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14-3-3 protein epsilon

Positively regulates Ras-mediated pathways. Acts downstream or parallel to Raf, but upstream of nuclear factors in Ras signaling. Three mutants have been isolated, that suppress the rough eye phenotype caused by mutated Ras1 (sev-Ras1 v12). Inhibits yki activity by restricting its nuclear localization. Together with pav, has a role in the inhibition of microtubule sliding during neurite outgrowth¹.

AlphaFold DB , UniProt , Accession P92177, Species DROME (Drosophila melanogaster, Fruit fly), Gene 14-3-3epsilon, Length 262 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	71	Confident	94.8	Very high	165 Å²	165	76.9 Å²	76.9	81%	0.813	36%	0.364	S	S	*	.				0	127.9	0	-69.7	-173.8	-67.9	0	0	108.5	E5 N6	M1-E5 WeakPolarHBondContact CA-OE2 3.08Å; M1-E5 HydrophobicContact CB-CB 4.2Å; M1-N6 WeakPolarHBondContact CB-OD1 3.39Å; M1-N6 WeakPolarHBondContact CE-OD1 3.28Å
2	T	92.6	Very high	95	Very high	77 Å²	77	75.3 Å²	75.3	47%	0.472	35%	0.354	S	S	.	.			trans	-66.7	166.5	172	65.4	0	0	0	0	110.6	R4 E5 N6	T2-R4 PolarHBondContact O-N 3.1Å; T2-E5 PolarHBondContact N-OE2 2.86Å; T2-E5 PolarHBondContact O-N 3.41Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.48Å; T2-E5 PolarHBondContact OG1-N 3.36Å; T2-N6 VanDerWaalsContact O-CG 3.28Å; T2-N6 PolarHBondContact O-N 2.62Å; T2-N6 PolarHBondContact O-ND2 2.78Å
3	E	94.8	Very high	95.3	Very high	133 Å²	133	75.7 Å²	75.7	62%	0.621	36%	0.359	S	S	*	.	H	α-helix	trans	-59.2	-37.6	174.7	-173.8	175.9	-173.2	0	0	112.1	N6 N7 M33	E3-N6 PolarHBondContact O-N 3.18Å; E3-N7 PolarHBondContact O-N 3.22Å; E3-N7 VanDerWaalsContact O-N 3.07Å; E3-N7 PolarHBondContact O-ND2 3.14Å; E3-M33 HydrophobicContact CB-CE 3.98Å; E3-M33 HydrophobicContact CG-CE 3.7Å
4	R	97.7	Very high	95.5	Very high	41 Å²	41	70.8 Å²	70.8	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-61.2	-53	175.6	-169.7	168.5	176.2	137.7	-16.8	111.3	T2 N6 N7 V8 V30 M33 V35 E36 E41	T2-R4 PolarHBondContact O-N 3.1Å; R4-N6 VanDerWaalsContact C-N 3.28Å; R4-N6 PolarHBondContact O-N 3.45Å; R4-N7 PolarHBondContact O-N 3.32Å; R4-N7 VanDerWaalsContact O-N 3.11Å; R4-V8 WeakPolarHBondContact O-CG2 3.45Å; R4-V8 PolarHBondContact O-N 3.29Å; R4-V30 HydrophobicContact CG-CG1 4Å; R4-V30 HydrophobicContact CG-CG2 4.44Å; R4-M33 HydrophobicContact CB-CE 4.26Å; R4-M33 HydrophobicContact CB-SD 3.66Å; R4-M33 HydrophobicContact CG-SD 4.02Å; R4-V35 VanDerWaalsContact NH1-CB 3.33Å; R4-V35 PolarHBondContact NH1-O 3.39Å; R4-E36 PolarHBondContact NH2-O 3.08Å; R4-E41 IonicContact CZ-OE1 3.52Å; R4-E41 IonicContact CZ-OE2 2.95Å; R4-E41 IonicContact NE-OE1 3.57Å; R4-E41 PolarHBondContact NE-OE1 3.46Å; R4-E41 IonicContact NE-OE2 2.7Å; R4-E41 VanDerWaalsContact NH2-CD 3.33Å; R4-E41 IonicContact NH2-OE1 3.44Å; R4-E41 PolarHBondContact NH2-OE1 2.91Å; R4-E41 IonicContact NH2-OE2 3.97Å; R4-E41 PolarHBondContact NH2-OE2 3.41Å
5	E	97.4	Very high	95.6	Very high	103 Å²	103	70.8 Å²	70.8	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-57.8	-40.1	177.9	-71.3	166.3	176.6	0	0	112.1	M1 T2 Y9	M1-E5 WeakPolarHBondContact CA-OE2 3.08Å; M1-E5 HydrophobicContact CB-CB 4.2Å; T2-E5 PolarHBondContact N-OE2 2.86Å; T2-E5 PolarHBondContact O-N 3.41Å; T2-E5 VanDerWaalsContact OG1-CG 3.29Å; T2-E5 WeakPolarHBondContact OG1-CG 3.48Å; T2-E5 PolarHBondContact OG1-N 3.36Å; E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.49Å; E5-Y9 PolarHBondContact O-N 3.33Å
6	N	97.5	Very high	95.7	Very high	60 Å²	60	76.6 Å²	76.6	32%	0.321	36%	0.364	S	S	.	.	H	α-helix	trans	-63.5	-42	176.7	-73.6	-29	0	0	0	112.2	M1 T2 E3 R4 K10	M1-N6 WeakPolarHBondContact CB-OD1 3.39Å; M1-N6 WeakPolarHBondContact CE-OD1 3.28Å; T2-N6 VanDerWaalsContact O-CG 3.28Å; T2-N6 PolarHBondContact O-N 2.62Å; T2-N6 PolarHBondContact O-ND2 2.78Å; E3-N6 PolarHBondContact O-N 3.18Å; R4-N6 VanDerWaalsContact C-N 3.28Å; R4-N6 PolarHBondContact O-N 3.45Å; N6-K10 WeakPolarHBondContact O-CB 3.01Å; N6-K10 VanDerWaalsContact O-CG 3.27Å; N6-K10 WeakPolarHBondContact O-CG 3.33Å; N6-K10 PolarHBondContact O-N 2.98Å
7	N	98.3	Very high	95.8	Very high	7 Å²	7	75.5 Å²	75.5	4%	0.037	37%	0.371	C	S	.	.	H	α-helix	trans	-71.7	-41.1	178.9	-74.7	-56.1	0	0	0	111.7	E3 R4 Y9 K10 A11 A26 K29 V30	E3-N7 PolarHBondContact O-N 3.22Å; E3-N7 VanDerWaalsContact O-N 3.07Å; E3-N7 PolarHBondContact O-ND2 3.14Å; R4-N7 PolarHBondContact O-N 3.32Å; R4-N7 VanDerWaalsContact O-N 3.11Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 3.2Å; N7-K10 PolarHBondContact O-N 3.11Å; N7-A11 PolarHBondContact O-N 2.98Å; N7-A26 HydrophobicContact CB-CB 4.46Å; N7-K29 WeakPolarHBondContact OD1-CD 3.09Å; N7-V30 HydrophobicContact CB-CG2 3.54Å
8	V	98.4	Very high	95.8	Very high	13 Å²	13	79.6 Å²	79.6	8%	0.079	39%	0.389	C	S	.	.	H	α-helix	trans	-60.8	-44.5	174.4	174.6	0	0	0	0	111	R4 K10 A11 K12 V30 E41 L44	R4-V8 WeakPolarHBondContact O-CG2 3.45Å; R4-V8 PolarHBondContact O-N 3.29Å; V8-K10 PolarHBondContact O-N 3.44Å; V8-A11 WeakPolarHBondContact O-CB 3.41Å; V8-A11 PolarHBondContact O-N 3.43Å; V8-K12 WeakPolarHBondContact O-CG 3.41Å; V8-K12 PolarHBondContact O-N 3.29Å; V8-V30 HydrophobicContact CG2-CG1 4.41Å; V8-V30 HydrophobicContact CG2-CG2 3.91Å; V8-E41 HydrophobicContact CG1-CG 4.49Å; V8-E41 HydrophobicContact CG2-CG 3.76Å; V8-L44 HydrophobicContact CG1-CD1 3.97Å
9	Y	98.2	Very high	95.9	Very high	128 Å²	128	82.5 Å²	82.5	50%	0.502	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-40	176.9	-174.8	-112.2	0	0	0	112.4	E5 N7 K12 L13	E5-Y9 VanDerWaalsContact O-CB 3.31Å; E5-Y9 WeakPolarHBondContact O-CB 3.49Å; E5-Y9 PolarHBondContact O-N 3.33Å; N7-Y9 VanDerWaalsContact C-N 3.34Å; N7-Y9 PolarHBondContact O-N 3.2Å; Y9-K12 PolarHBondContact O-N 2.97Å; Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CD1-CG 4.46Å; Y9-L13 HydrophobicContact CE1-CD1 3.57Å; Y9-L13 HydrophobicContact CE1-CG 4.12Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 2.66Å
10	K	98.1	Very high	96	Very high	119 Å²	119	81 Å²	81	52%	0.517	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-42.1	172.9	-77.3	174.7	-179.2	-177.7	0	112.3	N6 N7 V8 K12 L13 A14 A26	N6-K10 WeakPolarHBondContact O-CB 3.01Å; N6-K10 VanDerWaalsContact O-CG 3.27Å; N6-K10 WeakPolarHBondContact O-CG 3.33Å; N6-K10 PolarHBondContact O-N 2.98Å; N7-K10 PolarHBondContact O-N 3.11Å; V8-K10 PolarHBondContact O-N 3.44Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 3.43Å; K10-L13 PolarHBondContact O-N 3.26Å; K10-A14 WeakPolarHBondContact O-CB 3.27Å; K10-A14 PolarHBondContact O-N 3.49Å; K10-A26 HydrophobicContact CB-CB 4.32Å
11	A	98.4	Very high	96.1	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-60.7	-43.1	176.7	0	0	0	0	0	111.4	N7 V8 L13 A14 E15 M23 A26 M27	N7-A11 PolarHBondContact O-N 2.98Å; V8-A11 WeakPolarHBondContact O-CB 3.41Å; V8-A11 PolarHBondContact O-N 3.43Å; A11-L13 PolarHBondContact O-N 3.09Å; A11-A14 PolarHBondContact O-N 2.65Å; A11-E15 WeakPolarHBondContact O-CB 3.34Å; A11-E15 PolarHBondContact O-N 3.09Å; A11-M23 HydrophobicContact CB-CG 3.93Å; A11-A26 HydrophobicContact CB-CB 4.15Å; A11-M27 HydrophobicContact CB-CG 3.75Å; A11-M27 HydrophobicContact CB-SD 3.55Å; A11-M27 VanDerWaalsContact CB-SD 3.55Å
12	K	98.2	Very high	97.4	Very high	58 Å²	58	76.9 Å²	76.9	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-62.7	-40.2	175.1	-68.3	177.4	-179.5	-175	0	113	V8 Y9 K10 Q16 E40 L44	V8-K12 WeakPolarHBondContact O-CG 3.41Å; V8-K12 PolarHBondContact O-N 3.29Å; Y9-K12 PolarHBondContact O-N 2.97Å; K10-K12 VanDerWaalsContact C-N 3.34Å; K10-K12 PolarHBondContact O-N 3.43Å; K12-Q16 WeakPolarHBondContact O-CG 3.39Å; K12-Q16 PolarHBondContact O-N 2.96Å; K12-E40 VanDerWaalsContact CE-CD 3.45Å; K12-E40 WeakPolarHBondContact CE-OE1 3.27Å; K12-E40 IonicContact NZ-OE1 3.63Å; K12-E40 PolarHBondContact NZ-OE1 2.91Å; K12-E40 IonicContact NZ-OE2 2.85Å; K12-E40 PolarHBondContact NZ-OE2 3.15Å; K12-L44 HydrophobicContact CG-CD1 4Å; K12-L44 HydrophobicContact CG-CD2 4.15Å
13	L	98.3	Very high	97.6	Very high	80 Å²	80	73.2 Å²	73.2	42%	0.419	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-40.3	174.5	-69.7	177.3	0	0	0	111.8	Y9 K10 A11 A17	Y9-L13 HydrophobicContact CD1-CD1 3.99Å; Y9-L13 HydrophobicContact CD1-CG 4.46Å; Y9-L13 HydrophobicContact CE1-CD1 3.57Å; Y9-L13 HydrophobicContact CE1-CG 4.12Å; Y9-L13 WeakPolarHBondContact O-CG 3.44Å; Y9-L13 PolarHBondContact O-N 2.66Å; K10-L13 PolarHBondContact O-N 3.26Å; A11-L13 PolarHBondContact O-N 3.09Å; L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.76Å
14	A	98.2	Very high	97.8	Very high	7 Å²	7	67.5 Å²	67.5	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-66.3	-40.4	177.7	0	0	0	0	0	111.6	K10 A11 A17 E18 R19 E22 M23	K10-A14 WeakPolarHBondContact O-CB 3.27Å; K10-A14 PolarHBondContact O-N 3.49Å; A11-A14 PolarHBondContact O-N 2.65Å; A14-A17 CarbonylContact O-C 3.36Å; A14-A17 PolarHBondContact O-N 2.62Å; A14-A17 VanDerWaalsContact O-N 3.14Å; A14-E18 PolarHBondContact O-N 3.21Å; A14-R19 HydrophobicContact CB-CB 4.3Å; A14-R19 PolarHBondContact O-N 3.4Å; A14-E22 HydrophobicContact CB-CB 4.17Å; A14-M23 HydrophobicContact CB-CB 4.13Å
15	E	96.9	Very high	97.8	Very high	71 Å²	71	71.3 Å²	71.3	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-50.5	173.9	-179	-177.8	-151	0	0	111.6	A11 A17 E18 M23 L44	A11-E15 WeakPolarHBondContact O-CB 3.34Å; A11-E15 PolarHBondContact O-N 3.09Å; E15-A17 PolarHBondContact O-N 3.02Å; E15-A17 VanDerWaalsContact O-N 3.15Å; E15-E18 PolarHBondContact O-N 3.31Å; E15-M23 HydrophobicContact CB-CE 4Å; E15-M23 HydrophobicContact CB-SD 4.04Å; E15-M23 HydrophobicContact CG-CE 4.24Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.49Å
16	Q	96.6	Very high	97.9	Very high	163 Å²	163	66.7 Å²	66.7	76%	0.762	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-21.3	177.5	-70	177.8	30.7	0	0	113.6	K12	K12-Q16 WeakPolarHBondContact O-CG 3.39Å; K12-Q16 PolarHBondContact O-N 2.96Å
17	A	97.5	Very high	97.9	Very high	59 Å²	59	63.9 Å²	63.9	49%	0.488	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.5	177	0	0	0	0	0	112.9	L13 A14 E15 R19	L13-A17 WeakPolarHBondContact O-CB 3.41Å; L13-A17 PolarHBondContact O-N 2.76Å; A14-A17 CarbonylContact O-C 3.36Å; A14-A17 PolarHBondContact O-N 2.62Å; A14-A17 VanDerWaalsContact O-N 3.14Å; E15-A17 PolarHBondContact O-N 3.02Å; E15-A17 VanDerWaalsContact O-N 3.15Å; A17-R19 HydrophobicContact CB-CG 3.93Å; A17-R19 VanDerWaalsContact O-CG 3.32Å; A17-R19 WeakPolarHBondContact O-CG 3.41Å; A17-R19 PolarHBondContact O-N 2.86Å
18	E	96.5	Very high	97.9	Very high	148 Å²	148	66.3 Å²	66.3	69%	0.692	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	30.1	-177	-56.8	-179.6	158.3	0	0	113.5	A14 E15 Y20	A14-E18 PolarHBondContact O-N 3.21Å; E15-E18 PolarHBondContact O-N 3.31Å; E18-Y20 HydrophobicContact CB-CE2 4Å; E18-Y20 WeakPolarHBondContact O-CD2 3.32Å; E18-Y20 PolarHBondContact O-N 3.32Å
19	R	98	Very high	97.9	Very high	135 Å²	135	70.5 Å²	70.5	51%	0.509	33%	0.33	S	S	.	.			trans	-95.9	64.1	-180	-55.8	-166.7	75.5	-150.4	-8.9	111	A14 A17 D21 E22 M23	A14-R19 HydrophobicContact CB-CB 4.3Å; A14-R19 PolarHBondContact O-N 3.4Å; A17-R19 HydrophobicContact CB-CG 3.93Å; A17-R19 VanDerWaalsContact O-CG 3.32Å; A17-R19 WeakPolarHBondContact O-CG 3.41Å; A17-R19 PolarHBondContact O-N 2.86Å; R19-D21 VanDerWaalsContact C-N 3.31Å; R19-D21 PolarHBondContact O-N 3.46Å; R19-E22 HydrophobicContact CB-CB 4.42Å; R19-E22 HydrophobicContact CB-CG 4.37Å; R19-E22 WeakPolarHBondContact CD-OE2 3.47Å; R19-E22 IonicContact CZ-OE1 2.62Å; R19-E22 IonicContact CZ-OE2 2.75Å; R19-E22 IonicContact NE-OE1 2.74Å; R19-E22 IonicContact NE-OE2 3.61Å; R19-E22 PolarHBondContact NE-OE2 2.95Å; R19-E22 IonicContact NH1-OE1 3.35Å; R19-E22 PolarHBondContact NH1-OE1 3.32Å; R19-E22 IonicContact NH1-OE2 2.59Å; R19-E22 PolarHBondContact NH1-OE2 2.81Å; R19-E22 VanDerWaalsContact NH2-CD 3.27Å; R19-E22 IonicContact NH2-OE1 3.59Å; R19-E22 PolarHBondContact NH2-OE1 2.92Å; R19-E22 IonicContact NH2-OE2 3.89Å; R19-E22 WeakPolarHBondContact O-CB 3.42Å; R19-E22 PolarHBondContact O-N 3.17Å; R19-M23 PolarHBondContact O-N 3.35Å; R19-M23 VanDerWaalsContact O-N 3.15Å
20	Y	97.7	Very high	97.9	Very high	52 Å²	52	64.4 Å²	64.4	20%	0.204	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-29.7	-170.8	-55.6	-70	0	0	0	114.7	E18 E22 M23 V24 V47 N51	E18-Y20 HydrophobicContact CB-CE2 4Å; E18-Y20 WeakPolarHBondContact O-CD2 3.32Å; E18-Y20 PolarHBondContact O-N 3.32Å; Y20-E22 VanDerWaalsContact C-N 3.31Å; Y20-E22 PolarHBondContact O-N 3.31Å; Y20-M23 HydrophobicContact CD1-SD 4.09Å; Y20-M23 WeakPolarHBondContact O-CB 3.3Å; Y20-M23 PolarHBondContact O-N 2.74Å; Y20-V24 WeakPolarHBondContact O-CG2 3.27Å; Y20-V24 PolarHBondContact O-N 2.98Å; Y20-V47 HydrophobicContact CE1-CG1 4.33Å; Y20-N51 HydrophobicContact CD1-CB 3.58Å; Y20-N51 HydrophobicContact CD2-CB 3.41Å; Y20-N51 VanDerWaalsContact CD2-CB 3.41Å; Y20-N51 HydrophobicContact CE1-CB 3.82Å; Y20-N51 VanDerWaalsContact CE1-CG 3.49Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.41Å; Y20-N51 HydrophobicContact CE2-CB 3.63Å; Y20-N51 HydrophobicContact CG-CB 3.37Å
21	D	97.7	Very high	97.9	Very high	86 Å²	86	58.9 Å²	58.9	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-38.8	174.1	-60.3	-67.8	0	0	0	111.4	R19 V24 E25 R56	R19-D21 VanDerWaalsContact C-N 3.31Å; R19-D21 PolarHBondContact O-N 3.46Å; D21-V24 WeakPolarHBondContact O-CB 3.49Å; D21-V24 PolarHBondContact O-N 3.49Å; D21-E25 PolarHBondContact O-N 3.27Å; D21-R56 IonicContact OD1-NH2 3.66Å; D21-R56 PolarHBondContact OD1-NH2 2.99Å; D21-R56 IonicContact OD2-NH2 3.56Å
22	E	98.1	Very high	97.9	Very high	74 Å²	74	61.5 Å²	61.5	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-72.4	-32.6	175.6	-60.8	-175.2	150.7	0	0	112	A14 R19 Y20 V24 E25 A26	A14-E22 HydrophobicContact CB-CB 4.17Å; R19-E22 HydrophobicContact CB-CB 4.42Å; R19-E22 HydrophobicContact CB-CG 4.37Å; R19-E22 WeakPolarHBondContact CD-OE2 3.47Å; R19-E22 IonicContact CZ-OE1 2.62Å; R19-E22 IonicContact CZ-OE2 2.75Å; R19-E22 IonicContact NE-OE1 2.74Å; R19-E22 IonicContact NE-OE2 3.61Å; R19-E22 PolarHBondContact NE-OE2 2.95Å; R19-E22 IonicContact NH1-OE1 3.35Å; R19-E22 PolarHBondContact NH1-OE1 3.32Å; R19-E22 IonicContact NH1-OE2 2.59Å; R19-E22 PolarHBondContact NH1-OE2 2.81Å; R19-E22 VanDerWaalsContact NH2-CD 3.27Å; R19-E22 IonicContact NH2-OE1 3.59Å; R19-E22 PolarHBondContact NH2-OE1 2.92Å; R19-E22 IonicContact NH2-OE2 3.89Å; R19-E22 WeakPolarHBondContact O-CB 3.42Å; R19-E22 PolarHBondContact O-N 3.17Å; Y20-E22 VanDerWaalsContact C-N 3.31Å; Y20-E22 PolarHBondContact O-N 3.31Å; E22-V24 VanDerWaalsContact C-N 3.35Å; E22-E25 PolarHBondContact O-N 3.03Å; E22-A26 WeakPolarHBondContact O-CB 3.46Å; E22-A26 PolarHBondContact O-N 3.34Å
23	M	98	Very high	97.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.6	-43.6	172.9	-161.3	-171.8	178	0	0	110.5	A11 A14 E15 R19 Y20 A26 M27 L44 V47 A48	A11-M23 HydrophobicContact CB-CG 3.93Å; A14-M23 HydrophobicContact CB-CB 4.13Å; E15-M23 HydrophobicContact CB-CE 4Å; E15-M23 HydrophobicContact CB-SD 4.04Å; E15-M23 HydrophobicContact CG-CE 4.24Å; R19-M23 PolarHBondContact O-N 3.35Å; R19-M23 VanDerWaalsContact O-N 3.15Å; Y20-M23 HydrophobicContact CD1-SD 4.09Å; Y20-M23 WeakPolarHBondContact O-CB 3.3Å; Y20-M23 PolarHBondContact O-N 2.74Å; M23-A26 PolarHBondContact O-N 3.21Å; M23-M27 WeakPolarHBondContact O-CB 3.39Å; M23-M27 WeakPolarHBondContact O-CG 3.42Å; M23-M27 PolarHBondContact O-N 3.15Å; M23-L44 HydrophobicContact CE-CB 3.8Å; M23-L44 HydrophobicContact CE-CD2 3.4Å; M23-L44 HydrophobicContact CE-CG 4.21Å; M23-L44 WeakPolarHBondContact CE-O 3.44Å; M23-V47 HydrophobicContact CE-CB 4.09Å; M23-V47 HydrophobicContact CE-CG1 4.04Å; M23-V47 HydrophobicContact SD-CG1 4.28Å; M23-A48 HydrophobicContact CB-CB 3.76Å; M23-A48 HydrophobicContact CE-CB 4.31Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 HydrophobicContact SD-CB 3.56Å; M23-A48 VanDerWaalsContact SD-CB 3.56Å
24	V	98.4	Very high	97.8	Very high	13 Å²	13	62 Å²	62	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-58.8	-50.9	172.6	166.9	0	0	0	0	110.4	Y20 D21 E22 A26 M27 K28 A48 Y49 V52	Y20-V24 WeakPolarHBondContact O-CG2 3.27Å; Y20-V24 PolarHBondContact O-N 2.98Å; D21-V24 WeakPolarHBondContact O-CB 3.49Å; D21-V24 PolarHBondContact O-N 3.49Å; E22-V24 VanDerWaalsContact C-N 3.35Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 3.04Å; V24-M27 PolarHBondContact O-N 3.23Å; V24-K28 HydrophobicContact CG1-CD 3.65Å; V24-K28 HydrophobicContact CG1-CG 4.16Å; V24-K28 WeakPolarHBondContact O-CB 3.32Å; V24-K28 WeakPolarHBondContact O-CG 3.33Å; V24-K28 PolarHBondContact O-N 3.11Å; V24-A48 HydrophobicContact CG2-CB 3.71Å; V24-Y49 HydrophobicContact CB-CE2 4.47Å; V24-Y49 HydrophobicContact CG1-CD1 4.46Å; V24-Y49 HydrophobicContact CG1-CD2 4.47Å; V24-Y49 HydrophobicContact CG1-CE1 3.8Å; V24-Y49 HydrophobicContact CG1-CE2 3.81Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.46Å; V24-Y49 HydrophobicContact CG2-CD1 4.06Å; V24-Y49 HydrophobicContact CG2-CD2 3.99Å; V24-Y49 HydrophobicContact CG2-CE1 4.22Å; V24-Y49 HydrophobicContact CG2-CE2 4.16Å; V24-Y49 HydrophobicContact CG2-CG 3.96Å; V24-V52 HydrophobicContact CG2-CG2 4.11Å
25	E	98.4	Very high	97.7	Very high	122 Å²	122	65.9 Å²	65.9	57%	0.57	33%	0.328	S	S	*	.	H	α-helix	trans	-57.6	-42.4	179.2	-72.5	-176	-178.7	0	0	113.4	D21 E22 K29	D21-E25 PolarHBondContact O-N 3.27Å; E22-E25 PolarHBondContact O-N 3.03Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.48Å
26	A	98.4	Very high	97.7	Very high	6 Å²	6	65.3 Å²	65.3	5%	0.05	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-47.5	178.7	0	0	0	0	0	111.5	N7 K10 A11 E22 M23 V24 K28 K29 V30	N7-A26 HydrophobicContact CB-CB 4.46Å; K10-A26 HydrophobicContact CB-CB 4.32Å; A11-A26 HydrophobicContact CB-CB 4.15Å; E22-A26 WeakPolarHBondContact O-CB 3.46Å; E22-A26 PolarHBondContact O-N 3.34Å; M23-A26 PolarHBondContact O-N 3.21Å; V24-A26 VanDerWaalsContact C-N 3.32Å; V24-A26 PolarHBondContact O-N 3.04Å; A26-K28 PolarHBondContact O-N 3.31Å; A26-K29 WeakPolarHBondContact O-CB 3.39Å; A26-K29 PolarHBondContact O-N 3.46Å; A26-V30 PolarHBondContact O-N 2.93Å
27	M	98.5	Very high	97.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.8	-28.2	-177	-68.2	-51.2	-53.3	0	0	113.1	A11 M23 V24 K29 V30 A31 E41 L44 L45	A11-M27 HydrophobicContact CB-CG 3.75Å; A11-M27 HydrophobicContact CB-SD 3.55Å; A11-M27 VanDerWaalsContact CB-SD 3.55Å; M23-M27 WeakPolarHBondContact O-CB 3.39Å; M23-M27 WeakPolarHBondContact O-CG 3.42Å; M23-M27 PolarHBondContact O-N 3.15Å; V24-M27 PolarHBondContact O-N 3.23Å; M27-K29 VanDerWaalsContact C-N 3.33Å; M27-K29 PolarHBondContact O-N 3.46Å; M27-V30 HydrophobicContact CE-CB 4.13Å; M27-V30 HydrophobicContact CE-CG1 4.21Å; M27-V30 HydrophobicContact CE-CG2 4.38Å; M27-V30 WeakPolarHBondContact O-CB 3.29Å; M27-V30 PolarHBondContact O-N 3.35Å; M27-V30 HydrophobicContact SD-CG2 4.39Å; M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 3.23Å; M27-E41 HydrophobicContact CE-CB 4Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; M27-L44 HydrophobicContact CE-CB 4.21Å; M27-L44 HydrophobicContact CG-CB 4.23Å; M27-L44 HydrophobicContact SD-CB 3.96Å; M27-L44 HydrophobicContact SD-CD1 4.35Å; M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.6Å; M27-L45 HydrophobicContact CE-CB 4.33Å
28	K	98.2	Very high	97.8	Very high	59 Å²	59	58.8 Å²	58.8	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-41.9	168.7	-74.5	172.5	77.2	170.4	0	112.3	V24 A26 V30 A31 S32 Y49 D99 V103	V24-K28 HydrophobicContact CG1-CD 3.65Å; V24-K28 HydrophobicContact CG1-CG 4.16Å; V24-K28 WeakPolarHBondContact O-CB 3.32Å; V24-K28 WeakPolarHBondContact O-CG 3.33Å; V24-K28 PolarHBondContact O-N 3.11Å; A26-K28 PolarHBondContact O-N 3.31Å; K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 2.88Å; K28-A31 PolarHBondContact O-N 3.27Å; K28-S32 WeakPolarHBondContact O-CB 3.45Å; K28-S32 PolarHBondContact O-N 2.9Å; K28-S32 PolarHBondContact O-OG 2.94Å; K28-Y49 VanDerWaalsContact CD-OH 3.27Å; K28-Y49 WeakPolarHBondContact CD-OH 3.39Å; K28-Y49 HydrophobicContact CG-CE2 4.36Å; K28-Y49 WeakPolarHBondContact CG-OH 3.48Å; K28-D99 WeakPolarHBondContact CD-OD2 3.5Å; K28-D99 VanDerWaalsContact CE-OD1 3.31Å; K28-D99 WeakPolarHBondContact CE-OD1 3.31Å; K28-D99 WeakPolarHBondContact CE-OD2 3.38Å; K28-D99 IonicContact NZ-OD1 3.68Å; K28-D99 PolarHBondContact NZ-OD1 3.24Å; K28-D99 IonicContact NZ-OD2 2.65Å; K28-D99 PolarHBondContact NZ-OD2 3.4Å; K28-V103 HydrophobicContact CG-CG2 4.12Å
29	K	98.2	Very high	97.7	Very high	101 Å²	101	55.7 Å²	55.7	44%	0.439	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-36.7	176.4	-67.8	168.5	-173.9	167.9	0	111.5	N7 E25 A26 M27 M33	N7-K29 WeakPolarHBondContact OD1-CD 3.09Å; E25-K29 WeakPolarHBondContact O-CG 3.46Å; E25-K29 PolarHBondContact O-N 3.48Å; A26-K29 WeakPolarHBondContact O-CB 3.39Å; A26-K29 PolarHBondContact O-N 3.46Å; M27-K29 VanDerWaalsContact C-N 3.33Å; M27-K29 PolarHBondContact O-N 3.46Å; K29-M33 WeakPolarHBondContact O-CG 3.49Å
30	V	98.4	Very high	97.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-46.2	174.7	177.7	0	0	0	0	110.9	R4 N7 V8 A26 M27 K28 S32 M33 L37	R4-V30 HydrophobicContact CG-CG1 4Å; R4-V30 HydrophobicContact CG-CG2 4.44Å; N7-V30 HydrophobicContact CB-CG2 3.54Å; V8-V30 HydrophobicContact CG2-CG1 4.41Å; V8-V30 HydrophobicContact CG2-CG2 3.91Å; A26-V30 PolarHBondContact O-N 2.93Å; M27-V30 HydrophobicContact CE-CB 4.13Å; M27-V30 HydrophobicContact CE-CG1 4.21Å; M27-V30 HydrophobicContact CE-CG2 4.38Å; M27-V30 WeakPolarHBondContact O-CB 3.29Å; M27-V30 PolarHBondContact O-N 3.35Å; M27-V30 HydrophobicContact SD-CG2 4.39Å; K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 2.88Å; V30-S32 PolarHBondContact O-N 3.48Å; V30-M33 WeakPolarHBondContact O-CB 3.49Å; V30-M33 PolarHBondContact O-N 3.03Å; V30-L37 HydrophobicContact CG1-CD2 3.67Å
31	A	98.1	Very high	97.6	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-43.3	178	0	0	0	0	0	112.1	M27 K28 M33 D34 V103 H107 L108	M27-A31 WeakPolarHBondContact O-CB 3.43Å; M27-A31 PolarHBondContact O-N 3.23Å; K28-A31 PolarHBondContact O-N 3.27Å; A31-M33 PolarHBondContact O-N 2.98Å; A31-D34 PolarHBondContact O-N 3.4Å; A31-V103 HydrophobicContact CB-CG1 3.66Å; A31-H107 WeakPolarHBondContact O-CB 3.45Å; A31-L108 HydrophobicContact CB-CD2 3.75Å; A31-L108 HydrophobicContact CB-CG 4.27Å
32	S	97.5	Very high	97.6	Very high	56 Å²	56	48.8 Å²	48.8	39%	0.392	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	3.1	179.3	-63.8	0	0	0	0	115.1	K28 V30 H107	K28-S32 WeakPolarHBondContact O-CB 3.45Å; K28-S32 PolarHBondContact O-N 2.9Å; K28-S32 PolarHBondContact O-OG 2.94Å; V30-S32 PolarHBondContact O-N 3.48Å; S32-H107 PolarHBondContact OG-CD2 3.06Å; S32-H107 PolarHBondContact OG-NE2 2.69Å; S32-H107 VanDerWaalsContact OG-NE2 3.15Å
33	M	97.7	Very high	97.4	Very high	59 Å²	59	46.9 Å²	46.9	29%	0.291	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.2	170.2	-65.4	176.7	-179	0	0	112.9	E3 R4 K29 V30 A31 V35	E3-M33 HydrophobicContact CB-CE 3.98Å; E3-M33 HydrophobicContact CG-CE 3.7Å; R4-M33 HydrophobicContact CB-CE 4.26Å; R4-M33 HydrophobicContact CB-SD 3.66Å; R4-M33 HydrophobicContact CG-SD 4.02Å; K29-M33 WeakPolarHBondContact O-CG 3.49Å; V30-M33 WeakPolarHBondContact O-CB 3.49Å; V30-M33 PolarHBondContact O-N 3.03Å; A31-M33 PolarHBondContact O-N 2.98Å; M33-V35 PolarHBondContact O-N 2.93Å; M33-V35 VanDerWaalsContact O-N 3.12Å
34	D	97.2	Very high	97.4	Very high	89 Å²	89	47.3 Å²	47.3	48%	0.476	25%	0.248	S	C	.	.			trans	54	32.8	177.2	-60.7	-40.1	0	0	0	113.7	A31 H107 C111	A31-D34 PolarHBondContact O-N 3.4Å; D34-H107 IonicContact OD1-CE1 3.56Å; D34-H107 IonicContact OD1-CG 3.57Å; D34-H107 IonicContact OD1-ND1 2.69Å; D34-H107 PolarHBondContact OD1-ND1 3.1Å; D34-H107 IonicContact OD2-ND1 2.7Å; D34-C111 PolarHBondContact O-SG 2.94Å
35	V	96.4	Very high	97.4	Very high	88 Å²	88	46.7 Å²	46.7	53%	0.533	25%	0.245	S	C	.	.	S	Bend	trans	-121.5	128.7	174.9	171.3	0	0	0	0	107.8	R4 M33 L37	R4-V35 VanDerWaalsContact NH1-CB 3.33Å; R4-V35 PolarHBondContact NH1-O 3.39Å; M33-V35 PolarHBondContact O-N 2.93Å; M33-V35 VanDerWaalsContact O-N 3.12Å; V35-L37 PolarHBondContact O-N 2.94Å
36	E	97.2	Very high	97.3	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.28	23%	0.228	S	C	.	.			trans	-45.1	131.9	-178.1	-171.7	163.3	-155.7	0	0	111.6	R4 T113 S117	R4-E36 PolarHBondContact NH2-O 3.08Å; E36-T113 PolarHBondContact OE1-N 3.04Å; E36-T113 PolarHBondContact OE1-OG1 3.44Å; E36-T113 WeakPolarHBondContact OE2-CB 3.28Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.27Å; E36-T113 PolarHBondContact OE2-OG1 2.81Å; E36-S117 PolarHBondContact OE1-OG 3.11Å; E36-S117 VanDerWaalsContact OE1-OG 3.08Å
37	L	98	Very high	97.1	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	24%	0.238	C	C	.	.			trans	-73.6	140.1	178	-59.5	-169.6	0	0	0	109.7	V30 V35 E41 R42 L45 L108	V30-L37 HydrophobicContact CG1-CD2 3.67Å; V35-L37 PolarHBondContact O-N 2.94Å; L37-E41 HydrophobicContact CB-CB 4.02Å; L37-E41 HydrophobicContact CD2-CB 4.27Å; L37-R42 HydrophobicContact CB-CB 4.24Å; L37-L45 HydrophobicContact CD1-CD2 4.18Å; L37-L108 HydrophobicContact CD1-CD2 3.6Å; L37-L108 HydrophobicContact CG-CD2 3.81Å
38	T	97.1	Very high	97.1	Very high	75 Å²	75	44.1 Å²	44.1	46%	0.46	24%	0.238	S	C	.	.			trans	-66.3	163.4	163.6	60.8	0	0	0	0	110.1	E40 E41 R42	T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 PolarHBondContact O-N 3.17Å; T38-E41 WeakPolarHBondContact CB-OE2 3.48Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.39Å; T38-E41 PolarHBondContact N-OE2 2.95Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 VanDerWaalsContact O-N 3.17Å; T38-E41 VanDerWaalsContact OG1-CD 3.26Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.46Å; T38-E41 PolarHBondContact OG1-N 3.09Å; T38-E41 PolarHBondContact OG1-OE2 2.81Å; T38-R42 WeakPolarHBondContact O-CB 3.28Å; T38-R42 PolarHBondContact O-N 3.32Å
39	V	94.6	Very high	97.1	Very high	83 Å²	83	41.4 Å²	41.4	50%	0.503	23%	0.226	S	C	.	.	H	α-helix	trans	-53.3	-44.4	175.2	171.5	0	0	0	0	111.4	R42 N43	V39-R42 PolarHBondContact O-N 3.12Å; V39-N43 WeakPolarHBondContact O-CB 3.34Å; V39-N43 PolarHBondContact O-N 3.1Å; V39-N43 PolarHBondContact O-OD1 2.79Å
40	E	95.7	Very high	96.9	Very high	103 Å²	103	38.1 Å²	38.1	48%	0.481	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-47	178	-174.9	179.3	-141.4	0	0	111.9	K12 T38 N43 L44	K12-E40 VanDerWaalsContact CE-CD 3.45Å; K12-E40 WeakPolarHBondContact CE-OE1 3.27Å; K12-E40 IonicContact NZ-OE1 3.63Å; K12-E40 PolarHBondContact NZ-OE1 2.91Å; K12-E40 IonicContact NZ-OE2 2.85Å; K12-E40 PolarHBondContact NZ-OE2 3.15Å; T38-E40 VanDerWaalsContact C-N 3.25Å; T38-E40 PolarHBondContact O-N 3.17Å; E40-N43 PolarHBondContact O-N 3.16Å; E40-L44 HydrophobicContact CG-CD1 4.33Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.39Å
41	E	97.6	Very high	96.7	Very high	15 Å²	15	40.8 Å²	40.8	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-40.7	179.8	-71.1	164.5	142.8	0	0	112.3	R4 V8 M27 L37 T38 N43 L44 L45	R4-E41 IonicContact CZ-OE1 3.52Å; R4-E41 IonicContact CZ-OE2 2.95Å; R4-E41 IonicContact NE-OE1 3.57Å; R4-E41 PolarHBondContact NE-OE1 3.46Å; R4-E41 IonicContact NE-OE2 2.7Å; R4-E41 VanDerWaalsContact NH2-CD 3.33Å; R4-E41 IonicContact NH2-OE1 3.44Å; R4-E41 PolarHBondContact NH2-OE1 2.91Å; R4-E41 IonicContact NH2-OE2 3.97Å; R4-E41 PolarHBondContact NH2-OE2 3.41Å; V8-E41 HydrophobicContact CG1-CG 4.49Å; V8-E41 HydrophobicContact CG2-CG 3.76Å; M27-E41 HydrophobicContact CE-CB 4Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; L37-E41 HydrophobicContact CB-CB 4.02Å; L37-E41 HydrophobicContact CD2-CB 4.27Å; T38-E41 WeakPolarHBondContact CB-OE2 3.48Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.39Å; T38-E41 PolarHBondContact N-OE2 2.95Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 VanDerWaalsContact O-N 3.17Å; T38-E41 VanDerWaalsContact OG1-CD 3.26Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.46Å; T38-E41 PolarHBondContact OG1-N 3.09Å; T38-E41 PolarHBondContact OG1-OE2 2.81Å; E41-N43 VanDerWaalsContact C-N 3.33Å; E41-L44 PolarHBondContact O-N 3.45Å; E41-L45 PolarHBondContact O-N 2.7Å
42	R	97.3	Very high	96.7	Very high	9 Å²	9	41 Å²	41	3%	0.034	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-44.3	174.9	-179.5	-162	71.6	-158.7	0.9	111	L37 T38 V39 L45 S46 E116 F120 Y121	L37-R42 HydrophobicContact CB-CB 4.24Å; T38-R42 WeakPolarHBondContact O-CB 3.28Å; T38-R42 PolarHBondContact O-N 3.32Å; V39-R42 PolarHBondContact O-N 3.12Å; R42-L45 PolarHBondContact O-N 3Å; R42-S46 PolarHBondContact O-N 3.37Å; R42-E116 IonicContact CZ-OE1 3.46Å; R42-E116 IonicContact NH1-OE1 3.75Å; R42-E116 PolarHBondContact NH1-OE1 2.97Å; R42-E116 IonicContact NH2-OE1 3.53Å; R42-F120 HydrophobicContact CG-CD1 3.61Å; R42-F120 HydrophobicContact CG-CD2 4.47Å; R42-F120 HydrophobicContact CG-CE1 3.42Å; R42-F120 VanDerWaalsContact CG-CE1 3.42Å; R42-F120 HydrophobicContact CG-CE2 4.31Å; R42-F120 HydrophobicContact CG-CG 4.15Å; R42-F120 HydrophobicContact CG-CZ 3.79Å; R42-Y121 HydrophobicContact CG-CE1 3.97Å
43	N	94.7	Very high	96.6	Very high	34 Å²	34	38.3 Å²	38.3	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-41.1	179.5	-73.4	15	0	0	0	111.2	V39 E40 E41 L45 S46 V47 S262	V39-N43 WeakPolarHBondContact O-CB 3.34Å; V39-N43 PolarHBondContact O-N 3.1Å; V39-N43 PolarHBondContact O-OD1 2.79Å; E40-N43 PolarHBondContact O-N 3.16Å; E41-N43 VanDerWaalsContact C-N 3.33Å; N43-L45 PolarHBondContact O-N 3.17Å; N43-S46 PolarHBondContact O-N 3.24Å; N43-V47 WeakPolarHBondContact O-CG2 3.39Å; N43-V47 PolarHBondContact O-N 2.87Å; N43-S262 VanDerWaalsContact CG-OXT 3.32Å; N43-S262 PolarHBondContact ND2-OXT 3Å; N43-S262 PolarHBondContact OD1-OXT 2.94Å
44	L	97.6	Very high	96.4	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-47.2	172.3	-73	170.1	0	0	0	111.9	V8 K12 E15 M23 M27 E40 E41 S46 V47 A48	V8-L44 HydrophobicContact CG1-CD1 3.97Å; K12-L44 HydrophobicContact CG-CD1 4Å; K12-L44 HydrophobicContact CG-CD2 4.15Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.49Å; M23-L44 HydrophobicContact CE-CB 3.8Å; M23-L44 HydrophobicContact CE-CD2 3.4Å; M23-L44 HydrophobicContact CE-CG 4.21Å; M23-L44 WeakPolarHBondContact CE-O 3.44Å; M27-L44 HydrophobicContact CE-CB 4.21Å; M27-L44 HydrophobicContact CG-CB 4.23Å; M27-L44 HydrophobicContact SD-CB 3.96Å; M27-L44 HydrophobicContact SD-CD1 4.35Å; E40-L44 HydrophobicContact CG-CD1 4.33Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.39Å; E41-L44 PolarHBondContact O-N 3.45Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.46Å; L44-V47 PolarHBondContact O-N 2.61Å; L44-A48 WeakPolarHBondContact O-CB 3.2Å; L44-A48 PolarHBondContact O-N 2.98Å
45	L	97.9	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-43.5	176.7	179.8	76.8	0	0	0	111.5	M27 L37 E41 R42 N43 A48 Y49 L108	M27-L45 HydrophobicContact CB-CB 4.18Å; M27-L45 HydrophobicContact CB-CD1 3.6Å; M27-L45 HydrophobicContact CE-CB 4.33Å; L37-L45 HydrophobicContact CD1-CD2 4.18Å; E41-L45 PolarHBondContact O-N 2.7Å; R42-L45 PolarHBondContact O-N 3Å; N43-L45 PolarHBondContact O-N 3.17Å; L45-A48 WeakPolarHBondContact O-CB 3.22Å; L45-A48 PolarHBondContact O-N 3.34Å; L45-Y49 HydrophobicContact CD1-CD2 3.83Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.22Å; L45-Y49 HydrophobicContact CG-CE2 4.49Å; L45-Y49 PolarHBondContact O-N 3.22Å; L45-L108 HydrophobicContact CD2-CD1 3.32Å
46	S	96.3	Very high	96.3	Very high	31 Å²	31	33.5 Å²	33.5	22%	0.217	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-50.4	179.4	-176.1	0	0	0	0	112	R42 N43 L44 A48 Y49 K50	R42-S46 PolarHBondContact O-N 3.37Å; N43-S46 PolarHBondContact O-N 3.24Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.46Å; S46-A48 VanDerWaalsContact C-N 3.27Å; S46-A48 PolarHBondContact O-N 2.95Å; S46-Y49 PolarHBondContact O-N 2.58Å; S46-K50 WeakPolarHBondContact O-CB 3.21Å; S46-K50 PolarHBondContact O-N 3.34Å
47	V	95.8	Very high	96.2	Very high	43 Å²	43	30.7 Å²	30.7	26%	0.261	18%	0.176	S	C	.	.	H	α-helix	trans	-56.9	-41.8	176.8	168.6	0	0	0	0	111.2	Y20 M23 N43 L44 N51	Y20-V47 HydrophobicContact CE1-CG1 4.33Å; M23-V47 HydrophobicContact CE-CB 4.09Å; M23-V47 HydrophobicContact CE-CG1 4.04Å; M23-V47 HydrophobicContact SD-CG1 4.28Å; N43-V47 WeakPolarHBondContact O-CG2 3.39Å; N43-V47 PolarHBondContact O-N 2.87Å; L44-V47 PolarHBondContact O-N 2.61Å; V47-N51 PolarHBondContact O-N 2.88Å; V47-N51 VanDerWaalsContact O-N 3.13Å; V47-N51 PolarHBondContact O-ND2 3.42Å
48	A	97.3	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-57	178.3	0	0	0	0	0	112	M23 V24 L44 L45 S46 V52	M23-A48 HydrophobicContact CB-CB 3.76Å; M23-A48 HydrophobicContact CE-CB 4.31Å; M23-A48 HydrophobicContact CG-CB 3.59Å; M23-A48 HydrophobicContact SD-CB 3.56Å; M23-A48 VanDerWaalsContact SD-CB 3.56Å; V24-A48 HydrophobicContact CG2-CB 3.71Å; L44-A48 WeakPolarHBondContact O-CB 3.2Å; L44-A48 PolarHBondContact O-N 2.98Å; L45-A48 WeakPolarHBondContact O-CB 3.22Å; L45-A48 PolarHBondContact O-N 3.34Å; S46-A48 VanDerWaalsContact C-N 3.27Å; S46-A48 PolarHBondContact O-N 2.95Å; A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.2Å
49	Y	97.8	Very high	96	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-71.4	-33.7	-176.3	-88.4	-76.7	0	0	0	112.8	V24 K28 L45 S46 V52 I53 I96 D99 I100 Y128	V24-Y49 HydrophobicContact CB-CE2 4.47Å; V24-Y49 HydrophobicContact CG1-CD1 4.46Å; V24-Y49 HydrophobicContact CG1-CD2 4.47Å; V24-Y49 HydrophobicContact CG1-CE1 3.8Å; V24-Y49 HydrophobicContact CG1-CE2 3.81Å; V24-Y49 VanDerWaalsContact CG1-CZ 3.46Å; V24-Y49 HydrophobicContact CG2-CD1 4.06Å; V24-Y49 HydrophobicContact CG2-CD2 3.99Å; V24-Y49 HydrophobicContact CG2-CE1 4.22Å; V24-Y49 HydrophobicContact CG2-CE2 4.16Å; V24-Y49 HydrophobicContact CG2-CG 3.96Å; K28-Y49 VanDerWaalsContact CD-OH 3.27Å; K28-Y49 WeakPolarHBondContact CD-OH 3.39Å; K28-Y49 HydrophobicContact CG-CE2 4.36Å; K28-Y49 WeakPolarHBondContact CG-OH 3.48Å; L45-Y49 HydrophobicContact CD1-CD2 3.83Å; L45-Y49 HydrophobicContact CD1-CE2 3.69Å; L45-Y49 HydrophobicContact CG-CD2 4.22Å; L45-Y49 HydrophobicContact CG-CE2 4.49Å; L45-Y49 PolarHBondContact O-N 3.22Å; S46-Y49 PolarHBondContact O-N 2.58Å; Y49-V52 PolarHBondContact O-N 3.46Å; Y49-I53 WeakPolarHBondContact O-CB 3.35Å; Y49-I53 VanDerWaalsContact O-CG2 3.28Å; Y49-I53 WeakPolarHBondContact O-CG2 3.36Å; Y49-I53 PolarHBondContact O-N 2.99Å; Y49-I96 HydrophobicContact CD1-CG2 4.25Å; Y49-D99 HydrophobicContact CE1-CB 4.46Å; Y49-D99 PolarHBondContact OH-OD2 3.08Å; Y49-I100 HydrophobicContact CD1-CB 3.79Å; Y49-I100 HydrophobicContact CD1-CG1 4.39Å; Y49-I100 HydrophobicContact CD1-CG2 4.41Å; Y49-I100 HydrophobicContact CD2-CB 4.47Å; Y49-I100 HydrophobicContact CD2-CD1 3.75Å; Y49-I100 HydrophobicContact CD2-CG1 4.35Å; Y49-I100 HydrophobicContact CE1-CB 3.65Å; Y49-I100 HydrophobicContact CE1-CG2 4.49Å; Y49-I100 HydrophobicContact CE2-CB 4.34Å; Y49-I100 HydrophobicContact CE2-CD1 3.72Å; Y49-I100 HydrophobicContact CE2-CG1 4.46Å; Y49-I100 HydrophobicContact CG-CB 4.19Å; Y49-I100 HydrophobicContact CG-CD1 4.18Å; Y49-I100 HydrophobicContact CG-CG1 4.28Å; Y49-Y128 VanDerWaalsContact C-OH 3.23Å; Y49-Y128 VanDerWaalsContact CB-OH 3.3Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.3Å; Y49-Y128 PolarHBondContact O-OH 2.86Å
50	K	95.4	Very high	96.1	Very high	32 Å²	32	29 Å²	29	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-49.3	175.2	175	-174.5	173.3	172.4	0	111.7	S46 I53 G54 E257 Q259	S46-K50 WeakPolarHBondContact O-CB 3.21Å; S46-K50 PolarHBondContact O-N 3.34Å; K50-I53 WeakPolarHBondContact O-CG2 3.41Å; K50-G54 WeakPolarHBondContact O-CA 3.3Å; K50-G54 PolarHBondContact O-N 2.94Å; K50-E257 WeakPolarHBondContact CE-O 3.3Å; K50-E257 HydrophobicContact CG-CB 4.28Å; K50-E257 HydrophobicContact CG-CG 4.41Å; K50-E257 PolarHBondContact NZ-O 3.38Å; K50-Q259 PolarHBondContact NZ-O 3.27Å
51	N	94.7	Very high	96.1	Very high	56 Å²	56	27.3 Å²	27.3	30%	0.299	16%	0.158	S	C	.	.	H	α-helix	trans	-67.5	-40.6	180	-81.2	-79.4	0	0	0	112.2	Y20 V47 A55	Y20-N51 HydrophobicContact CD1-CB 3.58Å; Y20-N51 HydrophobicContact CD2-CB 3.41Å; Y20-N51 VanDerWaalsContact CD2-CB 3.41Å; Y20-N51 HydrophobicContact CE1-CB 3.82Å; Y20-N51 VanDerWaalsContact CE1-CG 3.49Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.41Å; Y20-N51 HydrophobicContact CE2-CB 3.63Å; Y20-N51 HydrophobicContact CG-CB 3.37Å; V47-N51 PolarHBondContact O-N 2.88Å; V47-N51 VanDerWaalsContact O-N 3.13Å; V47-N51 PolarHBondContact O-ND2 3.42Å; N51-A55 PolarHBondContact O-N 3.44Å
52	V	96.4	Very high	96	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-49.3	177	169.2	0	0	0	0	111.4	V24 A48 Y49 R56 I96	V24-V52 HydrophobicContact CG2-CG2 4.11Å; A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.2Å; Y49-V52 PolarHBondContact O-N 3.46Å; V52-R56 WeakPolarHBondContact O-CD 3.36Å; V52-I96 HydrophobicContact CG1-CD1 3.63Å; V52-I96 HydrophobicContact CG1-CG1 3.85Å; V52-I96 HydrophobicContact CG1-CG2 4.06Å
53	I	96.3	Very high	95.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.6	-39.3	-179.1	-161.7	75.1	0	0	0	111.8	Y49 K50 A55 R56 R57 L93 I96 Y128 Y131	Y49-I53 WeakPolarHBondContact O-CB 3.35Å; Y49-I53 VanDerWaalsContact O-CG2 3.28Å; Y49-I53 WeakPolarHBondContact O-CG2 3.36Å; Y49-I53 PolarHBondContact O-N 2.99Å; K50-I53 WeakPolarHBondContact O-CG2 3.41Å; I53-A55 PolarHBondContact O-N 2.69Å; I53-R56 PolarHBondContact O-N 3.04Å; I53-R56 VanDerWaalsContact O-N 3.17Å; I53-R57 HydrophobicContact CG1-CG 4.24Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 3.34Å; I53-L93 HydrophobicContact CD1-CD2 3.53Å; I53-L93 HydrophobicContact CG1-CD2 4.15Å; I53-I96 HydrophobicContact CB-CG2 4.1Å; I53-I96 HydrophobicContact CD1-CB 3.78Å; I53-I96 HydrophobicContact CD1-CD1 4.26Å; I53-I96 HydrophobicContact CD1-CG2 3.54Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; I53-Y128 HydrophobicContact CB-CE1 3.89Å; I53-Y128 HydrophobicContact CD1-CE1 4.15Å; I53-Y128 HydrophobicContact CG1-CD1 4.48Å; I53-Y128 HydrophobicContact CG1-CE1 3.87Å; I53-Y128 HydrophobicContact CG2-CE1 3.93Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.42Å; I53-Y131 HydrophobicContact CG1-CD2 4.07Å
54	G	94.1	Very high	95.9	Very high	26 Å²	26	31.8 Å²	31.8	27%	0.268	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-45.6	-178.8	0	0	0	0	0	112.2	K50 R56 R57 A58	K50-G54 WeakPolarHBondContact O-CA 3.3Å; K50-G54 PolarHBondContact O-N 2.94Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.85Å; G54-R57 PolarHBondContact O-N 2.87Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.84Å
55	A	93.9	Very high	95.7	Very high	48 Å²	48	33.4 Å²	33.4	40%	0.397	20%	0.195	S	C	.	.	H	α-helix	trans	-60	-41.7	175.8	0	0	0	0	0	112.7	N51 I53 S59	N51-A55 PolarHBondContact O-N 3.44Å; I53-A55 PolarHBondContact O-N 2.69Å; A55-S59 WeakPolarHBondContact O-CB 3.01Å; A55-S59 PolarHBondContact O-N 3.36Å; A55-S59 VanDerWaalsContact O-N 3.1Å; A55-S59 PolarHBondContact O-OG 2.9Å
56	R	96.8	Very high	95.6	Very high	61 Å²	61	37.1 Å²	37.1	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-38.6	178.7	-85	57.5	139.7	-171.2	-7.4	111.6	D21 V52 I53 G54 S59 W60 E92 L93 I96	D21-R56 IonicContact OD1-NH2 3.66Å; D21-R56 PolarHBondContact OD1-NH2 2.99Å; D21-R56 IonicContact OD2-NH2 3.56Å; V52-R56 WeakPolarHBondContact O-CD 3.36Å; I53-R56 PolarHBondContact O-N 3.04Å; I53-R56 VanDerWaalsContact O-N 3.17Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.85Å; R56-S59 WeakPolarHBondContact O-CB 3.38Å; R56-S59 PolarHBondContact O-N 2.99Å; R56-W60 WeakPolarHBondContact O-CB 3.13Å; R56-W60 PolarHBondContact O-N 3.14Å; R56-E92 HydrophobicContact CG-CB 4.31Å; R56-L93 HydrophobicContact CB-CD2 3.56Å; R56-L93 HydrophobicContact CB-CG 4.02Å; R56-I96 HydrophobicContact CB-CD1 4.23Å; R56-I96 HydrophobicContact CG-CD1 3.8Å
57	R	95.6	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-44.7	174.7	-75.9	177.4	70.7	-143.9	9.7	111.4	I53 G54 S59 W60 R61 L93 Y131 E134 D255 E257	I53-R57 HydrophobicContact CG1-CG 4.24Å; I53-R57 WeakPolarHBondContact O-CG 3.33Å; I53-R57 PolarHBondContact O-N 3.34Å; G54-R57 PolarHBondContact O-N 2.87Å; R57-S59 VanDerWaalsContact C-N 3.31Å; R57-S59 PolarHBondContact O-N 2.85Å; R57-W60 PolarHBondContact O-N 3Å; R57-R61 VanDerWaalsContact CZ-NH2 3.33Å; R57-R61 WeakPolarHBondContact O-CG 3.39Å; R57-R61 PolarHBondContact O-N 2.9Å; R57-L93 HydrophobicContact CG-CD2 3.75Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.4Å; R57-Y131 VanDerWaalsContact NE-CD1 3.28Å; R57-E134 IonicContact CZ-OE1 2.71Å; R57-E134 IonicContact CZ-OE2 3.39Å; R57-E134 IonicContact NE-OE1 3.39Å; R57-E134 PolarHBondContact NE-OE1 2.8Å; R57-E134 IonicContact NE-OE2 2.64Å; R57-E134 PolarHBondContact NE-OE2 3.17Å; R57-E134 IonicContact NH2-OE1 2.59Å; R57-E134 PolarHBondContact NH2-OE1 3.39Å; R57-E134 IonicContact NH2-OE2 2.82Å; R57-D255 IonicContact NH1-OD2 3.49Å; R57-D255 IonicContact NH2-OD2 3.48Å; R57-E257 IonicContact NH1-OE2 3.67Å; R57-E257 PolarHBondContact NH1-OE2 3.29Å
58	A	94.2	Very high	95.2	Very high	45 Å²	45	40 Å²	40	37%	0.372	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-44.5	174.8	0	0	0	0	0	111.5	G54 R61 I62	G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.84Å; A58-R61 PolarHBondContact O-N 3.25Å; A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 2.95Å; A58-I62 VanDerWaalsContact O-N 3.08Å
59	S	96.1	Very high	94.9	Very high	52 Å²	52	46.2 Å²	46.2	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-46.4	177.5	-57.6	0	0	0	0	111.2	A55 R56 R57 I62 I63	A55-S59 WeakPolarHBondContact O-CB 3.01Å; A55-S59 PolarHBondContact O-N 3.36Å; A55-S59 VanDerWaalsContact O-N 3.1Å; A55-S59 PolarHBondContact O-OG 2.9Å; R56-S59 WeakPolarHBondContact O-CB 3.38Å; R56-S59 PolarHBondContact O-N 2.99Å; R57-S59 VanDerWaalsContact C-N 3.31Å; R57-S59 PolarHBondContact O-N 2.85Å; S59-I62 PolarHBondContact O-N 3.07Å; S59-I63 WeakPolarHBondContact O-CD1 3.42Å; S59-I63 WeakPolarHBondContact O-CG1 3.33Å; S59-I63 PolarHBondContact O-N 2.83Å
60	W	97.2	Very high	94.6	Very high	34 Å²	34	47.2 Å²	47.2	13%	0.129	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-46	176.9	177	77.9	0	0	0	112.6	R56 R57 I62 I63 T64 V89 E90 L93 E134 F135	R56-W60 WeakPolarHBondContact O-CB 3.13Å; R56-W60 PolarHBondContact O-N 3.14Å; R57-W60 PolarHBondContact O-N 3Å; W60-I62 PolarHBondContact O-N 3.42Å; W60-I63 PolarHBondContact O-N 3.37Å; W60-T64 WeakPolarHBondContact O-CB 3.4Å; W60-T64 PolarHBondContact O-N 2.82Å; W60-T64 PolarHBondContact O-OG1 3.06Å; W60-V89 HydrophobicContact CB-CG1 3.8Å; W60-E90 PolarHBondContact NE1-OE1 3.24Å; W60-L93 HydrophobicContact CB-CD1 3.77Å; W60-L93 HydrophobicContact CG-CD1 3.93Å; W60-E134 HydrophobicContact CH2-CB 4.2Å; W60-E134 WeakPolarHBondContact CH2-O 3.32Å; W60-E134 HydrophobicContact CZ3-CB 4.2Å; W60-F135 HydrophobicContact CD2-CB 4.39Å; W60-F135 HydrophobicContact CH2-CB 4.13Å; W60-F135 HydrophobicContact CZ2-CB 3.39Å
61	R	94.5	Very high	94.2	Very high	69 Å²	69	50.8 Å²	50.8	26%	0.26	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-45.2	176.9	-72.5	178.6	-179.2	127.8	-3.1	112.3	R57 A58 T64 S65	R57-R61 VanDerWaalsContact CZ-NH2 3.33Å; R57-R61 WeakPolarHBondContact O-CG 3.39Å; R57-R61 PolarHBondContact O-N 2.9Å; A58-R61 PolarHBondContact O-N 3.25Å; R61-T64 PolarHBondContact O-N 3.37Å; R61-S65 PolarHBondContact O-N 3.39Å
62	I	95.5	Very high	93.8	Very high	105 Å²	105	54.9 Å²	54.9	54%	0.538	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-47.6	178.2	-70.8	160.4	0	0	0	110.5	A58 S59 W60 T64 S65 I66	A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 2.95Å; A58-I62 VanDerWaalsContact O-N 3.08Å; S59-I62 PolarHBondContact O-N 3.07Å; W60-I62 PolarHBondContact O-N 3.42Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 2.69Å; I62-S65 PolarHBondContact O-N 3.26Å; I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 HydrophobicContact CG2-CG1 4.46Å; I62-I66 WeakPolarHBondContact O-CG1 3.37Å; I62-I66 PolarHBondContact O-N 2.98Å
63	I	96.4	Very high	93.4	Very high	14 Å²	14	61.4 Å²	61.4	7%	0.072	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-43	-178.6	-65.2	160.4	0	0	0	110.6	S59 W60 S65 I66 E67 I82 Y85 R86 V89	S59-I63 WeakPolarHBondContact O-CD1 3.42Å; S59-I63 WeakPolarHBondContact O-CG1 3.33Å; S59-I63 PolarHBondContact O-N 2.83Å; W60-I63 PolarHBondContact O-N 3.37Å; I63-S65 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.44Å; I63-I66 PolarHBondContact O-N 3.48Å; I63-I66 VanDerWaalsContact O-N 3.12Å; I63-E67 PolarHBondContact O-N 3.17Å; I63-I82 HydrophobicContact CG2-CG2 4.05Å; I63-Y85 HydrophobicContact CD1-CD1 3.51Å; I63-Y85 HydrophobicContact CD1-CE1 3.42Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.42Å; I63-Y85 HydrophobicContact CG1-CD1 3.99Å; I63-Y85 HydrophobicContact CG1-CE1 4.05Å; I63-Y85 HydrophobicContact CG2-CD1 4.5Å; I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.37Å; I63-V89 HydrophobicContact CD1-CB 4.34Å; I63-V89 HydrophobicContact CD1-CG2 3.55Å
64	T	95.1	Very high	92.5	Very high	33 Å²	33	64.4 Å²	64.4	20%	0.202	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-40.9	175.9	-60.8	0	0	0	0	111.7	W60 R61 I62 I66 E67 Q68	W60-T64 WeakPolarHBondContact O-CB 3.4Å; W60-T64 PolarHBondContact O-N 2.82Å; W60-T64 PolarHBondContact O-OG1 3.06Å; R61-T64 PolarHBondContact O-N 3.37Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 2.69Å; T64-I66 VanDerWaalsContact C-N 3.35Å; T64-I66 PolarHBondContact O-N 3.07Å; T64-E67 WeakPolarHBondContact O-CB 3.43Å; T64-E67 PolarHBondContact O-N 2.86Å; T64-Q68 WeakPolarHBondContact O-CG 3.45Å; T64-Q68 PolarHBondContact O-N 3.44Å; T64-Q68 VanDerWaalsContact O-N 3.13Å
65	S	93.5	Very high	92	Very high	43 Å²	43	64.7 Å²	64.7	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-65.1	-36.5	174	-174.9	0	0	0	0	112.8	R61 I62 I63 K69	R61-S65 PolarHBondContact O-N 3.39Å; I62-S65 PolarHBondContact O-N 3.26Å; I63-S65 VanDerWaalsContact C-N 3.33Å; I63-S65 PolarHBondContact O-N 3.44Å; S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.45Å; S65-K69 PolarHBondContact OG-NZ 2.89Å
66	I	93.9	Very high	91.8	Very high	79 Å²	79	70.3 Å²	70.3	41%	0.405	37%	0.369	S	S	.	.	H	α-helix	trans	-67.9	-41.4	175.4	-67.6	166	0	0	0	110.7	I62 I63 T64 K69 E70 I82	I62-I66 HydrophobicContact CG2-CD1 3.76Å; I62-I66 HydrophobicContact CG2-CG1 4.46Å; I62-I66 WeakPolarHBondContact O-CG1 3.37Å; I62-I66 PolarHBondContact O-N 2.98Å; I63-I66 PolarHBondContact O-N 3.48Å; I63-I66 VanDerWaalsContact O-N 3.12Å; T64-I66 VanDerWaalsContact C-N 3.35Å; T64-I66 PolarHBondContact O-N 3.07Å; I66-K69 PolarHBondContact O-N 2.94Å; I66-E70 PolarHBondContact O-N 3.09Å; I66-I82 HydrophobicContact CG2-CD1 3.9Å; I66-I82 HydrophobicContact CG2-CG1 4.34Å
67	E	93.4	Very high	91.6	Very high	19 Å²	19	75.5 Å²	75.5	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-56.1	-51.9	176.2	-171.8	173.1	158.5	0	0	111.3	I63 T64 K69 E70 E71 L79 I82 K83 R86	I63-E67 PolarHBondContact O-N 3.17Å; T64-E67 WeakPolarHBondContact O-CB 3.43Å; T64-E67 PolarHBondContact O-N 2.86Å; E67-K69 VanDerWaalsContact C-N 3.29Å; E67-K69 PolarHBondContact O-N 3.3Å; E67-E70 PolarHBondContact O-N 3.5Å; E67-E70 VanDerWaalsContact O-N 3.13Å; E67-E71 WeakPolarHBondContact O-CB 3.39Å; E67-E71 PolarHBondContact O-N 2.9Å; E67-L79 HydrophobicContact CG-CD1 3.88Å; E67-I82 HydrophobicContact CB-CG2 3.62Å; E67-I82 HydrophobicContact CG-CG2 4.11Å; E67-K83 HydrophobicContact CG-CG 4.38Å; E67-K83 VanDerWaalsContact OE1-CE 3.3Å; E67-K83 WeakPolarHBondContact OE1-CE 3.34Å; E67-K83 VanDerWaalsContact OE1-CG 3.31Å; E67-K83 WeakPolarHBondContact OE1-CG 3.43Å; E67-R86 IonicContact OE1-CZ 2.69Å; E67-R86 IonicContact OE1-NE 2.76Å; E67-R86 IonicContact OE1-NH2 3.79Å; E67-R86 PolarHBondContact OE1-NH2 3.3Å; E67-R86 VanDerWaalsContact OE2-CD 3.29Å; E67-R86 WeakPolarHBondContact OE2-CD 3.34Å; E67-R86 IonicContact OE2-CZ 2.79Å; E67-R86 IonicContact OE2-NE 3.72Å; E67-R86 PolarHBondContact OE2-NE 3.4Å; E67-R86 IonicContact OE2-NH2 3.81Å; E67-R86 PolarHBondContact OE2-NH2 3.09Å
68	Q	91.1	Very high	91.5	Very high	116 Å²	116	81.4 Å²	81.4	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-40.4	177.8	-70.2	172.5	-12.8	0	0	112.3	T64 N72	T64-Q68 WeakPolarHBondContact O-CG 3.45Å; T64-Q68 PolarHBondContact O-N 3.44Å; T64-Q68 VanDerWaalsContact O-N 3.13Å; Q68-N72 PolarHBondContact O-ND2 2.95Å; Q68-N72 VanDerWaalsContact O-ND2 3.13Å
69	K	91.4	Very high	91.5	Very high	130 Å²	130	80.6 Å²	80.6	57%	0.565	41%	0.411	S	S	*	.	H	α-helix	trans	-70.1	-32.6	178.5	-73.7	169.5	-177.9	161.7	0	113	S65 I66 E67	S65-K69 WeakPolarHBondContact O-CG 3.49Å; S65-K69 PolarHBondContact O-N 3.45Å; S65-K69 PolarHBondContact OG-NZ 2.89Å; I66-K69 PolarHBondContact O-N 2.94Å; E67-K69 VanDerWaalsContact C-N 3.29Å; E67-K69 PolarHBondContact O-N 3.3Å
70	E	90.3	Very high	91.4	Very high	22 Å²	22	83.7 Å²	83.7	10%	0.103	42%	0.42	C	S	.	.	H	α-helix	trans	-84.1	-32	-178.8	-159.3	66.4	-169.4	0	0	112.2	I66 E67 N72 K73 K78 I82	I66-E70 PolarHBondContact O-N 3.09Å; E67-E70 PolarHBondContact O-N 3.5Å; E67-E70 VanDerWaalsContact O-N 3.13Å; E70-N72 PolarHBondContact O-N 3.37Å; E70-K73 PolarHBondContact O-N 3.46Å; E70-K73 WeakPolarHBondContact OE2-CD 3.37Å; E70-K73 IonicContact OE2-NZ 2.67Å; E70-K73 PolarHBondContact OE2-NZ 2.92Å; E70-K78 HydrophobicContact CG-CB 4.14Å; E70-K78 VanDerWaalsContact OE1-CD 3.29Å; E70-K78 WeakPolarHBondContact OE1-CD 3.46Å; E70-I82 HydrophobicContact CB-CD1 3.65Å; E70-I82 HydrophobicContact CG-CD1 3.81Å
71	E	88.4	Confident	91.4	Very high	107 Å²	107	88.7 Å²	88.7	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-55.7	-39.1	172.7	-171.8	163.5	-140	0	0	111.4	E67 K73 G74 L79	E67-E71 WeakPolarHBondContact O-CB 3.39Å; E67-E71 PolarHBondContact O-N 2.9Å; E71-K73 PolarHBondContact O-N 2.97Å; E71-K73 VanDerWaalsContact O-N 3.17Å; E71-G74 PolarHBondContact O-N 3.34Å; E71-L79 HydrophobicContact CB-CD1 4.11Å; E71-L79 HydrophobicContact CB-CD2 4.39Å; E71-L79 HydrophobicContact CG-CD2 4.31Å
72	N	85.8	Confident	91.5	Very high	143 Å²	143	86.7 Å²	86.7	77%	0.765	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.6	175.9	-70.4	-34.1	0	0	0	115.1	Q68 E70	Q68-N72 PolarHBondContact O-ND2 2.95Å; Q68-N72 VanDerWaalsContact O-ND2 3.13Å; E70-N72 PolarHBondContact O-N 3.37Å
73	K	87	Confident	91.5	Very high	142 Å²	142	85.2 Å²	85.2	62%	0.617	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.8	-178.5	-60.7	-179.6	-160.4	154.6	0	114	E70 E71 A75	E70-K73 PolarHBondContact O-N 3.46Å; E70-K73 WeakPolarHBondContact OE2-CD 3.37Å; E70-K73 IonicContact OE2-NZ 2.67Å; E70-K73 PolarHBondContact OE2-NZ 2.92Å; E71-K73 PolarHBondContact O-N 2.97Å; E71-K73 VanDerWaalsContact O-N 3.17Å; K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 3.43Å
74	G	79	Confident	91.6	Very high	63 Å²	63	88 Å²	88	65%	0.649	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	18.6	179.4	0	0	0	0	0	115.5	E71 E76	E71-G74 PolarHBondContact O-N 3.34Å; G74-E76 PolarHBondContact O-N 3.41Å
75	A	83.7	Confident	91.7	Very high	33 Å²	33	92.6 Å²	92.6	27%	0.273	46%	0.463	S	S	.	.			trans	-88.3	85.5	177.8	0	0	0	0	0	111.5	K73 E77 K78 L79	K73-A75 VanDerWaalsContact C-N 3.33Å; K73-A75 PolarHBondContact O-N 3.43Å; A75-E77 PolarHBondContact O-N 3.14Å; A75-K78 HydrophobicContact CB-CB 4.34Å; A75-K78 HydrophobicContact CB-CD 4.32Å; A75-K78 PolarHBondContact O-N 3.06Å; A75-L79 PolarHBondContact O-N 3.07Å
76	E	89.6	Confident	91.9	Very high	166 Å²	166	93.7 Å²	93.7	78%	0.776	46%	0.46	S	S	*	.	H	α-helix	trans	-56.4	-45.6	-171.9	-66.2	-178.6	178.2	0	0	114.3	G74 K78 L79 E80	G74-E76 PolarHBondContact O-N 3.41Å; E76-K78 PolarHBondContact O-N 3.38Å; E76-L79 PolarHBondContact O-N 2.95Å; E76-E80 PolarHBondContact O-N 3.42Å
77	E	91.6	Very high	92.1	Very high	169 Å²	169	91.2 Å²	91.2	79%	0.79	45%	0.454	S	S	*	.	H	α-helix	trans	-62.3	-42.1	-178.4	-67.1	-176.8	169.8	0	0	112.5	A75 E80 M81	A75-E77 PolarHBondContact O-N 3.14Å; E77-E80 PolarHBondContact O-N 3.5Å; E77-M81 WeakPolarHBondContact O-CG 3.23Å; E77-M81 PolarHBondContact O-N 3.34Å
78	K	92.9	Very high	92.3	Very high	126 Å²	126	95.1 Å²	95.1	55%	0.548	47%	0.472	S	S	.	.	H	α-helix	trans	-69.1	-40.2	177.8	-70.8	-178.2	179.1	177.8	0	111.3	E70 A75 E76 E80 M81 I82	E70-K78 HydrophobicContact CG-CB 4.14Å; E70-K78 VanDerWaalsContact OE1-CD 3.29Å; E70-K78 WeakPolarHBondContact OE1-CD 3.46Å; A75-K78 HydrophobicContact CB-CB 4.34Å; A75-K78 HydrophobicContact CB-CD 4.32Å; A75-K78 PolarHBondContact O-N 3.06Å; E76-K78 PolarHBondContact O-N 3.38Å; K78-E80 VanDerWaalsContact C-N 3.3Å; K78-E80 PolarHBondContact O-N 2.86Å; K78-M81 PolarHBondContact O-N 2.88Å; K78-I82 WeakPolarHBondContact O-CD1 3.26Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.44Å; K78-I82 PolarHBondContact O-N 2.93Å
79	L	94.3	Very high	92.6	Very high	27 Å²	27	89.8 Å²	89.8	14%	0.141	45%	0.448	C	S	.	.	H	α-helix	trans	-60.1	-42.6	177.4	-176.4	61.4	0	0	0	111	E67 E71 A75 E76 I82 K83	E67-L79 HydrophobicContact CG-CD1 3.88Å; E71-L79 HydrophobicContact CB-CD1 4.11Å; E71-L79 HydrophobicContact CB-CD2 4.39Å; E71-L79 HydrophobicContact CG-CD2 4.31Å; A75-L79 PolarHBondContact O-N 3.07Å; E76-L79 PolarHBondContact O-N 2.95Å; L79-I82 PolarHBondContact O-N 3.38Å; L79-K83 HydrophobicContact CG-CD 4.34Å; L79-K83 WeakPolarHBondContact O-CG 3.17Å; L79-K83 PolarHBondContact O-N 3.38Å
80	E	95.2	Very high	93	Very high	117 Å²	117	84.6 Å²	84.6	55%	0.547	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-39.6	177.5	-170.7	57.5	-154.6	0	0	112.5	E76 E77 K78 I82 K83 T84	E76-E80 PolarHBondContact O-N 3.42Å; E77-E80 PolarHBondContact O-N 3.5Å; K78-E80 VanDerWaalsContact C-N 3.3Å; K78-E80 PolarHBondContact O-N 2.86Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.38Å; E80-K83 PolarHBondContact O-N 3.32Å; E80-T84 WeakPolarHBondContact O-CB 3.24Å; E80-T84 PolarHBondContact O-N 3.25Å; E80-T84 PolarHBondContact O-OG1 3.37Å
81	M	96	Very high	93.4	Very high	140 Å²	140	89 Å²	89	69%	0.69	44%	0.444	S	S	*	.	H	α-helix	trans	-61	-42.5	173	-70.7	178.8	66.7	0	0	112	E77 K78 T84 Y85	E77-M81 WeakPolarHBondContact O-CG 3.23Å; E77-M81 PolarHBondContact O-N 3.34Å; K78-M81 PolarHBondContact O-N 2.88Å; M81-T84 PolarHBondContact O-N 3.11Å; M81-Y85 PolarHBondContact O-N 2.91Å
82	I	96.4	Very high	93.8	Very high	27 Å²	27	88.2 Å²	88.2	14%	0.138	44%	0.441	C	S	.	.	H	α-helix	trans	-64.8	-46.2	178.3	-66.4	159.1	0	0	0	110.4	I63 I66 E67 E70 K78 L79 E80 T84 Y85 R86	I63-I82 HydrophobicContact CG2-CG2 4.05Å; I66-I82 HydrophobicContact CG2-CD1 3.9Å; I66-I82 HydrophobicContact CG2-CG1 4.34Å; E67-I82 HydrophobicContact CB-CG2 3.62Å; E67-I82 HydrophobicContact CG-CG2 4.11Å; E70-I82 HydrophobicContact CB-CD1 3.65Å; E70-I82 HydrophobicContact CG-CD1 3.81Å; K78-I82 WeakPolarHBondContact O-CD1 3.26Å; K78-I82 VanDerWaalsContact O-CG1 3.27Å; K78-I82 WeakPolarHBondContact O-CG1 3.44Å; K78-I82 PolarHBondContact O-N 2.93Å; L79-I82 PolarHBondContact O-N 3.38Å; E80-I82 VanDerWaalsContact C-N 3.34Å; E80-I82 PolarHBondContact O-N 3.38Å; I82-T84 VanDerWaalsContact C-N 3.34Å; I82-T84 PolarHBondContact O-N 3.25Å; I82-Y85 PolarHBondContact O-N 3.13Å; I82-R86 PolarHBondContact O-N 3.4Å
83	K	96.7	Very high	94.4	Very high	73 Å²	73	81.5 Å²	81.5	32%	0.317	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-44.1	177.1	-77.3	176.1	178.3	179.1	0	112.1	E67 L79 E80 Y85 R86 G87	E67-K83 HydrophobicContact CG-CG 4.38Å; E67-K83 VanDerWaalsContact OE1-CE 3.3Å; E67-K83 WeakPolarHBondContact OE1-CE 3.34Å; E67-K83 VanDerWaalsContact OE1-CG 3.31Å; E67-K83 WeakPolarHBondContact OE1-CG 3.43Å; L79-K83 HydrophobicContact CG-CD 4.34Å; L79-K83 WeakPolarHBondContact O-CG 3.17Å; L79-K83 PolarHBondContact O-N 3.38Å; E80-K83 PolarHBondContact O-N 3.32Å; K83-Y85 VanDerWaalsContact C-N 3.34Å; K83-Y85 PolarHBondContact O-N 3.25Å; K83-R86 PolarHBondContact O-N 2.95Å; K83-G87 PolarHBondContact O-N 3.05Å
84	T	97.7	Very high	95	Very high	73 Å²	73	79.1 Å²	79.1	45%	0.448	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-45.5	176.1	-62.5	0	0	0	0	111.2	E80 M81 I82 G87 Q88	E80-T84 WeakPolarHBondContact O-CB 3.24Å; E80-T84 PolarHBondContact O-N 3.25Å; E80-T84 PolarHBondContact O-OG1 3.37Å; M81-T84 PolarHBondContact O-N 3.11Å; I82-T84 VanDerWaalsContact C-N 3.34Å; I82-T84 PolarHBondContact O-N 3.25Å; T84-G87 PolarHBondContact O-N 3.33Å; T84-Q88 PolarHBondContact O-N 3.35Å
85	Y	97.8	Very high	95.9	Very high	130 Å²	130	80 Å²	80	51%	0.51	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-39.9	179.8	-170.1	-125.1	0	0	0	112.4	I63 M81 I82 K83 G87 Q88 V89	I63-Y85 HydrophobicContact CD1-CD1 3.51Å; I63-Y85 HydrophobicContact CD1-CE1 3.42Å; I63-Y85 VanDerWaalsContact CD1-CE1 3.42Å; I63-Y85 HydrophobicContact CG1-CD1 3.99Å; I63-Y85 HydrophobicContact CG1-CE1 4.05Å; I63-Y85 HydrophobicContact CG2-CD1 4.5Å; M81-Y85 PolarHBondContact O-N 2.91Å; I82-Y85 PolarHBondContact O-N 3.13Å; K83-Y85 VanDerWaalsContact C-N 3.34Å; K83-Y85 PolarHBondContact O-N 3.25Å; Y85-G87 VanDerWaalsContact C-N 3.3Å; Y85-G87 PolarHBondContact O-N 3.03Å; Y85-Q88 WeakPolarHBondContact O-CB 3.11Å; Y85-Q88 PolarHBondContact O-N 2.87Å; Y85-Q88 VanDerWaalsContact O-N 3.14Å; Y85-V89 PolarHBondContact O-N 2.76Å; Y85-V89 VanDerWaalsContact O-N 3.16Å
86	R	97.6	Very high	96.6	Very high	66 Å²	66	79.4 Å²	79.4	25%	0.249	37%	0.373	C	S	.	.	H	α-helix	trans	-56.1	-46.2	171.2	-176.5	176.7	52.7	113.4	-13.1	111.2	I63 E67 I82 K83 Q88 V89 E90	I63-R86 HydrophobicContact CG2-CB 3.72Å; I63-R86 HydrophobicContact CG2-CG 4.37Å; E67-R86 IonicContact OE1-CZ 2.69Å; E67-R86 IonicContact OE1-NE 2.76Å; E67-R86 IonicContact OE1-NH2 3.79Å; E67-R86 PolarHBondContact OE1-NH2 3.3Å; E67-R86 VanDerWaalsContact OE2-CD 3.29Å; E67-R86 WeakPolarHBondContact OE2-CD 3.34Å; E67-R86 IonicContact OE2-CZ 2.79Å; E67-R86 IonicContact OE2-NE 3.72Å; E67-R86 PolarHBondContact OE2-NE 3.4Å; E67-R86 IonicContact OE2-NH2 3.81Å; E67-R86 PolarHBondContact OE2-NH2 3.09Å; I82-R86 PolarHBondContact O-N 3.4Å; K83-R86 PolarHBondContact O-N 2.95Å; R86-Q88 VanDerWaalsContact C-N 3.25Å; R86-Q88 PolarHBondContact O-N 3.02Å; R86-V89 PolarHBondContact O-N 3.33Å; R86-V89 VanDerWaalsContact O-N 3.13Å; R86-E90 HydrophobicContact CG-CG 4.28Å; R86-E90 WeakPolarHBondContact CG-OE1 3.34Å; R86-E90 IonicContact CZ-OE1 2.96Å; R86-E90 IonicContact NE-OE1 3.83Å; R86-E90 IonicContact NH1-OE1 3.73Å; R86-E90 PolarHBondContact NH1-OE1 3.18Å; R86-E90 WeakPolarHBondContact O-CG 3.36Å; R86-E90 PolarHBondContact O-N 3.39Å
87	G	97.8	Very high	97	Very high	27 Å²	27	71.5 Å²	71.5	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-31.8	178.3	0	0	0	0	0	113.9	K83 T84 Y85 K91	K83-G87 PolarHBondContact O-N 3.05Å; T84-G87 PolarHBondContact O-N 3.33Å; Y85-G87 VanDerWaalsContact C-N 3.3Å; Y85-G87 PolarHBondContact O-N 3.03Å; G87-K91 PolarHBondContact O-N 3.12Å
88	Q	98.3	Very high	97.3	Very high	101 Å²	101	66 Å²	66	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-48	172.6	-68.1	175.2	-0.1	0	0	111.3	T84 Y85 R86 E90 K91 E92	T84-Q88 PolarHBondContact O-N 3.35Å; Y85-Q88 WeakPolarHBondContact O-CB 3.11Å; Y85-Q88 PolarHBondContact O-N 2.87Å; Y85-Q88 VanDerWaalsContact O-N 3.14Å; R86-Q88 VanDerWaalsContact C-N 3.25Å; R86-Q88 PolarHBondContact O-N 3.02Å; Q88-E90 PolarHBondContact O-N 3.23Å; Q88-K91 WeakPolarHBondContact O-CB 3.15Å; Q88-K91 PolarHBondContact O-N 3.21Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; Q88-E92 PolarHBondContact O-N 2.85Å
89	V	98.2	Very high	97.6	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.024	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-40.1	177.6	-179.3	0	0	0	0	111.6	W60 I63 Y85 R86 K91 E92 L93	W60-V89 HydrophobicContact CB-CG1 3.8Å; I63-V89 HydrophobicContact CD1-CB 4.34Å; I63-V89 HydrophobicContact CD1-CG2 3.55Å; Y85-V89 PolarHBondContact O-N 2.76Å; Y85-V89 VanDerWaalsContact O-N 3.16Å; R86-V89 PolarHBondContact O-N 3.33Å; R86-V89 VanDerWaalsContact O-N 3.13Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 2.85Å; V89-E92 PolarHBondContact O-N 3.32Å; V89-L93 HydrophobicContact CG1-CD1 4.44Å; V89-L93 WeakPolarHBondContact O-CG 3.06Å; V89-L93 PolarHBondContact O-N 3.26Å
90	E	98.3	Very high	97.8	Very high	20 Å²	20	60.9 Å²	60.9	9%	0.093	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-35.5	173.5	-72.2	175.8	-173.1	0	0	112.1	W60 R86 Q88 R94 F135	W60-E90 PolarHBondContact NE1-OE1 3.24Å; R86-E90 HydrophobicContact CG-CG 4.28Å; R86-E90 WeakPolarHBondContact CG-OE1 3.34Å; R86-E90 IonicContact CZ-OE1 2.96Å; R86-E90 IonicContact NE-OE1 3.83Å; R86-E90 IonicContact NH1-OE1 3.73Å; R86-E90 PolarHBondContact NH1-OE1 3.18Å; R86-E90 WeakPolarHBondContact O-CG 3.36Å; R86-E90 PolarHBondContact O-N 3.39Å; Q88-E90 PolarHBondContact O-N 3.23Å; E90-R94 WeakPolarHBondContact O-CG 3.48Å; E90-R94 PolarHBondContact O-N 3.22Å; E90-R94 IonicContact OE2-NH1 2.75Å; E90-F135 HydrophobicContact CB-CD2 3.95Å; E90-F135 HydrophobicContact CB-CE2 4.25Å; E90-F135 HydrophobicContact CG-CB 4.13Å; E90-F135 HydrophobicContact CG-CD2 3.85Å; E90-F135 HydrophobicContact CG-CG 4.12Å
91	K	98.4	Very high	98	Very high	114 Å²	114	56 Å²	56	50%	0.496	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-45.6	174	-176.4	-172.7	172.2	-64.5	0	110.8	G87 Q88 V89 L93 R94 D95	G87-K91 PolarHBondContact O-N 3.12Å; Q88-K91 WeakPolarHBondContact O-CB 3.15Å; Q88-K91 PolarHBondContact O-N 3.21Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 2.85Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.46Å; K91-R94 PolarHBondContact O-N 3.48Å; K91-D95 IonicContact NZ-OD2 3.62Å; K91-D95 PolarHBondContact NZ-OD2 3.24Å; K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.47Å
92	E	98.4	Very high	98.1	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.1	-67.3	171.5	-167.9	0	0	111.7	R56 Q88 V89 R94 D95 I96	R56-E92 HydrophobicContact CG-CB 4.31Å; Q88-E92 PolarHBondContact O-N 2.85Å; V89-E92 PolarHBondContact O-N 3.32Å; E92-R94 PolarHBondContact O-N 2.87Å; E92-D95 PolarHBondContact O-N 2.88Å; E92-I96 WeakPolarHBondContact O-CD1 3.03Å; E92-I96 VanDerWaalsContact O-CG1 3.26Å; E92-I96 WeakPolarHBondContact O-CG1 3.41Å; E92-I96 PolarHBondContact O-N 3.05Å
93	L	98.2	Very high	98.2	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-46.3	173.8	-77.2	171.6	0	0	0	112	I53 R56 R57 W60 V89 K91 D95 I96 C97 F135	I53-L93 HydrophobicContact CD1-CD2 3.53Å; I53-L93 HydrophobicContact CG1-CD2 4.15Å; R56-L93 HydrophobicContact CB-CD2 3.56Å; R56-L93 HydrophobicContact CB-CG 4.02Å; R57-L93 HydrophobicContact CG-CD2 3.75Å; W60-L93 HydrophobicContact CB-CD1 3.77Å; W60-L93 HydrophobicContact CG-CD1 3.93Å; V89-L93 HydrophobicContact CG1-CD1 4.44Å; V89-L93 WeakPolarHBondContact O-CG 3.06Å; V89-L93 PolarHBondContact O-N 3.26Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-L93 PolarHBondContact O-N 3.46Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.13Å; L93-I96 PolarHBondContact O-N 3.18Å; L93-C97 WeakPolarHBondContact O-CB 3.49Å; L93-C97 PolarHBondContact O-N 3.45Å; L93-C97 PolarHBondContact O-SG 3.26Å; L93-F135 HydrophobicContact CB-CD1 4.48Å; L93-F135 HydrophobicContact CB-CE1 3.7Å; L93-F135 HydrophobicContact CB-CZ 3.85Å; L93-F135 HydrophobicContact CD1-CD1 3.99Å; L93-F135 HydrophobicContact CD1-CE1 4.01Å; L93-F135 HydrophobicContact CG-CE1 4.44Å
94	R	98.5	Very high	98.3	Very high	93 Å²	93	48.1 Å²	48.1	35%	0.351	24%	0.238	S	C	.	.	H	α-helix	trans	-59.8	-43.4	175.4	-77.9	-176.9	-73.8	-98.1	-7	112	E90 K91 E92 C97 S98 L132 F135	E90-R94 WeakPolarHBondContact O-CG 3.48Å; E90-R94 PolarHBondContact O-N 3.22Å; E90-R94 IonicContact OE2-NH1 2.75Å; K91-R94 PolarHBondContact O-N 3.48Å; E92-R94 PolarHBondContact O-N 2.87Å; R94-C97 PolarHBondContact O-N 3.24Å; R94-S98 VanDerWaalsContact O-CB 3.23Å; R94-S98 WeakPolarHBondContact O-CB 2.77Å; R94-S98 PolarHBondContact O-N 3.31Å; R94-S98 PolarHBondContact O-OG 3.06Å; R94-L132 HydrophobicContact CB-CD2 4.5Å; R94-L132 HydrophobicContact CG-CD2 4Å; R94-F135 HydrophobicContact CG-CE2 3.47Å; R94-F135 VanDerWaalsContact CG-CE2 3.47Å; R94-F135 HydrophobicContact CG-CZ 3.57Å
95	D	98.5	Very high	98.3	Very high	81 Å²	81	49 Å²	49	43%	0.433	24%	0.237	S	C	.	.	H	α-helix	trans	-64.6	-44.2	-178.9	-68.8	-19.1	0	0	0	110.3	K91 E92 L93 D99	K91-D95 IonicContact NZ-OD2 3.62Å; K91-D95 PolarHBondContact NZ-OD2 3.24Å; K91-D95 VanDerWaalsContact O-CG 3.22Å; K91-D95 PolarHBondContact O-N 3.47Å; E92-D95 PolarHBondContact O-N 2.88Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.13Å; D95-D99 WeakPolarHBondContact O-CB 3.06Å; D95-D99 PolarHBondContact O-N 2.89Å
96	I	98.3	Very high	98.3	Very high	20 Å²	20	49 Å²	49	10%	0.103	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-48.5	176.5	-63.1	157	0	0	0	111.1	Y49 V52 I53 R56 E92 L93 S98 D99 I100 Y128	Y49-I96 HydrophobicContact CD1-CG2 4.25Å; V52-I96 HydrophobicContact CG1-CD1 3.63Å; V52-I96 HydrophobicContact CG1-CG1 3.85Å; V52-I96 HydrophobicContact CG1-CG2 4.06Å; I53-I96 HydrophobicContact CB-CG2 4.1Å; I53-I96 HydrophobicContact CD1-CB 3.78Å; I53-I96 HydrophobicContact CD1-CD1 4.26Å; I53-I96 HydrophobicContact CD1-CG2 3.54Å; I53-I96 HydrophobicContact CG1-CG2 4.38Å; R56-I96 HydrophobicContact CB-CD1 4.23Å; R56-I96 HydrophobicContact CG-CD1 3.8Å; E92-I96 WeakPolarHBondContact O-CD1 3.03Å; E92-I96 VanDerWaalsContact O-CG1 3.26Å; E92-I96 WeakPolarHBondContact O-CG1 3.41Å; E92-I96 PolarHBondContact O-N 3.05Å; L93-I96 PolarHBondContact O-N 3.18Å; I96-S98 PolarHBondContact O-N 3.25Å; I96-D99 WeakPolarHBondContact O-CB 3.29Å; I96-D99 PolarHBondContact O-N 3.38Å; I96-I100 PolarHBondContact O-N 3.2Å; I96-Y128 HydrophobicContact CG2-CE1 4.46Å
97	C	98.4	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-46.1	179.5	-65.7	0	0	0	0	111.2	L93 R94 D99 I100 L101 Y128 L132	L93-C97 WeakPolarHBondContact O-CB 3.49Å; L93-C97 PolarHBondContact O-N 3.45Å; L93-C97 PolarHBondContact O-SG 3.26Å; R94-C97 PolarHBondContact O-N 3.24Å; C97-D99 PolarHBondContact O-N 2.91Å; C97-I100 VanDerWaalsContact O-CG2 3.32Å; C97-I100 WeakPolarHBondContact O-CG2 3.49Å; C97-I100 PolarHBondContact O-N 3.15Å; C97-L101 VanDerWaalsContact O-CB 3.26Å; C97-L101 WeakPolarHBondContact O-CB 3.49Å; C97-L101 WeakPolarHBondContact O-CD1 3.47Å; C97-L101 WeakPolarHBondContact O-CG 3.42Å; C97-L101 PolarHBondContact O-N 3.46Å; C97-Y128 HydrophobicContact CB-CD1 4.24Å; C97-L132 HydrophobicContact CB-CD1 4.07Å; C97-L132 HydrophobicContact CB-CD2 3.6Å; C97-L132 HydrophobicContact CB-CG 3.7Å
98	S	98.4	Very high	98.4	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	22%	0.224	S	C	.	.	H	α-helix	trans	-60.9	-37.5	178.2	-59.9	0	0	0	0	111.3	R94 I96 N102	R94-S98 VanDerWaalsContact O-CB 3.23Å; R94-S98 WeakPolarHBondContact O-CB 2.77Å; R94-S98 PolarHBondContact O-N 3.31Å; R94-S98 PolarHBondContact O-OG 3.06Å; I96-S98 PolarHBondContact O-N 3.25Å; S98-N102 WeakPolarHBondContact O-CB 3.45Å; S98-N102 PolarHBondContact O-N 3.29Å; S98-N102 PolarHBondContact O-ND2 3.37Å
99	D	98.5	Very high	98.4	Very high	46 Å²	46	43.3 Å²	43.3	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-53.8	-179.8	-169	43.1	0	0	0	112.4	K28 Y49 D95 I96 C97 L101 N102 V103	K28-D99 WeakPolarHBondContact CD-OD2 3.5Å; K28-D99 VanDerWaalsContact CE-OD1 3.31Å; K28-D99 WeakPolarHBondContact CE-OD1 3.31Å; K28-D99 WeakPolarHBondContact CE-OD2 3.38Å; K28-D99 IonicContact NZ-OD1 3.68Å; K28-D99 PolarHBondContact NZ-OD1 3.24Å; K28-D99 IonicContact NZ-OD2 2.65Å; K28-D99 PolarHBondContact NZ-OD2 3.4Å; Y49-D99 HydrophobicContact CE1-CB 4.46Å; Y49-D99 PolarHBondContact OH-OD2 3.08Å; D95-D99 WeakPolarHBondContact O-CB 3.06Å; D95-D99 PolarHBondContact O-N 2.89Å; I96-D99 WeakPolarHBondContact O-CB 3.29Å; I96-D99 PolarHBondContact O-N 3.38Å; C97-D99 PolarHBondContact O-N 2.91Å; D99-L101 PolarHBondContact O-N 2.88Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 3.18Å; D99-V103 WeakPolarHBondContact O-CG2 3.46Å; D99-V103 PolarHBondContact O-N 2.97Å; D99-V103 VanDerWaalsContact O-N 3.1Å
100	I	98.4	Very high	98.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-38.5	178.4	-177.8	56.7	0	0	0	112.4	Y49 I96 C97 N102 V103 L104 M124 Y128	Y49-I100 HydrophobicContact CD1-CB 3.79Å; Y49-I100 HydrophobicContact CD1-CG1 4.39Å; Y49-I100 HydrophobicContact CD1-CG2 4.41Å; Y49-I100 HydrophobicContact CD2-CB 4.47Å; Y49-I100 HydrophobicContact CD2-CD1 3.75Å; Y49-I100 HydrophobicContact CD2-CG1 4.35Å; Y49-I100 HydrophobicContact CE1-CB 3.65Å; Y49-I100 HydrophobicContact CE1-CG2 4.49Å; Y49-I100 HydrophobicContact CE2-CB 4.34Å; Y49-I100 HydrophobicContact CE2-CD1 3.72Å; Y49-I100 HydrophobicContact CE2-CG1 4.46Å; Y49-I100 HydrophobicContact CG-CB 4.19Å; Y49-I100 HydrophobicContact CG-CD1 4.18Å; Y49-I100 HydrophobicContact CG-CG1 4.28Å; I96-I100 PolarHBondContact O-N 3.2Å; C97-I100 VanDerWaalsContact O-CG2 3.32Å; C97-I100 WeakPolarHBondContact O-CG2 3.49Å; C97-I100 PolarHBondContact O-N 3.15Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 3.32Å; I100-V103 HydrophobicContact CD1-CB 4.46Å; I100-V103 PolarHBondContact O-N 3.43Å; I100-V103 VanDerWaalsContact O-N 3.11Å; I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.02Å; I100-L104 HydrophobicContact CG1-CD1 3.88Å; I100-L104 HydrophobicContact CG1-CG 4.13Å; I100-L104 WeakPolarHBondContact O-CB 3.16Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.37Å; I100-L104 PolarHBondContact O-N 3.48Å; I100-M124 HydrophobicContact CD1-CE 3.87Å; I100-M124 HydrophobicContact CD1-SD 4.1Å; I100-M124 HydrophobicContact CG1-CE 3.89Å; I100-M124 HydrophobicContact CG1-SD 4.24Å; I100-Y128 HydrophobicContact CG1-CD2 4.22Å; I100-Y128 HydrophobicContact CG1-CE2 4.14Å; I100-Y128 HydrophobicContact CG2-CD1 3.33Å; I100-Y128 HydrophobicContact CG2-CD2 3.68Å; I100-Y128 HydrophobicContact CG2-CE1 3.58Å; I100-Y128 HydrophobicContact CG2-CE2 3.95Å; I100-Y128 HydrophobicContact CG2-CG 3.38Å
101	L	98.7	Very high	98.3	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-41.3	176.5	-71.7	170.7	0	0	0	110.9	C97 D99 L104 E105 K125 L132	C97-L101 VanDerWaalsContact O-CB 3.26Å; C97-L101 WeakPolarHBondContact O-CB 3.49Å; C97-L101 WeakPolarHBondContact O-CD1 3.47Å; C97-L101 WeakPolarHBondContact O-CG 3.42Å; C97-L101 PolarHBondContact O-N 3.46Å; D99-L101 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 3.39Å; L101-E105 WeakPolarHBondContact O-CB 3.37Å; L101-E105 VanDerWaalsContact O-CG 3.31Å; L101-E105 WeakPolarHBondContact O-CG 3.39Å; L101-E105 PolarHBondContact O-N 3.31Å; L101-K125 HydrophobicContact CD2-CB 4.42Å; L101-K125 HydrophobicContact CD2-CG 3.85Å; L101-L132 HydrophobicContact CD1-CD1 3.82Å
102	N	98.6	Very high	98.3	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-42.4	173.6	-85.7	-65.6	0	0	0	112.6	S98 D99 I100 K106	S98-N102 WeakPolarHBondContact O-CB 3.45Å; S98-N102 PolarHBondContact O-N 3.29Å; S98-N102 PolarHBondContact O-ND2 3.37Å; D99-N102 WeakPolarHBondContact O-CB 3.49Å; D99-N102 PolarHBondContact O-N 3.18Å; I100-N102 VanDerWaalsContact C-N 3.28Å; I100-N102 PolarHBondContact O-N 3.32Å; N102-K106 VanDerWaalsContact O-CB 3.25Å; N102-K106 WeakPolarHBondContact O-CB 3.39Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 3.43Å; N102-K106 PolarHBondContact O-N 3.16Å; N102-K106 PolarHBondContact OD1-NZ 3.06Å
103	V	98.5	Very high	98.2	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-43.1	178.4	174.8	0	0	0	0	110.9	K28 A31 D99 I100 H107 L108	K28-V103 HydrophobicContact CG-CG2 4.12Å; A31-V103 HydrophobicContact CB-CG1 3.66Å; D99-V103 WeakPolarHBondContact O-CG2 3.46Å; D99-V103 PolarHBondContact O-N 2.97Å; D99-V103 VanDerWaalsContact O-N 3.1Å; I100-V103 HydrophobicContact CD1-CB 4.46Å; I100-V103 PolarHBondContact O-N 3.43Å; I100-V103 VanDerWaalsContact O-N 3.11Å; V103-H107 WeakPolarHBondContact O-CB 3.43Å; V103-H107 PolarHBondContact O-N 2.67Å; V103-L108 HydrophobicContact CG1-CD1 3.79Å; V103-L108 HydrophobicContact CG1-CG 4.11Å; V103-L108 PolarHBondContact O-N 3.07Å
104	L	98.6	Very high	98.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-60.3	-50.2	177.2	-73.3	167.3	0	0	0	111.3	I100 L101 L108 I109 Y121 M124 K125	I100-L104 HydrophobicContact CD1-CD1 4.31Å; I100-L104 HydrophobicContact CD1-CG 4.02Å; I100-L104 HydrophobicContact CG1-CD1 3.88Å; I100-L104 HydrophobicContact CG1-CG 4.13Å; I100-L104 WeakPolarHBondContact O-CB 3.16Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.37Å; I100-L104 PolarHBondContact O-N 3.48Å; L101-L104 PolarHBondContact O-N 3.39Å; L104-L108 HydrophobicContact CD2-CB 4.38Å; L104-L108 HydrophobicContact CD2-CD1 3.9Å; L104-L108 PolarHBondContact O-N 3.31Å; L104-I109 HydrophobicContact CB-CD1 4.25Å; L104-I109 WeakPolarHBondContact O-CB 3.5Å; L104-I109 WeakPolarHBondContact O-CG1 3.1Å; L104-I109 PolarHBondContact O-N 3.04Å; L104-Y121 HydrophobicContact CD2-CD1 3.74Å; L104-Y121 HydrophobicContact CD2-CG 4.08Å; L104-M124 HydrophobicContact CD1-CB 4.23Å; L104-M124 HydrophobicContact CD1-CG 4.14Å; L104-M124 HydrophobicContact CD1-SD 4.44Å; L104-M124 HydrophobicContact CD2-CB 4.44Å; L104-M124 HydrophobicContact CD2-SD 4.15Å; L104-K125 HydrophobicContact CD1-CB 4.1Å
105	E	98.3	Very high	98	Very high	91 Å²	91	41.5 Å²	41.5	43%	0.425	23%	0.233	S	C	.	.	I	π-helix	trans	-71.5	-39.1	-175.5	-70.9	-177	164.1	0	0	113.5	L101 P110 K125	L101-E105 WeakPolarHBondContact O-CB 3.37Å; L101-E105 VanDerWaalsContact O-CG 3.31Å; L101-E105 WeakPolarHBondContact O-CG 3.39Å; L101-E105 PolarHBondContact O-N 3.31Å; E105-P110 WeakPolarHBondContact O-CD 3.34Å; E105-P110 WeakPolarHBondContact O-CG 3.32Å; E105-K125 WeakPolarHBondContact OE1-CE 3.25Å; E105-K125 IonicContact OE1-NZ 3.37Å; E105-K125 PolarHBondContact OE1-NZ 2.83Å
106	K	98.1	Very high	97.9	Very high	130 Å²	130	40.2 Å²	40.2	57%	0.565	23%	0.225	S	C	*	.	I	π-helix	trans	-84	-33.7	-174.1	-67.6	177	-177	169.4	0	113.4	N102	N102-K106 VanDerWaalsContact O-CB 3.25Å; N102-K106 WeakPolarHBondContact O-CB 3.39Å; N102-K106 VanDerWaalsContact O-CG 3.3Å; N102-K106 WeakPolarHBondContact O-CG 3.43Å; N102-K106 PolarHBondContact O-N 3.16Å; N102-K106 PolarHBondContact OD1-NZ 3.06Å
107	H	98.4	Very high	97.9	Very high	38 Å²	38	39.7 Å²	39.7	18%	0.176	22%	0.223	C	C	.	.	I	π-helix	trans	-123.8	-50.4	-166.7	-57.2	-61.1	0	0	0	112.8	A31 S32 D34 V103 C111	A31-H107 WeakPolarHBondContact O-CB 3.45Å; S32-H107 PolarHBondContact OG-CD2 3.06Å; S32-H107 PolarHBondContact OG-NE2 2.69Å; S32-H107 VanDerWaalsContact OG-NE2 3.15Å; D34-H107 IonicContact OD1-CE1 3.56Å; D34-H107 IonicContact OD1-CG 3.57Å; D34-H107 IonicContact OD1-ND1 2.69Å; D34-H107 PolarHBondContact OD1-ND1 3.1Å; D34-H107 IonicContact OD2-ND1 2.7Å; V103-H107 WeakPolarHBondContact O-CB 3.43Å; V103-H107 PolarHBondContact O-N 2.67Å; H107-C111 VanDerWaalsContact O-CB 3.29Å; H107-C111 WeakPolarHBondContact O-CB 3.25Å; H107-C111 PolarHBondContact O-N 2.93Å; H107-C111 PolarHBondContact O-SG 3.48Å
108	L	98.5	Very high	97.9	Very high	7 Å²	7	43 Å²	43	4%	0.037	24%	0.237	C	C	.	.	I	π-helix	trans	-82.7	-48.7	-166.5	-59.1	173.2	0	0	0	113.8	A31 L37 L45 V103 L104 C111 A112 Y121	A31-L108 HydrophobicContact CB-CD2 3.75Å; A31-L108 HydrophobicContact CB-CG 4.27Å; L37-L108 HydrophobicContact CD1-CD2 3.6Å; L37-L108 HydrophobicContact CG-CD2 3.81Å; L45-L108 HydrophobicContact CD2-CD1 3.32Å; V103-L108 HydrophobicContact CG1-CD1 3.79Å; V103-L108 HydrophobicContact CG1-CG 4.11Å; V103-L108 PolarHBondContact O-N 3.07Å; L104-L108 HydrophobicContact CD2-CB 4.38Å; L104-L108 HydrophobicContact CD2-CD1 3.9Å; L104-L108 PolarHBondContact O-N 3.31Å; L108-C111 PolarHBondContact O-N 3.33Å; L108-A112 WeakPolarHBondContact O-CB 3.42Å; L108-A112 PolarHBondContact O-N 3.21Å; L108-Y121 HydrophobicContact CB-CD1 4.05Å; L108-Y121 HydrophobicContact CB-CD2 4.02Å; L108-Y121 HydrophobicContact CB-CE1 3.99Å; L108-Y121 HydrophobicContact CB-CE2 3.96Å; L108-Y121 HydrophobicContact CB-CG 4.09Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 3.96Å; L108-Y121 HydrophobicContact CD2-CE1 4.44Å; L108-Y121 HydrophobicContact CG-CE1 4.36Å
109	I	98.4	Very high	97.9	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.4	-67.1	171.1	0	0	0	110.9	L104 C111 A112 Y122 K125	L104-I109 HydrophobicContact CB-CD1 4.25Å; L104-I109 WeakPolarHBondContact O-CB 3.5Å; L104-I109 WeakPolarHBondContact O-CG1 3.1Å; L104-I109 PolarHBondContact O-N 3.04Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 3.45Å; I109-A112 PolarHBondContact O-N 3.28Å; I109-Y122 HydrophobicContact CD1-CD1 4.39Å; I109-Y122 HydrophobicContact CD1-CE1 4.25Å; I109-Y122 HydrophobicContact CG2-CE2 4.13Å; I109-K125 HydrophobicContact CD1-CD 4.15Å
110	P	98.1	Very high	97.8	Very high	87 Å²	87	39.2 Å²	39.2	57%	0.565	21%	0.212	S	C	*	.	H	α-helix	trans	-62.5	-31.8	176.9	-25.5	36.5	0	0	0	114.4	E105	E105-P110 WeakPolarHBondContact O-CD 3.34Å; E105-P110 WeakPolarHBondContact O-CG 3.32Å
111	C	97.2	Very high	97.8	Very high	31 Å²	31	39.3 Å²	39.3	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-90.4	-7.3	-178.5	-66	0	0	0	0	113.9	D34 H107 L108 I109 T113	D34-C111 PolarHBondContact O-SG 2.94Å; H107-C111 VanDerWaalsContact O-CB 3.29Å; H107-C111 WeakPolarHBondContact O-CB 3.25Å; H107-C111 PolarHBondContact O-N 2.93Å; H107-C111 PolarHBondContact O-SG 3.48Å; L108-C111 PolarHBondContact O-N 3.33Å; I109-C111 VanDerWaalsContact C-N 3.29Å; I109-C111 PolarHBondContact O-N 3.45Å; C111-T113 PolarHBondContact O-N 2.98Å
112	A	97.2	Very high	97.8	Very high	8 Å²	8	41.9 Å²	41.9	7%	0.066	22%	0.221	C	C	.	.			trans	-73.2	115.9	-178.9	0	0	0	0	0	111.3	L108 I109 K118 Y121	L108-A112 WeakPolarHBondContact O-CB 3.42Å; L108-A112 PolarHBondContact O-N 3.21Å; I109-A112 PolarHBondContact O-N 3.28Å; A112-K118 HydrophobicContact CB-CG 3.76Å; A112-K118 WeakPolarHBondContact O-CE 3.32Å; A112-Y121 HydrophobicContact CB-CD2 3.79Å; A112-Y121 HydrophobicContact CB-CE2 3.88Å
113	T	96.3	Very high	97.8	Very high	102 Å²	102	39.7 Å²	39.7	63%	0.626	21%	0.208	S	C	*	.			trans	-98.5	-39.8	-179.8	69.8	0	0	0	0	111.9	E36 C111 K118	E36-T113 PolarHBondContact OE1-N 3.04Å; E36-T113 PolarHBondContact OE1-OG1 3.44Å; E36-T113 WeakPolarHBondContact OE2-CB 3.28Å; E36-T113 WeakPolarHBondContact OE2-CG2 3.27Å; E36-T113 PolarHBondContact OE2-OG1 2.81Å; C111-T113 PolarHBondContact O-N 2.98Å; T113-K118 PolarHBondContact O-NZ 3.45Å
114	S	96.1	Very high	97.8	Very high	46 Å²	46	39.8 Å²	39.8	32%	0.322	21%	0.209	S	C	.	.	S	Bend	trans	-78.1	152.4	-179.3	77.6	0	0	0	0	113	E116 S117 K118	S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.27Å; S114-S117 PolarHBondContact O-N 3.28Å; S114-S117 VanDerWaalsContact OG-CB 3.3Å; S114-S117 WeakPolarHBondContact OG-CB 3.43Å; S114-S117 PolarHBondContact OG-N 2.67Å; S114-S117 PolarHBondContact OG-OG 2.9Å; S114-K118 WeakPolarHBondContact O-CG 3.3Å; S114-K118 PolarHBondContact O-N 3.14Å; S114-K118 VanDerWaalsContact O-N 3.13Å
115	G	96.6	Very high	97.8	Very high	11 Å²	11	41.4 Å²	41.4	11%	0.113	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-42.8	171.5	0	0	0	0	0	111.7	K118 V119 D162	G115-K118 PolarHBondContact O-N 3.4Å; G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.17Å; G115-V119 PolarHBondContact O-N 2.73Å; G115-D162 WeakPolarHBondContact CA-OD2 3.14Å
116	E	96.5	Very high	97.8	Very high	55 Å²	55	37 Å²	37	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-52.4	177	-167.3	-173.1	119.2	0	0	112.7	R42 S114 K118 V119 F120 L163 H167 I169	R42-E116 IonicContact CZ-OE1 3.46Å; R42-E116 IonicContact NH1-OE1 3.75Å; R42-E116 PolarHBondContact NH1-OE1 2.97Å; R42-E116 IonicContact NH2-OE1 3.53Å; S114-E116 VanDerWaalsContact C-N 3.28Å; S114-E116 PolarHBondContact O-N 3.27Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 2.95Å; E116-V119 PolarHBondContact O-N 2.89Å; E116-F120 WeakPolarHBondContact O-CB 3.45Å; E116-F120 PolarHBondContact O-N 3.32Å; E116-L163 HydrophobicContact CB-CD2 4.16Å; E116-L163 HydrophobicContact CG-CD2 4.49Å; E116-H167 IonicContact OE2-NE2 2.86Å; E116-I169 HydrophobicContact CG-CD1 3.45Å; E116-I169 VanDerWaalsContact CG-CD1 3.45Å
117	S	97.4	Very high	97.8	Very high	8 Å²	8	31 Å²	31	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-44.2	177.2	-66.4	0	0	0	0	111.3	E36 S114 F120 Y121	E36-S117 PolarHBondContact OE1-OG 3.11Å; E36-S117 VanDerWaalsContact OE1-OG 3.08Å; S114-S117 PolarHBondContact O-N 3.28Å; S114-S117 VanDerWaalsContact OG-CB 3.3Å; S114-S117 WeakPolarHBondContact OG-CB 3.43Å; S114-S117 PolarHBondContact OG-N 2.67Å; S114-S117 PolarHBondContact OG-OG 2.9Å; S117-F120 PolarHBondContact O-N 3.37Å; S117-Y121 WeakPolarHBondContact O-CD2 3.43Å; S117-Y121 PolarHBondContact O-N 2.84Å
118	K	98.4	Very high	97.8	Very high	70 Å²	70	29.2 Å²	29.2	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-64.3	-49.5	-179.9	-70.6	170.7	-174	166.6	0	111.6	A112 T113 S114 G115 E116 F120 Y121 Y122 I158	A112-K118 HydrophobicContact CB-CG 3.76Å; A112-K118 WeakPolarHBondContact O-CE 3.32Å; T113-K118 PolarHBondContact O-NZ 3.45Å; S114-K118 WeakPolarHBondContact O-CG 3.3Å; S114-K118 PolarHBondContact O-N 3.14Å; S114-K118 VanDerWaalsContact O-N 3.13Å; G115-K118 PolarHBondContact O-N 3.4Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 2.95Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 2.93Å; K118-Y121 PolarHBondContact O-N 2.91Å; K118-Y122 HydrophobicContact CB-CD2 4.45Å; K118-Y122 WeakPolarHBondContact O-CB 3.32Å; K118-Y122 VanDerWaalsContact O-CD2 3.25Å; K118-Y122 WeakPolarHBondContact O-CD2 3.41Å; K118-Y122 PolarHBondContact O-N 2.89Å; K118-I158 HydrophobicContact CB-CD1 3.91Å; K118-I158 HydrophobicContact CB-CG2 4.4Å; K118-I158 HydrophobicContact CD-CD1 4.36Å
119	V	98.5	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-43.9	178.6	178.5	0	0	0	0	109.9	G115 E116 Y121 K123 A155 I158 A159 L163 I169 L173	G115-V119 VanDerWaalsContact O-CG2 3.26Å; G115-V119 WeakPolarHBondContact O-CG2 3.17Å; G115-V119 PolarHBondContact O-N 2.73Å; E116-V119 PolarHBondContact O-N 2.89Å; V119-Y121 PolarHBondContact O-N 3.06Å; V119-K123 WeakPolarHBondContact O-CB 3.27Å; V119-K123 PolarHBondContact O-N 3.44Å; V119-A155 HydrophobicContact CG1-CB 4.41Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.6Å; V119-A159 HydrophobicContact CG1-CB 3.88Å; V119-A159 HydrophobicContact CG2-CB 3.8Å; V119-L163 HydrophobicContact CB-CD1 4Å; V119-L163 HydrophobicContact CG1-CD1 4.03Å; V119-L163 HydrophobicContact CG2-CD1 3.89Å; V119-L163 HydrophobicContact CG2-CG 4.5Å; V119-I169 HydrophobicContact CB-CG2 4.06Å; V119-I169 HydrophobicContact CG1-CG2 3.57Å; V119-L173 HydrophobicContact CG1-CD2 4.04Å
120	F	97.9	Very high	97.8	Very high	20 Å²	20	28.3 Å²	28.3	9%	0.088	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-51.7	177.5	-169.8	-83.4	0	0	0	112.2	R42 E116 S117 K118 K123 M124 I169	R42-F120 HydrophobicContact CG-CD1 3.61Å; R42-F120 HydrophobicContact CG-CD2 4.47Å; R42-F120 HydrophobicContact CG-CE1 3.42Å; R42-F120 VanDerWaalsContact CG-CE1 3.42Å; R42-F120 HydrophobicContact CG-CE2 4.31Å; R42-F120 HydrophobicContact CG-CG 4.15Å; R42-F120 HydrophobicContact CG-CZ 3.79Å; E116-F120 WeakPolarHBondContact O-CB 3.45Å; E116-F120 PolarHBondContact O-N 3.32Å; S117-F120 PolarHBondContact O-N 3.37Å; K118-F120 VanDerWaalsContact C-N 3.27Å; K118-F120 PolarHBondContact O-N 2.93Å; F120-K123 PolarHBondContact O-N 3.11Å; F120-M124 HydrophobicContact CE1-SD 4.42Å; F120-M124 WeakPolarHBondContact O-CB 3.37Å; F120-M124 PolarHBondContact O-N 3.44Å; F120-I169 HydrophobicContact CB-CD1 4.38Å; F120-I169 HydrophobicContact CD2-CD1 3.8Å; F120-I169 HydrophobicContact CD2-CG1 4.17Å
121	Y	98.5	Very high	97.8	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-71.2	-37.2	-177.3	-61.3	-42	0	0	0	113.4	R42 L104 L108 A112 S117 K118 V119 M124 K125	R42-Y121 HydrophobicContact CG-CE1 3.97Å; L104-Y121 HydrophobicContact CD2-CD1 3.74Å; L104-Y121 HydrophobicContact CD2-CG 4.08Å; L108-Y121 HydrophobicContact CB-CD1 4.05Å; L108-Y121 HydrophobicContact CB-CD2 4.02Å; L108-Y121 HydrophobicContact CB-CE1 3.99Å; L108-Y121 HydrophobicContact CB-CE2 3.96Å; L108-Y121 HydrophobicContact CB-CG 4.09Å; L108-Y121 HydrophobicContact CD1-CD1 4.21Å; L108-Y121 HydrophobicContact CD1-CE1 3.96Å; L108-Y121 HydrophobicContact CD2-CE1 4.44Å; L108-Y121 HydrophobicContact CG-CE1 4.36Å; A112-Y121 HydrophobicContact CB-CD2 3.79Å; A112-Y121 HydrophobicContact CB-CE2 3.88Å; S117-Y121 WeakPolarHBondContact O-CD2 3.43Å; S117-Y121 PolarHBondContact O-N 2.84Å; K118-Y121 PolarHBondContact O-N 2.91Å; V119-Y121 PolarHBondContact O-N 3.06Å; Y121-M124 PolarHBondContact O-N 3.35Å; Y121-K125 WeakPolarHBondContact O-CB 3.49Å; Y121-K125 PolarHBondContact O-N 2.85Å
122	Y	98.7	Very high	97.9	Very high	67 Å²	67	24 Å²	24	26%	0.263	13%	0.125	S	C	.	.	H	α-helix	trans	-69.7	-37.8	174.9	-81.7	-69.6	0	0	0	112.2	I109 K118 K125 G126 A154 I158	I109-Y122 HydrophobicContact CD1-CD1 4.39Å; I109-Y122 HydrophobicContact CD1-CE1 4.25Å; I109-Y122 HydrophobicContact CG2-CE2 4.13Å; K118-Y122 HydrophobicContact CB-CD2 4.45Å; K118-Y122 WeakPolarHBondContact O-CB 3.32Å; K118-Y122 VanDerWaalsContact O-CD2 3.25Å; K118-Y122 WeakPolarHBondContact O-CD2 3.41Å; K118-Y122 PolarHBondContact O-N 2.89Å; Y122-K125 PolarHBondContact O-N 3.31Å; Y122-G126 PolarHBondContact O-N 3.4Å; Y122-A154 HydrophobicContact CD1-CB 3.94Å; Y122-A154 HydrophobicContact CE1-CB 4.12Å; Y122-A154 HydrophobicContact CG-CB 4.22Å; Y122-I158 HydrophobicContact CD2-CD1 4.07Å; Y122-I158 HydrophobicContact CE2-CD1 4.15Å
123	K	98.3	Very high	97.9	Very high	24 Å²	24	23.6 Å²	23.6	10%	0.104	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-51.7	170.4	178.9	-169.4	173.8	-68.4	0	110.1	V119 F120 K125 G126 D127 G172 L173 N176	V119-K123 WeakPolarHBondContact O-CB 3.27Å; V119-K123 PolarHBondContact O-N 3.44Å; F120-K123 PolarHBondContact O-N 3.11Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.44Å; K123-G126 WeakPolarHBondContact O-CA 3.26Å; K123-G126 PolarHBondContact O-N 2.94Å; K123-D127 IonicContact NZ-OD2 3.43Å; K123-D127 PolarHBondContact NZ-OD2 3.47Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 3.3Å; K123-G172 WeakPolarHBondContact CE-O 3.36Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.32Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; K123-N176 PolarHBondContact NZ-ND2 2.92Å
124	M	98.1	Very high	97.9	Very high	9 Å²	9	20.5 Å²	20.5	4%	0.044	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-43.2	178.4	-164.6	177.5	-163	0	0	111.3	I100 L104 F120 Y121 G126 D127 Y128	I100-M124 HydrophobicContact CD1-CE 3.87Å; I100-M124 HydrophobicContact CD1-SD 4.1Å; I100-M124 HydrophobicContact CG1-CE 3.89Å; I100-M124 HydrophobicContact CG1-SD 4.24Å; L104-M124 HydrophobicContact CD1-CB 4.23Å; L104-M124 HydrophobicContact CD1-CG 4.14Å; L104-M124 HydrophobicContact CD1-SD 4.44Å; L104-M124 HydrophobicContact CD2-CB 4.44Å; L104-M124 HydrophobicContact CD2-SD 4.15Å; F120-M124 HydrophobicContact CE1-SD 4.42Å; F120-M124 WeakPolarHBondContact O-CB 3.37Å; F120-M124 PolarHBondContact O-N 3.44Å; Y121-M124 PolarHBondContact O-N 3.35Å; M124-G126 VanDerWaalsContact C-N 3.32Å; M124-G126 PolarHBondContact O-N 2.92Å; M124-D127 WeakPolarHBondContact O-CB 3.49Å; M124-D127 PolarHBondContact O-N 3.3Å; M124-Y128 HydrophobicContact CE-CE2 3.72Å; M124-Y128 HydrophobicContact CG-CD2 3.88Å; M124-Y128 HydrophobicContact CG-CE2 3.75Å; M124-Y128 VanDerWaalsContact O-CD2 3.3Å; M124-Y128 WeakPolarHBondContact O-CD2 3.43Å; M124-Y128 PolarHBondContact O-N 3.43Å
125	K	98.7	Very high	97.9	Very high	33 Å²	33	19 Å²	19	14%	0.143	9%	0.089	C	C	.	.	H	α-helix	trans	-58.3	-43.6	173.5	178.8	168.7	173.1	164.9	0	112	L101 L104 E105 I109 Y121 Y122 K123 H129 A151	L101-K125 HydrophobicContact CD2-CB 4.42Å; L101-K125 HydrophobicContact CD2-CG 3.85Å; L104-K125 HydrophobicContact CD1-CB 4.1Å; E105-K125 WeakPolarHBondContact OE1-CE 3.25Å; E105-K125 IonicContact OE1-NZ 3.37Å; E105-K125 PolarHBondContact OE1-NZ 2.83Å; I109-K125 HydrophobicContact CD1-CD 4.15Å; Y121-K125 WeakPolarHBondContact O-CB 3.49Å; Y121-K125 PolarHBondContact O-N 2.85Å; Y122-K125 PolarHBondContact O-N 3.31Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 3.44Å; K125-H129 PolarHBondContact O-CD2 3.03Å; K125-H129 VanDerWaalsContact O-CD2 3.22Å; K125-H129 PolarHBondContact O-N 3.21Å; K125-H129 VanDerWaalsContact O-N 3.13Å; K125-A151 HydrophobicContact CB-CB 4.08Å; K125-A151 HydrophobicContact CD-CB 4.28Å; K125-A151 HydrophobicContact CG-CB 3.83Å
126	G	98.6	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-45	174.9	0	0	0	0	0	112.6	Y122 K123 M124 H129 R130 S148 Y152	Y122-G126 PolarHBondContact O-N 3.4Å; K123-G126 WeakPolarHBondContact O-CA 3.26Å; K123-G126 PolarHBondContact O-N 2.94Å; M124-G126 VanDerWaalsContact C-N 3.32Å; M124-G126 PolarHBondContact O-N 2.92Å; G126-H129 PolarHBondContact O-N 2.52Å; G126-R130 WeakPolarHBondContact O-CB 3.38Å; G126-R130 PolarHBondContact O-N 3Å; G126-S148 PolarHBondContact O-OG 2.88Å; G126-Y152 VanDerWaalsContact C-CZ 3.45Å
127	D	98.2	Very high	97.8	Very high	3 Å²	3	22 Å²	22	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-50.7	178.3	-68	-27.7	0	0	0	111.8	K123 M124 H129 R130 Y131 Y152 N176	K123-D127 IonicContact NZ-OD2 3.43Å; K123-D127 PolarHBondContact NZ-OD2 3.47Å; K123-D127 VanDerWaalsContact O-CG 3.25Å; K123-D127 PolarHBondContact O-N 3.3Å; M124-D127 WeakPolarHBondContact O-CB 3.49Å; M124-D127 PolarHBondContact O-N 3.3Å; D127-H129 PolarHBondContact O-N 2.83Å; D127-R130 WeakPolarHBondContact O-CA 3.41Å; D127-R130 VanDerWaalsContact O-CB 3.28Å; D127-R130 WeakPolarHBondContact O-CB 3.34Å; D127-R130 PolarHBondContact O-N 3.42Å; D127-R130 VanDerWaalsContact O-N 3.08Å; D127-Y131 HydrophobicContact CB-CE2 4.05Å; D127-Y131 WeakPolarHBondContact CB-OH 3.44Å; D127-Y131 VanDerWaalsContact O-CD2 3.27Å; D127-Y131 WeakPolarHBondContact O-CD2 3.36Å; D127-Y131 WeakPolarHBondContact O-CE2 3.5Å; D127-Y131 VanDerWaalsContact O-CG 3.3Å; D127-Y131 PolarHBondContact O-N 3.03Å; D127-Y152 WeakPolarHBondContact CA-OH 3.27Å; D127-Y152 PolarHBondContact N-OH 2.6Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.26Å; D127-Y152 PolarHBondContact OD1-OH 3.45Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.27Å; D127-N176 PolarHBondContact OD1-ND2 3.11Å; D127-N176 PolarHBondContact OD2-ND2 3Å
128	Y	98.4	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.14	C	C	.	.	H	α-helix	trans	-70.4	-31.4	-179.1	-79.1	-84.4	0	0	0	113.7	Y49 I53 I96 C97 I100 M124 Y131 L132	Y49-Y128 VanDerWaalsContact C-OH 3.23Å; Y49-Y128 VanDerWaalsContact CB-OH 3.3Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.3Å; Y49-Y128 PolarHBondContact O-OH 2.86Å; I53-Y128 HydrophobicContact CB-CE1 3.89Å; I53-Y128 HydrophobicContact CD1-CE1 4.15Å; I53-Y128 HydrophobicContact CG1-CD1 4.48Å; I53-Y128 HydrophobicContact CG1-CE1 3.87Å; I53-Y128 HydrophobicContact CG2-CE1 3.93Å; I53-Y128 WeakPolarHBondContact CG2-OH 3.42Å; I96-Y128 HydrophobicContact CG2-CE1 4.46Å; C97-Y128 HydrophobicContact CB-CD1 4.24Å; I100-Y128 HydrophobicContact CG1-CD2 4.22Å; I100-Y128 HydrophobicContact CG1-CE2 4.14Å; I100-Y128 HydrophobicContact CG2-CD1 3.33Å; I100-Y128 HydrophobicContact CG2-CD2 3.68Å; I100-Y128 HydrophobicContact CG2-CE1 3.58Å; I100-Y128 HydrophobicContact CG2-CE2 3.95Å; I100-Y128 HydrophobicContact CG2-CG 3.38Å; M124-Y128 HydrophobicContact CE-CE2 3.72Å; M124-Y128 HydrophobicContact CG-CD2 3.88Å; M124-Y128 HydrophobicContact CG-CE2 3.75Å; M124-Y128 VanDerWaalsContact O-CD2 3.3Å; M124-Y128 WeakPolarHBondContact O-CD2 3.43Å; M124-Y128 PolarHBondContact O-N 3.43Å; Y128-Y131 AromaticContact CD1-CD2 3.92Å; Y128-Y131 HydrophobicContact CD1-CD2 3.92Å; Y128-Y131 HydrophobicContact CD1-CE2 4.43Å; Y128-Y131 HydrophobicContact CE1-CD2 4.23Å; Y128-Y131 HydrophobicContact CG-CD2 4.24Å; Y128-Y131 PolarHBondContact O-N 3.35Å; Y128-L132 WeakPolarHBondContact O-CG 3.43Å; Y128-L132 PolarHBondContact O-N 3.38Å; Y128-L132 VanDerWaalsContact O-N 3.15Å
129	H	98.8	Very high	97.7	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-69.3	-34.3	168.7	-80.6	-63.6	0	0	0	112.5	K125 G126 D127 Y131 L132 A133 N147	K125-H129 PolarHBondContact O-CD2 3.03Å; K125-H129 VanDerWaalsContact O-CD2 3.22Å; K125-H129 PolarHBondContact O-N 3.21Å; K125-H129 VanDerWaalsContact O-N 3.13Å; G126-H129 PolarHBondContact O-N 2.52Å; D127-H129 PolarHBondContact O-N 2.83Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-L132 PolarHBondContact O-N 3.39Å; H129-A133 PolarHBondContact O-N 3.16Å; H129-N147 HydrophobicContact CB-CB 4.38Å
130	R	98.2	Very high	97.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-44.9	172.2	173.5	175.5	71.7	98.2	-7.8	110.5	G126 D127 L132 A133 E134 Y152 F180 E183 I184 D255	G126-R130 WeakPolarHBondContact O-CB 3.38Å; G126-R130 PolarHBondContact O-N 3Å; D127-R130 WeakPolarHBondContact O-CA 3.41Å; D127-R130 VanDerWaalsContact O-CB 3.28Å; D127-R130 WeakPolarHBondContact O-CB 3.34Å; D127-R130 PolarHBondContact O-N 3.42Å; D127-R130 VanDerWaalsContact O-N 3.08Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.89Å; R130-A133 WeakPolarHBondContact O-CA 3.3Å; R130-A133 WeakPolarHBondContact O-CB 3.24Å; R130-A133 PolarHBondContact O-N 3.41Å; R130-E134 IonicContact NH1-OE1 3.21Å; R130-E134 PolarHBondContact O-N 3.21Å; R130-E134 VanDerWaalsContact O-N 3.14Å; R130-Y152 PolarHBondContact NE-OH 3.05Å; R130-F180 HydrophobicContact CB-CD2 4.28Å; R130-F180 HydrophobicContact CG-CD2 4.23Å; R130-E183 IonicContact NH1-OE2 3.89Å; R130-I184 HydrophobicContact CG-CD1 4.33Å; R130-I184 HydrophobicContact CG-CG1 3.85Å; R130-D255 IonicContact CZ-OD2 3.83Å; R130-D255 IonicContact NH1-OD2 2.73Å; R130-D255 PolarHBondContact NH1-OD2 3.44Å; R130-D255 IonicContact NH2-OD2 3.57Å; R130-D255 PolarHBondContact NH2-OD2 3.04Å
131	Y	97.5	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-41.4	176.1	-54.8	-31.6	0	0	0	112.9	I53 R57 D127 Y128 H129 A133 E134 F135 E257	I53-Y131 HydrophobicContact CG1-CD2 4.07Å; R57-Y131 VanDerWaalsContact CZ-CD1 3.4Å; R57-Y131 VanDerWaalsContact NE-CD1 3.28Å; D127-Y131 HydrophobicContact CB-CE2 4.05Å; D127-Y131 WeakPolarHBondContact CB-OH 3.44Å; D127-Y131 VanDerWaalsContact O-CD2 3.27Å; D127-Y131 WeakPolarHBondContact O-CD2 3.36Å; D127-Y131 WeakPolarHBondContact O-CE2 3.5Å; D127-Y131 VanDerWaalsContact O-CG 3.3Å; D127-Y131 PolarHBondContact O-N 3.03Å; Y128-Y131 AromaticContact CD1-CD2 3.92Å; Y128-Y131 HydrophobicContact CD1-CD2 3.92Å; Y128-Y131 HydrophobicContact CD1-CE2 4.43Å; Y128-Y131 HydrophobicContact CE1-CD2 4.23Å; Y128-Y131 HydrophobicContact CG-CD2 4.24Å; Y128-Y131 PolarHBondContact O-N 3.35Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-A133 VanDerWaalsContact C-N 3.26Å; Y131-A133 PolarHBondContact O-N 2.83Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.3Å; Y131-E134 WeakPolarHBondContact O-CB 3.46Å; Y131-E134 PolarHBondContact O-N 3.06Å; Y131-F135 WeakPolarHBondContact O-CD1 3.28Å; Y131-F135 WeakPolarHBondContact O-CE1 3.46Å; Y131-E257 VanDerWaalsContact CE2-OE1 3.24Å; Y131-E257 WeakPolarHBondContact CE2-OE1 3.31Å; Y131-E257 VanDerWaalsContact CE2-OE2 3.3Å; Y131-E257 WeakPolarHBondContact CE2-OE2 3.42Å; Y131-E257 VanDerWaalsContact CZ-CD 3.41Å; Y131-E257 PolarHBondContact OH-OE1 2.87Å; Y131-E257 PolarHBondContact OH-OE2 3.41Å
132	L	98.3	Very high	97.6	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-58.3	-40.9	172.1	-70.3	174	0	0	0	111.6	R94 C97 L101 Y128 H129 R130 E134 F135 A136 A144	R94-L132 HydrophobicContact CB-CD2 4.5Å; R94-L132 HydrophobicContact CG-CD2 4Å; C97-L132 HydrophobicContact CB-CD1 4.07Å; C97-L132 HydrophobicContact CB-CD2 3.6Å; C97-L132 HydrophobicContact CB-CG 3.7Å; L101-L132 HydrophobicContact CD1-CD1 3.82Å; Y128-L132 WeakPolarHBondContact O-CG 3.43Å; Y128-L132 PolarHBondContact O-N 3.38Å; Y128-L132 VanDerWaalsContact O-N 3.15Å; H129-L132 PolarHBondContact O-N 3.39Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.89Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.1Å; L132-F135 HydrophobicContact CD2-CE1 4.45Å; L132-F135 HydrophobicContact CD2-CZ 3.81Å; L132-A136 WeakPolarHBondContact O-CB 3.32Å; L132-A136 PolarHBondContact O-N 3.46Å; L132-A144 HydrophobicContact CB-CB 3.84Å
133	A	98.1	Very high	97.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-19.6	-179.8	0	0	0	0	0	114.2	H129 R130 Y131 F135 A144 A145 I184	H129-A133 PolarHBondContact O-N 3.16Å; R130-A133 WeakPolarHBondContact O-CA 3.3Å; R130-A133 WeakPolarHBondContact O-CB 3.24Å; R130-A133 PolarHBondContact O-N 3.41Å; Y131-A133 VanDerWaalsContact C-N 3.26Å; Y131-A133 PolarHBondContact O-N 2.83Å; A133-F135 VanDerWaalsContact C-N 3.34Å; A133-F135 PolarHBondContact O-N 3.38Å; A133-A144 HydrophobicContact CB-CB 3.86Å; A133-A145 HydrophobicContact CB-CB 4.45Å; A133-I184 HydrophobicContact CB-CD1 4.14Å; A133-I184 HydrophobicContact CB-CG1 4.45Å; A133-I184 HydrophobicContact CB-CG2 3.8Å
134	E	96	Very high	97.6	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-38.8	178.1	-69.8	176.5	-172.9	0	0	112.1	R57 W60 R130 Y131 L132 I184	R57-E134 IonicContact CZ-OE1 2.71Å; R57-E134 IonicContact CZ-OE2 3.39Å; R57-E134 IonicContact NE-OE1 3.39Å; R57-E134 PolarHBondContact NE-OE1 2.8Å; R57-E134 IonicContact NE-OE2 2.64Å; R57-E134 PolarHBondContact NE-OE2 3.17Å; R57-E134 IonicContact NH2-OE1 2.59Å; R57-E134 PolarHBondContact NH2-OE1 3.39Å; R57-E134 IonicContact NH2-OE2 2.82Å; W60-E134 HydrophobicContact CH2-CB 4.2Å; W60-E134 WeakPolarHBondContact CH2-O 3.32Å; W60-E134 HydrophobicContact CZ3-CB 4.2Å; R130-E134 IonicContact NH1-OE1 3.21Å; R130-E134 PolarHBondContact O-N 3.21Å; R130-E134 VanDerWaalsContact O-N 3.14Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.3Å; Y131-E134 WeakPolarHBondContact O-CB 3.46Å; Y131-E134 PolarHBondContact O-N 3.06Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 3.1Å; E134-I184 HydrophobicContact CG-CD1 4.13Å
135	F	95.3	Very high	97.7	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.057	23%	0.225	C	C	.	.	H	α-helix	trans	-120	-12.7	-173.4	65.6	-96	0	0	0	114	W60 E90 L93 R94 Y131 L132 A133	W60-F135 HydrophobicContact CD2-CB 4.39Å; W60-F135 HydrophobicContact CH2-CB 4.13Å; W60-F135 HydrophobicContact CZ2-CB 3.39Å; E90-F135 HydrophobicContact CB-CD2 3.95Å; E90-F135 HydrophobicContact CB-CE2 4.25Å; E90-F135 HydrophobicContact CG-CB 4.13Å; E90-F135 HydrophobicContact CG-CD2 3.85Å; E90-F135 HydrophobicContact CG-CG 4.12Å; L93-F135 HydrophobicContact CB-CD1 4.48Å; L93-F135 HydrophobicContact CB-CE1 3.7Å; L93-F135 HydrophobicContact CB-CZ 3.85Å; L93-F135 HydrophobicContact CD1-CD1 3.99Å; L93-F135 HydrophobicContact CD1-CE1 4.01Å; L93-F135 HydrophobicContact CG-CE1 4.44Å; R94-F135 HydrophobicContact CG-CE2 3.47Å; R94-F135 VanDerWaalsContact CG-CE2 3.47Å; R94-F135 HydrophobicContact CG-CZ 3.57Å; Y131-F135 WeakPolarHBondContact O-CD1 3.28Å; Y131-F135 WeakPolarHBondContact O-CE1 3.46Å; L132-F135 HydrophobicContact CD2-CE1 4.45Å; L132-F135 HydrophobicContact CD2-CZ 3.81Å; A133-F135 VanDerWaalsContact C-N 3.34Å; A133-F135 PolarHBondContact O-N 3.38Å
136	A	97.2	Very high	97.6	Very high	18 Å²	18	42.5 Å²	42.5	15%	0.149	24%	0.239	C	C	.	.			trans	-66.4	158.3	173.5	0	0	0	0	0	111.6	L132 D140 R141	L132-A136 WeakPolarHBondContact O-CB 3.32Å; L132-A136 PolarHBondContact O-N 3.46Å; A136-D140 HydrophobicContact CB-CB 4.09Å; A136-R141 HydrophobicContact CB-CB 4.07Å; A136-R141 WeakPolarHBondContact O-CB 3.31Å
137	T	95.3	Very high	97.7	Very high	112 Å²	112	45.4 Å²	45.4	69%	0.687	26%	0.255	S	S	*	.			trans	-130.2	162.9	178.7	60.2	0	0	0	0	110.8	S139 D140 R141	T137-S139 PolarHBondContact O-N 3.43Å; T137-D140 PolarHBondContact O-N 3.31Å; T137-R141 PolarHBondContact O-N 2.84Å
138	G	95.8	Very high	97.7	Very high	65 Å²	65	45.2 Å²	45.2	67%	0.67	25%	0.254	S	S	*	.	H	α-helix	trans	57.4	-130.8	174	0	0	0	0	0	114.2	K142	G138-K142 PolarHBondContact O-N 2.67Å
139	S	97.5	Very high	97.7	Very high	78 Å²	78	47 Å²	47	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-42.4	178.1	47.5	0	0	0	0	112.3	T137 R141 K142 D143	T137-S139 PolarHBondContact O-N 3.43Å; S139-R141 VanDerWaalsContact C-N 3.27Å; S139-R141 PolarHBondContact O-N 2.91Å; S139-K142 WeakPolarHBondContact O-CA 3.45Å; S139-K142 WeakPolarHBondContact O-CB 3.45Å; S139-K142 PolarHBondContact O-N 3.15Å; S139-D143 PolarHBondContact O-N 2.95Å
140	D	97.1	Very high	97.7	Very high	105 Å²	105	51.5 Å²	51.5	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-64.1	-37.3	-174.4	-61.5	0.7	0	0	0	110.8	A136 T137 A144	A136-D140 HydrophobicContact CB-CB 4.09Å; T137-D140 PolarHBondContact O-N 3.31Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.44Å; D140-A144 PolarHBondContact O-N 2.92Å
141	R	98	Very high	97.7	Very high	96 Å²	96	51.6 Å²	51.6	36%	0.362	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-43.9	173.4	-169.6	-178.7	175.2	-79.1	-1	111.7	A136 T137 S139 A145 I184	A136-R141 HydrophobicContact CB-CB 4.07Å; A136-R141 WeakPolarHBondContact O-CB 3.31Å; T137-R141 PolarHBondContact O-N 2.84Å; S139-R141 VanDerWaalsContact C-N 3.27Å; S139-R141 PolarHBondContact O-N 2.91Å; R141-A145 WeakPolarHBondContact O-CB 3.49Å; R141-A145 PolarHBondContact O-N 2.75Å; R141-I184 PolarHBondContact NH2-O 3.49Å
142	K	98.2	Very high	97.8	Very high	127 Å²	127	51.6 Å²	51.6	55%	0.552	29%	0.287	S	S	*	.	H	α-helix	trans	-64.3	-47.1	-179.5	-177.6	-179.3	169.5	-175.3	0	110.5	G138 S139 A144 A145 E146	G138-K142 PolarHBondContact O-N 2.67Å; S139-K142 WeakPolarHBondContact O-CA 3.45Å; S139-K142 WeakPolarHBondContact O-CB 3.45Å; S139-K142 PolarHBondContact O-N 3.15Å; K142-A144 PolarHBondContact O-N 3.47Å; K142-A145 PolarHBondContact O-N 2.7Å; K142-E146 WeakPolarHBondContact CE-OE1 3.27Å; K142-E146 IonicContact NZ-OE1 3.85Å; K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 3.26Å
143	D	98.3	Very high	97.8	Very high	81 Å²	81	55.2 Å²	55.2	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-63.4	-42.3	179.5	-66.5	-8.5	0	0	0	111	S139 E146 N147	S139-D143 PolarHBondContact O-N 2.95Å; D143-E146 PolarHBondContact O-N 2.95Å; D143-N147 WeakPolarHBondContact O-CB 3.4Å; D143-N147 PolarHBondContact O-N 3.19Å; D143-N147 PolarHBondContact O-ND2 3.36Å
144	A	98.5	Very high	97.8	Very high	8 Å²	8	56.5 Å²	56.5	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-46	174.8	0	0	0	0	0	112	L132 A133 D140 K142 E146 N147 S148	L132-A144 HydrophobicContact CB-CB 3.84Å; A133-A144 HydrophobicContact CB-CB 3.86Å; D140-A144 VanDerWaalsContact O-CB 3.27Å; D140-A144 WeakPolarHBondContact O-CB 3.44Å; D140-A144 PolarHBondContact O-N 2.92Å; K142-A144 PolarHBondContact O-N 3.47Å; A144-E146 PolarHBondContact O-N 3.15Å; A144-N147 PolarHBondContact O-N 3.23Å; A144-S148 WeakPolarHBondContact O-CB 3.35Å; A144-S148 PolarHBondContact O-N 3.45Å
145	A	98.5	Very high	97.9	Very high	10 Å²	10	54.7 Å²	54.7	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-40.9	177.8	0	0	0	0	0	112.5	A133 R141 K142 S148 L149 F180 I184	A133-A145 HydrophobicContact CB-CB 4.45Å; R141-A145 WeakPolarHBondContact O-CB 3.49Å; R141-A145 PolarHBondContact O-N 2.75Å; K142-A145 PolarHBondContact O-N 2.7Å; A145-S148 PolarHBondContact O-N 2.59Å; A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 PolarHBondContact O-N 3.09Å; A145-F180 HydrophobicContact CB-CE2 4.48Å; A145-F180 WeakPolarHBondContact O-CZ 3.1Å; A145-I184 HydrophobicContact CB-CG2 3.75Å
146	E	98.6	Very high	98.1	Very high	94 Å²	94	54.9 Å²	54.9	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-46.2	176.8	-75.1	179.8	-175.8	0	0	111.6	K142 D143 A144 S148 L149 I150	K142-E146 WeakPolarHBondContact CE-OE1 3.27Å; K142-E146 IonicContact NZ-OE1 3.85Å; K142-E146 WeakPolarHBondContact O-CB 3.33Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 3.26Å; D143-E146 PolarHBondContact O-N 2.95Å; A144-E146 PolarHBondContact O-N 3.15Å; E146-S148 PolarHBondContact O-N 3.05Å; E146-L149 PolarHBondContact O-N 3.27Å; E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.45Å; E146-I150 PolarHBondContact O-N 3.33Å
147	N	98.7	Very high	98.1	Very high	60 Å²	60	59 Å²	59	32%	0.321	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-38.3	177.1	-78.5	-70.7	0	0	0	112.4	H129 D143 A144 I150 A151	H129-N147 HydrophobicContact CB-CB 4.38Å; D143-N147 WeakPolarHBondContact O-CB 3.4Å; D143-N147 PolarHBondContact O-N 3.19Å; D143-N147 PolarHBondContact O-ND2 3.36Å; A144-N147 PolarHBondContact O-N 3.23Å; N147-I150 PolarHBondContact O-N 3.39Å; N147-A151 WeakPolarHBondContact O-CB 3.36Å; N147-A151 PolarHBondContact O-N 3.04Å
148	S	98.7	Very high	98.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-48.8	173.7	-175.2	0	0	0	0	111.1	G126 A144 A145 E146 I150 A151 Y152 F180	G126-S148 PolarHBondContact O-OG 2.88Å; A144-S148 WeakPolarHBondContact O-CB 3.35Å; A144-S148 PolarHBondContact O-N 3.45Å; A145-S148 PolarHBondContact O-N 2.59Å; E146-S148 PolarHBondContact O-N 3.05Å; S148-I150 PolarHBondContact O-N 3.46Å; S148-A151 PolarHBondContact O-N 3.36Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.03Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.41Å; S148-F180 WeakPolarHBondContact OG-CD2 3.48Å; S148-F180 WeakPolarHBondContact OG-CE2 3.31Å
149	L	98.7	Very high	98.4	Very high	39 Å²	39	52.5 Å²	52.5	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-42.5	177.3	179.4	61.7	0	0	0	112.5	A145 E146 K153 F177 F180 Y181	A145-L149 WeakPolarHBondContact O-CB 3.31Å; A145-L149 PolarHBondContact O-N 3.09Å; E146-L149 PolarHBondContact O-N 3.27Å; L149-K153 HydrophobicContact CD1-CD 4.19Å; L149-K153 HydrophobicContact CD1-CG 4.28Å; L149-K153 HydrophobicContact CG-CD 4.27Å; L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 VanDerWaalsContact O-CG 3.32Å; L149-K153 WeakPolarHBondContact O-CG 3.25Å; L149-K153 PolarHBondContact O-N 3.41Å; L149-F177 HydrophobicContact CD1-CE2 3.78Å; L149-F177 HydrophobicContact CD1-CZ 3.8Å; L149-F180 HydrophobicContact CB-CE1 3.98Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.01Å; L149-Y181 HydrophobicContact CD1-CE1 4.44Å
150	I	98.7	Very high	98.4	Very high	111 Å²	111	54.5 Å²	54.5	57%	0.569	28%	0.275	S	S	*	.	H	α-helix	trans	-61.3	-47.1	177.2	-71	165	0	0	0	110.2	E146 N147 S148 K153 A154	E146-I150 VanDerWaalsContact O-CG1 3.27Å; E146-I150 WeakPolarHBondContact O-CG1 3.45Å; E146-I150 PolarHBondContact O-N 3.33Å; N147-I150 PolarHBondContact O-N 3.39Å; S148-I150 PolarHBondContact O-N 3.46Å; I150-K153 PolarHBondContact O-N 3.19Å; I150-A154 WeakPolarHBondContact O-CB 3.41Å; I150-A154 PolarHBondContact O-N 3.42Å
151	A	98.8	Very high	98.4	Very high	2 Å²	2	56 Å²	56	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-44.9	-178.7	0	0	0	0	0	112.3	K125 N147 S148 K153 A154 A155	K125-A151 HydrophobicContact CB-CB 4.08Å; K125-A151 HydrophobicContact CD-CB 4.28Å; K125-A151 HydrophobicContact CG-CB 3.83Å; N147-A151 WeakPolarHBondContact O-CB 3.36Å; N147-A151 PolarHBondContact O-N 3.04Å; S148-A151 PolarHBondContact O-N 3.36Å; A151-K153 PolarHBondContact O-N 3.17Å; A151-A154 PolarHBondContact O-N 3.06Å; A151-A155 PolarHBondContact O-N 3.34Å
152	Y	98.8	Very high	98.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-37.4	177	-74.5	-49.3	0	0	0	113.3	G126 D127 R130 S148 A155 S156 L173 N176 F177 F180	G126-Y152 VanDerWaalsContact C-CZ 3.45Å; D127-Y152 WeakPolarHBondContact CA-OH 3.27Å; D127-Y152 PolarHBondContact N-OH 2.6Å; D127-Y152 WeakPolarHBondContact OD1-CE1 3.26Å; D127-Y152 PolarHBondContact OD1-OH 3.45Å; R130-Y152 PolarHBondContact NE-OH 3.05Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.39Å; S148-Y152 PolarHBondContact O-N 3.03Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.41Å; Y152-A155 PolarHBondContact O-N 3.05Å; Y152-S156 WeakPolarHBondContact O-CB 3.41Å; Y152-S156 PolarHBondContact O-N 3.4Å; Y152-S156 PolarHBondContact O-OG 3.01Å; Y152-L173 HydrophobicContact CD1-CD1 3.66Å; Y152-L173 HydrophobicContact CE1-CD1 4.36Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; Y152-F177 VanDerWaalsContact CB-CD2 3.47Å; Y152-F177 HydrophobicContact CD1-CB 4.05Å; Y152-F177 HydrophobicContact CD1-CD2 4.48Å; Y152-F177 HydrophobicContact CD1-CG 4.31Å; Y152-F177 HydrophobicContact CD2-CB 4.38Å; Y152-F177 AromaticContact CD2-CD2 3.49Å; Y152-F177 HydrophobicContact CD2-CD2 3.49Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.49Å; Y152-F177 AromaticContact CD2-CE2 3.97Å; Y152-F177 HydrophobicContact CD2-CE2 3.97Å; Y152-F177 HydrophobicContact CD2-CG 4.12Å; Y152-F177 HydrophobicContact CE1-CB 4.47Å; Y152-F177 HydrophobicContact CE2-CD2 4.29Å; Y152-F177 HydrophobicContact CG-CB 4Å; Y152-F177 HydrophobicContact CG-CD1 4.41Å; Y152-F177 AromaticContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CE2 4.1Å; Y152-F177 AromaticContact CG-CG 3.78Å; Y152-F177 HydrophobicContact CG-CG 3.78Å; Y152-F180 HydrophobicContact CD2-CB 4.19Å; Y152-F180 HydrophobicContact CD2-CD1 4.21Å; Y152-F180 HydrophobicContact CD2-CG 4.06Å; Y152-F180 HydrophobicContact CE2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CD1 4.41Å; Y152-F180 HydrophobicContact CE2-CD2 4.15Å; Y152-F180 AromaticContact CE2-CG 3.81Å; Y152-F180 HydrophobicContact CE2-CG 3.81Å
153	K	98.7	Very high	98.3	Very high	102 Å²	102	50.5 Å²	50.5	44%	0.443	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-46.8	173.9	-77.6	178.8	172.9	177.1	0	111.7	L149 I150 A151 A155 S156 D157 F177	L149-K153 HydrophobicContact CD1-CD 4.19Å; L149-K153 HydrophobicContact CD1-CG 4.28Å; L149-K153 HydrophobicContact CG-CD 4.27Å; L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 VanDerWaalsContact O-CG 3.32Å; L149-K153 WeakPolarHBondContact O-CG 3.25Å; L149-K153 PolarHBondContact O-N 3.41Å; I150-K153 PolarHBondContact O-N 3.19Å; A151-K153 PolarHBondContact O-N 3.17Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 3.44Å; K153-S156 WeakPolarHBondContact O-CB 3.48Å; K153-S156 PolarHBondContact O-N 3.04Å; K153-D157 PolarHBondContact O-N 3.33Å; K153-F177 HydrophobicContact CG-CE1 4.49Å; K153-F177 HydrophobicContact CG-CZ 4.12Å
154	A	98.5	Very high	98.2	Very high	28 Å²	28	49.8 Å²	49.8	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-42.4	176	0	0	0	0	0	111.8	Y122 I150 A151 I158	Y122-A154 HydrophobicContact CD1-CB 3.94Å; Y122-A154 HydrophobicContact CE1-CB 4.12Å; Y122-A154 HydrophobicContact CG-CB 4.22Å; I150-A154 WeakPolarHBondContact O-CB 3.41Å; I150-A154 PolarHBondContact O-N 3.42Å; A151-A154 PolarHBondContact O-N 3.06Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.32Å; A154-I158 PolarHBondContact O-N 3.01Å
155	A	98.7	Very high	98.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-42.5	173.6	0	0	0	0	0	111.9	V119 A151 Y152 K153 I158 A159 L173	V119-A155 HydrophobicContact CG1-CB 4.41Å; A151-A155 PolarHBondContact O-N 3.34Å; Y152-A155 PolarHBondContact O-N 3.05Å; K153-A155 VanDerWaalsContact C-N 3.3Å; K153-A155 PolarHBondContact O-N 3.44Å; A155-I158 PolarHBondContact O-N 2.8Å; A155-A159 VanDerWaalsContact O-CB 3.23Å; A155-A159 WeakPolarHBondContact O-CB 3.26Å; A155-A159 PolarHBondContact O-N 2.54Å; A155-L173 VanDerWaalsContact C-CD2 3.5Å; A155-L173 HydrophobicContact CB-CD1 3.69Å; A155-L173 HydrophobicContact CB-CD2 3.63Å; A155-L173 HydrophobicContact CB-CG 4.32Å
156	S	98.5	Very high	97.9	Very high	17 Å²	17	50.1 Å²	50.1	12%	0.119	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-43.8	-177.4	-59.7	0	0	0	0	111.7	Y152 K153 I158 A159 M160	Y152-S156 WeakPolarHBondContact O-CB 3.41Å; Y152-S156 PolarHBondContact O-N 3.4Å; Y152-S156 PolarHBondContact O-OG 3.01Å; K153-S156 WeakPolarHBondContact O-CB 3.48Å; K153-S156 PolarHBondContact O-N 3.04Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.46Å; S156-A159 PolarHBondContact O-N 3.44Å; S156-M160 VanDerWaalsContact O-CG 3.3Å; S156-M160 WeakPolarHBondContact O-CG 3.34Å; S156-M160 PolarHBondContact O-N 3.31Å
157	D	98.3	Very high	97.8	Very high	104 Å²	104	47.3 Å²	47.3	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-61.7	-39.6	179.1	-68	-19.5	0	0	0	111.5	K153 N161	K153-D157 PolarHBondContact O-N 3.33Å; D157-N161 PolarHBondContact O-ND2 3.28Å
158	I	98.5	Very high	97.6	Very high	38 Å²	38	45.1 Å²	45.1	20%	0.195	24%	0.242	C	C	.	.	H	α-helix	trans	-72	-46	175.8	-59.6	168	0	0	0	110.1	K118 V119 Y122 A154 A155 S156 M160 N161 D162	K118-I158 HydrophobicContact CB-CD1 3.91Å; K118-I158 HydrophobicContact CB-CG2 4.4Å; K118-I158 HydrophobicContact CD-CD1 4.36Å; V119-I158 HydrophobicContact CG2-CB 3.82Å; V119-I158 HydrophobicContact CG2-CG2 3.6Å; Y122-I158 HydrophobicContact CD2-CD1 4.07Å; Y122-I158 HydrophobicContact CE2-CD1 4.15Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.32Å; A154-I158 PolarHBondContact O-N 3.01Å; A155-I158 PolarHBondContact O-N 2.8Å; S156-I158 VanDerWaalsContact C-N 3.31Å; S156-I158 PolarHBondContact O-N 3.46Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 3.33Å; I158-N161 PolarHBondContact O-N 2.77Å; I158-N161 VanDerWaalsContact O-N 3.09Å; I158-D162 HydrophobicContact CG2-CB 4.35Å; I158-D162 WeakPolarHBondContact O-CB 3.49Å; I158-D162 PolarHBondContact O-N 3.42Å
159	A	98.4	Very high	97.5	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-35.6	-177.5	0	0	0	0	0	112.9	V119 A155 S156 N161 L163 R170 L173	V119-A159 HydrophobicContact CG1-CB 3.88Å; V119-A159 HydrophobicContact CG2-CB 3.8Å; A155-A159 VanDerWaalsContact O-CB 3.23Å; A155-A159 WeakPolarHBondContact O-CB 3.26Å; A155-A159 PolarHBondContact O-N 2.54Å; S156-A159 PolarHBondContact O-N 3.44Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 2.93Å; A159-L163 HydrophobicContact CB-CD1 4.32Å; A159-L163 PolarHBondContact O-N 3.25Å; A159-L163 VanDerWaalsContact O-N 3.12Å; A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.11Å; A159-L173 HydrophobicContact CB-CD2 4.01Å
160	M	97	Very high	97.4	Very high	121 Å²	121	46.1 Å²	46.1	60%	0.596	24%	0.244	S	C	*	.	H	α-helix	trans	-64.8	-30	176.9	-75.3	179.5	-173.8	0	0	113.2	S156 I158	S156-M160 VanDerWaalsContact O-CG 3.3Å; S156-M160 WeakPolarHBondContact O-CG 3.34Å; S156-M160 PolarHBondContact O-N 3.31Å; I158-M160 VanDerWaalsContact C-N 3.29Å; I158-M160 PolarHBondContact O-N 3.33Å
161	N	96.6	Very high	97.4	Very high	136 Å²	136	41 Å²	41	73%	0.727	22%	0.218	S	C	*	.	H	α-helix	trans	-93.6	-36.5	-178.2	-68.8	-57.4	0	0	0	112.7	D157 I158 A159	D157-N161 PolarHBondContact O-ND2 3.28Å; I158-N161 PolarHBondContact O-N 2.77Å; I158-N161 VanDerWaalsContact O-N 3.09Å; A159-N161 VanDerWaalsContact C-N 3.26Å; A159-N161 PolarHBondContact O-N 2.93Å
162	D	97.7	Very high	97.3	Very high	94 Å²	94	41 Å²	41	50%	0.503	22%	0.218	S	C	.	.	H	α-helix	trans	-106.8	-18.3	-165.5	-68	8.7	0	0	0	113.5	G115 I158	G115-D162 WeakPolarHBondContact CA-OD2 3.14Å; I158-D162 HydrophobicContact CG2-CB 4.35Å; I158-D162 WeakPolarHBondContact O-CB 3.49Å; I158-D162 PolarHBondContact O-N 3.42Å
163	L	96.5	Very high	97.3	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	22%	0.22	C	C	.	.	S	Bend	trans	-123.7	134.9	-174.9	-56.3	-179.3	0	0	0	111.8	E116 V119 A159 H167 I169 R170	E116-L163 HydrophobicContact CB-CD2 4.16Å; E116-L163 HydrophobicContact CG-CD2 4.49Å; V119-L163 HydrophobicContact CB-CD1 4Å; V119-L163 HydrophobicContact CG1-CD1 4.03Å; V119-L163 HydrophobicContact CG2-CD1 3.89Å; V119-L163 HydrophobicContact CG2-CG 4.5Å; A159-L163 HydrophobicContact CB-CD1 4.32Å; A159-L163 PolarHBondContact O-N 3.25Å; A159-L163 VanDerWaalsContact O-N 3.12Å; L163-H167 HydrophobicContact CB-CB 4.04Å; L163-I169 HydrophobicContact CD1-CB 4.36Å; L163-I169 HydrophobicContact CD1-CG2 4.19Å; L163-R170 HydrophobicContact CB-CB 4.2Å; L163-R170 HydrophobicContact CD1-CB 4.27Å; L163-R170 PolarHBondContact O-NH1 3Å
164	P	95.9	Very high	97.2	Very high	66 Å²	66	36.9 Å²	36.9	43%	0.429	20%	0.202	S	C	.	.			trans	-63.4	152.8	174.9	26.4	-32.5	0	0	0	110.9	T166 H167 R170	P164-T166 PolarHBondContact O-N 2.73Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.25Å; P164-H167 PolarHBondContact O-N 3.04Å; P164-R170 WeakPolarHBondContact O-CD 3.48Å
165	P	96.8	Very high	97.2	Very high	19 Å²	19	35.5 Å²	35.5	12%	0.123	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.7	179.4	-28.1	35.5	0	0	0	114.7	D201 E205	P165-D201 HydrophobicContact CB-CB 3.92Å; P165-D201 HydrophobicContact CG-CB 4.44Å; P165-E205 WeakPolarHBondContact CD-OE2 3.41Å
166	T	95.8	Very high	97.1	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.037	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.7	-178.1	57.9	0	0	0	0	114	P164 A202 E205 L209 S217	P164-T166 PolarHBondContact O-N 2.73Å; T166-A202 HydrophobicContact CG2-CB 4.32Å; T166-A202 WeakPolarHBondContact CG2-O 3.41Å; T166-E205 HydrophobicContact CG2-CB 3.76Å; T166-L209 VanDerWaalsContact CB-CD1 3.42Å; T166-L209 HydrophobicContact CG2-CD1 4.39Å; T166-L209 WeakPolarHBondContact O-CD1 3.46Å; T166-L209 WeakPolarHBondContact OG1-CD1 3.41Å; T166-S217 WeakPolarHBondContact O-CB 3.15Å; T166-S217 PolarHBondContact O-OG 3.47Å
167	H	95	Very high	97.1	Very high	35 Å²	35	35 Å²	35	16%	0.162	19%	0.187	C	C	.	.			trans	-66.3	130.2	-179.4	-165.4	-72	0	0	0	111.5	E116 L163 P164 I169 R170 L171	E116-H167 IonicContact OE2-NE2 2.86Å; L163-H167 HydrophobicContact CB-CB 4.04Å; P164-H167 HydrophobicContact CG-CB 4.02Å; P164-H167 WeakPolarHBondContact O-CB 3.25Å; P164-H167 PolarHBondContact O-N 3.04Å; H167-I169 PolarHBondContact ND1-N 3.46Å; H167-I169 VanDerWaalsContact ND1-N 3.17Å; H167-I169 PolarHBondContact O-N 3.49Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 2.88Å; H167-L171 PolarHBondContact O-N 2.95Å
168	P	95.2	Very high	97.1	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-53	-46.3	-178.1	-27.4	32.4	0	0	0	113.8	R170 L171 G172 D216 S217 I220	P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.43Å; P168-L171 PolarHBondContact O-N 3.13Å; P168-G172 PolarHBondContact O-N 3.08Å; P168-D216 HydrophobicContact CB-CB 4.11Å; P168-D216 HydrophobicContact CG-CB 4.03Å; P168-S217 WeakPolarHBondContact CD-OG 3.4Å; P168-S217 WeakPolarHBondContact CG-OG 3.05Å; P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.38Å
169	I	96	Very high	97	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.072	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-38.8	177.5	-66.8	171.5	0	0	0	112.9	E116 V119 F120 L163 H167 L173	E116-I169 HydrophobicContact CG-CD1 3.45Å; E116-I169 VanDerWaalsContact CG-CD1 3.45Å; V119-I169 HydrophobicContact CB-CG2 4.06Å; V119-I169 HydrophobicContact CG1-CG2 3.57Å; F120-I169 HydrophobicContact CB-CD1 4.38Å; F120-I169 HydrophobicContact CD2-CD1 3.8Å; F120-I169 HydrophobicContact CD2-CG1 4.17Å; L163-I169 HydrophobicContact CD1-CB 4.36Å; L163-I169 HydrophobicContact CD1-CG2 4.19Å; H167-I169 PolarHBondContact ND1-N 3.46Å; H167-I169 VanDerWaalsContact ND1-N 3.17Å; H167-I169 PolarHBondContact O-N 3.49Å; I169-L173 WeakPolarHBondContact O-CB 3.28Å; I169-L173 PolarHBondContact O-N 3.21Å
170	R	97.5	Very high	97	Very high	47 Å²	47	28.2 Å²	28.2	18%	0.177	15%	0.151	C	C	.	.	H	α-helix	trans	-69.8	-43.5	178.5	177.4	173	170.1	173.8	-6.2	111.1	A159 L163 P164 H167 P168 L173 A174	A159-R170 HydrophobicContact CB-CB 4.38Å; A159-R170 HydrophobicContact CB-CG 4.11Å; L163-R170 HydrophobicContact CB-CB 4.2Å; L163-R170 HydrophobicContact CD1-CB 4.27Å; L163-R170 PolarHBondContact O-NH1 3Å; P164-R170 WeakPolarHBondContact O-CD 3.48Å; H167-R170 HydrophobicContact CB-CB 4.17Å; H167-R170 PolarHBondContact O-N 2.88Å; P168-R170 VanDerWaalsContact C-N 3.35Å; P168-R170 PolarHBondContact O-N 3.43Å; R170-L173 WeakPolarHBondContact O-CB 3.42Å; R170-L173 PolarHBondContact O-N 3.46Å; R170-A174 PolarHBondContact O-N 3.37Å
171	L	97.6	Very high	97.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174.1	-75.8	170.6	0	0	0	111.5	H167 P168 L173 A174 L175 A202 I220 M221 L224	H167-L171 PolarHBondContact O-N 2.95Å; P168-L171 PolarHBondContact O-N 3.13Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.22Å; L171-A174 WeakPolarHBondContact O-CB 3.38Å; L171-A174 PolarHBondContact O-N 3.3Å; L171-A174 VanDerWaalsContact O-N 3.14Å; L171-L175 PolarHBondContact O-N 3.03Å; L171-A202 HydrophobicContact CD2-CB 3.73Å; L171-I220 HydrophobicContact CB-CB 4.12Å; L171-I220 HydrophobicContact CB-CD1 4.1Å; L171-I220 HydrophobicContact CB-CG2 3.67Å; L171-M221 HydrophobicContact CD1-CG 3.93Å; L171-M221 HydrophobicContact CD1-SD 4.38Å; L171-M221 HydrophobicContact CD2-CG 4.05Å; L171-L224 HydrophobicContact CD2-CD1 4Å
172	G	97.1	Very high	97.1	Very high	3 Å²	3	18 Å²	18	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-34.6	178.5	0	0	0	0	0	112.6	K123 P168 N176	K123-G172 WeakPolarHBondContact CE-O 3.36Å; P168-G172 PolarHBondContact O-N 3.08Å; G172-N176 PolarHBondContact O-N 2.65Å
173	L	98.3	Very high	96.9	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-48.7	170.1	169.1	64.1	0	0	0	111.2	V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 F177	V119-L173 HydrophobicContact CG1-CD2 4.04Å; K123-L173 HydrophobicContact CB-CD1 4.1Å; K123-L173 HydrophobicContact CD-CB 4.12Å; K123-L173 HydrophobicContact CG-CB 4.32Å; K123-L173 HydrophobicContact CG-CD1 4.06Å; Y152-L173 HydrophobicContact CD1-CD1 3.66Å; Y152-L173 HydrophobicContact CE1-CD1 4.36Å; A155-L173 VanDerWaalsContact C-CD2 3.5Å; A155-L173 HydrophobicContact CB-CD1 3.69Å; A155-L173 HydrophobicContact CB-CD2 3.63Å; A155-L173 HydrophobicContact CB-CG 4.32Å; A159-L173 HydrophobicContact CB-CD2 4.01Å; I169-L173 WeakPolarHBondContact O-CB 3.28Å; I169-L173 PolarHBondContact O-N 3.21Å; R170-L173 WeakPolarHBondContact O-CB 3.42Å; R170-L173 PolarHBondContact O-N 3.46Å; L171-L173 VanDerWaalsContact C-N 3.3Å; L171-L173 PolarHBondContact O-N 3.22Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 2.97Å; L173-N176 PolarHBondContact O-N 3.15Å; L173-F177 WeakPolarHBondContact O-CB 3.37Å; L173-F177 PolarHBondContact O-N 3.14Å
174	A	98.4	Very high	97	Very high	10 Å²	10	16.5 Å²	16.5	8%	0.083	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-41.7	179.1	0	0	0	0	0	111.8	R170 L171 S178 A198	R170-A174 PolarHBondContact O-N 3.37Å; L171-A174 WeakPolarHBondContact O-CB 3.38Å; L171-A174 PolarHBondContact O-N 3.3Å; L171-A174 VanDerWaalsContact O-N 3.14Å; A174-S178 VanDerWaalsContact O-CB 3.27Å; A174-S178 WeakPolarHBondContact O-CB 3.39Å; A174-S178 PolarHBondContact O-N 3.08Å; A174-S178 PolarHBondContact O-OG 3.28Å; A174-S178 VanDerWaalsContact O-OG 3.11Å; A174-A198 HydrophobicContact CB-CB 3.38Å
175	L	97.5	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.4	-61.1	175.1	179.1	56.8	0	0	0	110.7	L171 L173 F177 S178 V179 I220 L223 L224 N227 V256	L171-L175 PolarHBondContact O-N 3.03Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 2.97Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 3.49Å; L175-S178 PolarHBondContact O-N 3.39Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 2.89Å; L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 3.01Å; L175-I220 HydrophobicContact CB-CG2 4.25Å; L175-I220 HydrophobicContact CD2-CG2 4.11Å; L175-L223 HydrophobicContact CD1-CB 4.27Å; L175-L223 HydrophobicContact CD2-CB 3.59Å; L175-L223 HydrophobicContact CD2-CD1 3.61Å; L175-L223 HydrophobicContact CD2-CG 4.26Å; L175-L224 HydrophobicContact CB-CD2 3.93Å; L175-L224 HydrophobicContact CB-CG 4.2Å; L175-L224 HydrophobicContact CD1-CD2 3.99Å; L175-L224 HydrophobicContact CD1-CG 4.24Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.46Å; L175-V256 HydrophobicContact CB-CG2 4.24Å; L175-V256 HydrophobicContact CD2-CG2 3.68Å; L175-V256 HydrophobicContact CG-CG2 4.23Å
176	N	97.2	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-36.1	-176.2	-75.1	14.6	0	0	0	113	K123 D127 Y152 G172 L173 V179 F180 V256	K123-N176 PolarHBondContact NZ-ND2 2.92Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.27Å; D127-N176 PolarHBondContact OD1-ND2 3.11Å; D127-N176 PolarHBondContact OD2-ND2 3Å; Y152-N176 HydrophobicContact CE1-CB 4.28Å; G172-N176 PolarHBondContact O-N 2.65Å; L173-N176 PolarHBondContact O-N 3.15Å; N176-V179 PolarHBondContact O-N 3.42Å; N176-F180 PolarHBondContact O-N 2.97Å; N176-V256 WeakPolarHBondContact OD1-CG2 3.4Å; N176-V256 PolarHBondContact OD1-N 3.44Å; N176-V256 VanDerWaalsContact OD1-N 3.11Å
177	F	98.5	Very high	96.9	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-71	-32.5	178.1	-169.7	-166.4	0	0	0	112	L149 Y152 K153 L173 L175 F180 Y181 L194	L149-F177 HydrophobicContact CD1-CE2 3.78Å; L149-F177 HydrophobicContact CD1-CZ 3.8Å; Y152-F177 VanDerWaalsContact CB-CD2 3.47Å; Y152-F177 HydrophobicContact CD1-CB 4.05Å; Y152-F177 HydrophobicContact CD1-CD2 4.48Å; Y152-F177 HydrophobicContact CD1-CG 4.31Å; Y152-F177 HydrophobicContact CD2-CB 4.38Å; Y152-F177 AromaticContact CD2-CD2 3.49Å; Y152-F177 HydrophobicContact CD2-CD2 3.49Å; Y152-F177 VanDerWaalsContact CD2-CD2 3.49Å; Y152-F177 AromaticContact CD2-CE2 3.97Å; Y152-F177 HydrophobicContact CD2-CE2 3.97Å; Y152-F177 HydrophobicContact CD2-CG 4.12Å; Y152-F177 HydrophobicContact CE1-CB 4.47Å; Y152-F177 HydrophobicContact CE2-CD2 4.29Å; Y152-F177 HydrophobicContact CG-CB 4Å; Y152-F177 HydrophobicContact CG-CD1 4.41Å; Y152-F177 AromaticContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CD2 3.6Å; Y152-F177 HydrophobicContact CG-CE2 4.1Å; Y152-F177 AromaticContact CG-CG 3.78Å; Y152-F177 HydrophobicContact CG-CG 3.78Å; K153-F177 HydrophobicContact CG-CE1 4.49Å; K153-F177 HydrophobicContact CG-CZ 4.12Å; L173-F177 WeakPolarHBondContact O-CB 3.37Å; L173-F177 PolarHBondContact O-N 3.14Å; L175-F177 VanDerWaalsContact C-N 3.32Å; L175-F177 PolarHBondContact O-N 3.49Å; F177-F180 HydrophobicContact CD2-CB 4.32Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.42Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.16Å; F177-F180 WeakPolarHBondContact O-CB 3.49Å; F177-F180 PolarHBondContact O-N 3.37Å; F177-Y181 HydrophobicContact CD1-CE2 4.27Å; F177-Y181 AromaticContact CD2-CD2 3.96Å; F177-Y181 HydrophobicContact CD2-CD2 3.96Å; F177-Y181 AromaticContact CD2-CE2 3.69Å; F177-Y181 HydrophobicContact CD2-CE2 3.69Å; F177-Y181 AromaticContact CE1-CE2 3.96Å; F177-Y181 HydrophobicContact CE1-CE2 3.96Å; F177-Y181 AromaticContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CE1 4.41Å; F177-Y181 AromaticContact CE2-CE2 3.32Å; F177-Y181 HydrophobicContact CE2-CE2 3.32Å; F177-Y181 AromaticContact CE2-CZ 3.57Å; F177-Y181 HydrophobicContact CG-CD2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.15Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.61Å; F177-Y181 VanDerWaalsContact CZ-OH 3.27Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.44Å; F177-Y181 VanDerWaalsContact O-CD2 3.25Å; F177-Y181 WeakPolarHBondContact O-CD2 3.32Å; F177-Y181 PolarHBondContact O-N 3.47Å; F177-L194 HydrophobicContact CB-CD2 3.78Å; F177-L194 HydrophobicContact CD1-CD2 3.59Å; F177-L194 HydrophobicContact CE1-CD2 4.36Å; F177-L194 HydrophobicContact CG-CD2 3.69Å
178	S	98.1	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.1	-40.8	171.7	67.9	0	0	0	0	111.9	A174 L175 F180 Y181 Y182 A191 W231	A174-S178 VanDerWaalsContact O-CB 3.27Å; A174-S178 WeakPolarHBondContact O-CB 3.39Å; A174-S178 PolarHBondContact O-N 3.08Å; A174-S178 PolarHBondContact O-OG 3.28Å; A174-S178 VanDerWaalsContact O-OG 3.11Å; L175-S178 PolarHBondContact O-N 3.39Å; L175-S178 VanDerWaalsContact O-N 3.14Å; L175-S178 PolarHBondContact O-OG 2.89Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 2.93Å; S178-Y181 PolarHBondContact O-N 2.94Å; S178-Y181 VanDerWaalsContact O-N 3.17Å; S178-Y182 PolarHBondContact O-N 3.5Å; S178-A191 WeakPolarHBondContact O-CB 3.33Å; S178-W231 VanDerWaalsContact OG-CH2 3.32Å; S178-W231 WeakPolarHBondContact OG-CH2 3.42Å
179	V	96.8	Very high	96.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-43.6	172.2	177	0	0	0	0	110.9	L175 N176 Y181 Y182 E183 W231 I253 D255	L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 3.01Å; N176-V179 PolarHBondContact O-N 3.42Å; V179-Y181 PolarHBondContact O-N 3.4Å; V179-Y182 PolarHBondContact O-N 3.19Å; V179-E183 HydrophobicContact CG1-CG 4.01Å; V179-E183 VanDerWaalsContact CG1-OE2 3.26Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.45Å; V179-E183 WeakPolarHBondContact O-CB 3.31Å; V179-E183 PolarHBondContact O-N 3.3Å; V179-W231 HydrophobicContact CG2-CH2 4.25Å; V179-W231 HydrophobicContact CG2-CZ2 4.1Å; V179-I253 HydrophobicContact CB-CG2 4.39Å; V179-I253 HydrophobicContact CG1-CG2 3.98Å; V179-I253 HydrophobicContact CG2-CG2 3.66Å; V179-D255 HydrophobicContact CG2-CB 4.41Å
180	F	98	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.7	-46.4	173.5	169.7	-100.2	0	0	0	113	R130 A145 S148 L149 Y152 N176 F177 S178 Y182 I184 L185	R130-F180 HydrophobicContact CB-CD2 4.28Å; R130-F180 HydrophobicContact CG-CD2 4.23Å; A145-F180 HydrophobicContact CB-CE2 4.48Å; A145-F180 WeakPolarHBondContact O-CZ 3.1Å; S148-F180 WeakPolarHBondContact OG-CD2 3.48Å; S148-F180 WeakPolarHBondContact OG-CE2 3.31Å; L149-F180 HydrophobicContact CB-CE1 3.98Å; L149-F180 HydrophobicContact CB-CZ 3.94Å; L149-F180 HydrophobicContact CD1-CE1 4.01Å; Y152-F180 HydrophobicContact CD2-CB 4.19Å; Y152-F180 HydrophobicContact CD2-CD1 4.21Å; Y152-F180 HydrophobicContact CD2-CG 4.06Å; Y152-F180 HydrophobicContact CE2-CB 3.64Å; Y152-F180 HydrophobicContact CE2-CD1 4.41Å; Y152-F180 HydrophobicContact CE2-CD2 4.15Å; Y152-F180 AromaticContact CE2-CG 3.81Å; Y152-F180 HydrophobicContact CE2-CG 3.81Å; N176-F180 PolarHBondContact O-N 2.97Å; F177-F180 HydrophobicContact CD2-CB 4.32Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.42Å; F177-F180 AromaticContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CD1 3.74Å; F177-F180 HydrophobicContact CE2-CE1 4.16Å; F177-F180 WeakPolarHBondContact O-CB 3.49Å; F177-F180 PolarHBondContact O-N 3.37Å; S178-F180 VanDerWaalsContact C-N 3.33Å; S178-F180 PolarHBondContact O-N 2.93Å; F180-Y182 VanDerWaalsContact C-N 3.27Å; F180-Y182 PolarHBondContact O-N 3.33Å; F180-I184 HydrophobicContact CD2-CB 3.71Å; F180-I184 HydrophobicContact CD2-CG1 3.75Å; F180-I184 HydrophobicContact CD2-CG2 4.15Å; F180-I184 HydrophobicContact CE2-CB 3.73Å; F180-I184 HydrophobicContact CE2-CG1 4.15Å; F180-I184 HydrophobicContact CE2-CG2 3.66Å; F180-I184 HydrophobicContact CZ-CG2 4.44Å; F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 PolarHBondContact O-N 3.48Å; F180-L185 HydrophobicContact CD1-CD1 4.2Å; F180-L185 HydrophobicContact CD1-CG 4.32Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.33Å; F180-L185 HydrophobicContact CE1-CG 3.57Å; F180-L185 HydrophobicContact CE2-CG 4.43Å; F180-L185 HydrophobicContact CZ-CD1 3.8Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; F180-L185 HydrophobicContact CZ-CG 3.63Å; F180-L185 PolarHBondContact O-N 2.95Å
181	Y	98.2	Very high	96.8	Very high	28 Å²	28	26.5 Å²	26.5	11%	0.11	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-40.3	177.6	-84.8	-60.2	0	0	0	112	L149 F177 S178 V179 L185 N186 S187 R190 L194	L149-Y181 HydrophobicContact CD1-CE1 4.44Å; F177-Y181 HydrophobicContact CD1-CE2 4.27Å; F177-Y181 AromaticContact CD2-CD2 3.96Å; F177-Y181 HydrophobicContact CD2-CD2 3.96Å; F177-Y181 AromaticContact CD2-CE2 3.69Å; F177-Y181 HydrophobicContact CD2-CE2 3.69Å; F177-Y181 AromaticContact CE1-CE2 3.96Å; F177-Y181 HydrophobicContact CE1-CE2 3.96Å; F177-Y181 AromaticContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CD2 3.98Å; F177-Y181 HydrophobicContact CE2-CE1 4.41Å; F177-Y181 AromaticContact CE2-CE2 3.32Å; F177-Y181 HydrophobicContact CE2-CE2 3.32Å; F177-Y181 AromaticContact CE2-CZ 3.57Å; F177-Y181 HydrophobicContact CG-CD2 4.46Å; F177-Y181 HydrophobicContact CG-CE2 4.15Å; F177-Y181 AromaticContact CZ-CE2 3.47Å; F177-Y181 HydrophobicContact CZ-CE2 3.47Å; F177-Y181 VanDerWaalsContact CZ-CE2 3.47Å; F177-Y181 AromaticContact CZ-CZ 3.61Å; F177-Y181 VanDerWaalsContact CZ-OH 3.27Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.44Å; F177-Y181 VanDerWaalsContact O-CD2 3.25Å; F177-Y181 WeakPolarHBondContact O-CD2 3.32Å; F177-Y181 PolarHBondContact O-N 3.47Å; S178-Y181 PolarHBondContact O-N 2.94Å; S178-Y181 VanDerWaalsContact O-N 3.17Å; V179-Y181 PolarHBondContact O-N 3.4Å; Y181-L185 HydrophobicContact CD1-CB 4.46Å; Y181-L185 HydrophobicContact CD1-CD1 3.71Å; Y181-L185 HydrophobicContact CE1-CD1 3.76Å; Y181-L185 CarbonylContact O-C 3.53Å; Y181-N186 PolarHBondContact O-N 3.1Å; Y181-S187 PolarHBondContact O-N 2.76Å; Y181-R190 HydrophobicContact CD1-CB 3.81Å; Y181-R190 HydrophobicContact CD2-CB 4.39Å; Y181-R190 HydrophobicContact CE1-CB 4.24Å; Y181-R190 HydrophobicContact CG-CB 3.91Å; Y181-L194 HydrophobicContact CD2-CD2 4Å; Y181-L194 HydrophobicContact CE2-CD2 3.99Å
182	Y	96.7	Very high	96.8	Very high	13 Å²	13	27.3 Å²	27.3	5%	0.051	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-59.6	179.1	-175.1	-83.4	0	0	0	111.3	S178 V179 F180 N186 P188 W231 D234 K250 I253	S178-Y182 PolarHBondContact O-N 3.5Å; V179-Y182 PolarHBondContact O-N 3.19Å; F180-Y182 VanDerWaalsContact C-N 3.27Å; F180-Y182 PolarHBondContact O-N 3.33Å; Y182-N186 WeakPolarHBondContact O-CA 3.26Å; Y182-N186 PolarHBondContact O-N 3.24Å; Y182-P188 HydrophobicContact CD2-CB 3.89Å; Y182-P188 HydrophobicContact CE2-CB 4.11Å; Y182-W231 AromaticContact CD1-NE1 3.76Å; Y182-W231 HydrophobicContact CD2-CB 4.06Å; Y182-W231 AromaticContact CD2-CD1 3.26Å; Y182-W231 AromaticContact CD2-CD2 3.86Å; Y182-W231 HydrophobicContact CD2-CD2 3.86Å; Y182-W231 AromaticContact CD2-CE2 3.88Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.51Å; Y182-W231 HydrophobicContact CE2-CB 3.93Å; Y182-W231 AromaticContact CE2-CD1 3.13Å; Y182-W231 HydrophobicContact CE2-CD2 4.43Å; Y182-W231 AromaticContact CE2-CG 3.57Å; Y182-W231 HydrophobicContact CE2-CG 3.57Å; Y182-W231 AromaticContact CE2-NE1 3.75Å; Y182-W231 AromaticContact CG-CD1 3.79Å; Y182-W231 HydrophobicContact CG-CD2 4.26Å; Y182-W231 AromaticContact CG-CE2 3.82Å; Y182-W231 HydrophobicContact CG-CG 4.21Å; Y182-W231 HydrophobicContact CG-CZ2 4.4Å; Y182-W231 AromaticContact CG-NE1 3.51Å; Y182-W231 AromaticContact CZ-CD1 3.58Å; Y182-W231 AromaticContact CZ-NE1 4Å; Y182-D234 PolarHBondContact OH-OD2 2.79Å; Y182-K250 PolarHBondContact OH-NZ 2.99Å; Y182-I253 HydrophobicContact CD1-CD1 3.27Å; Y182-I253 HydrophobicContact CE1-CD1 3.37Å; Y182-I253 HydrophobicContact CG-CD1 4.21Å
183	E	94.7	Very high	96.8	Very high	69 Å²	69	34.4 Å²	34.4	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-77.4	-38.6	-169.2	-65.5	-172.7	144.1	0	0	113.9	R130 V179 I253	R130-E183 IonicContact NH1-OE2 3.89Å; V179-E183 HydrophobicContact CG1-CG 4.01Å; V179-E183 VanDerWaalsContact CG1-OE2 3.26Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.45Å; V179-E183 WeakPolarHBondContact O-CB 3.31Å; V179-E183 PolarHBondContact O-N 3.3Å; E183-I253 HydrophobicContact CG-CD1 3.7Å
184	I	96.8	Very high	96.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.041	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-42.8	-171.5	-54.4	-53.6	0	0	0	111.9	R130 A133 E134 R141 A145 F180	R130-I184 HydrophobicContact CG-CD1 4.33Å; R130-I184 HydrophobicContact CG-CG1 3.85Å; A133-I184 HydrophobicContact CB-CD1 4.14Å; A133-I184 HydrophobicContact CB-CG1 4.45Å; A133-I184 HydrophobicContact CB-CG2 3.8Å; E134-I184 HydrophobicContact CG-CD1 4.13Å; R141-I184 PolarHBondContact NH2-O 3.49Å; A145-I184 HydrophobicContact CB-CG2 3.75Å; F180-I184 HydrophobicContact CD2-CB 3.71Å; F180-I184 HydrophobicContact CD2-CG1 3.75Å; F180-I184 HydrophobicContact CD2-CG2 4.15Å; F180-I184 HydrophobicContact CE2-CB 3.73Å; F180-I184 HydrophobicContact CE2-CG1 4.15Å; F180-I184 HydrophobicContact CE2-CG2 3.66Å; F180-I184 HydrophobicContact CZ-CG2 4.44Å; F180-I184 WeakPolarHBondContact O-CB 3.43Å; F180-I184 PolarHBondContact O-N 3.48Å
185	L	96.6	Very high	96.8	Very high	54 Å²	54	35.7 Å²	35.7	28%	0.283	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-2	-178.9	-63.3	-170.7	0	0	0	114	F180 Y181 S187	F180-L185 HydrophobicContact CD1-CD1 4.2Å; F180-L185 HydrophobicContact CD1-CG 4.32Å; F180-L185 HydrophobicContact CE1-CD1 3.34Å; F180-L185 HydrophobicContact CE1-CD2 4.33Å; F180-L185 HydrophobicContact CE1-CG 3.57Å; F180-L185 HydrophobicContact CE2-CG 4.43Å; F180-L185 HydrophobicContact CZ-CD1 3.8Å; F180-L185 HydrophobicContact CZ-CD2 3.94Å; F180-L185 HydrophobicContact CZ-CG 3.63Å; F180-L185 PolarHBondContact O-N 2.95Å; Y181-L185 HydrophobicContact CD1-CB 4.46Å; Y181-L185 HydrophobicContact CD1-CD1 3.71Å; Y181-L185 HydrophobicContact CE1-CD1 3.76Å; Y181-L185 CarbonylContact O-C 3.53Å; L185-S187 PolarHBondContact O-N 2.59Å; L185-S187 VanDerWaalsContact O-N 3.14Å; L185-S187 PolarHBondContact O-OG 3.17Å
186	N	94.8	Very high	96.8	Very high	123 Å²	123	41.4 Å²	41.4	66%	0.658	19%	0.194	S	C	*	.			trans	46.6	44.9	-178.1	-163.7	45.5	0	0	0	112	Y181 Y182 P188	Y181-N186 PolarHBondContact O-N 3.1Å; Y182-N186 WeakPolarHBondContact O-CA 3.26Å; Y182-N186 PolarHBondContact O-N 3.24Å; N186-P188 VanDerWaalsContact C-CD 3.42Å; N186-P188 WeakPolarHBondContact O-CD 3.41Å
187	S	95.9	Very high	96.8	Very high	23 Å²	23	43.6 Å²	43.6	16%	0.161	21%	0.212	C	C	.	.			trans	-123.3	67	-174.1	-62	0	0	0	0	110	Y181 L185 D189 R190 A191	Y181-S187 PolarHBondContact O-N 2.76Å; L185-S187 PolarHBondContact O-N 2.59Å; L185-S187 VanDerWaalsContact O-N 3.14Å; L185-S187 PolarHBondContact O-OG 3.17Å; S187-D189 PolarHBondContact O-N 3.41Å; S187-R190 PolarHBondContact O-N 3.1Å; S187-A191 PolarHBondContact O-N 2.91Å
188	P	94.4	Very high	96.8	Very high	24 Å²	24	44 Å²	44	16%	0.156	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-32	-176.1	25.8	-35.4	0	0	0	112.3	Y182 N186 R190 A191 C192 M235	Y182-P188 HydrophobicContact CD2-CB 3.89Å; Y182-P188 HydrophobicContact CE2-CB 4.11Å; N186-P188 VanDerWaalsContact C-CD 3.42Å; N186-P188 WeakPolarHBondContact O-CD 3.41Å; P188-R190 VanDerWaalsContact C-N 3.28Å; P188-R190 PolarHBondContact O-N 3.23Å; P188-A191 PolarHBondContact O-N 2.84Å; P188-C192 WeakPolarHBondContact O-CB 3.2Å; P188-C192 PolarHBondContact O-N 2.94Å; P188-C192 PolarHBondContact O-SG 3.16Å; P188-C192 VanDerWaalsContact O-SG 3.36Å; P188-M235 HydrophobicContact CB-CG 4.02Å; P188-M235 HydrophobicContact CB-SD 3.9Å; P188-M235 HydrophobicContact CG-CG 4.22Å; P188-M235 HydrophobicContact CG-SD 4.36Å
189	D	94.8	Very high	96.8	Very high	65 Å²	65	46 Å²	46	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-57.9	-38.8	173.5	66.2	-58.7	0	0	0	112.8	S187 R193	S187-D189 PolarHBondContact O-N 3.41Å; D189-R193 WeakPolarHBondContact O-CB 3.46Å; D189-R193 WeakPolarHBondContact O-CG 3.47Å; D189-R193 PolarHBondContact O-N 3.49Å; D189-R193 PolarHBondContact O-NE 2.85Å; D189-R193 VanDerWaalsContact O-NE 3.09Å; D189-R193 IonicContact OD2-CZ 3.07Å; D189-R193 IonicContact OD2-NH2 2.85Å; D189-R193 PolarHBondContact OD2-NH2 3.31Å
190	R	96.8	Very high	96.8	Very high	121 Å²	121	49.5 Å²	49.5	46%	0.457	24%	0.244	S	C	.	.	H	α-helix	trans	-78.9	-40.1	177.6	-65.9	-173.6	179.2	-179.7	-1.4	111.3	Y181 S187 P188 R193 L194	Y181-R190 HydrophobicContact CD1-CB 3.81Å; Y181-R190 HydrophobicContact CD2-CB 4.39Å; Y181-R190 HydrophobicContact CE1-CB 4.24Å; Y181-R190 HydrophobicContact CG-CB 3.91Å; S187-R190 PolarHBondContact O-N 3.1Å; P188-R190 VanDerWaalsContact C-N 3.28Å; P188-R190 PolarHBondContact O-N 3.23Å; R190-R193 PolarHBondContact O-N 3.14Å; R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 PolarHBondContact O-N 3.27Å
191	A	96.5	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.1	-52.9	175.7	0	0	0	0	0	110.9	S178 S187 P188 R193 L194 A195 W231	S178-A191 WeakPolarHBondContact O-CB 3.33Å; S187-A191 PolarHBondContact O-N 2.91Å; P188-A191 PolarHBondContact O-N 2.84Å; A191-R193 PolarHBondContact O-N 3.26Å; A191-L194 PolarHBondContact O-N 3.4Å; A191-A195 WeakPolarHBondContact O-CB 3.34Å; A191-A195 PolarHBondContact O-N 2.99Å; A191-W231 HydrophobicContact CB-CE3 3.99Å; A191-W231 HydrophobicContact CB-CH2 4.4Å; A191-W231 HydrophobicContact CB-CZ3 3.91Å
192	C	97.1	Very high	96.7	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.128	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-41.9	179	-68.9	0	0	0	0	112.3	P188 L194 K196 L228	P188-C192 WeakPolarHBondContact O-CB 3.2Å; P188-C192 PolarHBondContact O-N 2.94Å; P188-C192 PolarHBondContact O-SG 3.16Å; P188-C192 VanDerWaalsContact O-SG 3.36Å; C192-L194 PolarHBondContact O-N 3.24Å; C192-K196 WeakPolarHBondContact O-CB 3.46Å; C192-K196 PolarHBondContact O-N 3.47Å; C192-L228 HydrophobicContact CB-CD2 4.04Å; C192-L228 WeakPolarHBondContact O-CD2 3.49Å
193	R	97.6	Very high	96.7	Very high	153 Å²	153	55.4 Å²	55.4	58%	0.577	28%	0.278	S	S	*	.	H	α-helix	trans	-60.9	-44.6	176.6	-87.1	-176.1	-92.1	139.2	-15.5	112.5	D189 R190 A191 A197	D189-R193 WeakPolarHBondContact O-CB 3.46Å; D189-R193 WeakPolarHBondContact O-CG 3.47Å; D189-R193 PolarHBondContact O-N 3.49Å; D189-R193 PolarHBondContact O-NE 2.85Å; D189-R193 VanDerWaalsContact O-NE 3.09Å; D189-R193 IonicContact OD2-CZ 3.07Å; D189-R193 IonicContact OD2-NH2 2.85Å; D189-R193 PolarHBondContact OD2-NH2 3.31Å; R190-R193 PolarHBondContact O-N 3.14Å; A191-R193 PolarHBondContact O-N 3.26Å; R193-A197 VanDerWaalsContact O-CB 3.32Å; R193-A197 WeakPolarHBondContact O-CB 3.47Å; R193-A197 PolarHBondContact O-N 3.48Å
194	L	98	Very high	96.7	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-50.2	-180	179.6	62.6	0	0	0	111.6	F177 Y181 R190 A191 C192 K196 A197 A198	F177-L194 HydrophobicContact CB-CD2 3.78Å; F177-L194 HydrophobicContact CD1-CD2 3.59Å; F177-L194 HydrophobicContact CE1-CD2 4.36Å; F177-L194 HydrophobicContact CG-CD2 3.69Å; Y181-L194 HydrophobicContact CD2-CD2 4Å; Y181-L194 HydrophobicContact CE2-CD2 3.99Å; R190-L194 WeakPolarHBondContact O-CB 3.48Å; R190-L194 PolarHBondContact O-N 3.27Å; A191-L194 PolarHBondContact O-N 3.4Å; C192-L194 PolarHBondContact O-N 3.24Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.41Å; L194-A197 PolarHBondContact O-N 2.91Å; L194-A198 PolarHBondContact O-N 3.43Å; L194-A198 VanDerWaalsContact O-N 3.07Å
195	A	97.3	Very high	96.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-41.9	-179.2	0	0	0	0	0	111.7	A191 A198 F199 L224 L228 W231	A191-A195 WeakPolarHBondContact O-CB 3.34Å; A191-A195 PolarHBondContact O-N 2.99Å; A195-A198 PolarHBondContact O-N 2.97Å; A195-F199 WeakPolarHBondContact O-CB 3.25Å; A195-F199 PolarHBondContact O-N 3.22Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A195-L228 HydrophobicContact CB-CD1 4.2Å; A195-L228 HydrophobicContact CB-CD2 3.85Å; A195-L228 HydrophobicContact CB-CG 3.84Å; A195-W231 HydrophobicContact CB-CZ3 4.1Å
196	K	97.5	Very high	96.4	Very high	119 Å²	119	59 Å²	59	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-46	177.7	-176.4	174.4	-178.7	178	0	112.2	C192 L194 A198 F199 D200 L228	C192-K196 WeakPolarHBondContact O-CB 3.46Å; C192-K196 PolarHBondContact O-N 3.47Å; L194-K196 VanDerWaalsContact C-N 3.34Å; L194-K196 PolarHBondContact O-N 3.41Å; K196-A198 VanDerWaalsContact C-N 3.33Å; K196-A198 PolarHBondContact O-N 2.94Å; K196-F199 PolarHBondContact O-N 3.32Å; K196-D200 WeakPolarHBondContact CE-OD2 3.3Å; K196-D200 WeakPolarHBondContact CG-OD2 3.36Å; K196-D200 WeakPolarHBondContact O-CB 3.29Å; K196-D200 VanDerWaalsContact O-CG 3.29Å; K196-D200 PolarHBondContact O-N 3.14Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.15Å
197	A	98.1	Very high	96.2	Very high	46 Å²	46	61.2 Å²	61.2	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-45.8	177.9	0	0	0	0	0	111.5	R193 L194 F199 D200 D201	R193-A197 VanDerWaalsContact O-CB 3.32Å; R193-A197 WeakPolarHBondContact O-CB 3.47Å; R193-A197 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 2.91Å; A197-F199 PolarHBondContact O-N 2.96Å; A197-D200 PolarHBondContact O-N 3.01Å; A197-D201 WeakPolarHBondContact O-CB 3.35Å; A197-D201 PolarHBondContact O-N 3.37Å
198	A	98	Very high	95.8	Very high	17 Å²	17	65 Å²	65	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-40	177.5	0	0	0	0	0	112.8	A174 L194 A195 K196 A202 L224	A174-A198 HydrophobicContact CB-CB 3.38Å; L194-A198 PolarHBondContact O-N 3.43Å; L194-A198 VanDerWaalsContact O-N 3.07Å; A195-A198 PolarHBondContact O-N 2.97Å; K196-A198 VanDerWaalsContact C-N 3.33Å; K196-A198 PolarHBondContact O-N 2.94Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.47Å; A198-A202 PolarHBondContact O-N 3.43Å; A198-A202 VanDerWaalsContact O-N 3.08Å; A198-L224 HydrophobicContact CB-CD1 4.42Å
199	F	97.5	Very high	95.5	Very high	40 Å²	40	65.4 Å²	65.4	18%	0.175	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-46.6	177.2	-174.9	-97.3	0	0	0	112	A195 K196 A197 A202 I203 M221 L224 R225	A195-F199 WeakPolarHBondContact O-CB 3.25Å; A195-F199 PolarHBondContact O-N 3.22Å; K196-F199 PolarHBondContact O-N 3.32Å; A197-F199 PolarHBondContact O-N 2.96Å; F199-A202 PolarHBondContact O-N 3.38Å; F199-I203 HydrophobicContact CD1-CD1 3.64Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.09Å; F199-I203 HydrophobicContact CE2-CD1 4.32Å; F199-I203 HydrophobicContact CG-CD1 4.48Å; F199-I203 HydrophobicContact CZ-CD1 3.49Å; F199-I203 VanDerWaalsContact CZ-CD1 3.49Å; F199-I203 HydrophobicContact CZ-CG1 4.29Å; F199-I203 WeakPolarHBondContact O-CB 3.33Å; F199-I203 WeakPolarHBondContact O-CG1 3.4Å; F199-I203 PolarHBondContact O-N 3.35Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.47Å; F199-M221 WeakPolarHBondContact CD2-O 3.4Å; F199-M221 HydrophobicContact CE2-CB 4.08Å; F199-M221 HydrophobicContact CE2-CE 4.43Å; F199-M221 VanDerWaalsContact CE2-O 3.27Å; F199-M221 WeakPolarHBondContact CE2-O 3.26Å; F199-L224 HydrophobicContact CD2-CB 4.42Å; F199-R225 HydrophobicContact CD2-CB 4.39Å; F199-R225 HydrophobicContact CE2-CB 3.85Å; F199-R225 HydrophobicContact CZ-CB 4.16Å; F199-R225 HydrophobicContact CZ-CG 4.32Å
200	D	97.8	Very high	95.1	Very high	76 Å²	76	65.1 Å²	65.1	41%	0.406	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-44.1	179.8	-70.1	-16.6	0	0	0	111.2	K196 A197 A202 I203 A204	K196-D200 WeakPolarHBondContact CE-OD2 3.3Å; K196-D200 WeakPolarHBondContact CG-OD2 3.36Å; K196-D200 WeakPolarHBondContact O-CB 3.29Å; K196-D200 VanDerWaalsContact O-CG 3.29Å; K196-D200 PolarHBondContact O-N 3.14Å; A197-D200 PolarHBondContact O-N 3.01Å; D200-A202 PolarHBondContact O-N 3.05Å; D200-I203 PolarHBondContact O-N 3.45Å; D200-A204 PolarHBondContact O-N 3.12Å; D200-A204 VanDerWaalsContact O-N 3.11Å
201	D	97.2	Very high	94.5	Very high	77 Å²	77	68.3 Å²	68.3	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.4	-71.6	-12.3	0	0	0	111.4	P165 A197 A204	P165-D201 HydrophobicContact CB-CB 3.92Å; P165-D201 HydrophobicContact CG-CB 4.44Å; A197-D201 WeakPolarHBondContact O-CB 3.35Å; A197-D201 PolarHBondContact O-N 3.37Å; D201-A204 PolarHBondContact O-N 2.97Å
202	A	96.5	Very high	93.9	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-72	-36.4	179.1	0	0	0	0	0	112.8	T166 L171 A198 F199 D200 A204 E205 L206 M221	T166-A202 HydrophobicContact CG2-CB 4.32Å; T166-A202 WeakPolarHBondContact CG2-O 3.41Å; L171-A202 HydrophobicContact CD2-CB 3.73Å; A198-A202 VanDerWaalsContact O-CB 3.28Å; A198-A202 WeakPolarHBondContact O-CB 3.47Å; A198-A202 PolarHBondContact O-N 3.43Å; A198-A202 VanDerWaalsContact O-N 3.08Å; F199-A202 PolarHBondContact O-N 3.38Å; D200-A202 PolarHBondContact O-N 3.05Å; A202-A204 VanDerWaalsContact C-N 3.28Å; A202-A204 PolarHBondContact O-N 3.24Å; A202-E205 PolarHBondContact O-N 3.42Å; A202-L206 WeakPolarHBondContact O-CA 3.39Å; A202-L206 WeakPolarHBondContact O-CB 3.34Å; A202-L206 PolarHBondContact O-N 3.13Å; A202-M221 HydrophobicContact CB-CE 3.86Å; A202-M221 HydrophobicContact CB-CG 4.33Å; A202-M221 HydrophobicContact CB-SD 3.89Å
203	I	95.9	Very high	93.5	Very high	87 Å²	87	77.5 Å²	77.5	45%	0.446	41%	0.411	S	S	.	.	H	α-helix	trans	-59.2	-42.4	172.9	-80.9	-174.1	0	0	0	111	F199 D200 E205 L206 M221	F199-I203 HydrophobicContact CD1-CD1 3.64Å; F199-I203 HydrophobicContact CD1-CG1 4.31Å; F199-I203 HydrophobicContact CE1-CD1 3.09Å; F199-I203 HydrophobicContact CE1-CG1 4.09Å; F199-I203 HydrophobicContact CE2-CD1 4.32Å; F199-I203 HydrophobicContact CG-CD1 4.48Å; F199-I203 HydrophobicContact CZ-CD1 3.49Å; F199-I203 VanDerWaalsContact CZ-CD1 3.49Å; F199-I203 HydrophobicContact CZ-CG1 4.29Å; F199-I203 WeakPolarHBondContact O-CB 3.33Å; F199-I203 WeakPolarHBondContact O-CG1 3.4Å; F199-I203 PolarHBondContact O-N 3.35Å; D200-I203 PolarHBondContact O-N 3.45Å; I203-E205 PolarHBondContact O-N 3Å; I203-L206 PolarHBondContact O-N 3.49Å; I203-M221 HydrophobicContact CB-CE 4.42Å; I203-M221 HydrophobicContact CG1-CE 3.5Å; I203-M221 VanDerWaalsContact CG1-CE 3.5Å
204	A	95.9	Very high	93.1	Very high	85 Å²	85	76 Å²	76	70%	0.702	41%	0.406	S	S	*	.	H	α-helix	trans	-62.7	-24.6	-177.2	0	0	0	0	0	113.3	D200 D201 A202	D200-A204 PolarHBondContact O-N 3.12Å; D200-A204 VanDerWaalsContact O-N 3.11Å; D201-A204 PolarHBondContact O-N 2.97Å; A202-A204 VanDerWaalsContact C-N 3.28Å; A202-A204 PolarHBondContact O-N 3.24Å
205	E	95	Very high	92.8	Very high	83 Å²	83	81.2 Å²	81.2	39%	0.388	43%	0.427	S	S	.	.	H	α-helix	trans	-115.8	6.2	-178	-67	-173.5	-157.8	0	0	113.4	P165 T166 A202 I203 D207 T208	P165-E205 WeakPolarHBondContact CD-OE2 3.41Å; T166-E205 HydrophobicContact CG2-CB 3.76Å; A202-E205 PolarHBondContact O-N 3.42Å; I203-E205 PolarHBondContact O-N 3Å; E205-D207 VanDerWaalsContact C-N 3.25Å; E205-D207 PolarHBondContact O-N 3.34Å; E205-T208 WeakPolarHBondContact O-CB 3.27Å; E205-T208 PolarHBondContact O-N 3.23Å; E205-T208 PolarHBondContact O-OG1 3.02Å
206	L	91.7	Very high	92.5	Very high	38 Å²	38	82.3 Å²	82.3	20%	0.199	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-60	-34.6	-171.3	-171.4	62.5	0	0	0	113.1	A202 I203 T208 L209 T218 M221	A202-L206 WeakPolarHBondContact O-CA 3.39Å; A202-L206 WeakPolarHBondContact O-CB 3.34Å; A202-L206 PolarHBondContact O-N 3.13Å; I203-L206 PolarHBondContact O-N 3.49Å; L206-T208 PolarHBondContact O-N 3.47Å; L206-T208 VanDerWaalsContact O-N 3.14Å; L206-L209 VanDerWaalsContact O-CB 3.28Å; L206-L209 WeakPolarHBondContact O-CB 3.4Å; L206-L209 PolarHBondContact O-N 3.46Å; L206-T218 HydrophobicContact CD1-CG2 4.18Å; L206-M221 HydrophobicContact CD1-CE 4.41Å; L206-M221 HydrophobicContact CD1-SD 3.88Å; L206-M221 HydrophobicContact CD2-CE 4.37Å
207	D	90.6	Very high	92.3	Very high	171 Å²	171	76.6 Å²	76.6	91%	0.914	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-65.6	-13.9	178.8	-69.1	-23.6	0	0	0	113.4	E205	E205-D207 VanDerWaalsContact C-N 3.25Å; E205-D207 PolarHBondContact O-N 3.34Å
208	T	87.2	Confident	92.2	Very high	103 Å²	103	76.4 Å²	76.4	63%	0.632	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-89.9	-6.8	-179.4	71.3	0	0	0	0	113.4	E205 L206	E205-T208 WeakPolarHBondContact O-CB 3.27Å; E205-T208 PolarHBondContact O-N 3.23Å; E205-T208 PolarHBondContact O-OG1 3.02Å; L206-T208 PolarHBondContact O-N 3.47Å; L206-T208 VanDerWaalsContact O-N 3.14Å
209	L	87.7	Confident	92	Very high	31 Å²	31	77.7 Å²	77.7	16%	0.162	41%	0.407	C	S	.	.			trans	-75.4	143.3	-168.7	-161.5	95.9	0	0	0	112.4	T166 L206 Y214	T166-L209 VanDerWaalsContact CB-CD1 3.42Å; T166-L209 HydrophobicContact CG2-CD1 4.39Å; T166-L209 WeakPolarHBondContact O-CD1 3.46Å; T166-L209 WeakPolarHBondContact OG1-CD1 3.41Å; L206-L209 VanDerWaalsContact O-CB 3.28Å; L206-L209 WeakPolarHBondContact O-CB 3.4Å; L206-L209 PolarHBondContact O-N 3.46Å; L209-Y214 HydrophobicContact CD2-CD2 3.8Å; L209-Y214 HydrophobicContact CD2-CG 4.14Å; L209-Y214 VanDerWaalsContact CD2-N 3.31Å
210	S	86.2	Confident	91.9	Very high	60 Å²	60	75.9 Å²	75.9	42%	0.42	40%	0.399	S	S	.	.			trans	-70.8	155.6	172.3	67.6	0	0	0	0	111.8	E212 S213 Y214	S210-E212 PolarHBondContact O-N 2.91Å; S210-S213 PolarHBondContact O-N 2.85Å; S210-S213 PolarHBondContact OG-N 3.3Å; S210-Y214 WeakPolarHBondContact O-CB 3.42Å; S210-Y214 PolarHBondContact O-N 2.96Å; S210-Y214 VanDerWaalsContact O-N 3.1Å
211	E	85.5	Confident	91.8	Very high	187 Å²	187	72.7 Å²	72.7	87%	0.874	38%	0.382	S	S	*	.	H	α-helix	trans	-59.3	-33.9	175.2	-169.5	175.8	-177.7	0	0	112.2	Y214	E211-Y214 PolarHBondContact O-N 3.36Å
212	E	84	Confident	91.8	Very high	178 Å²	178	73.6 Å²	73.6	83%	0.832	38%	0.383	S	S	*	.	H	α-helix	trans	-65	-41.5	179.9	-173.5	174.5	-168.7	0	0	112.6	S210	S210-E212 PolarHBondContact O-N 2.91Å
213	S	87.5	Confident	91.7	Very high	34 Å²	34	73.8 Å²	73.8	24%	0.238	38%	0.384	C	S	.	.	H	α-helix	trans	-88.3	-12.9	179.5	-55.8	0	0	0	0	113.6	S210 K215 D216 S217	S210-S213 PolarHBondContact O-N 2.85Å; S210-S213 PolarHBondContact OG-N 3.3Å; S213-K215 PolarHBondContact O-N 2.91Å; S213-D216 PolarHBondContact O-N 3.25Å; S213-S217 WeakPolarHBondContact O-CB 3.42Å; S213-S217 PolarHBondContact O-N 3.23Å; S213-S217 PolarHBondContact O-OG 2.89Å
214	Y	89.9	Confident	91.8	Very high	121 Å²	121	69.6 Å²	69.6	48%	0.475	36%	0.363	S	S	.	.	H	α-helix	trans	-57.1	-46.1	-173.1	-165.5	-87.7	0	0	0	114.2	L209 S210 E211 T218	L209-Y214 HydrophobicContact CD2-CD2 3.8Å; L209-Y214 HydrophobicContact CD2-CG 4.14Å; L209-Y214 VanDerWaalsContact CD2-N 3.31Å; S210-Y214 WeakPolarHBondContact O-CB 3.42Å; S210-Y214 PolarHBondContact O-N 2.96Å; S210-Y214 VanDerWaalsContact O-N 3.1Å; E211-Y214 PolarHBondContact O-N 3.36Å; Y214-T218 HydrophobicContact CD1-CG2 4.09Å; Y214-T218 HydrophobicContact CD2-CG2 4.44Å; Y214-T218 HydrophobicContact CE1-CG2 3.8Å; Y214-T218 HydrophobicContact CE2-CG2 4.18Å; Y214-T218 HydrophobicContact CG-CG2 4.4Å; Y214-T218 WeakPolarHBondContact O-CB 3.34Å; Y214-T218 VanDerWaalsContact O-CG2 3.27Å; Y214-T218 WeakPolarHBondContact O-CG2 3.47Å; Y214-T218 PolarHBondContact O-N 2.73Å; Y214-T218 VanDerWaalsContact O-N 3.09Å; Y214-T218 PolarHBondContact O-OG1 3.14Å
215	K	91.3	Very high	91.7	Very high	152 Å²	152	71.1 Å²	71.1	66%	0.661	35%	0.351	S	S	*	.	H	α-helix	trans	-62.4	-49.3	-179.5	-172.7	-173	171.1	-159.4	0	111.6	S213 T218 L219	S213-K215 PolarHBondContact O-N 2.91Å; K215-T218 PolarHBondContact O-OG1 3.16Å; K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 3.38Å; K215-L219 VanDerWaalsContact O-N 3.09Å
216	D	91.6	Very high	91.7	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-45.8	-174	-68.1	-4.6	0	0	0	111.4	P168 S213 T218 L219 I220 V261 S262	P168-D216 HydrophobicContact CB-CB 4.11Å; P168-D216 HydrophobicContact CG-CB 4.03Å; S213-D216 PolarHBondContact O-N 3.25Å; D216-T218 PolarHBondContact O-N 2.86Å; D216-L219 PolarHBondContact O-N 3.1Å; D216-I220 WeakPolarHBondContact O-CD1 3.11Å; D216-I220 VanDerWaalsContact O-CG1 3.3Å; D216-I220 WeakPolarHBondContact O-CG1 3.45Å; D216-I220 PolarHBondContact O-N 2.95Å; D216-V261 HydrophobicContact CB-CG1 4.1Å; D216-S262 PolarHBondContact OD2-OG 3.18Å
217	S	94.2	Very high	91.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-45.2	178.7	-63	0	0	0	0	112.2	T166 P168 S213 I220 M221	T166-S217 WeakPolarHBondContact O-CB 3.15Å; T166-S217 PolarHBondContact O-OG 3.47Å; P168-S217 WeakPolarHBondContact CD-OG 3.4Å; P168-S217 WeakPolarHBondContact CG-OG 3.05Å; S213-S217 WeakPolarHBondContact O-CB 3.42Å; S213-S217 PolarHBondContact O-N 3.23Å; S213-S217 PolarHBondContact O-OG 2.89Å; S217-I220 PolarHBondContact O-N 3.49Å; S217-M221 WeakPolarHBondContact O-CB 3.23Å; S217-M221 VanDerWaalsContact O-CG 3.22Å; S217-M221 WeakPolarHBondContact O-CG 3.41Å; S217-M221 PolarHBondContact O-N 3.46Å
218	T	94.6	Very high	92	Very high	41 Å²	41	60.9 Å²	60.9	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-35.2	-179.8	56	0	0	0	0	112.6	L206 Y214 K215 D216 M221 Q222	L206-T218 HydrophobicContact CD1-CG2 4.18Å; Y214-T218 HydrophobicContact CD1-CG2 4.09Å; Y214-T218 HydrophobicContact CD2-CG2 4.44Å; Y214-T218 HydrophobicContact CE1-CG2 3.8Å; Y214-T218 HydrophobicContact CE2-CG2 4.18Å; Y214-T218 HydrophobicContact CG-CG2 4.4Å; Y214-T218 WeakPolarHBondContact O-CB 3.34Å; Y214-T218 VanDerWaalsContact O-CG2 3.27Å; Y214-T218 WeakPolarHBondContact O-CG2 3.47Å; Y214-T218 PolarHBondContact O-N 2.73Å; Y214-T218 VanDerWaalsContact O-N 3.09Å; Y214-T218 PolarHBondContact O-OG1 3.14Å; K215-T218 PolarHBondContact O-OG1 3.16Å; D216-T218 PolarHBondContact O-N 2.86Å; T218-M221 PolarHBondContact O-N 3.29Å; T218-Q222 PolarHBondContact O-N 3.4Å
219	L	94.3	Very high	92.3	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.236	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-49.8	171.8	178.1	57.4	0	0	0	110.7	K215 D216 M221 Q222 L223 V261	K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 3.38Å; K215-L219 VanDerWaalsContact O-N 3.09Å; D216-L219 PolarHBondContact O-N 3.1Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 2.86Å; L219-Q222 WeakPolarHBondContact O-CB 3.36Å; L219-Q222 PolarHBondContact O-N 3.01Å; L219-Q222 VanDerWaalsContact O-N 3.15Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.83Å; L219-L223 VanDerWaalsContact O-N 3.1Å; L219-V261 HydrophobicContact CD2-CG2 3.91Å; L219-V261 HydrophobicContact CG-CG2 4.39Å
220	I	95.5	Very high	92.5	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-40.4	178.5	-59.6	157.8	0	0	0	111.7	P168 L171 L175 D216 S217 Q222 L223 L224 V261	P168-I220 HydrophobicContact CB-CD1 4Å; P168-I220 WeakPolarHBondContact O-CD1 3.38Å; L171-I220 HydrophobicContact CB-CB 4.12Å; L171-I220 HydrophobicContact CB-CD1 4.1Å; L171-I220 HydrophobicContact CB-CG2 3.67Å; L175-I220 HydrophobicContact CB-CG2 4.25Å; L175-I220 HydrophobicContact CD2-CG2 4.11Å; D216-I220 WeakPolarHBondContact O-CD1 3.11Å; D216-I220 VanDerWaalsContact O-CG1 3.3Å; D216-I220 WeakPolarHBondContact O-CG1 3.45Å; D216-I220 PolarHBondContact O-N 2.95Å; S217-I220 PolarHBondContact O-N 3.49Å; I220-Q222 VanDerWaalsContact C-N 3.27Å; I220-Q222 PolarHBondContact O-N 2.71Å; I220-L223 WeakPolarHBondContact O-CB 3.34Å; I220-L223 PolarHBondContact O-N 2.88Å; I220-L224 HydrophobicContact CG2-CD1 4.4Å; I220-L224 PolarHBondContact O-N 3.05Å; I220-V261 HydrophobicContact CD1-CG1 3.73Å; I220-V261 HydrophobicContact CG1-CG1 3.86Å; I220-V261 HydrophobicContact CG1-CG2 4.25Å
221	M	96.3	Very high	92.8	Very high	10 Å²	10	57.2 Å²	57.2	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-37.2	175.9	-72.4	172.3	73.1	0	0	112	L171 F199 A202 I203 L206 S217 T218 L219 L224 R225	L171-M221 HydrophobicContact CD1-CG 3.93Å; L171-M221 HydrophobicContact CD1-SD 4.38Å; L171-M221 HydrophobicContact CD2-CG 4.05Å; F199-M221 HydrophobicContact CD2-CB 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.47Å; F199-M221 WeakPolarHBondContact CD2-O 3.4Å; F199-M221 HydrophobicContact CE2-CB 4.08Å; F199-M221 HydrophobicContact CE2-CE 4.43Å; F199-M221 VanDerWaalsContact CE2-O 3.27Å; F199-M221 WeakPolarHBondContact CE2-O 3.26Å; A202-M221 HydrophobicContact CB-CE 3.86Å; A202-M221 HydrophobicContact CB-CG 4.33Å; A202-M221 HydrophobicContact CB-SD 3.89Å; I203-M221 HydrophobicContact CB-CE 4.42Å; I203-M221 HydrophobicContact CG1-CE 3.5Å; I203-M221 VanDerWaalsContact CG1-CE 3.5Å; L206-M221 HydrophobicContact CD1-CE 4.41Å; L206-M221 HydrophobicContact CD1-SD 3.88Å; L206-M221 HydrophobicContact CD2-CE 4.37Å; S217-M221 WeakPolarHBondContact O-CB 3.23Å; S217-M221 VanDerWaalsContact O-CG 3.22Å; S217-M221 WeakPolarHBondContact O-CG 3.41Å; S217-M221 PolarHBondContact O-N 3.46Å; T218-M221 PolarHBondContact O-N 3.29Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 2.86Å; M221-L224 PolarHBondContact O-N 3.2Å; M221-R225 PolarHBondContact O-N 3.13Å; M221-R225 VanDerWaalsContact O-N 3.09Å
222	Q	95.7	Very high	93	Very high	95 Å²	95	51.2 Å²	51.2	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-46.8	173	174.4	168.4	-3.9	0	0	111.4	T218 L219 I220 L224 R225 D226	T218-Q222 PolarHBondContact O-N 3.4Å; L219-Q222 WeakPolarHBondContact O-CB 3.36Å; L219-Q222 PolarHBondContact O-N 3.01Å; L219-Q222 VanDerWaalsContact O-N 3.15Å; I220-Q222 VanDerWaalsContact C-N 3.27Å; I220-Q222 PolarHBondContact O-N 2.71Å; Q222-L224 VanDerWaalsContact C-N 3.32Å; Q222-L224 PolarHBondContact O-N 3.02Å; Q222-R225 WeakPolarHBondContact O-CB 3.37Å; Q222-R225 PolarHBondContact O-N 2.97Å; Q222-R225 VanDerWaalsContact O-N 3.16Å; Q222-D226 WeakPolarHBondContact O-CB 3.38Å; Q222-D226 PolarHBondContact O-N 2.99Å
223	L	95.7	Very high	93.3	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-42.1	177.1	-57.4	172.2	0	0	0	112	L175 L219 I220 R225 D226 N227 Q254 Q259	L175-L223 HydrophobicContact CD1-CB 4.27Å; L175-L223 HydrophobicContact CD2-CB 3.59Å; L175-L223 HydrophobicContact CD2-CD1 3.61Å; L175-L223 HydrophobicContact CD2-CG 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.83Å; L219-L223 VanDerWaalsContact O-N 3.1Å; I220-L223 WeakPolarHBondContact O-CB 3.34Å; I220-L223 PolarHBondContact O-N 2.88Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.49Å; L223-D226 PolarHBondContact O-N 3.27Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.01Å; L223-Q254 HydrophobicContact CD2-CB 4.13Å; L223-Q259 HydrophobicContact CD1-CB 4.27Å; L223-Q259 HydrophobicContact CD1-CG 3.75Å; L223-Q259 HydrophobicContact CD2-CG 3.88Å; L223-Q259 HydrophobicContact CG-CG 4.45Å
224	L	96.5	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-46.4	174.7	-79.5	167.5	0	0	0	111.8	L171 L175 A195 A198 F199 I220 M221 Q222 L228	L171-L224 HydrophobicContact CD2-CD1 4Å; L175-L224 HydrophobicContact CB-CD2 3.93Å; L175-L224 HydrophobicContact CB-CG 4.2Å; L175-L224 HydrophobicContact CD1-CD2 3.99Å; L175-L224 HydrophobicContact CD1-CG 4.24Å; A195-L224 HydrophobicContact CB-CD2 3.77Å; A198-L224 HydrophobicContact CB-CD1 4.42Å; F199-L224 HydrophobicContact CD2-CB 4.42Å; I220-L224 HydrophobicContact CG2-CD1 4.4Å; I220-L224 PolarHBondContact O-N 3.05Å; M221-L224 PolarHBondContact O-N 3.2Å; Q222-L224 VanDerWaalsContact C-N 3.32Å; Q222-L224 PolarHBondContact O-N 3.02Å; L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.27Å; L224-L228 PolarHBondContact O-N 3.44Å
225	R	95.8	Very high	92.8	Very high	116 Å²	116	43.4 Å²	43.4	44%	0.438	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-41.6	178.7	-175.8	-162.6	66.5	-165.7	-3.6	112.1	F199 M221 Q222 L223 L228 T229	F199-R225 HydrophobicContact CD2-CB 4.39Å; F199-R225 HydrophobicContact CE2-CB 3.85Å; F199-R225 HydrophobicContact CZ-CB 4.16Å; F199-R225 HydrophobicContact CZ-CG 4.32Å; M221-R225 PolarHBondContact O-N 3.13Å; M221-R225 VanDerWaalsContact O-N 3.09Å; Q222-R225 WeakPolarHBondContact O-CB 3.37Å; Q222-R225 PolarHBondContact O-N 2.97Å; Q222-R225 VanDerWaalsContact O-N 3.16Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.49Å; R225-L228 PolarHBondContact O-N 3.47Å; R225-T229 PolarHBondContact O-N 3.38Å; R225-T229 PolarHBondContact O-OG1 2.96Å
226	D	95.1	Very high	92.4	Very high	50 Å²	50	41.7 Å²	41.7	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-67.2	-43.2	-178.1	-64.2	-5.8	0	0	0	109.6	Q222 L223 L228 T229 L230	Q222-D226 WeakPolarHBondContact O-CB 3.38Å; Q222-D226 PolarHBondContact O-N 2.99Å; L223-D226 PolarHBondContact O-N 3.27Å; D226-L228 PolarHBondContact O-N 3.5Å; D226-T229 WeakPolarHBondContact O-CB 3.44Å; D226-T229 PolarHBondContact O-N 3.3Å; D226-L230 PolarHBondContact O-N 2.95Å; D226-L230 VanDerWaalsContact O-N 3.09Å
227	N	93.8	Very high	91.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-42.8	171.7	-78.8	-5.7	0	0	0	113.3	L175 L223 T229 L230 W231 Q254	L175-N227 WeakPolarHBondContact CD1-ND2 3.46Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.01Å; N227-T229 PolarHBondContact O-N 3.31Å; N227-L230 PolarHBondContact O-N 2.78Å; N227-W231 HydrophobicContact CB-CD2 4.31Å; N227-W231 HydrophobicContact CB-CE3 4.29Å; N227-W231 HydrophobicContact CB-CH2 3.71Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.99Å; N227-W231 VanDerWaalsContact O-CD2 3.24Å; N227-W231 PolarHBondContact O-N 3.13Å; N227-Q254 PolarHBondContact ND2-O 3.42Å; N227-Q254 PolarHBondContact OD1-N 2.95Å
228	L	94.4	Very high	91.1	Very high	24 Å²	24	46.9 Å²	46.9	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-39	175.1	-81.7	167.5	0	0	0	112.2	C192 A195 K196 L224 R225 D226 T232	C192-L228 HydrophobicContact CB-CD2 4.04Å; C192-L228 WeakPolarHBondContact O-CD2 3.49Å; A195-L228 HydrophobicContact CB-CD1 4.2Å; A195-L228 HydrophobicContact CB-CD2 3.85Å; A195-L228 HydrophobicContact CB-CG 3.84Å; K196-L228 HydrophobicContact CB-CD1 4.22Å; K196-L228 HydrophobicContact CB-CD2 4.15Å; L224-L228 WeakPolarHBondContact O-CB 3.47Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.27Å; L224-L228 PolarHBondContact O-N 3.44Å; R225-L228 PolarHBondContact O-N 3.47Å; D226-L228 PolarHBondContact O-N 3.5Å; L228-T232 VanDerWaalsContact O-CB 3.25Å; L228-T232 WeakPolarHBondContact O-CB 3.46Å; L228-T232 PolarHBondContact O-N 2.97Å; L228-T232 PolarHBondContact O-OG1 3.24Å
229	T	93.8	Very high	90.3	Very high	92 Å²	92	52.5 Å²	52.5	56%	0.564	27%	0.273	S	S	*	.	H	α-helix	trans	-66.2	-47.6	178.9	-56.7	0	0	0	0	110.5	R225 D226 N227 S233	R225-T229 PolarHBondContact O-N 3.38Å; R225-T229 PolarHBondContact O-OG1 2.96Å; D226-T229 WeakPolarHBondContact O-CB 3.44Å; D226-T229 PolarHBondContact O-N 3.3Å; N227-T229 PolarHBondContact O-N 3.31Å; T229-S233 PolarHBondContact O-N 2.9Å; T229-S233 VanDerWaalsContact O-N 3.1Å
230	L	90.6	Very high	89.5	Confident	26 Å²	26	56.6 Å²	56.6	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-55.5	177.1	178.1	62.3	0	0	0	111.4	D226 N227 T232 S233 D234 E251 I253	D226-L230 PolarHBondContact O-N 2.95Å; D226-L230 VanDerWaalsContact O-N 3.09Å; N227-L230 PolarHBondContact O-N 2.78Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 3.31Å; L230-S233 WeakPolarHBondContact O-CB 3.29Å; L230-S233 PolarHBondContact O-N 3.39Å; L230-D234 PolarHBondContact O-N 2.87Å; L230-E251 HydrophobicContact CD1-CB 3.95Å; L230-E251 HydrophobicContact CD1-CG 4.41Å; L230-E251 HydrophobicContact CD2-CB 4.14Å; L230-I253 HydrophobicContact CD2-CG1 3.97Å
231	W	92.7	Very high	88.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.9	-33.5	-175.5	-57.3	-26.6	0	0	0	113.2	S178 V179 Y182 A191 A195 N227 S233 D234 M235 I253	S178-W231 VanDerWaalsContact OG-CH2 3.32Å; S178-W231 WeakPolarHBondContact OG-CH2 3.42Å; V179-W231 HydrophobicContact CG2-CH2 4.25Å; V179-W231 HydrophobicContact CG2-CZ2 4.1Å; Y182-W231 AromaticContact CD1-NE1 3.76Å; Y182-W231 HydrophobicContact CD2-CB 4.06Å; Y182-W231 AromaticContact CD2-CD1 3.26Å; Y182-W231 AromaticContact CD2-CD2 3.86Å; Y182-W231 HydrophobicContact CD2-CD2 3.86Å; Y182-W231 AromaticContact CD2-CE2 3.88Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.51Å; Y182-W231 HydrophobicContact CE2-CB 3.93Å; Y182-W231 AromaticContact CE2-CD1 3.13Å; Y182-W231 HydrophobicContact CE2-CD2 4.43Å; Y182-W231 AromaticContact CE2-CG 3.57Å; Y182-W231 HydrophobicContact CE2-CG 3.57Å; Y182-W231 AromaticContact CE2-NE1 3.75Å; Y182-W231 AromaticContact CG-CD1 3.79Å; Y182-W231 HydrophobicContact CG-CD2 4.26Å; Y182-W231 AromaticContact CG-CE2 3.82Å; Y182-W231 HydrophobicContact CG-CG 4.21Å; Y182-W231 HydrophobicContact CG-CZ2 4.4Å; Y182-W231 AromaticContact CG-NE1 3.51Å; Y182-W231 AromaticContact CZ-CD1 3.58Å; Y182-W231 AromaticContact CZ-NE1 4Å; A191-W231 HydrophobicContact CB-CE3 3.99Å; A191-W231 HydrophobicContact CB-CH2 4.4Å; A191-W231 HydrophobicContact CB-CZ3 3.91Å; A195-W231 HydrophobicContact CB-CZ3 4.1Å; N227-W231 HydrophobicContact CB-CD2 4.31Å; N227-W231 HydrophobicContact CB-CE3 4.29Å; N227-W231 HydrophobicContact CB-CH2 3.71Å; N227-W231 HydrophobicContact CB-CZ2 3.73Å; N227-W231 HydrophobicContact CB-CZ3 3.99Å; N227-W231 VanDerWaalsContact O-CD2 3.24Å; N227-W231 PolarHBondContact O-N 3.13Å; W231-S233 VanDerWaalsContact C-N 3.32Å; W231-D234 PolarHBondContact O-N 3.13Å; W231-M235 VanDerWaalsContact O-CG 3.26Å; W231-M235 WeakPolarHBondContact O-CG 3.41Å; W231-M235 PolarHBondContact O-N 2.96Å; W231-I253 HydrophobicContact CZ2-CG2 3.83Å
232	T	90.6	Very high	87.3	Confident	60 Å²	60	64.9 Å²	64.9	37%	0.368	35%	0.35	S	S	.	.	H	α-helix	trans	-68.7	-34.8	175.4	-56.7	0	0	0	0	111.3	L228 L230 Q236	L228-T232 VanDerWaalsContact O-CB 3.25Å; L228-T232 WeakPolarHBondContact O-CB 3.46Å; L228-T232 PolarHBondContact O-N 2.97Å; L228-T232 PolarHBondContact O-OG1 3.24Å; L230-T232 VanDerWaalsContact C-N 3.31Å; L230-T232 PolarHBondContact O-N 3.31Å; T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.44Å; T232-Q236 PolarHBondContact O-N 2.75Å
233	S	88.7	Confident	85.8	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-45.1	173.6	-172.6	0	0	0	0	111.5	T229 L230 W231 M235 Q236 A237	T229-S233 PolarHBondContact O-N 2.9Å; T229-S233 VanDerWaalsContact O-N 3.1Å; L230-S233 WeakPolarHBondContact O-CB 3.29Å; L230-S233 PolarHBondContact O-N 3.39Å; W231-S233 VanDerWaalsContact C-N 3.32Å; S233-M235 PolarHBondContact O-N 2.64Å; S233-Q236 PolarHBondContact O-N 2.94Å; S233-A237 PolarHBondContact O-N 3.19Å
234	D	84.4	Confident	83.9	Confident	42 Å²	42	68 Å²	68	23%	0.225	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-46.2	177.7	-66.9	-16.3	0	0	0	111.6	Y182 L230 W231 Q236 A237 E238	Y182-D234 PolarHBondContact OH-OD2 2.79Å; L230-D234 PolarHBondContact O-N 2.87Å; W231-D234 PolarHBondContact O-N 3.13Å; D234-Q236 VanDerWaalsContact C-N 3.3Å; D234-Q236 PolarHBondContact O-N 3.41Å; D234-A237 PolarHBondContact O-N 2.84Å; D234-A237 VanDerWaalsContact O-N 3.15Å; D234-E238 WeakPolarHBondContact O-CG 3.45Å; D234-E238 PolarHBondContact O-N 3.33Å
235	M	83.6	Confident	81.7	Confident	57 Å²	57	70 Å²	70	28%	0.281	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-39.5	177.6	-71.9	176.2	66.3	0	0	112.1	P188 W231 S233 E239	P188-M235 HydrophobicContact CB-CG 4.02Å; P188-M235 HydrophobicContact CB-SD 3.9Å; P188-M235 HydrophobicContact CG-CG 4.22Å; P188-M235 HydrophobicContact CG-SD 4.36Å; W231-M235 VanDerWaalsContact O-CG 3.26Å; W231-M235 WeakPolarHBondContact O-CG 3.41Å; W231-M235 PolarHBondContact O-N 2.96Å; S233-M235 PolarHBondContact O-N 2.64Å; M235-E239 WeakPolarHBondContact O-CG 3.29Å; M235-E239 PolarHBondContact O-N 3.29Å; M235-E239 VanDerWaalsContact O-N 3.1Å
236	Q	83.8	Confident	79.4	Confident	115 Å²	115	72 Å²	72	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-68.7	-37.1	176.3	-72.1	173.1	21.6	0	0	112	T232 S233 D234 E239 V240	T232-Q236 VanDerWaalsContact O-CG 3.31Å; T232-Q236 WeakPolarHBondContact O-CG 3.44Å; T232-Q236 PolarHBondContact O-N 2.75Å; S233-Q236 PolarHBondContact O-N 2.94Å; D234-Q236 VanDerWaalsContact C-N 3.3Å; D234-Q236 PolarHBondContact O-N 3.41Å; Q236-E239 PolarHBondContact O-N 3.4Å; Q236-V240 VanDerWaalsContact O-CG2 3.29Å; Q236-V240 WeakPolarHBondContact O-CG2 3.45Å; Q236-V240 PolarHBondContact O-N 2.94Å
237	A	80.9	Confident	76.9	Confident	44 Å²	44	73 Å²	73	36%	0.364	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-45.1	176.2	0	0	0	0	0	111.6	S233 D234 E239 V240 D241	S233-A237 PolarHBondContact O-N 3.19Å; D234-A237 PolarHBondContact O-N 2.84Å; D234-A237 VanDerWaalsContact O-N 3.15Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 3.44Å; A237-V240 PolarHBondContact O-N 3.48Å; A237-D241 PolarHBondContact O-N 2.97Å
238	E	77	Confident	74.5	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-33.1	176.4	-72.1	-179.7	-178.1	0	0	112.8	D234 D241 P242	D234-E238 WeakPolarHBondContact O-CG 3.45Å; D234-E238 PolarHBondContact O-N 3.33Å; E238-D241 CarbonylContact O-C 3.51Å; E238-P242 WeakPolarHBondContact O-CA 3.4Å
239	E	77.3	Confident	72.2	Confident	160 Å²	160	85.1 Å²	85.1	75%	0.748	50%	0.504	S	S	*	.	H	α-helix	trans	-68.4	-34.1	174.1	-79.1	-179.3	-172	0	0	112.9	M235 Q236 A237	M235-E239 WeakPolarHBondContact O-CG 3.29Å; M235-E239 PolarHBondContact O-N 3.29Å; M235-E239 VanDerWaalsContact O-N 3.1Å; Q236-E239 PolarHBondContact O-N 3.4Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 3.44Å
240	V	77.5	Confident	70.3	Confident	130 Å²	130	86.3 Å²	86.3	79%	0.788	50%	0.502	S	S	*	.	H	α-helix	trans	-84.8	-39.8	-178.4	173.5	0	0	0	0	111.6	Q236 A237	Q236-V240 VanDerWaalsContact O-CG2 3.29Å; Q236-V240 WeakPolarHBondContact O-CG2 3.45Å; Q236-V240 PolarHBondContact O-N 2.94Å; A237-V240 PolarHBondContact O-N 3.48Å
241	D	75.2	Confident	68.8	Low	77 Å²	77	92 Å²	92	41%	0.412	53%	0.528	S	S	.	.			trans	-141.1	101.4	176.3	-178.4	2.3	0	0	0	110	A237 E238 N243 A244	A237-D241 PolarHBondContact O-N 2.97Å; E238-D241 CarbonylContact O-C 3.51Å; D241-N243 PolarHBondContact O-N 3.47Å; D241-N243 PolarHBondContact OD1-N 3.28Å; D241-A244 HydrophobicContact CB-CB 4.03Å; D241-A244 WeakPolarHBondContact O-CB 3.27Å; D241-A244 PolarHBondContact O-N 3.19Å
242	P	70.3	Confident	67.4	Low	108 Å²	108	98 Å²	98	70%	0.701	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-14.9	178.9	-25.6	34.4	0	0	0	114.8	E238	E238-P242 WeakPolarHBondContact O-CA 3.4Å
243	N	65	Low	66.5	Low	121 Å²	121	95.8 Å²	95.8	65%	0.647	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	0.1	179.3	-61.6	-34.7	0	0	0	113.5	D241 G245	D241-N243 PolarHBondContact O-N 3.47Å; D241-N243 PolarHBondContact OD1-N 3.28Å; N243-G245 PolarHBondContact O-N 2.98Å; N243-G245 VanDerWaalsContact O-N 3.16Å
244	A	55.8	Low	65.6	Low	44 Å²	44	95.7 Å²	95.7	36%	0.364	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.6	-176.5	0	0	0	0	0	113.8	D241	D241-A244 HydrophobicContact CB-CB 4.03Å; D241-A244 WeakPolarHBondContact O-CB 3.27Å; D241-A244 PolarHBondContact O-N 3.19Å
245	G	48.8	Very low	64.9	Low	42 Å²	42	93.8 Å²	93.8	43%	0.433	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.6	-175.1	0	0	0	0	0	116.9	N243 G247	N243-G245 PolarHBondContact O-N 2.98Å; N243-G245 VanDerWaalsContact O-N 3.16Å; G245-G247 PolarHBondContact O-N 3.48Å
246	D	48.7	Very low	64	Low	157 Å²	157	91.9 Å²	91.9	84%	0.84	52%	0.515	S	S	*	.	S	Bend	trans	-87.5	6.7	-168	-95.9	-6.8	0	0	0	115.2
247	G	42.5	Very low	63.1	Low	72 Å²	72	87.8 Å²	87.8	74%	0.742	50%	0.495	S	S	*	.	S	Bend	trans	-148.9	-14.3	-173.8	0	0	0	0	0	118.2	G245	G245-G247 PolarHBondContact O-N 3.48Å
248	E	43.5	Very low	62	Low	158 Å²	158	89 Å²	89	74%	0.738	50%	0.496	S	S	*	.	S	Bend	trans	-93	141	176.7	-68.3	-169.5	163.7	0	0	110.8	K250	E248-K250 PolarHBondContact O-N 3.03Å
249	P	45.4	Very low	61	Low	123 Å²	123	87.6 Å²	87.6	80%	0.799	49%	0.49	S	S	*	.			trans	-60.9	114.6	168.6	-6	18.9	0	0	0	107.8	E251	P249-E251 PolarHBondContact O-N 3.23Å
250	K	54.3	Low	59.9	Low	118 Å²	118	87.1 Å²	87.1	51%	0.513	49%	0.492	S	S	.	.			trans	-51.7	131	169.4	-67.5	-166.4	172.6	-158.1	0	108.4	Y182 E248 Q252	Y182-K250 PolarHBondContact OH-NZ 2.99Å; E248-K250 PolarHBondContact O-N 3.03Å; K250-Q252 PolarHBondContact O-N 3.17Å
251	E	58.5	Low	58.9	Low	145 Å²	145	82 Å²	82	68%	0.678	46%	0.461	S	S	*	.			trans	-53.2	139.7	173.7	-74.9	-169.1	163.3	0	0	109.2	L230 P249 I253	L230-E251 HydrophobicContact CD1-CB 3.95Å; L230-E251 HydrophobicContact CD1-CG 4.41Å; L230-E251 HydrophobicContact CD2-CB 4.14Å; P249-E251 PolarHBondContact O-N 3.23Å; E251-I253 PolarHBondContact O-N 3.39Å
252	Q	63	Low	57.7	Low	126 Å²	126	82.2 Å²	82.2	59%	0.589	47%	0.469	S	S	*	.			trans	-66.9	111.1	-175.5	-169.7	173.9	-8.6	0	0	109.1	K250 Q254	K250-Q252 PolarHBondContact O-N 3.17Å; Q252-Q254 PolarHBondContact O-N 3.29Å
253	I	71.4	Confident	57.1	Low	14 Å²	14	81 Å²	81	7%	0.072	46%	0.457	C	S	.	.			trans	-62.9	129.6	178	-63.2	173	0	0	0	108.3	V179 Y182 E183 L230 W231 E251	V179-I253 HydrophobicContact CB-CG2 4.39Å; V179-I253 HydrophobicContact CG1-CG2 3.98Å; V179-I253 HydrophobicContact CG2-CG2 3.66Å; Y182-I253 HydrophobicContact CD1-CD1 3.27Å; Y182-I253 HydrophobicContact CE1-CD1 3.37Å; Y182-I253 HydrophobicContact CG-CD1 4.21Å; E183-I253 HydrophobicContact CG-CD1 3.7Å; L230-I253 HydrophobicContact CD2-CG1 3.97Å; W231-I253 HydrophobicContact CZ2-CG2 3.83Å; E251-I253 PolarHBondContact O-N 3.39Å
254	Q	70.4	Confident	56.7	Low	69 Å²	69	78.8 Å²	78.8	32%	0.322	45%	0.447	S	S	.	.			trans	-82.3	123.4	-179	-61.9	-177	-9.7	0	0	109.2	L223 N227 Q252	L223-Q254 HydrophobicContact CD2-CB 4.13Å; N227-Q254 PolarHBondContact ND2-O 3.42Å; N227-Q254 PolarHBondContact OD1-N 2.95Å; Q252-Q254 PolarHBondContact O-N 3.29Å
255	D	69.1	Low	56.7	Low	2 Å²	2	80.8 Å²	80.8	1%	0.011	45%	0.452	C	S	.	.			trans	-110.8	170.3	168.3	69	22.7	0	0	0	110.6	R57 R130 V179 E257 D258	R57-D255 IonicContact NH1-OD2 3.49Å; R57-D255 IonicContact NH2-OD2 3.48Å; R130-D255 IonicContact CZ-OD2 3.83Å; R130-D255 IonicContact NH1-OD2 2.73Å; R130-D255 PolarHBondContact NH1-OD2 3.44Å; R130-D255 IonicContact NH2-OD2 3.57Å; R130-D255 PolarHBondContact NH2-OD2 3.04Å; V179-D255 HydrophobicContact CG2-CB 4.41Å; D255-E257 PolarHBondContact O-N 3.26Å; D255-E257 VanDerWaalsContact O-N 3.11Å; D255-E257 WeakPolarHBondContact OD1-CA 2.86Å; D255-E257 WeakPolarHBondContact OD1-CB 3.43Å; D255-E257 PolarHBondContact OD1-N 3.31Å; D255-D258 PolarHBondContact O-N 3.36Å; D255-D258 PolarHBondContact OD1-N 3.49Å
256	V	66.3	Low	57.2	Low	17 Å²	17	83.1 Å²	83.1	10%	0.103	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.2	179.9	-179.3	0	0	0	0	111.5	L175 N176 Q259 V261	L175-V256 HydrophobicContact CB-CG2 4.24Å; L175-V256 HydrophobicContact CD2-CG2 3.68Å; L175-V256 HydrophobicContact CG-CG2 4.23Å; N176-V256 WeakPolarHBondContact OD1-CG2 3.4Å; N176-V256 PolarHBondContact OD1-N 3.44Å; N176-V256 VanDerWaalsContact OD1-N 3.11Å; V256-Q259 PolarHBondContact O-N 2.99Å; V256-Q259 VanDerWaalsContact O-O 3.05Å; V256-V261 HydrophobicContact CG1-CB 3.98Å; V256-V261 HydrophobicContact CG1-CG2 4.26Å
257	E	63.2	Low	57.7	Low	28 Å²	28	78.4 Å²	78.4	13%	0.131	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-78.7	-22.1	-175.9	-64.2	-177.1	-178.3	0	0	113.2	K50 R57 Y131 D255 Q259	K50-E257 WeakPolarHBondContact CE-O 3.3Å; K50-E257 HydrophobicContact CG-CB 4.28Å; K50-E257 HydrophobicContact CG-CG 4.41Å; K50-E257 PolarHBondContact NZ-O 3.38Å; R57-E257 IonicContact NH1-OE2 3.67Å; R57-E257 PolarHBondContact NH1-OE2 3.29Å; Y131-E257 VanDerWaalsContact CE2-OE1 3.24Å; Y131-E257 WeakPolarHBondContact CE2-OE1 3.31Å; Y131-E257 VanDerWaalsContact CE2-OE2 3.3Å; Y131-E257 WeakPolarHBondContact CE2-OE2 3.42Å; Y131-E257 VanDerWaalsContact CZ-CD 3.41Å; Y131-E257 PolarHBondContact OH-OE1 2.87Å; Y131-E257 PolarHBondContact OH-OE2 3.41Å; D255-E257 PolarHBondContact O-N 3.26Å; D255-E257 VanDerWaalsContact O-N 3.11Å; D255-E257 WeakPolarHBondContact OD1-CA 2.86Å; D255-E257 WeakPolarHBondContact OD1-CB 3.43Å; D255-E257 PolarHBondContact OD1-N 3.31Å; E257-Q259 PolarHBondContact O-N 3.45Å
258	D	57.9	Low	58.7	Low	71 Å²	71	78.9 Å²	78.9	38%	0.38	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-80	0.9	174.2	-69.5	-25.5	0	0	0	112.4	D255	D255-D258 PolarHBondContact O-N 3.36Å; D255-D258 PolarHBondContact OD1-N 3.49Å
259	Q	57.6	Low	59.8	Low	58 Å²	58	73.2 Å²	73.2	27%	0.271	38%	0.384	S	S	.	.	S	Bend	trans	-131.2	146.7	-172	-62.4	-71.9	-14.5	0	0	113.3	K50 L223 V256 E257 V261	K50-Q259 PolarHBondContact NZ-O 3.27Å; L223-Q259 HydrophobicContact CD1-CB 4.27Å; L223-Q259 HydrophobicContact CD1-CG 3.75Å; L223-Q259 HydrophobicContact CD2-CG 3.88Å; L223-Q259 HydrophobicContact CG-CG 4.45Å; V256-Q259 PolarHBondContact O-N 2.99Å; V256-Q259 VanDerWaalsContact O-O 3.05Å; E257-Q259 PolarHBondContact O-N 3.45Å; Q259-V261 VanDerWaalsContact C-N 3.26Å; Q259-V261 HydrophobicContact CB-CG2 3.98Å; Q259-V261 PolarHBondContact O-N 3.41Å
260	D	52.5	Low	60.9	Low	150 Å²	150	69.4 Å²	69.4	80%	0.802	35%	0.352	S	S	*	.			trans	-74.3	72.3	175.8	-73.4	-28.4	0	0	0	111.9
261	V	57.8	Low	61.5	Low	22 Å²	22	65.3 Å²	65.3	13%	0.133	34%	0.339	C	S	.	.			trans	-110	125.6	173.9	-166.4	0	0	0	0	109.4	D216 L219 I220 V256 Q259	D216-V261 HydrophobicContact CB-CG1 4.1Å; L219-V261 HydrophobicContact CD2-CG2 3.91Å; L219-V261 HydrophobicContact CG-CG2 4.39Å; I220-V261 HydrophobicContact CD1-CG1 3.73Å; I220-V261 HydrophobicContact CG1-CG1 3.86Å; I220-V261 HydrophobicContact CG1-CG2 4.25Å; V256-V261 HydrophobicContact CG1-CB 3.98Å; V256-V261 HydrophobicContact CG1-CG2 4.26Å; Q259-V261 VanDerWaalsContact C-N 3.26Å; Q259-V261 HydrophobicContact CB-CG2 3.98Å; Q259-V261 PolarHBondContact O-N 3.41Å
262	S	50	Low	61.7	Low	82 Å²	82	58.1 Å²	58.1	57%	0.573	31%	0.308	S	S	*	.			trans	-81.3	0	-179.6	21.9	0	0	0	0	115.6	N43 D216	N43-S262 VanDerWaalsContact CG-OXT 3.32Å; N43-S262 PolarHBondContact ND2-OXT 3Å; N43-S262 PolarHBondContact OD1-OXT 2.94Å; D216-S262 PolarHBondContact OD2-OG 3.18Å

Retrieved 262 of 262 residues in 297.3 ms (Link to these results)

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