1433B_MACFA Loading...

Isoform Short of 14-3-3 protein beta/alpha

Canonical isoform description: Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. Negative regulator of osteogenesis. Blocks the nuclear translocation of the phosphorylated form (by AKT1) of SRPK2 and antagonizes its stimulatory effect on cyclin D1 expression resulting in blockage of neuronal apoptosis elicited by SRPK2. Negative regulator of signaling cascades that mediate activation of MAP kinases via AKAP13.

AlphaFold DB (A0A6P4WQC3), UniProt , Accession Q4R572-2 (canonical: Q4R572), Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene YWHAB, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	69.1	Low	93.7	Very high	155 Å²	155	69.4 Å²	69.4	76%	0.764	35%	0.348	S	S	*	.				0	135.3	0	-81.1	175.5	-84.9	0	0	106.6	E5 L6	M1-E5 VanDerWaalsContact CA-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; M1-L6 HydrophobicContact CB-CD1 4.4Å; M1-L6 HydrophobicContact CB-CD2 3.86Å; M1-L6 HydrophobicContact CB-CG 3.82Å; M1-L6 HydrophobicContact CE-CD2 4Å; M1-L6 HydrophobicContact CG-CD2 4.49Å; M1-L6 HydrophobicContact SD-CD2 3.86Å
2	D	91.2	Very high	94.1	Very high	101 Å²	101	71.5 Å²	71.5	54%	0.54	36%	0.36	S	S	.	.			trans	-67.2	155.7	174.9	178.8	36.3	0	0	0	110.5	S4 E5 L6	D2-S4 PolarHBondContact O-N 2.93Å; D2-E5 HydrophobicContact CB-CG 4.15Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.44Å; D2-E5 VanDerWaalsContact O-N 3.14Å; D2-L6 PolarHBondContact O-N 2.83Å; D2-L6 VanDerWaalsContact O-N 3.09Å
3	K	93.3	Very high	94.4	Very high	44 Å²	44	66.6 Å²	66.6	19%	0.191	34%	0.338	C	S	.	.	H	α-helix	trans	-53.6	-44.3	179	-166.5	-173.1	-178.2	-161.8	0	111	E5 L6 V7 V29 E40	K3-E5 PolarHBondContact O-N 3.08Å; K3-L6 PolarHBondContact O-N 2.99Å; K3-V7 WeakPolarHBondContact O-CG2 3.43Å; K3-V7 PolarHBondContact O-N 3.31Å; K3-V29 HydrophobicContact CD-CG1 4.47Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; K3-E40 VanDerWaalsContact CE-CD 3.47Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 WeakPolarHBondContact CE-OE2 3.47Å; K3-E40 IonicContact NZ-OE1 3.54Å; K3-E40 PolarHBondContact NZ-OE1 3.49Å; K3-E40 IonicContact NZ-OE2 3.47Å; K3-E40 PolarHBondContact NZ-OE2 3.44Å
4	S	94.5	Very high	94.6	Very high	83 Å²	83	66.9 Å²	66.9	58%	0.58	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-41.8	-180	-176.5	0	0	0	0	112.3	D2 V7 Q8	D2-S4 PolarHBondContact O-N 2.93Å; S4-V7 PolarHBondContact O-N 3.41Å; S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 3.08Å
5	E	96.1	Very high	94.8	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177.3	-63.8	176.7	152.5	0	0	111.7	M1 D2 K3 Q8 K9	M1-E5 VanDerWaalsContact CA-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.3Å; D2-E5 HydrophobicContact CB-CG 4.15Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.42Å; D2-E5 PolarHBondContact O-N 3.44Å; D2-E5 VanDerWaalsContact O-N 3.14Å; K3-E5 PolarHBondContact O-N 3.08Å; E5-Q8 PolarHBondContact O-N 3.46Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.94Å
6	L	97.2	Very high	95	Very high	9 Å²	9	72.1 Å²	72.1	5%	0.047	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-42.8	178.1	-70.3	169.9	0	0	0	111.9	M1 D2 K3 Q8 K9 A10 A28 V29	M1-L6 HydrophobicContact CB-CD1 4.4Å; M1-L6 HydrophobicContact CB-CD2 3.86Å; M1-L6 HydrophobicContact CB-CG 3.82Å; M1-L6 HydrophobicContact CE-CD2 4Å; M1-L6 HydrophobicContact CG-CD2 4.49Å; M1-L6 HydrophobicContact SD-CD2 3.86Å; D2-L6 PolarHBondContact O-N 2.83Å; D2-L6 VanDerWaalsContact O-N 3.09Å; K3-L6 PolarHBondContact O-N 2.99Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-K9 WeakPolarHBondContact O-CB 2.92Å; L6-K9 PolarHBondContact O-N 3.42Å; L6-A10 PolarHBondContact O-N 3.07Å; L6-A28 HydrophobicContact CD1-CB 3.81Å; L6-A28 HydrophobicContact CD2-CB 4.17Å; L6-V29 HydrophobicContact CB-CG2 3.43Å; L6-V29 VanDerWaalsContact CB-CG2 3.43Å; L6-V29 HydrophobicContact CD1-CG2 4.05Å; L6-V29 HydrophobicContact CG-CG2 4.39Å
7	V	97.5	Very high	95.2	Very high	12 Å²	12	76.4 Å²	76.4	7%	0.073	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-42.9	175.4	172.5	0	0	0	0	110.6	K3 S4 K9 A10 K11 V29 E40 L43	K3-V7 WeakPolarHBondContact O-CG2 3.43Å; K3-V7 PolarHBondContact O-N 3.31Å; S4-V7 PolarHBondContact O-N 3.41Å; V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 2.92Å; V7-A10 WeakPolarHBondContact O-CB 3.41Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 3.48Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.95Å; V7-E40 HydrophobicContact CG2-CG 4.04Å; V7-L43 HydrophobicContact CG1-CD1 3.98Å
8	Q	97.8	Very high	95.3	Very high	101 Å²	101	80.1 Å²	80.1	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-63.1	-39.9	176	-174.5	59.2	23.5	0	0	111.7	S4 E5 L6 K11 L12	S4-Q8 WeakPolarHBondContact O-CB 3.3Å; S4-Q8 PolarHBondContact O-N 3.08Å; E5-Q8 PolarHBondContact O-N 3.46Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-K11 PolarHBondContact O-N 3.21Å; Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.39Å
9	K	97.6	Very high	95.5	Very high	98 Å²	98	78.9 Å²	78.9	43%	0.426	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-41.3	174	-174.2	-179.9	178	-175	0	111.8	E5 L6 V7 L12 A13	E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 2.94Å; L6-K9 WeakPolarHBondContact O-CB 2.92Å; L6-K9 PolarHBondContact O-N 3.42Å; V7-K9 VanDerWaalsContact C-N 3.32Å; V7-K9 PolarHBondContact O-N 2.92Å; K9-L12 PolarHBondContact O-N 2.98Å; K9-A13 WeakPolarHBondContact O-CB 3.42Å; K9-A13 PolarHBondContact O-N 3.1Å
10	A	98.3	Very high	95.6	Very high	0 Å²	0	79 Å²	79	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.3	0	0	0	0	0	111.7	L6 V7 L12 A13 E14 M22 A25 M26	L6-A10 PolarHBondContact O-N 3.07Å; V7-A10 WeakPolarHBondContact O-CB 3.41Å; V7-A10 PolarHBondContact O-N 3.19Å; A10-L12 PolarHBondContact O-N 3.01Å; A10-A13 PolarHBondContact O-N 3.27Å; A10-E14 PolarHBondContact O-N 3.06Å; A10-M22 HydrophobicContact CB-CG 4.09Å; A10-A25 HydrophobicContact CB-CB 4.1Å; A10-M26 HydrophobicContact CB-CG 3.78Å; A10-M26 HydrophobicContact CB-SD 3.57Å; A10-M26 VanDerWaalsContact CB-SD 3.57Å
11	K	98.1	Very high	95.7	Very high	49 Å²	49	77.6 Å²	77.6	21%	0.213	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-41.1	175.4	-69	175.7	177.5	-176.6	0	112.8	V7 Q8 E14 Q15 E39 L43	V7-K11 WeakPolarHBondContact O-CG 3.33Å; V7-K11 PolarHBondContact O-N 3.48Å; Q8-K11 PolarHBondContact O-N 3.21Å; K11-E14 PolarHBondContact O-N 2.97Å; K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å; K11-Q15 VanDerWaalsContact O-N 3.13Å; K11-E39 WeakPolarHBondContact CE-OE1 3.46Å; K11-E39 IonicContact NZ-OE1 2.83Å; K11-E39 PolarHBondContact NZ-OE1 3.12Å; K11-E39 IonicContact NZ-OE2 3.64Å; K11-E39 PolarHBondContact NZ-OE2 3.39Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.18Å
12	L	98.3	Very high	97.1	Very high	95 Å²	95	70.2 Å²	70.2	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-40	174.6	-69.7	172	0	0	0	111.6	Q8 K9 A10 Q15 A16	Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.39Å; K9-L12 PolarHBondContact O-N 2.98Å; A10-L12 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 2.88Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-A16 VanDerWaalsContact O-N 3.09Å
13	A	98.3	Very high	97.4	Very high	8 Å²	8	65.7 Å²	65.7	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-38.3	176.7	0	0	0	0	0	112	K9 A10 A16 E17 R18 D21 M22	K9-A13 WeakPolarHBondContact O-CB 3.42Å; K9-A13 PolarHBondContact O-N 3.1Å; A10-A13 PolarHBondContact O-N 3.27Å; A13-A16 CarbonylContact O-C 3.48Å; A13-A16 PolarHBondContact O-N 3.41Å; A13-E17 PolarHBondContact O-N 3.35Å; A13-R18 HydrophobicContact CB-CB 4.49Å; A13-R18 PolarHBondContact O-N 3.05Å; A13-D21 HydrophobicContact CB-CB 4.04Å; A13-M22 HydrophobicContact CB-CB 3.82Å; A13-M22 HydrophobicContact CB-CG 4.5Å
14	E	97.9	Very high	97.7	Very high	71 Å²	71	66.5 Å²	66.5	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-49.1	172.7	-175.1	177.9	-149.9	0	0	111.6	A10 K11 A16 E17 M22 L43	A10-E14 PolarHBondContact O-N 3.06Å; K11-E14 PolarHBondContact O-N 2.97Å; E14-A16 PolarHBondContact O-N 3.42Å; E14-E17 PolarHBondContact O-N 3.3Å; E14-M22 HydrophobicContact CB-CE 3.84Å; E14-M22 HydrophobicContact CB-SD 3.81Å; E14-M22 HydrophobicContact CG-CE 4.06Å; E14-M22 HydrophobicContact CG-SD 4.24Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.38Å
15	Q	97.5	Very high	97.8	Very high	155 Å²	155	62.8 Å²	62.8	72%	0.724	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-28.1	177.9	-69.6	176.4	15.9	0	0	113.3	K11 L12 E17	K11-Q15 WeakPolarHBondContact O-CG 3.37Å; K11-Q15 PolarHBondContact O-N 3.34Å; K11-Q15 VanDerWaalsContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 2.88Å; Q15-E17 VanDerWaalsContact C-N 3.35Å
16	A	97.8	Very high	97.9	Very high	62 Å²	62	57.5 Å²	57.5	51%	0.512	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	4.1	176.3	0	0	0	0	0	113.2	L12 A13 E14 R18	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.44Å; L12-A16 VanDerWaalsContact O-N 3.09Å; A13-A16 CarbonylContact O-C 3.48Å; A13-A16 PolarHBondContact O-N 3.41Å; E14-A16 PolarHBondContact O-N 3.42Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 2.83Å; A16-R18 VanDerWaalsContact O-N 3.08Å
17	E	97.4	Very high	98	Very high	144 Å²	144	59.8 Å²	59.8	67%	0.673	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	25.3	-175.3	-57.6	-177	-176.1	0	0	113.8	A13 E14 Q15 Y19	A13-E17 PolarHBondContact O-N 3.35Å; E14-E17 PolarHBondContact O-N 3.3Å; Q15-E17 VanDerWaalsContact C-N 3.35Å; E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.47Å; E17-Y19 VanDerWaalsContact O-CD2 3.3Å; E17-Y19 WeakPolarHBondContact O-CD2 3.38Å; E17-Y19 PolarHBondContact O-N 3.5Å
18	R	98.2	Very high	98	Very high	144 Å²	144	60.8 Å²	60.8	54%	0.543	31%	0.309	S	S	.	.			trans	-90.4	67.5	177	-68.5	-161.6	63.5	-177.2	-9.4	110.5	A13 A16 D20 D21 M22	A13-R18 HydrophobicContact CB-CB 4.49Å; A13-R18 PolarHBondContact O-N 3.05Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 2.83Å; A16-R18 VanDerWaalsContact O-N 3.08Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.19Å; R18-D21 HydrophobicContact CB-CB 4.17Å; R18-D21 IonicContact CZ-OD1 2.91Å; R18-D21 IonicContact CZ-OD2 3.99Å; R18-D21 IonicContact NE-OD1 2.69Å; R18-D21 IonicContact NE-OD2 3.72Å; R18-D21 PolarHBondContact NE-OD2 2.88Å; R18-D21 VanDerWaalsContact NE-OD2 3.08Å; R18-D21 IonicContact NH1-OD2 4Å; R18-D21 PolarHBondContact NH1-OD2 3.23Å; R18-D21 IonicContact NH2-OD1 3.71Å; R18-D21 PolarHBondContact NH2-OD1 2.94Å; R18-D21 IonicContact NH2-OD2 3.8Å; R18-D21 PolarHBondContact NH2-OD2 3.35Å; R18-D21 WeakPolarHBondContact O-CB 3.44Å; R18-D21 PolarHBondContact O-N 3.32Å; R18-M22 PolarHBondContact O-N 3.33Å
19	Y	98.1	Very high	98	Very high	57 Å²	57	56 Å²	56	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-28.1	-171.8	-57.8	-72.2	0	0	0	114.5	E17 M22 A23 N50 V51	E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 HydrophobicContact CB-CE2 3.9Å; E17-Y19 HydrophobicContact CG-CE2 4.47Å; E17-Y19 VanDerWaalsContact O-CD2 3.3Å; E17-Y19 WeakPolarHBondContact O-CD2 3.38Å; E17-Y19 PolarHBondContact O-N 3.5Å; Y19-M22 HydrophobicContact CD1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.14Å; Y19-A23 WeakPolarHBondContact O-CB 3.33Å; Y19-A23 PolarHBondContact O-N 2.94Å; Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.35Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.48Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.35Å; Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å
20	D	97.6	Very high	98	Very high	80 Å²	80	51.4 Å²	51.4	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-40.9	172.7	-61.9	-85.2	0	0	0	111.6	R18 M22 A23 A24 R55	R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.19Å; D20-M22 VanDerWaalsContact C-N 3.34Å; D20-A23 PolarHBondContact O-N 3.05Å; D20-A24 PolarHBondContact O-N 3.32Å; D20-R55 IonicContact OD1-CZ 2.82Å; D20-R55 IonicContact OD1-NH1 3.68Å; D20-R55 PolarHBondContact OD1-NH1 3.46Å; D20-R55 IonicContact OD1-NH2 2.75Å; D20-R55 PolarHBondContact OD1-NH2 3.06Å; D20-R55 IonicContact OD2-NH1 2.63Å; D20-R55 IonicContact OD2-NH2 3.48Å
21	D	98.1	Very high	97.9	Very high	51 Å²	51	55.4 Å²	55.4	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.1	-67.7	14.2	0	0	0	111.1	A13 R18 A24 A25	A13-D21 HydrophobicContact CB-CB 4.04Å; R18-D21 HydrophobicContact CB-CB 4.17Å; R18-D21 IonicContact CZ-OD1 2.91Å; R18-D21 IonicContact CZ-OD2 3.99Å; R18-D21 IonicContact NE-OD1 2.69Å; R18-D21 IonicContact NE-OD2 3.72Å; R18-D21 PolarHBondContact NE-OD2 2.88Å; R18-D21 VanDerWaalsContact NE-OD2 3.08Å; R18-D21 IonicContact NH1-OD2 4Å; R18-D21 PolarHBondContact NH1-OD2 3.23Å; R18-D21 IonicContact NH2-OD1 3.71Å; R18-D21 PolarHBondContact NH2-OD1 2.94Å; R18-D21 IonicContact NH2-OD2 3.8Å; R18-D21 PolarHBondContact NH2-OD2 3.35Å; R18-D21 WeakPolarHBondContact O-CB 3.44Å; R18-D21 PolarHBondContact O-N 3.32Å; D21-A24 PolarHBondContact O-N 2.9Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.28Å
22	M	98.3	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-46	175.9	-168.3	-170.7	-178.9	0	0	110.9	A10 A13 E14 R18 Y19 D20 A25 M26 L43 V46 A47	A10-M22 HydrophobicContact CB-CG 4.09Å; A13-M22 HydrophobicContact CB-CB 3.82Å; A13-M22 HydrophobicContact CB-CG 4.5Å; E14-M22 HydrophobicContact CB-CE 3.84Å; E14-M22 HydrophobicContact CB-SD 3.81Å; E14-M22 HydrophobicContact CG-CE 4.06Å; E14-M22 HydrophobicContact CG-SD 4.24Å; R18-M22 PolarHBondContact O-N 3.33Å; Y19-M22 HydrophobicContact CD1-SD 4.09Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.14Å; D20-M22 VanDerWaalsContact C-N 3.34Å; M22-A25 PolarHBondContact O-N 3.06Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.21Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.47Å; M22-L43 VanDerWaalsContact CE-CD2 3.47Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.31Å; M22-L43 WeakPolarHBondContact CE-O 3.46Å; M22-V46 HydrophobicContact CE-CB 4.26Å; M22-V46 HydrophobicContact CE-CG1 4.17Å; M22-V46 HydrophobicContact SD-CG1 4.42Å; M22-A47 HydrophobicContact CB-CB 3.97Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.64Å
23	A	98.1	Very high	97.5	Very high	6 Å²	6	53.4 Å²	53.4	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-44.8	178.4	0	0	0	0	0	111	Y19 D20 A25 M26 K27 A47 Y48 V51	Y19-A23 WeakPolarHBondContact O-CB 3.33Å; Y19-A23 PolarHBondContact O-N 2.94Å; D20-A23 PolarHBondContact O-N 3.05Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 2.86Å; A23-M26 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.5Å; A23-K27 PolarHBondContact O-N 3.09Å; A23-A47 HydrophobicContact CB-CB 4.1Å; A23-Y48 HydrophobicContact CB-CD1 4.27Å; A23-Y48 HydrophobicContact CB-CD2 4.36Å; A23-Y48 HydrophobicContact CB-CE1 4.17Å; A23-Y48 HydrophobicContact CB-CE2 4.21Å; A23-Y48 HydrophobicContact CB-CG 4.39Å; A23-V51 HydrophobicContact CB-CG2 4.17Å
24	A	98.2	Very high	97.1	Very high	61 Å²	61	58.8 Å²	58.8	50%	0.504	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-40.6	176.4	0	0	0	0	0	112.7	D20 D21 A28	D20-A24 PolarHBondContact O-N 3.32Å; D21-A24 PolarHBondContact O-N 2.9Å; A24-A28 PolarHBondContact O-N 3.26Å
25	A	98.3	Very high	97	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-66.7	-45.5	176.1	0	0	0	0	0	112	A10 D21 M22 A23 A28 V29	A10-A25 HydrophobicContact CB-CB 4.1Å; D21-A25 WeakPolarHBondContact O-CB 3.41Å; D21-A25 PolarHBondContact O-N 3.28Å; M22-A25 PolarHBondContact O-N 3.06Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 2.86Å; A25-A28 PolarHBondContact O-N 2.99Å; A25-V29 WeakPolarHBondContact O-CG2 3.43Å; A25-V29 PolarHBondContact O-N 2.69Å
26	M	98.4	Very high	96.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.1	-30.3	-179.6	-69	-52.6	-52.7	0	0	113.2	A10 M22 A23 V29 T30 E40 L43 L44	A10-M26 HydrophobicContact CB-CG 3.78Å; A10-M26 HydrophobicContact CB-SD 3.57Å; A10-M26 VanDerWaalsContact CB-SD 3.57Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.21Å; A23-M26 PolarHBondContact O-N 3.4Å; M26-V29 HydrophobicContact CE-CB 4.34Å; M26-V29 HydrophobicContact CE-CG1 4.34Å; M26-V29 PolarHBondContact O-N 3.23Å; M26-V29 HydrophobicContact SD-CG2 4.48Å; M26-T30 WeakPolarHBondContact O-CB 2.94Å; M26-T30 PolarHBondContact O-N 2.63Å; M26-T30 PolarHBondContact O-OG1 2.92Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.34Å; M26-L43 HydrophobicContact CE-CB 4.05Å; M26-L43 HydrophobicContact CG-CB 4.18Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.29Å; M26-L44 HydrophobicContact CB-CB 4.32Å; M26-L44 HydrophobicContact CB-CD1 3.68Å; M26-L44 HydrophobicContact CE-CB 4.24Å
27	K	98.2	Very high	96.8	Very high	58 Å²	58	51.2 Å²	51.2	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-51.5	167.5	175.4	167.2	178.8	175.3	0	110.8	A23 V29 T30 E31 D96 L100	A23-K27 VanDerWaalsContact O-CB 3.28Å; A23-K27 WeakPolarHBondContact O-CB 3.5Å; A23-K27 PolarHBondContact O-N 3.09Å; K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.25Å; K27-T30 WeakPolarHBondContact O-CB 3.4Å; K27-T30 PolarHBondContact O-N 3.18Å; K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.33Å; K27-E31 IonicContact NZ-OE1 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.22Å; K27-E31 PolarHBondContact O-N 3.08Å; K27-D96 WeakPolarHBondContact CD-OD1 3.43Å; K27-D96 VanDerWaalsContact CE-OD1 3.22Å; K27-D96 WeakPolarHBondContact CE-OD1 3.43Å; K27-D96 IonicContact NZ-OD1 2.87Å; K27-D96 PolarHBondContact NZ-OD1 3.21Å; K27-D96 IonicContact NZ-OD2 3.65Å; K27-L100 HydrophobicContact CB-CD1 4.21Å; K27-L100 HydrophobicContact CG-CD1 4.07Å; K27-L100 HydrophobicContact CG-CD2 4.15Å
28	A	97.9	Very high	96.5	Very high	33 Å²	33	49.6 Å²	49.6	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-29.5	178.5	0	0	0	0	0	113.2	L6 A24 A25 Q32	L6-A28 HydrophobicContact CD1-CB 3.81Å; L6-A28 HydrophobicContact CD2-CB 4.17Å; A24-A28 PolarHBondContact O-N 3.26Å; A25-A28 PolarHBondContact O-N 2.99Å; A28-Q32 WeakPolarHBondContact O-CG 3.39Å
29	V	97.6	Very high	96.4	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-67.5	-44.9	170.5	171.9	0	0	0	0	110.8	K3 L6 V7 A25 M26 K27 Q32 L36	K3-V29 HydrophobicContact CD-CG1 4.47Å; K3-V29 HydrophobicContact CG-CG1 4.01Å; L6-V29 HydrophobicContact CB-CG2 3.43Å; L6-V29 VanDerWaalsContact CB-CG2 3.43Å; L6-V29 HydrophobicContact CD1-CG2 4.05Å; L6-V29 HydrophobicContact CG-CG2 4.39Å; V7-V29 HydrophobicContact CG2-CG1 4.37Å; V7-V29 HydrophobicContact CG2-CG2 3.95Å; A25-V29 WeakPolarHBondContact O-CG2 3.43Å; A25-V29 PolarHBondContact O-N 2.69Å; M26-V29 HydrophobicContact CE-CB 4.34Å; M26-V29 HydrophobicContact CE-CG1 4.34Å; M26-V29 PolarHBondContact O-N 3.23Å; M26-V29 HydrophobicContact SD-CG2 4.48Å; K27-V29 VanDerWaalsContact C-N 3.25Å; K27-V29 PolarHBondContact O-N 3.25Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.36Å; V29-L36 HydrophobicContact CG1-CD2 3.82Å
30	T	97.5	Very high	96.3	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-41.5	-177.4	-57.8	0	0	0	0	112	M26 K27 Q32 G33 L100 Y104 L105	M26-T30 WeakPolarHBondContact O-CB 2.94Å; M26-T30 PolarHBondContact O-N 2.63Å; M26-T30 PolarHBondContact O-OG1 2.92Å; K27-T30 WeakPolarHBondContact O-CB 3.4Å; K27-T30 PolarHBondContact O-N 3.18Å; T30-Q32 PolarHBondContact O-N 3.01Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; T30-G33 PolarHBondContact O-N 2.63Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.98Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; T30-Y104 HydrophobicContact CG2-CG 4.42Å; T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.58Å; T30-L105 HydrophobicContact CG2-CG 3.74Å
31	E	97.1	Very high	96.3	Very high	84 Å²	84	43 Å²	43	39%	0.393	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.8	-179.7	-69.9	176.7	151.5	0	0	113.8	K27 G33 L100 Y104	K27-E31 WeakPolarHBondContact CE-OE1 3.43Å; K27-E31 HydrophobicContact CG-CG 4.33Å; K27-E31 IonicContact NZ-OE1 3.25Å; K27-E31 WeakPolarHBondContact O-CG 3.22Å; K27-E31 PolarHBondContact O-N 3.08Å; E31-G33 PolarHBondContact O-N 3.46Å; E31-L100 HydrophobicContact CG-CD2 3.83Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å
32	Q	94.8	Very high	96.1	Very high	72 Å²	72	44.9 Å²	44.9	34%	0.336	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.2	169.7	-62.9	178.1	23.8	0	0	112.6	A28 V29 T30 H34	A28-Q32 WeakPolarHBondContact O-CG 3.39Å; V29-Q32 WeakPolarHBondContact O-CB 3.32Å; V29-Q32 PolarHBondContact O-N 3.36Å; T30-Q32 PolarHBondContact O-N 3.01Å; T30-Q32 VanDerWaalsContact O-N 3.13Å; Q32-H34 VanDerWaalsContact C-N 3.35Å; Q32-H34 PolarHBondContact O-N 3.27Å
33	G	91.4	Very high	96.1	Very high	29 Å²	29	45.3 Å²	45.3	30%	0.299	25%	0.248	S	C	.	.			trans	80.4	8.3	170.7	0	0	0	0	0	115.6	T30 E31 N108	T30-G33 PolarHBondContact O-N 2.63Å; E31-G33 PolarHBondContact O-N 3.46Å; G33-N108 PolarHBondContact O-ND2 3.14Å
34	H	91.7	Very high	96.1	Very high	121 Å²	121	45.1 Å²	45.1	56%	0.56	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-87.7	149.6	172.6	-60.7	-53.1	0	0	0	111.3	Q32 L36	Q32-H34 VanDerWaalsContact C-N 3.35Å; Q32-H34 PolarHBondContact O-N 3.27Å; H34-L36 PolarHBondContact O-N 3.09Å
35	E	94.1	Very high	96	Very high	73 Å²	73	43.9 Å²	43.9	34%	0.341	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-60.2	132.3	172.3	-171.5	171.5	-158.4	0	0	110.1	T110	E35-T110 PolarHBondContact OE1-N 3.28Å; E35-T110 PolarHBondContact OE1-OG1 3Å; E35-T110 VanDerWaalsContact OE1-OG1 3.06Å; E35-T110 PolarHBondContact OE2-OG1 3.28Å
36	L	96.3	Very high	96	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-78	136.8	179.1	-60.3	-172.6	0	0	0	111.1	V29 H34 E40 R41 L44 L105	V29-L36 HydrophobicContact CG1-CD2 3.82Å; H34-L36 PolarHBondContact O-N 3.09Å; L36-E40 WeakPolarHBondContact CA-OE2 3.24Å; L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.48Å; L36-R41 PolarHBondContact O-NH2 3.04Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å
37	S	95.5	Very high	96	Very high	52 Å²	52	45.5 Å²	45.5	36%	0.364	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-63.9	165.9	168.2	79.6	0	0	0	0	111.1	E39 E40 R41	S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 2.81Å; S37-E39 PolarHBondContact OG-N 2.96Å; S37-E40 PolarHBondContact N-OE2 3.5Å; S37-E40 PolarHBondContact O-N 2.61Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 3.02Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.34Å
38	N	91.9	Very high	96	Very high	110 Å²	110	43 Å²	43	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	-59.4	-38.6	176.5	-73.4	-13.2	0	0	0	112.2	R41 N42	N38-R41 PolarHBondContact OD1-NH1 3.42Å; N38-R41 VanDerWaalsContact OD1-NH1 3.13Å; N38-N42 WeakPolarHBondContact O-CB 3.28Å; N38-N42 PolarHBondContact O-N 3.25Å; N38-N42 PolarHBondContact O-ND2 3.19Å
39	E	94.8	Very high	95.9	Very high	105 Å²	105	47 Å²	47	49%	0.491	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-47.5	176.2	-175.3	-180	-151.2	0	0	111.2	K11 S37 R41 N42 L43	K11-E39 WeakPolarHBondContact CE-OE1 3.46Å; K11-E39 IonicContact NZ-OE1 2.83Å; K11-E39 PolarHBondContact NZ-OE1 3.12Å; K11-E39 IonicContact NZ-OE2 3.64Å; K11-E39 PolarHBondContact NZ-OE2 3.39Å; S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 2.81Å; S37-E39 PolarHBondContact OG-N 2.96Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.28Å; E39-N42 PolarHBondContact O-N 3.34Å; E39-L43 HydrophobicContact CG-CD1 4.31Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.03Å
40	E	97.2	Very high	95.9	Very high	22 Å²	22	49.2 Å²	49.2	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-40.5	179.1	-69.4	165.4	171.6	0	0	111.7	K3 V7 M26 L36 S37 N42 L43 L44	K3-E40 VanDerWaalsContact CE-CD 3.47Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 WeakPolarHBondContact CE-OE2 3.47Å; K3-E40 IonicContact NZ-OE1 3.54Å; K3-E40 PolarHBondContact NZ-OE1 3.49Å; K3-E40 IonicContact NZ-OE2 3.47Å; K3-E40 PolarHBondContact NZ-OE2 3.44Å; V7-E40 HydrophobicContact CG2-CG 4.04Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.34Å; L36-E40 WeakPolarHBondContact CA-OE2 3.24Å; L36-E40 HydrophobicContact CB-CB 3.97Å; L36-E40 HydrophobicContact CD2-CB 4.21Å; L36-E40 HydrophobicContact CG-CB 4.48Å; S37-E40 PolarHBondContact N-OE2 3.5Å; S37-E40 PolarHBondContact O-N 2.61Å; S37-E40 WeakPolarHBondContact OG-CG 3.28Å; S37-E40 PolarHBondContact OG-N 3.02Å; E40-N42 VanDerWaalsContact C-N 3.35Å; E40-L43 PolarHBondContact O-N 3.43Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.24Å
41	R	96.8	Very high	95.9	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-42.6	175.3	-172.8	-177.6	-48.5	137.2	13.3	111.8	L36 S37 N38 E39 L44 S45 S114 F117 Y118	L36-R41 PolarHBondContact O-NH2 3.04Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.46Å; S37-R41 PolarHBondContact O-N 3.34Å; N38-R41 PolarHBondContact OD1-NH1 3.42Å; N38-R41 VanDerWaalsContact OD1-NH1 3.13Å; E39-R41 VanDerWaalsContact C-N 3.33Å; E39-R41 PolarHBondContact O-N 3.28Å; R41-L44 PolarHBondContact O-N 2.87Å; R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 3.05Å; R41-S114 VanDerWaalsContact NH2-CB 3.26Å; R41-F117 HydrophobicContact CG-CD1 3.59Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.35Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.74Å; R41-Y118 HydrophobicContact CG-CE1 3.74Å; R41-Y118 PolarHBondContact NE-OH 2.95Å
42	N	94.8	Very high	95.9	Very high	91 Å²	91	45.5 Å²	45.5	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-44.8	176.2	-74	-13.4	0	0	0	111.3	N38 E39 E40 L44 S45 V46	N38-N42 WeakPolarHBondContact O-CB 3.28Å; N38-N42 PolarHBondContact O-N 3.25Å; N38-N42 PolarHBondContact O-ND2 3.19Å; E39-N42 PolarHBondContact O-N 3.34Å; E40-N42 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 3.38Å; N42-S45 PolarHBondContact O-N 2.91Å; N42-V46 WeakPolarHBondContact O-CB 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.94Å
43	L	97.9	Very high	96	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.7	-70.9	169.4	0	0	0	111.7	V7 K11 E14 M22 M26 E39 E40 S45 V46 A47	V7-L43 HydrophobicContact CG1-CD1 3.98Å; K11-L43 HydrophobicContact CG-CD1 4.12Å; K11-L43 HydrophobicContact CG-CD2 4.18Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.38Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.47Å; M22-L43 VanDerWaalsContact CE-CD2 3.47Å; M22-L43 HydrophobicContact CE-CG 4.35Å; M22-L43 VanDerWaalsContact CE-O 3.31Å; M22-L43 WeakPolarHBondContact CE-O 3.46Å; M26-L43 HydrophobicContact CE-CB 4.05Å; M26-L43 HydrophobicContact CG-CB 4.18Å; M26-L43 HydrophobicContact SD-CB 3.83Å; M26-L43 HydrophobicContact SD-CD1 4.29Å; E39-L43 HydrophobicContact CG-CD1 4.31Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.03Å; E40-L43 PolarHBondContact O-N 3.43Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.44Å; L43-V46 PolarHBondContact O-N 2.92Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.27Å
44	L	98	Very high	96.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-47.2	176.5	-178.1	74.7	0	0	0	111.3	M26 L36 E40 R41 N42 A47 Y48 L105	M26-L44 HydrophobicContact CB-CB 4.32Å; M26-L44 HydrophobicContact CB-CD1 3.68Å; M26-L44 HydrophobicContact CE-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.24Å; R41-L44 PolarHBondContact O-N 2.87Å; N42-L44 PolarHBondContact O-N 3.38Å; L44-A47 PolarHBondContact O-N 3.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.76Å; L44-Y48 HydrophobicContact CD1-CE2 3.55Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.42Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; L44-L105 HydrophobicContact CD2-CD1 3.6Å
45	S	96.5	Very high	96.5	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-45.6	-179.8	-178.4	0	0	0	0	112.3	R41 N42 L43 A47 K49	R41-S45 WeakPolarHBondContact O-CB 3.41Å; R41-S45 PolarHBondContact O-N 3.05Å; N42-S45 PolarHBondContact O-N 2.91Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.44Å; S45-A47 PolarHBondContact O-N 3.35Å; S45-K49 WeakPolarHBondContact O-CB 3.36Å; S45-K49 PolarHBondContact O-N 2.91Å
46	V	97.2	Very high	96.7	Very high	39 Å²	39	39.1 Å²	39.1	24%	0.236	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-44.2	177.2	170.1	0	0	0	0	111.1	M22 N42 L43 N50	M22-V46 HydrophobicContact CE-CB 4.26Å; M22-V46 HydrophobicContact CE-CG1 4.17Å; M22-V46 HydrophobicContact SD-CG1 4.42Å; N42-V46 WeakPolarHBondContact O-CB 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 2.92Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.43Å
47	A	98.2	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-59.6	179.8	0	0	0	0	0	111.3	M22 A23 L43 L44 S45 K49 N50 V51	M22-A47 HydrophobicContact CB-CB 3.97Å; M22-A47 HydrophobicContact CE-CB 4.27Å; M22-A47 HydrophobicContact CG-CB 3.63Å; M22-A47 HydrophobicContact SD-CB 3.64Å; A23-A47 HydrophobicContact CB-CB 4.1Å; L43-A47 VanDerWaalsContact O-CB 3.31Å; L43-A47 WeakPolarHBondContact O-CB 3.48Å; L43-A47 PolarHBondContact O-N 3.27Å; L44-A47 PolarHBondContact O-N 3.33Å; S45-A47 PolarHBondContact O-N 3.35Å; A47-K49 PolarHBondContact O-N 2.73Å; A47-N50 PolarHBondContact O-N 3.21Å; A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 2.89Å; A47-V51 VanDerWaalsContact O-N 3.08Å
48	Y	98.3	Very high	96.8	Very high	6 Å²	6	42.5 Å²	42.5	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-70.9	-32.6	-175.7	-78.2	-81.1	0	0	0	112.8	A23 L44 N50 V51 V52 I93 D96 V97 L100 Y125	A23-Y48 HydrophobicContact CB-CD1 4.27Å; A23-Y48 HydrophobicContact CB-CD2 4.36Å; A23-Y48 HydrophobicContact CB-CE1 4.17Å; A23-Y48 HydrophobicContact CB-CE2 4.21Å; A23-Y48 HydrophobicContact CB-CG 4.39Å; L44-Y48 HydrophobicContact CD1-CD2 3.76Å; L44-Y48 HydrophobicContact CD1-CE2 3.55Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.47Å; L44-Y48 WeakPolarHBondContact O-CD2 3.42Å; L44-Y48 PolarHBondContact O-N 3.03Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.85Å; Y48-V51 PolarHBondContact O-N 2.8Å; Y48-V52 WeakPolarHBondContact O-CB 3.14Å; Y48-V52 VanDerWaalsContact O-CG1 3.25Å; Y48-V52 WeakPolarHBondContact O-CG1 3.39Å; Y48-V52 PolarHBondContact O-N 2.69Å; Y48-I93 HydrophobicContact CD1-CG2 4.18Å; Y48-D96 WeakPolarHBondContact CE1-OD2 3.45Å; Y48-D96 PolarHBondContact OH-OD2 2.91Å; Y48-V97 HydrophobicContact CD1-CG2 3.15Å; Y48-V97 HydrophobicContact CD2-CG2 3.91Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.14Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; Y48-L100 HydrophobicContact CE2-CD1 4.12Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; Y48-Y125 VanDerWaalsContact C-OH 3.25Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.47Å; Y48-Y125 PolarHBondContact O-OH 3.31Å
49	K	96.6	Very high	97	Very high	116 Å²	116	39.2 Å²	39.2	50%	0.504	22%	0.217	S	C	.	.	H	α-helix	trans	-56.2	-45.5	173.1	-178.1	-164.1	72	170.7	0	111.3	S45 A47 G53	S45-K49 WeakPolarHBondContact O-CB 3.36Å; S45-K49 PolarHBondContact O-N 2.91Å; A47-K49 PolarHBondContact O-N 2.73Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.05Å
50	N	97.4	Very high	97	Very high	47 Å²	47	40 Å²	40	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-71.8	-42.5	-179.9	-78	-67.2	0	0	0	111.8	Y19 V46 A47 Y48 G53 A54	Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.59Å; Y19-N50 HydrophobicContact CE1-CB 3.95Å; Y19-N50 VanDerWaalsContact CE1-ND2 3.35Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.48Å; Y19-N50 HydrophobicContact CE2-CB 3.98Å; Y19-N50 HydrophobicContact CG-CB 3.35Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.43Å; A47-N50 PolarHBondContact O-N 3.21Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 2.85Å; N50-G53 PolarHBondContact O-N 3.48Å; N50-A54 PolarHBondContact O-N 3.13Å
51	V	97.7	Very high	96.9	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-53.8	176.9	171.9	0	0	0	0	110.9	Y19 A23 A47 Y48 R55 I93	Y19-V51 VanDerWaalsContact C-CG2 3.44Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å; A23-V51 HydrophobicContact CB-CG2 4.17Å; A47-V51 WeakPolarHBondContact O-CG2 3.41Å; A47-V51 PolarHBondContact O-N 2.89Å; A47-V51 VanDerWaalsContact O-N 3.08Å; Y48-V51 PolarHBondContact O-N 2.8Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.5Å; V51-R55 PolarHBondContact O-NH1 3.33Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.94Å; V51-I93 HydrophobicContact CG1-CG2 4.07Å
52	V	97.3	Very high	96.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-69.1	-35.8	-179.7	78	0	0	0	0	112.1	Y48 A54 R55 R56 L90 I93 Y125 Y128	Y48-V52 WeakPolarHBondContact O-CB 3.14Å; Y48-V52 VanDerWaalsContact O-CG1 3.25Å; Y48-V52 WeakPolarHBondContact O-CG1 3.39Å; Y48-V52 PolarHBondContact O-N 2.69Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.07Å; V52-R55 PolarHBondContact O-N 3.25Å; V52-R56 HydrophobicContact CG2-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.38Å; V52-R56 WeakPolarHBondContact O-CG 3.21Å; V52-R56 PolarHBondContact O-N 3.36Å; V52-L90 HydrophobicContact CG2-CG 4.41Å; V52-I93 HydrophobicContact CB-CG2 4.04Å; V52-I93 HydrophobicContact CG2-CG2 4.32Å; V52-Y125 HydrophobicContact CB-CE1 4.22Å; V52-Y125 HydrophobicContact CG1-CE1 4.11Å; V52-Y125 HydrophobicContact CG2-CE1 4.35Å; V52-Y128 HydrophobicContact CG1-CD2 4.08Å; V52-Y128 HydrophobicContact CG1-CE2 3.87Å; V52-Y128 HydrophobicContact CG2-CD2 3.95Å
53	G	96.8	Very high	96.7	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-60.6	-42.3	178.6	0	0	0	0	0	112.6	K49 N50 R56 S57	K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.05Å; N50-G53 PolarHBondContact O-N 3.48Å; G53-R56 PolarHBondContact O-N 2.88Å; G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 3.43Å
54	A	97.1	Very high	96.5	Very high	49 Å²	49	41.4 Å²	41.4	41%	0.405	23%	0.232	S	C	.	.	H	α-helix	trans	-60.4	-47.5	175	0	0	0	0	0	111.7	N50 V52 S57 S58	N50-A54 PolarHBondContact O-N 3.13Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.07Å; A54-S57 PolarHBondContact O-N 3.36Å; A54-S58 PolarHBondContact O-N 2.83Å; A54-S58 PolarHBondContact O-OG 2.84Å
55	R	97.4	Very high	96.1	Very high	53 Å²	53	45.6 Å²	45.6	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-40.3	-179	-80.6	70	179	-173	-8.6	111.6	D20 V51 V52 S57 S58 W59 I86 E89 I93	D20-R55 IonicContact OD1-CZ 2.82Å; D20-R55 IonicContact OD1-NH1 3.68Å; D20-R55 PolarHBondContact OD1-NH1 3.46Å; D20-R55 IonicContact OD1-NH2 2.75Å; D20-R55 PolarHBondContact OD1-NH2 3.06Å; D20-R55 IonicContact OD2-NH1 2.63Å; D20-R55 IonicContact OD2-NH2 3.48Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.5Å; V51-R55 PolarHBondContact O-NH1 3.33Å; V52-R55 PolarHBondContact O-N 3.25Å; R55-S57 PolarHBondContact O-N 3.44Å; R55-S58 PolarHBondContact O-N 3.31Å; R55-W59 WeakPolarHBondContact O-CB 3.48Å; R55-W59 PolarHBondContact O-N 3.16Å; R55-I86 HydrophobicContact CB-CG2 4.4Å; R55-I86 WeakPolarHBondContact O-CG2 3.31Å; R55-E89 HydrophobicContact CG-CB 4.35Å; R55-E89 IonicContact NE-OE2 2.81Å; R55-I93 HydrophobicContact CG-CD1 3.98Å
56	R	96.9	Very high	95.7	Very high	30 Å²	30	45.5 Å²	45.5	11%	0.113	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-43	173.6	-75.7	178.8	69.5	-129.5	8.9	112.3	V52 G53 W59 R60 L90 E131	V52-R56 HydrophobicContact CG2-CG 4.36Å; V52-R56 WeakPolarHBondContact O-CB 3.38Å; V52-R56 WeakPolarHBondContact O-CG 3.21Å; V52-R56 PolarHBondContact O-N 3.36Å; G53-R56 PolarHBondContact O-N 2.88Å; R56-W59 PolarHBondContact O-N 3.42Å; R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.51Å; R56-L90 HydrophobicContact CG-CG 4.49Å; R56-E131 IonicContact CZ-OE1 3.83Å; R56-E131 IonicContact CZ-OE2 2.63Å; R56-E131 VanDerWaalsContact CZ-OE2 3.31Å; R56-E131 IonicContact NE-OE1 2.84Å; R56-E131 IonicContact NE-OE2 3.81Å; R56-E131 PolarHBondContact NE-OE2 2.91Å; R56-E131 IonicContact NH2-OE1 3.89Å; R56-E131 PolarHBondContact NH2-OE1 3.26Å; R56-E131 IonicContact NH2-OE2 2.79Å; R56-E131 PolarHBondContact NH2-OE2 3.22Å
57	S	96.9	Very high	95.1	Very high	66 Å²	66	50.5 Å²	50.5	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-48	175.9	-172.8	0	0	0	0	111.5	G53 A54 R55 W59 R60 V61	G53-S57 WeakPolarHBondContact O-CB 3.3Å; G53-S57 PolarHBondContact O-N 3.43Å; A54-S57 PolarHBondContact O-N 3.36Å; R55-S57 PolarHBondContact O-N 3.44Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.43Å; S57-R60 PolarHBondContact O-N 2.84Å; S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.47Å
58	S	96.9	Very high	94.6	Very high	60 Å²	60	58.4 Å²	58.4	42%	0.42	30%	0.304	S	S	.	.	H	α-helix	trans	-58.7	-44.4	175.2	-60	0	0	0	0	112.2	A54 R55 R60 V61 I62	A54-S58 PolarHBondContact O-N 2.83Å; A54-S58 PolarHBondContact O-OG 2.84Å; R55-S58 PolarHBondContact O-N 3.31Å; S58-R60 PolarHBondContact O-N 3.25Å; S58-V61 PolarHBondContact O-N 3.34Å; S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 3.03Å
59	W	96.6	Very high	93.8	Very high	42 Å²	42	59.8 Å²	59.8	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-48.5	177.9	178.8	79.3	0	0	0	111.9	R55 R56 S57 V61 I62 S63 I86 E87 E131 V132	R55-W59 WeakPolarHBondContact O-CB 3.48Å; R55-W59 PolarHBondContact O-N 3.16Å; R56-W59 PolarHBondContact O-N 3.42Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.43Å; W59-V61 VanDerWaalsContact C-N 3.32Å; W59-V61 PolarHBondContact O-N 3.49Å; W59-I62 PolarHBondContact O-N 3.02Å; W59-S63 WeakPolarHBondContact O-CB 3.37Å; W59-S63 PolarHBondContact O-N 3.32Å; W59-S63 PolarHBondContact O-OG 3.1Å; W59-I86 HydrophobicContact CB-CG2 3.76Å; W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.45Å; W59-E131 VanDerWaalsContact CH2-O 3.29Å; W59-E131 WeakPolarHBondContact CH2-O 3.34Å; W59-V132 HydrophobicContact CD2-CG1 3.84Å; W59-V132 HydrophobicContact CE3-CG1 4.35Å; W59-V132 HydrophobicContact CG-CG1 4.21Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.48Å; W59-V132 HydrophobicContact CZ2-CG1 3.87Å
60	R	94.9	Very high	92.5	Very high	120 Å²	120	61.7 Å²	61.7	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-42.7	178.5	-71.8	179.9	-171.6	143.4	-9	112.8	R56 S57 S58 S64	R56-R60 WeakPolarHBondContact O-CG 3.35Å; R56-R60 PolarHBondContact O-N 3Å; S57-R60 PolarHBondContact O-N 2.84Å; S58-R60 PolarHBondContact O-N 3.25Å; R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 3.29Å
61	V	95.5	Very high	91.4	Very high	79 Å²	79	71.4 Å²	71.4	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-48.4	178.7	172.2	0	0	0	0	110.5	S57 S58 W59 S64 I65	S57-V61 WeakPolarHBondContact O-CG2 3.3Å; S57-V61 PolarHBondContact O-N 3.47Å; S58-V61 PolarHBondContact O-N 3.34Å; W59-V61 VanDerWaalsContact C-N 3.32Å; W59-V61 PolarHBondContact O-N 3.49Å; V61-S64 PolarHBondContact O-N 3.18Å; V61-I65 HydrophobicContact CG1-CD1 3.86Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.01Å
62	I	94.9	Very high	90.9	Very high	30 Å²	30	74.4 Å²	74.4	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-67.8	-43	-178	-63.2	-60.3	0	0	0	111.3	S58 W59 S64 I65 E66 Y82 R83 I86	S58-I62 WeakPolarHBondContact O-CG1 3.44Å; S58-I62 PolarHBondContact O-N 3.03Å; W59-I62 PolarHBondContact O-N 3.02Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.13Å; I62-I65 HydrophobicContact CD1-CD1 4.42Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I62-E66 WeakPolarHBondContact O-CB 3.44Å; I62-E66 PolarHBondContact O-N 3.48Å; I62-Y82 HydrophobicContact CD1-CD1 3.65Å; I62-Y82 HydrophobicContact CD1-CE1 3.89Å; I62-Y82 HydrophobicContact CG1-CD1 3.72Å; I62-Y82 HydrophobicContact CG1-CE1 3.99Å; I62-Y82 HydrophobicContact CG2-CD1 4.16Å; I62-R83 HydrophobicContact CG2-CB 3.93Å; I62-I86 HydrophobicContact CB-CD1 4.27Å; I62-I86 HydrophobicContact CG1-CD1 3.76Å
63	S	92.6	Very high	90.4	Very high	16 Å²	16	82.3 Å²	82.3	11%	0.112	41%	0.41	C	S	.	.	H	α-helix	trans	-57.9	-40.6	174.1	-64.4	0	0	0	0	111.8	W59 Q67 R83	W59-S63 WeakPolarHBondContact O-CB 3.37Å; W59-S63 PolarHBondContact O-N 3.32Å; W59-S63 PolarHBondContact O-OG 3.1Å; S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.37Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-Q67 VanDerWaalsContact O-N 3.1Å; S63-R83 VanDerWaalsContact OG-CD 3.3Å; S63-R83 WeakPolarHBondContact OG-CD 3.49Å
64	S	92.1	Very high	90	Very high	43 Å²	43	89 Å²	89	30%	0.301	43%	0.431	S	S	.	.	H	α-helix	trans	-67.2	-38.2	175.7	-170.6	0	0	0	0	112.9	R60 V61 I62 K68	R60-S64 WeakPolarHBondContact O-CB 3.3Å; R60-S64 PolarHBondContact O-N 3.29Å; V61-S64 PolarHBondContact O-N 3.18Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3.13Å; S64-K68 WeakPolarHBondContact O-CG 3.31Å; S64-K68 PolarHBondContact O-N 3.21Å
65	I	90.2	Very high	89.6	Confident	91 Å²	91	92.9 Å²	92.9	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-67.7	-44.5	176.5	-69	167.1	0	0	0	110.6	V61 I62 Q67 K68 T69	V61-I65 HydrophobicContact CG1-CD1 3.86Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 3.01Å; I62-I65 HydrophobicContact CD1-CD1 4.42Å; I62-I65 PolarHBondContact O-N 3.35Å; I62-I65 VanDerWaalsContact O-N 3.13Å; I65-Q67 PolarHBondContact O-N 3.3Å; I65-K68 PolarHBondContact O-N 3.32Å; I65-T69 WeakPolarHBondContact O-CB 3.34Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.37Å
66	E	87.7	Confident	89.2	Confident	32 Å²	32	94.4 Å²	94.4	15%	0.15	45%	0.448	C	S	.	.	H	α-helix	trans	-57.7	-48.5	178.3	-174.8	-177.1	169.6	0	0	110.8	I62 K68 T69 K80 R83	I62-E66 WeakPolarHBondContact O-CB 3.44Å; I62-E66 PolarHBondContact O-N 3.48Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 3.31Å; E66-T69 PolarHBondContact O-N 3.02Å; E66-T69 VanDerWaalsContact O-N 3.14Å; E66-K80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R83 IonicContact OE1-NE 3.3Å; E66-R83 IonicContact OE1-NH2 3.08Å; E66-R83 WeakPolarHBondContact OE2-CD 3.47Å; E66-R83 IonicContact OE2-CZ 2.93Å; E66-R83 IonicContact OE2-NE 3.94Å; E66-R83 PolarHBondContact OE2-NE 2.95Å; E66-R83 IonicContact OE2-NH2 3.41Å
67	Q	85.6	Confident	88.9	Confident	144 Å²	144	97.3 Å²	97.3	67%	0.673	46%	0.463	S	S	*	.	H	α-helix	trans	-60.2	-33.1	178	-73.9	174	-1.8	0	0	113.4	S63 I65 T69	S63-Q67 VanDerWaalsContact O-CG 3.3Å; S63-Q67 WeakPolarHBondContact O-CG 3.37Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-Q67 VanDerWaalsContact O-N 3.1Å; I65-Q67 PolarHBondContact O-N 3.3Å; Q67-T69 VanDerWaalsContact C-N 3.35Å
68	K	87.8	Confident	88.7	Confident	166 Å²	166	100.4 Å²	100.4	72%	0.722	47%	0.472	S	S	*	.	H	α-helix	trans	-82.2	-9.6	-179.9	-70.5	171.6	-178.6	168.4	0	113.8	S64 I65 E66 E70	S64-K68 WeakPolarHBondContact O-CG 3.31Å; S64-K68 PolarHBondContact O-N 3.21Å; I65-K68 PolarHBondContact O-N 3.32Å; E66-K68 VanDerWaalsContact C-N 3.28Å; E66-K68 PolarHBondContact O-N 3.31Å; K68-E70 PolarHBondContact O-N 3.43Å
69	T	81.2	Confident	88.5	Confident	34 Å²	34	98.2 Å²	98.2	21%	0.209	46%	0.458	C	S	.	.			trans	-98.3	42.6	-168.4	-55.3	0	0	0	0	113	I65 E66 Q67 R71 K75	I65-T69 WeakPolarHBondContact O-CB 3.34Å; I65-T69 PolarHBondContact O-N 3.04Å; I65-T69 PolarHBondContact O-OG1 3.37Å; E66-T69 PolarHBondContact O-N 3.02Å; E66-T69 VanDerWaalsContact O-N 3.14Å; Q67-T69 VanDerWaalsContact C-N 3.35Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.44Å; T69-K75 HydrophobicContact CG2-CB 3.48Å; T69-K75 VanDerWaalsContact CG2-CB 3.48Å; T69-K75 HydrophobicContact CG2-CD 4.36Å
70	E	68.8	Low	88.3	Confident	157 Å²	157	100.1 Å²	100.1	73%	0.734	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.2	-169	-60.6	-177.5	160.4	0	0	115.8	K68	K68-E70 PolarHBondContact O-N 3.43Å
71	R	75.8	Confident	88.3	Confident	250 Å²	250	99.5 Å²	99.5	94%	0.943	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	0.7	-170.8	-64.2	-173.4	-178.5	-173.7	0.5	115.2	T69	T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 3.44Å
72	N	85.3	Confident	88.3	Confident	69 Å²	69	101.8 Å²	101.8	37%	0.369	47%	0.471	S	S	.	.			trans	-138.1	99.6	-177.9	-173.5	-41.5	0	0	0	111.1	K74 K75 Q76	N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.95Å; N72-K74 PolarHBondContact OD1-N 3.48Å; N72-K75 HydrophobicContact CB-CB 4.14Å; N72-K75 HydrophobicContact CB-CD 4.27Å; N72-K75 HydrophobicContact CB-CG 4.26Å; N72-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact OD1-N 3.13Å; N72-K75 VanDerWaalsContact OD1-N 3.1Å; N72-Q76 PolarHBondContact O-N 3.08Å
73	E	87	Confident	88.3	Confident	168 Å²	168	102.4 Å²	102.4	79%	0.785	47%	0.471	S	S	*	.	H	α-helix	trans	-53.2	-40.2	-177.4	-64.5	177	170.1	0	0	113.2	Q76 Q77	E73-Q76 PolarHBondContact O-N 3.19Å; E73-Q77 WeakPolarHBondContact O-CB 3.44Å; E73-Q77 PolarHBondContact O-N 3.39Å
74	K	89.4	Confident	88.5	Confident	170 Å²	170	105.8 Å²	105.8	74%	0.739	49%	0.485	S	S	*	.	H	α-helix	trans	-66.1	-43.8	178.7	-70.6	-173.2	178.2	-177.5	0	111.9	N72 Q76 Q77 M78	N72-K74 VanDerWaalsContact C-N 3.27Å; N72-K74 PolarHBondContact O-N 2.95Å; N72-K74 PolarHBondContact OD1-N 3.48Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; K74-Q77 PolarHBondContact O-N 2.88Å; K74-M78 WeakPolarHBondContact O-CG 3.47Å; K74-M78 PolarHBondContact O-N 3.45Å; K74-M78 VanDerWaalsContact O-N 3.08Å
75	K	87.7	Confident	88.7	Confident	131 Å²	131	109.3 Å²	109.3	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-69.3	-35.8	178.1	-69.3	-173.8	174.8	-173.3	0	111.7	T69 N72 M78 G79	T69-K75 HydrophobicContact CG2-CB 3.48Å; T69-K75 VanDerWaalsContact CG2-CB 3.48Å; T69-K75 HydrophobicContact CG2-CD 4.36Å; N72-K75 HydrophobicContact CB-CB 4.14Å; N72-K75 HydrophobicContact CB-CD 4.27Å; N72-K75 HydrophobicContact CB-CG 4.26Å; N72-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact OD1-N 3.13Å; N72-K75 VanDerWaalsContact OD1-N 3.1Å; K75-M78 PolarHBondContact O-N 2.94Å; K75-G79 PolarHBondContact O-N 2.97Å
76	Q	88.6	Confident	89.1	Confident	85 Å²	85	105.3 Å²	105.3	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-62.5	-46.6	174.9	-170.8	178.7	20.5	0	0	111	N72 E73 K74 M78 G79 K80	N72-Q76 PolarHBondContact O-N 3.08Å; E73-Q76 PolarHBondContact O-N 3.19Å; K74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-M78 PolarHBondContact O-N 3.41Å; Q76-G79 PolarHBondContact O-N 2.86Å; Q76-K80 PolarHBondContact O-N 3.13Å
77	Q	91.4	Very high	89.5	Confident	91 Å²	91	105 Å²	105	43%	0.425	47%	0.473	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.6	-176.1	58.8	31.8	0	0	112.2	E73 K74 G79 K80 E81	E73-Q77 WeakPolarHBondContact O-CB 3.44Å; E73-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 2.88Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-G79 PolarHBondContact O-N 3.41Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 2.82Å; Q77-E81 WeakPolarHBondContact O-CG 3Å; Q77-E81 PolarHBondContact O-N 2.93Å
78	M	92.2	Very high	90	Very high	131 Å²	131	100.2 Å²	100.2	65%	0.645	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-40.3	175.3	-70.6	175.8	69.1	0	0	112.6	K74 K75 Q76 Y82	K74-M78 WeakPolarHBondContact O-CG 3.47Å; K74-M78 PolarHBondContact O-N 3.45Å; K74-M78 VanDerWaalsContact O-N 3.08Å; K75-M78 PolarHBondContact O-N 2.94Å; Q76-M78 PolarHBondContact O-N 3.41Å; M78-Y82 WeakPolarHBondContact O-CB 3.48Å; M78-Y82 PolarHBondContact O-N 2.75Å; M78-Y82 VanDerWaalsContact O-N 3.14Å
79	G	92.5	Very high	90.5	Very high	14 Å²	14	95.6 Å²	95.6	14%	0.144	44%	0.439	C	S	.	.	H	α-helix	trans	-62	-46.9	176	0	0	0	0	0	111.6	K75 Q76 Q77 Y82 R83	K75-G79 PolarHBondContact O-N 2.97Å; Q76-G79 PolarHBondContact O-N 2.86Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-G79 PolarHBondContact O-N 3.41Å; G79-Y82 PolarHBondContact O-N 2.83Å; G79-R83 WeakPolarHBondContact O-CB 3.42Å; G79-R83 PolarHBondContact O-N 3.24Å
80	K	92.7	Very high	91.2	Very high	82 Å²	82	94 Å²	94	36%	0.357	43%	0.429	S	S	.	.	H	α-helix	trans	-58.4	-51.5	177.4	-176.4	-179.2	173.9	-178.9	0	112.5	E66 Q76 Q77 Y82 R83 E84	E66-K80 WeakPolarHBondContact OE1-CB 3.37Å; Q76-K80 PolarHBondContact O-N 3.13Å; Q77-K80 PolarHBondContact O-N 3.35Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.3Å; K80-R83 WeakPolarHBondContact O-CB 3.34Å; K80-R83 PolarHBondContact O-N 3.14Å; K80-E84 WeakPolarHBondContact CE-OE1 3.34Å; K80-E84 IonicContact NZ-OE1 2.73Å; K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.96Å
81	E	95.1	Very high	92.5	Very high	106 Å²	106	90.1 Å²	90.1	50%	0.495	41%	0.412	S	S	.	.	H	α-helix	trans	-60	-39.7	179.7	-73.9	170.6	-169.1	0	0	111.8	Q77 K85	Q77-E81 WeakPolarHBondContact CG-OE1 3.33Å; Q77-E81 PolarHBondContact NE2-OE1 2.82Å; Q77-E81 WeakPolarHBondContact O-CG 3Å; Q77-E81 PolarHBondContact O-N 2.93Å; E81-K85 PolarHBondContact O-N 3.47Å
82	Y	96.2	Very high	93.5	Very high	128 Å²	128	83.6 Å²	83.6	50%	0.502	40%	0.395	S	S	.	.	H	α-helix	trans	-72.6	-36.4	179	-160.2	-112	0	0	0	112.3	I62 M78 G79 K80 K85 I86	I62-Y82 HydrophobicContact CD1-CD1 3.65Å; I62-Y82 HydrophobicContact CD1-CE1 3.89Å; I62-Y82 HydrophobicContact CG1-CD1 3.72Å; I62-Y82 HydrophobicContact CG1-CE1 3.99Å; I62-Y82 HydrophobicContact CG2-CD1 4.16Å; M78-Y82 WeakPolarHBondContact O-CB 3.48Å; M78-Y82 PolarHBondContact O-N 2.75Å; M78-Y82 VanDerWaalsContact O-N 3.14Å; G79-Y82 PolarHBondContact O-N 2.83Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 PolarHBondContact O-N 3.3Å; Y82-K85 PolarHBondContact O-N 3.42Å; Y82-I86 HydrophobicContact CD1-CD1 3.96Å; Y82-I86 HydrophobicContact CE1-CD1 3.85Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.16Å
83	R	95.5	Very high	94.1	Very high	43 Å²	43	81.4 Å²	81.4	16%	0.162	38%	0.383	C	S	.	.	H	α-helix	trans	-59.6	-51.3	171.1	-177.9	-176.6	51	71.2	10.9	110.7	I62 S63 E66 G79 K80 K85 I86 E87	I62-R83 HydrophobicContact CG2-CB 3.93Å; S63-R83 VanDerWaalsContact OG-CD 3.3Å; S63-R83 WeakPolarHBondContact OG-CD 3.49Å; E66-R83 IonicContact OE1-NE 3.3Å; E66-R83 IonicContact OE1-NH2 3.08Å; E66-R83 WeakPolarHBondContact OE2-CD 3.47Å; E66-R83 IonicContact OE2-CZ 2.93Å; E66-R83 IonicContact OE2-NE 3.94Å; E66-R83 PolarHBondContact OE2-NE 2.95Å; E66-R83 IonicContact OE2-NH2 3.41Å; G79-R83 WeakPolarHBondContact O-CB 3.42Å; G79-R83 PolarHBondContact O-N 3.24Å; K80-R83 WeakPolarHBondContact O-CB 3.34Å; K80-R83 PolarHBondContact O-N 3.14Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.93Å; R83-I86 PolarHBondContact O-N 3.47Å; R83-E87 WeakPolarHBondContact CD-OE1 3.07Å; R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 WeakPolarHBondContact CG-OE1 3.17Å; R83-E87 IonicContact CZ-OE1 2.95Å; R83-E87 IonicContact NE-OE1 3.7Å; R83-E87 IonicContact NH1-OE1 2.82Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.46Å; R83-E87 WeakPolarHBondContact O-CG 3.31Å; R83-E87 PolarHBondContact O-N 2.91Å
84	E	95.3	Very high	94.7	Very high	86 Å²	86	73.4 Å²	73.4	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-35.8	-179	-73.2	173.8	177.8	0	0	112.1	K80 E87 A88	K80-E84 WeakPolarHBondContact CE-OE1 3.34Å; K80-E84 IonicContact NZ-OE1 2.73Å; K80-E84 WeakPolarHBondContact O-CG 3.47Å; K80-E84 PolarHBondContact O-N 2.96Å; E84-E87 PolarHBondContact O-N 3.48Å; E84-A88 PolarHBondContact O-N 2.94Å
85	K	97.3	Very high	95.1	Very high	118 Å²	118	69.2 Å²	69.2	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-60.6	-47.2	171.8	-177.4	-177.2	174.5	-173.6	0	112.2	E81 Y82 R83 E87 A88 E89	E81-K85 PolarHBondContact O-N 3.47Å; Y82-K85 PolarHBondContact O-N 3.42Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 2.93Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.39Å; K85-A88 PolarHBondContact O-N 3.39Å; K85-E89 VanDerWaalsContact CE-OE1 3.3Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 PolarHBondContact O-N 3.33Å; K85-E89 VanDerWaalsContact O-N 3.12Å
86	I	97.1	Very high	95.5	Very high	6 Å²	6	64.6 Å²	64.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-37.2	179.2	-62.2	164.2	0	0	0	110.6	R55 W59 I62 Y82 R83 E89 L90	R55-I86 HydrophobicContact CB-CG2 4.4Å; R55-I86 WeakPolarHBondContact O-CG2 3.31Å; W59-I86 HydrophobicContact CB-CG2 3.76Å; I62-I86 HydrophobicContact CB-CD1 4.27Å; I62-I86 HydrophobicContact CG1-CD1 3.76Å; Y82-I86 HydrophobicContact CD1-CD1 3.96Å; Y82-I86 HydrophobicContact CE1-CD1 3.85Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.16Å; R83-I86 PolarHBondContact O-N 3.47Å; I86-E89 PolarHBondContact O-N 2.87Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.31Å
87	E	96.3	Very high	96	Very high	25 Å²	25	60.7 Å²	60.7	12%	0.117	30%	0.295	C	S	.	.	H	α-helix	trans	-60.8	-43.6	175.4	-71.1	175.1	176.1	0	0	111.7	W59 R83 E84 K85 L90 Q91 V132	W59-E87 VanDerWaalsContact CD1-CG 3.5Å; W59-E87 VanDerWaalsContact NE1-CG 3.33Å; W59-E87 PolarHBondContact NE1-OE1 3.45Å; R83-E87 WeakPolarHBondContact CD-OE1 3.07Å; R83-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 WeakPolarHBondContact CG-OE1 3.17Å; R83-E87 IonicContact CZ-OE1 2.95Å; R83-E87 IonicContact NE-OE1 3.7Å; R83-E87 IonicContact NH1-OE1 2.82Å; R83-E87 PolarHBondContact NH1-OE1 3.46Å; R83-E87 IonicContact NH1-OE2 3.31Å; R83-E87 PolarHBondContact NH1-OE2 3.46Å; R83-E87 WeakPolarHBondContact O-CG 3.31Å; R83-E87 PolarHBondContact O-N 2.91Å; E84-E87 PolarHBondContact O-N 3.48Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 3.39Å; E87-L90 PolarHBondContact O-N 3.08Å; E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 2.84Å; E87-V132 HydrophobicContact CG-CB 4.04Å; E87-V132 HydrophobicContact CG-CG1 4.16Å
88	A	96.8	Very high	96.3	Very high	44 Å²	44	56.8 Å²	56.8	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-46.7	175.2	0	0	0	0	0	111.7	E84 K85 L90 Q91 D92	E84-A88 PolarHBondContact O-N 2.94Å; K85-A88 PolarHBondContact O-N 3.39Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.63Å; A88-Q91 PolarHBondContact O-N 3.15Å; A88-D92 PolarHBondContact O-N 2.91Å
89	E	97.5	Very high	96.6	Very high	69 Å²	69	54.8 Å²	54.8	32%	0.322	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-43.1	176.1	-69	176.2	-161.9	0	0	111.8	R55 K85 I86 D92 I93	R55-E89 HydrophobicContact CG-CB 4.35Å; R55-E89 IonicContact NE-OE2 2.81Å; K85-E89 VanDerWaalsContact CE-OE1 3.3Å; K85-E89 WeakPolarHBondContact CE-OE1 3.49Å; K85-E89 PolarHBondContact O-N 3.33Å; K85-E89 VanDerWaalsContact O-N 3.12Å; I86-E89 PolarHBondContact O-N 2.87Å; E89-D92 PolarHBondContact O-N 2.99Å; E89-I93 VanDerWaalsContact O-CD1 3.28Å; E89-I93 WeakPolarHBondContact O-CD1 3.25Å; E89-I93 VanDerWaalsContact O-CG1 3.22Å; E89-I93 WeakPolarHBondContact O-CG1 3.06Å; E89-I93 PolarHBondContact O-N 2.89Å
90	L	96.8	Very high	96.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-43.2	177.8	-171.8	156.7	0	0	0	111.4	V52 R56 I86 E87 A88 I93 C94 V132	V52-L90 HydrophobicContact CG2-CG 4.41Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.51Å; R56-L90 HydrophobicContact CG-CG 4.49Å; I86-L90 WeakPolarHBondContact O-CB 3.46Å; I86-L90 PolarHBondContact O-N 3.31Å; E87-L90 PolarHBondContact O-N 3.08Å; A88-L90 VanDerWaalsContact C-N 3.32Å; A88-L90 PolarHBondContact O-N 2.63Å; L90-I93 PolarHBondContact O-N 3.05Å; L90-C94 WeakPolarHBondContact O-CB 3.49Å; L90-C94 PolarHBondContact O-N 3.27Å; L90-C94 PolarHBondContact O-SG 2.77Å; L90-V132 HydrophobicContact CD1-CG1 4.05Å; L90-V132 HydrophobicContact CD2-CG1 4.41Å; L90-V132 HydrophobicContact CD2-CG2 3.96Å
91	Q	96.5	Very high	97.2	Very high	77 Å²	77	50.4 Å²	50.4	36%	0.36	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-45.8	176.6	-75.3	173.5	9.2	0	0	111.3	E87 A88 I93 C94 N95 L129 V132	E87-Q91 WeakPolarHBondContact O-CB 3.29Å; E87-Q91 VanDerWaalsContact O-CG 3.24Å; E87-Q91 WeakPolarHBondContact O-CG 3.02Å; E87-Q91 PolarHBondContact O-N 2.84Å; A88-Q91 PolarHBondContact O-N 3.15Å; Q91-I93 PolarHBondContact O-N 3.33Å; Q91-C94 PolarHBondContact O-N 2.87Å; Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.23Å; Q91-N95 PolarHBondContact O-N 3.02Å; Q91-N95 PolarHBondContact O-ND2 3.15Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; Q91-L129 HydrophobicContact CB-CD2 4.19Å; Q91-L129 HydrophobicContact CG-CD2 3.85Å; Q91-V132 HydrophobicContact CG-CG2 4.4Å
92	D	97.4	Very high	97.3	Very high	112 Å²	112	49 Å²	49	60%	0.599	24%	0.239	S	C	*	.	H	α-helix	trans	-60.5	-47	177.9	-72.2	-17.4	0	0	0	111.4	A88 E89 C94 N95 D96	A88-D92 PolarHBondContact O-N 2.91Å; E89-D92 PolarHBondContact O-N 2.99Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 3.49Å; D92-N95 PolarHBondContact O-N 3.28Å; D92-D96 WeakPolarHBondContact O-CB 3.42Å; D92-D96 PolarHBondContact O-N 3.4Å
93	I	97.9	Very high	97.4	Very high	24 Å²	24	48.8 Å²	48.8	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-43.9	177.1	-67	157.2	0	0	0	111	Y48 V51 V52 R55 E89 L90 Q91 V97	Y48-I93 HydrophobicContact CD1-CG2 4.18Å; V51-I93 HydrophobicContact CG1-CD1 3.63Å; V51-I93 HydrophobicContact CG1-CG1 3.94Å; V51-I93 HydrophobicContact CG1-CG2 4.07Å; V52-I93 HydrophobicContact CB-CG2 4.04Å; V52-I93 HydrophobicContact CG2-CG2 4.32Å; R55-I93 HydrophobicContact CG-CD1 3.98Å; E89-I93 VanDerWaalsContact O-CD1 3.28Å; E89-I93 WeakPolarHBondContact O-CD1 3.25Å; E89-I93 VanDerWaalsContact O-CG1 3.22Å; E89-I93 WeakPolarHBondContact O-CG1 3.06Å; E89-I93 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.05Å; Q91-I93 PolarHBondContact O-N 3.33Å; I93-V97 PolarHBondContact O-N 3.08Å
94	C	97.9	Very high	97.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-43.6	-179.1	-65.3	0	0	0	0	112	L90 Q91 D92 D96 V97 L98 Y125 L129	L90-C94 WeakPolarHBondContact O-CB 3.49Å; L90-C94 PolarHBondContact O-N 3.27Å; L90-C94 PolarHBondContact O-SG 2.77Å; Q91-C94 PolarHBondContact O-N 2.87Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 3.49Å; C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.48Å; C94-V97 PolarHBondContact O-N 2.9Å; C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.36Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; C94-L129 HydrophobicContact CB-CD1 4.03Å; C94-L129 HydrophobicContact CB-CD2 3.63Å; C94-L129 HydrophobicContact CB-CG 3.58Å
95	N	97.7	Very high	97.6	Very high	81 Å²	81	46 Å²	46	43%	0.433	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-37.4	178	-71.8	-31	0	0	0	111.6	Q91 D92 L98 E99	Q91-N95 WeakPolarHBondContact O-CB 3.49Å; Q91-N95 VanDerWaalsContact O-CG 3.23Å; Q91-N95 PolarHBondContact O-N 3.02Å; Q91-N95 PolarHBondContact O-ND2 3.15Å; Q91-N95 VanDerWaalsContact O-ND2 3.13Å; D92-N95 PolarHBondContact O-N 3.28Å; N95-L98 PolarHBondContact O-N 2.9Å; N95-E99 WeakPolarHBondContact O-CB 3.42Å; N95-E99 PolarHBondContact O-N 2.97Å
96	D	97.8	Very high	97.6	Very high	35 Å²	35	41.8 Å²	41.8	19%	0.187	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-49.5	174.2	-171.6	37.4	0	0	0	111.7	K27 Y48 D92 C94 E99 L100	K27-D96 WeakPolarHBondContact CD-OD1 3.43Å; K27-D96 VanDerWaalsContact CE-OD1 3.22Å; K27-D96 WeakPolarHBondContact CE-OD1 3.43Å; K27-D96 IonicContact NZ-OD1 2.87Å; K27-D96 PolarHBondContact NZ-OD1 3.21Å; K27-D96 IonicContact NZ-OD2 3.65Å; Y48-D96 WeakPolarHBondContact CE1-OD2 3.45Å; Y48-D96 PolarHBondContact OH-OD2 2.91Å; D92-D96 WeakPolarHBondContact O-CB 3.42Å; D92-D96 PolarHBondContact O-N 3.4Å; C94-D96 VanDerWaalsContact C-N 3.29Å; C94-D96 PolarHBondContact O-N 3.48Å; D96-E99 PolarHBondContact O-N 2.88Å; D96-L100 WeakPolarHBondContact O-CG 3.2Å; D96-L100 PolarHBondContact O-N 3.23Å; D96-L100 VanDerWaalsContact O-N 3.08Å
97	V	98.3	Very high	97.6	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-43.9	177.2	175	0	0	0	0	112.1	Y48 I93 C94 E99 L100 L101 M121 Y125	Y48-V97 HydrophobicContact CD1-CG2 3.15Å; Y48-V97 HydrophobicContact CD2-CG2 3.91Å; Y48-V97 HydrophobicContact CE1-CG2 3.42Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.42Å; Y48-V97 HydrophobicContact CE2-CG2 4.14Å; Y48-V97 HydrophobicContact CG-CG2 3.41Å; Y48-V97 VanDerWaalsContact CG-CG2 3.41Å; I93-V97 PolarHBondContact O-N 3.08Å; C94-V97 PolarHBondContact O-N 2.9Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 2.94Å; V97-L100 PolarHBondContact O-N 3.35Å; V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.17Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; V97-M121 HydrophobicContact CG1-CE 3.78Å; V97-M121 HydrophobicContact CG1-CG 4.43Å; V97-M121 HydrophobicContact CG1-SD 4.47Å; V97-Y125 HydrophobicContact CB-CD1 3.99Å; V97-Y125 HydrophobicContact CB-CD2 4.16Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.28Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.22Å; V97-Y125 HydrophobicContact CG1-CD2 3.48Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.48Å; V97-Y125 HydrophobicContact CG1-CE1 4.26Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.86Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.71Å; V97-Y125 HydrophobicContact CG2-CE2 4.31Å
98	L	98.5	Very high	97.5	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-38.9	179.4	-70.6	171.2	0	0	0	111.4	C94 N95 L101 D102 K122 F126 L129	C94-L98 WeakPolarHBondContact O-CB 3.38Å; C94-L98 WeakPolarHBondContact O-CG 3.46Å; C94-L98 PolarHBondContact O-N 3.36Å; N95-L98 PolarHBondContact O-N 2.9Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L98-L101 PolarHBondContact O-N 3.42Å; L98-D102 WeakPolarHBondContact O-CB 3.22Å; L98-D102 PolarHBondContact O-N 3.36Å; L98-K122 HydrophobicContact CD2-CG 3.85Å; L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CE1 3.6Å; L98-F126 HydrophobicContact CD1-CE2 4.31Å; L98-F126 HydrophobicContact CD1-CG 4.32Å; L98-F126 HydrophobicContact CD1-CZ 3.83Å; L98-F126 HydrophobicContact CD2-CD2 3.77Å; L98-F126 HydrophobicContact CD2-CE1 4.39Å; L98-F126 HydrophobicContact CD2-CE2 3.59Å; L98-F126 HydrophobicContact CD2-CG 4.24Å; L98-F126 HydrophobicContact CD2-CZ 3.92Å; L98-F126 HydrophobicContact CG-CZ 4.45Å; L98-L129 HydrophobicContact CD1-CD1 3.61Å
99	E	98.4	Very high	97.4	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-43.5	174.3	-176.5	173.6	-175.9	0	0	111.7	N95 D96 V97 L101 D102 K103	N95-E99 WeakPolarHBondContact O-CB 3.42Å; N95-E99 PolarHBondContact O-N 2.97Å; D96-E99 PolarHBondContact O-N 2.88Å; V97-E99 VanDerWaalsContact C-N 3.28Å; V97-E99 PolarHBondContact O-N 2.94Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.37Å; E99-D102 PolarHBondContact O-N 3Å; E99-K103 HydrophobicContact CG-CD 3.76Å; E99-K103 HydrophobicContact CG-CG 4.33Å; E99-K103 VanDerWaalsContact O-CB 3.31Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.04Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.28Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å
100	L	98.4	Very high	97.2	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-42.2	175.7	-67.1	176.9	0	0	0	112.2	K27 T30 E31 Y48 D96 V97 Y104 L105	K27-L100 HydrophobicContact CB-CD1 4.21Å; K27-L100 HydrophobicContact CG-CD1 4.07Å; K27-L100 HydrophobicContact CG-CD2 4.15Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.98Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; E31-L100 HydrophobicContact CG-CD2 3.83Å; Y48-L100 HydrophobicContact CE2-CD1 4.12Å; Y48-L100 WeakPolarHBondContact OH-CD1 3.45Å; D96-L100 WeakPolarHBondContact O-CG 3.2Å; D96-L100 PolarHBondContact O-N 3.23Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 3.35Å; L100-Y104 HydrophobicContact CD2-CD2 4Å; L100-Y104 HydrophobicContact CD2-CE2 4.23Å; L100-Y104 PolarHBondContact O-N 3.43Å; L100-L105 HydrophobicContact CB-CD1 4.38Å; L100-L105 PolarHBondContact O-N 3.45Å; L100-L105 VanDerWaalsContact O-N 3.08Å
101	L	98.4	Very high	97.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	I	π-helix	trans	-61.9	-47.5	178.4	-72.4	166.8	0	0	0	111.6	V97 L98 E99 L105 I106 Y118 M121 K122	V97-L101 HydrophobicContact CG1-CD1 3.7Å; V97-L101 HydrophobicContact CG1-CG 4.17Å; V97-L101 WeakPolarHBondContact O-CB 3.42Å; V97-L101 VanDerWaalsContact O-CG 3.26Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L98-L101 PolarHBondContact O-N 3.42Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.37Å; L101-L105 HydrophobicContact CD2-CB 4.32Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.98Å; L101-I106 HydrophobicContact CB-CD1 4.07Å; L101-I106 HydrophobicContact CB-CG1 4.45Å; L101-I106 WeakPolarHBondContact O-CB 3.36Å; L101-I106 WeakPolarHBondContact O-CG1 3.26Å; L101-I106 PolarHBondContact O-N 3.08Å; L101-Y118 HydrophobicContact CD2-CD1 3.91Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L101-M121 HydrophobicContact CD1-CB 4.29Å; L101-M121 HydrophobicContact CD1-CG 4.22Å; L101-M121 HydrophobicContact CD2-CB 4.31Å; L101-M121 HydrophobicContact CD2-SD 4.3Å; L101-K122 HydrophobicContact CD1-CB 3.92Å
102	D	97.9	Very high	97.1	Very high	77 Å²	77	50.6 Å²	50.6	41%	0.412	27%	0.266	S	S	.	.	I	π-helix	trans	-77.5	-34	-174.5	-76.8	-10.3	0	0	0	113.4	L98 E99 P107 K122	L98-D102 WeakPolarHBondContact O-CB 3.22Å; L98-D102 PolarHBondContact O-N 3.36Å; E99-D102 PolarHBondContact O-N 3Å; D102-P107 WeakPolarHBondContact O-CG 3.46Å; D102-K122 VanDerWaalsContact CG-NZ 3.35Å; D102-K122 VanDerWaalsContact OD1-CE 3.31Å; D102-K122 WeakPolarHBondContact OD1-CE 3.32Å; D102-K122 IonicContact OD1-NZ 3.61Å; D102-K122 PolarHBondContact OD1-NZ 3.08Å; D102-K122 IonicContact OD2-NZ 2.69Å; D102-K122 PolarHBondContact OD2-NZ 3.03Å
103	K	97.6	Very high	96.9	Very high	122 Å²	122	48.5 Å²	48.5	53%	0.53	25%	0.253	S	S	.	.	I	π-helix	trans	-88.9	-36.3	-177.5	-67.8	-174.1	178.8	177.8	0	114	E99	E99-K103 HydrophobicContact CG-CD 3.76Å; E99-K103 HydrophobicContact CG-CG 4.33Å; E99-K103 VanDerWaalsContact O-CB 3.31Å; E99-K103 WeakPolarHBondContact O-CB 3.47Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.04Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.28Å; E99-K103 PolarHBondContact OE1-NZ 3.23Å
104	Y	97.7	Very high	96.8	Very high	66 Å²	66	47.4 Å²	47.4	26%	0.259	25%	0.247	S	C	.	.	I	π-helix	trans	-123.7	-38	-167	-56.8	-81.5	0	0	0	114.2	T30 E31 L100 N108	T30-Y104 HydrophobicContact CG2-CG 4.42Å; E31-Y104 HydrophobicContact CG-CE2 3.97Å; L100-Y104 HydrophobicContact CD2-CD2 4Å; L100-Y104 HydrophobicContact CD2-CE2 4.23Å; L100-Y104 PolarHBondContact O-N 3.43Å; Y104-N108 VanDerWaalsContact O-CB 3.3Å; Y104-N108 WeakPolarHBondContact O-CB 3.45Å; Y104-N108 PolarHBondContact O-ND2 3.4Å
105	L	97.8	Very high	96.8	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.262	C	S	.	.	I	π-helix	trans	-91.4	-56.6	-167.8	-59.7	168.6	0	0	0	112.9	T30 L36 L44 L100 L101 N108 A109 Y118	T30-L105 HydrophobicContact CG2-CD1 4.14Å; T30-L105 HydrophobicContact CG2-CD2 3.58Å; T30-L105 HydrophobicContact CG2-CG 3.74Å; L36-L105 HydrophobicContact CD1-CD2 3.57Å; L36-L105 HydrophobicContact CG-CD2 3.81Å; L44-L105 HydrophobicContact CD2-CD1 3.6Å; L100-L105 HydrophobicContact CB-CD1 4.38Å; L100-L105 PolarHBondContact O-N 3.45Å; L100-L105 VanDerWaalsContact O-N 3.08Å; L101-L105 HydrophobicContact CD2-CB 4.32Å; L101-L105 HydrophobicContact CD2-CD1 3.81Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 PolarHBondContact O-N 2.98Å; L105-N108 PolarHBondContact O-N 3.47Å; L105-A109 WeakPolarHBondContact O-CB 3.32Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-A109 VanDerWaalsContact O-N 3.08Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.97Å; L105-Y118 HydrophobicContact CB-CE1 3.95Å; L105-Y118 HydrophobicContact CB-CE2 4.02Å; L105-Y118 HydrophobicContact CB-CG 3.95Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 4.01Å; L105-Y118 HydrophobicContact CD2-CE1 3.99Å; L105-Y118 HydrophobicContact CG-CD1 4.46Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å
106	I	97.4	Very high	96.8	Very high	29 Å²	29	47 Å²	47	15%	0.149	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-44.1	-178.2	-63.6	168.8	0	0	0	111.5	L101 N108 A109 L119 K122	L101-I106 HydrophobicContact CB-CD1 4.07Å; L101-I106 HydrophobicContact CB-CG1 4.45Å; L101-I106 WeakPolarHBondContact O-CB 3.36Å; L101-I106 WeakPolarHBondContact O-CG1 3.26Å; L101-I106 PolarHBondContact O-N 3.08Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 3.06Å; I106-A109 PolarHBondContact O-N 2.94Å; I106-L119 HydrophobicContact CD1-CD2 4.09Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.77Å
107	P	96.4	Very high	96.8	Very high	84 Å²	84	46.7 Å²	46.7	55%	0.545	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.7	178.9	-23.3	35	0	0	0	114.3	D102	D102-P107 WeakPolarHBondContact O-CG 3.46Å
108	N	93.8	Very high	96.8	Very high	63 Å²	63	46.7 Å²	46.7	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.1	-177.9	-67.9	-35.3	0	0	0	113.5	G33 Y104 L105 I106 T110	G33-N108 PolarHBondContact O-ND2 3.14Å; Y104-N108 VanDerWaalsContact O-CB 3.3Å; Y104-N108 WeakPolarHBondContact O-CB 3.45Å; Y104-N108 PolarHBondContact O-ND2 3.4Å; L105-N108 PolarHBondContact O-N 3.47Å; I106-N108 VanDerWaalsContact C-N 3.28Å; I106-N108 PolarHBondContact O-N 3.06Å; N108-T110 PolarHBondContact O-N 3.32Å
109	A	95.1	Very high	96.8	Very high	18 Å²	18	46.4 Å²	46.4	15%	0.149	24%	0.237	C	C	.	.			trans	-72.2	112.4	-179.6	0	0	0	0	0	111	L105 I106 S114 K115 Y118	L105-A109 WeakPolarHBondContact O-CB 3.32Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-A109 VanDerWaalsContact O-N 3.08Å; I106-A109 PolarHBondContact O-N 2.94Å; A109-S114 WeakPolarHBondContact CB-OG 3.38Å; A109-K115 HydrophobicContact CB-CB 4.14Å; A109-Y118 HydrophobicContact CB-CD2 3.9Å; A109-Y118 HydrophobicContact CB-CE2 4.02Å
110	T	93.5	Very high	96.8	Very high	93 Å²	93	43.9 Å²	43.9	57%	0.571	22%	0.224	S	C	*	.			trans	-93.3	-29.1	-177.7	62.1	0	0	0	0	113.2	E35 N108	E35-T110 PolarHBondContact OE1-N 3.28Å; E35-T110 PolarHBondContact OE1-OG1 3Å; E35-T110 VanDerWaalsContact OE1-OG1 3.06Å; E35-T110 PolarHBondContact OE2-OG1 3.28Å; N108-T110 PolarHBondContact O-N 3.32Å
111	Q	94.9	Very high	96.8	Very high	109 Å²	109	44 Å²	44	51%	0.509	23%	0.225	S	C	.	.	S	Bend	trans	-97.3	141.5	-177.7	-58.1	-54.6	-51.4	0	0	111.9	E113 S114 K115	Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.25Å; Q111-S114 PolarHBondContact N-OG 3.33Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-S114 PolarHBondContact O-OG 3.43Å; Q111-K115 PolarHBondContact O-N 3.49Å
112	P	95.4	Very high	96.8	Very high	39 Å²	39	46 Å²	46	25%	0.253	23%	0.234	S	C	.	.	H	α-helix	trans	-51.8	-42.2	176.4	-26.9	35.2	0	0	0	113.4	S114 K115 V116 I155 E159	P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 2.92Å; P112-K115 PolarHBondContact O-N 3.34Å; P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.24Å; P112-I155 HydrophobicContact CB-CG2 4.34Å; P112-E159 HydrophobicContact CB-CB 3.65Å; P112-E159 HydrophobicContact CB-CG 3.99Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 4.13Å
113	E	94.3	Very high	96.8	Very high	68 Å²	68	42.4 Å²	42.4	32%	0.318	21%	0.214	S	C	.	.	H	α-helix	trans	-61.1	-43.1	-179.8	-61.7	87	165.8	0	0	111.8	Q111 F117 M160 I166	Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.25Å; E113-F117 VanDerWaalsContact O-CB 3.29Å; E113-F117 WeakPolarHBondContact O-CB 3.43Å; E113-F117 PolarHBondContact O-N 3.19Å; E113-M160 HydrophobicContact CB-CE 4.37Å; E113-M160 HydrophobicContact CG-CE 3.89Å; E113-I166 HydrophobicContact CB-CD1 4.24Å
114	S	95.8	Very high	96.9	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-42.1	177.6	69.6	0	0	0	0	111.6	R41 A109 Q111 P112 F117 Y118	R41-S114 VanDerWaalsContact NH2-CB 3.26Å; A109-S114 WeakPolarHBondContact CB-OG 3.38Å; Q111-S114 PolarHBondContact N-OG 3.33Å; Q111-S114 PolarHBondContact O-N 3.25Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-S114 PolarHBondContact O-OG 3.43Å; P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 2.92Å; S114-F117 WeakPolarHBondContact O-CB 3.31Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-Y118 WeakPolarHBondContact O-CD2 3.24Å; S114-Y118 PolarHBondContact O-N 3.03Å
115	K	97.4	Very high	96.9	Very high	73 Å²	73	34.2 Å²	34.2	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-65.7	-45.4	179.2	-171.3	170	179	-178.9	0	111.5	A109 Q111 P112 F117 Y118 L119 E151 I155	A109-K115 HydrophobicContact CB-CB 4.14Å; Q111-K115 PolarHBondContact O-N 3.49Å; P112-K115 PolarHBondContact O-N 3.34Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.01Å; K115-Y118 PolarHBondContact O-N 3.24Å; K115-L119 HydrophobicContact CG-CD1 3.93Å; K115-L119 HydrophobicContact CG-CG 4.49Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 2.82Å; K115-E151 IonicContact NZ-OE1 2.63Å; K115-I155 HydrophobicContact CD-CD1 3.95Å; K115-I155 HydrophobicContact CG-CD1 4.16Å
116	V	98.3	Very high	96.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-42.1	174.9	174.4	0	0	0	0	110.8	P112 Y118 L119 K120 A152 I155 M160 I166 L170	P112-V116 VanDerWaalsContact O-CG2 3.3Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.24Å; V116-Y118 PolarHBondContact O-N 2.97Å; V116-L119 PolarHBondContact O-N 2.69Å; V116-K120 WeakPolarHBondContact O-CB 3.26Å; V116-K120 PolarHBondContact O-N 3.43Å; V116-A152 HydrophobicContact CG1-CB 4.38Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; V116-M160 HydrophobicContact CB-SD 4.05Å; V116-M160 HydrophobicContact CG1-SD 4.06Å; V116-M160 HydrophobicContact CG2-SD 3.89Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.69Å; V116-L170 HydrophobicContact CG1-CD2 4.02Å
117	F	97.4	Very high	96.9	Very high	28 Å²	28	34.3 Å²	34.3	12%	0.123	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-49.2	176.6	-174.2	-79.1	0	0	0	112	R41 E113 S114 K115 K120 M121 I166	R41-F117 HydrophobicContact CG-CD1 3.59Å; R41-F117 HydrophobicContact CG-CE1 3.34Å; R41-F117 HydrophobicContact CG-CE2 4.35Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.74Å; E113-F117 VanDerWaalsContact O-CB 3.29Å; E113-F117 WeakPolarHBondContact O-CB 3.43Å; E113-F117 PolarHBondContact O-N 3.19Å; S114-F117 WeakPolarHBondContact O-CB 3.31Å; S114-F117 PolarHBondContact O-N 3.22Å; K115-F117 VanDerWaalsContact C-N 3.33Å; K115-F117 PolarHBondContact O-N 3.01Å; F117-K120 PolarHBondContact O-N 2.87Å; F117-M121 HydrophobicContact CE1-SD 4.34Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.35Å; F117-I166 HydrophobicContact CB-CD1 4.44Å; F117-I166 HydrophobicContact CD2-CD1 4.18Å; F117-I166 HydrophobicContact CD2-CG1 4.37Å
118	Y	98.5	Very high	96.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-70.2	-38.8	-178.7	-62.3	-45.7	0	0	0	112.7	R41 L101 L105 A109 S114 K115 V116 M121 K122	R41-Y118 HydrophobicContact CG-CE1 3.74Å; R41-Y118 PolarHBondContact NE-OH 2.95Å; L101-Y118 HydrophobicContact CD2-CD1 3.91Å; L101-Y118 HydrophobicContact CD2-CG 4.15Å; L105-Y118 HydrophobicContact CB-CD1 3.91Å; L105-Y118 HydrophobicContact CB-CD2 3.97Å; L105-Y118 HydrophobicContact CB-CE1 3.95Å; L105-Y118 HydrophobicContact CB-CE2 4.02Å; L105-Y118 HydrophobicContact CB-CG 3.95Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 4.01Å; L105-Y118 HydrophobicContact CD2-CE1 3.99Å; L105-Y118 HydrophobicContact CG-CD1 4.46Å; L105-Y118 HydrophobicContact CG-CE1 4.21Å; A109-Y118 HydrophobicContact CB-CD2 3.9Å; A109-Y118 HydrophobicContact CB-CE2 4.02Å; S114-Y118 WeakPolarHBondContact O-CD2 3.24Å; S114-Y118 PolarHBondContact O-N 3.03Å; K115-Y118 PolarHBondContact O-N 3.24Å; V116-Y118 PolarHBondContact O-N 2.97Å; Y118-M121 WeakPolarHBondContact O-CB 3.46Å; Y118-M121 PolarHBondContact O-N 3.37Å; Y118-K122 WeakPolarHBondContact O-CB 3.3Å; Y118-K122 PolarHBondContact O-N 3.03Å
119	L	98.6	Very high	97	Very high	3 Å²	3	29 Å²	29	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-40	175.2	-72.8	168.4	0	0	0	111.9	I106 K115 V116 M121 K122 G123 E151 A152 I155	I106-L119 HydrophobicContact CD1-CD2 4.09Å; K115-L119 HydrophobicContact CG-CD1 3.93Å; K115-L119 HydrophobicContact CG-CG 4.49Å; K115-L119 WeakPolarHBondContact O-CB 3.5Å; K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 2.69Å; L119-M121 VanDerWaalsContact C-N 3.33Å; L119-M121 PolarHBondContact O-N 2.63Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 3.06Å; L119-G123 PolarHBondContact O-N 3.33Å; L119-E151 HydrophobicContact CD1-CB 4.19Å; L119-E151 HydrophobicContact CD1-CG 3.77Å; L119-A152 HydrophobicContact CB-CB 3.68Å; L119-I155 HydrophobicContact CD1-CD1 3.71Å
120	K	98.3	Very high	96.9	Very high	36 Å²	36	28.2 Å²	28.2	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-47.5	170.9	179	-169	173.5	-67.6	0	110.7	V116 F117 K122 G123 D124 Y149 G169 L170 N173	V116-K120 WeakPolarHBondContact O-CB 3.26Å; V116-K120 PolarHBondContact O-N 3.43Å; F117-K120 PolarHBondContact O-N 2.87Å; K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.95Å; K120-G123 PolarHBondContact O-N 3.17Å; K120-D124 IonicContact NZ-OD2 3.98Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.33Å; K120-Y149 HydrophobicContact CG-CE1 4.41Å; K120-G169 WeakPolarHBondContact CE-O 3.4Å; K120-L170 HydrophobicContact CB-CD1 4.05Å; K120-L170 HydrophobicContact CD-CB 4.1Å; K120-L170 HydrophobicContact CG-CB 4.35Å; K120-L170 HydrophobicContact CG-CD1 3.97Å; K120-N173 PolarHBondContact NZ-ND2 3.35Å
121	M	98.2	Very high	96.8	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.039	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-44.7	176.9	-165.6	173.4	-177	0	0	110.5	V97 L101 F117 Y118 L119 G123 D124 Y125	V97-M121 HydrophobicContact CG1-CE 3.78Å; V97-M121 HydrophobicContact CG1-CG 4.43Å; V97-M121 HydrophobicContact CG1-SD 4.47Å; L101-M121 HydrophobicContact CD1-CB 4.29Å; L101-M121 HydrophobicContact CD1-CG 4.22Å; L101-M121 HydrophobicContact CD2-CB 4.31Å; L101-M121 HydrophobicContact CD2-SD 4.3Å; F117-M121 HydrophobicContact CE1-SD 4.34Å; F117-M121 WeakPolarHBondContact O-CB 3.44Å; F117-M121 PolarHBondContact O-N 3.35Å; Y118-M121 WeakPolarHBondContact O-CB 3.46Å; Y118-M121 PolarHBondContact O-N 3.37Å; L119-M121 VanDerWaalsContact C-N 3.33Å; L119-M121 PolarHBondContact O-N 2.63Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.45Å; M121-D124 WeakPolarHBondContact O-CB 3.32Å; M121-D124 PolarHBondContact O-N 3.28Å; M121-Y125 HydrophobicContact CE-CE2 3.65Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.24Å; M121-Y125 WeakPolarHBondContact O-CD2 3.47Å; M121-Y125 PolarHBondContact O-N 3.33Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å
122	K	98.6	Very high	96.6	Very high	42 Å²	42	20.6 Å²	20.6	18%	0.183	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-45.7	174.7	-171.5	170.6	179.8	170.5	0	112.1	L98 L101 D102 I106 Y118 L119 K120 Y125 F126 A148	L98-K122 HydrophobicContact CD2-CG 3.85Å; L101-K122 HydrophobicContact CD1-CB 3.92Å; D102-K122 VanDerWaalsContact CG-NZ 3.35Å; D102-K122 VanDerWaalsContact OD1-CE 3.31Å; D102-K122 WeakPolarHBondContact OD1-CE 3.32Å; D102-K122 IonicContact OD1-NZ 3.61Å; D102-K122 PolarHBondContact OD1-NZ 3.08Å; D102-K122 IonicContact OD2-NZ 2.69Å; D102-K122 PolarHBondContact OD2-NZ 3.03Å; I106-K122 HydrophobicContact CD1-CB 4.47Å; I106-K122 HydrophobicContact CD1-CD 3.77Å; Y118-K122 WeakPolarHBondContact O-CB 3.3Å; Y118-K122 PolarHBondContact O-N 3.03Å; L119-K122 WeakPolarHBondContact O-CB 3.31Å; L119-K122 PolarHBondContact O-N 3.06Å; K120-K122 VanDerWaalsContact C-N 3.33Å; K120-K122 PolarHBondContact O-N 2.95Å; K122-Y125 PolarHBondContact O-N 3.49Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.9Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 VanDerWaalsContact O-CD2 3.28Å; K122-F126 WeakPolarHBondContact O-CD2 3.28Å; K122-F126 PolarHBondContact O-N 3.3Å; K122-F126 VanDerWaalsContact O-N 3.08Å; K122-A148 HydrophobicContact CB-CB 4.07Å; K122-A148 HydrophobicContact CD-CB 4.34Å; K122-A148 HydrophobicContact CG-CB 4.01Å
123	G	98.4	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59	-46.4	173	0	0	0	0	0	112.5	L119 K120 M121 Y125 F126 R127 S145 Y149	L119-G123 PolarHBondContact O-N 3.33Å; K120-G123 PolarHBondContact O-N 3.17Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.45Å; G123-Y125 PolarHBondContact O-N 3Å; G123-F126 PolarHBondContact O-N 3.05Å; G123-R127 VanDerWaalsContact O-CB 3.31Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.06Å; G123-S145 PolarHBondContact O-OG 3.46Å; G123-Y149 VanDerWaalsContact C-CZ 3.46Å
124	D	98.1	Very high	95.8	Very high	10 Å²	10	21 Å²	21	5%	0.053	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-46	177.8	-74.4	-38.8	0	0	0	112.6	K120 M121 R127 Y128 Y149 N173	K120-D124 IonicContact NZ-OD2 3.98Å; K120-D124 PolarHBondContact NZ-OD2 2.96Å; K120-D124 PolarHBondContact O-N 3.33Å; M121-D124 WeakPolarHBondContact O-CB 3.32Å; M121-D124 PolarHBondContact O-N 3.28Å; D124-R127 WeakPolarHBondContact O-CB 3.46Å; D124-R127 PolarHBondContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.92Å; D124-R127 IonicContact OD1-NE 2.86Å; D124-R127 IonicContact OD1-NH2 3.6Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; D124-Y128 HydrophobicContact CB-CE2 4.18Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.36Å; D124-Y128 VanDerWaalsContact O-CD2 3.24Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.34Å; D124-Y149 WeakPolarHBondContact CA-OH 3.48Å; D124-Y149 PolarHBondContact N-OH 2.94Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; D124-N173 WeakPolarHBondContact OD1-CB 3.41Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å
125	Y	98.1	Very high	95.2	Very high	7 Å²	7	23.9 Å²	23.9	3%	0.027	14%	0.138	C	C	.	.	H	α-helix	trans	-73.6	-35.1	-178.9	-77.1	-85.7	0	0	0	113.3	Y48 V52 C94 V97 M121 K122 G123 R127 Y128 L129	Y48-Y125 VanDerWaalsContact C-OH 3.25Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.47Å; Y48-Y125 PolarHBondContact O-OH 3.31Å; V52-Y125 HydrophobicContact CB-CE1 4.22Å; V52-Y125 HydrophobicContact CG1-CE1 4.11Å; V52-Y125 HydrophobicContact CG2-CE1 4.35Å; C94-Y125 HydrophobicContact CB-CD1 4.07Å; V97-Y125 HydrophobicContact CB-CD1 3.99Å; V97-Y125 HydrophobicContact CB-CD2 4.16Å; V97-Y125 HydrophobicContact CB-CE1 4.04Å; V97-Y125 HydrophobicContact CB-CE2 4.28Å; V97-Y125 HydrophobicContact CB-CG 4.06Å; V97-Y125 HydrophobicContact CG1-CD1 4.22Å; V97-Y125 HydrophobicContact CG1-CD2 3.48Å; V97-Y125 VanDerWaalsContact CG1-CD2 3.48Å; V97-Y125 HydrophobicContact CG1-CE1 4.26Å; V97-Y125 HydrophobicContact CG1-CE2 3.59Å; V97-Y125 HydrophobicContact CG1-CG 3.86Å; V97-Y125 HydrophobicContact CG2-CD1 4.16Å; V97-Y125 HydrophobicContact CG2-CE1 3.71Å; V97-Y125 HydrophobicContact CG2-CE2 4.31Å; M121-Y125 HydrophobicContact CE-CE2 3.65Å; M121-Y125 HydrophobicContact CG-CD2 3.81Å; M121-Y125 HydrophobicContact CG-CE2 3.59Å; M121-Y125 VanDerWaalsContact O-CD2 3.24Å; M121-Y125 WeakPolarHBondContact O-CD2 3.47Å; M121-Y125 PolarHBondContact O-N 3.33Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.49Å; G123-Y125 PolarHBondContact O-N 3Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; Y125-Y128 AromaticContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CE2 4.34Å; Y125-Y128 HydrophobicContact CE1-CD2 4.2Å; Y125-Y128 HydrophobicContact CE1-CE2 4.31Å; Y125-Y128 HydrophobicContact CG-CD2 4.26Å; Y125-Y128 PolarHBondContact O-N 2.96Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.31Å
126	F	98.3	Very high	94.4	Very high	24 Å²	24	27.1 Å²	27.1	11%	0.105	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-36.6	169.8	-82.3	-58.4	0	0	0	112.4	L98 K122 G123 L129 S130 N144	L98-F126 HydrophobicContact CD1-CD1 3.87Å; L98-F126 HydrophobicContact CD1-CE1 3.6Å; L98-F126 HydrophobicContact CD1-CE2 4.31Å; L98-F126 HydrophobicContact CD1-CG 4.32Å; L98-F126 HydrophobicContact CD1-CZ 3.83Å; L98-F126 HydrophobicContact CD2-CD2 3.77Å; L98-F126 HydrophobicContact CD2-CE1 4.39Å; L98-F126 HydrophobicContact CD2-CE2 3.59Å; L98-F126 HydrophobicContact CD2-CG 4.24Å; L98-F126 HydrophobicContact CD2-CZ 3.92Å; L98-F126 HydrophobicContact CG-CZ 4.45Å; K122-F126 HydrophobicContact CD-CE2 4.32Å; K122-F126 HydrophobicContact CG-CD2 3.9Å; K122-F126 HydrophobicContact CG-CE2 3.74Å; K122-F126 VanDerWaalsContact O-CD2 3.28Å; K122-F126 WeakPolarHBondContact O-CD2 3.28Å; K122-F126 PolarHBondContact O-N 3.3Å; K122-F126 VanDerWaalsContact O-N 3.08Å; G123-F126 PolarHBondContact O-N 3.05Å; F126-L129 HydrophobicContact CD1-CD1 4.16Å; F126-L129 WeakPolarHBondContact O-CB 3.2Å; F126-L129 PolarHBondContact O-N 3.48Å; F126-S130 PolarHBondContact O-N 3.25Å; F126-N144 HydrophobicContact CB-CB 4.48Å; F126-N144 HydrophobicContact CD1-CB 3.75Å; F126-N144 HydrophobicContact CD2-CB 3.7Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.72Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.78Å
127	R	97.1	Very high	93.9	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.045	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-46.6	172.6	173.9	170	62.1	87.1	-3.8	111.2	G123 D124 Y125 L129 S130 E131 Y149 F177 I181	G123-R127 VanDerWaalsContact O-CB 3.31Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.06Å; D124-R127 WeakPolarHBondContact O-CB 3.46Å; D124-R127 PolarHBondContact O-N 3.13Å; D124-R127 IonicContact OD1-CZ 3.92Å; D124-R127 IonicContact OD1-NE 2.86Å; D124-R127 IonicContact OD1-NH2 3.6Å; D124-R127 PolarHBondContact OD1-NH2 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.32Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 2.95Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 3.48Å; R127-E131 IonicContact NH1-OE1 2.91Å; R127-E131 PolarHBondContact O-N 3Å; R127-E131 VanDerWaalsContact O-N 3.17Å; R127-Y149 PolarHBondContact NE-OH 3.02Å; R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.21Å; R127-I181 HydrophobicContact CG-CD1 4.24Å; R127-I181 HydrophobicContact CG-CG1 3.94Å
128	Y	96.1	Very high	93.6	Very high	23 Å²	23	36 Å²	36	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-39.4	176.3	-54.5	-28.9	0	0	0	112.5	V52 D124 Y125 S130 E131	V52-Y128 HydrophobicContact CG1-CD2 4.08Å; V52-Y128 HydrophobicContact CG1-CE2 3.87Å; V52-Y128 HydrophobicContact CG2-CD2 3.95Å; D124-Y128 HydrophobicContact CB-CE2 4.18Å; D124-Y128 VanDerWaalsContact O-CD1 3.31Å; D124-Y128 WeakPolarHBondContact O-CD1 3.36Å; D124-Y128 VanDerWaalsContact O-CD2 3.24Å; D124-Y128 WeakPolarHBondContact O-CD2 3.39Å; D124-Y128 PolarHBondContact O-N 3.34Å; Y125-Y128 AromaticContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CD2 3.93Å; Y125-Y128 HydrophobicContact CD1-CE2 4.34Å; Y125-Y128 HydrophobicContact CE1-CD2 4.2Å; Y125-Y128 HydrophobicContact CE1-CE2 4.31Å; Y125-Y128 HydrophobicContact CG-CD2 4.26Å; Y125-Y128 PolarHBondContact O-N 2.96Å; Y128-S130 VanDerWaalsContact C-N 3.32Å; Y128-S130 PolarHBondContact O-N 3.07Å; Y128-E131 WeakPolarHBondContact O-CB 3.48Å; Y128-E131 PolarHBondContact O-N 3.36Å
129	L	95.8	Very high	93.3	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-40.5	172.3	-74.2	174.6	0	0	0	112	Q91 C94 L98 Y125 F126 R127 E131 V132 A133 T141	Q91-L129 HydrophobicContact CB-CD2 4.19Å; Q91-L129 HydrophobicContact CG-CD2 3.85Å; C94-L129 HydrophobicContact CB-CD1 4.03Å; C94-L129 HydrophobicContact CB-CD2 3.63Å; C94-L129 HydrophobicContact CB-CG 3.58Å; L98-L129 HydrophobicContact CD1-CD1 3.61Å; Y125-L129 WeakPolarHBondContact O-CG 3.43Å; Y125-L129 PolarHBondContact O-N 3.31Å; F126-L129 HydrophobicContact CD1-CD1 4.16Å; F126-L129 WeakPolarHBondContact O-CB 3.2Å; F126-L129 PolarHBondContact O-N 3.48Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 2.95Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.31Å; L129-V132 WeakPolarHBondContact O-CG2 3.02Å; L129-V132 PolarHBondContact O-N 3.48Å; L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 2.93Å; L129-T141 HydrophobicContact CB-CG2 3.81Å; L129-T141 HydrophobicContact CD1-CG2 4.43Å
130	S	94.4	Very high	93.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-23.6	-179.8	75.4	0	0	0	0	114	F126 R127 Y128 V132 T141	F126-S130 PolarHBondContact O-N 3.25Å; R127-S130 PolarHBondContact O-N 2.82Å; R127-S130 PolarHBondContact O-OG 3.48Å; Y128-S130 VanDerWaalsContact C-N 3.32Å; Y128-S130 PolarHBondContact O-N 3.07Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.36Å; S130-T141 WeakPolarHBondContact CA-OG1 3.27Å; S130-T141 WeakPolarHBondContact CB-OG1 3.33Å
131	E	90.7	Very high	93	Very high	34 Å²	34	45.2 Å²	45.2	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-33.7	175.4	-69.2	171.4	-163	0	0	111.8	R56 W59 R127 Y128 L129 I181	R56-E131 IonicContact CZ-OE1 3.83Å; R56-E131 IonicContact CZ-OE2 2.63Å; R56-E131 VanDerWaalsContact CZ-OE2 3.31Å; R56-E131 IonicContact NE-OE1 2.84Å; R56-E131 IonicContact NE-OE2 3.81Å; R56-E131 PolarHBondContact NE-OE2 2.91Å; R56-E131 IonicContact NH2-OE1 3.89Å; R56-E131 PolarHBondContact NH2-OE1 3.26Å; R56-E131 IonicContact NH2-OE2 2.79Å; R56-E131 PolarHBondContact NH2-OE2 3.22Å; W59-E131 VanDerWaalsContact CH2-O 3.29Å; W59-E131 WeakPolarHBondContact CH2-O 3.34Å; R127-E131 IonicContact NH1-OE1 2.91Å; R127-E131 PolarHBondContact O-N 3Å; R127-E131 VanDerWaalsContact O-N 3.17Å; Y128-E131 WeakPolarHBondContact O-CB 3.48Å; Y128-E131 PolarHBondContact O-N 3.36Å; L129-E131 VanDerWaalsContact C-N 3.25Å; L129-E131 PolarHBondContact O-N 3.31Å; E131-I181 HydrophobicContact CG-CD1 4.16Å
132	V	91.1	Very high	92.9	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-106.6	-11.2	-176.7	-59.7	0	0	0	0	113.3	W59 E87 L90 Q91 L129 S130	W59-V132 HydrophobicContact CD2-CG1 3.84Å; W59-V132 HydrophobicContact CE3-CG1 4.35Å; W59-V132 HydrophobicContact CG-CG1 4.21Å; W59-V132 HydrophobicContact CH2-CG1 4.37Å; W59-V132 HydrophobicContact CZ2-CB 4.48Å; W59-V132 HydrophobicContact CZ2-CG1 3.87Å; E87-V132 HydrophobicContact CG-CB 4.04Å; E87-V132 HydrophobicContact CG-CG1 4.16Å; L90-V132 HydrophobicContact CD1-CG1 4.05Å; L90-V132 HydrophobicContact CD2-CG1 4.41Å; L90-V132 HydrophobicContact CD2-CG2 3.96Å; Q91-V132 HydrophobicContact CG-CG2 4.4Å; L129-V132 WeakPolarHBondContact O-CG2 3.02Å; L129-V132 PolarHBondContact O-N 3.48Å; S130-V132 VanDerWaalsContact C-N 3.3Å; S130-V132 PolarHBondContact O-N 3.36Å
133	A	89.7	Confident	92.8	Very high	15 Å²	15	46.2 Å²	46.2	12%	0.124	27%	0.266	C	S	.	.			trans	-74	149	-178.4	0	0	0	0	0	112.6	L129 N137 K138	L129-A133 VanDerWaalsContact O-CB 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.43Å; L129-A133 PolarHBondContact O-N 2.93Å; A133-N137 HydrophobicContact CB-CB 4.45Å; A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.48Å
134	S	82.1	Confident	92.8	Very high	100 Å²	100	48.8 Å²	48.8	70%	0.699	28%	0.28	S	S	*	.			trans	-127.7	153.9	175.8	-66.6	0	0	0	0	111.1
135	G	83.4	Confident	92.8	Very high	62 Å²	62	48.3 Å²	48.3	64%	0.639	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-141.7	178	0	0	0	0	0	113.7	N137 K138	G135-N137 PolarHBondContact O-N 3.3Å; G135-K138 WeakPolarHBondContact O-CB 3.44Å; G135-K138 PolarHBondContact O-N 2.89Å
136	D	81.6	Confident	92.8	Very high	141 Å²	141	51.1 Å²	51.1	75%	0.754	29%	0.291	S	S	*	.	H	α-helix	trans	-62	-28.2	-175.2	-62.6	-21.9	0	0	0	113.7	K138 Q139 T140	D136-K138 PolarHBondContact O-N 2.96Å; D136-Q139 PolarHBondContact O-N 3.49Å; D136-T140 PolarHBondContact O-N 2.93Å; D136-T140 PolarHBondContact O-OG1 2.95Å
137	N	86.8	Confident	92.8	Very high	117 Å²	117	56 Å²	56	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-64.6	-31.4	175.4	-71.3	-13.3	0	0	0	111.6	A133 G135 T141	A133-N137 HydrophobicContact CB-CB 4.45Å; G135-N137 PolarHBondContact O-N 3.3Å; N137-T141 WeakPolarHBondContact O-CG2 3.09Å; N137-T141 PolarHBondContact O-N 3.2Å; N137-T141 PolarHBondContact O-OG1 2.56Å
138	K	91.5	Very high	92.8	Very high	99 Å²	99	55.6 Å²	55.6	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-67	-47.4	176.8	-169.7	172.6	-175.5	171.8	0	110.9	A133 G135 D136 T140 T141 V142	A133-K138 HydrophobicContact CB-CB 4.03Å; A133-K138 HydrophobicContact CB-CG 4.48Å; G135-K138 WeakPolarHBondContact O-CB 3.44Å; G135-K138 PolarHBondContact O-N 2.89Å; D136-K138 PolarHBondContact O-N 2.96Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.33Å; K138-T141 WeakPolarHBondContact CA-OG1 3.48Å; K138-T141 PolarHBondContact O-N 2.88Å; K138-T141 PolarHBondContact O-OG1 3.01Å; K138-V142 HydrophobicContact CG-CG2 4.28Å; K138-V142 WeakPolarHBondContact O-CB 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.4Å; K138-V142 PolarHBondContact O-N 2.91Å
139	Q	92.4	Very high	93	Very high	138 Å²	138	54.5 Å²	54.5	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-59.7	-41.1	179.2	-171.7	60.9	38.6	0	0	111.8	D136 S143	D136-Q139 PolarHBondContact O-N 3.49Å; Q139-S143 WeakPolarHBondContact O-CB 3.46Å; Q139-S143 PolarHBondContact O-N 3.05Å
140	T	94.8	Very high	93.1	Very high	79 Å²	79	57 Å²	57	49%	0.485	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-47.9	179	-56.4	0	0	0	0	111.8	D136 K138 V142 S143 N144	D136-T140 PolarHBondContact O-N 2.93Å; D136-T140 PolarHBondContact O-OG1 2.95Å; K138-T140 VanDerWaalsContact C-N 3.27Å; K138-T140 PolarHBondContact O-N 3.33Å; T140-V142 PolarHBondContact O-N 2.65Å; T140-S143 PolarHBondContact O-N 2.79Å; T140-N144 WeakPolarHBondContact O-CB 3.33Å; T140-N144 VanDerWaalsContact O-CG 3.26Å; T140-N144 PolarHBondContact O-N 3.33Å; T140-N144 PolarHBondContact O-ND2 3.33Å
141	T	94.9	Very high	93.3	Very high	17 Å²	17	60.8 Å²	60.8	10%	0.104	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-39.6	179.4	49.2	0	0	0	0	112.2	L129 S130 N137 K138 N144 S145	L129-T141 HydrophobicContact CB-CG2 3.81Å; L129-T141 HydrophobicContact CD1-CG2 4.43Å; S130-T141 WeakPolarHBondContact CA-OG1 3.27Å; S130-T141 WeakPolarHBondContact CB-OG1 3.33Å; N137-T141 WeakPolarHBondContact O-CG2 3.09Å; N137-T141 PolarHBondContact O-N 3.2Å; N137-T141 PolarHBondContact O-OG1 2.56Å; K138-T141 WeakPolarHBondContact CA-OG1 3.48Å; K138-T141 PolarHBondContact O-N 2.88Å; K138-T141 PolarHBondContact O-OG1 3.01Å; T141-N144 PolarHBondContact O-N 2.94Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 3.23Å
142	V	96.5	Very high	93.7	Very high	13 Å²	13	59.2 Å²	59.2	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-47.8	173.8	172.3	0	0	0	0	111.4	K138 T140 N144 S145 Q146 F177 I181 L182	K138-V142 HydrophobicContact CG-CG2 4.28Å; K138-V142 WeakPolarHBondContact O-CB 3.29Å; K138-V142 WeakPolarHBondContact O-CG2 3.4Å; K138-V142 PolarHBondContact O-N 2.91Å; T140-V142 PolarHBondContact O-N 2.65Å; V142-N144 PolarHBondContact O-N 3.33Å; V142-S145 PolarHBondContact O-N 3.06Å; V142-Q146 WeakPolarHBondContact O-CB 3.49Å; V142-Q146 PolarHBondContact O-N 2.74Å; V142-F177 HydrophobicContact CG1-CE2 4.46Å; V142-F177 HydrophobicContact CG1-CZ 4.01Å; V142-F177 WeakPolarHBondContact O-CZ 3.09Å; V142-I181 HydrophobicContact CB-CG2 4.44Å; V142-I181 HydrophobicContact CG1-CG2 4.17Å; V142-I181 HydrophobicContact CG2-CG2 3.57Å; V142-L182 HydrophobicContact CG1-CD2 3.45Å; V142-L182 VanDerWaalsContact CG1-CD2 3.45Å
143	S	97	Very high	94	Very high	58 Å²	58	60.8 Å²	60.8	41%	0.406	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-45.7	178.3	-174.9	0	0	0	0	111.7	Q139 T140 Q146 Q147	Q139-S143 WeakPolarHBondContact O-CB 3.46Å; Q139-S143 PolarHBondContact O-N 3.05Å; T140-S143 PolarHBondContact O-N 2.79Å; S143-Q146 PolarHBondContact O-N 3.42Å; S143-Q147 WeakPolarHBondContact O-CB 3.5Å; S143-Q147 PolarHBondContact O-N 3.41Å
144	N	97.8	Very high	94.4	Very high	53 Å²	53	65 Å²	65	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-40.2	179.8	-70.3	-16.3	0	0	0	112.1	F126 T140 T141 V142 Q147 A148	F126-N144 HydrophobicContact CB-CB 4.48Å; F126-N144 HydrophobicContact CD1-CB 3.75Å; F126-N144 HydrophobicContact CD2-CB 3.7Å; F126-N144 HydrophobicContact CE1-CB 3.79Å; F126-N144 HydrophobicContact CE2-CB 3.72Å; F126-N144 HydrophobicContact CG-CB 3.73Å; F126-N144 HydrophobicContact CZ-CB 3.78Å; T140-N144 WeakPolarHBondContact O-CB 3.33Å; T140-N144 VanDerWaalsContact O-CG 3.26Å; T140-N144 PolarHBondContact O-N 3.33Å; T140-N144 PolarHBondContact O-ND2 3.33Å; T141-N144 PolarHBondContact O-N 2.94Å; V142-N144 PolarHBondContact O-N 3.33Å; N144-Q147 PolarHBondContact O-N 2.95Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 3.44Å
145	S	98.2	Very high	95.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-49.8	173.4	175.8	0	0	0	0	111.1	G123 T141 V142 Q147 A148 Y149 F177	G123-S145 PolarHBondContact O-OG 3.46Å; T141-S145 WeakPolarHBondContact O-CB 3.31Å; T141-S145 PolarHBondContact O-N 3.23Å; V142-S145 PolarHBondContact O-N 3.06Å; S145-Q147 PolarHBondContact O-N 3.11Å; S145-A148 PolarHBondContact O-N 2.87Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.34Å; S145-Y149 PolarHBondContact O-N 2.87Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.46Å; S145-F177 VanDerWaalsContact OG-CD2 3.27Å; S145-F177 WeakPolarHBondContact OG-CD2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å
146	Q	98.1	Very high	95.8	Very high	67 Å²	67	58.8 Å²	58.8	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-61	-44.6	-179.9	-172.3	175.6	14.9	0	0	112	V142 S143 Y149 Q150 F177	V142-Q146 WeakPolarHBondContact O-CB 3.49Å; V142-Q146 PolarHBondContact O-N 2.74Å; S143-Q146 PolarHBondContact O-N 3.42Å; Q146-Y149 PolarHBondContact O-N 3.02Å; Q146-Q150 WeakPolarHBondContact O-CB 3.3Å; Q146-Q150 PolarHBondContact O-N 2.68Å; Q146-F177 HydrophobicContact CB-CE1 3.73Å; Q146-F177 HydrophobicContact CB-CZ 3.86Å; Q146-F177 HydrophobicContact CG-CE1 4.1Å
147	Q	98.4	Very high	96.5	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	29%	0.287	S	S	*	.	H	α-helix	trans	-60.7	-46.8	178.6	-177	-179.9	-2.9	0	0	111.4	S143 N144 S145 Q150 E151	S143-Q147 WeakPolarHBondContact O-CB 3.5Å; S143-Q147 PolarHBondContact O-N 3.41Å; N144-Q147 PolarHBondContact O-N 2.95Å; S145-Q147 PolarHBondContact O-N 3.11Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q147-E151 PolarHBondContact O-N 3.23Å
148	A	98.6	Very high	97	Very high	4 Å²	4	60 Å²	60	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-44.2	-179.8	0	0	0	0	0	112.1	K122 N144 S145 A152	K122-A148 HydrophobicContact CB-CB 4.07Å; K122-A148 HydrophobicContact CD-CB 4.34Å; K122-A148 HydrophobicContact CG-CB 4.01Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 3.44Å; S145-A148 PolarHBondContact O-N 2.87Å; A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.47Å
149	Y	98.6	Very high	97.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-41.1	175.1	-75.2	-51.7	0	0	0	112.6	K120 G123 D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177	K120-Y149 HydrophobicContact CG-CE1 4.41Å; G123-Y149 VanDerWaalsContact C-CZ 3.46Å; D124-Y149 WeakPolarHBondContact CA-OH 3.48Å; D124-Y149 PolarHBondContact N-OH 2.94Å; D124-Y149 PolarHBondContact OD1-OH 3.47Å; R127-Y149 PolarHBondContact NE-OH 3.02Å; S145-Y149 VanDerWaalsContact O-CD2 3.25Å; S145-Y149 WeakPolarHBondContact O-CD2 3.34Å; S145-Y149 PolarHBondContact O-N 2.87Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.46Å; Q146-Y149 PolarHBondContact O-N 3.02Å; Y149-A152 PolarHBondContact O-N 2.91Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.4Å; Y149-F153 PolarHBondContact O-N 2.85Å; Y149-L170 HydrophobicContact CD1-CD1 3.63Å; Y149-L170 HydrophobicContact CE1-CD1 4.33Å; Y149-N173 HydrophobicContact CE1-CB 4.11Å; Y149-F174 HydrophobicContact CD1-CB 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CE2 4.25Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.25Å; Y149-F174 AromaticContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CE2 4.26Å; Y149-F174 HydrophobicContact CG-CG 4.05Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.26Å; Y149-F177 HydrophobicContact CD2-CG 4.08Å; Y149-F177 HydrophobicContact CE2-CB 3.83Å; Y149-F177 HydrophobicContact CE2-CD2 4.15Å; Y149-F177 AromaticContact CE2-CG 3.93Å; Y149-F177 HydrophobicContact CE2-CG 3.93Å
150	Q	98.4	Very high	97.4	Very high	67 Å²	67	53.5 Å²	53.5	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-64.8	-44.7	179.2	-168.4	66	49.9	0	0	111.2	Q146 Q147 A152 F153 E154 F174	Q146-Q150 WeakPolarHBondContact O-CB 3.3Å; Q146-Q150 PolarHBondContact O-N 2.68Å; Q147-Q150 PolarHBondContact O-N 2.96Å; Q150-A152 PolarHBondContact O-N 3.39Å; Q150-F153 PolarHBondContact O-N 3.45Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; Q150-E154 PolarHBondContact NE2-OE1 3.25Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.98Å; Q150-F174 HydrophobicContact CB-CZ 4.46Å
151	E	98.4	Very high	97.4	Very high	80 Å²	80	55.5 Å²	55.5	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-45.4	176	-169.7	-175.8	163.6	0	0	111.3	K115 L119 Q147 F153 I155	K115-E151 IonicContact NZ-OE1 2.63Å; L119-E151 HydrophobicContact CD1-CB 4.19Å; L119-E151 HydrophobicContact CD1-CG 3.77Å; Q147-E151 PolarHBondContact O-N 3.23Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.9Å; E151-I155 HydrophobicContact CG-CD1 4.19Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.48Å
152	A	98.5	Very high	97.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-40.9	174.5	0	0	0	0	0	111.6	V116 L119 A148 Y149 Q150 S156 L170	V116-A152 HydrophobicContact CG1-CB 4.38Å; L119-A152 HydrophobicContact CB-CB 3.68Å; A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.47Å; Y149-A152 PolarHBondContact O-N 2.91Å; Q150-A152 PolarHBondContact O-N 3.39Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.41Å; A152-S156 PolarHBondContact O-N 3Å; A152-S156 PolarHBondContact O-OG 3.33Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.84Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.41Å
153	F	98	Very high	97.5	Very high	41 Å²	41	54.9 Å²	54.9	18%	0.18	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-46.7	-175.7	-172.8	-102.9	0	0	0	111.3	Y149 Q150 E151 I155 S156 K157 L170 F174 L191	Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.4Å; Y149-F153 PolarHBondContact O-N 2.85Å; Q150-F153 PolarHBondContact O-N 3.45Å; Q150-F153 VanDerWaalsContact O-N 3.14Å; E151-F153 VanDerWaalsContact C-N 3.26Å; E151-F153 PolarHBondContact O-N 2.9Å; F153-I155 PolarHBondContact O-N 3.39Å; F153-S156 PolarHBondContact O-N 3.14Å; F153-S156 PolarHBondContact O-OG 3.49Å; F153-K157 WeakPolarHBondContact O-CB 3.36Å; F153-K157 PolarHBondContact O-N 3.33Å; F153-L170 HydrophobicContact CB-CD2 4.23Å; F153-L170 HydrophobicContact CD2-CD2 4.49Å; F153-F174 HydrophobicContact CB-CD1 4.39Å; F153-F174 HydrophobicContact CB-CE1 4.28Å; F153-L191 HydrophobicContact CE2-CD1 3.69Å; F153-L191 HydrophobicContact CZ-CD1 3.79Å
154	E	98.1	Very high	97.4	Very high	103 Å²	103	54.7 Å²	54.7	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-43.9	177.2	-65.7	-49.4	134.5	0	0	112.3	Q150 K157 K158	Q150-E154 PolarHBondContact NE2-OE1 3.25Å; Q150-E154 WeakPolarHBondContact O-CG 3.25Å; Q150-E154 PolarHBondContact O-N 2.98Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-K158 PolarHBondContact O-N 2.86Å
155	I	98.1	Very high	97.2	Very high	33 Å²	33	53.5 Å²	53.5	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-46.9	176.7	-62	166.5	0	0	0	109.9	P112 K115 V116 L119 E151 F153 K157 K158 E159	P112-I155 HydrophobicContact CB-CG2 4.34Å; K115-I155 HydrophobicContact CD-CD1 3.95Å; K115-I155 HydrophobicContact CG-CD1 4.16Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.49Å; V116-I155 VanDerWaalsContact CG2-CG2 3.49Å; L119-I155 HydrophobicContact CD1-CD1 3.71Å; E151-I155 HydrophobicContact CG-CD1 4.19Å; E151-I155 WeakPolarHBondContact O-CG1 3.32Å; E151-I155 PolarHBondContact O-N 3.48Å; F153-I155 PolarHBondContact O-N 3.39Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.16Å; I155-K158 PolarHBondContact O-N 3.3Å; I155-E159 HydrophobicContact CG2-CG 4.22Å; I155-E159 WeakPolarHBondContact O-CB 3.46Å; I155-E159 PolarHBondContact O-N 3.44Å
156	S	97.9	Very high	97.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-36.5	-178.5	76.4	0	0	0	0	112.8	A152 F153 K158 M160	A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.41Å; A152-S156 PolarHBondContact O-N 3Å; A152-S156 PolarHBondContact O-OG 3.33Å; F153-S156 PolarHBondContact O-N 3.14Å; F153-S156 PolarHBondContact O-OG 3.49Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.42Å; S156-M160 WeakPolarHBondContact O-CA 3.28Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.45Å; S156-M160 PolarHBondContact O-N 3.01Å
157	K	96.1	Very high	97.1	Very high	120 Å²	120	53.1 Å²	53.1	52%	0.522	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-33.3	179.2	-170.9	174.4	-178.4	176.7	0	111.9	F153 E154 I155	F153-K157 WeakPolarHBondContact O-CB 3.36Å; F153-K157 PolarHBondContact O-N 3.33Å; E154-K157 PolarHBondContact O-N 3.38Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.16Å
158	K	97	Very high	97.1	Very high	163 Å²	163	47.3 Å²	47.3	71%	0.709	22%	0.221	S	C	*	.	H	α-helix	trans	-83.5	-39	-178.8	-174.7	174.2	174.6	-99.9	0	113.1	E154 I155 S156	E154-K158 PolarHBondContact O-N 2.86Å; I155-K158 PolarHBondContact O-N 3.3Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.42Å
159	E	97.1	Very high	97	Very high	91 Å²	91	47.6 Å²	47.6	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-112.2	-7.6	-165.8	-53.5	-64.9	158.9	0	0	113.9	P112 I155	P112-E159 HydrophobicContact CB-CB 3.65Å; P112-E159 HydrophobicContact CB-CG 3.99Å; P112-E159 HydrophobicContact CG-CB 4.03Å; P112-E159 HydrophobicContact CG-CG 4.13Å; I155-E159 HydrophobicContact CG2-CG 4.22Å; I155-E159 WeakPolarHBondContact O-CB 3.46Å; I155-E159 PolarHBondContact O-N 3.44Å
160	M	95.5	Very high	97	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.044	23%	0.225	C	C	.	.	S	Bend	trans	-130.3	142.9	-172.5	-49.4	178.1	70.6	0	0	112.1	E113 V116 S156 H164 I166 R167	E113-M160 HydrophobicContact CB-CE 4.37Å; E113-M160 HydrophobicContact CG-CE 3.89Å; V116-M160 HydrophobicContact CB-SD 4.05Å; V116-M160 HydrophobicContact CG1-SD 4.06Å; V116-M160 HydrophobicContact CG2-SD 3.89Å; S156-M160 WeakPolarHBondContact O-CA 3.28Å; S156-M160 VanDerWaalsContact O-CB 3.3Å; S156-M160 WeakPolarHBondContact O-CB 3.45Å; S156-M160 PolarHBondContact O-N 3.01Å; M160-H164 HydrophobicContact CB-CB 4.34Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.21Å; M160-H164 WeakPolarHBondContact CE-ND1 3.19Å; M160-I166 HydrophobicContact CE-CB 3.79Å; M160-I166 HydrophobicContact CE-CG2 4.09Å; M160-R167 HydrophobicContact CB-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.24Å
161	Q	95.1	Very high	97	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	21%	0.211	S	C	*	.			trans	-64.9	146.5	174.9	-62.5	-59.1	-45.4	0	0	111.1	T163 H164 R167 E202	Q161-T163 PolarHBondContact O-N 3.14Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-H164 WeakPolarHBondContact O-CB 3.42Å; Q161-H164 PolarHBondContact O-N 3.15Å; Q161-R167 WeakPolarHBondContact O-CD 3.47Å; Q161-E202 PolarHBondContact OE1-OE2 3.45Å
162	P	96.4	Very high	97	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.6	177.1	-26.4	34.4	0	0	0	114.3	H164 L168 E198 E202	P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.43Å; P162-L168 WeakPolarHBondContact O-CG 3.4Å; P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.37Å; P162-E202 WeakPolarHBondContact CD-OE2 3.46Å
163	T	95.8	Very high	96.9	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.025	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.1	179	52.3	0	0	0	0	114	Q161 A199 E202 L206 S214	Q161-T163 PolarHBondContact O-N 3.14Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; T163-A199 HydrophobicContact CG2-CB 4.27Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; T163-E202 HydrophobicContact CG2-CB 3.93Å; T163-L206 HydrophobicContact CG2-CD1 4.32Å; T163-L206 HydrophobicContact CG2-CG 4.35Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.36Å; T163-S214 WeakPolarHBondContact O-CB 3.33Å; T163-S214 PolarHBondContact O-OG 3.2Å
164	H	95	Very high	96.9	Very high	53 Å²	53	41.2 Å²	41.2	25%	0.245	20%	0.198	C	C	.	.			trans	-67.2	128.4	-176.3	-170.8	-59.5	0	0	0	111.3	M160 Q161 P162 I166 R167 L168	M160-H164 HydrophobicContact CB-CB 4.34Å; M160-H164 HydrophobicContact CE-CB 4.16Å; M160-H164 WeakPolarHBondContact CE-CE1 3.21Å; M160-H164 WeakPolarHBondContact CE-ND1 3.19Å; Q161-H164 WeakPolarHBondContact O-CB 3.42Å; Q161-H164 PolarHBondContact O-N 3.15Å; P162-H164 VanDerWaalsContact C-N 3.3Å; P162-H164 PolarHBondContact O-N 3.43Å; H164-I166 PolarHBondContact ND1-N 2.93Å; H164-I166 VanDerWaalsContact ND1-N 3.15Å; H164-I166 PolarHBondContact O-N 3.42Å; H164-R167 HydrophobicContact CB-CB 4.33Å; H164-R167 PolarHBondContact O-N 2.89Å; H164-L168 PolarHBondContact O-N 2.87Å
165	P	94.9	Very high	96.9	Very high	29 Å²	29	36.3 Å²	36.3	19%	0.188	18%	0.175	C	C	.	.	H	α-helix	trans	-53.5	-43.4	-175.4	-29.6	34.2	0	0	0	115.1	R167 L168 G169 D213 I217	P165-R167 PolarHBondContact O-N 2.82Å; P165-L168 PolarHBondContact O-N 2.81Å; P165-G169 PolarHBondContact O-N 3.09Å; P165-D213 HydrophobicContact CB-CB 4.25Å; P165-D213 HydrophobicContact CG-CB 3.9Å; P165-I217 HydrophobicContact CB-CD1 4.01Å; P165-I217 WeakPolarHBondContact O-CD1 3.39Å
166	I	95.6	Very high	96.9	Very high	35 Å²	35	35.7 Å²	35.7	18%	0.179	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-42.3	175.7	-62.4	173.8	0	0	0	112.4	E113 V116 F117 M160 H164 G169 L170	E113-I166 HydrophobicContact CB-CD1 4.24Å; V116-I166 HydrophobicContact CB-CG2 4.28Å; V116-I166 HydrophobicContact CG1-CG2 3.69Å; F117-I166 HydrophobicContact CB-CD1 4.44Å; F117-I166 HydrophobicContact CD2-CD1 4.18Å; F117-I166 HydrophobicContact CD2-CG1 4.37Å; M160-I166 HydrophobicContact CE-CB 3.79Å; M160-I166 HydrophobicContact CE-CG2 4.09Å; H164-I166 PolarHBondContact ND1-N 2.93Å; H164-I166 VanDerWaalsContact ND1-N 3.15Å; H164-I166 PolarHBondContact O-N 3.42Å; I166-G169 PolarHBondContact O-N 2.83Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.14Å
167	R	97.5	Very high	96.9	Very high	24 Å²	24	35.7 Å²	35.7	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-44	178.5	178.1	174.2	167.9	175.7	-7.6	110.9	M160 Q161 H164 P165 L170 A171 E198	M160-R167 HydrophobicContact CB-CB 4.44Å; M160-R167 PolarHBondContact O-NH1 3.24Å; Q161-R167 WeakPolarHBondContact O-CD 3.47Å; H164-R167 HydrophobicContact CB-CB 4.33Å; H164-R167 PolarHBondContact O-N 2.89Å; P165-R167 PolarHBondContact O-N 2.82Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.44Å; R167-A171 PolarHBondContact O-N 3.21Å; R167-E198 IonicContact CZ-OE2 3.89Å; R167-E198 IonicContact NH2-OE2 2.63Å; R167-E198 PolarHBondContact NH2-OE2 2.98Å
168	L	97.8	Very high	96.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-46.7	174.1	-74.8	172.3	0	0	0	111.9	P162 H164 P165 L170 A171 L172 A199 I217 M218 L221	P162-L168 WeakPolarHBondContact O-CG 3.4Å; H164-L168 PolarHBondContact O-N 2.87Å; P165-L168 PolarHBondContact O-N 2.81Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.39Å; L168-A171 PolarHBondContact O-N 3.5Å; L168-L172 PolarHBondContact O-N 2.95Å; L168-A199 HydrophobicContact CD2-CB 3.8Å; L168-I217 HydrophobicContact CB-CB 4.19Å; L168-I217 HydrophobicContact CB-CD1 4.42Å; L168-I217 HydrophobicContact CB-CG2 3.68Å; L168-M218 HydrophobicContact CD1-CG 4.01Å; L168-M218 HydrophobicContact CD1-SD 4.47Å; L168-M218 HydrophobicContact CD2-CG 4.22Å; L168-L221 HydrophobicContact CD2-CD1 4.12Å
169	G	97.4	Very high	96.9	Very high	11 Å²	11	24.4 Å²	24.4	11%	0.113	12%	0.122	C	C	.	.	H	α-helix	trans	-65.1	-32.5	178.7	0	0	0	0	0	112.7	K120 P165 I166 N173	K120-G169 WeakPolarHBondContact CE-O 3.4Å; P165-G169 PolarHBondContact O-N 3.09Å; I166-G169 PolarHBondContact O-N 2.83Å; G169-N173 PolarHBondContact O-N 3.35Å; G169-N173 VanDerWaalsContact O-N 3.09Å
170	L	98.3	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-49.2	170.5	170.8	62.9	0	0	0	111.3	V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174	V116-L170 HydrophobicContact CG1-CD2 4.02Å; K120-L170 HydrophobicContact CB-CD1 4.05Å; K120-L170 HydrophobicContact CD-CB 4.1Å; K120-L170 HydrophobicContact CG-CB 4.35Å; K120-L170 HydrophobicContact CG-CD1 3.97Å; Y149-L170 HydrophobicContact CD1-CD1 3.63Å; Y149-L170 HydrophobicContact CE1-CD1 4.33Å; A152-L170 VanDerWaalsContact C-CD2 3.45Å; A152-L170 HydrophobicContact CB-CD1 3.84Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.41Å; F153-L170 HydrophobicContact CB-CD2 4.23Å; F153-L170 HydrophobicContact CD2-CD2 4.49Å; I166-L170 WeakPolarHBondContact O-CB 3.5Å; I166-L170 PolarHBondContact O-N 3.14Å; R167-L170 WeakPolarHBondContact O-CB 3.42Å; R167-L170 PolarHBondContact O-N 3.44Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.39Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.39Å; L170-N173 PolarHBondContact O-N 3.22Å; L170-F174 VanDerWaalsContact O-CB 3.28Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å
171	A	98.2	Very high	96.7	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-61	-38.4	178.2	0	0	0	0	0	112.2	R167 L168 S175 A195	R167-A171 PolarHBondContact O-N 3.21Å; L168-A171 PolarHBondContact O-N 3.5Å; A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 3.36Å; A171-S175 PolarHBondContact O-OG 3.26Å; A171-A195 HydrophobicContact CB-CB 3.52Å
172	L	98.1	Very high	96.6	Very high	19 Å²	19	23 Å²	23	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-53.6	173	178.3	65.4	0	0	0	111.2	L168 L170 F174 S175 V176 I217 L220 L221 N224	L168-L172 PolarHBondContact O-N 2.95Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.39Å; L172-F174 PolarHBondContact O-N 3.31Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 PolarHBondContact O-OG 3.45Å; L172-V176 WeakPolarHBondContact O-CG2 3.41Å; L172-V176 PolarHBondContact O-N 3.38Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.38Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.12Å; L172-L220 HydrophobicContact CD2-CB 3.84Å; L172-L220 HydrophobicContact CD2-CD1 3.89Å; L172-L221 HydrophobicContact CB-CD2 3.93Å; L172-L221 HydrophobicContact CB-CG 4.27Å; L172-L221 HydrophobicContact CD1-CD2 3.84Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.45Å
173	N	97.4	Very high	96.5	Very high	30 Å²	30	29.1 Å²	29.1	16%	0.16	15%	0.149	C	C	.	.	H	α-helix	trans	-71	-33.2	-176.4	-73.6	13.5	0	0	0	112.6	K120 D124 Y149 G169 L170 V176 F177	K120-N173 PolarHBondContact NZ-ND2 3.35Å; D124-N173 WeakPolarHBondContact OD1-CB 3.41Å; D124-N173 PolarHBondContact OD1-ND2 3.44Å; D124-N173 PolarHBondContact OD2-ND2 3.46Å; Y149-N173 HydrophobicContact CE1-CB 4.11Å; G169-N173 PolarHBondContact O-N 3.35Å; G169-N173 VanDerWaalsContact O-N 3.09Å; L170-N173 PolarHBondContact O-N 3.22Å; N173-V176 PolarHBondContact O-N 3.13Å; N173-F177 PolarHBondContact O-N 2.98Å
174	F	98.4	Very high	96.5	Very high	2 Å²	2	31 Å²	31	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-73.3	-34	178.3	-165	-169.2	0	0	0	111.9	Y149 Q150 F153 L170 L172 F177 Y178 L191	Y149-F174 HydrophobicContact CD1-CB 4.32Å; Y149-F174 AromaticContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CD2 3.84Å; Y149-F174 HydrophobicContact CD2-CE2 4.25Å; Y149-F174 HydrophobicContact CD2-CG 4.47Å; Y149-F174 HydrophobicContact CG-CB 4.25Å; Y149-F174 AromaticContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CD2 3.82Å; Y149-F174 HydrophobicContact CG-CE2 4.26Å; Y149-F174 HydrophobicContact CG-CG 4.05Å; Q150-F174 HydrophobicContact CB-CZ 4.46Å; F153-F174 HydrophobicContact CB-CD1 4.39Å; F153-F174 HydrophobicContact CB-CE1 4.28Å; L170-F174 VanDerWaalsContact O-CB 3.28Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.46Å; L172-F174 PolarHBondContact O-N 3.31Å; F174-F177 HydrophobicContact CD2-CB 4.37Å; F174-F177 AromaticContact CD2-CD1 3.9Å; F174-F177 HydrophobicContact CD2-CD1 3.9Å; F174-F177 AromaticContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CE1 4.34Å; F174-F177 WeakPolarHBondContact O-CB 3.27Å; F174-F177 PolarHBondContact O-N 3.18Å; F174-Y178 HydrophobicContact CD1-CE2 4.11Å; F174-Y178 AromaticContact CD2-CD2 3.91Å; F174-Y178 HydrophobicContact CD2-CD2 3.91Å; F174-Y178 AromaticContact CD2-CE2 3.53Å; F174-Y178 HydrophobicContact CD2-CE2 3.53Å; F174-Y178 AromaticContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE2-CD2 4.07Å; F174-Y178 HydrophobicContact CE2-CE1 4.34Å; F174-Y178 AromaticContact CE2-CE2 3.31Å; F174-Y178 HydrophobicContact CE2-CE2 3.31Å; F174-Y178 AromaticContact CE2-CZ 3.47Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.47Å; F174-Y178 HydrophobicContact CG-CD2 4.36Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.25Å; F174-Y178 WeakPolarHBondContact O-CD2 3.33Å; F174-Y178 PolarHBondContact O-N 3.12Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.84Å; F174-L191 HydrophobicContact CG-CD2 3.88Å
175	S	98.1	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-43	172.1	61.3	0	0	0	0	111.5	A171 L172 F177 Y178 Y179 A188	A171-S175 WeakPolarHBondContact O-CB 3.41Å; A171-S175 PolarHBondContact O-N 3.36Å; A171-S175 PolarHBondContact O-OG 3.26Å; L172-S175 PolarHBondContact O-N 3.02Å; L172-S175 PolarHBondContact O-OG 3.45Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.25Å; S175-Y178 PolarHBondContact O-N 2.91Å; S175-Y178 VanDerWaalsContact O-N 3.14Å; S175-Y179 PolarHBondContact O-N 2.59Å; S175-A188 WeakPolarHBondContact CB-O 3.43Å; S175-A188 WeakPolarHBondContact O-CB 3.3Å
176	V	96.9	Very high	96.6	Very high	19 Å²	19	36.7 Å²	36.7	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-41.9	172.1	173.2	0	0	0	0	111.3	L172 N173 Y179 E180 N224 W228	L172-V176 WeakPolarHBondContact O-CG2 3.41Å; L172-V176 PolarHBondContact O-N 3.38Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.13Å; V176-Y179 PolarHBondContact O-N 3.43Å; V176-E180 HydrophobicContact CG1-CG 4.07Å; V176-E180 WeakPolarHBondContact O-CB 3.29Å; V176-E180 PolarHBondContact O-N 3.14Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.14Å; V176-W228 HydrophobicContact CG2-CH2 4.16Å; V176-W228 HydrophobicContact CG2-CZ2 4.08Å
177	F	97.5	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-44.1	174.7	174.5	-100.1	0	0	0	112.5	R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182	R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.21Å; V142-F177 HydrophobicContact CG1-CE2 4.46Å; V142-F177 HydrophobicContact CG1-CZ 4.01Å; V142-F177 WeakPolarHBondContact O-CZ 3.09Å; S145-F177 VanDerWaalsContact OG-CD2 3.27Å; S145-F177 WeakPolarHBondContact OG-CD2 3.31Å; S145-F177 WeakPolarHBondContact OG-CE2 3.19Å; Q146-F177 HydrophobicContact CB-CE1 3.73Å; Q146-F177 HydrophobicContact CB-CZ 3.86Å; Q146-F177 HydrophobicContact CG-CE1 4.1Å; Y149-F177 HydrophobicContact CD2-CB 4.23Å; Y149-F177 HydrophobicContact CD2-CD1 4.26Å; Y149-F177 HydrophobicContact CD2-CG 4.08Å; Y149-F177 HydrophobicContact CE2-CB 3.83Å; Y149-F177 HydrophobicContact CE2-CD2 4.15Å; Y149-F177 AromaticContact CE2-CG 3.93Å; Y149-F177 HydrophobicContact CE2-CG 3.93Å; N173-F177 PolarHBondContact O-N 2.98Å; F174-F177 HydrophobicContact CD2-CB 4.37Å; F174-F177 AromaticContact CD2-CD1 3.9Å; F174-F177 HydrophobicContact CD2-CD1 3.9Å; F174-F177 AromaticContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CD1 3.87Å; F174-F177 HydrophobicContact CE2-CE1 4.34Å; F174-F177 WeakPolarHBondContact O-CB 3.27Å; F174-F177 PolarHBondContact O-N 3.18Å; S175-F177 VanDerWaalsContact C-N 3.3Å; S175-F177 PolarHBondContact O-N 3.25Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.4Å; F177-I181 HydrophobicContact CD2-CB 3.71Å; F177-I181 HydrophobicContact CD2-CG1 3.72Å; F177-I181 HydrophobicContact CD2-CG2 4.02Å; F177-I181 HydrophobicContact CE2-CB 3.79Å; F177-I181 HydrophobicContact CE2-CG1 4.16Å; F177-I181 HydrophobicContact CE2-CG2 3.57Å; F177-I181 HydrophobicContact CG-CB 4.44Å; F177-I181 HydrophobicContact CZ-CG2 4.29Å; F177-I181 WeakPolarHBondContact O-CA 3.21Å; F177-I181 VanDerWaalsContact O-CB 3.31Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 PolarHBondContact O-N 2.7Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.29Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.38Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.11Å; F177-L182 HydrophobicContact CZ-CD2 4.25Å; F177-L182 HydrophobicContact CZ-CG 3.94Å; F177-L182 PolarHBondContact O-N 3.29Å; F177-L182 VanDerWaalsContact O-N 3.16Å
178	Y	97.8	Very high	96.6	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-39.1	175.2	-80.8	-60.5	0	0	0	112.4	F174 S175 L182 N183 S184 K187 L191	F174-Y178 HydrophobicContact CD1-CE2 4.11Å; F174-Y178 AromaticContact CD2-CD2 3.91Å; F174-Y178 HydrophobicContact CD2-CD2 3.91Å; F174-Y178 AromaticContact CD2-CE2 3.53Å; F174-Y178 HydrophobicContact CD2-CE2 3.53Å; F174-Y178 AromaticContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE1-CE2 3.92Å; F174-Y178 HydrophobicContact CE2-CD2 4.07Å; F174-Y178 HydrophobicContact CE2-CE1 4.34Å; F174-Y178 AromaticContact CE2-CE2 3.31Å; F174-Y178 HydrophobicContact CE2-CE2 3.31Å; F174-Y178 AromaticContact CE2-CZ 3.47Å; F174-Y178 VanDerWaalsContact CE2-CZ 3.47Å; F174-Y178 HydrophobicContact CG-CD2 4.36Å; F174-Y178 AromaticContact CG-CE2 3.95Å; F174-Y178 HydrophobicContact CG-CE2 3.95Å; F174-Y178 AromaticContact CZ-CE2 3.54Å; F174-Y178 HydrophobicContact CZ-CE2 3.54Å; F174-Y178 AromaticContact CZ-CZ 3.57Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.25Å; F174-Y178 WeakPolarHBondContact O-CD2 3.33Å; F174-Y178 PolarHBondContact O-N 3.12Å; S175-Y178 PolarHBondContact O-N 2.91Å; S175-Y178 VanDerWaalsContact O-N 3.14Å; Y178-L182 HydrophobicContact CD1-CB 4.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 CarbonylContact O-C 3.59Å; Y178-N183 PolarHBondContact O-N 3.21Å; Y178-S184 PolarHBondContact O-N 3.01Å; Y178-K187 HydrophobicContact CD1-CB 4.33Å; Y178-K187 HydrophobicContact CD1-CD 3.7Å; Y178-K187 HydrophobicContact CD1-CG 4.01Å; Y178-K187 HydrophobicContact CD2-CG 4.24Å; Y178-K187 HydrophobicContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CE 3.47Å; Y178-K187 HydrophobicContact CE1-CG 4.11Å; Y178-K187 HydrophobicContact CE2-CD 4.31Å; Y178-K187 HydrophobicContact CE2-CG 4.3Å; Y178-K187 HydrophobicContact CG-CB 4.38Å; Y178-K187 HydrophobicContact CG-CD 4.29Å; Y178-K187 HydrophobicContact CG-CG 4.11Å; Y178-K187 VanDerWaalsContact OH-CE 3.27Å; Y178-K187 WeakPolarHBondContact OH-CE 3.3Å; Y178-K187 PolarHBondContact OH-NZ 3.32Å; Y178-L191 HydrophobicContact CD2-CD2 3.95Å; Y178-L191 HydrophobicContact CE2-CD2 3.97Å
179	Y	96.3	Very high	96.5	Very high	41 Å²	41	39.7 Å²	39.7	16%	0.161	21%	0.205	C	C	.	.	H	α-helix	trans	-72.2	-62.2	-179.5	-161.9	-92.9	0	0	0	111.7	S175 V176 F177 N183 P185 A188 W228 E231	S175-Y179 PolarHBondContact O-N 2.59Å; V176-Y179 PolarHBondContact O-N 3.43Å; F177-Y179 VanDerWaalsContact C-N 3.28Å; F177-Y179 PolarHBondContact O-N 3.4Å; Y179-N183 WeakPolarHBondContact O-CA 3.4Å; Y179-N183 PolarHBondContact O-N 3.06Å; Y179-P185 HydrophobicContact CD2-CB 3.83Å; Y179-P185 HydrophobicContact CE2-CB 3.61Å; Y179-A188 HydrophobicContact CD2-CB 4.07Å; Y179-A188 HydrophobicContact CG-CB 4.45Å; Y179-W228 AromaticContact CD1-CD1 3.82Å; Y179-W228 AromaticContact CD1-CE2 3.96Å; Y179-W228 HydrophobicContact CD1-CG 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.46Å; Y179-W228 HydrophobicContact CD2-CB 4.2Å; Y179-W228 AromaticContact CD2-CD1 3.77Å; Y179-W228 AromaticContact CD2-CD2 3.63Å; Y179-W228 HydrophobicContact CD2-CD2 3.63Å; Y179-W228 AromaticContact CD2-CE2 3.79Å; Y179-W228 HydrophobicContact CD2-CE3 4.2Å; Y179-W228 AromaticContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CZ2 4.46Å; Y179-W228 AromaticContact CD2-NE1 3.86Å; Y179-W228 AromaticContact CE1-CD1 3.42Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.42Å; Y179-W228 HydrophobicContact CE1-CG 4.21Å; Y179-W228 AromaticContact CE1-NE1 3.52Å; Y179-W228 HydrophobicContact CE2-CB 3.57Å; Y179-W228 AromaticContact CE2-CD1 3.4Å; Y179-W228 AromaticContact CE2-CD2 3.89Å; Y179-W228 HydrophobicContact CE2-CD2 3.89Å; Y179-W228 AromaticContact CE2-CG 3.33Å; Y179-W228 HydrophobicContact CE2-CG 3.33Å; Y179-W228 AromaticContact CE2-NE1 3.94Å; Y179-W228 AromaticContact CG-CD1 3.97Å; Y179-W228 HydrophobicContact CG-CD2 4.01Å; Y179-W228 AromaticContact CG-CE2 3.65Å; Y179-W228 HydrophobicContact CG-CG 4.2Å; Y179-W228 HydrophobicContact CG-CZ2 4.05Å; Y179-W228 AromaticContact CG-NE1 3.63Å; Y179-W228 AromaticContact CZ-CD1 3.19Å; Y179-W228 AromaticContact CZ-CG 3.64Å; Y179-W228 AromaticContact CZ-NE1 3.77Å; Y179-E231 PolarHBondContact OH-OE2 3.37Å
180	E	93.4	Very high	96.5	Very high	111 Å²	111	42.6 Å²	42.6	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-79.7	-29	-168.2	-63.8	-176.3	172.8	0	0	113.6	V176	V176-E180 HydrophobicContact CG1-CG 4.07Å; V176-E180 WeakPolarHBondContact O-CB 3.29Å; V176-E180 PolarHBondContact O-N 3.14Å
181	I	94.3	Very high	96.5	Very high	34 Å²	34	43.7 Å²	43.7	17%	0.174	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-44.7	-171.2	-52.5	-60	0	0	0	112.4	R127 E131 V142 F177	R127-I181 HydrophobicContact CG-CD1 4.24Å; R127-I181 HydrophobicContact CG-CG1 3.94Å; E131-I181 HydrophobicContact CG-CD1 4.16Å; V142-I181 HydrophobicContact CB-CG2 4.44Å; V142-I181 HydrophobicContact CG1-CG2 4.17Å; V142-I181 HydrophobicContact CG2-CG2 3.57Å; F177-I181 HydrophobicContact CD2-CB 3.71Å; F177-I181 HydrophobicContact CD2-CG1 3.72Å; F177-I181 HydrophobicContact CD2-CG2 4.02Å; F177-I181 HydrophobicContact CE2-CB 3.79Å; F177-I181 HydrophobicContact CE2-CG1 4.16Å; F177-I181 HydrophobicContact CE2-CG2 3.57Å; F177-I181 HydrophobicContact CG-CB 4.44Å; F177-I181 HydrophobicContact CZ-CG2 4.29Å; F177-I181 WeakPolarHBondContact O-CA 3.21Å; F177-I181 VanDerWaalsContact O-CB 3.31Å; F177-I181 WeakPolarHBondContact O-CB 3.48Å; F177-I181 PolarHBondContact O-N 2.7Å
182	L	94.3	Very high	96.5	Very high	47 Å²	47	43.5 Å²	43.5	25%	0.246	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.4	179.7	-67.1	-177	0	0	0	113.8	V142 F177 Y178 S184	V142-L182 HydrophobicContact CG1-CD2 3.45Å; V142-L182 VanDerWaalsContact CG1-CD2 3.45Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.29Å; F177-L182 HydrophobicContact CE1-CD1 3.42Å; F177-L182 VanDerWaalsContact CE1-CD1 3.42Å; F177-L182 HydrophobicContact CE1-CD2 4.38Å; F177-L182 HydrophobicContact CE1-CG 3.67Å; F177-L182 HydrophobicContact CZ-CD1 4.11Å; F177-L182 HydrophobicContact CZ-CD2 4.25Å; F177-L182 HydrophobicContact CZ-CG 3.94Å; F177-L182 PolarHBondContact O-N 3.29Å; F177-L182 VanDerWaalsContact O-N 3.16Å; Y178-L182 HydrophobicContact CD1-CB 4.42Å; Y178-L182 HydrophobicContact CD1-CD1 3.58Å; Y178-L182 HydrophobicContact CE1-CD1 3.6Å; Y178-L182 CarbonylContact O-C 3.59Å; L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 3.4Å
183	N	94.1	Very high	96.4	Very high	141 Å²	141	48.3 Å²	48.3	75%	0.754	25%	0.248	S	C	*	.			trans	48.1	42.9	-178.5	-163.8	49	0	0	0	112.2	Y178 Y179 P185	Y178-N183 PolarHBondContact O-N 3.21Å; Y179-N183 WeakPolarHBondContact O-CA 3.4Å; Y179-N183 PolarHBondContact O-N 3.06Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.33Å
184	S	96.1	Very high	96.4	Very high	45 Å²	45	50 Å²	50	32%	0.315	26%	0.26	S	S	.	.			trans	-119.7	67.3	-174.8	-64.6	0	0	0	0	110.1	Y178 L182 E186 K187 A188	Y178-S184 PolarHBondContact O-N 3.01Å; L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 3.4Å; S184-E186 VanDerWaalsContact C-N 3.33Å; S184-E186 PolarHBondContact O-N 3.36Å; S184-K187 PolarHBondContact O-N 2.84Å; S184-K187 VanDerWaalsContact O-N 3.13Å; S184-A188 PolarHBondContact O-N 3.25Å
185	P	95.6	Very high	96.4	Very high	35 Å²	35	50.5 Å²	50.5	23%	0.227	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-37.7	-170.6	24.7	-35.1	0	0	0	113	Y179 N183 K187 A188 C189	Y179-P185 HydrophobicContact CD2-CB 3.83Å; Y179-P185 HydrophobicContact CE2-CB 3.61Å; N183-P185 VanDerWaalsContact O-CD 3.29Å; N183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-K187 VanDerWaalsContact C-N 3.31Å; P185-K187 PolarHBondContact O-N 2.66Å; P185-A188 WeakPolarHBondContact O-CB 3.43Å; P185-A188 PolarHBondContact O-N 2.91Å; P185-C189 WeakPolarHBondContact O-CB 3.34Å; P185-C189 PolarHBondContact O-N 2.99Å; P185-C189 PolarHBondContact O-SG 3.22Å; P185-C189 VanDerWaalsContact O-SG 3.41Å
186	E	94.9	Very high	96.3	Very high	165 Å²	165	52.7 Å²	52.7	77%	0.771	27%	0.273	S	S	*	.	H	α-helix	trans	-58.3	-44.1	176	-64.3	-179.5	179.5	0	0	112	S184 S190	S184-E186 VanDerWaalsContact C-N 3.33Å; S184-E186 PolarHBondContact O-N 3.36Å; E186-S190 VanDerWaalsContact O-CB 3.31Å; E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 3.14Å
187	K	96.4	Very high	96.3	Very high	103 Å²	103	55.6 Å²	55.6	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-70.8	-37.5	-180	-167.2	168.7	-177.7	-169	0	111.6	Y178 S184 P185 L191	Y178-K187 HydrophobicContact CD1-CB 4.33Å; Y178-K187 HydrophobicContact CD1-CD 3.7Å; Y178-K187 HydrophobicContact CD1-CG 4.01Å; Y178-K187 HydrophobicContact CD2-CG 4.24Å; Y178-K187 HydrophobicContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CD 3.42Å; Y178-K187 VanDerWaalsContact CE1-CE 3.47Å; Y178-K187 HydrophobicContact CE1-CG 4.11Å; Y178-K187 HydrophobicContact CE2-CD 4.31Å; Y178-K187 HydrophobicContact CE2-CG 4.3Å; Y178-K187 HydrophobicContact CG-CB 4.38Å; Y178-K187 HydrophobicContact CG-CD 4.29Å; Y178-K187 HydrophobicContact CG-CG 4.11Å; Y178-K187 VanDerWaalsContact OH-CE 3.27Å; Y178-K187 WeakPolarHBondContact OH-CE 3.3Å; Y178-K187 PolarHBondContact OH-NZ 3.32Å; S184-K187 PolarHBondContact O-N 2.84Å; S184-K187 VanDerWaalsContact O-N 3.13Å; P185-K187 VanDerWaalsContact C-N 3.31Å; P185-K187 PolarHBondContact O-N 2.66Å; K187-L191 WeakPolarHBondContact O-CB 3.26Å; K187-L191 PolarHBondContact O-N 3.37Å
188	A	97.2	Very high	96.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-52.2	173.5	0	0	0	0	0	111.5	S175 Y179 S184 P185 L191 A192 W228	S175-A188 WeakPolarHBondContact CB-O 3.43Å; S175-A188 WeakPolarHBondContact O-CB 3.3Å; Y179-A188 HydrophobicContact CD2-CB 4.07Å; Y179-A188 HydrophobicContact CG-CB 4.45Å; S184-A188 PolarHBondContact O-N 3.25Å; P185-A188 WeakPolarHBondContact O-CB 3.43Å; P185-A188 PolarHBondContact O-N 2.91Å; A188-L191 PolarHBondContact O-N 3.45Å; A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.39Å; A188-W228 HydrophobicContact CB-CE3 4.33Å; A188-W228 HydrophobicContact CB-CH2 4.45Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å
189	C	96.8	Very high	96.2	Very high	22 Å²	22	58.6 Å²	58.6	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-43.5	178.6	-71.4	0	0	0	0	111.9	P185 L191 A192 K193 L225	P185-C189 WeakPolarHBondContact O-CB 3.34Å; P185-C189 PolarHBondContact O-N 2.99Å; P185-C189 PolarHBondContact O-SG 3.22Å; P185-C189 VanDerWaalsContact O-SG 3.41Å; C189-L191 PolarHBondContact O-N 3.48Å; C189-A192 PolarHBondContact O-N 2.92Å; C189-K193 WeakPolarHBondContact O-CB 3.32Å; C189-K193 PolarHBondContact O-N 2.96Å; C189-L225 HydrophobicContact CB-CD2 4.13Å; C189-L225 WeakPolarHBondContact O-CD2 3.42Å
190	S	97.2	Very high	96.1	Very high	71 Å²	71	60.7 Å²	60.7	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-46.6	176.3	-176.5	0	0	0	0	111.5	E186 T194	E186-S190 VanDerWaalsContact O-CB 3.31Å; E186-S190 WeakPolarHBondContact O-CB 3.44Å; E186-S190 PolarHBondContact O-N 3.14Å; S190-T194 WeakPolarHBondContact O-CB 3.35Å; S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 2.85Å
191	L	97.8	Very high	96.2	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.12	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-47.6	-179.6	178.5	61.8	0	0	0	111.7	F153 F174 Y178 K187 A188 C189 T194 A195	F153-L191 HydrophobicContact CE2-CD1 3.69Å; F153-L191 HydrophobicContact CZ-CD1 3.79Å; F174-L191 HydrophobicContact CB-CD2 3.87Å; F174-L191 HydrophobicContact CD1-CD2 3.84Å; F174-L191 HydrophobicContact CG-CD2 3.88Å; Y178-L191 HydrophobicContact CD2-CD2 3.95Å; Y178-L191 HydrophobicContact CE2-CD2 3.97Å; K187-L191 WeakPolarHBondContact O-CB 3.26Å; K187-L191 PolarHBondContact O-N 3.37Å; A188-L191 PolarHBondContact O-N 3.45Å; C189-L191 PolarHBondContact O-N 3.48Å; L191-T194 PolarHBondContact O-N 3.01Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.19Å
192	A	97.6	Very high	96.1	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-42.9	179.7	0	0	0	0	0	111.6	A188 C189 F196 L221 L225 W228	A188-A192 WeakPolarHBondContact O-CB 3.48Å; A188-A192 PolarHBondContact O-N 3.39Å; C189-A192 PolarHBondContact O-N 2.92Å; A192-F196 WeakPolarHBondContact O-CB 3.21Å; A192-F196 PolarHBondContact O-N 3.49Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CG 3.94Å; A192-W228 HydrophobicContact CB-CZ3 4.28Å
193	K	96.8	Very high	95.9	Very high	120 Å²	120	59.8 Å²	59.8	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-48.3	178.1	-173.2	-176.8	177.2	-162.3	0	111.8	C189 A195 F196 D197 L225	C189-K193 WeakPolarHBondContact O-CB 3.32Å; C189-K193 PolarHBondContact O-N 2.96Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 3Å; K193-F196 PolarHBondContact O-N 2.96Å; K193-D197 WeakPolarHBondContact CE-OD2 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.23Å; K193-D197 VanDerWaalsContact O-CG 3.32Å; K193-D197 PolarHBondContact O-N 3.01Å; K193-L225 HydrophobicContact CB-CD1 4.26Å; K193-L225 HydrophobicContact CB-CD2 4.28Å
194	T	97.6	Very high	95.7	Very high	66 Å²	66	61 Å²	61	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-45.8	177.7	-64.4	0	0	0	0	111.5	S190 L191 F196 D197 E198	S190-T194 WeakPolarHBondContact O-CB 3.35Å; S190-T194 PolarHBondContact O-N 3.47Å; S190-T194 PolarHBondContact O-OG1 2.85Å; L191-T194 PolarHBondContact O-N 3.01Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.46Å; T194-D197 PolarHBondContact O-N 2.95Å; T194-E198 HydrophobicContact CG2-CG 4.24Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.34Å; T194-E198 WeakPolarHBondContact O-CB 3.48Å; T194-E198 VanDerWaalsContact O-CG 3.28Å; T194-E198 WeakPolarHBondContact O-CG 3.47Å; T194-E198 PolarHBondContact O-N 2.58Å
195	A	97.4	Very high	95.2	Very high	12 Å²	12	63.7 Å²	63.7	10%	0.099	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-38.9	178.1	0	0	0	0	0	112.6	A171 L191 K193 A199 L221	A171-A195 HydrophobicContact CB-CB 3.52Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.19Å; K193-A195 VanDerWaalsContact C-N 3.34Å; K193-A195 PolarHBondContact O-N 3Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.9Å; A195-A199 VanDerWaalsContact O-N 3.16Å; A195-L221 HydrophobicContact CB-CD1 4.33Å
196	F	96.9	Very high	94.9	Very high	45 Å²	45	63.9 Å²	63.9	20%	0.197	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-49.4	176.3	-174	-87.7	0	0	0	111.8	A192 K193 T194 A199 I200 M218 L221 R222	A192-F196 WeakPolarHBondContact O-CB 3.21Å; A192-F196 PolarHBondContact O-N 3.49Å; K193-F196 PolarHBondContact O-N 2.96Å; T194-F196 VanDerWaalsContact C-N 3.33Å; T194-F196 PolarHBondContact O-N 3.46Å; F196-A199 PolarHBondContact O-N 3.32Å; F196-I200 HydrophobicContact CD1-CG1 3.93Å; F196-I200 HydrophobicContact CE1-CD1 4.07Å; F196-I200 HydrophobicContact CE1-CG1 3.59Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.07Å; F196-I200 WeakPolarHBondContact O-CG1 3.24Å; F196-I200 PolarHBondContact O-N 3.41Å; F196-M218 HydrophobicContact CD2-CB 4.05Å; F196-M218 WeakPolarHBondContact CD2-O 3.35Å; F196-M218 HydrophobicContact CE2-CB 3.95Å; F196-M218 HydrophobicContact CE2-CE 4.38Å; F196-M218 WeakPolarHBondContact CE2-O 3.46Å; F196-L221 HydrophobicContact CD2-CB 4.36Å; F196-R222 HydrophobicContact CD2-CB 4.46Å; F196-R222 HydrophobicContact CE2-CB 3.97Å
197	D	96.9	Very high	94.4	Very high	81 Å²	81	60.6 Å²	60.6	43%	0.433	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-43	-178	-69.4	-16.8	0	0	0	111.7	K193 T194 A199 I200 A201	K193-D197 WeakPolarHBondContact CE-OD2 3.31Å; K193-D197 WeakPolarHBondContact O-CB 3.23Å; K193-D197 VanDerWaalsContact O-CG 3.32Å; K193-D197 PolarHBondContact O-N 3.01Å; T194-D197 PolarHBondContact O-N 2.95Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.26Å; D197-I200 PolarHBondContact O-N 3.13Å; D197-A201 PolarHBondContact O-N 2.89Å; D197-A201 VanDerWaalsContact O-N 3.15Å
198	E	96	Very high	93.8	Very high	69 Å²	69	62.4 Å²	62.4	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-41.7	175	-72.8	178.9	179.8	0	0	111.7	P162 R167 T194 A201	P162-E198 HydrophobicContact CB-CB 3.87Å; P162-E198 HydrophobicContact CG-CB 4.37Å; R167-E198 IonicContact CZ-OE2 3.89Å; R167-E198 IonicContact NH2-OE2 2.63Å; R167-E198 PolarHBondContact NH2-OE2 2.98Å; T194-E198 HydrophobicContact CG2-CG 4.24Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.34Å; T194-E198 WeakPolarHBondContact O-CB 3.48Å; T194-E198 VanDerWaalsContact O-CG 3.28Å; T194-E198 WeakPolarHBondContact O-CG 3.47Å; T194-E198 PolarHBondContact O-N 2.58Å; E198-A201 PolarHBondContact O-N 3.43Å
199	A	95.8	Very high	92.9	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-71.6	-35.3	179.2	0	0	0	0	0	113	T163 L168 A195 F196 D197 A201 E202 L203 M218	T163-A199 HydrophobicContact CG2-CB 4.27Å; T163-A199 WeakPolarHBondContact CG2-O 3.21Å; L168-A199 HydrophobicContact CD2-CB 3.8Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 2.9Å; A195-A199 VanDerWaalsContact O-N 3.16Å; F196-A199 PolarHBondContact O-N 3.32Å; D197-A199 VanDerWaalsContact C-N 3.35Å; D197-A199 PolarHBondContact O-N 3.26Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.05Å; A199-E202 PolarHBondContact O-N 3.33Å; A199-L203 PolarHBondContact O-N 3.37Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.31Å; A199-M218 HydrophobicContact CB-SD 3.88Å
200	I	94.8	Very high	92.2	Very high	85 Å²	85	70.6 Å²	70.6	44%	0.436	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-41.8	172.9	-74.2	-70.4	0	0	0	111	F196 D197 E202 L203 M218	F196-I200 HydrophobicContact CD1-CG1 3.93Å; F196-I200 HydrophobicContact CE1-CD1 4.07Å; F196-I200 HydrophobicContact CE1-CG1 3.59Å; F196-I200 HydrophobicContact CZ-CD1 4.09Å; F196-I200 HydrophobicContact CZ-CG1 4.07Å; F196-I200 WeakPolarHBondContact O-CG1 3.24Å; F196-I200 PolarHBondContact O-N 3.41Å; D197-I200 PolarHBondContact O-N 3.13Å; I200-E202 PolarHBondContact O-N 3Å; I200-L203 PolarHBondContact O-N 3.44Å; I200-M218 HydrophobicContact CB-CE 4.42Å; I200-M218 HydrophobicContact CD1-CE 3.39Å; I200-M218 HydrophobicContact CG1-CE 3.53Å
201	A	94.9	Very high	91.8	Very high	84 Å²	84	72.3 Å²	72.3	69%	0.694	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-23.7	-178	0	0	0	0	0	113.7	D197 E198 A199	D197-A201 PolarHBondContact O-N 2.89Å; D197-A201 VanDerWaalsContact O-N 3.15Å; E198-A201 PolarHBondContact O-N 3.43Å; A199-A201 VanDerWaalsContact C-N 3.3Å; A199-A201 PolarHBondContact O-N 3.05Å
202	E	93.8	Very high	91.5	Very high	66 Å²	66	77 Å²	77	31%	0.308	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	9.6	-176.3	-64.1	-176.2	-158.1	0	0	113.2	Q161 P162 T163 A199 I200 D204 T205	Q161-E202 PolarHBondContact OE1-OE2 3.45Å; P162-E202 WeakPolarHBondContact CD-OE2 3.46Å; T163-E202 HydrophobicContact CG2-CB 3.93Å; A199-E202 PolarHBondContact O-N 3.33Å; I200-E202 PolarHBondContact O-N 3Å; E202-D204 VanDerWaalsContact C-N 3.25Å; E202-D204 PolarHBondContact O-N 2.86Å; E202-T205 WeakPolarHBondContact O-CB 3.32Å; E202-T205 PolarHBondContact O-N 2.9Å; E202-T205 VanDerWaalsContact O-N 3.1Å; E202-T205 PolarHBondContact O-OG1 3.46Å
203	L	90.1	Very high	91.2	Very high	22 Å²	22	81.2 Å²	81.2	12%	0.115	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-62.1	-33	-172.4	-163	69.9	0	0	0	113	A199 I200 T205 L206 Y211 T215 M218	A199-L203 PolarHBondContact O-N 3.37Å; I200-L203 PolarHBondContact O-N 3.44Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.12Å; L203-L206 HydrophobicContact CD1-CD1 3.88Å; L203-L206 PolarHBondContact O-N 3Å; L203-Y211 HydrophobicContact CD1-CE2 4.37Å; L203-Y211 HydrophobicContact CD2-CE2 3.92Å; L203-Y211 HydrophobicContact CG-CD2 4.33Å; L203-Y211 HydrophobicContact CG-CE2 3.84Å; L203-T215 HydrophobicContact CD1-CG2 4.19Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; L203-M218 HydrophobicContact CD1-CE 4.17Å; L203-M218 HydrophobicContact CD1-SD 3.68Å
204	D	89.1	Confident	91	Very high	167 Å²	167	75.5 Å²	75.5	89%	0.893	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-67	-9.8	-179.9	-66.4	-24.3	0	0	0	113.5	E202	E202-D204 VanDerWaalsContact C-N 3.25Å; E202-D204 PolarHBondContact O-N 2.86Å
205	T	86.4	Confident	90.8	Very high	102 Å²	102	74.4 Å²	74.4	63%	0.626	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-87.9	-9.6	179.7	69.2	0	0	0	0	113.7	E202 L203	E202-T205 WeakPolarHBondContact O-CB 3.32Å; E202-T205 PolarHBondContact O-N 2.9Å; E202-T205 VanDerWaalsContact O-N 3.1Å; E202-T205 PolarHBondContact O-OG1 3.46Å; L203-T205 PolarHBondContact O-N 3.43Å; L203-T205 VanDerWaalsContact O-N 3.12Å
206	L	87.9	Confident	90.7	Very high	38 Å²	38	79 Å²	79	20%	0.199	41%	0.412	C	S	.	.			trans	-79.2	147.7	-173.9	-68.9	-179.1	0	0	0	113.3	T163 L203 Y211	T163-L206 HydrophobicContact CG2-CD1 4.32Å; T163-L206 HydrophobicContact CG2-CG 4.35Å; T163-L206 WeakPolarHBondContact OG1-CD2 3.36Å; L203-L206 HydrophobicContact CD1-CD1 3.88Å; L203-L206 PolarHBondContact O-N 3Å; L206-Y211 HydrophobicContact CB-CD2 4.35Å; L206-Y211 HydrophobicContact CD1-CD2 4.44Å
207	N	85.4	Confident	90.7	Very high	96 Å²	96	78.3 Å²	78.3	51%	0.513	41%	0.41	S	S	.	.			trans	-79.4	165.3	164.4	64.6	42.7	0	0	0	111.3	E209 S210 Y211	N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.26Å; N207-E209 PolarHBondContact OD1-N 3.37Å; N207-S210 PolarHBondContact O-N 2.68Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.33Å; N207-S210 PolarHBondContact OD1-N 2.95Å; N207-S210 PolarHBondContact OD1-OG 2.98Å; N207-Y211 WeakPolarHBondContact O-CB 3.4Å; N207-Y211 PolarHBondContact O-N 2.82Å
208	E	82.6	Confident	90.7	Very high	142 Å²	142	74.8 Å²	74.8	66%	0.664	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-37	-172.8	-162.8	-166.8	150.3	0	0	113.9	K212	E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 IonicContact OE1-NZ 3.9Å; E208-K212 PolarHBondContact OE1-NZ 3.14Å
209	E	78.6	Confident	90.7	Very high	156 Å²	156	74.5 Å²	74.5	73%	0.729	39%	0.389	S	S	*	.	H	α-helix	trans	-68.6	-50.6	-180	-174.2	176.4	-172.5	0	0	111.1	N207 Y211 K212	N207-E209 VanDerWaalsContact C-N 3.32Å; N207-E209 PolarHBondContact O-N 3.26Å; N207-E209 PolarHBondContact OD1-N 3.37Å; E209-Y211 VanDerWaalsContact C-N 3.28Å; E209-Y211 PolarHBondContact O-N 2.92Å; E209-K212 PolarHBondContact O-N 3.15Å
210	S	83	Confident	90.8	Very high	37 Å²	37	78.3 Å²	78.3	26%	0.259	41%	0.409	S	S	.	.	H	α-helix	trans	-67.3	-31.9	178.7	-54.4	0	0	0	0	111.7	N207 K212 D213 S214	N207-S210 PolarHBondContact O-N 2.68Å; N207-S210 VanDerWaalsContact OD1-CB 3.26Å; N207-S210 WeakPolarHBondContact OD1-CB 3.33Å; N207-S210 PolarHBondContact OD1-N 2.95Å; N207-S210 PolarHBondContact OD1-OG 2.98Å; S210-K212 PolarHBondContact O-N 2.92Å; S210-D213 PolarHBondContact O-N 3.22Å; S210-S214 VanDerWaalsContact O-CB 3.32Å; S210-S214 WeakPolarHBondContact O-CB 3.45Å; S210-S214 PolarHBondContact O-N 3.46Å; S210-S214 PolarHBondContact O-OG 3.14Å
211	Y	89.1	Confident	90.9	Very high	108 Å²	108	74.2 Å²	74.2	42%	0.424	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-44.1	178.5	-174.6	-88.5	0	0	0	111.9	L203 L206 N207 E209 T215	L203-Y211 HydrophobicContact CD1-CE2 4.37Å; L203-Y211 HydrophobicContact CD2-CE2 3.92Å; L203-Y211 HydrophobicContact CG-CD2 4.33Å; L203-Y211 HydrophobicContact CG-CE2 3.84Å; L206-Y211 HydrophobicContact CB-CD2 4.35Å; L206-Y211 HydrophobicContact CD1-CD2 4.44Å; N207-Y211 WeakPolarHBondContact O-CB 3.4Å; N207-Y211 PolarHBondContact O-N 2.82Å; E209-Y211 VanDerWaalsContact C-N 3.28Å; E209-Y211 PolarHBondContact O-N 2.92Å; Y211-T215 HydrophobicContact CD1-CG2 3.99Å; Y211-T215 HydrophobicContact CD2-CG2 4.33Å; Y211-T215 HydrophobicContact CE1-CG2 3.68Å; Y211-T215 HydrophobicContact CE2-CG2 4.06Å; Y211-T215 HydrophobicContact CG-CG2 4.3Å; Y211-T215 VanDerWaalsContact O-CB 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.24Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.94Å; Y211-T215 PolarHBondContact O-OG1 2.66Å
212	K	90.5	Very high	90.9	Very high	121 Å²	121	76.1 Å²	76.1	53%	0.526	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-46.1	-179.5	-72.6	174	-173.1	159.7	0	111.6	E208 E209 S210 T215 L216	E208-K212 PolarHBondContact O-N 3.38Å; E208-K212 IonicContact OE1-NZ 3.9Å; E208-K212 PolarHBondContact OE1-NZ 3.14Å; E209-K212 PolarHBondContact O-N 3.15Å; S210-K212 PolarHBondContact O-N 2.92Å; K212-T215 PolarHBondContact O-OG1 2.99Å; K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 3.49Å; K212-L216 VanDerWaalsContact O-N 3.14Å
213	D	90.8	Very high	91.1	Very high	89 Å²	89	76.3 Å²	76.3	48%	0.476	38%	0.381	S	S	.	.	H	α-helix	trans	-68	-45.1	-179.6	-73.7	-8.7	0	0	0	112	P165 S210 L216 I217	P165-D213 HydrophobicContact CB-CB 4.25Å; P165-D213 HydrophobicContact CG-CB 3.9Å; S210-D213 PolarHBondContact O-N 3.22Å; D213-L216 PolarHBondContact O-N 3.34Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.18Å
214	S	93.4	Very high	91.3	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-44.2	-179.8	-61.6	0	0	0	0	112	T163 S210 L216 I217 M218	T163-S214 WeakPolarHBondContact O-CB 3.33Å; T163-S214 PolarHBondContact O-OG 3.2Å; S210-S214 VanDerWaalsContact O-CB 3.32Å; S210-S214 WeakPolarHBondContact O-CB 3.45Å; S210-S214 PolarHBondContact O-N 3.46Å; S210-S214 PolarHBondContact O-OG 3.14Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; S214-I217 PolarHBondContact O-N 3.47Å; S214-M218 VanDerWaalsContact O-CG 3.23Å; S214-M218 WeakPolarHBondContact O-CG 3.48Å; S214-M218 PolarHBondContact O-N 3.42Å
215	T	93.8	Very high	91.6	Very high	42 Å²	42	70.4 Å²	70.4	26%	0.258	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-35	178.9	53.1	0	0	0	0	112.7	L203 Y211 K212 I217 M218 Q219	L203-T215 HydrophobicContact CD1-CG2 4.19Å; L203-T215 HydrophobicContact CD2-CG2 4.37Å; Y211-T215 HydrophobicContact CD1-CG2 3.99Å; Y211-T215 HydrophobicContact CD2-CG2 4.33Å; Y211-T215 HydrophobicContact CE1-CG2 3.68Å; Y211-T215 HydrophobicContact CE2-CG2 4.06Å; Y211-T215 HydrophobicContact CG-CG2 4.3Å; Y211-T215 VanDerWaalsContact O-CB 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.24Å; Y211-T215 WeakPolarHBondContact O-CG2 3.41Å; Y211-T215 PolarHBondContact O-N 2.94Å; Y211-T215 PolarHBondContact O-OG1 2.66Å; K212-T215 PolarHBondContact O-OG1 2.99Å; T215-I217 PolarHBondContact O-N 3.27Å; T215-M218 PolarHBondContact O-N 2.81Å; T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 3.28Å
216	L	94.9	Very high	92	Very high	110 Å²	110	69.6 Å²	69.6	58%	0.576	34%	0.344	S	S	*	.	H	α-helix	trans	-61.1	-43.3	172.9	179.1	62.3	0	0	0	111.7	K212 D213 S214 Q219 L220	K212-L216 WeakPolarHBondContact O-CB 3.48Å; K212-L216 PolarHBondContact O-N 3.49Å; K212-L216 VanDerWaalsContact O-N 3.14Å; D213-L216 PolarHBondContact O-N 3.34Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 2.93Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 2.86Å
217	I	96.4	Very high	92.3	Very high	30 Å²	30	72 Å²	72	15%	0.154	36%	0.356	C	S	.	.	H	α-helix	trans	-72	-39	179.4	-59.4	167.2	0	0	0	111.2	P165 L168 L172 D213 S214 T215 Q219 L220 L221	P165-I217 HydrophobicContact CB-CD1 4.01Å; P165-I217 WeakPolarHBondContact O-CD1 3.39Å; L168-I217 HydrophobicContact CB-CB 4.19Å; L168-I217 HydrophobicContact CB-CD1 4.42Å; L168-I217 HydrophobicContact CB-CG2 3.68Å; L172-I217 HydrophobicContact CB-CG2 4.38Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.18Å; S214-I217 PolarHBondContact O-N 3.47Å; T215-I217 PolarHBondContact O-N 3.27Å; I217-Q219 PolarHBondContact O-N 3.34Å; I217-L220 WeakPolarHBondContact O-CB 3.31Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.13Å; I217-L221 PolarHBondContact O-N 2.91Å
218	M	96.9	Very high	92.7	Very high	7 Å²	7	67.7 Å²	67.7	3%	0.034	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-37.5	173.9	-70.2	169.1	72	0	0	111.6	L168 F196 A199 I200 L203 S214 T215 L221 R222	L168-M218 HydrophobicContact CD1-CG 4.01Å; L168-M218 HydrophobicContact CD1-SD 4.47Å; L168-M218 HydrophobicContact CD2-CG 4.22Å; F196-M218 HydrophobicContact CD2-CB 4.05Å; F196-M218 WeakPolarHBondContact CD2-O 3.35Å; F196-M218 HydrophobicContact CE2-CB 3.95Å; F196-M218 HydrophobicContact CE2-CE 4.38Å; F196-M218 WeakPolarHBondContact CE2-O 3.46Å; A199-M218 HydrophobicContact CB-CE 3.9Å; A199-M218 HydrophobicContact CB-CG 4.31Å; A199-M218 HydrophobicContact CB-SD 3.88Å; I200-M218 HydrophobicContact CB-CE 4.42Å; I200-M218 HydrophobicContact CD1-CE 3.39Å; I200-M218 HydrophobicContact CG1-CE 3.53Å; L203-M218 HydrophobicContact CD1-CE 4.17Å; L203-M218 HydrophobicContact CD1-SD 3.68Å; S214-M218 VanDerWaalsContact O-CG 3.23Å; S214-M218 WeakPolarHBondContact O-CG 3.48Å; S214-M218 PolarHBondContact O-N 3.42Å; T215-M218 PolarHBondContact O-N 2.81Å; M218-L221 WeakPolarHBondContact O-CB 3.33Å; M218-L221 PolarHBondContact O-N 3.41Å; M218-R222 PolarHBondContact O-N 2.78Å
219	Q	96.7	Very high	93	Very high	62 Å²	62	64 Å²	64	29%	0.29	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-45.4	173.3	-179.6	56.2	37.6	0	0	111.5	T215 L216 I217 L221 R222 D223	T215-Q219 WeakPolarHBondContact O-CB 3.28Å; T215-Q219 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.38Å; L216-Q219 PolarHBondContact O-N 2.93Å; I217-Q219 PolarHBondContact O-N 3.34Å; Q219-L221 PolarHBondContact O-N 3.43Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.04Å; Q219-D223 PolarHBondContact NE2-OD1 3.47Å; Q219-D223 PolarHBondContact NE2-OD2 3.03Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 2.74Å
220	L	97	Very high	93.5	Very high	80 Å²	80	59.7 Å²	59.7	42%	0.419	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-38.7	176.6	-64.4	173.1	0	0	0	112.6	L172 L216 I217 R222 D223 N224	L172-L220 HydrophobicContact CD1-CB 4.12Å; L172-L220 HydrophobicContact CD2-CB 3.84Å; L172-L220 HydrophobicContact CD2-CD1 3.89Å; L216-L220 WeakPolarHBondContact O-CG 3.35Å; L216-L220 PolarHBondContact O-N 2.86Å; I217-L220 WeakPolarHBondContact O-CB 3.31Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.13Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.14Å; L220-N224 PolarHBondContact O-N 2.95Å
221	L	96.7	Very high	93.5	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-44.9	173.3	-77.4	168.7	0	0	0	111.4	L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225	L168-L221 HydrophobicContact CD2-CD1 4.12Å; L172-L221 HydrophobicContact CB-CD2 3.93Å; L172-L221 HydrophobicContact CB-CG 4.27Å; L172-L221 HydrophobicContact CD1-CD2 3.84Å; L172-L221 HydrophobicContact CD1-CG 4.09Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A195-L221 HydrophobicContact CB-CD1 4.33Å; F196-L221 HydrophobicContact CD2-CB 4.36Å; I217-L221 PolarHBondContact O-N 2.91Å; M218-L221 WeakPolarHBondContact O-CB 3.33Å; M218-L221 PolarHBondContact O-N 3.41Å; Q219-L221 PolarHBondContact O-N 3.43Å; L221-N224 PolarHBondContact O-N 3.05Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.41Å
222	R	96.5	Very high	92.7	Very high	123 Å²	123	60.3 Å²	60.3	46%	0.464	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-41	177	-172.8	-177.1	74.8	178.2	5	112.1	F196 M218 Q219 L220 L225 T226	F196-R222 HydrophobicContact CD2-CB 4.46Å; F196-R222 HydrophobicContact CE2-CB 3.97Å; M218-R222 PolarHBondContact O-N 2.78Å; Q219-R222 WeakPolarHBondContact O-CB 3.4Å; Q219-R222 PolarHBondContact O-N 3.04Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 3.41Å; R222-T226 PolarHBondContact O-N 3.5Å; R222-T226 PolarHBondContact O-OG1 2.96Å
223	D	96.9	Very high	91.4	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-43.4	-179.8	-65.3	-13.3	0	0	0	110.7	Q219 L220 T226 L227	Q219-D223 PolarHBondContact NE2-OD1 3.47Å; Q219-D223 PolarHBondContact NE2-OD2 3.03Å; Q219-D223 VanDerWaalsContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 2.74Å; L220-D223 PolarHBondContact O-N 3.14Å; D223-T226 PolarHBondContact O-N 2.99Å; D223-L227 PolarHBondContact O-N 3.47Å
224	N	94.9	Very high	89.7	Confident	37 Å²	37	59.6 Å²	59.6	20%	0.198	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-46.7	172.8	-78.1	1.6	0	0	0	112.3	L172 V176 L220 L221 T226 L227 W228	L172-N224 WeakPolarHBondContact CD1-ND2 3.45Å; V176-N224 WeakPolarHBondContact CG2-ND2 3.14Å; L220-N224 PolarHBondContact O-N 2.95Å; L221-N224 PolarHBondContact O-N 3.05Å; N224-T226 VanDerWaalsContact C-N 3.3Å; N224-T226 PolarHBondContact O-N 2.88Å; N224-L227 PolarHBondContact O-N 3.28Å; N224-W228 HydrophobicContact CB-CD2 4.25Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.76Å; N224-W228 HydrophobicContact CB-CZ2 3.8Å; N224-W228 HydrophobicContact CB-CZ3 3.96Å; N224-W228 WeakPolarHBondContact O-CB 3.38Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 2.66Å
225	L	94.9	Very high	87.7	Confident	29 Å²	29	66.5 Å²	66.5	15%	0.152	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-41.8	176.9	-76.7	168.8	0	0	0	112.1	C189 A192 K193 L221 R222 T229	C189-L225 HydrophobicContact CB-CD2 4.13Å; C189-L225 WeakPolarHBondContact O-CD2 3.42Å; A192-L225 HydrophobicContact CB-CD1 4.29Å; A192-L225 HydrophobicContact CB-CD2 3.87Å; A192-L225 HydrophobicContact CB-CG 3.94Å; K193-L225 HydrophobicContact CB-CD1 4.26Å; K193-L225 HydrophobicContact CB-CD2 4.28Å; L221-L225 WeakPolarHBondContact O-CG 3.35Å; L221-L225 PolarHBondContact O-N 3.41Å; R222-L225 PolarHBondContact O-N 3.41Å; L225-T229 VanDerWaalsContact O-CB 3.32Å; L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 WeakPolarHBondContact O-CG2 3.16Å; L225-T229 PolarHBondContact O-N 2.93Å; L225-T229 PolarHBondContact O-OG1 3.34Å
226	T	95	Very high	85.5	Confident	85 Å²	85	72.7 Å²	72.7	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-45.2	178.4	-55.4	0	0	0	0	110.9	R222 D223 N224 T229 S230	R222-T226 PolarHBondContact O-N 3.5Å; R222-T226 PolarHBondContact O-OG1 2.96Å; D223-T226 PolarHBondContact O-N 2.99Å; N224-T226 VanDerWaalsContact C-N 3.3Å; N224-T226 PolarHBondContact O-N 2.88Å; T226-T229 PolarHBondContact O-OG1 2.87Å; T226-S230 WeakPolarHBondContact O-CB 3.42Å; T226-S230 PolarHBondContact O-N 3.2Å; T226-S230 VanDerWaalsContact O-N 3.14Å; T226-S230 PolarHBondContact O-OG 2.89Å
227	L	94	Very high	83	Confident	87 Å²	87	70.5 Å²	70.5	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-60.4	-55	177.4	-178.5	65.5	0	0	0	111.1	D223 N224 T229 S230 E231	D223-L227 PolarHBondContact O-N 3.47Å; N224-L227 PolarHBondContact O-N 3.28Å; L227-T229 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-N 3.28Å; L227-S230 VanDerWaalsContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 3.32Å; L227-E231 PolarHBondContact O-N 3.16Å
228	W	94.6	Very high	80.4	Confident	7 Å²	7	76.7 Å²	76.7	3%	0.027	42%	0.423	C	S	.	.	H	α-helix	trans	-66.7	-35	-174.9	-59.4	-25	0	0	0	113.5	V176 Y179 A188 A192 N224 N232	V176-W228 HydrophobicContact CG2-CH2 4.16Å; V176-W228 HydrophobicContact CG2-CZ2 4.08Å; Y179-W228 AromaticContact CD1-CD1 3.82Å; Y179-W228 AromaticContact CD1-CE2 3.96Å; Y179-W228 HydrophobicContact CD1-CG 4.48Å; Y179-W228 AromaticContact CD1-NE1 3.46Å; Y179-W228 HydrophobicContact CD2-CB 4.2Å; Y179-W228 AromaticContact CD2-CD1 3.77Å; Y179-W228 AromaticContact CD2-CD2 3.63Å; Y179-W228 HydrophobicContact CD2-CD2 3.63Å; Y179-W228 AromaticContact CD2-CE2 3.79Å; Y179-W228 HydrophobicContact CD2-CE3 4.2Å; Y179-W228 AromaticContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CG 3.62Å; Y179-W228 HydrophobicContact CD2-CZ2 4.46Å; Y179-W228 AromaticContact CD2-NE1 3.86Å; Y179-W228 AromaticContact CE1-CD1 3.42Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.42Å; Y179-W228 HydrophobicContact CE1-CG 4.21Å; Y179-W228 AromaticContact CE1-NE1 3.52Å; Y179-W228 HydrophobicContact CE2-CB 3.57Å; Y179-W228 AromaticContact CE2-CD1 3.4Å; Y179-W228 AromaticContact CE2-CD2 3.89Å; Y179-W228 HydrophobicContact CE2-CD2 3.89Å; Y179-W228 AromaticContact CE2-CG 3.33Å; Y179-W228 HydrophobicContact CE2-CG 3.33Å; Y179-W228 AromaticContact CE2-NE1 3.94Å; Y179-W228 AromaticContact CG-CD1 3.97Å; Y179-W228 HydrophobicContact CG-CD2 4.01Å; Y179-W228 AromaticContact CG-CE2 3.65Å; Y179-W228 HydrophobicContact CG-CG 4.2Å; Y179-W228 HydrophobicContact CG-CZ2 4.05Å; Y179-W228 AromaticContact CG-NE1 3.63Å; Y179-W228 AromaticContact CZ-CD1 3.19Å; Y179-W228 AromaticContact CZ-CG 3.64Å; Y179-W228 AromaticContact CZ-NE1 3.77Å; A188-W228 HydrophobicContact CB-CE3 4.33Å; A188-W228 HydrophobicContact CB-CH2 4.45Å; A188-W228 HydrophobicContact CB-CZ3 4.01Å; A192-W228 HydrophobicContact CB-CZ3 4.28Å; N224-W228 HydrophobicContact CB-CD2 4.25Å; N224-W228 HydrophobicContact CB-CE3 4.19Å; N224-W228 HydrophobicContact CB-CH2 3.76Å; N224-W228 HydrophobicContact CB-CZ2 3.8Å; N224-W228 HydrophobicContact CB-CZ3 3.96Å; N224-W228 WeakPolarHBondContact O-CB 3.38Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 2.66Å; W228-N232 PolarHBondContact O-N 3.48Å; W228-N232 VanDerWaalsContact O-N 3.15Å
229	T	89.3	Confident	77.7	Confident	63 Å²	63	80.9 Å²	80.9	39%	0.387	46%	0.458	S	S	.	.	H	α-helix	trans	-71.8	-31.2	175.7	52.6	0	0	0	0	112.4	L225 T226 L227 Q233	L225-T229 VanDerWaalsContact O-CB 3.32Å; L225-T229 WeakPolarHBondContact O-CB 3.45Å; L225-T229 WeakPolarHBondContact O-CG2 3.16Å; L225-T229 PolarHBondContact O-N 2.93Å; L225-T229 PolarHBondContact O-OG1 3.34Å; T226-T229 PolarHBondContact O-OG1 2.87Å; L227-T229 PolarHBondContact O-N 3.07Å; T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 3.23Å
230	S	89.1	Confident	75.3	Confident	66 Å²	66	81 Å²	81	46%	0.462	48%	0.476	S	S	.	.	H	α-helix	trans	-72	-37.3	174.5	72.1	0	0	0	0	113	T226 L227 Q233 G234	T226-S230 WeakPolarHBondContact O-CB 3.42Å; T226-S230 PolarHBondContact O-N 3.2Å; T226-S230 VanDerWaalsContact O-N 3.14Å; T226-S230 PolarHBondContact O-OG 2.89Å; L227-S230 PolarHBondContact O-N 3.28Å; L227-S230 VanDerWaalsContact O-N 3.17Å; L227-S230 PolarHBondContact O-OG 3.32Å; S230-Q233 PolarHBondContact O-N 3.19Å; S230-G234 PolarHBondContact O-N 3.01Å
231	E	82.8	Confident	72.7	Confident	90 Å²	90	87 Å²	87	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-65.7	-45.1	175.9	-70.7	177.7	168.6	0	0	111	Y179 L227 Q233 G234 D235	Y179-E231 PolarHBondContact OH-OE2 3.37Å; L227-E231 PolarHBondContact O-N 3.16Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 3.42Å; E231-G234 PolarHBondContact O-N 3.1Å; E231-G234 VanDerWaalsContact O-N 3.14Å; E231-D235 PolarHBondContact O-N 3.12Å
232	N	71.6	Confident	70.2	Confident	69 Å²	69	90.6 Å²	90.6	37%	0.369	54%	0.539	S	S	.	.	H	α-helix	trans	-64.5	-31.1	178	-81.6	18	0	0	0	113.8	W228 G234	W228-N232 PolarHBondContact O-N 3.48Å; W228-N232 VanDerWaalsContact O-N 3.15Å; N232-G234 VanDerWaalsContact C-N 3.34Å
233	Q	63.8	Low	67.6	Low	143 Å²	143	93.5 Å²	93.5	67%	0.668	56%	0.558	S	S	*	*	H	α-helix	trans	-75.8	-23.4	176.2	-73.8	173.4	26.4	0	0	112.8	T229 S230 E231	T229-Q233 WeakPolarHBondContact O-CG 3.43Å; T229-Q233 PolarHBondContact O-N 3.23Å; S230-Q233 PolarHBondContact O-N 3.19Å; E231-Q233 VanDerWaalsContact C-N 3.31Å; E231-Q233 PolarHBondContact O-N 3.42Å
234	G	54.7	Low	64.7	Low	52 Å²	52	101.8 Å²	101.8	54%	0.536	60%	0.602	S	S	.	*	H	α-helix	trans	-72.9	-32.7	175.4	0	0	0	0	0	113.5	S230 E231 N232	S230-G234 PolarHBondContact O-N 3.01Å; E231-G234 PolarHBondContact O-N 3.1Å; E231-G234 VanDerWaalsContact O-N 3.14Å; N232-G234 VanDerWaalsContact C-N 3.34Å
235	D	52.1	Low	63.1	Low	145 Å²	145	105 Å²	105	78%	0.775	62%	0.622	S	S	*	*	H	α-helix	trans	-79.7	-21.6	179.4	-98.7	-3	0	0	0	113.5	E231 G237	E231-D235 PolarHBondContact O-N 3.12Å; D235-G237 VanDerWaalsContact C-N 3.29Å; D235-G237 PolarHBondContact O-N 3.15Å
236	E	45.7	Very low	61.5	Low	171 Å²	171	109 Å²	109	80%	0.799	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.5	174.6	-72.5	-171.9	162.5	0	0	113.5
237	G	42.3	Very low	59.6	Low	65 Å²	65	110.3 Å²	110.3	67%	0.67	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-9.6	-174.3	0	0	0	0	0	116.9	D235	D235-G237 VanDerWaalsContact C-N 3.29Å; D235-G237 PolarHBondContact O-N 3.15Å
238	D	42.2	Very low	57.6	Low	160 Å²	160	111.7 Å²	111.7	86%	0.856	67%	0.666	S	S	*	*	S	Bend	trans	-112.2	9.3	-173.8	-153.4	28	0	0	0	113.9
239	A	41.3	Very low	55.3	Low	95 Å²	95	118.3 Å²	118.3	79%	0.785	71%	0.705	S	S	*	*	S	Bend	trans	-105.4	22.8	-178.5	0	0	0	0	0	114.4
240	G	45.5	Very low	53	Low	64 Å²	64	121.9 Å²	121.9	66%	0.66	73%	0.727	S	S	*	*	S	Bend	trans	-169.6	65.5	-177	0	0	0	0	0	115.9
241	E	43.3	Very low	50.4	Low	206 Å²	206	125.9 Å²	125.9	96%	0.963	75%	0.746	S	S	*	*			trans	-161.4	84	150.5	-111.2	172.5	-151.2	0	0	110
242	G	43.8	Very low	47.9	Very low	75 Å²	75	128.7 Å²	128.7	77%	0.773	77%	0.771	S	S	*	*			trans	-164.9	30	-178.8	0	0	0	0	0	114.8
243	E	41.8	Very low	46	Very low	184 Å²	184	133.7 Å²	133.7	86%	0.86	80%	0.804	S	S	*	*			trans	-142.2	94.3	164.3	-76.3	-166.9	156.4	0	0	110.2
244	N	35.1	Very low	44.3	Very low	244 Å²	244	132.8 Å²	132.8	100%	1.305	82%	0.817	S	S	*	*				175.9	0	129.6	-88.6	-28.3	0	0	0	111.4

Retrieved 244 of 244 residues in 788.9 ms (Link to these results)

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