A0A096MRL9_PAPAN Loading...

LRP2-binding protein

May act as an adapter that regulates LRP2 function.

AlphaFold DB , UniProt , Accession A0A096MRL9, Species PAPAN (Papio anubis, Olive baboon), Gene LRP2BP, Length 348 aa.

Structure Viewer

Loading PAE data...

(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	76.1	Confident	86.8	Confident	74 Å²	74	72.5 Å²	72.5	37%	0.365	35%	0.346	S	S	.	.				0	120.4	0	-168.3	167.5	59.7	0	0	113	L3 Y145 M179 L182 L289 E291	M1-L3 HydrophobicContact CE-CD1 4.32Å; M1-L3 HydrophobicContact CE-CD2 3.71Å; M1-L3 HydrophobicContact CE-CG 4.22Å; M1-L3 HydrophobicContact CG-CD2 3.67Å; M1-L3 HydrophobicContact CG-CG 4.3Å; M1-L3 HydrophobicContact SD-CD2 3.63Å; M1-Y145 HydrophobicContact CE-CE1 4.11Å; M1-M179 HydrophobicContact CE-CE 4.49Å; M1-M179 HydrophobicContact CE-SD 3.66Å; M1-M179 HydrophobicContact SD-SD 4.45Å; M1-L182 HydrophobicContact CE-CD2 3.75Å; M1-L182 HydrophobicContact CE-CG 4.42Å; M1-L182 HydrophobicContact SD-CD2 3.18Å; M1-L182 WeakPolarHBondContact SD-CD2 3.41Å; M1-L182 HydrophobicContact SD-CG 4.34Å; M1-L289 HydrophobicContact CG-CD1 4.16Å; M1-L289 HydrophobicContact SD-CD1 3.5Å; M1-L289 WeakPolarHBondContact SD-CD1 3.47Å; M1-E291 WeakPolarHBondContact CA-OE2 3.41Å; M1-E291 WeakPolarHBondContact CB-OE2 3.41Å; M1-E291 PolarHBondContact N-OE2 3.4Å
2	K	79.7	Confident	85.6	Confident	168 Å²	168	72.5 Å²	72.5	73%	0.73	36%	0.356	S	S	*	.			trans	-101.6	115.8	171	-178.2	178.3	179.5	-178.5	0	107.8
3	L	88.6	Confident	84	Confident	7 Å²	7	76.2 Å²	76.2	4%	0.037	37%	0.369	C	S	.	.			trans	-91.3	158.9	-178	-63	-177.8	0	0	0	110.9	M1 R142 Y145 E146 W161 M179 L289	M1-L3 HydrophobicContact CE-CD1 4.32Å; M1-L3 HydrophobicContact CE-CD2 3.71Å; M1-L3 HydrophobicContact CE-CG 4.22Å; M1-L3 HydrophobicContact CG-CD2 3.67Å; M1-L3 HydrophobicContact CG-CG 4.3Å; M1-L3 HydrophobicContact SD-CD2 3.63Å; L3-R142 HydrophobicContact CB-CG 3.76Å; L3-R142 HydrophobicContact CD1-CB 4.45Å; L3-R142 HydrophobicContact CD1-CG 4.08Å; L3-Y145 HydrophobicContact CD1-CD1 4.1Å; L3-E146 PolarHBondContact N-OE1 3.42Å; L3-E146 VanDerWaalsContact N-OE1 3.1Å; L3-W161 HydrophobicContact CD1-CH2 4.19Å; L3-W161 HydrophobicContact CD1-CZ2 3.93Å; L3-M179 HydrophobicContact CD1-CE 4.02Å; L3-M179 HydrophobicContact CD1-CG 4.46Å; L3-M179 HydrophobicContact CD1-SD 3.76Å; L3-M179 HydrophobicContact CD2-CE 3.2Å; L3-M179 HydrophobicContact CD2-SD 3.76Å; L3-M179 HydrophobicContact CG-CE 4.23Å; L3-M179 HydrophobicContact CG-SD 4.41Å; L3-L289 HydrophobicContact CD2-CD1 4.48Å; L3-L289 HydrophobicContact CD2-CD2 3.98Å
4	T	90.1	Very high	82.4	Confident	63 Å²	63	76.7 Å²	76.7	39%	0.387	37%	0.367	S	S	.	.			trans	-116.9	154.4	-179.9	53.9	0	0	0	0	111.3	Y138 R142 K175	T4-Y138 WeakPolarHBondContact O-CE1 3.34Å; T4-Y138 PolarHBondContact O-OH 3.38Å; T4-R142 VanDerWaalsContact C-NH1 3.31Å; T4-R142 PolarHBondContact O-NH1 3.08Å; T4-K175 WeakPolarHBondContact OG1-CE 3.48Å; T4-K175 PolarHBondContact OG1-NZ 3.33Å
5	S	92.1	Very high	80.2	Confident	16 Å²	16	75.3 Å²	75.3	11%	0.112	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-54.9	137.1	171.7	-70.2	0	0	0	0	112.6	D103 N139 R142 K175	S5-D103 VanDerWaalsContact CB-OD2 3.25Å; S5-D103 WeakPolarHBondContact CB-OD2 3.26Å; S5-D103 PolarHBondContact OG-OD2 3.33Å; S5-N139 WeakPolarHBondContact CA-OD1 3.34Å; S5-R142 PolarHBondContact OG-NH2 2.97Å; S5-K175 PolarHBondContact O-NZ 2.98Å
6	E	93.1	Very high	77.9	Confident	32 Å²	32	74.3 Å²	74.3	15%	0.15	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.9	157.3	-173.3	159.4	-163.7	0	0	107.7	Y95 A135 Y138 N139 S173 K175	E6-Y95 PolarHBondContact O-OH 3.1Å; E6-A135 HydrophobicContact CB-CB 4.33Å; E6-A135 HydrophobicContact CG-CB 3.94Å; E6-A135 WeakPolarHBondContact OE2-CA 3.41Å; E6-Y138 HydrophobicContact CB-CD1 3.48Å; E6-Y138 VanDerWaalsContact CB-CD1 3.48Å; E6-Y138 HydrophobicContact CB-CE1 3.96Å; E6-Y138 HydrophobicContact CB-CG 4.33Å; E6-Y138 VanDerWaalsContact OE2-CB 3.3Å; E6-Y138 WeakPolarHBondContact OE2-CB 3.5Å; E6-N139 PolarHBondContact N-OD1 2.98Å; E6-S173 VanDerWaalsContact CD-OG 3.22Å; E6-S173 PolarHBondContact OE1-OG 3.23Å; E6-S173 VanDerWaalsContact OE2-CB 3.24Å; E6-S173 WeakPolarHBondContact OE2-CB 3.48Å; E6-S173 PolarHBondContact OE2-OG 3.25Å; E6-K175 HydrophobicContact CB-CD 4.31Å
7	K	90.8	Very high	75.8	Confident	157 Å²	157	75.6 Å²	75.6	68%	0.683	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-74.8	158.5	180	-64.8	178.1	-179.2	175.3	0	109.3	P9	K7-P9 WeakPolarHBondContact O-CD 3.33Å; K7-P9 VanDerWaalsContact O-N 3.12Å
8	L	92.7	Very high	74	Confident	30 Å²	30	76 Å²	76	16%	0.157	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-51.3	119.4	172.1	179.5	75.4	0	0	0	110.5	F64 Q92 Y95 Q96 L132	L8-F64 HydrophobicContact CD2-CE1 4.25Å; L8-F64 HydrophobicContact CD2-CZ 3.57Å; L8-Q92 HydrophobicContact CD1-CB 4.06Å; L8-Q92 HydrophobicContact CD1-CG 4.43Å; L8-Y95 HydrophobicContact CB-CD1 4.23Å; L8-Y95 HydrophobicContact CB-CE1 3.99Å; L8-Y95 HydrophobicContact CD1-CD1 3.45Å; L8-Y95 VanDerWaalsContact CD1-CD1 3.45Å; L8-Y95 HydrophobicContact CD1-CE1 3.98Å; L8-Y95 HydrophobicContact CD1-CG 4.2Å; L8-Y95 HydrophobicContact CG-CD1 4.45Å; L8-Q96 HydrophobicContact CD1-CG 4.4Å; L8-Q96 HydrophobicContact CD2-CG 4.32Å; L8-L132 HydrophobicContact CD1-CD2 3.54Å
9	P	90.6	Very high	72.2	Confident	36 Å²	36	79.2 Å²	79.2	23%	0.234	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-70.1	150.9	179.9	27.7	-33.3	0	0	0	110.5	K7 N11 H131 L132 A135	K7-P9 WeakPolarHBondContact O-CD 3.33Å; K7-P9 VanDerWaalsContact O-N 3.12Å; P9-N11 PolarHBondContact O-N 3.26Å; P9-H131 VanDerWaalsContact CG-O 3.26Å; P9-H131 WeakPolarHBondContact CG-O 3.31Å; P9-L132 HydrophobicContact CG-CD2 3.87Å; P9-A135 HydrophobicContact CG-CB 4.17Å
10	K	82.7	Confident	70.6	Confident	195 Å²	195	82.6 Å²	82.6	85%	0.848	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-60.2	128.5	178.9	-70	-176.9	-179.1	176.8	0	110.1	P12	K10-P12 WeakPolarHBondContact O-CD 3.5Å
11	N	78.5	Confident	69.2	Low	19 Å²	19	80.3 Å²	80.3	10%	0.102	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-70.7	117.5	177.7	-174.2	-29.5	0	0	0	110	P9 F13 Y14 A15 Q92	P9-N11 PolarHBondContact O-N 3.26Å; N11-F13 PolarHBondContact O-N 3.38Å; N11-F13 VanDerWaalsContact OD1-CB 3.28Å; N11-F13 WeakPolarHBondContact OD1-CB 3.43Å; N11-F13 VanDerWaalsContact OD1-CD2 3.23Å; N11-F13 WeakPolarHBondContact OD1-CD2 3.3Å; N11-F13 PolarHBondContact OD1-N 3.49Å; N11-Y14 HydrophobicContact CB-CD2 3.55Å; N11-Y14 HydrophobicContact CB-CE2 4.09Å; N11-Y14 HydrophobicContact CB-CG 4.39Å; N11-Y14 WeakPolarHBondContact ND2-CD2 3.41Å; N11-Y14 WeakPolarHBondContact ND2-CE2 3.43Å; N11-Y14 PolarHBondContact O-N 3.38Å; N11-Y14 VanDerWaalsContact O-N 3.1Å; N11-A15 PolarHBondContact O-N 2.92Å; N11-Q92 PolarHBondContact ND2-OE1 3.44Å
12	P	72.1	Confident	67.8	Low	73 Å²	73	79.9 Å²	79.9	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-65.1	-24.2	-177.1	26.8	-34.3	0	0	0	112.6	K10 Y14 H131	K10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-Y14 VanDerWaalsContact C-N 3.33Å; P12-H131 HydrophobicContact CG-CB 4.14Å
13	F	65.2	Low	66.1	Low	120 Å²	120	80.6 Å²	80.6	53%	0.526	42%	0.42	S	S	.	.	H	α-helix	trans	-69.3	-31.2	176.7	-61.1	-76.2	0	0	0	111.9	N11 S16	N11-F13 PolarHBondContact O-N 3.38Å; N11-F13 VanDerWaalsContact OD1-CB 3.28Å; N11-F13 WeakPolarHBondContact OD1-CB 3.43Å; N11-F13 VanDerWaalsContact OD1-CD2 3.23Å; N11-F13 WeakPolarHBondContact OD1-CD2 3.3Å; N11-F13 PolarHBondContact OD1-N 3.49Å; F13-S16 PolarHBondContact O-OG 3.12Å
14	Y	61.2	Low	63.9	Low	84 Å²	84	83 Å²	83	33%	0.329	43%	0.432	S	S	.	.	H	α-helix	trans	-89.6	-20.9	177.8	-58.3	-46.4	0	0	0	113.9	N11 P12 S16 I17 L61	N11-Y14 HydrophobicContact CB-CD2 3.55Å; N11-Y14 HydrophobicContact CB-CE2 4.09Å; N11-Y14 HydrophobicContact CB-CG 4.39Å; N11-Y14 WeakPolarHBondContact ND2-CD2 3.41Å; N11-Y14 WeakPolarHBondContact ND2-CE2 3.43Å; N11-Y14 PolarHBondContact O-N 3.38Å; N11-Y14 VanDerWaalsContact O-N 3.1Å; P12-Y14 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.36Å; Y14-S16 VanDerWaalsContact O-N 3.13Å; Y14-I17 HydrophobicContact CD1-CD1 4.33Å; Y14-I17 WeakPolarHBondContact O-CB 3.27Å; Y14-I17 PolarHBondContact O-N 3.1Å; Y14-L61 HydrophobicContact CD1-CD2 3.96Å; Y14-L61 HydrophobicContact CD2-CD1 4.4Å; Y14-L61 HydrophobicContact CE1-CD1 4.04Å; Y14-L61 HydrophobicContact CE1-CD2 3.26Å; Y14-L61 HydrophobicContact CE1-CG 4.25Å; Y14-L61 HydrophobicContact CE2-CD1 3.52Å; Y14-L61 HydrophobicContact CE2-CD2 4.31Å; Y14-L61 VanDerWaalsContact CZ-CD2 3.5Å; Y14-L61 VanDerWaalsContact OH-CD1 3.23Å; Y14-L61 WeakPolarHBondContact OH-CD1 3.23Å
15	A	50.3	Low	61.8	Low	55 Å²	55	87.3 Å²	87.3	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-58.4	-25.7	173.1	0	0	0	0	0	112.4	N11 I17 S18	N11-A15 PolarHBondContact O-N 2.92Å; A15-I17 PolarHBondContact O-N 3.29Å; A15-S18 PolarHBondContact O-N 3.41Å; A15-S18 PolarHBondContact O-OG 2.89Å
16	S	43.3	Very low	59.6	Low	60 Å²	60	96.3 Å²	96.3	42%	0.42	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-20.8	174.8	72.8	0	0	0	0	114.4	F13 Y14 S18 Q19 Y20	F13-S16 PolarHBondContact O-OG 3.12Å; Y14-S16 PolarHBondContact O-N 3.36Å; Y14-S16 VanDerWaalsContact O-N 3.13Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 3.35Å; S16-Q19 PolarHBondContact O-N 3.47Å; S16-Y20 WeakPolarHBondContact O-CB 3.39Å; S16-Y20 PolarHBondContact O-N 2.87Å
17	I	42.5	Very low	57	Low	96 Å²	96	98.9 Å²	98.9	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-32.7	178.7	-61	172.8	0	0	0	110.7	Y14 A15 Y20 A21	Y14-I17 HydrophobicContact CD1-CD1 4.33Å; Y14-I17 WeakPolarHBondContact O-CB 3.27Å; Y14-I17 PolarHBondContact O-N 3.1Å; A15-I17 PolarHBondContact O-N 3.29Å; I17-Y20 PolarHBondContact O-N 2.98Å; I17-A21 VanDerWaalsContact O-CB 3.23Å; I17-A21 WeakPolarHBondContact O-CB 3.23Å; I17-A21 PolarHBondContact O-N 3.39Å
18	S	43.5	Very low	54.4	Low	83 Å²	83	96.1 Å²	96.1	58%	0.58	50%	0.495	S	S	*	.	H	α-helix	trans	-65.3	-40.5	173.7	69	0	0	0	0	112	A15 S16 A22	A15-S18 PolarHBondContact O-N 3.41Å; A15-S18 PolarHBondContact O-OG 2.89Å; S16-S18 VanDerWaalsContact C-N 3.29Å; S16-S18 PolarHBondContact O-N 3.35Å; S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 3.49Å
19	Q	38.8	Very low	51.8	Low	137 Å²	137	103 Å²	103	64%	0.64	53%	0.527	S	S	*	.	H	α-helix	trans	-72.5	-33	175.1	-70.5	179.8	-17.3	0	0	112.4	S16 K23	S16-Q19 PolarHBondContact O-N 3.47Å; Q19-K23 WeakPolarHBondContact O-CB 3.12Å; Q19-K23 WeakPolarHBondContact O-CG 3.3Å; Q19-K23 PolarHBondContact O-N 3.18Å
20	Y	40.7	Very low	49.6	Very low	147 Å²	147	111.4 Å²	111.4	58%	0.576	55%	0.554	S	S	*	*	H	α-helix	trans	-72.3	-41.4	175.5	-170.5	-91.9	0	0	0	111.9	S16 I17 A22 K23 N24	S16-Y20 WeakPolarHBondContact O-CB 3.39Å; S16-Y20 PolarHBondContact O-N 2.87Å; I17-Y20 PolarHBondContact O-N 2.98Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-K23 PolarHBondContact O-N 3.16Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.27Å; Y20-N24 HydrophobicContact CE1-CB 4.47Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.46Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.43Å; Y20-N24 WeakPolarHBondContact O-CB 3.41Å; Y20-N24 PolarHBondContact O-N 3.05Å; Y20-N24 PolarHBondContact O-ND2 3.33Å
21	A	41.2	Very low	47.6	Very low	34 Å²	34	110.7 Å²	110.7	28%	0.281	55%	0.551	S	S	.	*	H	α-helix	trans	-65.4	-37.1	172.5	0	0	0	0	0	111.6	I17 N24 Q25 F28	I17-A21 VanDerWaalsContact O-CB 3.23Å; I17-A21 WeakPolarHBondContact O-CB 3.23Å; I17-A21 PolarHBondContact O-N 3.39Å; A21-N24 CarbonylContact O-C 3.36Å; A21-N24 PolarHBondContact O-N 2.9Å; A21-Q25 PolarHBondContact O-N 3.32Å; A21-F28 HydrophobicContact CB-CD2 4.43Å; A21-F28 HydrophobicContact CB-CE2 4.22Å
22	A	46.2	Very low	45.9	Very low	65 Å²	65	120 Å²	120	54%	0.537	59%	0.59	S	S	.	*	H	α-helix	trans	-65.2	-37.6	172.1	0	0	0	0	0	112.7	S18 Y20	S18-A22 VanDerWaalsContact O-CB 3.28Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 3.49Å; Y20-A22 VanDerWaalsContact C-N 3.34Å
23	K	44.3	Very low	45.1	Very low	184 Å²	184	121.5 Å²	121.5	80%	0.8	59%	0.591	S	S	*	*	H	α-helix	trans	-78.4	-25.8	176.4	-80.2	-178.8	175.2	-179.9	0	114.1	Q19 Y20	Q19-K23 WeakPolarHBondContact O-CB 3.12Å; Q19-K23 WeakPolarHBondContact O-CG 3.3Å; Q19-K23 PolarHBondContact O-N 3.18Å; Y20-K23 PolarHBondContact O-N 3.16Å
24	N	41.9	Very low	44.6	Very low	56 Å²	56	125 Å²	125	30%	0.299	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116	46.4	-177.2	-66.2	-53.1	0	0	0	112.6	Y20 A21 K26 S27 F28	Y20-N24 WeakPolarHBondContact CD1-ND2 3.27Å; Y20-N24 HydrophobicContact CE1-CB 4.47Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.46Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.43Å; Y20-N24 WeakPolarHBondContact O-CB 3.41Å; Y20-N24 PolarHBondContact O-N 3.05Å; Y20-N24 PolarHBondContact O-ND2 3.33Å; A21-N24 CarbonylContact O-C 3.36Å; A21-N24 PolarHBondContact O-N 2.9Å; N24-K26 PolarHBondContact O-N 2.89Å; N24-K26 VanDerWaalsContact O-N 3.1Å; N24-S27 WeakPolarHBondContact CB-OG 3.43Å; N24-S27 PolarHBondContact O-N 3.22Å; N24-S27 VanDerWaalsContact O-N 3.08Å; N24-S27 PolarHBondContact O-OG 3.13Å; N24-F28 PolarHBondContact O-N 3.47Å
25	Q	45.8	Very low	44.1	Very low	154 Å²	154	126.6 Å²	126.6	72%	0.72	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.5	-31	175.5	-87.2	-178.6	-14.8	0	0	113.4	A21 F28	A21-Q25 PolarHBondContact O-N 3.32Å; Q25-F28 CarbonylContact O-C 3.53Å; Q25-F28 PolarHBondContact O-N 3.42Å
26	K	47.1	Very low	44.2	Very low	205 Å²	205	130 Å²	130	89%	0.891	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-25.5	179.7	-71.3	-174.5	178.5	179.9	0	114.2	N24	N24-K26 PolarHBondContact O-N 2.89Å; N24-K26 VanDerWaalsContact O-N 3.1Å
27	S	37.7	Very low	44.9	Very low	86 Å²	86	135.2 Å²	135.2	60%	0.601	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-17	175.7	63.7	0	0	0	0	112.6	N24	N24-S27 WeakPolarHBondContact CB-OG 3.43Å; N24-S27 PolarHBondContact O-N 3.22Å; N24-S27 VanDerWaalsContact O-N 3.08Å; N24-S27 PolarHBondContact O-OG 3.13Å
28	F	36.5	Very low	46	Very low	99 Å²	99	135.3 Å²	135.3	43%	0.434	65%	0.648	S	S	.	*			trans	-99.8	63.3	168.4	-77.2	-88.5	0	0	0	109.8	A21 N24 Q25 W30	A21-F28 HydrophobicContact CB-CD2 4.43Å; A21-F28 HydrophobicContact CB-CE2 4.22Å; N24-F28 PolarHBondContact O-N 3.47Å; Q25-F28 CarbonylContact O-C 3.53Å; Q25-F28 PolarHBondContact O-N 3.42Å; F28-W30 PolarHBondContact O-N 3.23Å
29	Q	38.7	Very low	48	Very low	175 Å²	175	134.1 Å²	134.1	82%	0.818	64%	0.639	S	S	*	*			trans	-66.9	85.9	155.5	-81.5	-171.7	-11.1	0	0	107.2	K31	Q29-K31 PolarHBondContact O-N 2.89Å
30	W	43.1	Very low	50.3	Low	213 Å²	213	133.3 Å²	133.3	81%	0.807	64%	0.635	S	S	*	*			trans	-54.3	111.5	162.8	-71.8	84.6	0	0	0	106.1	F28 K32	F28-W30 PolarHBondContact O-N 3.23Å; W30-K32 PolarHBondContact O-N 2.97Å
31	K	42	Very low	52.5	Low	180 Å²	180	129 Å²	129	78%	0.783	63%	0.63	S	S	*	*			trans	-50.8	122	160.3	-81	-176.2	175	-178.7	0	104.7	Q29 E33	Q29-K31 PolarHBondContact O-N 2.89Å; K31-E33 PolarHBondContact O-N 3.08Å
32	K	43	Very low	54.8	Low	214 Å²	214	131.1 Å²	131.1	93%	0.93	64%	0.637	S	S	*	*			trans	-63.3	75	169	-85.1	-177.8	171.2	-179.1	0	107.6	W30	W30-K32 PolarHBondContact O-N 2.97Å
33	E	54.6	Low	56.9	Low	105 Å²	105	132.4 Å²	132.4	49%	0.491	63%	0.634	S	S	.	*			trans	-68.3	131.2	159.6	-77.5	-178.7	173.7	0	0	106	K31 T35 Y38 K46	K31-E33 PolarHBondContact O-N 3.08Å; E33-T35 PolarHBondContact O-N 3.14Å; E33-T35 VanDerWaalsContact O-N 3.12Å; E33-Y38 PolarHBondContact OE2-OH 3.15Å; E33-Y38 VanDerWaalsContact OE2-OH 3.06Å; E33-K46 IonicContact OE2-NZ 2.64Å; E33-K46 PolarHBondContact OE2-NZ 3.41Å
34	K	54.2	Low	59.1	Low	193 Å²	193	124 Å²	124	84%	0.839	60%	0.598	S	S	*	*			trans	-49.5	121.2	179.7	-70.5	-179.6	174.9	-177.5	0	108.9	D36	K34-D36 PolarHBondContact O-N 3.27Å
35	T	50.8	Low	61.5	Low	118 Å²	118	125.4 Å²	125.4	72%	0.724	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-3.1	-171.5	38.6	0	0	0	0	114.2	E33	E33-T35 PolarHBondContact O-N 3.14Å; E33-T35 VanDerWaalsContact O-N 3.12Å
36	D	52.3	Low	63.8	Low	127 Å²	127	121.9 Å²	121.9	68%	0.679	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-8.8	-156.5	-62	-17.1	0	0	0	114.9	K34	K34-D36 PolarHBondContact O-N 3.27Å
37	H	57.5	Low	66	Low	169 Å²	169	113.9 Å²	113.9	78%	0.782	56%	0.56	S	S	*	*			trans	-137.4	45.4	-171.1	-63.4	-2.6	0	0	0	115.3
38	Y	65.2	Low	68.7	Low	98 Å²	98	111 Å²	111	38%	0.384	54%	0.538	S	S	.	.			trans	-102.4	106.1	168.6	-71.9	-77	0	0	0	110.5	E33 N42 L43 K46	E33-Y38 PolarHBondContact OE2-OH 3.15Å; E33-Y38 VanDerWaalsContact OE2-OH 3.06Å; Y38-N42 HydrophobicContact CD1-CB 4.18Å; Y38-L43 HydrophobicContact CD1-CD2 4.04Å; Y38-L43 HydrophobicContact CG-CD2 3.95Å; Y38-K46 HydrophobicContact CE1-CD 4.23Å; Y38-K46 PolarHBondContact OH-NZ 3.31Å
39	S	86	Confident	71.5	Confident	58 Å²	58	112 Å²	112	41%	0.406	54%	0.544	S	S	.	.			trans	-68.2	158.7	163.7	65.6	0	0	0	0	110	A41 N42 L43	S39-A41 VanDerWaalsContact C-N 3.26Å; S39-A41 PolarHBondContact O-N 3.49Å; S39-N42 WeakPolarHBondContact O-CB 3.41Å; S39-N42 PolarHBondContact O-N 3.39Å; S39-N42 WeakPolarHBondContact OG-CB 3.45Å; S39-N42 PolarHBondContact OG-N 2.49Å; S39-N42 PolarHBondContact OG-ND2 2.96Å; S39-N42 PolarHBondContact OG-OD1 2.93Å; S39-L43 PolarHBondContact O-N 3.43Å; S39-L43 VanDerWaalsContact O-N 3.1Å
40	H	86.7	Confident	74.1	Confident	119 Å²	119	108.6 Å²	108.6	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-50.8	-47.9	173.5	179.5	71.6	0	0	0	111.4	N42 L43 V44 E73	H40-N42 VanDerWaalsContact C-N 3.34Å; H40-N42 PolarHBondContact O-N 2.68Å; H40-L43 WeakPolarHBondContact O-CB 3.39Å; H40-L43 PolarHBondContact O-N 3.18Å; H40-V44 WeakPolarHBondContact O-CG2 3.31Å; H40-V44 PolarHBondContact O-N 3.1Å; H40-E73 IonicContact CD2-OE2 3.95Å; H40-E73 IonicContact CE1-OE1 2.87Å; H40-E73 PolarHBondContact CE1-OE1 3.24Å; H40-E73 IonicContact CE1-OE2 2.84Å; H40-E73 IonicContact NE2-OE1 2.66Å; H40-E73 PolarHBondContact NE2-OE1 2.93Å; H40-E73 IonicContact NE2-OE2 2.75Å; H40-E73 PolarHBondContact NE2-OE2 3.06Å
41	A	87.5	Confident	76.6	Confident	58 Å²	58	99.3 Å²	99.3	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-56	-44.1	176.2	0	0	0	0	0	112.9	S39 L43 V44 D45	S39-A41 VanDerWaalsContact C-N 3.26Å; S39-A41 PolarHBondContact O-N 3.49Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 3.32Å; A41-V44 PolarHBondContact O-N 3.12Å; A41-D45 PolarHBondContact O-N 3.06Å
42	N	89.1	Confident	79.1	Confident	78 Å²	78	97 Å²	97	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-33.7	177.9	-68.6	-6.4	0	0	0	112.1	Y38 S39 H40 K46	Y38-N42 HydrophobicContact CD1-CB 4.18Å; S39-N42 WeakPolarHBondContact O-CB 3.41Å; S39-N42 PolarHBondContact O-N 3.39Å; S39-N42 WeakPolarHBondContact OG-CB 3.45Å; S39-N42 PolarHBondContact OG-N 2.49Å; S39-N42 PolarHBondContact OG-ND2 2.96Å; S39-N42 PolarHBondContact OG-OD1 2.93Å; H40-N42 VanDerWaalsContact C-N 3.34Å; H40-N42 PolarHBondContact O-N 2.68Å; N42-K46 VanDerWaalsContact O-CB 3.31Å; N42-K46 WeakPolarHBondContact O-CB 3.47Å; N42-K46 PolarHBondContact O-N 3.34Å; N42-K46 VanDerWaalsContact O-N 3.1Å
43	L	90.1	Very high	81.6	Confident	91 Å²	91	93 Å²	93	48%	0.476	47%	0.469	S	S	.	.	H	α-helix	trans	-70.7	-44.2	176.4	-67.3	175.1	0	0	0	111.4	Y38 S39 H40 A41 K46 A47	Y38-L43 HydrophobicContact CD1-CD2 4.04Å; Y38-L43 HydrophobicContact CG-CD2 3.95Å; S39-L43 PolarHBondContact O-N 3.43Å; S39-L43 VanDerWaalsContact O-N 3.1Å; H40-L43 WeakPolarHBondContact O-CB 3.39Å; H40-L43 PolarHBondContact O-N 3.18Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 PolarHBondContact O-N 3.32Å; L43-K46 PolarHBondContact O-N 3.33Å; L43-A47 WeakPolarHBondContact O-CB 3.36Å; L43-A47 PolarHBondContact O-N 2.66Å
44	V	91.8	Very high	83.5	Confident	8 Å²	8	92.9 Å²	92.9	5%	0.048	46%	0.464	C	S	.	.	H	α-helix	trans	-59.3	-49.6	175.8	174.3	0	0	0	0	110.3	H40 A41 K46 A47 L48 L69 E73 W75	H40-V44 WeakPolarHBondContact O-CG2 3.31Å; H40-V44 PolarHBondContact O-N 3.1Å; A41-V44 PolarHBondContact O-N 3.12Å; V44-K46 PolarHBondContact O-N 2.97Å; V44-A47 WeakPolarHBondContact O-CB 3.39Å; V44-A47 PolarHBondContact O-N 2.75Å; V44-A47 VanDerWaalsContact O-N 3.15Å; V44-L48 HydrophobicContact CG1-CD1 3.92Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 WeakPolarHBondContact O-CG 3.35Å; V44-L48 PolarHBondContact O-N 3.39Å; V44-L69 HydrophobicContact CG1-CD2 4.43Å; V44-E73 HydrophobicContact CG1-CG 4.12Å; V44-E73 HydrophobicContact CG2-CG 4.19Å; V44-E73 WeakPolarHBondContact CG2-OE1 3.39Å; V44-W75 HydrophobicContact CG1-CH2 3.95Å
45	D	91.9	Very high	85.4	Confident	85 Å²	85	85.5 Å²	85.5	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-44.8	178	-79.2	-18.7	0	0	0	112.3	A41 A47 L48 Q49	A41-D45 PolarHBondContact O-N 3.06Å; D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 3.03Å; D45-L48 PolarHBondContact O-N 2.98Å; D45-Q49 WeakPolarHBondContact O-CG 3.39Å; D45-Q49 PolarHBondContact O-N 3.19Å
46	K	93.3	Very high	87.4	Confident	81 Å²	81	86.6 Å²	86.6	35%	0.352	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-41.1	177.6	-166.9	173.6	-171.9	175.6	0	111	E33 Y38 N42 L43 V44 Q49 L50	E33-K46 IonicContact OE2-NZ 2.64Å; E33-K46 PolarHBondContact OE2-NZ 3.41Å; Y38-K46 HydrophobicContact CE1-CD 4.23Å; Y38-K46 PolarHBondContact OH-NZ 3.31Å; N42-K46 VanDerWaalsContact O-CB 3.31Å; N42-K46 WeakPolarHBondContact O-CB 3.47Å; N42-K46 PolarHBondContact O-N 3.34Å; N42-K46 VanDerWaalsContact O-N 3.1Å; L43-K46 PolarHBondContact O-N 3.33Å; V44-K46 PolarHBondContact O-N 2.97Å; K46-Q49 PolarHBondContact O-N 3.15Å; K46-L50 WeakPolarHBondContact O-CG 3.47Å; K46-L50 PolarHBondContact O-N 2.9Å; K46-L50 VanDerWaalsContact O-N 3.12Å
47	A	93.9	Very high	89.4	Confident	36 Å²	36	89.2 Å²	89.2	30%	0.298	44%	0.439	S	S	.	.	H	α-helix	trans	-62.7	-47.1	176.1	0	0	0	0	0	111.5	L43 V44 D45 Q49 L50 L51 L69	L43-A47 WeakPolarHBondContact O-CB 3.36Å; L43-A47 PolarHBondContact O-N 2.66Å; V44-A47 WeakPolarHBondContact O-CB 3.39Å; V44-A47 PolarHBondContact O-N 2.75Å; V44-A47 VanDerWaalsContact O-N 3.15Å; D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 3.03Å; A47-Q49 PolarHBondContact O-N 3.49Å; A47-L50 PolarHBondContact O-N 2.99Å; A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.39Å; A47-L51 PolarHBondContact O-N 3.21Å; A47-L69 HydrophobicContact CB-CD2 3.86Å
48	L	94.4	Very high	90.8	Very high	26 Å²	26	84 Å²	84	14%	0.136	43%	0.432	C	S	.	.	H	α-helix	trans	-61	-41.2	178	-70	171.5	0	0	0	112.5	V44 D45 L50 L51 K52 R66 L69 Y70 W75	V44-L48 HydrophobicContact CG1-CD1 3.92Å; V44-L48 HydrophobicContact CG1-CG 4.41Å; V44-L48 WeakPolarHBondContact O-CG 3.35Å; V44-L48 PolarHBondContact O-N 3.39Å; D45-L48 PolarHBondContact O-N 2.98Å; L48-L50 PolarHBondContact O-N 3.25Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-K52 WeakPolarHBondContact O-CB 3.08Å; L48-K52 PolarHBondContact O-N 2.9Å; L48-R66 HydrophobicContact CD2-CG 3.85Å; L48-L69 HydrophobicContact CD2-CD2 3.69Å; L48-L69 HydrophobicContact CD2-CG 4.44Å; L48-L69 HydrophobicContact CG-CD2 3.84Å; L48-Y70 HydrophobicContact CD1-CE1 4.1Å; L48-Y70 HydrophobicContact CD2-CD1 4.02Å; L48-Y70 HydrophobicContact CD2-CE1 3.34Å; L48-Y70 HydrophobicContact CG-CE1 4.38Å; L48-W75 HydrophobicContact CD1-CH2 4.13Å; L48-W75 HydrophobicContact CD1-CZ3 3.7Å
49	Q	94.4	Very high	91.9	Very high	121 Å²	121	81.6 Å²	81.6	57%	0.565	43%	0.426	S	S	*	.	H	α-helix	trans	-62.9	-41.3	175.3	-72.5	-179.5	11.9	0	0	112.5	D45 K46 A47 K53	D45-Q49 WeakPolarHBondContact O-CG 3.39Å; D45-Q49 PolarHBondContact O-N 3.19Å; K46-Q49 PolarHBondContact O-N 3.15Å; A47-Q49 PolarHBondContact O-N 3.49Å; Q49-K53 WeakPolarHBondContact O-CG 3.36Å; Q49-K53 PolarHBondContact O-N 3.2Å; Q49-K53 VanDerWaalsContact O-N 3.16Å
50	L	94.7	Very high	91.8	Very high	102 Å²	102	83.9 Å²	83.9	53%	0.534	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-44.1	176.8	-71.8	171.4	0	0	0	111.5	K46 A47 L48 K53 R54	K46-L50 WeakPolarHBondContact O-CG 3.47Å; K46-L50 PolarHBondContact O-N 2.9Å; K46-L50 VanDerWaalsContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 2.99Å; L48-L50 PolarHBondContact O-N 3.25Å; L50-K53 PolarHBondContact O-N 3.1Å; L50-R54 WeakPolarHBondContact O-CG 3.48Å; L50-R54 PolarHBondContact O-N 3.21Å; L50-R54 VanDerWaalsContact O-N 3.13Å
51	L	95.1	Very high	92	Very high	19 Å²	19	79.4 Å²	79.4	10%	0.099	42%	0.417	C	S	.	.	H	α-helix	trans	-63.2	-44.6	177.5	-69	169.9	0	0	0	111.2	A47 L48 K53 R54 I55 A62 L65 R66 L69	A47-L51 VanDerWaalsContact O-CG 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.39Å; A47-L51 PolarHBondContact O-N 3.21Å; L48-L51 PolarHBondContact O-N 3.15Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.28Å; L51-R54 PolarHBondContact O-N 3.05Å; L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.48Å; L51-I55 PolarHBondContact O-N 3.44Å; L51-A62 HydrophobicContact CD2-CB 4.11Å; L51-L65 HydrophobicContact CD1-CB 4.45Å; L51-L65 HydrophobicContact CD2-CB 3.8Å; L51-L65 HydrophobicContact CD2-CD1 4.29Å; L51-R66 HydrophobicContact CB-CB 4.3Å; L51-R66 HydrophobicContact CD1-CB 3.99Å; L51-L69 HydrophobicContact CD1-CD2 4.32Å
52	K	94.7	Very high	92.2	Very high	131 Å²	131	76.7 Å²	76.7	57%	0.57	40%	0.395	S	S	*	.	H	α-helix	trans	-55.6	-44.8	174.7	-174.8	175.5	-178.5	174.5	0	112.2	L48 R54 I55 L56	L48-K52 WeakPolarHBondContact O-CB 3.08Å; L48-K52 PolarHBondContact O-N 2.9Å; K52-R54 VanDerWaalsContact C-N 3.31Å; K52-R54 PolarHBondContact O-N 3.26Å; K52-I55 PolarHBondContact O-N 3.24Å; K52-L56 WeakPolarHBondContact O-CG 3.34Å; K52-L56 PolarHBondContact O-N 3.5Å; K52-L56 VanDerWaalsContact O-N 3.08Å
53	K	95.4	Very high	92.4	Very high	130 Å²	130	75.1 Å²	75.1	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-34.1	176.9	-73.7	175.1	-177.2	175.2	0	112.9	Q49 L50 L51 K57	Q49-K53 WeakPolarHBondContact O-CG 3.36Å; Q49-K53 PolarHBondContact O-N 3.2Å; Q49-K53 VanDerWaalsContact O-N 3.16Å; L50-K53 PolarHBondContact O-N 3.1Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.28Å; K53-K57 WeakPolarHBondContact O-CG 3.35Å
54	R	95.5	Very high	92.5	Very high	103 Å²	103	71 Å²	71	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-73.6	-41.6	176.6	-71.6	176.5	66.4	177.9	-1.1	111.6	L50 L51 K52 L56 K57 G58 D59 A62	L50-R54 WeakPolarHBondContact O-CG 3.48Å; L50-R54 PolarHBondContact O-N 3.21Å; L50-R54 VanDerWaalsContact O-N 3.13Å; L51-R54 PolarHBondContact O-N 3.05Å; K52-R54 VanDerWaalsContact C-N 3.31Å; K52-R54 PolarHBondContact O-N 3.26Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3.44Å; R54-K57 CarbonylContact O-C 3.22Å; R54-K57 WeakPolarHBondContact O-CA 3.41Å; R54-K57 WeakPolarHBondContact O-CB 3.41Å; R54-K57 PolarHBondContact O-N 3.1Å; R54-G58 PolarHBondContact O-N 3.46Å; R54-D59 HydrophobicContact CB-CB 4.02Å; R54-D59 IonicContact CZ-OD2 2.93Å; R54-D59 IonicContact NE-OD2 3.85Å; R54-D59 PolarHBondContact NE-OD2 3.49Å; R54-D59 IonicContact NH2-OD1 3.65Å; R54-D59 IonicContact NH2-OD2 3.1Å; R54-D59 PolarHBondContact NH2-OD2 2.84Å; R54-D59 VanDerWaalsContact O-CB 3.27Å; R54-D59 WeakPolarHBondContact O-CB 3.06Å; R54-D59 PolarHBondContact O-N 2.99Å; R54-A62 HydrophobicContact CB-CB 3.42Å; R54-A62 VanDerWaalsContact CB-CB 3.42Å; R54-A62 HydrophobicContact CG-CB 4.46Å
55	I	93.2	Very high	92.7	Very high	37 Å²	37	73.5 Å²	73.5	19%	0.19	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.5	-67.6	165	0	0	0	110.8	L51 K52 K57 G58 A62 Y63 R66	L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.48Å; L51-I55 PolarHBondContact O-N 3.44Å; K52-I55 PolarHBondContact O-N 3.24Å; I55-K57 PolarHBondContact O-N 3.48Å; I55-K57 VanDerWaalsContact O-N 3.1Å; I55-G58 PolarHBondContact O-N 3.28Å; I55-A62 HydrophobicContact CG1-CB 3.85Å; I55-Y63 HydrophobicContact CD1-CD2 3.89Å; I55-Y63 HydrophobicContact CG1-CD2 4.12Å; I55-Y63 HydrophobicContact CG2-CD2 3.87Å; I55-Y63 HydrophobicContact CG2-CE2 4.43Å; I55-R66 HydrophobicContact CD1-CB 4.37Å; I55-R66 VanDerWaalsContact CD1-CZ 3.42Å
56	L	93.3	Very high	92.9	Very high	142 Å²	142	71.3 Å²	71.3	74%	0.743	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.9	175	-72.7	172	0	0	0	113.7	K52 R54	K52-L56 WeakPolarHBondContact O-CG 3.34Å; K52-L56 PolarHBondContact O-N 3.5Å; K52-L56 VanDerWaalsContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3.44Å
57	K	93.8	Very high	93	Very high	181 Å²	181	67.5 Å²	67.5	79%	0.787	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	6.4	175.3	-63.8	177.2	-178.5	-172.7	0	113.1	K53 R54 I55	K53-K57 WeakPolarHBondContact O-CG 3.35Å; R54-K57 CarbonylContact O-C 3.22Å; R54-K57 WeakPolarHBondContact O-CA 3.41Å; R54-K57 WeakPolarHBondContact O-CB 3.41Å; R54-K57 PolarHBondContact O-N 3.1Å; I55-K57 PolarHBondContact O-N 3.48Å; I55-K57 VanDerWaalsContact O-N 3.1Å
58	G	87.2	Confident	93.1	Very high	61 Å²	61	67 Å²	67	63%	0.629	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	16.3	179.1	0	0	0	0	0	115.1	R54 I55 T60	R54-G58 PolarHBondContact O-N 3.46Å; I55-G58 PolarHBondContact O-N 3.28Å; G58-T60 PolarHBondContact O-N 3.32Å
59	D	88.2	Confident	93.1	Very high	47 Å²	47	67 Å²	67	25%	0.251	34%	0.335	S	S	.	.			trans	-77.4	103	179	-172.6	-19.9	0	0	0	111.4	R54 L61 A62 Y63	R54-D59 HydrophobicContact CB-CB 4.02Å; R54-D59 IonicContact CZ-OD2 2.93Å; R54-D59 IonicContact NE-OD2 3.85Å; R54-D59 PolarHBondContact NE-OD2 3.49Å; R54-D59 IonicContact NH2-OD1 3.65Å; R54-D59 IonicContact NH2-OD2 3.1Å; R54-D59 PolarHBondContact NH2-OD2 2.84Å; R54-D59 VanDerWaalsContact O-CB 3.27Å; R54-D59 WeakPolarHBondContact O-CB 3.06Å; R54-D59 PolarHBondContact O-N 2.99Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.42Å; D59-L61 WeakPolarHBondContact OD1-CB 3.21Å; D59-L61 PolarHBondContact OD1-N 2.93Å; D59-A62 HydrophobicContact CB-CB 3.93Å; D59-A62 PolarHBondContact O-N 3.33Å; D59-A62 PolarHBondContact OD1-N 2.98Å; D59-A62 VanDerWaalsContact OD1-N 3.1Å; D59-Y63 PolarHBondContact O-N 3.41Å
60	T	84.6	Confident	93.2	Very high	105 Å²	105	63.1 Å²	63.1	64%	0.644	32%	0.315	S	S	*	.	H	α-helix	trans	-66.6	-31.5	-179.4	55.4	0	0	0	0	113	G58 A62 Y63 F64	G58-T60 PolarHBondContact O-N 3.32Å; T60-A62 VanDerWaalsContact C-N 3.35Å; T60-Y63 VanDerWaalsContact O-CB 3.3Å; T60-Y63 WeakPolarHBondContact O-CB 3.36Å; T60-Y63 PolarHBondContact O-N 2.89Å; T60-F64 PolarHBondContact O-N 3.16Å
61	L	89.1	Confident	93.3	Very high	26 Å²	26	59.9 Å²	59.9	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-67.9	-38.1	176.1	172.1	59.2	0	0	0	111.1	Y14 D59 Y63 F64 L65	Y14-L61 HydrophobicContact CD1-CD2 3.96Å; Y14-L61 HydrophobicContact CD2-CD1 4.4Å; Y14-L61 HydrophobicContact CE1-CD1 4.04Å; Y14-L61 HydrophobicContact CE1-CD2 3.26Å; Y14-L61 HydrophobicContact CE1-CG 4.25Å; Y14-L61 HydrophobicContact CE2-CD1 3.52Å; Y14-L61 HydrophobicContact CE2-CD2 4.31Å; Y14-L61 VanDerWaalsContact CZ-CD2 3.5Å; Y14-L61 VanDerWaalsContact OH-CD1 3.23Å; Y14-L61 WeakPolarHBondContact OH-CD1 3.23Å; D59-L61 VanDerWaalsContact C-N 3.32Å; D59-L61 PolarHBondContact O-N 3.42Å; D59-L61 WeakPolarHBondContact OD1-CB 3.21Å; D59-L61 PolarHBondContact OD1-N 2.93Å; L61-Y63 PolarHBondContact O-N 3.16Å; L61-F64 HydrophobicContact CD1-CD1 4.37Å; L61-F64 PolarHBondContact O-N 3.32Å; L61-L65 HydrophobicContact CD1-CD1 4.17Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 3.91Å; L61-L65 HydrophobicContact CD2-CD1 4.45Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 HydrophobicContact CG-CG 4.16Å; L61-L65 WeakPolarHBondContact O-CG 3.21Å; L61-L65 PolarHBondContact O-N 3.32Å
62	A	92.4	Very high	93.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-29.5	176.2	0	0	0	0	0	112.3	L51 R54 I55 D59 T60 R66	L51-A62 HydrophobicContact CD2-CB 4.11Å; R54-A62 HydrophobicContact CB-CB 3.42Å; R54-A62 VanDerWaalsContact CB-CB 3.42Å; R54-A62 HydrophobicContact CG-CB 4.46Å; I55-A62 HydrophobicContact CG1-CB 3.85Å; D59-A62 HydrophobicContact CB-CB 3.93Å; D59-A62 PolarHBondContact O-N 3.33Å; D59-A62 PolarHBondContact OD1-N 2.98Å; D59-A62 VanDerWaalsContact OD1-N 3.1Å; T60-A62 VanDerWaalsContact C-N 3.35Å; A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 2.93Å; A62-R66 VanDerWaalsContact O-N 3.15Å
63	Y	92.8	Very high	93.1	Very high	45 Å²	45	61.7 Å²	61.7	18%	0.176	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-50.9	173.7	-155.5	-93.8	0	0	0	111.3	I55 D59 T60 L61 L65 R66 G67 Q82 E85 I86	I55-Y63 HydrophobicContact CD1-CD2 3.89Å; I55-Y63 HydrophobicContact CG1-CD2 4.12Å; I55-Y63 HydrophobicContact CG2-CD2 3.87Å; I55-Y63 HydrophobicContact CG2-CE2 4.43Å; D59-Y63 PolarHBondContact O-N 3.41Å; T60-Y63 VanDerWaalsContact O-CB 3.3Å; T60-Y63 WeakPolarHBondContact O-CB 3.36Å; T60-Y63 PolarHBondContact O-N 2.89Å; L61-Y63 PolarHBondContact O-N 3.16Å; Y63-L65 PolarHBondContact O-N 2.99Å; Y63-R66 VanDerWaalsContact CE2-NH2 3.29Å; Y63-R66 PolarHBondContact O-N 3.48Å; Y63-G67 PolarHBondContact O-N 2.97Å; Y63-G67 VanDerWaalsContact O-N 3.16Å; Y63-Q82 HydrophobicContact CE1-CB 4.25Å; Y63-Q82 WeakPolarHBondContact CE1-O 3.4Å; Y63-Q82 VanDerWaalsContact CZ-NE2 3.28Å; Y63-Q82 PolarHBondContact OH-NE2 2.84Å; Y63-E85 HydrophobicContact CE1-CB 3.67Å; Y63-E85 HydrophobicContact CE1-CG 4.47Å; Y63-E85 WeakPolarHBondContact OH-CG 3.48Å; Y63-I86 HydrophobicContact CD1-CB 4.48Å; Y63-I86 HydrophobicContact CD1-CD1 4.15Å; Y63-I86 HydrophobicContact CD1-CG1 4.25Å; Y63-I86 HydrophobicContact CD1-CG2 3.45Å; Y63-I86 VanDerWaalsContact CD1-CG2 3.45Å; Y63-I86 HydrophobicContact CE1-CG2 3.91Å; Y63-I86 HydrophobicContact CG-CG2 4.22Å
64	F	93.9	Very high	92.9	Very high	5 Å²	5	57 Å²	57	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-48.2	175	174.8	-97.9	0	0	0	112.5	L8 T60 L61 R66 G67 Q68 F83 I86 Q92 A93	L8-F64 HydrophobicContact CD2-CE1 4.25Å; L8-F64 HydrophobicContact CD2-CZ 3.57Å; T60-F64 PolarHBondContact O-N 3.16Å; L61-F64 HydrophobicContact CD1-CD1 4.37Å; L61-F64 PolarHBondContact O-N 3.32Å; F64-R66 PolarHBondContact O-N 2.94Å; F64-G67 PolarHBondContact O-N 3.05Å; F64-G67 VanDerWaalsContact O-N 3.16Å; F64-Q68 HydrophobicContact CE1-CB 4.31Å; F64-Q68 HydrophobicContact CZ-CB 4.36Å; F64-Q68 PolarHBondContact O-N 3.28Å; F64-F83 HydrophobicContact CD2-CD1 4.1Å; F64-F83 AromaticContact CD2-CE1 3.76Å; F64-F83 HydrophobicContact CD2-CE1 3.76Å; F64-F83 HydrophobicContact CE2-CD1 4.14Å; F64-F83 AromaticContact CE2-CE1 3.56Å; F64-F83 HydrophobicContact CE2-CE1 3.56Å; F64-F83 HydrophobicContact CE2-CZ 4.39Å; F64-F83 HydrophobicContact CZ-CE1 4.4Å; F64-I86 HydrophobicContact CB-CD1 3.72Å; F64-I86 HydrophobicContact CD2-CD1 4.12Å; F64-I86 HydrophobicContact CG-CD1 4.45Å; F64-Q92 HydrophobicContact CD2-CB 4.01Å; F64-Q92 HydrophobicContact CE1-CB 4.05Å; F64-Q92 HydrophobicContact CE2-CB 3.35Å; F64-Q92 HydrophobicContact CZ-CB 3.39Å; F64-Q92 HydrophobicContact CZ-CG 4.32Å; F64-A93 HydrophobicContact CD2-CB 4.15Å; F64-A93 HydrophobicContact CE2-CB 4.48Å
65	L	94.8	Very high	93	Very high	61 Å²	61	56.8 Å²	56.8	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-30.3	-179.4	-70.3	174.7	0	0	0	112.8	L51 L61 Y63 L69	L51-L65 HydrophobicContact CD1-CB 4.45Å; L51-L65 HydrophobicContact CD2-CB 3.8Å; L51-L65 HydrophobicContact CD2-CD1 4.29Å; L61-L65 HydrophobicContact CD1-CD1 4.17Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 3.91Å; L61-L65 HydrophobicContact CD2-CD1 4.45Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 HydrophobicContact CG-CG 4.16Å; L61-L65 WeakPolarHBondContact O-CG 3.21Å; L61-L65 PolarHBondContact O-N 3.32Å; Y63-L65 PolarHBondContact O-N 2.99Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.21Å
66	R	95.6	Very high	93.2	Very high	39 Å²	39	58.9 Å²	58.9	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-70.9	-45.6	174.9	-174.4	173	63.4	166.9	-0	111.5	L48 L51 I55 A62 Y63 F64 Q68 L69 Y70 Q82	L48-R66 HydrophobicContact CD2-CG 3.85Å; L51-R66 HydrophobicContact CB-CB 4.3Å; L51-R66 HydrophobicContact CD1-CB 3.99Å; I55-R66 HydrophobicContact CD1-CB 4.37Å; I55-R66 VanDerWaalsContact CD1-CZ 3.42Å; A62-R66 WeakPolarHBondContact O-CB 3.35Å; A62-R66 PolarHBondContact O-N 2.93Å; A62-R66 VanDerWaalsContact O-N 3.15Å; Y63-R66 VanDerWaalsContact CE2-NH2 3.29Å; Y63-R66 PolarHBondContact O-N 3.48Å; F64-R66 PolarHBondContact O-N 2.94Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 3Å; R66-L69 PolarHBondContact O-N 3.11Å; R66-Y70 HydrophobicContact CG-CD2 4.31Å; R66-Y70 HydrophobicContact CG-CE1 4.24Å; R66-Y70 HydrophobicContact CG-CE2 3.77Å; R66-Y70 PolarHBondContact O-N 2.51Å; R66-Q82 VanDerWaalsContact CZ-OE1 3.24Å
67	G	96	Very high	93.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-41.2	172.4	0	0	0	0	0	112	Y63 F64 L69 Y70 F71 A79 F83	Y63-G67 PolarHBondContact O-N 2.97Å; Y63-G67 VanDerWaalsContact O-N 3.16Å; F64-G67 PolarHBondContact O-N 3.05Å; F64-G67 VanDerWaalsContact O-N 3.16Å; G67-L69 PolarHBondContact O-N 2.98Å; G67-Y70 PolarHBondContact O-N 3.43Å; G67-F71 PolarHBondContact O-N 3.04Å; G67-A79 WeakPolarHBondContact O-CB 3.41Å; G67-F83 WeakPolarHBondContact O-CZ 3.41Å
68	Q	95.7	Very high	93.5	Very high	26 Å²	26	53.9 Å²	53.9	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-40.6	175.9	-175	60.9	25.2	0	0	112.8	F64 R66 F71 E72 F83	F64-Q68 HydrophobicContact CE1-CB 4.31Å; F64-Q68 HydrophobicContact CZ-CB 4.36Å; F64-Q68 PolarHBondContact O-N 3.28Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 3Å; Q68-F71 WeakPolarHBondContact O-CB 3.24Å; Q68-F71 PolarHBondContact O-N 2.84Å; Q68-E72 PolarHBondContact NE2-OE1 3.45Å; Q68-E72 WeakPolarHBondContact O-CG 3.47Å; Q68-E72 PolarHBondContact O-N 3.44Å; Q68-F83 HydrophobicContact CB-CZ 4.5Å
69	L	95.3	Very high	94	Very high	26 Å²	26	51 Å²	51	14%	0.136	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-44.8	175.5	180	59.2	0	0	0	111.2	V44 A47 L48 L51 L65 R66 G67 F71 E72 E73	V44-L69 HydrophobicContact CG1-CD2 4.43Å; A47-L69 HydrophobicContact CB-CD2 3.86Å; L48-L69 HydrophobicContact CD2-CD2 3.69Å; L48-L69 HydrophobicContact CD2-CG 4.44Å; L48-L69 HydrophobicContact CG-CD2 3.84Å; L51-L69 HydrophobicContact CD1-CD2 4.32Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.21Å; R66-L69 PolarHBondContact O-N 3.11Å; G67-L69 PolarHBondContact O-N 2.98Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 3.18Å; L69-E73 HydrophobicContact CD1-CG 4.18Å; L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.3Å
70	Y	96.9	Very high	94.4	Very high	39 Å²	39	49.4 Å²	49.4	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-43.8	173.9	-65.3	-26.5	0	0	0	111.9	L48 R66 G67 E72 E73 G74 W75 E78 Q82	L48-Y70 HydrophobicContact CD1-CE1 4.1Å; L48-Y70 HydrophobicContact CD2-CD1 4.02Å; L48-Y70 HydrophobicContact CD2-CE1 3.34Å; L48-Y70 HydrophobicContact CG-CE1 4.38Å; R66-Y70 HydrophobicContact CG-CD2 4.31Å; R66-Y70 HydrophobicContact CG-CE1 4.24Å; R66-Y70 HydrophobicContact CG-CE2 3.77Å; R66-Y70 PolarHBondContact O-N 2.51Å; G67-Y70 PolarHBondContact O-N 3.43Å; Y70-E72 VanDerWaalsContact C-N 3.34Å; Y70-E72 PolarHBondContact O-N 3.15Å; Y70-E73 PolarHBondContact O-N 2.83Å; Y70-G74 PolarHBondContact O-N 2.87Å; Y70-G74 VanDerWaalsContact O-N 3.1Å; Y70-W75 HydrophobicContact CD1-CD2 4.45Å; Y70-W75 AromaticContact CD1-CE3 3.38Å; Y70-W75 HydrophobicContact CD1-CE3 3.38Å; Y70-W75 AromaticContact CD1-CZ3 3.87Å; Y70-W75 HydrophobicContact CD1-CZ3 3.87Å; Y70-W75 AromaticContact CE1-CE3 3.71Å; Y70-W75 HydrophobicContact CE1-CE3 3.71Å; Y70-W75 AromaticContact CE1-CZ3 3.84Å; Y70-W75 HydrophobicContact CE1-CZ3 3.84Å; Y70-W75 HydrophobicContact CG-CE3 4.36Å; Y70-W75 PolarHBondContact O-N 3Å; Y70-E78 HydrophobicContact CD2-CB 3.57Å; Y70-E78 HydrophobicContact CE2-CB 3.82Å; Y70-E78 HydrophobicContact CG-CB 4.01Å; Y70-Q82 HydrophobicContact CD2-CG 3.82Å; Y70-Q82 HydrophobicContact CE2-CG 3.79Å
71	F	95.2	Very high	94.9	Very high	35 Å²	35	50.4 Å²	50.4	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-41.8	176.9	-175.7	-85.3	0	0	0	112.4	G67 Q68 L69 G74 Y76 A79 F83 M100 L105	G67-F71 PolarHBondContact O-N 3.04Å; Q68-F71 WeakPolarHBondContact O-CB 3.24Å; Q68-F71 PolarHBondContact O-N 2.84Å; L69-F71 VanDerWaalsContact C-N 3.29Å; L69-F71 PolarHBondContact O-N 2.92Å; F71-G74 PolarHBondContact O-N 2.84Å; F71-Y76 AromaticContact CD2-CD1 3.92Å; F71-Y76 HydrophobicContact CD2-CD1 3.92Å; F71-Y76 HydrophobicContact CD2-CE1 4.01Å; F71-Y76 HydrophobicContact CE2-CD1 4.19Å; F71-Y76 HydrophobicContact CE2-CE1 4.05Å; F71-Y76 HydrophobicContact CG-CD1 4.47Å; F71-Y76 HydrophobicContact CG-CE1 4.32Å; F71-Y76 HydrophobicContact CZ-CE1 4.39Å; F71-Y76 WeakPolarHBondContact O-CE1 3.3Å; F71-A79 HydrophobicContact CB-CB 3.97Å; F71-F83 HydrophobicContact CB-CE2 4.33Å; F71-F83 HydrophobicContact CD2-CE2 4.49Å; F71-M100 HydrophobicContact CD2-CE 4.42Å; F71-M100 HydrophobicContact CD2-CG 4.05Å; F71-M100 HydrophobicContact CD2-SD 3.92Å; F71-M100 HydrophobicContact CE2-CG 3.71Å; F71-M100 HydrophobicContact CE2-SD 4.21Å; F71-L105 HydrophobicContact CE2-CD1 3.74Å; F71-L105 HydrophobicContact CZ-CD1 3.89Å
72	E	92.1	Very high	95.2	Very high	132 Å²	132	49.8 Å²	49.8	62%	0.617	23%	0.232	S	C	*	.	H	α-helix	trans	-70.5	-33	179.5	-73.9	173.4	-169.4	0	0	113	Q68 L69 Y70 G74	Q68-E72 PolarHBondContact NE2-OE1 3.45Å; Q68-E72 WeakPolarHBondContact O-CG 3.47Å; Q68-E72 PolarHBondContact O-N 3.44Å; L69-E72 PolarHBondContact O-N 3.18Å; Y70-E72 VanDerWaalsContact C-N 3.34Å; Y70-E72 PolarHBondContact O-N 3.15Å; E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 3.16Å
73	E	93.6	Very high	95.4	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.262	23%	0.232	S	C	.	.	H	α-helix	trans	-79.9	-4.4	173.7	-63.9	-58.6	134.9	0	0	113.3	H40 V44 L69 Y70 W75	H40-E73 IonicContact CD2-OE2 3.95Å; H40-E73 IonicContact CE1-OE1 2.87Å; H40-E73 PolarHBondContact CE1-OE1 3.24Å; H40-E73 IonicContact CE1-OE2 2.84Å; H40-E73 IonicContact NE2-OE1 2.66Å; H40-E73 PolarHBondContact NE2-OE1 2.93Å; H40-E73 IonicContact NE2-OE2 2.75Å; H40-E73 PolarHBondContact NE2-OE2 3.06Å; V44-E73 HydrophobicContact CG1-CG 4.12Å; V44-E73 HydrophobicContact CG2-CG 4.19Å; V44-E73 WeakPolarHBondContact CG2-OE1 3.39Å; L69-E73 HydrophobicContact CD1-CG 4.18Å; L69-E73 WeakPolarHBondContact O-CG 3.46Å; L69-E73 PolarHBondContact O-N 3.3Å; Y70-E73 PolarHBondContact O-N 2.83Å; E73-W75 VanDerWaalsContact C-N 3.33Å; E73-W75 HydrophobicContact CB-CD2 4.1Å; E73-W75 HydrophobicContact CB-CG 4.26Å; E73-W75 HydrophobicContact CB-CZ2 4.38Å
74	G	92.8	Very high	95.6	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	11.3	-178.9	0	0	0	0	0	114.7	Y70 F71 E72 Y76	Y70-G74 PolarHBondContact O-N 2.87Å; Y70-G74 VanDerWaalsContact O-N 3.1Å; F71-G74 PolarHBondContact O-N 2.84Å; E72-G74 VanDerWaalsContact C-N 3.25Å; E72-G74 PolarHBondContact O-N 3.16Å; G74-Y76 WeakPolarHBondContact O-CD2 3.07Å; G74-Y76 PolarHBondContact O-N 3.29Å
75	W	96.8	Very high	95.6	Very high	97 Å²	97	57.3 Å²	57.3	37%	0.367	27%	0.269	S	S	.	.			trans	-82.2	67.2	174.6	-56.4	-9.9	0	0	0	109.2	V44 L48 Y70 E73 E77 E78 A79	V44-W75 HydrophobicContact CG1-CH2 3.95Å; L48-W75 HydrophobicContact CD1-CH2 4.13Å; L48-W75 HydrophobicContact CD1-CZ3 3.7Å; Y70-W75 HydrophobicContact CD1-CD2 4.45Å; Y70-W75 AromaticContact CD1-CE3 3.38Å; Y70-W75 HydrophobicContact CD1-CE3 3.38Å; Y70-W75 AromaticContact CD1-CZ3 3.87Å; Y70-W75 HydrophobicContact CD1-CZ3 3.87Å; Y70-W75 AromaticContact CE1-CE3 3.71Å; Y70-W75 HydrophobicContact CE1-CE3 3.71Å; Y70-W75 AromaticContact CE1-CZ3 3.84Å; Y70-W75 HydrophobicContact CE1-CZ3 3.84Å; Y70-W75 HydrophobicContact CG-CE3 4.36Å; Y70-W75 PolarHBondContact O-N 3Å; E73-W75 VanDerWaalsContact C-N 3.33Å; E73-W75 HydrophobicContact CB-CD2 4.1Å; E73-W75 HydrophobicContact CB-CG 4.26Å; E73-W75 HydrophobicContact CB-CZ2 4.38Å; W75-E77 PolarHBondContact O-N 3.09Å; W75-E78 WeakPolarHBondContact CB-OE2 3.39Å; W75-E78 PolarHBondContact O-N 2.96Å; W75-A79 WeakPolarHBondContact O-CB 3.29Å; W75-A79 PolarHBondContact O-N 2.87Å
76	Y	97	Very high	95.6	Very high	82 Å²	82	55.3 Å²	55.3	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-29.9	-166.8	-62.1	-56	0	0	0	113.4	F71 G74 A79 L80 M100 L105 G106	F71-Y76 AromaticContact CD2-CD1 3.92Å; F71-Y76 HydrophobicContact CD2-CD1 3.92Å; F71-Y76 HydrophobicContact CD2-CE1 4.01Å; F71-Y76 HydrophobicContact CE2-CD1 4.19Å; F71-Y76 HydrophobicContact CE2-CE1 4.05Å; F71-Y76 HydrophobicContact CG-CD1 4.47Å; F71-Y76 HydrophobicContact CG-CE1 4.32Å; F71-Y76 HydrophobicContact CZ-CE1 4.39Å; F71-Y76 WeakPolarHBondContact O-CE1 3.3Å; G74-Y76 WeakPolarHBondContact O-CD2 3.07Å; G74-Y76 PolarHBondContact O-N 3.29Å; Y76-A79 PolarHBondContact O-N 3.19Å; Y76-L80 WeakPolarHBondContact O-CB 3.37Å; Y76-L80 PolarHBondContact O-N 2.77Å; Y76-M100 WeakPolarHBondContact O-CE 3.26Å; Y76-L105 HydrophobicContact CD1-CB 4.09Å; Y76-L105 HydrophobicContact CD2-CB 4.39Å; Y76-L105 HydrophobicContact CE1-CD1 4.41Å; Y76-L105 HydrophobicContact CE2-CD2 4.25Å; Y76-L105 HydrophobicContact CG-CB 4.04Å; Y76-G106 VanDerWaalsContact CB-CA 3.44Å; Y76-G106 VanDerWaalsContact CB-N 3.34Å
77	E	97.1	Very high	95.4	Very high	136 Å²	136	55.8 Å²	55.8	64%	0.636	26%	0.262	S	S	*	.	H	α-helix	trans	-66	-48.2	177.3	-66.6	-179.6	-178.9	0	0	110	W75 A79 L80 E81	W75-E77 PolarHBondContact O-N 3.09Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.42Å; E77-L80 WeakPolarHBondContact O-CB 3.12Å; E77-L80 PolarHBondContact O-N 3.01Å; E77-L80 VanDerWaalsContact O-N 3.15Å; E77-E81 PolarHBondContact O-N 3.37Å; E77-E81 VanDerWaalsContact O-N 3.08Å
78	E	96.6	Very high	95.1	Very high	81 Å²	81	63 Å²	63	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-36.3	177.2	-60	90.2	152.5	0	0	111.9	Y70 W75 L80 Q82	Y70-E78 HydrophobicContact CD2-CB 3.57Å; Y70-E78 HydrophobicContact CE2-CB 3.82Å; Y70-E78 HydrophobicContact CG-CB 4.01Å; W75-E78 WeakPolarHBondContact CB-OE2 3.39Å; W75-E78 PolarHBondContact O-N 2.96Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-Q82 VanDerWaalsContact O-CG 3.23Å; E78-Q82 WeakPolarHBondContact O-CG 3.35Å; E78-Q82 PolarHBondContact O-N 3.21Å; E78-Q82 VanDerWaalsContact O-N 3.14Å
79	A	97.4	Very high	94.8	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-42.5	173.5	0	0	0	0	0	111.5	G67 F71 W75 Y76 E77 Q82 F83 M100	G67-A79 WeakPolarHBondContact O-CB 3.41Å; F71-A79 HydrophobicContact CB-CB 3.97Å; W75-A79 WeakPolarHBondContact O-CB 3.29Å; W75-A79 PolarHBondContact O-N 2.87Å; Y76-A79 PolarHBondContact O-N 3.19Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.42Å; A79-Q82 PolarHBondContact O-N 2.85Å; A79-F83 HydrophobicContact CB-CD2 4.48Å; A79-F83 HydrophobicContact CB-CE2 4.09Å; A79-F83 WeakPolarHBondContact O-CD2 3.41Å; A79-F83 WeakPolarHBondContact O-CG 3.46Å; A79-F83 PolarHBondContact O-N 3.26Å; A79-M100 HydrophobicContact CB-CE 4.03Å
80	L	97.1	Very high	94.7	Very high	14 Å²	14	70.5 Å²	70.5	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-52.2	-178.9	-169.2	79.9	0	0	0	110.2	Y76 E77 E78 Q82 F83 E84 L97 M100 Y101 T107	Y76-L80 WeakPolarHBondContact O-CB 3.37Å; Y76-L80 PolarHBondContact O-N 2.77Å; E77-L80 WeakPolarHBondContact O-CB 3.12Å; E77-L80 PolarHBondContact O-N 3.01Å; E77-L80 VanDerWaalsContact O-N 3.15Å; E78-L80 VanDerWaalsContact C-N 3.34Å; L80-Q82 VanDerWaalsContact C-N 3.25Å; L80-Q82 PolarHBondContact O-N 2.82Å; L80-F83 PolarHBondContact O-N 3.26Å; L80-E84 HydrophobicContact CG-CG 4.44Å; L80-E84 WeakPolarHBondContact O-CG 3.34Å; L80-E84 PolarHBondContact O-N 2.9Å; L80-L97 HydrophobicContact CD1-CD2 3.7Å; L80-L97 HydrophobicContact CG-CD2 4.4Å; L80-M100 HydrophobicContact CB-CE 3.63Å; L80-M100 HydrophobicContact CD1-CB 4.02Å; L80-M100 HydrophobicContact CD1-CE 3.78Å; L80-M100 HydrophobicContact CD1-SD 4.14Å; L80-M100 HydrophobicContact CG-CE 4.34Å; L80-Y101 HydrophobicContact CD1-CE2 4.17Å; L80-T107 HydrophobicContact CD2-CG2 4.44Å
81	E	95.9	Very high	94.6	Very high	126 Å²	126	70.9 Å²	70.9	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-54.9	-42.9	177	-69.6	-178.9	174.2	0	0	111.5	E77 F83 E85	E77-E81 PolarHBondContact O-N 3.37Å; E77-E81 VanDerWaalsContact O-N 3.08Å; E81-F83 PolarHBondContact O-N 2.95Å; E81-E85 VanDerWaalsContact O-CG 3.27Å; E81-E85 WeakPolarHBondContact O-CG 3.15Å; E81-E85 PolarHBondContact O-N 2.87Å
82	Q	94.8	Very high	94.6	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-41.3	175.9	-72.3	-65.4	-76.8	0	0	112.3	Y63 R66 Y70 E78 A79 L80	Y63-Q82 HydrophobicContact CE1-CB 4.25Å; Y63-Q82 WeakPolarHBondContact CE1-O 3.4Å; Y63-Q82 VanDerWaalsContact CZ-NE2 3.28Å; Y63-Q82 PolarHBondContact OH-NE2 2.84Å; R66-Q82 VanDerWaalsContact CZ-OE1 3.24Å; Y70-Q82 HydrophobicContact CD2-CG 3.82Å; Y70-Q82 HydrophobicContact CE2-CG 3.79Å; E78-Q82 VanDerWaalsContact O-CG 3.23Å; E78-Q82 WeakPolarHBondContact O-CG 3.35Å; E78-Q82 PolarHBondContact O-N 3.21Å; E78-Q82 VanDerWaalsContact O-N 3.14Å; A79-Q82 PolarHBondContact O-N 2.85Å; L80-Q82 VanDerWaalsContact C-N 3.25Å; L80-Q82 PolarHBondContact O-N 2.82Å
83	F	96.9	Very high	94.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-76	-35.7	-176.8	-63.4	-44.8	0	0	0	112.7	F64 G67 Q68 F71 A79 L80 E81 E85 I86 E87 A93 Q96 L97 M100	F64-F83 HydrophobicContact CD2-CD1 4.1Å; F64-F83 AromaticContact CD2-CE1 3.76Å; F64-F83 HydrophobicContact CD2-CE1 3.76Å; F64-F83 HydrophobicContact CE2-CD1 4.14Å; F64-F83 AromaticContact CE2-CE1 3.56Å; F64-F83 HydrophobicContact CE2-CE1 3.56Å; F64-F83 HydrophobicContact CE2-CZ 4.39Å; F64-F83 HydrophobicContact CZ-CE1 4.4Å; G67-F83 WeakPolarHBondContact O-CZ 3.41Å; Q68-F83 HydrophobicContact CB-CZ 4.5Å; F71-F83 HydrophobicContact CB-CE2 4.33Å; F71-F83 HydrophobicContact CD2-CE2 4.49Å; A79-F83 HydrophobicContact CB-CD2 4.48Å; A79-F83 HydrophobicContact CB-CE2 4.09Å; A79-F83 WeakPolarHBondContact O-CD2 3.41Å; A79-F83 WeakPolarHBondContact O-CG 3.46Å; A79-F83 PolarHBondContact O-N 3.26Å; L80-F83 PolarHBondContact O-N 3.26Å; E81-F83 PolarHBondContact O-N 2.95Å; F83-E85 VanDerWaalsContact C-N 3.32Å; F83-E85 PolarHBondContact O-N 3.37Å; F83-I86 CarbonylContact O-C 3.51Å; F83-I86 PolarHBondContact O-N 3.06Å; F83-E87 PolarHBondContact O-N 3.39Å; F83-A93 HydrophobicContact CB-CB 4.09Å; F83-A93 HydrophobicContact CD1-CB 3.9Å; F83-A93 HydrophobicContact CG-CB 4.36Å; F83-Q96 HydrophobicContact CD2-CB 3.78Å; F83-Q96 HydrophobicContact CE1-CB 4.44Å; F83-Q96 HydrophobicContact CE1-CG 4.47Å; F83-Q96 HydrophobicContact CE2-CB 3.64Å; F83-Q96 HydrophobicContact CE2-CG 4.07Å; F83-Q96 HydrophobicContact CG-CB 4.24Å; F83-Q96 HydrophobicContact CZ-CB 3.98Å; F83-Q96 HydrophobicContact CZ-CG 3.96Å; F83-L97 HydrophobicContact CB-CD1 4.26Å; F83-L97 HydrophobicContact CB-CD2 3.66Å; F83-L97 HydrophobicContact CB-CG 3.71Å; F83-M100 HydrophobicContact CD2-SD 3.63Å; F83-M100 HydrophobicContact CE2-SD 3.89Å
84	E	95.9	Very high	95	Very high	68 Å²	68	61.3 Å²	61.3	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-41.3	177.7	-70.1	-171.9	143.7	0	0	112.1	L80 I86 E87 L97 Y101 K113	L80-E84 HydrophobicContact CG-CG 4.44Å; L80-E84 WeakPolarHBondContact O-CG 3.34Å; L80-E84 PolarHBondContact O-N 2.9Å; E84-I86 PolarHBondContact O-N 3.08Å; E84-I86 VanDerWaalsContact O-N 3.11Å; E84-E87 WeakPolarHBondContact O-CG 3.23Å; E84-E87 PolarHBondContact O-N 3.12Å; E84-L97 HydrophobicContact CG-CD1 4.21Å; E84-L97 HydrophobicContact CG-CD2 3.66Å; E84-Y101 PolarHBondContact OE1-OH 3.11Å; E84-K113 IonicContact OE1-NZ 3.39Å
85	E	94.8	Very high	95.2	Very high	140 Å²	140	59.8 Å²	59.8	65%	0.654	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-22.7	178.6	-75.4	-70.1	155.2	0	0	114.3	Y63 E81 F83	Y63-E85 HydrophobicContact CE1-CB 3.67Å; Y63-E85 HydrophobicContact CE1-CG 4.47Å; Y63-E85 WeakPolarHBondContact OH-CG 3.48Å; E81-E85 VanDerWaalsContact O-CG 3.27Å; E81-E85 WeakPolarHBondContact O-CG 3.15Å; E81-E85 PolarHBondContact O-N 2.87Å; F83-E85 VanDerWaalsContact C-N 3.32Å; F83-E85 PolarHBondContact O-N 3.37Å
86	I	94.2	Very high	95.2	Very high	19 Å²	19	55.3 Å²	55.3	10%	0.097	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	9.8	-178.9	61.5	166.9	0	0	0	113.6	Y63 F64 F83 E84 E88 K89 D90 A93	Y63-I86 HydrophobicContact CD1-CB 4.48Å; Y63-I86 HydrophobicContact CD1-CD1 4.15Å; Y63-I86 HydrophobicContact CD1-CG1 4.25Å; Y63-I86 HydrophobicContact CD1-CG2 3.45Å; Y63-I86 VanDerWaalsContact CD1-CG2 3.45Å; Y63-I86 HydrophobicContact CE1-CG2 3.91Å; Y63-I86 HydrophobicContact CG-CG2 4.22Å; F64-I86 HydrophobicContact CB-CD1 3.72Å; F64-I86 HydrophobicContact CD2-CD1 4.12Å; F64-I86 HydrophobicContact CG-CD1 4.45Å; F83-I86 CarbonylContact O-C 3.51Å; F83-I86 PolarHBondContact O-N 3.06Å; E84-I86 PolarHBondContact O-N 3.08Å; E84-I86 VanDerWaalsContact O-N 3.11Å; I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.39Å; I86-K89 PolarHBondContact O-N 3.37Å; I86-D90 HydrophobicContact CB-CB 4.5Å; I86-D90 HydrophobicContact CD1-CB 4.03Å; I86-D90 HydrophobicContact CG1-CB 4.41Å; I86-D90 PolarHBondContact O-N 2.77Å; I86-A93 HydrophobicContact CD1-CB 3.7Å; I86-A93 HydrophobicContact CG1-CB 3.56Å
87	E	92.4	Very high	95.3	Very high	49 Å²	49	51.4 Å²	51.4	23%	0.229	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.9	-169.7	75.1	174.4	173.4	0	0	114	F83 E84 K89 T94 L97 Y117	F83-E87 PolarHBondContact O-N 3.39Å; E84-E87 WeakPolarHBondContact O-CG 3.23Å; E84-E87 PolarHBondContact O-N 3.12Å; E87-K89 VanDerWaalsContact C-N 3.33Å; E87-T94 PolarHBondContact O-OG1 3.01Å; E87-L97 HydrophobicContact CB-CD1 3.48Å; E87-L97 VanDerWaalsContact CB-CD1 3.48Å; E87-L97 HydrophobicContact CG-CD1 4.49Å; E87-L97 WeakPolarHBondContact OE2-CD1 3.28Å; E87-Y117 WeakPolarHBondContact OE2-CE1 3.33Å; E87-Y117 PolarHBondContact OE2-OH 2.99Å
88	E	89.2	Confident	95.3	Very high	150 Å²	150	45 Å²	45	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-17.1	-179.3	-68.6	-61.2	141.6	0	0	112.5	I86	I86-E88 VanDerWaalsContact C-N 3.28Å; I86-E88 PolarHBondContact O-N 3.39Å
89	K	89.4	Confident	95.3	Very high	180 Å²	180	41.3 Å²	41.3	78%	0.783	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-24.8	-173	-63.5	175.1	-173.9	164.8	0	112.7	I86 E87	I86-K89 PolarHBondContact O-N 3.37Å; E87-K89 VanDerWaalsContact C-N 3.33Å
90	D	92.8	Very high	95.3	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.16	19%	0.193	C	C	.	.			trans	-129.7	115.8	-173.9	-163.8	-64.8	0	0	0	112.5	I86 Q92 A93 T94	I86-D90 HydrophobicContact CB-CB 4.5Å; I86-D90 HydrophobicContact CD1-CB 4.03Å; I86-D90 HydrophobicContact CG1-CB 4.41Å; I86-D90 PolarHBondContact O-N 2.77Å; D90-Q92 VanDerWaalsContact C-N 3.29Å; D90-Q92 PolarHBondContact O-N 3.49Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.18Å; D90-Q92 VanDerWaalsContact OD1-CB 3.23Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.25Å; D90-Q92 PolarHBondContact OD1-N 3.26Å; D90-A93 HydrophobicContact CB-CB 4.09Å; D90-A93 WeakPolarHBondContact O-CB 3.32Å; D90-A93 PolarHBondContact O-N 3.42Å; D90-A93 PolarHBondContact OD1-N 3.5Å; D90-T94 PolarHBondContact O-N 3.29Å; D90-T94 PolarHBondContact O-OG1 3.48Å
91	H	95	Very high	95.4	Very high	47 Å²	47	41.6 Å²	41.6	22%	0.218	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-25.2	-178.2	-65.5	75	0	0	0	112.8	A93 Y95 I121 S124 A129 L132	H91-A93 VanDerWaalsContact C-N 3.35Å; H91-Y95 WeakPolarHBondContact O-CB 3.45Å; H91-Y95 PolarHBondContact O-N 3.05Å; H91-I121 HydrophobicContact CB-CD1 3.8Å; H91-I121 WeakPolarHBondContact O-CD1 3.48Å; H91-S124 PolarHBondContact CD2-OG 3.29Å; H91-S124 PolarHBondContact NE2-OG 3.19Å; H91-A129 HydrophobicContact CB-CB 4.31Å; H91-L132 VanDerWaalsContact C-CD1 3.49Å; H91-L132 HydrophobicContact CB-CD1 3.77Å; H91-L132 VanDerWaalsContact O-CD1 3.26Å; H91-L132 WeakPolarHBondContact O-CD1 3.34Å
92	Q	95.1	Very high	95.5	Very high	11 Å²	11	36 Å²	36	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-38.3	174.4	-55.9	-170.4	-103.7	0	0	110.1	L8 N11 F64 D90 Y95 Q96 L132	L8-Q92 HydrophobicContact CD1-CB 4.06Å; L8-Q92 HydrophobicContact CD1-CG 4.43Å; N11-Q92 PolarHBondContact ND2-OE1 3.44Å; F64-Q92 HydrophobicContact CD2-CB 4.01Å; F64-Q92 HydrophobicContact CE1-CB 4.05Å; F64-Q92 HydrophobicContact CE2-CB 3.35Å; F64-Q92 HydrophobicContact CZ-CB 3.39Å; F64-Q92 HydrophobicContact CZ-CG 4.32Å; D90-Q92 VanDerWaalsContact C-N 3.29Å; D90-Q92 PolarHBondContact O-N 3.49Å; D90-Q92 WeakPolarHBondContact OD1-CA 3.18Å; D90-Q92 VanDerWaalsContact OD1-CB 3.23Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.25Å; D90-Q92 PolarHBondContact OD1-N 3.26Å; Q92-Y95 PolarHBondContact O-N 3.18Å; Q92-Q96 WeakPolarHBondContact O-CG 3.15Å; Q92-Q96 PolarHBondContact O-N 3.08Å; Q92-L132 HydrophobicContact CG-CD1 4.28Å; Q92-L132 HydrophobicContact CG-CD2 4.44Å
93	A	96	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-47.6	172.3	0	0	0	0	0	111.4	F64 F83 I86 D90 H91 Y95 Q96 L97	F64-A93 HydrophobicContact CD2-CB 4.15Å; F64-A93 HydrophobicContact CE2-CB 4.48Å; F83-A93 HydrophobicContact CB-CB 4.09Å; F83-A93 HydrophobicContact CD1-CB 3.9Å; F83-A93 HydrophobicContact CG-CB 4.36Å; I86-A93 HydrophobicContact CD1-CB 3.7Å; I86-A93 HydrophobicContact CG1-CB 3.56Å; D90-A93 HydrophobicContact CB-CB 4.09Å; D90-A93 WeakPolarHBondContact O-CB 3.32Å; D90-A93 PolarHBondContact O-N 3.42Å; D90-A93 PolarHBondContact OD1-N 3.5Å; H91-A93 VanDerWaalsContact C-N 3.35Å; A93-Y95 VanDerWaalsContact C-N 3.27Å; A93-Y95 PolarHBondContact O-N 3.3Å; A93-Q96 PolarHBondContact O-N 3.1Å; A93-Q96 VanDerWaalsContact O-N 3.09Å; A93-L97 WeakPolarHBondContact O-CG 3.34Å; A93-L97 PolarHBondContact O-N 3.03Å
94	T	97.1	Very high	95.4	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.074	19%	0.192	C	C	.	.	H	α-helix	trans	-54.4	-44.1	174.6	-39.4	0	0	0	0	111.6	E87 D90 G98 Y117 K120 I121	E87-T94 PolarHBondContact O-OG1 3.01Å; D90-T94 PolarHBondContact O-N 3.29Å; D90-T94 PolarHBondContact O-OG1 3.48Å; T94-G98 PolarHBondContact O-N 3.37Å; T94-Y117 HydrophobicContact CG2-CD1 3.53Å; T94-Y117 HydrophobicContact CG2-CE1 4.24Å; T94-Y117 HydrophobicContact CG2-CG 4.41Å; T94-K120 HydrophobicContact CG2-CB 4.49Å; T94-I121 HydrophobicContact CG2-CD1 4.32Å; T94-I121 HydrophobicContact CG2-CG1 4.41Å
95	Y	97.7	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-46	176.4	172.7	-88.9	0	0	0	112	E6 L8 H91 Q92 A93 G98 V99 M118 L132 A135 A136 N139	E6-Y95 PolarHBondContact O-OH 3.1Å; L8-Y95 HydrophobicContact CB-CD1 4.23Å; L8-Y95 HydrophobicContact CB-CE1 3.99Å; L8-Y95 HydrophobicContact CD1-CD1 3.45Å; L8-Y95 VanDerWaalsContact CD1-CD1 3.45Å; L8-Y95 HydrophobicContact CD1-CE1 3.98Å; L8-Y95 HydrophobicContact CD1-CG 4.2Å; L8-Y95 HydrophobicContact CG-CD1 4.45Å; H91-Y95 WeakPolarHBondContact O-CB 3.45Å; H91-Y95 PolarHBondContact O-N 3.05Å; Q92-Y95 PolarHBondContact O-N 3.18Å; A93-Y95 VanDerWaalsContact C-N 3.27Å; A93-Y95 PolarHBondContact O-N 3.3Å; Y95-G98 WeakPolarHBondContact O-CA 3.42Å; Y95-G98 PolarHBondContact O-N 3.03Å; Y95-G98 VanDerWaalsContact O-N 3.08Å; Y95-V99 HydrophobicContact CD1-CG2 4.4Å; Y95-V99 HydrophobicContact CE1-CG2 3.82Å; Y95-V99 PolarHBondContact O-N 3.13Å; Y95-V99 VanDerWaalsContact O-N 3.07Å; Y95-M118 HydrophobicContact CD2-CE 4.42Å; Y95-M118 HydrophobicContact CD2-SD 4.07Å; Y95-M118 HydrophobicContact CE2-CE 4.22Å; Y95-M118 HydrophobicContact CE2-SD 4.04Å; Y95-L132 HydrophobicContact CG-CD2 4.38Å; Y95-A135 HydrophobicContact CE2-CB 3.87Å; Y95-A135 WeakPolarHBondContact OH-CB 3.5Å; Y95-A136 HydrophobicContact CD2-CB 4.23Å; Y95-A136 HydrophobicContact CE2-CB 4.27Å; Y95-N139 PolarHBondContact OH-ND2 3.37Å; Y95-N139 VanDerWaalsContact OH-ND2 3.13Å
96	Q	97.7	Very high	95.3	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-40.2	179.9	-73.3	-68.9	50	0	0	112.1	L8 F83 Q92 A93 G98 V99 M100	L8-Q96 HydrophobicContact CD1-CG 4.4Å; L8-Q96 HydrophobicContact CD2-CG 4.32Å; F83-Q96 HydrophobicContact CD2-CB 3.78Å; F83-Q96 HydrophobicContact CE1-CB 4.44Å; F83-Q96 HydrophobicContact CE1-CG 4.47Å; F83-Q96 HydrophobicContact CE2-CB 3.64Å; F83-Q96 HydrophobicContact CE2-CG 4.07Å; F83-Q96 HydrophobicContact CG-CB 4.24Å; F83-Q96 HydrophobicContact CZ-CB 3.98Å; F83-Q96 HydrophobicContact CZ-CG 3.96Å; Q92-Q96 WeakPolarHBondContact O-CG 3.15Å; Q92-Q96 PolarHBondContact O-N 3.08Å; A93-Q96 PolarHBondContact O-N 3.1Å; A93-Q96 VanDerWaalsContact O-N 3.09Å; Q96-G98 VanDerWaalsContact C-N 3.25Å; Q96-G98 PolarHBondContact O-N 2.95Å; Q96-V99 PolarHBondContact O-N 2.79Å; Q96-V99 VanDerWaalsContact O-N 3.11Å; Q96-M100 WeakPolarHBondContact O-CB 3.25Å; Q96-M100 VanDerWaalsContact O-CG 3.24Å; Q96-M100 WeakPolarHBondContact O-CG 3.35Å; Q96-M100 PolarHBondContact O-N 3.1Å
97	L	97.7	Very high	95.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-41.3	170.5	-69.2	173	0	0	0	111.4	L80 F83 E84 E87 A93 V99 M100 Y101 Y117	L80-L97 HydrophobicContact CD1-CD2 3.7Å; L80-L97 HydrophobicContact CG-CD2 4.4Å; F83-L97 HydrophobicContact CB-CD1 4.26Å; F83-L97 HydrophobicContact CB-CD2 3.66Å; F83-L97 HydrophobicContact CB-CG 3.71Å; E84-L97 HydrophobicContact CG-CD1 4.21Å; E84-L97 HydrophobicContact CG-CD2 3.66Å; E87-L97 HydrophobicContact CB-CD1 3.48Å; E87-L97 VanDerWaalsContact CB-CD1 3.48Å; E87-L97 HydrophobicContact CG-CD1 4.49Å; E87-L97 WeakPolarHBondContact OE2-CD1 3.28Å; A93-L97 WeakPolarHBondContact O-CG 3.34Å; A93-L97 PolarHBondContact O-N 3.03Å; L97-V99 VanDerWaalsContact C-N 3.32Å; L97-V99 PolarHBondContact O-N 3.33Å; L97-M100 PolarHBondContact O-N 2.9Å; L97-Y101 HydrophobicContact CB-CD2 4.23Å; L97-Y101 HydrophobicContact CB-CE2 4.48Å; L97-Y101 HydrophobicContact CD2-CE2 4.17Å; L97-Y101 WeakPolarHBondContact O-CB 3.49Å; L97-Y101 VanDerWaalsContact O-CD2 3.29Å; L97-Y101 WeakPolarHBondContact O-CD2 3.23Å; L97-Y101 PolarHBondContact O-N 2.89Å; L97-Y117 HydrophobicContact CB-CD2 3.99Å; L97-Y117 HydrophobicContact CB-CE1 4.33Å; L97-Y117 HydrophobicContact CB-CE2 3.81Å; L97-Y117 HydrophobicContact CB-CG 4.34Å; L97-Y117 HydrophobicContact CD1-CE1 4.18Å
98	G	97.5	Very high	95.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.2	-47.2	173.2	0	0	0	0	0	112.8	T94 Y95 Q96 Y102 G114 M118	T94-G98 PolarHBondContact O-N 3.37Å; Y95-G98 WeakPolarHBondContact O-CA 3.42Å; Y95-G98 PolarHBondContact O-N 3.03Å; Y95-G98 VanDerWaalsContact O-N 3.08Å; Q96-G98 VanDerWaalsContact C-N 3.25Å; Q96-G98 PolarHBondContact O-N 2.95Å; G98-Y102 WeakPolarHBondContact O-CB 3.23Å; G98-Y102 PolarHBondContact O-N 2.81Å; G98-Y102 VanDerWaalsContact O-N 3.12Å; G98-G114 WeakPolarHBondContact O-CA 3.47Å; G98-M118 VanDerWaalsContact C-CE 3.49Å
99	V	97.4	Very high	95.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-49.3	176.2	173.9	0	0	0	0	110.9	Y95 Q96 L97 Y102 D103 L105 M118	Y95-V99 HydrophobicContact CD1-CG2 4.4Å; Y95-V99 HydrophobicContact CE1-CG2 3.82Å; Y95-V99 PolarHBondContact O-N 3.13Å; Y95-V99 VanDerWaalsContact O-N 3.07Å; Q96-V99 PolarHBondContact O-N 2.79Å; Q96-V99 VanDerWaalsContact O-N 3.11Å; L97-V99 VanDerWaalsContact C-N 3.32Å; L97-V99 PolarHBondContact O-N 3.33Å; V99-Y102 PolarHBondContact O-N 2.82Å; V99-D103 WeakPolarHBondContact O-CB 3.48Å; V99-D103 PolarHBondContact O-N 2.89Å; V99-L105 HydrophobicContact CG1-CD1 4.35Å; V99-M118 HydrophobicContact CB-CE 4.48Å; V99-M118 HydrophobicContact CG2-CE 3.65Å
100	M	97.8	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-46	-174.8	-69.1	177.4	76.4	0	0	112.3	F71 Y76 A79 L80 F83 Q96 L97 G104 L105	F71-M100 HydrophobicContact CD2-CE 4.42Å; F71-M100 HydrophobicContact CD2-CG 4.05Å; F71-M100 HydrophobicContact CD2-SD 3.92Å; F71-M100 HydrophobicContact CE2-CG 3.71Å; F71-M100 HydrophobicContact CE2-SD 4.21Å; Y76-M100 WeakPolarHBondContact O-CE 3.26Å; A79-M100 HydrophobicContact CB-CE 4.03Å; L80-M100 HydrophobicContact CB-CE 3.63Å; L80-M100 HydrophobicContact CD1-CB 4.02Å; L80-M100 HydrophobicContact CD1-CE 3.78Å; L80-M100 HydrophobicContact CD1-SD 4.14Å; L80-M100 HydrophobicContact CG-CE 4.34Å; F83-M100 HydrophobicContact CD2-SD 3.63Å; F83-M100 HydrophobicContact CE2-SD 3.89Å; Q96-M100 WeakPolarHBondContact O-CB 3.25Å; Q96-M100 VanDerWaalsContact O-CG 3.24Å; Q96-M100 WeakPolarHBondContact O-CG 3.35Å; Q96-M100 PolarHBondContact O-N 3.1Å; L97-M100 PolarHBondContact O-N 2.9Å; M100-G104 CarbonylContact O-C 3.56Å; M100-G104 VanDerWaalsContact O-CA 3.3Å; M100-G104 WeakPolarHBondContact O-CA 3.47Å; M100-G104 PolarHBondContact O-N 3.45Å; M100-L105 HydrophobicContact CB-CB 4.27Å; M100-L105 WeakPolarHBondContact CE-O 3.19Å; M100-L105 HydrophobicContact CG-CB 4.17Å; M100-L105 PolarHBondContact O-N 2.94Å
101	Y	98	Very high	96.4	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-38.5	175.7	-83.2	-66.7	0	0	0	112.5	L80 E84 L97 T107 N110 K113 Y117	L80-Y101 HydrophobicContact CD1-CE2 4.17Å; E84-Y101 PolarHBondContact OE1-OH 3.11Å; L97-Y101 HydrophobicContact CB-CD2 4.23Å; L97-Y101 HydrophobicContact CB-CE2 4.48Å; L97-Y101 HydrophobicContact CD2-CE2 4.17Å; L97-Y101 WeakPolarHBondContact O-CB 3.49Å; L97-Y101 VanDerWaalsContact O-CD2 3.29Å; L97-Y101 WeakPolarHBondContact O-CD2 3.23Å; L97-Y101 PolarHBondContact O-N 2.89Å; Y101-T107 HydrophobicContact CD1-CG2 3.77Å; Y101-T107 HydrophobicContact CE1-CG2 3.92Å; Y101-T107 HydrophobicContact CG-CG2 4.49Å; Y101-N110 CarbonylContact C-O 3.59Å; Y101-N110 HydrophobicContact CD1-CB 4.04Å; Y101-N110 CarbonylContact O-C 3.59Å; Y101-N110 PolarHBondContact O-N 2.74Å; Y101-K113 HydrophobicContact CD1-CB 4.49Å; Y101-K113 HydrophobicContact CD1-CD 3.92Å; Y101-K113 HydrophobicContact CD1-CG 4.44Å; Y101-K113 HydrophobicContact CD2-CD 4.01Å; Y101-K113 HydrophobicContact CD2-CG 4.24Å; Y101-K113 HydrophobicContact CE1-CD 3.74Å; Y101-K113 HydrophobicContact CE2-CD 3.85Å; Y101-K113 HydrophobicContact CG-CB 4.37Å; Y101-K113 HydrophobicContact CG-CD 4.04Å; Y101-K113 HydrophobicContact CG-CG 4.19Å; Y101-K113 PolarHBondContact OH-NZ 2.94Å; Y101-Y117 HydrophobicContact CD2-CD2 4.14Å; Y101-Y117 AromaticContact CD2-CE2 3.54Å; Y101-Y117 HydrophobicContact CD2-CE2 3.54Å; Y101-Y117 AromaticContact CE2-CE2 3.86Å; Y101-Y117 HydrophobicContact CE2-CE2 3.86Å
102	Y	97.2	Very high	96.5	Very high	9 Å²	9	35 Å²	35	4%	0.035	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-41.9	-180	-172.8	-83.3	0	0	0	112.9	G98 V99 L109 S111 V115 R142 A143 K148	G98-Y102 WeakPolarHBondContact O-CB 3.23Å; G98-Y102 PolarHBondContact O-N 2.81Å; G98-Y102 VanDerWaalsContact O-N 3.12Å; V99-Y102 PolarHBondContact O-N 2.82Å; Y102-L109 WeakPolarHBondContact O-CD1 3.25Å; Y102-S111 PolarHBondContact O-OG 2.99Å; Y102-V115 HydrophobicContact CD2-CG2 4.25Å; Y102-V115 HydrophobicContact CE2-CG2 4.26Å; Y102-R142 VanDerWaalsContact CE1-NE 3.3Å; Y102-R142 VanDerWaalsContact CE1-NH2 3.3Å; Y102-A143 HydrophobicContact CD2-CB 4.48Å; Y102-A143 HydrophobicContact CE2-CB 3.54Å; Y102-A143 WeakPolarHBondContact OH-CA 3.44Å; Y102-K148 HydrophobicContact CE2-CB 4.26Å
103	D	95.3	Very high	96.6	Very high	62 Å²	62	37.6 Å²	37.6	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-93.3	-8.1	-178.1	-70	-26.4	0	0	0	113.3	S5 V99 L105 R142	S5-D103 VanDerWaalsContact CB-OD2 3.25Å; S5-D103 WeakPolarHBondContact CB-OD2 3.26Å; S5-D103 PolarHBondContact OG-OD2 3.33Å; V99-D103 WeakPolarHBondContact O-CB 3.48Å; V99-D103 PolarHBondContact O-N 2.89Å; D103-L105 HydrophobicContact CB-CD1 4.25Å; D103-L105 HydrophobicContact CB-CD2 4.45Å; D103-L105 HydrophobicContact CB-CG 3.95Å; D103-R142 IonicContact OD1-NH2 3.98Å
104	G	95.8	Very high	96.7	Very high	25 Å²	25	37.6 Å²	37.6	26%	0.258	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	35.9	-178.5	0	0	0	0	0	113.6	M100 T107	M100-G104 CarbonylContact O-C 3.56Å; M100-G104 VanDerWaalsContact O-CA 3.3Å; M100-G104 WeakPolarHBondContact O-CA 3.47Å; M100-G104 PolarHBondContact O-N 3.45Å; G104-T107 CarbonylContact C-O 3.15Å
105	L	95.2	Very high	96.8	Very high	40 Å²	40	37 Å²	37	21%	0.209	20%	0.201	C	C	.	.	S	Bend	trans	-85.9	114.7	-179.4	-55.6	175	0	0	0	109.8	F71 Y76 V99 M100 D103 T107	F71-L105 HydrophobicContact CE2-CD1 3.74Å; F71-L105 HydrophobicContact CZ-CD1 3.89Å; Y76-L105 HydrophobicContact CD1-CB 4.09Å; Y76-L105 HydrophobicContact CD2-CB 4.39Å; Y76-L105 HydrophobicContact CE1-CD1 4.41Å; Y76-L105 HydrophobicContact CE2-CD2 4.25Å; Y76-L105 HydrophobicContact CG-CB 4.04Å; V99-L105 HydrophobicContact CG1-CD1 4.35Å; M100-L105 HydrophobicContact CB-CB 4.27Å; M100-L105 WeakPolarHBondContact CE-O 3.19Å; M100-L105 HydrophobicContact CG-CB 4.17Å; M100-L105 PolarHBondContact O-N 2.94Å; D103-L105 HydrophobicContact CB-CD1 4.25Å; D103-L105 HydrophobicContact CB-CD2 4.45Å; D103-L105 HydrophobicContact CB-CG 3.95Å; L105-T107 PolarHBondContact O-N 2.54Å
106	G	92.2	Very high	96.8	Very high	22 Å²	22	41.1 Å²	41.1	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	70.3	12.8	179.6	0	0	0	0	0	114.3	Y76	Y76-G106 VanDerWaalsContact CB-CA 3.44Å; Y76-G106 VanDerWaalsContact CB-N 3.34Å
107	T	94.8	Very high	96.9	Very high	49 Å²	49	41.3 Å²	41.3	30%	0.301	22%	0.223	S	C	.	.	S	Bend	trans	-156.4	168.7	-179.2	-168.3	0	0	0	0	111.3	L80 Y101 G104 L105 L109	L80-T107 HydrophobicContact CD2-CG2 4.44Å; Y101-T107 HydrophobicContact CD1-CG2 3.77Å; Y101-T107 HydrophobicContact CE1-CG2 3.92Å; Y101-T107 HydrophobicContact CG-CG2 4.49Å; G104-T107 CarbonylContact C-O 3.15Å; L105-T107 PolarHBondContact O-N 2.54Å; T107-L109 PolarHBondContact O-N 2.74Å
108	I	95.5	Very high	96.9	Very high	152 Å²	152	41.5 Å²	41.5	78%	0.779	22%	0.224	S	C	*	.			trans	-66.4	130	169.2	-57.4	174.2	0	0	0	108	N110	I108-N110 PolarHBondContact O-N 3.07Å; I108-N110 VanDerWaalsContact O-N 3.15Å
109	L	95.7	Very high	96.9	Very high	108 Å²	108	44.7 Å²	44.7	57%	0.565	24%	0.238	S	C	*	.			trans	-47.9	119.7	178.6	-178.3	73.1	0	0	0	111.5	Y102 T107	Y102-L109 WeakPolarHBondContact O-CD1 3.25Å; T107-L109 PolarHBondContact O-N 2.74Å
110	N	97.6	Very high	96.9	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.353	26%	0.258	S	S	.	.			trans	-139.5	79.5	176.3	-171.1	-21	0	0	0	110.1	Y101 I108 E112 K113 G114	Y101-N110 CarbonylContact C-O 3.59Å; Y101-N110 HydrophobicContact CD1-CB 4.04Å; Y101-N110 CarbonylContact O-C 3.59Å; Y101-N110 PolarHBondContact O-N 2.74Å; I108-N110 PolarHBondContact O-N 3.07Å; I108-N110 VanDerWaalsContact O-N 3.15Å; N110-E112 VanDerWaalsContact C-N 3.26Å; N110-E112 PolarHBondContact O-N 3.16Å; N110-E112 PolarHBondContact OD1-N 3.43Å; N110-K113 HydrophobicContact CB-CB 4.23Å; N110-K113 PolarHBondContact O-N 2.84Å; N110-K113 WeakPolarHBondContact OD1-CB 3.46Å; N110-K113 PolarHBondContact OD1-N 3.45Å; N110-G114 PolarHBondContact O-N 3.49Å
111	S	97.4	Very high	96.9	Very high	16 Å²	16	49.4 Å²	49.4	11%	0.112	26%	0.258	C	S	.	.	H	α-helix	trans	-64.8	-27.1	-176.9	-52.3	0	0	0	0	113.8	Y102 G114 V115	Y102-S111 PolarHBondContact O-OG 2.99Å; S111-G114 PolarHBondContact O-N 3.2Å; S111-V115 WeakPolarHBondContact O-CB 3.45Å; S111-V115 VanDerWaalsContact O-CG2 3.27Å; S111-V115 WeakPolarHBondContact O-CG2 3.37Å; S111-V115 PolarHBondContact O-N 3.29Å
112	E	98.2	Very high	96.9	Very high	135 Å²	135	49.8 Å²	49.8	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-65.2	-50	174.9	-67	-177.9	178	0	0	110.7	N110 G114 V115 D116	N110-E112 VanDerWaalsContact C-N 3.26Å; N110-E112 PolarHBondContact O-N 3.16Å; N110-E112 PolarHBondContact OD1-N 3.43Å; E112-G114 VanDerWaalsContact C-N 3.3Å; E112-G114 PolarHBondContact O-N 3.07Å; E112-V115 WeakPolarHBondContact O-CB 3.41Å; E112-V115 PolarHBondContact O-N 2.9Å; E112-D116 PolarHBondContact O-N 3.12Å
113	K	97.8	Very high	96.8	Very high	66 Å²	66	55.6 Å²	55.6	29%	0.287	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-40.5	175.6	-169.9	175	178.4	-176.5	0	111.6	E84 Y101 N110 V115 D116 Y117	E84-K113 IonicContact OE1-NZ 3.39Å; Y101-K113 HydrophobicContact CD1-CB 4.49Å; Y101-K113 HydrophobicContact CD1-CD 3.92Å; Y101-K113 HydrophobicContact CD1-CG 4.44Å; Y101-K113 HydrophobicContact CD2-CD 4.01Å; Y101-K113 HydrophobicContact CD2-CG 4.24Å; Y101-K113 HydrophobicContact CE1-CD 3.74Å; Y101-K113 HydrophobicContact CE2-CD 3.85Å; Y101-K113 HydrophobicContact CG-CB 4.37Å; Y101-K113 HydrophobicContact CG-CD 4.04Å; Y101-K113 HydrophobicContact CG-CG 4.19Å; Y101-K113 PolarHBondContact OH-NZ 2.94Å; N110-K113 HydrophobicContact CB-CB 4.23Å; N110-K113 PolarHBondContact O-N 2.84Å; N110-K113 WeakPolarHBondContact OD1-CB 3.46Å; N110-K113 PolarHBondContact OD1-N 3.45Å; K113-V115 PolarHBondContact O-N 3.19Å; K113-D116 PolarHBondContact O-N 2.95Å; K113-Y117 HydrophobicContact CD-CE2 4.19Å; K113-Y117 WeakPolarHBondContact CE-OH 3.48Å; K113-Y117 HydrophobicContact CG-CD2 4.22Å; K113-Y117 HydrophobicContact CG-CE2 3.69Å; K113-Y117 WeakPolarHBondContact O-CD2 3.43Å; K113-Y117 PolarHBondContact O-N 3.18Å
114	G	97.9	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-44.7	174.9	0	0	0	0	0	113.2	G98 N110 S111 E112 D116 Y117 M118	G98-G114 WeakPolarHBondContact O-CA 3.47Å; N110-G114 PolarHBondContact O-N 3.49Å; S111-G114 PolarHBondContact O-N 3.2Å; E112-G114 VanDerWaalsContact C-N 3.3Å; E112-G114 PolarHBondContact O-N 3.07Å; G114-D116 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 3.32Å; G114-Y117 PolarHBondContact O-N 2.87Å; G114-M118 WeakPolarHBondContact O-CG 3.45Å; G114-M118 PolarHBondContact O-N 3.34Å
115	V	98.6	Very high	96.7	Very high	1 Å²	1	58 Å²	58	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-43.6	174.6	157.3	0	0	0	0	111.6	Y102 S111 E112 K113 Y117 M118 K119 L140 A143 V150	Y102-V115 HydrophobicContact CD2-CG2 4.25Å; Y102-V115 HydrophobicContact CE2-CG2 4.26Å; S111-V115 WeakPolarHBondContact O-CB 3.45Å; S111-V115 VanDerWaalsContact O-CG2 3.27Å; S111-V115 WeakPolarHBondContact O-CG2 3.37Å; S111-V115 PolarHBondContact O-N 3.29Å; E112-V115 WeakPolarHBondContact O-CB 3.41Å; E112-V115 PolarHBondContact O-N 2.9Å; K113-V115 PolarHBondContact O-N 3.19Å; V115-Y117 VanDerWaalsContact C-N 3.33Å; V115-Y117 PolarHBondContact O-N 3.47Å; V115-M118 WeakPolarHBondContact O-CB 3.46Å; V115-M118 PolarHBondContact O-N 3.07Å; V115-M118 VanDerWaalsContact O-N 3.12Å; V115-K119 HydrophobicContact CG1-CD 4.15Å; V115-K119 PolarHBondContact O-N 3.04Å; V115-L140 HydrophobicContact CB-CD1 4.47Å; V115-L140 HydrophobicContact CG1-CD1 3.86Å; V115-L140 HydrophobicContact CG2-CD1 4.28Å; V115-A143 HydrophobicContact CG2-CB 3.62Å; V115-V150 HydrophobicContact CB-CG1 4.29Å; V115-V150 HydrophobicContact CG1-CG1 3.46Å; V115-V150 VanDerWaalsContact CG1-CG1 3.46Å; V115-V150 HydrophobicContact CG2-CG1 3.99Å
116	D	98.3	Very high	96.5	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-39.2	-178	-73	-18.2	0	0	0	111.7	E112 K113 G114 K119 K120	E112-D116 PolarHBondContact O-N 3.12Å; K113-D116 PolarHBondContact O-N 2.95Å; G114-D116 VanDerWaalsContact C-N 3.35Å; G114-D116 PolarHBondContact O-N 3.32Å; D116-K119 PolarHBondContact O-N 2.73Å; D116-K119 IonicContact OD1-NZ 3.5Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 2.84Å
117	Y	98.1	Very high	96.4	Very high	8 Å²	8	60.4 Å²	60.4	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-40.7	171.3	-73.3	-61.5	0	0	0	112.9	E87 T94 L97 Y101 K113 G114 V115 K119 K120 I121	E87-Y117 WeakPolarHBondContact OE2-CE1 3.33Å; E87-Y117 PolarHBondContact OE2-OH 2.99Å; T94-Y117 HydrophobicContact CG2-CD1 3.53Å; T94-Y117 HydrophobicContact CG2-CE1 4.24Å; T94-Y117 HydrophobicContact CG2-CG 4.41Å; L97-Y117 HydrophobicContact CB-CD2 3.99Å; L97-Y117 HydrophobicContact CB-CE1 4.33Å; L97-Y117 HydrophobicContact CB-CE2 3.81Å; L97-Y117 HydrophobicContact CB-CG 4.34Å; L97-Y117 HydrophobicContact CD1-CE1 4.18Å; Y101-Y117 HydrophobicContact CD2-CD2 4.14Å; Y101-Y117 AromaticContact CD2-CE2 3.54Å; Y101-Y117 HydrophobicContact CD2-CE2 3.54Å; Y101-Y117 AromaticContact CE2-CE2 3.86Å; Y101-Y117 HydrophobicContact CE2-CE2 3.86Å; K113-Y117 HydrophobicContact CD-CE2 4.19Å; K113-Y117 WeakPolarHBondContact CE-OH 3.48Å; K113-Y117 HydrophobicContact CG-CD2 4.22Å; K113-Y117 HydrophobicContact CG-CE2 3.69Å; K113-Y117 WeakPolarHBondContact O-CD2 3.43Å; K113-Y117 PolarHBondContact O-N 3.18Å; G114-Y117 PolarHBondContact O-N 2.87Å; V115-Y117 VanDerWaalsContact C-N 3.33Å; V115-Y117 PolarHBondContact O-N 3.47Å; Y117-K119 VanDerWaalsContact C-N 3.34Å; Y117-K119 PolarHBondContact O-N 3.17Å; Y117-K120 HydrophobicContact CD1-CD 4.21Å; Y117-K120 WeakPolarHBondContact O-CB 3.27Å; Y117-K120 PolarHBondContact O-N 3.27Å; Y117-I121 WeakPolarHBondContact O-CG1 3.28Å; Y117-I121 PolarHBondContact O-N 3.23Å
118	M	98.1	Very high	96	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-40.8	176.4	-64.6	-63.6	170.2	0	0	111.6	Y95 G98 V99 G114 V115 I121 L122 A136 N139 L140	Y95-M118 HydrophobicContact CD2-CE 4.42Å; Y95-M118 HydrophobicContact CD2-SD 4.07Å; Y95-M118 HydrophobicContact CE2-CE 4.22Å; Y95-M118 HydrophobicContact CE2-SD 4.04Å; G98-M118 VanDerWaalsContact C-CE 3.49Å; V99-M118 HydrophobicContact CB-CE 4.48Å; V99-M118 HydrophobicContact CG2-CE 3.65Å; G114-M118 WeakPolarHBondContact O-CG 3.45Å; G114-M118 PolarHBondContact O-N 3.34Å; V115-M118 WeakPolarHBondContact O-CB 3.46Å; V115-M118 PolarHBondContact O-N 3.07Å; V115-M118 VanDerWaalsContact O-N 3.12Å; M118-I121 PolarHBondContact O-N 2.72Å; M118-L122 WeakPolarHBondContact O-CG 3.44Å; M118-L122 PolarHBondContact O-N 2.81Å; M118-L122 VanDerWaalsContact O-N 3.11Å; M118-A136 HydrophobicContact SD-CB 3.94Å; M118-N139 HydrophobicContact CE-CB 3.83Å; M118-N139 WeakPolarHBondContact CE-ND2 3.29Å; M118-N139 HydrophobicContact CG-CB 4.34Å; M118-N139 HydrophobicContact SD-CB 3.88Å; M118-L140 HydrophobicContact CB-CB 4.28Å
119	K	98.3	Very high	95.9	Very high	66 Å²	66	57.7 Å²	57.7	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-46.3	173.5	-70.1	173.3	-177.2	163.6	0	111.6	V115 D116 Y117 I121 L122 D123 L140	V115-K119 HydrophobicContact CG1-CD 4.15Å; V115-K119 PolarHBondContact O-N 3.04Å; D116-K119 PolarHBondContact O-N 2.73Å; D116-K119 IonicContact OD1-NZ 3.5Å; Y117-K119 VanDerWaalsContact C-N 3.34Å; Y117-K119 PolarHBondContact O-N 3.17Å; K119-I121 PolarHBondContact O-N 3.32Å; K119-L122 PolarHBondContact O-N 2.98Å; K119-D123 WeakPolarHBondContact O-CB 3.38Å; K119-D123 PolarHBondContact O-N 3.48Å; K119-L140 HydrophobicContact CG-CD1 4.38Å; K119-L140 HydrophobicContact CG-CD2 4.02Å
120	K	97.4	Very high	95.7	Very high	105 Å²	105	60.6 Å²	60.6	46%	0.457	30%	0.304	S	S	.	.	H	α-helix	trans	-52.4	-41.1	174.7	-74.9	178.5	-179.8	-174.1	0	111.9	T94 D116 Y117 S124	T94-K120 HydrophobicContact CG2-CB 4.49Å; D116-K120 WeakPolarHBondContact O-CG 3.43Å; D116-K120 PolarHBondContact O-N 2.84Å; Y117-K120 HydrophobicContact CD1-CD 4.21Å; Y117-K120 WeakPolarHBondContact O-CB 3.27Å; Y117-K120 PolarHBondContact O-N 3.27Å; K120-S124 WeakPolarHBondContact O-CB 3.42Å; K120-S124 PolarHBondContact O-N 2.97Å
121	I	97.8	Very high	95.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-43.9	177.1	-68.3	-69.5	0	0	0	112.4	H91 T94 Y117 M118 K119 S124 L132 A136	H91-I121 HydrophobicContact CB-CD1 3.8Å; H91-I121 WeakPolarHBondContact O-CD1 3.48Å; T94-I121 HydrophobicContact CG2-CD1 4.32Å; T94-I121 HydrophobicContact CG2-CG1 4.41Å; Y117-I121 WeakPolarHBondContact O-CG1 3.28Å; Y117-I121 PolarHBondContact O-N 3.23Å; M118-I121 PolarHBondContact O-N 2.72Å; K119-I121 PolarHBondContact O-N 3.32Å; I121-S124 PolarHBondContact O-N 3.42Å; I121-L132 HydrophobicContact CD1-CD1 4.02Å; I121-L132 HydrophobicContact CG2-CB 3.72Å; I121-A136 HydrophobicContact CB-CB 4.02Å; I121-A136 HydrophobicContact CG2-CB 3.58Å
122	L	97	Very high	95.3	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.141	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-41.4	179.8	-70.9	173.4	0	0	0	112.4	M118 K119 S124 K133 A136 A137 L140 L160 F163	M118-L122 WeakPolarHBondContact O-CG 3.44Å; M118-L122 PolarHBondContact O-N 2.81Å; M118-L122 VanDerWaalsContact O-N 3.11Å; K119-L122 PolarHBondContact O-N 2.98Å; L122-S124 VanDerWaalsContact C-N 3.31Å; L122-K133 HydrophobicContact CD2-CB 4.11Å; L122-K133 VanDerWaalsContact CD2-O 3.23Å; L122-K133 WeakPolarHBondContact CD2-O 3.27Å; L122-K133 WeakPolarHBondContact O-CE 3.46Å; L122-K133 PolarHBondContact O-NZ 3.15Å; L122-A136 HydrophobicContact CD2-CB 4.22Å; L122-A136 HydrophobicContact CG-CB 4.17Å; L122-A137 HydrophobicContact CD1-CB 4.4Å; L122-A137 HydrophobicContact CD2-CB 3.82Å; L122-L140 HydrophobicContact CD1-CB 4.4Å; L122-L140 HydrophobicContact CD1-CD2 3.55Å; L122-L160 HydrophobicContact CD1-CD2 4.16Å; L122-F163 HydrophobicContact CD2-CE1 4.16Å
123	D	96.5	Very high	95.3	Very high	130 Å²	130	54 Å²	54	70%	0.695	27%	0.268	S	S	*	.	H	α-helix	trans	-79.8	-15.1	-178.1	-63.4	-25.8	0	0	0	112.4	K119 P125	K119-D123 WeakPolarHBondContact O-CB 3.38Å; K119-D123 PolarHBondContact O-N 3.48Å; D123-P125 WeakPolarHBondContact O-CD 3.39Å
124	S	95.3	Very high	95.3	Very high	13 Å²	13	53 Å²	53	9%	0.091	26%	0.264	C	S	.	.			trans	-60	124.7	-179.6	178.9	0	0	0	0	111.8	H91 K120 I121 L122 C126 K133	H91-S124 PolarHBondContact CD2-OG 3.29Å; H91-S124 PolarHBondContact NE2-OG 3.19Å; K120-S124 WeakPolarHBondContact O-CB 3.42Å; K120-S124 PolarHBondContact O-N 2.97Å; I121-S124 PolarHBondContact O-N 3.42Å; L122-S124 VanDerWaalsContact C-N 3.31Å; S124-C126 PolarHBondContact O-N 3.27Å; S124-C126 VanDerWaalsContact OG-CB 3.26Å; S124-C126 WeakPolarHBondContact OG-CB 3.22Å; S124-C126 PolarHBondContact OG-N 3.21Å; S124-C126 VanDerWaalsContact OG-N 3.16Å; S124-K133 VanDerWaalsContact O-CE 3.3Å; S124-K133 WeakPolarHBondContact O-CE 3.44Å; S124-K133 PolarHBondContact O-NZ 2.71Å
125	P	93.8	Very high	95.2	Very high	124 Å²	124	53 Å²	53	81%	0.805	27%	0.265	S	S	*	.			trans	-77.4	-8.6	172.3	32.7	-34.7	0	0	0	111.8	D123 P127	D123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-P127 WeakPolarHBondContact O-CD 3.48Å
126	C	91	Very high	95.2	Very high	35 Å²	35	53 Å²	53	24%	0.236	26%	0.264	C	S	.	.			trans	-64.2	126.8	-174.8	-171	0	0	0	0	111.1	S124 K128 A129	S124-C126 PolarHBondContact O-N 3.27Å; S124-C126 VanDerWaalsContact OG-CB 3.26Å; S124-C126 WeakPolarHBondContact OG-CB 3.22Å; S124-C126 PolarHBondContact OG-N 3.21Å; S124-C126 VanDerWaalsContact OG-N 3.16Å; C126-K128 PolarHBondContact O-N 2.74Å; C126-K128 VanDerWaalsContact O-N 3.11Å; C126-A129 WeakPolarHBondContact O-CB 3.4Å; C126-A129 PolarHBondContact O-N 2.78Å
127	P	89.5	Confident	95.2	Very high	79 Å²	79	49 Å²	49	51%	0.513	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-57.1	-28.6	175.8	-27.4	35.7	0	0	0	113.8	P125 A129 R130	P125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-A129 VanDerWaalsContact C-N 3.26Å; P127-A129 PolarHBondContact O-N 3.32Å; P127-R130 WeakPolarHBondContact O-CB 3.1Å; P127-R130 WeakPolarHBondContact O-CG 3.26Å; P127-R130 PolarHBondContact O-N 3.23Å
128	K	87.3	Confident	95.3	Very high	143 Å²	143	48.6 Å²	48.6	62%	0.622	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-65.6	-27.5	177.2	-63.6	-177.6	179.2	179.7	0	112.6	C126 H131	C126-K128 PolarHBondContact O-N 2.74Å; C126-K128 VanDerWaalsContact O-N 3.11Å; K128-H131 PolarHBondContact O-CE1 3.48Å; K128-H131 PolarHBondContact O-ND1 2.94Å
129	A	92.3	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-78.8	-16.4	178.8	0	0	0	0	0	113.5	H91 C126 P127 H131 L132 K133	H91-A129 HydrophobicContact CB-CB 4.31Å; C126-A129 WeakPolarHBondContact O-CB 3.4Å; C126-A129 PolarHBondContact O-N 2.78Å; P127-A129 VanDerWaalsContact C-N 3.26Å; P127-A129 PolarHBondContact O-N 3.32Å; A129-H131 VanDerWaalsContact C-N 3.31Å; A129-H131 PolarHBondContact O-N 3.38Å; A129-L132 WeakPolarHBondContact O-CA 3.28Å; A129-L132 WeakPolarHBondContact O-CB 3.46Å; A129-L132 PolarHBondContact O-N 3.02Å; A129-K133 PolarHBondContact O-N 3.07Å
130	R	91.8	Very high	95.3	Very high	169 Å²	169	45.8 Å²	45.8	64%	0.638	23%	0.23	S	C	*	.	H	α-helix	trans	-54.1	-43.6	-171.6	-72.7	179.8	177.9	-174.8	-1	113.6	P127 L132 K133	P127-R130 WeakPolarHBondContact O-CB 3.1Å; P127-R130 WeakPolarHBondContact O-CG 3.26Å; P127-R130 PolarHBondContact O-N 3.23Å; R130-L132 PolarHBondContact O-N 3.49Å; R130-K133 PolarHBondContact O-N 2.81Å
131	H	90.4	Very high	95.3	Very high	32 Å²	32	40.8 Å²	40.8	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-17.2	180	74.8	-72.6	0	0	0	113.8	P9 P12 K128 A129	P9-H131 VanDerWaalsContact CG-O 3.26Å; P9-H131 WeakPolarHBondContact CG-O 3.31Å; P12-H131 HydrophobicContact CG-CB 4.14Å; K128-H131 PolarHBondContact O-CE1 3.48Å; K128-H131 PolarHBondContact O-ND1 2.94Å; A129-H131 VanDerWaalsContact C-N 3.31Å; A129-H131 PolarHBondContact O-N 3.38Å
132	L	96.2	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-90.2	-20.2	178	-55.9	171.1	0	0	0	112	L8 P9 H91 Q92 Y95 I121 A129 R130 F134 A135 A136	L8-L132 HydrophobicContact CD1-CD2 3.54Å; P9-L132 HydrophobicContact CG-CD2 3.87Å; H91-L132 VanDerWaalsContact C-CD1 3.49Å; H91-L132 HydrophobicContact CB-CD1 3.77Å; H91-L132 VanDerWaalsContact O-CD1 3.26Å; H91-L132 WeakPolarHBondContact O-CD1 3.34Å; Q92-L132 HydrophobicContact CG-CD1 4.28Å; Q92-L132 HydrophobicContact CG-CD2 4.44Å; Y95-L132 HydrophobicContact CG-CD2 4.38Å; I121-L132 HydrophobicContact CD1-CD1 4.02Å; I121-L132 HydrophobicContact CG2-CB 3.72Å; A129-L132 WeakPolarHBondContact O-CA 3.28Å; A129-L132 WeakPolarHBondContact O-CB 3.46Å; A129-L132 PolarHBondContact O-N 3.02Å; R130-L132 PolarHBondContact O-N 3.49Å; L132-F134 VanDerWaalsContact C-N 3.33Å; L132-F134 PolarHBondContact O-N 3.29Å; L132-A135 PolarHBondContact O-N 3.38Å; L132-A136 WeakPolarHBondContact O-CB 3.18Å; L132-A136 PolarHBondContact O-N 3.32Å
133	K	97.4	Very high	95.4	Very high	46 Å²	46	39.6 Å²	39.6	20%	0.2	20%	0.201	C	C	.	.	H	α-helix	trans	-60.2	-39.8	-171.5	-67.9	-161.3	177.8	-156.2	0	112.9	L122 S124 A129 R130 A136 A137 F163	L122-K133 HydrophobicContact CD2-CB 4.11Å; L122-K133 VanDerWaalsContact CD2-O 3.23Å; L122-K133 WeakPolarHBondContact CD2-O 3.27Å; L122-K133 WeakPolarHBondContact O-CE 3.46Å; L122-K133 PolarHBondContact O-NZ 3.15Å; S124-K133 VanDerWaalsContact O-CE 3.3Å; S124-K133 WeakPolarHBondContact O-CE 3.44Å; S124-K133 PolarHBondContact O-NZ 2.71Å; A129-K133 PolarHBondContact O-N 3.07Å; R130-K133 PolarHBondContact O-N 2.81Å; K133-A136 PolarHBondContact O-N 3.13Å; K133-A137 VanDerWaalsContact O-CB 3.25Å; K133-A137 WeakPolarHBondContact O-CB 3.39Å; K133-A137 PolarHBondContact O-N 2.8Å; K133-F163 HydrophobicContact CB-CE1 4.24Å; K133-F163 HydrophobicContact CB-CZ 4.47Å
134	F	97.4	Very high	95.5	Very high	45 Å²	45	35.6 Å²	35.6	20%	0.197	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-46.2	178.7	-59.3	-53.6	0	0	0	112	L132 A137 Y138 F163 A164 D166 A172	L132-F134 VanDerWaalsContact C-N 3.33Å; L132-F134 PolarHBondContact O-N 3.29Å; F134-A137 PolarHBondContact O-N 2.8Å; F134-Y138 PolarHBondContact O-N 3.13Å; F134-F163 HydrophobicContact CD1-CE1 4.28Å; F134-F163 WeakPolarHBondContact CD1-O 3.34Å; F134-A164 VanDerWaalsContact O-CB 3.28Å; F134-A164 WeakPolarHBondContact O-CB 3.35Å; F134-D166 HydrophobicContact CD1-CB 4.41Å; F134-D166 HydrophobicContact CE1-CB 3.75Å; F134-D166 HydrophobicContact CZ-CB 4.05Å; F134-A172 HydrophobicContact CB-CB 4.36Å; F134-A172 HydrophobicContact CD1-CB 4.07Å; F134-A172 HydrophobicContact CD2-CB 3.76Å; F134-A172 HydrophobicContact CE1-CB 4.26Å; F134-A172 HydrophobicContact CE2-CB 3.95Å; F134-A172 HydrophobicContact CG-CB 3.81Å; F134-A172 HydrophobicContact CZ-CB 4.19Å
135	A	97.8	Very high	95.5	Very high	2 Å²	2	37 Å²	37	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-36.8	178.1	0	0	0	0	0	112.3	E6 P9 Y95 L132 Y138 N139	E6-A135 HydrophobicContact CB-CB 4.33Å; E6-A135 HydrophobicContact CG-CB 3.94Å; E6-A135 WeakPolarHBondContact OE2-CA 3.41Å; P9-A135 HydrophobicContact CG-CB 4.17Å; Y95-A135 HydrophobicContact CE2-CB 3.87Å; Y95-A135 WeakPolarHBondContact OH-CB 3.5Å; L132-A135 PolarHBondContact O-N 3.38Å; A135-Y138 PolarHBondContact O-N 2.99Å; A135-N139 PolarHBondContact O-N 3.31Å; A135-N139 PolarHBondContact O-ND2 3.37Å
136	A	98.3	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-42.2	174.1	0	0	0	0	0	111.8	Y95 M118 I121 L122 L132 K133 N139 L140	Y95-A136 HydrophobicContact CD2-CB 4.23Å; Y95-A136 HydrophobicContact CE2-CB 4.27Å; M118-A136 HydrophobicContact SD-CB 3.94Å; I121-A136 HydrophobicContact CB-CB 4.02Å; I121-A136 HydrophobicContact CG2-CB 3.58Å; L122-A136 HydrophobicContact CD2-CB 4.22Å; L122-A136 HydrophobicContact CG-CB 4.17Å; L132-A136 WeakPolarHBondContact O-CB 3.18Å; L132-A136 PolarHBondContact O-N 3.32Å; K133-A136 PolarHBondContact O-N 3.13Å; A136-N139 PolarHBondContact O-N 3.28Å; A136-L140 WeakPolarHBondContact O-CB 3.38Å; A136-L140 PolarHBondContact O-N 3.11Å
137	A	98.6	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-41.4	174.9	0	0	0	0	0	111.5	L122 K133 F134 N139 L140 G141 L160 F163 A164	L122-A137 HydrophobicContact CD1-CB 4.4Å; L122-A137 HydrophobicContact CD2-CB 3.82Å; K133-A137 VanDerWaalsContact O-CB 3.25Å; K133-A137 WeakPolarHBondContact O-CB 3.39Å; K133-A137 PolarHBondContact O-N 2.8Å; F134-A137 PolarHBondContact O-N 2.8Å; A137-N139 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 2.83Å; A137-G141 PolarHBondContact O-N 3.31Å; A137-L160 HydrophobicContact CB-CD2 4.37Å; A137-F163 HydrophobicContact CB-CD1 3.54Å; A137-F163 HydrophobicContact CB-CE1 4.04Å; A137-A164 HydrophobicContact CB-CB 3.86Å
138	Y	98.6	Very high	96.2	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-49.5	174.1	170.4	-95.6	0	0	0	112	T4 E6 F134 A135 G141 R142 W161 K175 A176 M179	T4-Y138 WeakPolarHBondContact O-CE1 3.34Å; T4-Y138 PolarHBondContact O-OH 3.38Å; E6-Y138 HydrophobicContact CB-CD1 3.48Å; E6-Y138 VanDerWaalsContact CB-CD1 3.48Å; E6-Y138 HydrophobicContact CB-CE1 3.96Å; E6-Y138 HydrophobicContact CB-CG 4.33Å; E6-Y138 VanDerWaalsContact OE2-CB 3.3Å; E6-Y138 WeakPolarHBondContact OE2-CB 3.5Å; F134-Y138 PolarHBondContact O-N 3.13Å; A135-Y138 PolarHBondContact O-N 2.99Å; Y138-G141 PolarHBondContact O-N 3.26Å; Y138-R142 PolarHBondContact O-N 3.42Å; Y138-W161 AromaticContact CD2-CD1 3.74Å; Y138-W161 AromaticContact CD2-NE1 3.64Å; Y138-W161 AromaticContact CE2-NE1 3.93Å; Y138-W161 PolarHBondContact O-NE1 2.7Å; Y138-K175 HydrophobicContact CD1-CD 4.47Å; Y138-K175 HydrophobicContact CD2-CB 4.26Å; Y138-K175 HydrophobicContact CE1-CB 4.41Å; Y138-K175 HydrophobicContact CE1-CD 3.67Å; Y138-K175 HydrophobicContact CE1-CG 4.02Å; Y138-K175 HydrophobicContact CE2-CB 3.98Å; Y138-K175 HydrophobicContact CE2-CD 4.37Å; Y138-K175 HydrophobicContact CE2-CG 3.79Å; Y138-K175 VanDerWaalsContact CZ-CG 3.5Å; Y138-K175 VanDerWaalsContact OH-CE 3.3Å; Y138-K175 WeakPolarHBondContact OH-CE 3.47Å; Y138-K175 WeakPolarHBondContact OH-CG 3.3Å; Y138-A176 HydrophobicContact CD2-CB 3.86Å; Y138-M179 HydrophobicContact CE2-CB 4.19Å
139	N	98.4	Very high	96.7	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-39.3	-179.8	-73.5	-24.1	0	0	0	112.1	S5 E6 Y95 M118 A135 A136 A137 R142 A143	S5-N139 WeakPolarHBondContact CA-OD1 3.34Å; E6-N139 PolarHBondContact N-OD1 2.98Å; Y95-N139 PolarHBondContact OH-ND2 3.37Å; Y95-N139 VanDerWaalsContact OH-ND2 3.13Å; M118-N139 HydrophobicContact CE-CB 3.83Å; M118-N139 WeakPolarHBondContact CE-ND2 3.29Å; M118-N139 HydrophobicContact CG-CB 4.34Å; M118-N139 HydrophobicContact SD-CB 3.88Å; A135-N139 PolarHBondContact O-N 3.31Å; A135-N139 PolarHBondContact O-ND2 3.37Å; A136-N139 PolarHBondContact O-N 3.28Å; A137-N139 PolarHBondContact O-N 2.9Å; N139-R142 WeakPolarHBondContact O-CB 3.36Å; N139-R142 PolarHBondContact O-N 3.2Å; N139-R142 PolarHBondContact OD1-NH1 2.93Å; N139-A143 PolarHBondContact O-N 3.28Å
140	L	98.5	Very high	96.9	Very high	9 Å²	9	28.7 Å²	28.7	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-67.4	-38.3	174.2	-173.8	61.7	0	0	0	111.5	V115 M118 K119 L122 A136 A137 R142 A143 Y144 L160	V115-L140 HydrophobicContact CB-CD1 4.47Å; V115-L140 HydrophobicContact CG1-CD1 3.86Å; V115-L140 HydrophobicContact CG2-CD1 4.28Å; M118-L140 HydrophobicContact CB-CB 4.28Å; K119-L140 HydrophobicContact CG-CD1 4.38Å; K119-L140 HydrophobicContact CG-CD2 4.02Å; L122-L140 HydrophobicContact CD1-CB 4.4Å; L122-L140 HydrophobicContact CD1-CD2 3.55Å; A136-L140 WeakPolarHBondContact O-CB 3.38Å; A136-L140 PolarHBondContact O-N 3.11Å; A137-L140 PolarHBondContact O-N 2.83Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.06Å; L140-A143 HydrophobicContact CD1-CB 4.46Å; L140-A143 WeakPolarHBondContact O-CA 3.49Å; L140-A143 VanDerWaalsContact O-CB 3.32Å; L140-A143 WeakPolarHBondContact O-CB 3.44Å; L140-A143 PolarHBondContact O-N 3.41Å; L140-Y144 HydrophobicContact CD1-CD2 4.24Å; L140-Y144 HydrophobicContact CD1-CE2 3.92Å; L140-Y144 HydrophobicContact CD2-CE2 4.31Å; L140-Y144 HydrophobicContact CG-CD2 4.06Å; L140-Y144 HydrophobicContact CG-CE2 3.89Å; L140-Y144 WeakPolarHBondContact O-CD2 3.26Å; L140-Y144 PolarHBondContact O-N 3.05Å; L140-L160 HydrophobicContact CB-CD1 4.01Å; L140-L160 HydrophobicContact CD2-CD1 3.85Å; L140-L160 HydrophobicContact CD2-CD2 4.06Å; L140-L160 HydrophobicContact CG-CD1 3.6Å
141	G	98.4	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-41.6	173.5	0	0	0	0	0	111.7	A137 Y138 A143 Y144 Y145 A157	A137-G141 PolarHBondContact O-N 3.31Å; Y138-G141 PolarHBondContact O-N 3.26Å; G141-A143 VanDerWaalsContact C-N 3.34Å; G141-A143 PolarHBondContact O-N 3.49Å; G141-Y144 PolarHBondContact O-N 3.35Å; G141-Y145 WeakPolarHBondContact O-CB 3.46Å; G141-Y145 PolarHBondContact O-N 3.46Å; G141-A157 VanDerWaalsContact O-CB 3.28Å; G141-A157 WeakPolarHBondContact O-CB 3.41Å
142	R	97.7	Very high	97.6	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-57.7	-45.6	169.7	177.6	-178.8	72.3	-112.4	6.3	111.5	L3 T4 S5 Y102 D103 Y138 N139 L140 Y144 Y145 E146	L3-R142 HydrophobicContact CB-CG 3.76Å; L3-R142 HydrophobicContact CD1-CB 4.45Å; L3-R142 HydrophobicContact CD1-CG 4.08Å; T4-R142 VanDerWaalsContact C-NH1 3.31Å; T4-R142 PolarHBondContact O-NH1 3.08Å; S5-R142 PolarHBondContact OG-NH2 2.97Å; Y102-R142 VanDerWaalsContact CE1-NE 3.3Å; Y102-R142 VanDerWaalsContact CE1-NH2 3.3Å; D103-R142 IonicContact OD1-NH2 3.98Å; Y138-R142 PolarHBondContact O-N 3.42Å; N139-R142 WeakPolarHBondContact O-CB 3.36Å; N139-R142 PolarHBondContact O-N 3.2Å; N139-R142 PolarHBondContact OD1-NH1 2.93Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.06Å; R142-Y144 VanDerWaalsContact C-N 3.33Å; R142-Y144 PolarHBondContact O-N 2.84Å; R142-Y145 PolarHBondContact O-N 2.82Å; R142-Y145 VanDerWaalsContact O-N 3.17Å; R142-E146 HydrophobicContact CG-CG 4.05Å; R142-E146 WeakPolarHBondContact O-CB 3.42Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.45Å
143	A	98.2	Very high	97.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-45.1	179.6	0	0	0	0	0	112.6	Y102 V115 N139 L140 G141 G147 K148 V150	Y102-A143 HydrophobicContact CD2-CB 4.48Å; Y102-A143 HydrophobicContact CE2-CB 3.54Å; Y102-A143 WeakPolarHBondContact OH-CA 3.44Å; V115-A143 HydrophobicContact CG2-CB 3.62Å; N139-A143 PolarHBondContact O-N 3.28Å; L140-A143 HydrophobicContact CD1-CB 4.46Å; L140-A143 WeakPolarHBondContact O-CA 3.49Å; L140-A143 VanDerWaalsContact O-CB 3.32Å; L140-A143 WeakPolarHBondContact O-CB 3.44Å; L140-A143 PolarHBondContact O-N 3.41Å; G141-A143 VanDerWaalsContact C-N 3.34Å; G141-A143 PolarHBondContact O-N 3.49Å; A143-G147 WeakPolarHBondContact O-CA 3.41Å; A143-G147 PolarHBondContact O-N 3.36Å; A143-K148 PolarHBondContact O-N 3.31Å; A143-V150 VanDerWaalsContact C-CG2 3.43Å; A143-V150 HydrophobicContact CB-CG2 3.96Å; A143-V150 WeakPolarHBondContact O-CG2 3.3Å
144	Y	98.4	Very high	97.6	Very high	46 Å²	46	37.1 Å²	37.1	18%	0.18	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-38	174.8	-82	-74.6	0	0	0	113.2	L140 G141 R142 V150 K151 R152 S153 E156 L160	L140-Y144 HydrophobicContact CD1-CD2 4.24Å; L140-Y144 HydrophobicContact CD1-CE2 3.92Å; L140-Y144 HydrophobicContact CD2-CE2 4.31Å; L140-Y144 HydrophobicContact CG-CD2 4.06Å; L140-Y144 HydrophobicContact CG-CE2 3.89Å; L140-Y144 WeakPolarHBondContact O-CD2 3.26Å; L140-Y144 PolarHBondContact O-N 3.05Å; G141-Y144 PolarHBondContact O-N 3.35Å; R142-Y144 VanDerWaalsContact C-N 3.33Å; R142-Y144 PolarHBondContact O-N 2.84Å; Y144-V150 HydrophobicContact CD1-CB 4.27Å; Y144-V150 HydrophobicContact CD1-CG2 3.81Å; Y144-V150 HydrophobicContact CD2-CG2 4.29Å; Y144-V150 HydrophobicContact CE1-CB 4.08Å; Y144-V150 HydrophobicContact CE1-CG1 4.47Å; Y144-V150 HydrophobicContact CE1-CG2 4.1Å; Y144-V150 HydrophobicContact CG-CG2 3.92Å; Y144-K151 WeakPolarHBondContact CD1-O 3.37Å; Y144-R152 CarbonylContact O-C 3.59Å; Y144-R152 VanDerWaalsContact O-CA 3.24Å; Y144-R152 WeakPolarHBondContact O-CA 3.45Å; Y144-R152 WeakPolarHBondContact O-CG 3.36Å; Y144-S153 PolarHBondContact O-N 3.34Å; Y144-E156 HydrophobicContact CD1-CB 3.73Å; Y144-E156 HydrophobicContact CD1-CG 4.29Å; Y144-E156 HydrophobicContact CD2-CB 4.03Å; Y144-E156 HydrophobicContact CE1-CB 4.06Å; Y144-E156 HydrophobicContact CE1-CG 4.16Å; Y144-E156 HydrophobicContact CE2-CB 4.35Å; Y144-E156 HydrophobicContact CG-CB 3.71Å; Y144-L160 HydrophobicContact CD2-CD1 3.54Å; Y144-L160 HydrophobicContact CE2-CD1 3.87Å
145	Y	96.6	Very high	97.6	Very high	44 Å²	44	41.1 Å²	41.1	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-43.6	177.8	-177.5	-101.5	0	0	0	112.3	M1 L3 G141 R142 R152 W161 Y183	M1-Y145 HydrophobicContact CE-CE1 4.11Å; L3-Y145 HydrophobicContact CD1-CD1 4.1Å; G141-Y145 WeakPolarHBondContact O-CB 3.46Å; G141-Y145 PolarHBondContact O-N 3.46Å; R142-Y145 PolarHBondContact O-N 2.82Å; R142-Y145 VanDerWaalsContact O-N 3.17Å; Y145-R152 PolarHBondContact O-NE 2.86Å; Y145-W161 HydrophobicContact CD1-CH2 4.21Å; Y145-W161 AromaticContact CD2-CH2 3.8Å; Y145-W161 HydrophobicContact CD2-CH2 3.8Å; Y145-W161 HydrophobicContact CD2-CZ3 4.16Å; Y145-W161 HydrophobicContact CE2-CH2 4.5Å; Y145-W161 AromaticContact CG-CH2 3.62Å; Y145-W161 HydrophobicContact CG-CH2 3.62Å; Y145-W161 HydrophobicContact CG-CZ2 4.39Å; Y145-W161 HydrophobicContact CG-CZ3 4.42Å; Y145-Y183 HydrophobicContact CE2-CD2 4.44Å
146	E	95.4	Very high	97.7	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-81.5	-21.1	-179.6	-64.2	-169.7	173.1	0	0	113	L3 R142 K148	L3-E146 PolarHBondContact N-OE1 3.42Å; L3-E146 VanDerWaalsContact N-OE1 3.1Å; R142-E146 HydrophobicContact CG-CG 4.05Å; R142-E146 WeakPolarHBondContact O-CB 3.42Å; R142-E146 WeakPolarHBondContact O-CG 3.48Å; R142-E146 PolarHBondContact O-N 3.45Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 HydrophobicContact CB-CD 4.36Å; E146-K148 HydrophobicContact CB-CG 4.15Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 VanDerWaalsContact OE2-CE 3.29Å; E146-K148 WeakPolarHBondContact OE2-CE 3.37Å; E146-K148 IonicContact OE2-NZ 2.74Å; E146-K148 PolarHBondContact OE2-NZ 2.75Å
147	G	96.7	Very high	97.7	Very high	31 Å²	31	43.7 Å²	43.7	32%	0.32	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	28.2	-174.5	0	0	0	0	0	113.8	A143 V150	A143-G147 WeakPolarHBondContact O-CA 3.41Å; A143-G147 PolarHBondContact O-N 3.36Å; G147-V150 CarbonylContact C-O 3.11Å; G147-V150 WeakPolarHBondContact CA-O 3.39Å
148	K	96.3	Very high	97.6	Very high	88 Å²	88	45.1 Å²	45.1	38%	0.383	22%	0.218	S	C	.	.	S	Bend	trans	-102.7	124	178.9	-66.5	-179.4	-173.1	156.3	0	110.3	Y102 A143 E146 V150	Y102-K148 HydrophobicContact CE2-CB 4.26Å; A143-K148 PolarHBondContact O-N 3.31Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 HydrophobicContact CB-CD 4.36Å; E146-K148 HydrophobicContact CB-CG 4.15Å; E146-K148 WeakPolarHBondContact OE2-CD 3.41Å; E146-K148 VanDerWaalsContact OE2-CE 3.29Å; E146-K148 WeakPolarHBondContact OE2-CE 3.37Å; E146-K148 IonicContact OE2-NZ 2.74Å; E146-K148 PolarHBondContact OE2-NZ 2.75Å; K148-V150 PolarHBondContact O-N 2.82Å
149	G	96.6	Very high	97.6	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	25%	0.245	S	C	.	.	S	Bend	trans	72.6	-5.7	-176.2	0	0	0	0	0	114.8
150	V	98	Very high	97.7	Very high	22 Å²	22	52.8 Å²	52.8	13%	0.133	25%	0.248	C	C	.	.	S	Bend	trans	-148.7	158.2	174.6	-69.4	0	0	0	0	109.9	V115 A143 Y144 G147 K148 R152	V115-V150 HydrophobicContact CB-CG1 4.29Å; V115-V150 HydrophobicContact CG1-CG1 3.46Å; V115-V150 VanDerWaalsContact CG1-CG1 3.46Å; V115-V150 HydrophobicContact CG2-CG1 3.99Å; A143-V150 VanDerWaalsContact C-CG2 3.43Å; A143-V150 HydrophobicContact CB-CG2 3.96Å; A143-V150 WeakPolarHBondContact O-CG2 3.3Å; Y144-V150 HydrophobicContact CD1-CB 4.27Å; Y144-V150 HydrophobicContact CD1-CG2 3.81Å; Y144-V150 HydrophobicContact CD2-CG2 4.29Å; Y144-V150 HydrophobicContact CE1-CB 4.08Å; Y144-V150 HydrophobicContact CE1-CG1 4.47Å; Y144-V150 HydrophobicContact CE1-CG2 4.1Å; Y144-V150 HydrophobicContact CG-CG2 3.92Å; G147-V150 CarbonylContact C-O 3.11Å; G147-V150 WeakPolarHBondContact CA-O 3.39Å; K148-V150 PolarHBondContact O-N 2.82Å; V150-R152 PolarHBondContact O-N 3.1Å
151	K	98.2	Very high	97.7	Very high	190 Å²	190	52.4 Å²	52.4	83%	0.826	25%	0.246	S	C	*	.			trans	-61.8	130.7	169.1	-175.4	178.9	178.4	-177.9	0	109.7	Y144 S153	Y144-K151 WeakPolarHBondContact CD1-O 3.37Å; K151-S153 PolarHBondContact O-N 3.45Å
152	R	97.9	Very high	97.7	Very high	152 Å²	152	55.5 Å²	55.5	57%	0.574	26%	0.262	S	S	*	.			trans	-56.7	131.6	178.8	-168	175.5	-179.4	-177.5	-3.7	111.8	Y144 Y145 V150	Y144-R152 CarbonylContact O-C 3.59Å; Y144-R152 VanDerWaalsContact O-CA 3.24Å; Y144-R152 WeakPolarHBondContact O-CA 3.45Å; Y144-R152 WeakPolarHBondContact O-CG 3.36Å; Y145-R152 PolarHBondContact O-NE 2.86Å; V150-R152 PolarHBondContact O-N 3.1Å
153	S	98.1	Very high	97.7	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	28%	0.283	C	S	.	.			trans	-152.9	122.7	171.2	169.5	0	0	0	0	110	Y144 K151 E155 E156 A157	Y144-S153 PolarHBondContact O-N 3.34Å; K151-S153 PolarHBondContact O-N 3.45Å; S153-E155 VanDerWaalsContact C-N 3.33Å; S153-E155 PolarHBondContact OG-N 3.03Å; S153-E155 PolarHBondContact OG-OE2 2.85Å; S153-E156 PolarHBondContact OG-N 3.41Å; S153-E156 VanDerWaalsContact OG-N 3.13Å; S153-A157 WeakPolarHBondContact O-CB 3.36Å; S153-A157 PolarHBondContact O-N 2.88Å
154	N	96.3	Very high	97.7	Very high	57 Å²	57	60.3 Å²	60.3	31%	0.305	28%	0.283	S	S	.	.	H	α-helix	trans	-74.4	-30.7	176.4	-68.9	-21.9	0	0	0	111	A157 E158 Y183	N154-A157 PolarHBondContact O-N 3.4Å; N154-E158 VanDerWaalsContact O-CB 3.3Å; N154-E158 WeakPolarHBondContact O-CB 3.44Å; N154-E158 PolarHBondContact O-N 2.85Å; N154-Y183 HydrophobicContact CB-CE2 4.34Å
155	E	97.4	Very high	97.7	Very high	128 Å²	128	58.1 Å²	58.1	60%	0.598	28%	0.275	S	S	*	.	H	α-helix	trans	-66.3	-45.6	179.4	-56.9	72.7	-158.1	0	0	110.9	S153 E158 R159	S153-E155 VanDerWaalsContact C-N 3.33Å; S153-E155 PolarHBondContact OG-N 3.03Å; S153-E155 PolarHBondContact OG-OE2 2.85Å; E155-E158 PolarHBondContact O-N 3.06Å; E155-R159 WeakPolarHBondContact O-CB 3.38Å; E155-R159 PolarHBondContact O-N 3.45Å
156	E	98.3	Very high	97.8	Very high	57 Å²	57	59.4 Å²	59.4	27%	0.266	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-37.8	174.9	-75.3	-57.9	125.5	0	0	112	Y144 S153 R159 L160	Y144-E156 HydrophobicContact CD1-CB 3.73Å; Y144-E156 HydrophobicContact CD1-CG 4.29Å; Y144-E156 HydrophobicContact CD2-CB 4.03Å; Y144-E156 HydrophobicContact CE1-CB 4.06Å; Y144-E156 HydrophobicContact CE1-CG 4.16Å; Y144-E156 HydrophobicContact CE2-CB 4.35Å; Y144-E156 HydrophobicContact CG-CB 3.71Å; S153-E156 PolarHBondContact OG-N 3.41Å; S153-E156 VanDerWaalsContact OG-N 3.13Å; E156-R159 PolarHBondContact O-N 3.11Å; E156-R159 IonicContact OE1-NE 2.7Å; E156-R159 IonicContact OE2-CZ 3.73Å; E156-R159 VanDerWaalsContact OE2-CZ 3.26Å; E156-R159 IonicContact OE2-NE 3.39Å; E156-R159 PolarHBondContact OE2-NE 3.23Å; E156-R159 IonicContact OE2-NH2 2.83Å; E156-R159 PolarHBondContact OE2-NH2 3.17Å; E156-L160 WeakPolarHBondContact O-CB 3.4Å; E156-L160 WeakPolarHBondContact O-CD1 3.49Å; E156-L160 VanDerWaalsContact O-CG 3.29Å; E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 3.39Å
157	A	98.3	Very high	97.8	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-48.8	173.9	0	0	0	0	0	111.6	G141 S153 N154 L160 W161	G141-A157 VanDerWaalsContact O-CB 3.28Å; G141-A157 WeakPolarHBondContact O-CB 3.41Å; S153-A157 WeakPolarHBondContact O-CB 3.36Å; S153-A157 PolarHBondContact O-N 2.88Å; N154-A157 PolarHBondContact O-N 3.4Å; A157-L160 PolarHBondContact O-N 3.04Å; A157-W161 HydrophobicContact CB-CE3 4.36Å; A157-W161 HydrophobicContact CB-CH2 4.33Å; A157-W161 HydrophobicContact CB-CZ3 4.2Å; A157-W161 WeakPolarHBondContact O-CB 3.35Å; A157-W161 VanDerWaalsContact O-CG 3.31Å; A157-W161 PolarHBondContact O-N 3.35Å
158	E	98.3	Very high	97.6	Very high	30 Å²	30	62.2 Å²	62.2	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-59.4	-48	176.5	-178.5	174	179.5	0	0	111.2	N154 E155 L160 W161 L162 Y183 Y184 K187	N154-E158 VanDerWaalsContact O-CB 3.3Å; N154-E158 WeakPolarHBondContact O-CB 3.44Å; N154-E158 PolarHBondContact O-N 2.85Å; E155-E158 PolarHBondContact O-N 3.06Å; E158-L160 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 3.43Å; E158-W161 PolarHBondContact O-N 2.76Å; E158-L162 HydrophobicContact CG-CD1 3.99Å; E158-L162 HydrophobicContact CG-CG 4.46Å; E158-L162 WeakPolarHBondContact O-CB 3.48Å; E158-L162 VanDerWaalsContact O-CG 3.26Å; E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 3.08Å; E158-Y183 HydrophobicContact CB-CE1 4.02Å; E158-Y183 HydrophobicContact CG-CE1 3.87Å; E158-Y183 VanDerWaalsContact OE2-CE1 3.22Å; E158-Y183 WeakPolarHBondContact OE2-CE1 3.46Å; E158-Y183 PolarHBondContact OE2-OH 3.37Å; E158-Y184 VanDerWaalsContact OE1-CE1 3.29Å; E158-Y184 WeakPolarHBondContact OE1-CE1 3.49Å; E158-Y184 VanDerWaalsContact OE1-CZ 3.29Å; E158-Y184 PolarHBondContact OE1-OH 2.99Å; E158-K187 IonicContact OE1-NZ 2.95Å; E158-K187 IonicContact OE2-NZ 2.78Å; E158-K187 PolarHBondContact OE2-NZ 3.24Å
159	R	98.7	Very high	97.5	Very high	151 Å²	151	60.3 Å²	60.3	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-56.6	-46.9	177.5	-174.1	-177.9	76.3	111.8	-0.5	112.2	E155 E156 F163	E155-R159 WeakPolarHBondContact O-CB 3.38Å; E155-R159 PolarHBondContact O-N 3.45Å; E156-R159 PolarHBondContact O-N 3.11Å; E156-R159 IonicContact OE1-NE 2.7Å; E156-R159 IonicContact OE2-CZ 3.73Å; E156-R159 VanDerWaalsContact OE2-CZ 3.26Å; E156-R159 IonicContact OE2-NE 3.39Å; E156-R159 PolarHBondContact OE2-NE 3.23Å; E156-R159 IonicContact OE2-NH2 2.83Å; E156-R159 PolarHBondContact OE2-NH2 3.17Å; R159-F163 PolarHBondContact O-N 3.25Å; R159-F163 VanDerWaalsContact O-N 3.11Å
160	L	98.8	Very high	97.4	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-69.9	-38.7	-179	-74	165.3	0	0	0	112.1	L122 A137 L140 Y144 E156 A157 E158 F163 A164	L122-L160 HydrophobicContact CD1-CD2 4.16Å; A137-L160 HydrophobicContact CB-CD2 4.37Å; L140-L160 HydrophobicContact CB-CD1 4.01Å; L140-L160 HydrophobicContact CD2-CD1 3.85Å; L140-L160 HydrophobicContact CD2-CD2 4.06Å; L140-L160 HydrophobicContact CG-CD1 3.6Å; Y144-L160 HydrophobicContact CD2-CD1 3.54Å; Y144-L160 HydrophobicContact CE2-CD1 3.87Å; E156-L160 WeakPolarHBondContact O-CB 3.4Å; E156-L160 WeakPolarHBondContact O-CD1 3.49Å; E156-L160 VanDerWaalsContact O-CG 3.29Å; E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 3.39Å; A157-L160 PolarHBondContact O-N 3.04Å; E158-L160 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 3.43Å; L160-F163 PolarHBondContact O-N 2.77Å; L160-A164 VanDerWaalsContact O-CB 3.28Å; L160-A164 WeakPolarHBondContact O-CB 3.24Å; L160-A164 PolarHBondContact O-N 3.19Å
161	W	98.8	Very high	97.1	Very high	1 Å²	1	71 Å²	71	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-68.8	-37.9	175.1	-69.8	-27.9	0	0	0	112.6	L3 Y138 Y145 A157 E158 F163 A164 A165 A176 M179 L180 Y183	L3-W161 HydrophobicContact CD1-CH2 4.19Å; L3-W161 HydrophobicContact CD1-CZ2 3.93Å; Y138-W161 AromaticContact CD2-CD1 3.74Å; Y138-W161 AromaticContact CD2-NE1 3.64Å; Y138-W161 AromaticContact CE2-NE1 3.93Å; Y138-W161 PolarHBondContact O-NE1 2.7Å; Y145-W161 HydrophobicContact CD1-CH2 4.21Å; Y145-W161 AromaticContact CD2-CH2 3.8Å; Y145-W161 HydrophobicContact CD2-CH2 3.8Å; Y145-W161 HydrophobicContact CD2-CZ3 4.16Å; Y145-W161 HydrophobicContact CE2-CH2 4.5Å; Y145-W161 AromaticContact CG-CH2 3.62Å; Y145-W161 HydrophobicContact CG-CH2 3.62Å; Y145-W161 HydrophobicContact CG-CZ2 4.39Å; Y145-W161 HydrophobicContact CG-CZ3 4.42Å; A157-W161 HydrophobicContact CB-CE3 4.36Å; A157-W161 HydrophobicContact CB-CH2 4.33Å; A157-W161 HydrophobicContact CB-CZ3 4.2Å; A157-W161 WeakPolarHBondContact O-CB 3.35Å; A157-W161 VanDerWaalsContact O-CG 3.31Å; A157-W161 PolarHBondContact O-N 3.35Å; E158-W161 PolarHBondContact O-N 2.76Å; W161-F163 VanDerWaalsContact C-N 3.33Å; W161-F163 PolarHBondContact O-N 2.83Å; W161-A164 PolarHBondContact O-N 2.62Å; W161-A165 WeakPolarHBondContact O-CB 3.42Å; W161-A165 PolarHBondContact O-N 3.32Å; W161-A176 HydrophobicContact CB-CB 4.39Å; W161-M179 HydrophobicContact CD2-CB 4.38Å; W161-M179 HydrophobicContact CD2-CG 3.84Å; W161-M179 HydrophobicContact CE3-CG 3.82Å; W161-M179 HydrophobicContact CH2-CG 3.48Å; W161-M179 VanDerWaalsContact CH2-CG 3.48Å; W161-M179 HydrophobicContact CH2-SD 4.15Å; W161-M179 HydrophobicContact CZ2-CG 3.5Å; W161-M179 HydrophobicContact CZ2-SD 4.41Å; W161-M179 HydrophobicContact CZ3-CG 3.65Å; W161-L180 HydrophobicContact CB-CD1 4.32Å; W161-L180 HydrophobicContact CB-CD2 3.85Å; W161-L180 HydrophobicContact CB-CG 3.9Å; W161-Y183 HydrophobicContact CZ3-CD2 4.35Å; W161-Y183 HydrophobicContact CZ3-CG 4.48Å
162	L	98.8	Very high	96.9	Very high	66 Å²	66	62.5 Å²	62.5	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-44.1	172.5	-73.9	168.8	0	0	0	111.4	E158 D166 L180 W198	E158-L162 HydrophobicContact CG-CD1 3.99Å; E158-L162 HydrophobicContact CG-CG 4.46Å; E158-L162 WeakPolarHBondContact O-CB 3.48Å; E158-L162 VanDerWaalsContact O-CG 3.26Å; E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 3.08Å; L162-D166 PolarHBondContact O-N 3.24Å; L162-L180 HydrophobicContact CD2-CD1 3.95Å; L162-L180 HydrophobicContact CD2-CD2 4.12Å; L162-L180 HydrophobicContact CG-CD1 4.4Å; L162-L180 HydrophobicContact CG-CD2 4.1Å; L162-W198 HydrophobicContact CD2-CH2 4.35Å; L162-W198 HydrophobicContact CD2-CZ2 3.49Å; L162-W198 VanDerWaalsContact CD2-CZ2 3.49Å
163	F	98.6	Very high	96.9	Very high	102 Å²	102	55.3 Å²	55.3	45%	0.447	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-44.8	173.4	174.9	-90	0	0	0	112	L122 K133 F134 A137 R159 L160 W161 A165 D166	L122-F163 HydrophobicContact CD2-CE1 4.16Å; K133-F163 HydrophobicContact CB-CE1 4.24Å; K133-F163 HydrophobicContact CB-CZ 4.47Å; F134-F163 HydrophobicContact CD1-CE1 4.28Å; F134-F163 WeakPolarHBondContact CD1-O 3.34Å; A137-F163 HydrophobicContact CB-CD1 3.54Å; A137-F163 HydrophobicContact CB-CE1 4.04Å; R159-F163 PolarHBondContact O-N 3.25Å; R159-F163 VanDerWaalsContact O-N 3.11Å; L160-F163 PolarHBondContact O-N 2.77Å; W161-F163 VanDerWaalsContact C-N 3.33Å; W161-F163 PolarHBondContact O-N 2.83Å; F163-A165 VanDerWaalsContact C-N 3.32Å; F163-A165 PolarHBondContact O-N 2.87Å; F163-D166 PolarHBondContact O-N 3.15Å
164	A	98.4	Very high	96.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-34.8	-179.4	0	0	0	0	0	112.9	F134 A137 L160 W161 A172 S173 A176	F134-A164 VanDerWaalsContact O-CB 3.28Å; F134-A164 WeakPolarHBondContact O-CB 3.35Å; A137-A164 HydrophobicContact CB-CB 3.86Å; L160-A164 VanDerWaalsContact O-CB 3.28Å; L160-A164 WeakPolarHBondContact O-CB 3.24Å; L160-A164 PolarHBondContact O-N 3.19Å; W161-A164 PolarHBondContact O-N 2.62Å; A164-A172 WeakPolarHBondContact O-CB 3.45Å; A164-S173 WeakPolarHBondContact O-CB 3.43Å; A164-S173 PolarHBondContact O-N 2.56Å; A164-A176 HydrophobicContact CB-CB 3.55Å
165	A	98.3	Very high	96.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-77.7	-22.3	-179.3	0	0	0	0	0	113.3	W161 F163 N167 G168 N169 A176 Q177 L180 W198	W161-A165 WeakPolarHBondContact O-CB 3.42Å; W161-A165 PolarHBondContact O-N 3.32Å; F163-A165 VanDerWaalsContact C-N 3.32Å; F163-A165 PolarHBondContact O-N 2.87Å; A165-N167 PolarHBondContact O-N 2.9Å; A165-G168 PolarHBondContact O-N 3.14Å; A165-G168 VanDerWaalsContact O-N 3.09Å; A165-N169 PolarHBondContact O-N 3.42Å; A165-A176 HydrophobicContact CB-CB 4.09Å; A165-Q177 HydrophobicContact CB-CG 3.65Å; A165-Q177 PolarHBondContact O-NE2 3.43Å; A165-L180 HydrophobicContact CB-CD1 3.67Å; A165-W198 HydrophobicContact CB-CE3 4.27Å; A165-W198 HydrophobicContact CB-CH2 3.88Å; A165-W198 HydrophobicContact CB-CZ3 3.55Å
166	D	97.7	Very high	96.9	Very high	70 Å²	70	47.8 Å²	47.8	37%	0.374	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	45.5	55	175.2	-171.7	39.4	0	0	0	112.9	F134 L162 F163 G168 N169 A172	F134-D166 HydrophobicContact CD1-CB 4.41Å; F134-D166 HydrophobicContact CE1-CB 3.75Å; F134-D166 HydrophobicContact CZ-CB 4.05Å; L162-D166 PolarHBondContact O-N 3.24Å; F163-D166 PolarHBondContact O-N 3.15Å; D166-G168 PolarHBondContact O-N 3.02Å; D166-G168 VanDerWaalsContact O-N 3.15Å; D166-N169 HydrophobicContact CB-CB 3.93Å; D166-N169 WeakPolarHBondContact O-CB 3.48Å; D166-N169 PolarHBondContact O-N 2.71Å; D166-N169 WeakPolarHBondContact OD2-CB 3.05Å; D166-N169 PolarHBondContact OD2-ND2 3.14Å; D166-A172 HydrophobicContact CB-CB 3.63Å
167	N	95.1	Very high	96.9	Very high	125 Å²	125	45.1 Å²	45.1	67%	0.668	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	51.1	40.6	178.8	-163.9	69.4	0	0	0	113.9	A165 Y197	A165-N167 PolarHBondContact O-N 2.9Å; N167-Y197 PolarHBondContact OD1-OH 3.49Å
168	G	93.7	Very high	96.9	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	86.3	6.3	177.1	0	0	0	0	0	114.7	A165 D166 P170 Q177 E201 N205	A165-G168 PolarHBondContact O-N 3.14Å; A165-G168 VanDerWaalsContact O-N 3.09Å; D166-G168 PolarHBondContact O-N 3.02Å; D166-G168 VanDerWaalsContact O-N 3.15Å; G168-P170 WeakPolarHBondContact O-CD 3.46Å; G168-Q177 PolarHBondContact O-NE2 3.24Å; G168-E201 WeakPolarHBondContact CA-OE2 3.37Å; G168-N205 PolarHBondContact O-ND2 3.23Å
169	N	94.5	Very high	96.9	Very high	48 Å²	48	44.2 Å²	44.2	26%	0.257	22%	0.218	S	C	.	.			trans	-56.9	121.3	-178.4	-179.9	-2.8	0	0	0	112.2	A165 D166 K171 A172 Q177	A165-N169 PolarHBondContact O-N 3.42Å; D166-N169 HydrophobicContact CB-CB 3.93Å; D166-N169 WeakPolarHBondContact O-CB 3.48Å; D166-N169 PolarHBondContact O-N 2.71Å; D166-N169 WeakPolarHBondContact OD2-CB 3.05Å; D166-N169 PolarHBondContact OD2-ND2 3.14Å; N169-K171 PolarHBondContact O-N 3.3Å; N169-K171 VanDerWaalsContact O-N 3.1Å; N169-K171 WeakPolarHBondContact OD1-CB 3.42Å; N169-K171 PolarHBondContact OD1-N 2.94Å; N169-A172 HydrophobicContact CB-CB 3.98Å; N169-A172 WeakPolarHBondContact O-CB 3.35Å; N169-A172 PolarHBondContact O-N 2.95Å; N169-Q177 PolarHBondContact O-NE2 2.8Å; N169-Q177 VanDerWaalsContact O-NE2 3.16Å
170	P	93.1	Very high	96.9	Very high	85 Å²	85	37 Å²	37	55%	0.552	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.4	178.9	18.7	-30.6	0	0	0	114.4	G168 N205	G168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-N205 VanDerWaalsContact CB-OD1 3.3Å; P170-N205 WeakPolarHBondContact CB-OD1 3.43Å
171	K	91.4	Very high	96.8	Very high	187 Å²	187	36.4 Å²	36.4	81%	0.813	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.5	178.7	-61.3	179.1	-179.4	172.4	0	112.9	N169	N169-K171 PolarHBondContact O-N 3.3Å; N169-K171 VanDerWaalsContact O-N 3.1Å; N169-K171 WeakPolarHBondContact OD1-CB 3.42Å; N169-K171 PolarHBondContact OD1-N 2.94Å
172	A	95.3	Very high	96.7	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	19%	0.193	C	C	.	.	S	Bend	trans	-96.5	-159.9	176.2	0	0	0	0	0	110.7	F134 A164 D166 N169 V174	F134-A172 HydrophobicContact CB-CB 4.36Å; F134-A172 HydrophobicContact CD1-CB 4.07Å; F134-A172 HydrophobicContact CD2-CB 3.76Å; F134-A172 HydrophobicContact CE1-CB 4.26Å; F134-A172 HydrophobicContact CE2-CB 3.95Å; F134-A172 HydrophobicContact CG-CB 3.81Å; F134-A172 HydrophobicContact CZ-CB 4.19Å; A164-A172 WeakPolarHBondContact O-CB 3.45Å; D166-A172 HydrophobicContact CB-CB 3.63Å; N169-A172 HydrophobicContact CB-CB 3.98Å; N169-A172 WeakPolarHBondContact O-CB 3.35Å; N169-A172 PolarHBondContact O-N 2.95Å; A172-V174 PolarHBondContact O-N 3.33Å
173	S	97.1	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.			trans	-81.1	101.7	-179.2	179.8	0	0	0	0	111.3	E6 A164 K175 A176 Q177	E6-S173 VanDerWaalsContact CD-OG 3.22Å; E6-S173 PolarHBondContact OE1-OG 3.23Å; E6-S173 VanDerWaalsContact OE2-CB 3.24Å; E6-S173 WeakPolarHBondContact OE2-CB 3.48Å; E6-S173 PolarHBondContact OE2-OG 3.25Å; A164-S173 WeakPolarHBondContact O-CB 3.43Å; A164-S173 PolarHBondContact O-N 2.56Å; S173-K175 PolarHBondContact O-N 3.34Å; S173-A176 WeakPolarHBondContact O-CB 3.31Å; S173-A176 PolarHBondContact O-N 3.22Å; S173-A176 WeakPolarHBondContact OG-CB 3.44Å; S173-A176 PolarHBondContact OG-N 3.41Å; S173-Q177 PolarHBondContact O-N 2.94Å; S173-Q177 VanDerWaalsContact O-N 3.17Å
174	V	97.1	Very high	96.6	Very high	29 Å²	29	30.4 Å²	30.4	18%	0.176	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-29.4	169.6	179.2	0	0	0	0	110.8	A172 Q177 S178 N205 N207	A172-V174 PolarHBondContact O-N 3.33Å; V174-Q177 WeakPolarHBondContact O-CB 3.41Å; V174-Q177 PolarHBondContact O-N 2.95Å; V174-S178 PolarHBondContact O-N 3.34Å; V174-N205 HydrophobicContact CG1-CB 4.07Å; V174-N205 HydrophobicContact CG2-CB 3.64Å; V174-N207 HydrophobicContact CG1-CB 3.76Å
175	K	96.6	Very high	96.5	Very high	25 Å²	25	31.8 Å²	31.8	11%	0.109	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-37.7	176	-152.6	168	-179.3	148.6	0	111.5	T4 S5 E6 Y138 S173 M179 D287	T4-K175 WeakPolarHBondContact OG1-CE 3.48Å; T4-K175 PolarHBondContact OG1-NZ 3.33Å; S5-K175 PolarHBondContact O-NZ 2.98Å; E6-K175 HydrophobicContact CB-CD 4.31Å; Y138-K175 HydrophobicContact CD1-CD 4.47Å; Y138-K175 HydrophobicContact CD2-CB 4.26Å; Y138-K175 HydrophobicContact CE1-CB 4.41Å; Y138-K175 HydrophobicContact CE1-CD 3.67Å; Y138-K175 HydrophobicContact CE1-CG 4.02Å; Y138-K175 HydrophobicContact CE2-CB 3.98Å; Y138-K175 HydrophobicContact CE2-CD 4.37Å; Y138-K175 HydrophobicContact CE2-CG 3.79Å; Y138-K175 VanDerWaalsContact CZ-CG 3.5Å; Y138-K175 VanDerWaalsContact OH-CE 3.3Å; Y138-K175 WeakPolarHBondContact OH-CE 3.47Å; Y138-K175 WeakPolarHBondContact OH-CG 3.3Å; S173-K175 PolarHBondContact O-N 3.34Å; K175-M179 VanDerWaalsContact O-CB 3.31Å; K175-M179 WeakPolarHBondContact O-CB 3.3Å; K175-M179 PolarHBondContact O-N 3.18Å; K175-D287 IonicContact NZ-OD1 2.73Å; K175-D287 PolarHBondContact NZ-OD1 3.42Å; K175-D287 VanDerWaalsContact NZ-OD1 3.13Å; K175-D287 IonicContact NZ-OD2 3.77Å
176	A	98.2	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-41.1	171.6	0	0	0	0	0	112.4	Y138 W161 A164 A165 S173 M179 L180	Y138-A176 HydrophobicContact CD2-CB 3.86Å; W161-A176 HydrophobicContact CB-CB 4.39Å; A164-A176 HydrophobicContact CB-CB 3.55Å; A165-A176 HydrophobicContact CB-CB 4.09Å; S173-A176 WeakPolarHBondContact O-CB 3.31Å; S173-A176 PolarHBondContact O-N 3.22Å; S173-A176 WeakPolarHBondContact OG-CB 3.44Å; S173-A176 PolarHBondContact OG-N 3.41Å; A176-M179 PolarHBondContact O-N 3.36Å; A176-L180 WeakPolarHBondContact O-CG 3.4Å; A176-L180 PolarHBondContact O-N 3.08Å
177	Q	98.6	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-49.3	174.9	-64	164.5	5.7	0	0	111	A165 G168 N169 S173 V174 M179 L180 G181 W198 A202 N205	A165-Q177 HydrophobicContact CB-CG 3.65Å; A165-Q177 PolarHBondContact O-NE2 3.43Å; G168-Q177 PolarHBondContact O-NE2 3.24Å; N169-Q177 PolarHBondContact O-NE2 2.8Å; N169-Q177 VanDerWaalsContact O-NE2 3.16Å; S173-Q177 PolarHBondContact O-N 2.94Å; S173-Q177 VanDerWaalsContact O-N 3.17Å; V174-Q177 WeakPolarHBondContact O-CB 3.41Å; V174-Q177 PolarHBondContact O-N 2.95Å; Q177-M179 VanDerWaalsContact C-N 3.32Å; Q177-M179 PolarHBondContact O-N 2.98Å; Q177-L180 PolarHBondContact O-N 2.88Å; Q177-G181 PolarHBondContact O-N 3.01Å; Q177-G181 VanDerWaalsContact O-N 3.09Å; Q177-W198 HydrophobicContact CB-CE3 4.23Å; Q177-W198 HydrophobicContact CG-CE3 4.14Å; Q177-W198 HydrophobicContact CG-CZ3 4.13Å; Q177-A202 HydrophobicContact CB-CB 3.74Å; Q177-N205 PolarHBondContact NE2-ND2 2.85Å; Q177-N205 PolarHBondContact OE1-ND2 3.1Å
178	S	97.9	Very high	95.8	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-41.4	176.3	-173.4	0	0	0	0	112.1	V174 L180 G181 L182 N207 S210	V174-S178 PolarHBondContact O-N 3.34Å; S178-L180 PolarHBondContact O-N 3.35Å; S178-G181 PolarHBondContact O-N 3.15Å; S178-L182 PolarHBondContact O-N 2.93Å; S178-N207 PolarHBondContact OG-OD1 2.94Å; S178-N207 VanDerWaalsContact OG-OD1 3.05Å; S178-S210 PolarHBondContact OG-OG 3.18Å
179	M	97.8	Very high	95.9	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.034	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-39.3	178.3	-164	53.2	46.7	0	0	113.2	M1 L3 Y138 W161 K175 A176 Q177 G181 L182 Y183	M1-M179 HydrophobicContact CE-CE 4.49Å; M1-M179 HydrophobicContact CE-SD 3.66Å; M1-M179 HydrophobicContact SD-SD 4.45Å; L3-M179 HydrophobicContact CD1-CE 4.02Å; L3-M179 HydrophobicContact CD1-CG 4.46Å; L3-M179 HydrophobicContact CD1-SD 3.76Å; L3-M179 HydrophobicContact CD2-CE 3.2Å; L3-M179 HydrophobicContact CD2-SD 3.76Å; L3-M179 HydrophobicContact CG-CE 4.23Å; L3-M179 HydrophobicContact CG-SD 4.41Å; Y138-M179 HydrophobicContact CE2-CB 4.19Å; W161-M179 HydrophobicContact CD2-CB 4.38Å; W161-M179 HydrophobicContact CD2-CG 3.84Å; W161-M179 HydrophobicContact CE3-CG 3.82Å; W161-M179 HydrophobicContact CH2-CG 3.48Å; W161-M179 VanDerWaalsContact CH2-CG 3.48Å; W161-M179 HydrophobicContact CH2-SD 4.15Å; W161-M179 HydrophobicContact CZ2-CG 3.5Å; W161-M179 HydrophobicContact CZ2-SD 4.41Å; W161-M179 HydrophobicContact CZ3-CG 3.65Å; K175-M179 VanDerWaalsContact O-CB 3.31Å; K175-M179 WeakPolarHBondContact O-CB 3.3Å; K175-M179 PolarHBondContact O-N 3.18Å; A176-M179 PolarHBondContact O-N 3.36Å; Q177-M179 VanDerWaalsContact C-N 3.32Å; Q177-M179 PolarHBondContact O-N 2.98Å; M179-G181 VanDerWaalsContact C-N 3.33Å; M179-L182 PolarHBondContact O-N 3.27Å; M179-Y183 WeakPolarHBondContact O-CB 3.32Å; M179-Y183 PolarHBondContact O-N 2.88Å
180	L	98.5	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-41.6	173.4	-73.7	165.3	0	0	0	111.1	W161 L162 A165 A176 Q177 S178 L182 Y183 Y184 W198	W161-L180 HydrophobicContact CB-CD1 4.32Å; W161-L180 HydrophobicContact CB-CD2 3.85Å; W161-L180 HydrophobicContact CB-CG 3.9Å; L162-L180 HydrophobicContact CD2-CD1 3.95Å; L162-L180 HydrophobicContact CD2-CD2 4.12Å; L162-L180 HydrophobicContact CG-CD1 4.4Å; L162-L180 HydrophobicContact CG-CD2 4.1Å; A165-L180 HydrophobicContact CB-CD1 3.67Å; A176-L180 WeakPolarHBondContact O-CG 3.4Å; A176-L180 PolarHBondContact O-N 3.08Å; Q177-L180 PolarHBondContact O-N 2.88Å; S178-L180 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.41Å; L180-Y183 PolarHBondContact O-N 2.92Å; L180-Y184 HydrophobicContact CB-CD2 4.37Å; L180-Y184 HydrophobicContact CB-CE2 4.23Å; L180-Y184 HydrophobicContact CD2-CE2 3.97Å; L180-Y184 WeakPolarHBondContact O-CD2 3.42Å; L180-Y184 PolarHBondContact O-N 3.01Å; L180-W198 HydrophobicContact CB-CB 3.96Å; L180-W198 HydrophobicContact CB-CD2 3.88Å; L180-W198 HydrophobicContact CB-CG 3.57Å; L180-W198 HydrophobicContact CD1-CD2 3.73Å; L180-W198 HydrophobicContact CD1-CE3 3.96Å; L180-W198 HydrophobicContact CD1-CG 4.33Å; L180-W198 HydrophobicContact CD1-CH2 4.01Å; L180-W198 HydrophobicContact CD1-CZ2 3.8Å; L180-W198 HydrophobicContact CD1-CZ3 4.11Å; L180-W198 HydrophobicContact CG-CD2 4.46Å
181	G	98.3	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-54.6	-49.3	173.7	0	0	0	0	0	112	Q177 S178 M179 S185 A195 H199	Q177-G181 PolarHBondContact O-N 3.01Å; Q177-G181 VanDerWaalsContact O-N 3.09Å; S178-G181 PolarHBondContact O-N 3.15Å; M179-G181 VanDerWaalsContact C-N 3.33Å; G181-S185 WeakPolarHBondContact O-CB 3.49Å; G181-S185 PolarHBondContact O-N 3.37Å; G181-S185 VanDerWaalsContact O-N 3.07Å; G181-S185 PolarHBondContact O-OG 3.43Å; G181-A195 WeakPolarHBondContact O-CB 3.24Å; G181-H199 PolarHBondContact O-NE2 3.26Å
182	L	96.8	Very high	96.4	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-68.6	-40.7	178.7	-179.2	56.1	0	0	0	112.9	M1 S178 M179 L180 S185 T186 H199 L289 F292	M1-L182 HydrophobicContact CE-CD2 3.75Å; M1-L182 HydrophobicContact CE-CG 4.42Å; M1-L182 HydrophobicContact SD-CD2 3.18Å; M1-L182 WeakPolarHBondContact SD-CD2 3.41Å; M1-L182 HydrophobicContact SD-CG 4.34Å; S178-L182 PolarHBondContact O-N 2.93Å; M179-L182 PolarHBondContact O-N 3.27Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.41Å; L182-S185 WeakPolarHBondContact O-CB 3.34Å; L182-S185 PolarHBondContact O-N 3.17Å; L182-T186 HydrophobicContact CD1-CG2 4Å; L182-T186 WeakPolarHBondContact O-CG2 3.5Å; L182-T186 PolarHBondContact O-N 3.01Å; L182-T186 VanDerWaalsContact O-N 3.16Å; L182-T186 PolarHBondContact O-OG1 3.09Å; L182-H199 PolarHBondContact N-NE2 2.93Å; L182-L289 HydrophobicContact CD2-CD1 3.97Å; L182-F292 HydrophobicContact CD1-CE2 4.15Å; L182-F292 HydrophobicContact CD1-CZ 3.78Å; L182-F292 HydrophobicContact CD2-CE2 3.85Å; L182-F292 HydrophobicContact CD2-CZ 4.3Å
183	Y	97.1	Very high	96.5	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-50.7	177.9	173.1	-103.2	0	0	0	110.8	Y145 N154 E158 W161 M179 L180 S185 T186 K187	Y145-Y183 HydrophobicContact CE2-CD2 4.44Å; N154-Y183 HydrophobicContact CB-CE2 4.34Å; E158-Y183 HydrophobicContact CB-CE1 4.02Å; E158-Y183 HydrophobicContact CG-CE1 3.87Å; E158-Y183 VanDerWaalsContact OE2-CE1 3.22Å; E158-Y183 WeakPolarHBondContact OE2-CE1 3.46Å; E158-Y183 PolarHBondContact OE2-OH 3.37Å; W161-Y183 HydrophobicContact CZ3-CD2 4.35Å; W161-Y183 HydrophobicContact CZ3-CG 4.48Å; M179-Y183 WeakPolarHBondContact O-CB 3.32Å; M179-Y183 PolarHBondContact O-N 2.88Å; L180-Y183 PolarHBondContact O-N 2.92Å; Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.99Å; Y183-T186 PolarHBondContact O-N 2.96Å; Y183-T186 VanDerWaalsContact O-N 3.15Å; Y183-T186 PolarHBondContact O-OG1 3.18Å; Y183-K187 HydrophobicContact CE1-CD 3.84Å; Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.5Å; Y183-K187 PolarHBondContact O-N 2.93Å
184	Y	98.3	Very high	96.6	Very high	5 Å²	5	47 Å²	47	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-69.6	-23.5	177.8	-68.3	-57.2	0	0	0	113.7	E158 L180 T186 K187 E191 K194 W198	E158-Y184 VanDerWaalsContact OE1-CE1 3.29Å; E158-Y184 WeakPolarHBondContact OE1-CE1 3.49Å; E158-Y184 VanDerWaalsContact OE1-CZ 3.29Å; E158-Y184 PolarHBondContact OE1-OH 2.99Å; L180-Y184 HydrophobicContact CB-CD2 4.37Å; L180-Y184 HydrophobicContact CB-CE2 4.23Å; L180-Y184 HydrophobicContact CD2-CE2 3.97Å; L180-Y184 WeakPolarHBondContact O-CD2 3.42Å; L180-Y184 PolarHBondContact O-N 3.01Å; Y184-T186 VanDerWaalsContact C-N 3.29Å; Y184-K187 HydrophobicContact CD1-CD 4.36Å; Y184-E191 HydrophobicContact CD1-CB 3.89Å; Y184-E191 HydrophobicContact CD1-CG 4.33Å; Y184-E191 HydrophobicContact CG-CB 4.35Å; Y184-E191 PolarHBondContact O-N 2.81Å; Y184-E191 VanDerWaalsContact O-N 3.08Å; Y184-K194 HydrophobicContact CD1-CB 4.26Å; Y184-K194 HydrophobicContact CD1-CD 4.09Å; Y184-K194 HydrophobicContact CD2-CB 3.75Å; Y184-K194 HydrophobicContact CD2-CD 4.48Å; Y184-K194 HydrophobicContact CE1-CD 3.83Å; Y184-K194 HydrophobicContact CE2-CB 4.17Å; Y184-K194 HydrophobicContact CE2-CD 4.24Å; Y184-K194 HydrophobicContact CG-CB 3.8Å; Y184-K194 HydrophobicContact CG-CD 4.41Å; Y184-W198 AromaticContact CD2-CD1 3.56Å; Y184-W198 AromaticContact CE2-CD1 3.49Å; Y184-W198 VanDerWaalsContact CE2-CD1 3.49Å; Y184-W198 AromaticContact CE2-NE1 3.48Å
185	S	96.3	Very high	96.7	Very high	28 Å²	28	45.6 Å²	45.6	20%	0.196	23%	0.228	C	C	.	.	H	α-helix	trans	-70.6	-24.5	172.9	-63.7	0	0	0	0	113.4	G181 L182 Y183 A195	G181-S185 WeakPolarHBondContact O-CB 3.49Å; G181-S185 PolarHBondContact O-N 3.37Å; G181-S185 VanDerWaalsContact O-N 3.07Å; G181-S185 PolarHBondContact O-OG 3.43Å; L182-S185 WeakPolarHBondContact O-CB 3.34Å; L182-S185 PolarHBondContact O-N 3.17Å; Y183-S185 VanDerWaalsContact C-N 3.27Å; Y183-S185 PolarHBondContact O-N 2.99Å; S185-A195 VanDerWaalsContact OG-CB 3.26Å; S185-A195 WeakPolarHBondContact OG-CB 3.38Å
186	T	92.4	Very high	96.8	Very high	75 Å²	75	46 Å²	46	46%	0.46	23%	0.23	S	C	.	.	H	α-helix	trans	-119.7	-14	-170.7	57	0	0	0	0	114.4	L182 Y183 Y184	L182-T186 HydrophobicContact CD1-CG2 4Å; L182-T186 WeakPolarHBondContact O-CG2 3.5Å; L182-T186 PolarHBondContact O-N 3.01Å; L182-T186 VanDerWaalsContact O-N 3.16Å; L182-T186 PolarHBondContact O-OG1 3.09Å; Y183-T186 PolarHBondContact O-N 2.96Å; Y183-T186 VanDerWaalsContact O-N 3.15Å; Y183-T186 PolarHBondContact O-OG1 3.18Å; Y184-T186 VanDerWaalsContact C-N 3.29Å
187	K	91.6	Very high	96.8	Very high	57 Å²	57	49.8 Å²	49.8	25%	0.248	24%	0.244	C	C	.	.	S	Bend	trans	-59.6	150.8	172	-175.9	177.3	-178.7	-175.8	0	110.7	E158 Y183 Y184 P189 K190 E191	E158-K187 IonicContact OE1-NZ 2.95Å; E158-K187 IonicContact OE2-NZ 2.78Å; E158-K187 PolarHBondContact OE2-NZ 3.24Å; Y183-K187 HydrophobicContact CE1-CD 3.84Å; Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.5Å; Y183-K187 PolarHBondContact O-N 2.93Å; Y184-K187 HydrophobicContact CD1-CD 4.36Å; K187-P189 CarbonylContact O-C 3.46Å; K187-K190 WeakPolarHBondContact O-CA 3.48Å; K187-K190 WeakPolarHBondContact O-CG 3.43Å; K187-K190 PolarHBondContact O-N 3.45Å; K187-E191 WeakPolarHBondContact CD-OE1 3.49Å; K187-E191 WeakPolarHBondContact CE-OE1 3.25Å; K187-E191 IonicContact NZ-OE1 3.52Å; K187-E191 PolarHBondContact NZ-OE1 3.41Å
188	E	91.9	Very high	96.8	Very high	146 Å²	146	50.6 Å²	50.6	68%	0.682	25%	0.247	S	C	*	.	S	Bend	trans	-117.7	122.9	173.8	-67.9	-61.3	164	0	0	110.6	K190	E188-K190 VanDerWaalsContact OE1-CE 3.31Å; E188-K190 WeakPolarHBondContact OE1-CE 3.28Å
189	P	94.4	Very high	96.8	Very high	105 Å²	105	50.7 Å²	50.7	68%	0.682	25%	0.247	S	C	*	.	S	Bend	cis	-66.3	149.3	-6.2	30.9	-35.7	0	0	0	111.9	K187	K187-P189 CarbonylContact O-C 3.46Å
190	K	94.1	Very high	96.9	Very high	119 Å²	119	52.1 Å²	52.1	52%	0.517	26%	0.258	S	S	.	.			trans	-64.9	136.4	177.9	-65.9	179	-178.1	-179.8	0	111.3	K187 E188 L192	K187-K190 WeakPolarHBondContact O-CA 3.48Å; K187-K190 WeakPolarHBondContact O-CG 3.43Å; K187-K190 PolarHBondContact O-N 3.45Å; E188-K190 VanDerWaalsContact OE1-CE 3.31Å; E188-K190 WeakPolarHBondContact OE1-CE 3.28Å; K190-L192 HydrophobicContact CB-CD2 4.08Å; K190-L192 HydrophobicContact CB-CG 4.08Å; K190-L192 HydrophobicContact CD-CD2 4.35Å
191	E	98	Very high	96.9	Very high	49 Å²	49	55 Å²	55	23%	0.229	27%	0.271	C	S	.	.			trans	-111.6	62.8	179.5	-61.5	-175.4	-109.5	0	0	109.4	Y184 K187 E193 K194 A195	Y184-E191 HydrophobicContact CD1-CB 3.89Å; Y184-E191 HydrophobicContact CD1-CG 4.33Å; Y184-E191 HydrophobicContact CG-CB 4.35Å; Y184-E191 PolarHBondContact O-N 2.81Å; Y184-E191 VanDerWaalsContact O-N 3.08Å; K187-E191 WeakPolarHBondContact CD-OE1 3.49Å; K187-E191 WeakPolarHBondContact CE-OE1 3.25Å; K187-E191 IonicContact NZ-OE1 3.52Å; K187-E191 PolarHBondContact NZ-OE1 3.41Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 2.95Å; E191-K194 HydrophobicContact CB-CB 4.28Å; E191-K194 HydrophobicContact CB-CD 4.25Å; E191-K194 HydrophobicContact CB-CG 4.44Å; E191-K194 WeakPolarHBondContact O-CB 3.28Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 VanDerWaalsContact OE2-CD 3.3Å; E191-K194 WeakPolarHBondContact OE2-CD 3.49Å; E191-K194 WeakPolarHBondContact OE2-CE 3.23Å; E191-K194 IonicContact OE2-NZ 3.4Å; E191-K194 PolarHBondContact OE2-NZ 3.4Å; E191-A195 PolarHBondContact O-N 3.24Å
192	L	98.3	Very high	96.9	Very high	51 Å²	51	55 Å²	55	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-29.5	-166.1	-61.7	176.3	0	0	0	114.2	K190 A195 F196 M217 Q222 G223	K190-L192 HydrophobicContact CB-CD2 4.08Å; K190-L192 HydrophobicContact CB-CG 4.08Å; K190-L192 HydrophobicContact CD-CD2 4.35Å; L192-A195 WeakPolarHBondContact O-CB 3.2Å; L192-A195 PolarHBondContact O-N 3.42Å; L192-F196 WeakPolarHBondContact O-CB 3.46Å; L192-F196 PolarHBondContact O-N 2.93Å; L192-M217 WeakPolarHBondContact O-CE 3.15Å; L192-Q222 HydrophobicContact CD1-CB 4.07Å; L192-Q222 HydrophobicContact CD1-CG 4.49Å; L192-G223 VanDerWaalsContact CB-CA 3.5Å
193	E	98.3	Very high	96.9	Very high	157 Å²	157	55.4 Å²	55.4	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-67	-39.5	174.3	-66.4	-179.9	177.4	0	0	111.7	E191 F196 Y197	E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 2.95Å; E193-F196 PolarHBondContact O-N 3.13Å; E193-Y197 PolarHBondContact O-N 3.41Å
194	K	98.3	Very high	97	Very high	92 Å²	92	57.8 Å²	57.8	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-39.5	172.8	-68.9	-174	-178.3	169.4	0	111.2	Y184 E191 F196 Y197 W198	Y184-K194 HydrophobicContact CD1-CB 4.26Å; Y184-K194 HydrophobicContact CD1-CD 4.09Å; Y184-K194 HydrophobicContact CD2-CB 3.75Å; Y184-K194 HydrophobicContact CD2-CD 4.48Å; Y184-K194 HydrophobicContact CE1-CD 3.83Å; Y184-K194 HydrophobicContact CE2-CB 4.17Å; Y184-K194 HydrophobicContact CE2-CD 4.24Å; Y184-K194 HydrophobicContact CG-CB 3.8Å; Y184-K194 HydrophobicContact CG-CD 4.41Å; E191-K194 HydrophobicContact CB-CB 4.28Å; E191-K194 HydrophobicContact CB-CD 4.25Å; E191-K194 HydrophobicContact CB-CG 4.44Å; E191-K194 WeakPolarHBondContact O-CB 3.28Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 VanDerWaalsContact OE2-CD 3.3Å; E191-K194 WeakPolarHBondContact OE2-CD 3.49Å; E191-K194 WeakPolarHBondContact OE2-CE 3.23Å; E191-K194 IonicContact OE2-NZ 3.4Å; E191-K194 PolarHBondContact OE2-NZ 3.4Å; K194-F196 VanDerWaalsContact C-N 3.29Å; K194-F196 PolarHBondContact O-N 2.87Å; K194-Y197 PolarHBondContact O-N 2.88Å; K194-W198 PolarHBondContact O-N 3.38Å
195	A	98.6	Very high	96.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.7	-44.3	174.3	0	0	0	0	0	111.4	G181 S185 E191 L192 Y197 W198 H199 M217	G181-A195 WeakPolarHBondContact O-CB 3.24Å; S185-A195 VanDerWaalsContact OG-CB 3.26Å; S185-A195 WeakPolarHBondContact OG-CB 3.38Å; E191-A195 PolarHBondContact O-N 3.24Å; L192-A195 WeakPolarHBondContact O-CB 3.2Å; L192-A195 PolarHBondContact O-N 3.42Å; A195-Y197 PolarHBondContact O-N 2.78Å; A195-W198 PolarHBondContact O-N 2.95Å; A195-H199 WeakPolarHBondContact O-CB 3.25Å; A195-H199 PolarHBondContact O-CD2 3.11Å; A195-H199 VanDerWaalsContact O-CD2 3.28Å; A195-H199 PolarHBondContact O-N 3.28Å; A195-M217 HydrophobicContact CB-CE 4.02Å
196	F	98.6	Very high	96.8	Very high	34 Å²	34	60.2 Å²	60.2	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-46.5	178.8	-178.6	-98.5	0	0	0	110.8	L192 E193 K194 S200 L214 M217 Y218 I224	L192-F196 WeakPolarHBondContact O-CB 3.46Å; L192-F196 PolarHBondContact O-N 2.93Å; E193-F196 PolarHBondContact O-N 3.13Å; K194-F196 VanDerWaalsContact C-N 3.29Å; K194-F196 PolarHBondContact O-N 2.87Å; F196-S200 VanDerWaalsContact O-CB 3.31Å; F196-S200 WeakPolarHBondContact O-CB 2.94Å; F196-S200 PolarHBondContact O-N 2.61Å; F196-S200 PolarHBondContact O-OG 3.33Å; F196-L214 HydrophobicContact CD2-CD2 3.74Å; F196-L214 HydrophobicContact CE2-CD2 3.65Å; F196-L214 HydrophobicContact CZ-CD2 4.4Å; F196-M217 VanDerWaalsContact CA-CE 3.48Å; F196-M217 HydrophobicContact CB-CE 3.55Å; F196-M217 HydrophobicContact CB-SD 4.32Å; F196-M217 HydrophobicContact CD2-CB 4.36Å; F196-M217 HydrophobicContact CD2-CE 4.21Å; F196-M217 HydrophobicContact CD2-SD 4.28Å; F196-M217 HydrophobicContact CG-CE 4.39Å; F196-Y218 HydrophobicContact CE2-CE1 4.18Å; F196-Y218 HydrophobicContact CE2-CE2 4.1Å; F196-Y218 AromaticContact CE2-CZ 3.83Å; F196-Y218 HydrophobicContact CZ-CE1 4.3Å; F196-Y218 HydrophobicContact CZ-CE2 4.43Å; F196-Y218 AromaticContact CZ-CZ 3.84Å; F196-I224 HydrophobicContact CD1-CB 4.47Å; F196-I224 HydrophobicContact CD1-CD1 4.49Å; F196-I224 HydrophobicContact CD2-CB 3.76Å; F196-I224 HydrophobicContact CD2-CG1 4.31Å; F196-I224 HydrophobicContact CD2-CG2 3.72Å; F196-I224 HydrophobicContact CE1-CB 4.5Å; F196-I224 HydrophobicContact CE1-CD1 4.09Å; F196-I224 HydrophobicContact CE1-CG1 4.19Å; F196-I224 HydrophobicContact CE2-CB 3.79Å; F196-I224 HydrophobicContact CE2-CG1 3.87Å; F196-I224 HydrophobicContact CE2-CG2 3.69Å; F196-I224 HydrophobicContact CG-CB 4.12Å; F196-I224 HydrophobicContact CZ-CB 4.18Å; F196-I224 HydrophobicContact CZ-CD1 4.17Å; F196-I224 HydrophobicContact CZ-CG1 3.81Å; F196-I224 HydrophobicContact CZ-CG2 4.48Å
197	Y	98.6	Very high	97	Very high	79 Å²	79	57.5 Å²	57.5	31%	0.31	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-55.2	175.9	171.6	-103.4	0	0	0	111.8	N167 E193 K194 A195 H199 S200 E201	N167-Y197 PolarHBondContact OD1-OH 3.49Å; E193-Y197 PolarHBondContact O-N 3.41Å; K194-Y197 PolarHBondContact O-N 2.88Å; A195-Y197 PolarHBondContact O-N 2.78Å; Y197-H199 PolarHBondContact O-N 3.12Å; Y197-S200 WeakPolarHBondContact O-CA 3.48Å; Y197-S200 WeakPolarHBondContact O-CB 3.18Å; Y197-S200 PolarHBondContact O-N 3.03Å; Y197-E201 HydrophobicContact CD2-CG 4.37Å; Y197-E201 HydrophobicContact CE1-CG 4.13Å; Y197-E201 HydrophobicContact CE2-CG 3.83Å; Y197-E201 WeakPolarHBondContact CE2-OE1 3.29Å; Y197-E201 PolarHBondContact O-N 2.86Å
198	W	98.8	Very high	97.3	Very high	16 Å²	16	55.4 Å²	55.4	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-68	-35.6	-175.7	-75.1	115.9	0	0	0	113.7	L162 A165 Q177 L180 Y184 K194 A195 S200 A202	L162-W198 HydrophobicContact CD2-CH2 4.35Å; L162-W198 HydrophobicContact CD2-CZ2 3.49Å; L162-W198 VanDerWaalsContact CD2-CZ2 3.49Å; A165-W198 HydrophobicContact CB-CE3 4.27Å; A165-W198 HydrophobicContact CB-CH2 3.88Å; A165-W198 HydrophobicContact CB-CZ3 3.55Å; Q177-W198 HydrophobicContact CB-CE3 4.23Å; Q177-W198 HydrophobicContact CG-CE3 4.14Å; Q177-W198 HydrophobicContact CG-CZ3 4.13Å; L180-W198 HydrophobicContact CB-CB 3.96Å; L180-W198 HydrophobicContact CB-CD2 3.88Å; L180-W198 HydrophobicContact CB-CG 3.57Å; L180-W198 HydrophobicContact CD1-CD2 3.73Å; L180-W198 HydrophobicContact CD1-CE3 3.96Å; L180-W198 HydrophobicContact CD1-CG 4.33Å; L180-W198 HydrophobicContact CD1-CH2 4.01Å; L180-W198 HydrophobicContact CD1-CZ2 3.8Å; L180-W198 HydrophobicContact CD1-CZ3 4.11Å; L180-W198 HydrophobicContact CG-CD2 4.46Å; Y184-W198 AromaticContact CD2-CD1 3.56Å; Y184-W198 AromaticContact CE2-CD1 3.49Å; Y184-W198 VanDerWaalsContact CE2-CD1 3.49Å; Y184-W198 AromaticContact CE2-NE1 3.48Å; K194-W198 PolarHBondContact O-N 3.38Å; A195-W198 PolarHBondContact O-N 2.95Å; W198-S200 VanDerWaalsContact C-N 3.32Å; W198-A202 VanDerWaalsContact O-CB 3.32Å; W198-A202 WeakPolarHBondContact O-CB 3.37Å; W198-A202 PolarHBondContact O-N 3.3Å
199	H	98.6	Very high	97.4	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-36.3	170.7	-77.2	-52.7	0	0	0	111.9	G181 L182 A195 Y197 C203 S210 L214	G181-H199 PolarHBondContact O-NE2 3.26Å; L182-H199 PolarHBondContact N-NE2 2.93Å; A195-H199 WeakPolarHBondContact O-CB 3.25Å; A195-H199 PolarHBondContact O-CD2 3.11Å; A195-H199 VanDerWaalsContact O-CD2 3.28Å; A195-H199 PolarHBondContact O-N 3.28Å; Y197-H199 PolarHBondContact O-N 3.12Å; H199-C203 WeakPolarHBondContact O-CB 3.28Å; H199-C203 PolarHBondContact O-N 3.2Å; H199-S210 WeakPolarHBondContact ND1-CB 3.39Å; H199-S210 PolarHBondContact ND1-OG 3.49Å; H199-S210 WeakPolarHBondContact O-CB 3.38Å; H199-L214 HydrophobicContact CB-CD2 3.85Å; H199-L214 HydrophobicContact CB-CG 3.95Å
200	S	98.6	Very high	97.6	Very high	36 Å²	36	44.6 Å²	44.6	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-48.6	175.2	-60.8	0	0	0	0	111.8	F196 Y197 W198 C203 G204	F196-S200 VanDerWaalsContact O-CB 3.31Å; F196-S200 WeakPolarHBondContact O-CB 2.94Å; F196-S200 PolarHBondContact O-N 2.61Å; F196-S200 PolarHBondContact O-OG 3.33Å; Y197-S200 WeakPolarHBondContact O-CA 3.48Å; Y197-S200 WeakPolarHBondContact O-CB 3.18Å; Y197-S200 PolarHBondContact O-N 3.03Å; W198-S200 VanDerWaalsContact C-N 3.32Å; S200-C203 PolarHBondContact O-N 3.01Å; S200-G204 PolarHBondContact O-N 3.33Å
201	E	98.6	Very high	97.8	Very high	60 Å²	60	39.4 Å²	39.4	28%	0.28	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-49.8	176.4	-66.1	-57.1	136.2	0	0	111.5	G168 Y197 C203 G204 N205	G168-E201 WeakPolarHBondContact CA-OE2 3.37Å; Y197-E201 HydrophobicContact CD2-CG 4.37Å; Y197-E201 HydrophobicContact CE1-CG 4.13Å; Y197-E201 HydrophobicContact CE2-CG 3.83Å; Y197-E201 WeakPolarHBondContact CE2-OE1 3.29Å; Y197-E201 PolarHBondContact O-N 2.86Å; E201-C203 VanDerWaalsContact C-N 3.33Å; E201-C203 PolarHBondContact O-N 3.37Å; E201-G204 PolarHBondContact O-N 3.37Å; E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 VanDerWaalsContact O-CG 3.3Å; E201-N205 PolarHBondContact O-N 2.88Å; E201-N205 PolarHBondContact O-ND2 2.91Å
202	A	98.4	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-42.1	178.7	0	0	0	0	0	112.1	Q177 W198 N205 G206 N207 S210	Q177-A202 HydrophobicContact CB-CB 3.74Å; W198-A202 VanDerWaalsContact O-CB 3.32Å; W198-A202 WeakPolarHBondContact O-CB 3.37Å; W198-A202 PolarHBondContact O-N 3.3Å; A202-N205 CarbonylContact O-C 3.18Å; A202-N205 PolarHBondContact O-N 2.98Å; A202-G206 PolarHBondContact O-N 3.08Å; A202-N207 HydrophobicContact CB-CB 3.81Å; A202-N207 WeakPolarHBondContact O-CB 3.46Å; A202-N207 PolarHBondContact O-N 3.06Å; A202-S210 VanDerWaalsContact CB-OG 3.23Å; A202-S210 WeakPolarHBondContact CB-OG 3.23Å
203	C	98	Very high	97.8	Very high	30 Å²	30	35.7 Å²	35.7	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-45.2	177.5	-178.4	0	0	0	0	111.6	H199 S200 E201 N205 G206 L214	H199-C203 WeakPolarHBondContact O-CB 3.28Å; H199-C203 PolarHBondContact O-N 3.2Å; S200-C203 PolarHBondContact O-N 3.01Å; E201-C203 VanDerWaalsContact C-N 3.33Å; E201-C203 PolarHBondContact O-N 3.37Å; C203-N205 PolarHBondContact O-N 3Å; C203-G206 PolarHBondContact O-N 2.96Å; C203-L214 HydrophobicContact CB-CD1 3.51Å
204	G	97.9	Very high	97.8	Very high	68 Å²	68	28.7 Å²	28.7	70%	0.701	17%	0.17	S	C	*	.	H	α-helix	trans	-58.4	-30.2	174.1	0	0	0	0	0	112.6	S200 E201 G206	S200-G204 PolarHBondContact O-N 3.33Å; E201-G204 PolarHBondContact O-N 3.37Å; G204-G206 VanDerWaalsContact C-N 3.32Å
205	N	96.8	Very high	97.8	Very high	47 Å²	47	24.3 Å²	24.3	25%	0.251	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	13.4	175.2	-61.8	-29.4	0	0	0	113.9	G168 P170 V174 Q177 E201 A202 C203	G168-N205 PolarHBondContact O-ND2 3.23Å; P170-N205 VanDerWaalsContact CB-OD1 3.3Å; P170-N205 WeakPolarHBondContact CB-OD1 3.43Å; V174-N205 HydrophobicContact CG1-CB 4.07Å; V174-N205 HydrophobicContact CG2-CB 3.64Å; Q177-N205 PolarHBondContact NE2-ND2 2.85Å; Q177-N205 PolarHBondContact OE1-ND2 3.1Å; E201-N205 WeakPolarHBondContact O-CB 3.47Å; E201-N205 VanDerWaalsContact O-CG 3.3Å; E201-N205 PolarHBondContact O-N 2.88Å; E201-N205 PolarHBondContact O-ND2 2.91Å; A202-N205 CarbonylContact O-C 3.18Å; A202-N205 PolarHBondContact O-N 2.98Å; C203-N205 PolarHBondContact O-N 3Å
206	G	94.6	Very high	97.8	Very high	37 Å²	37	25.1 Å²	25.1	38%	0.381	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	2.8	169.9	0	0	0	0	0	116	A202 C203 G204 L208 R241	A202-G206 PolarHBondContact O-N 3.08Å; C203-G206 PolarHBondContact O-N 2.96Å; G204-G206 VanDerWaalsContact C-N 3.32Å; G206-L208 PolarHBondContact O-N 3.39Å; G206-R241 PolarHBondContact O-NH2 3.45Å
207	N	97	Very high	97.8	Very high	18 Å²	18	23.7 Å²	23.7	10%	0.096	15%	0.149	C	C	.	.			trans	-66.5	117.1	179.3	-171.7	-92.3	0	0	0	111.6	V174 S178 A202 E209 S210 Q211	V174-N207 HydrophobicContact CG1-CB 3.76Å; S178-N207 PolarHBondContact OG-OD1 2.94Å; S178-N207 VanDerWaalsContact OG-OD1 3.05Å; A202-N207 HydrophobicContact CB-CB 3.81Å; A202-N207 WeakPolarHBondContact O-CB 3.46Å; A202-N207 PolarHBondContact O-N 3.06Å; N207-E209 PolarHBondContact OD1-N 3.45Å; N207-S210 WeakPolarHBondContact OD1-CB 3.44Å; N207-S210 PolarHBondContact OD1-N 3.49Å; N207-S210 PolarHBondContact OD1-OG 3.44Å; N207-S210 VanDerWaalsContact OD1-OG 3.11Å; N207-Q211 PolarHBondContact O-N 3.24Å
208	L	96.3	Very high	97.8	Very high	13 Å²	13	22.6 Å²	22.6	7%	0.068	15%	0.145	C	C	.	.	H	α-helix	trans	-73	-33.3	-175.1	179.4	57.3	0	0	0	113.2	G206 Q211 G212 A238 R241 N243 T286	G206-L208 PolarHBondContact O-N 3.39Å; L208-Q211 PolarHBondContact O-N 2.91Å; L208-G212 PolarHBondContact O-N 2.93Å; L208-A238 HydrophobicContact CD1-CB 3.93Å; L208-R241 HydrophobicContact CD1-CB 3.6Å; L208-R241 HydrophobicContact CD2-CB 4.1Å; L208-R241 WeakPolarHBondContact CD2-O 3.36Å; L208-N243 HydrophobicContact CD1-CB 3.91Å; L208-N243 HydrophobicContact CD2-CB 4.19Å; L208-N243 HydrophobicContact CG-CB 3.85Å; L208-N243 PolarHBondContact O-ND2 3.47Å; L208-T286 HydrophobicContact CD2-CG2 4.26Å
209	E	95.6	Very high	97.7	Very high	24 Å²	24	22.6 Å²	22.6	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-68.4	-45.4	179.6	-171.4	161.2	-117.3	0	0	111.3	N207 Q211 G212 A213 L289 F292	N207-E209 PolarHBondContact OD1-N 3.45Å; E209-Q211 VanDerWaalsContact C-N 3.3Å; E209-Q211 PolarHBondContact O-N 3.41Å; E209-G212 PolarHBondContact O-N 3.03Å; E209-G212 VanDerWaalsContact O-N 3.12Å; E209-A213 PolarHBondContact O-N 3.27Å; E209-L289 WeakPolarHBondContact OE1-CB 3.22Å; E209-L289 WeakPolarHBondContact OE1-CG 3.47Å; E209-L289 PolarHBondContact OE1-N 2.9Å; E209-L289 WeakPolarHBondContact OE2-CD1 3.15Å; E209-L289 WeakPolarHBondContact OE2-CG 3.34Å; E209-F292 WeakPolarHBondContact OE1-CD2 3.15Å
210	S	98.2	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-35	174.7	-69.1	0	0	0	0	112.9	S178 H199 A202 N207 G212 A213 L214	S178-S210 PolarHBondContact OG-OG 3.18Å; H199-S210 WeakPolarHBondContact ND1-CB 3.39Å; H199-S210 PolarHBondContact ND1-OG 3.49Å; H199-S210 WeakPolarHBondContact O-CB 3.38Å; A202-S210 VanDerWaalsContact CB-OG 3.23Å; A202-S210 WeakPolarHBondContact CB-OG 3.23Å; N207-S210 WeakPolarHBondContact OD1-CB 3.44Å; N207-S210 PolarHBondContact OD1-N 3.49Å; N207-S210 PolarHBondContact OD1-OG 3.44Å; N207-S210 VanDerWaalsContact OD1-OG 3.11Å; S210-G212 VanDerWaalsContact C-N 3.33Å; S210-G212 PolarHBondContact O-N 2.91Å; S210-A213 PolarHBondContact O-N 3.05Å; S210-L214 WeakPolarHBondContact O-CG 3.34Å; S210-L214 PolarHBondContact O-N 2.99Å
211	Q	98.3	Very high	97.5	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-42.7	173.4	-168.8	173.8	15.1	0	0	111.7	N207 L208 E209 G215 E237 A238	N207-Q211 PolarHBondContact O-N 3.24Å; L208-Q211 PolarHBondContact O-N 2.91Å; E209-Q211 VanDerWaalsContact C-N 3.3Å; E209-Q211 PolarHBondContact O-N 3.41Å; Q211-G215 PolarHBondContact O-N 3.36Å; Q211-E237 PolarHBondContact NE2-OE2 3.4Å; Q211-A238 HydrophobicContact CB-CB 4.21Å; Q211-A238 HydrophobicContact CG-CB 4.07Å
212	G	97.8	Very high	97.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-42.1	173.2	0	0	0	0	0	112.4	L208 E209 S210 G215 L216	L208-G212 PolarHBondContact O-N 2.93Å; E209-G212 PolarHBondContact O-N 3.03Å; E209-G212 VanDerWaalsContact O-N 3.12Å; S210-G212 VanDerWaalsContact C-N 3.33Å; S210-G212 PolarHBondContact O-N 2.91Å; G212-G215 PolarHBondContact O-N 2.87Å; G212-L216 PolarHBondContact O-N 3.31Å
213	A	98.1	Very high	97.2	Very high	21 Å²	21	28.8 Å²	28.8	17%	0.174	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-47.5	177.3	0	0	0	0	0	112	E209 S210 G215 L216 M217	E209-A213 PolarHBondContact O-N 3.27Å; S210-A213 PolarHBondContact O-N 3.05Å; A213-G215 PolarHBondContact O-N 3Å; A213-L216 WeakPolarHBondContact O-CA 3.45Å; A213-L216 WeakPolarHBondContact O-CB 3.3Å; A213-L216 PolarHBondContact O-N 3.23Å; A213-M217 WeakPolarHBondContact O-CG 3.25Å; A213-M217 PolarHBondContact O-N 3.11Å
214	L	98.6	Very high	97.2	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-56.6	-39.5	175.1	-70.8	170.2	0	0	0	112	F196 H199 C203 S210 L216 M217 Y218	F196-L214 HydrophobicContact CD2-CD2 3.74Å; F196-L214 HydrophobicContact CE2-CD2 3.65Å; F196-L214 HydrophobicContact CZ-CD2 4.4Å; H199-L214 HydrophobicContact CB-CD2 3.85Å; H199-L214 HydrophobicContact CB-CG 3.95Å; C203-L214 HydrophobicContact CB-CD1 3.51Å; S210-L214 WeakPolarHBondContact O-CG 3.34Å; S210-L214 PolarHBondContact O-N 2.99Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 PolarHBondContact O-N 3.17Å; L214-M217 PolarHBondContact O-N 2.82Å; L214-M217 VanDerWaalsContact O-N 3.15Å; L214-Y218 VanDerWaalsContact O-CD2 3.24Å; L214-Y218 WeakPolarHBondContact O-CD2 3.39Å; L214-Y218 PolarHBondContact O-N 3.19Å
215	G	98.3	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.7	-42.9	173.1	0	0	0	0	0	113	Q211 G212 A213 L219 A231	Q211-G215 PolarHBondContact O-N 3.36Å; G212-G215 PolarHBondContact O-N 2.87Å; A213-G215 PolarHBondContact O-N 3Å; G215-L219 VanDerWaalsContact O-CB 3.28Å; G215-L219 WeakPolarHBondContact O-CB 3.34Å; G215-L219 PolarHBondContact O-N 3.16Å; G215-A231 VanDerWaalsContact O-CB 3.24Å; G215-A231 WeakPolarHBondContact O-CB 3.43Å
216	L	98	Very high	97.3	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.089	21%	0.207	C	C	.	.	H	α-helix	trans	-73.7	-38.4	176.1	-55.2	-177.3	0	0	0	112.6	G212 A213 L214 Y218 L219 Y220 L235 Y245 N249	G212-L216 PolarHBondContact O-N 3.31Å; A213-L216 WeakPolarHBondContact O-CA 3.45Å; A213-L216 WeakPolarHBondContact O-CB 3.3Å; A213-L216 PolarHBondContact O-N 3.23Å; L214-L216 VanDerWaalsContact C-N 3.26Å; L214-L216 PolarHBondContact O-N 3.17Å; L216-Y218 VanDerWaalsContact C-N 3.34Å; L216-Y218 PolarHBondContact O-N 3.21Å; L216-L219 PolarHBondContact O-N 3.24Å; L216-Y220 HydrophobicContact CB-CD2 4.37Å; L216-Y220 HydrophobicContact CD2-CE2 4.35Å; L216-Y220 WeakPolarHBondContact O-CD2 3.44Å; L216-Y220 PolarHBondContact O-N 3.09Å; L216-L235 HydrophobicContact CD2-CD1 4.49Å; L216-L235 HydrophobicContact CD2-CD2 4.05Å; L216-Y245 HydrophobicContact CD1-CD1 4.33Å; L216-Y245 HydrophobicContact CD1-CE1 3.42Å; L216-Y245 VanDerWaalsContact CD1-CE1 3.42Å; L216-N249 HydrophobicContact CD2-CB 3.73Å; L216-N249 WeakPolarHBondContact CD2-OD1 3.31Å
217	M	98.4	Very high	97.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-43.8	178.8	-65.1	-176.2	81.6	0	0	111.3	L192 A195 F196 A213 L214 G221 Q222 I224	L192-M217 WeakPolarHBondContact O-CE 3.15Å; A195-M217 HydrophobicContact CB-CE 4.02Å; F196-M217 VanDerWaalsContact CA-CE 3.48Å; F196-M217 HydrophobicContact CB-CE 3.55Å; F196-M217 HydrophobicContact CB-SD 4.32Å; F196-M217 HydrophobicContact CD2-CB 4.36Å; F196-M217 HydrophobicContact CD2-CE 4.21Å; F196-M217 HydrophobicContact CD2-SD 4.28Å; F196-M217 HydrophobicContact CG-CE 4.39Å; A213-M217 WeakPolarHBondContact O-CG 3.25Å; A213-M217 PolarHBondContact O-N 3.11Å; L214-M217 PolarHBondContact O-N 2.82Å; L214-M217 VanDerWaalsContact O-N 3.15Å; M217-G221 CarbonylContact O-C 3.09Å; M217-G221 VanDerWaalsContact O-CA 3.27Å; M217-G221 WeakPolarHBondContact O-CA 3.44Å; M217-G221 PolarHBondContact O-N 3.3Å; M217-Q222 HydrophobicContact CB-CB 4.43Å; M217-Q222 WeakPolarHBondContact CB-O 3.42Å; M217-Q222 WeakPolarHBondContact CE-O 3.3Å; M217-Q222 HydrophobicContact CG-CB 4.36Å; M217-Q222 PolarHBondContact O-N 2.75Å; M217-I224 HydrophobicContact CB-CG2 4.41Å
218	Y	98.6	Very high	97.5	Very high	57 Å²	57	44.2 Å²	44.2	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-40	171.2	-78	-59.5	0	0	0	112.7	F196 L214 L216 Y220 I224 Q226 D227 A230	F196-Y218 HydrophobicContact CE2-CE1 4.18Å; F196-Y218 HydrophobicContact CE2-CE2 4.1Å; F196-Y218 AromaticContact CE2-CZ 3.83Å; F196-Y218 HydrophobicContact CZ-CE1 4.3Å; F196-Y218 HydrophobicContact CZ-CE2 4.43Å; F196-Y218 AromaticContact CZ-CZ 3.84Å; L214-Y218 VanDerWaalsContact O-CD2 3.24Å; L214-Y218 WeakPolarHBondContact O-CD2 3.39Å; L214-Y218 PolarHBondContact O-N 3.19Å; L216-Y218 VanDerWaalsContact C-N 3.34Å; L216-Y218 PolarHBondContact O-N 3.21Å; Y218-Y220 VanDerWaalsContact C-N 3.31Å; Y218-Y220 PolarHBondContact O-N 2.88Å; Y218-I224 HydrophobicContact CD1-CG1 4.41Å; Y218-I224 HydrophobicContact CD1-CG2 3.92Å; Y218-I224 HydrophobicContact CE1-CG1 3.93Å; Y218-I224 HydrophobicContact CE1-CG2 4.18Å; Y218-Q226 CarbonylContact O-C 3.56Å; Y218-Q226 VanDerWaalsContact O-CA 3.27Å; Y218-Q226 WeakPolarHBondContact O-CA 3.29Å; Y218-Q226 WeakPolarHBondContact O-CG 3.21Å; Y218-D227 WeakPolarHBondContact CB-O 3.44Å; Y218-D227 HydrophobicContact CD1-CB 3.91Å; Y218-D227 PolarHBondContact O-N 3.01Å; Y218-A230 HydrophobicContact CD1-CB 4.12Å; Y218-A230 HydrophobicContact CD2-CB 4.01Å; Y218-A230 HydrophobicContact CE1-CB 4.3Å; Y218-A230 HydrophobicContact CE2-CB 4.2Å; Y218-A230 HydrophobicContact CG-CB 3.97Å
219	L	97.6	Very high	97.6	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-38.3	-177	-172.9	60	0	0	0	112.3	G215 L216 Q226 T228 A231 Y253	G215-L219 VanDerWaalsContact O-CB 3.28Å; G215-L219 WeakPolarHBondContact O-CB 3.34Å; G215-L219 PolarHBondContact O-N 3.16Å; L216-L219 PolarHBondContact O-N 3.24Å; L219-Q226 WeakPolarHBondContact O-CG 3.34Å; L219-Q226 PolarHBondContact O-NE2 3.4Å; L219-T228 HydrophobicContact CD1-CG2 4.47Å; L219-A231 HydrophobicContact CB-CB 3.78Å; L219-A231 HydrophobicContact CD1-CB 4.2Å; L219-Y253 HydrophobicContact CD1-CD2 4.22Å; L219-Y253 HydrophobicContact CD1-CE2 4.34Å
220	Y	96.1	Very high	97.7	Very high	101 Å²	101	51.5 Å²	51.5	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-108	0.2	-174.3	-62.4	-60.9	0	0	0	114.1	L216 Y218	L216-Y220 HydrophobicContact CB-CD2 4.37Å; L216-Y220 HydrophobicContact CD2-CE2 4.35Å; L216-Y220 WeakPolarHBondContact O-CD2 3.44Å; L216-Y220 PolarHBondContact O-N 3.09Å; Y218-Y220 VanDerWaalsContact C-N 3.31Å; Y218-Y220 PolarHBondContact O-N 2.88Å
221	G	96.8	Very high	97.7	Very high	30 Å²	30	51.5 Å²	51.5	31%	0.309	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	38.9	-177.6	0	0	0	0	0	113.5	M217 I224	M217-G221 CarbonylContact O-C 3.09Å; M217-G221 VanDerWaalsContact O-CA 3.27Å; M217-G221 WeakPolarHBondContact O-CA 3.44Å; M217-G221 PolarHBondContact O-N 3.3Å; G221-I224 CarbonylContact C-O 3.56Å; G221-I224 WeakPolarHBondContact CA-O 3.49Å
222	Q	95.9	Very high	97.7	Very high	80 Å²	80	51.9 Å²	51.9	37%	0.374	26%	0.258	S	S	.	.	S	Bend	trans	-88.8	110.7	-179.5	-65.6	175.3	-13.3	0	0	109.7	L192 M217 I224	L192-Q222 HydrophobicContact CD1-CB 4.07Å; L192-Q222 HydrophobicContact CD1-CG 4.49Å; M217-Q222 HydrophobicContact CB-CB 4.43Å; M217-Q222 WeakPolarHBondContact CB-O 3.42Å; M217-Q222 WeakPolarHBondContact CE-O 3.3Å; M217-Q222 HydrophobicContact CG-CB 4.36Å; M217-Q222 PolarHBondContact O-N 2.75Å; Q222-I224 PolarHBondContact O-N 3.05Å; Q222-I224 VanDerWaalsContact O-N 3.12Å
223	G	94.8	Very high	97.7	Very high	21 Å²	21	57 Å²	57	22%	0.216	28%	0.282	C	S	.	.	S	Bend	trans	70.9	1.7	179.1	0	0	0	0	0	115	L192	L192-G223 VanDerWaalsContact CB-CA 3.5Å
224	I	97.9	Very high	97.7	Very high	62 Å²	62	56.8 Å²	56.8	32%	0.318	28%	0.279	S	S	.	.	S	Bend	trans	-153.1	163	177.3	-167.2	56.9	0	0	0	108.6	F196 M217 Y218 G221 Q222	F196-I224 HydrophobicContact CD1-CB 4.47Å; F196-I224 HydrophobicContact CD1-CD1 4.49Å; F196-I224 HydrophobicContact CD2-CB 3.76Å; F196-I224 HydrophobicContact CD2-CG1 4.31Å; F196-I224 HydrophobicContact CD2-CG2 3.72Å; F196-I224 HydrophobicContact CE1-CB 4.5Å; F196-I224 HydrophobicContact CE1-CD1 4.09Å; F196-I224 HydrophobicContact CE1-CG1 4.19Å; F196-I224 HydrophobicContact CE2-CB 3.79Å; F196-I224 HydrophobicContact CE2-CG1 3.87Å; F196-I224 HydrophobicContact CE2-CG2 3.69Å; F196-I224 HydrophobicContact CG-CB 4.12Å; F196-I224 HydrophobicContact CZ-CB 4.18Å; F196-I224 HydrophobicContact CZ-CD1 4.17Å; F196-I224 HydrophobicContact CZ-CG1 3.81Å; F196-I224 HydrophobicContact CZ-CG2 4.48Å; M217-I224 HydrophobicContact CB-CG2 4.41Å; Y218-I224 HydrophobicContact CD1-CG1 4.41Å; Y218-I224 HydrophobicContact CD1-CG2 3.92Å; Y218-I224 HydrophobicContact CE1-CG1 3.93Å; Y218-I224 HydrophobicContact CE1-CG2 4.18Å; G221-I224 CarbonylContact C-O 3.56Å; G221-I224 WeakPolarHBondContact CA-O 3.49Å; Q222-I224 PolarHBondContact O-N 3.05Å; Q222-I224 VanDerWaalsContact O-N 3.12Å
225	R	98	Very high	97.7	Very high	219 Å²	219	56.4 Å²	56.4	83%	0.826	28%	0.277	S	S	*	.			trans	-62.7	139.3	172.3	-177.2	177.6	175.6	171.1	-0.4	110.3	D227	R225-D227 PolarHBondContact O-N 2.97Å
226	Q	98.1	Very high	97.7	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	30%	0.296	S	S	*	.			trans	-59.3	130.8	174.3	-170	-177.3	5.8	0	0	111.3	Y218 L219	Y218-Q226 CarbonylContact O-C 3.56Å; Y218-Q226 VanDerWaalsContact O-CA 3.27Å; Y218-Q226 WeakPolarHBondContact O-CA 3.29Å; Y218-Q226 WeakPolarHBondContact O-CG 3.21Å; L219-Q226 WeakPolarHBondContact O-CG 3.34Å; L219-Q226 PolarHBondContact O-NE2 3.4Å
227	D	98.4	Very high	97.7	Very high	71 Å²	71	64.3 Å²	64.3	38%	0.38	31%	0.309	S	S	.	.			trans	-145.8	104.8	177.2	-172.5	-30.1	0	0	0	109.3	Y218 R225 E229 A230 A231	Y218-D227 WeakPolarHBondContact CB-O 3.44Å; Y218-D227 HydrophobicContact CD1-CB 3.91Å; Y218-D227 PolarHBondContact O-N 3.01Å; R225-D227 PolarHBondContact O-N 2.97Å; D227-E229 VanDerWaalsContact C-N 3.34Å; D227-E229 PolarHBondContact OD1-N 2.9Å; D227-A230 HydrophobicContact CB-CB 3.95Å; D227-A230 PolarHBondContact OD1-N 2.98Å; D227-A231 WeakPolarHBondContact O-CB 3.37Å; D227-A231 PolarHBondContact O-N 3.27Å
228	T	97.6	Very high	97.6	Very high	55 Å²	55	64.1 Å²	64.1	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-72.4	-29	-176.7	-57.7	0	0	0	0	112.3	L219 L232 Y253	L219-T228 HydrophobicContact CD1-CG2 4.47Å; T228-L232 HydrophobicContact CG2-CD1 4.1Å; T228-L232 HydrophobicContact CG2-CG 4.34Å; T228-L232 WeakPolarHBondContact O-CB 3.46Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.43Å; T228-L232 PolarHBondContact O-N 3.41Å; T228-Y253 HydrophobicContact CG2-CE2 4.16Å
229	E	98.1	Very high	97.5	Very high	164 Å²	164	61.7 Å²	61.7	77%	0.766	30%	0.3	S	S	*	.	H	α-helix	trans	-71.7	-50.2	179.9	-175	173.5	-179.6	0	0	110.1	D227 A231 L232 H233	D227-E229 VanDerWaalsContact C-N 3.34Å; D227-E229 PolarHBondContact OD1-N 2.9Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 2.89Å; E229-L232 PolarHBondContact O-N 3.24Å; E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-N 3.05Å
230	A	97.9	Very high	97.4	Very high	25 Å²	25	68.6 Å²	68.6	21%	0.207	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-42.1	174.1	0	0	0	0	0	111.5	Y218 D227 L232 H233 C234	Y218-A230 HydrophobicContact CD1-CB 4.12Å; Y218-A230 HydrophobicContact CD2-CB 4.01Å; Y218-A230 HydrophobicContact CE1-CB 4.3Å; Y218-A230 HydrophobicContact CE2-CB 4.2Å; Y218-A230 HydrophobicContact CG-CB 3.97Å; D227-A230 HydrophobicContact CB-CB 3.95Å; D227-A230 PolarHBondContact OD1-N 2.98Å; A230-L232 PolarHBondContact O-N 2.94Å; A230-H233 WeakPolarHBondContact O-CB 3.41Å; A230-H233 PolarHBondContact O-N 3.21Å; A230-C234 PolarHBondContact O-N 3.33Å; A230-C234 PolarHBondContact O-SG 3.37Å; A230-C234 VanDerWaalsContact O-SG 3.38Å
231	A	98.3	Very high	97.4	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.5	-51.6	175.7	0	0	0	0	0	112.6	G215 L219 D227 E229 H233 C234 L235	G215-A231 VanDerWaalsContact O-CB 3.24Å; G215-A231 WeakPolarHBondContact O-CB 3.43Å; L219-A231 HydrophobicContact CB-CB 3.78Å; L219-A231 HydrophobicContact CD1-CB 4.2Å; D227-A231 WeakPolarHBondContact O-CB 3.37Å; D227-A231 PolarHBondContact O-N 3.27Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 2.89Å; A231-H233 VanDerWaalsContact C-N 3.31Å; A231-H233 PolarHBondContact O-N 3.37Å; A231-C234 PolarHBondContact O-N 3.24Å; A231-L235 WeakPolarHBondContact O-CB 3.34Å; A231-L235 VanDerWaalsContact O-CG 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.49Å; A231-L235 PolarHBondContact O-N 2.83Å
232	L	98.1	Very high	97.2	Very high	19 Å²	19	69.4 Å²	69.4	10%	0.099	33%	0.332	C	S	.	.	H	α-helix	trans	-67.6	-33.2	-178.8	-71.2	176.3	0	0	0	112.2	T228 E229 A230 R236 L250 Y253	T228-L232 HydrophobicContact CG2-CD1 4.1Å; T228-L232 HydrophobicContact CG2-CG 4.34Å; T228-L232 WeakPolarHBondContact O-CB 3.46Å; T228-L232 VanDerWaalsContact O-CG 3.25Å; T228-L232 WeakPolarHBondContact O-CG 3.43Å; T228-L232 PolarHBondContact O-N 3.41Å; E229-L232 PolarHBondContact O-N 3.24Å; A230-L232 PolarHBondContact O-N 2.94Å; L232-R236 VanDerWaalsContact O-CB 3.28Å; L232-R236 WeakPolarHBondContact O-CB 3.2Å; L232-R236 WeakPolarHBondContact O-CD 3.45Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 3.44Å; L232-L250 HydrophobicContact CD2-CD2 3.96Å; L232-Y253 HydrophobicContact CD1-CE1 3.96Å; L232-Y253 HydrophobicContact CD2-CD1 3.76Å; L232-Y253 HydrophobicContact CD2-CD2 4.24Å; L232-Y253 HydrophobicContact CD2-CE1 3.74Å; L232-Y253 HydrophobicContact CD2-CE2 4.22Å; L232-Y253 HydrophobicContact CD2-CG 4.03Å; L232-Y253 HydrophobicContact CG-CE1 4.45Å
233	H	98.1	Very high	97.3	Very high	107 Å²	107	65.8 Å²	65.8	50%	0.495	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-57.1	172.6	-175.7	-80.9	0	0	0	110.8	E229 A230 A231 L235 R236 E237	E229-H233 WeakPolarHBondContact O-CB 3.33Å; E229-H233 PolarHBondContact O-N 3.05Å; A230-H233 WeakPolarHBondContact O-CB 3.41Å; A230-H233 PolarHBondContact O-N 3.21Å; A231-H233 VanDerWaalsContact C-N 3.31Å; A231-H233 PolarHBondContact O-N 3.37Å; H233-L235 PolarHBondContact O-N 3.5Å; H233-R236 PolarHBondContact O-N 2.86Å; H233-E237 IonicContact CE1-OE1 3.66Å; H233-E237 PolarHBondContact CE1-OE1 2.96Å; H233-E237 VanDerWaalsContact CE1-OE1 3.24Å; H233-E237 IonicContact CE1-OE2 3.6Å; H233-E237 PolarHBondContact CE1-OE2 3.44Å; H233-E237 VanDerWaalsContact CE1-OE2 3.26Å; H233-E237 IonicContact ND1-OE2 3.24Å; H233-E237 IonicContact NE2-OE1 2.63Å; H233-E237 PolarHBondContact O-N 3.03Å
234	C	98.3	Very high	97.4	Very high	18 Å²	18	64.9 Å²	64.9	12%	0.122	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-46.1	179.3	-68.2	0	0	0	0	112.5	A230 A231 R236 A238	A230-C234 PolarHBondContact O-N 3.33Å; A230-C234 PolarHBondContact O-SG 3.37Å; A230-C234 VanDerWaalsContact O-SG 3.38Å; A231-C234 PolarHBondContact O-N 3.24Å; C234-R236 PolarHBondContact O-N 3.22Å; C234-A238 VanDerWaalsContact O-CB 3.29Å; C234-A238 WeakPolarHBondContact O-CB 3.34Å; C234-A238 PolarHBondContact O-N 3.47Å
235	L	98.3	Very high	97.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-39.8	-179.4	-71.7	174.7	0	0	0	112.4	L216 A231 H233 A239 A246 N249 L250	L216-L235 HydrophobicContact CD2-CD1 4.49Å; L216-L235 HydrophobicContact CD2-CD2 4.05Å; A231-L235 WeakPolarHBondContact O-CB 3.34Å; A231-L235 VanDerWaalsContact O-CG 3.28Å; A231-L235 WeakPolarHBondContact O-CG 3.49Å; A231-L235 PolarHBondContact O-N 2.83Å; H233-L235 PolarHBondContact O-N 3.5Å; L235-A239 WeakPolarHBondContact O-CB 3.28Å; L235-A239 PolarHBondContact O-N 3.4Å; L235-A246 HydrophobicContact CD2-CB 3.92Å; L235-N249 HydrophobicContact CD1-CB 4.48Å; L235-N249 HydrophobicContact CD2-CB 4.3Å; L235-L250 HydrophobicContact CB-CD1 4.31Å; L235-L250 HydrophobicContact CB-CD2 3.78Å; L235-L250 HydrophobicContact CB-CG 3.91Å; L235-L250 HydrophobicContact CD1-CD2 4.27Å
236	R	97.8	Very high	97.3	Very high	104 Å²	104	53 Å²	53	39%	0.392	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-47.6	179.3	-74.8	173.6	-168.9	171.7	8.4	111.8	L232 H233 C234 A238 A239 E240 L250	L232-R236 VanDerWaalsContact O-CB 3.28Å; L232-R236 WeakPolarHBondContact O-CB 3.2Å; L232-R236 WeakPolarHBondContact O-CD 3.45Å; L232-R236 WeakPolarHBondContact O-CG 3.39Å; L232-R236 PolarHBondContact O-N 3.44Å; H233-R236 PolarHBondContact O-N 2.86Å; C234-R236 PolarHBondContact O-N 3.22Å; R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 2.85Å; R236-A239 WeakPolarHBondContact O-CB 3.35Å; R236-A239 PolarHBondContact O-N 3.48Å; R236-E240 WeakPolarHBondContact O-CB 3.21Å; R236-E240 WeakPolarHBondContact O-CG 3.31Å; R236-E240 PolarHBondContact O-N 3.11Å; R236-L250 HydrophobicContact CG-CD1 4.05Å; R236-L250 HydrophobicContact CG-CD2 4.22Å
237	E	97.6	Very high	97.3	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-42.5	178	-72.4	-168.1	145.9	0	0	111.9	Q211 H233 A239 E240 R241	Q211-E237 PolarHBondContact NE2-OE2 3.4Å; H233-E237 IonicContact CE1-OE1 3.66Å; H233-E237 PolarHBondContact CE1-OE1 2.96Å; H233-E237 VanDerWaalsContact CE1-OE1 3.24Å; H233-E237 IonicContact CE1-OE2 3.6Å; H233-E237 PolarHBondContact CE1-OE2 3.44Å; H233-E237 VanDerWaalsContact CE1-OE2 3.26Å; H233-E237 IonicContact ND1-OE2 3.24Å; H233-E237 IonicContact NE2-OE1 2.63Å; H233-E237 PolarHBondContact O-N 3.03Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.32Å; E237-E240 PolarHBondContact O-N 2.86Å; E237-R241 WeakPolarHBondContact O-CG 3.2Å; E237-R241 PolarHBondContact O-N 3.39Å; E237-R241 VanDerWaalsContact O-N 3.11Å
238	A	97.4	Very high	97.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-43.8	174.8	0	0	0	0	0	111.1	L208 Q211 C234 R236 E240 R241 G242 N243 A246	L208-A238 HydrophobicContact CD1-CB 3.93Å; Q211-A238 HydrophobicContact CB-CB 4.21Å; Q211-A238 HydrophobicContact CG-CB 4.07Å; C234-A238 VanDerWaalsContact O-CB 3.29Å; C234-A238 WeakPolarHBondContact O-CB 3.34Å; C234-A238 PolarHBondContact O-N 3.47Å; R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 2.85Å; A238-E240 PolarHBondContact O-N 3.31Å; A238-R241 CarbonylContact O-C 3.56Å; A238-R241 PolarHBondContact O-N 2.97Å; A238-G242 PolarHBondContact O-N 2.98Å; A238-N243 HydrophobicContact CB-CB 3.87Å; A238-N243 WeakPolarHBondContact O-CB 3.48Å; A238-N243 PolarHBondContact O-N 2.85Å; A238-A246 HydrophobicContact CB-CB 3.77Å
239	A	96.8	Very high	97.3	Very high	6 Å²	6	42.6 Å²	42.6	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-40.1	178.2	0	0	0	0	0	113.1	L235 R236 E237 R241 G242 A246 Q247 L250 F266	L235-A239 WeakPolarHBondContact O-CB 3.28Å; L235-A239 PolarHBondContact O-N 3.4Å; R236-A239 WeakPolarHBondContact O-CB 3.35Å; R236-A239 PolarHBondContact O-N 3.48Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.32Å; A239-R241 VanDerWaalsContact C-N 3.3Å; A239-R241 PolarHBondContact O-N 2.8Å; A239-G242 PolarHBondContact O-N 2.89Å; A239-G242 VanDerWaalsContact O-N 3.12Å; A239-A246 HydrophobicContact CB-CB 4.49Å; A239-Q247 HydrophobicContact CB-CB 4.38Å; A239-Q247 HydrophobicContact CB-CG 3.46Å; A239-Q247 VanDerWaalsContact CB-CG 3.46Å; A239-Q247 PolarHBondContact O-NE2 3.36Å; A239-L250 HydrophobicContact CB-CD1 3.73Å; A239-F266 HydrophobicContact CB-CZ 4.28Å
240	E	95.6	Very high	97.3	Very high	162 Å²	162	34.9 Å²	34.9	76%	0.757	17%	0.166	S	C	*	.	H	α-helix	trans	-65.3	-33.8	176.4	-75.3	171.4	-174.6	0	0	112.2	R236 E237 A238 G242	R236-E240 WeakPolarHBondContact O-CB 3.21Å; R236-E240 WeakPolarHBondContact O-CG 3.31Å; R236-E240 PolarHBondContact O-N 3.11Å; E237-E240 PolarHBondContact O-N 2.86Å; A238-E240 PolarHBondContact O-N 3.31Å; E240-G242 PolarHBondContact O-N 2.98Å
241	R	94.9	Very high	97.3	Very high	126 Å²	126	33.7 Å²	33.7	48%	0.475	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.5	173.9	-66.9	171.8	65.2	-165.4	1.3	113.8	G206 L208 E237 A238 A239	G206-R241 PolarHBondContact O-NH2 3.45Å; L208-R241 HydrophobicContact CD1-CB 3.6Å; L208-R241 HydrophobicContact CD2-CB 4.1Å; L208-R241 WeakPolarHBondContact CD2-O 3.36Å; E237-R241 WeakPolarHBondContact O-CG 3.2Å; E237-R241 PolarHBondContact O-N 3.39Å; E237-R241 VanDerWaalsContact O-N 3.11Å; A238-R241 CarbonylContact O-C 3.56Å; A238-R241 PolarHBondContact O-N 2.97Å; A239-R241 VanDerWaalsContact C-N 3.3Å; A239-R241 PolarHBondContact O-N 2.8Å
242	G	94.1	Very high	97.2	Very high	22 Å²	22	34.5 Å²	34.5	23%	0.227	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	9.8	174.4	0	0	0	0	0	115.8	A238 A239 E240 V244	A238-G242 PolarHBondContact O-N 2.98Å; A239-G242 PolarHBondContact O-N 2.89Å; A239-G242 VanDerWaalsContact O-N 3.12Å; E240-G242 PolarHBondContact O-N 2.98Å; G242-V244 PolarHBondContact O-N 3.47Å
243	N	97	Very high	97.1	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	16%	0.162	C	C	.	.			trans	-70	101.6	175	-171	-45	0	0	0	110.6	L208 A238 Y245 A246 Q247	L208-N243 HydrophobicContact CD1-CB 3.91Å; L208-N243 HydrophobicContact CD2-CB 4.19Å; L208-N243 HydrophobicContact CG-CB 3.85Å; L208-N243 PolarHBondContact O-ND2 3.47Å; A238-N243 HydrophobicContact CB-CB 3.87Å; A238-N243 WeakPolarHBondContact O-CB 3.48Å; A238-N243 PolarHBondContact O-N 2.85Å; N243-Y245 VanDerWaalsContact C-N 3.29Å; N243-Y245 PolarHBondContact O-N 3.46Å; N243-Y245 WeakPolarHBondContact OD1-CA 3.32Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.21Å; N243-Y245 PolarHBondContact OD1-N 3.08Å; N243-A246 HydrophobicContact CB-CB 3.95Å; N243-A246 PolarHBondContact O-N 2.92Å; N243-A246 PolarHBondContact OD1-N 3.32Å; N243-Q247 VanDerWaalsContact O-CG 3.31Å; N243-Q247 WeakPolarHBondContact O-CG 3.39Å; N243-Q247 PolarHBondContact O-N 3.01Å
244	V	97.1	Very high	97.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-67.1	-29.7	-177.3	179.9	0	0	0	0	112.6	G242 Q247 G248 I270 Y273 I282 I293 G296 M297	G242-V244 PolarHBondContact O-N 3.47Å; V244-Q247 WeakPolarHBondContact O-CB 3.42Å; V244-Q247 PolarHBondContact O-N 3.48Å; V244-G248 PolarHBondContact O-N 3.49Å; V244-I270 HydrophobicContact CG1-CG2 3.81Å; V244-Y273 HydrophobicContact CG2-CE2 4.12Å; V244-I282 HydrophobicContact CG2-CD1 4.14Å; V244-I282 HydrophobicContact CG2-CG2 3.9Å; V244-I293 HydrophobicContact CB-CG2 4.16Å; V244-I293 HydrophobicContact CG1-CG2 4.3Å; V244-I293 HydrophobicContact CG2-CG2 4.23Å; V244-G296 WeakPolarHBondContact O-CA 3.45Å; V244-M297 HydrophobicContact CG1-CG 3.73Å
245	Y	96.9	Very high	97	Very high	32 Å²	32	30.5 Å²	30.5	13%	0.125	14%	0.137	C	C	.	.	H	α-helix	trans	-68.9	-43.9	176.3	-171.6	-127.3	0	0	0	111.7	L216 N243 Q247 G248 N249 F292 R295 M299	L216-Y245 HydrophobicContact CD1-CD1 4.33Å; L216-Y245 HydrophobicContact CD1-CE1 3.42Å; L216-Y245 VanDerWaalsContact CD1-CE1 3.42Å; N243-Y245 VanDerWaalsContact C-N 3.29Å; N243-Y245 PolarHBondContact O-N 3.46Å; N243-Y245 WeakPolarHBondContact OD1-CA 3.32Å; N243-Y245 WeakPolarHBondContact OD1-CB 3.21Å; N243-Y245 PolarHBondContact OD1-N 3.08Å; Y245-Q247 VanDerWaalsContact C-N 3.29Å; Y245-Q247 PolarHBondContact O-N 3.48Å; Y245-G248 PolarHBondContact O-N 2.83Å; Y245-N249 WeakPolarHBondContact CE2-ND2 3.41Å; Y245-N249 PolarHBondContact O-N 3.09Å; Y245-N249 PolarHBondContact O-ND2 2.67Å; Y245-F292 WeakPolarHBondContact CB-O 3.42Å; Y245-F292 HydrophobicContact CD1-CB 4.41Å; Y245-F292 AromaticContact CD1-CD1 3.83Å; Y245-F292 HydrophobicContact CD1-CD1 3.83Å; Y245-F292 HydrophobicContact CD1-CG 4.38Å; Y245-F292 HydrophobicContact CD2-CD1 4.22Å; Y245-F292 AromaticContact CE1-CD1 3.79Å; Y245-F292 HydrophobicContact CE1-CD1 3.79Å; Y245-F292 HydrophobicContact CE1-CE1 4.13Å; Y245-F292 HydrophobicContact CE2-CD1 4.24Å; Y245-F292 HydrophobicContact CG-CB 4.07Å; Y245-F292 HydrophobicContact CG-CD1 4.04Å; Y245-F292 HydrophobicContact CG-CG 4.46Å; Y245-R295 HydrophobicContact CD2-CB 4.07Å; Y245-R295 HydrophobicContact CD2-CG 4.17Å; Y245-R295 HydrophobicContact CE2-CB 4.1Å; Y245-R295 VanDerWaalsContact CE2-CD 3.46Å; Y245-R295 HydrophobicContact CE2-CG 3.72Å; Y245-M299 HydrophobicContact CD2-SD 4.46Å; Y245-M299 HydrophobicContact CE2-SD 4.09Å
246	A	97.8	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-40.3	172.3	0	0	0	0	0	111.2	L235 A238 A239 N243 N249 L250	L235-A246 HydrophobicContact CD2-CB 3.92Å; A238-A246 HydrophobicContact CB-CB 3.77Å; A239-A246 HydrophobicContact CB-CB 4.49Å; N243-A246 HydrophobicContact CB-CB 3.95Å; N243-A246 PolarHBondContact O-N 2.92Å; N243-A246 PolarHBondContact OD1-N 3.32Å; A246-N249 PolarHBondContact O-N 3.39Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 2.86Å
247	Q	97.5	Very high	96.8	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.084	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-47.6	174.4	-70.6	170.9	0.5	0	0	112	A239 N243 V244 Y245 N249 L250 V251 F266 I270	A239-Q247 HydrophobicContact CB-CB 4.38Å; A239-Q247 HydrophobicContact CB-CG 3.46Å; A239-Q247 VanDerWaalsContact CB-CG 3.46Å; A239-Q247 PolarHBondContact O-NE2 3.36Å; N243-Q247 VanDerWaalsContact O-CG 3.31Å; N243-Q247 WeakPolarHBondContact O-CG 3.39Å; N243-Q247 PolarHBondContact O-N 3.01Å; V244-Q247 WeakPolarHBondContact O-CB 3.42Å; V244-Q247 PolarHBondContact O-N 3.48Å; Y245-Q247 VanDerWaalsContact C-N 3.29Å; Y245-Q247 PolarHBondContact O-N 3.48Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.18Å; Q247-L250 WeakPolarHBondContact O-CB 3.3Å; Q247-L250 PolarHBondContact O-N 3.45Å; Q247-V251 WeakPolarHBondContact O-CG2 3.33Å; Q247-V251 PolarHBondContact O-N 2.85Å; Q247-F266 HydrophobicContact CB-CE1 3.84Å; Q247-F266 HydrophobicContact CB-CZ 4.28Å; Q247-F266 HydrophobicContact CG-CE1 4.08Å; Q247-F266 HydrophobicContact CG-CZ 3.99Å; Q247-F266 WeakPolarHBondContact O-CE1 3.41Å; Q247-I270 HydrophobicContact CB-CD1 3.59Å; Q247-I270 HydrophobicContact CB-CG1 4.25Å; Q247-I270 HydrophobicContact CG-CD1 4.49Å
248	G	97.2	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.8	-39.8	176.7	0	0	0	0	0	113.1	V244 Y245 V251 E252	V244-G248 PolarHBondContact O-N 3.49Å; Y245-G248 PolarHBondContact O-N 2.83Å; G248-V251 WeakPolarHBondContact O-CB 3.26Å; G248-V251 PolarHBondContact O-N 2.85Å; G248-E252 PolarHBondContact O-N 3.39Å; G248-E252 VanDerWaalsContact O-N 3.08Å
249	N	97.8	Very high	96.8	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-33.8	175.7	-78.2	-84.8	0	0	0	112.9	L216 L235 Y245 A246 Q247 E252 Y253 M299	L216-N249 HydrophobicContact CD2-CB 3.73Å; L216-N249 WeakPolarHBondContact CD2-OD1 3.31Å; L235-N249 HydrophobicContact CD1-CB 4.48Å; L235-N249 HydrophobicContact CD2-CB 4.3Å; Y245-N249 WeakPolarHBondContact CE2-ND2 3.41Å; Y245-N249 PolarHBondContact O-N 3.09Å; Y245-N249 PolarHBondContact O-ND2 2.67Å; A246-N249 PolarHBondContact O-N 3.39Å; Q247-N249 VanDerWaalsContact C-N 3.33Å; Q247-N249 PolarHBondContact O-N 3.18Å; N249-E252 PolarHBondContact O-N 3.01Å; N249-Y253 WeakPolarHBondContact O-CB 3.24Å; N249-Y253 PolarHBondContact O-N 3.41Å; N249-M299 HydrophobicContact CB-CE 4.4Å
250	L	97.9	Very high	96.8	Very high	2 Å²	2	45 Å²	45	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-37.8	170.7	-73.2	172.4	0	0	0	112.1	L232 L235 R236 A239 A246 Q247 E252 Y253 Y254 F266	L232-L250 HydrophobicContact CD2-CD2 3.96Å; L235-L250 HydrophobicContact CB-CD1 4.31Å; L235-L250 HydrophobicContact CB-CD2 3.78Å; L235-L250 HydrophobicContact CB-CG 3.91Å; L235-L250 HydrophobicContact CD1-CD2 4.27Å; R236-L250 HydrophobicContact CG-CD1 4.05Å; R236-L250 HydrophobicContact CG-CD2 4.22Å; A239-L250 HydrophobicContact CB-CD1 3.73Å; A246-L250 WeakPolarHBondContact O-CG 3.26Å; A246-L250 PolarHBondContact O-N 2.86Å; Q247-L250 WeakPolarHBondContact O-CB 3.3Å; Q247-L250 PolarHBondContact O-N 3.45Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-Y253 PolarHBondContact O-N 3.42Å; L250-Y254 HydrophobicContact CB-CE2 4.11Å; L250-Y254 WeakPolarHBondContact O-CD2 3.17Å; L250-Y254 VanDerWaalsContact O-CG 3.24Å; L250-Y254 PolarHBondContact O-N 3.36Å; L250-F266 HydrophobicContact CB-CD1 4.46Å; L250-F266 HydrophobicContact CB-CE1 3.99Å; L250-F266 HydrophobicContact CD1-CE1 4.22Å; L250-F266 HydrophobicContact CD1-CZ 4.22Å
251	V	98.1	Very high	96.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-50	173.4	173.3	0	0	0	0	110.4	Q247 G248 Y253 Y254 Y255 F266 I270 A300 Y303	Q247-V251 WeakPolarHBondContact O-CG2 3.33Å; Q247-V251 PolarHBondContact O-N 2.85Å; G248-V251 WeakPolarHBondContact O-CB 3.26Å; G248-V251 PolarHBondContact O-N 2.85Å; V251-Y253 VanDerWaalsContact C-N 3.34Å; V251-Y253 PolarHBondContact O-N 3.45Å; V251-Y254 PolarHBondContact O-N 2.97Å; V251-Y255 WeakPolarHBondContact O-CB 3.33Å; V251-Y255 PolarHBondContact O-N 3.02Å; V251-F266 HydrophobicContact CG2-CD1 3.72Å; V251-I270 HydrophobicContact CG2-CD1 3.89Å; V251-A300 HydrophobicContact CG2-CB 4.31Å; V251-Y303 HydrophobicContact CG1-CD2 4.14Å; V251-Y303 HydrophobicContact CG1-CG 4.14Å
252	E	97	Very high	96.9	Very high	16 Å²	16	41 Å²	41	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-48	176.7	171.8	168.8	-167.5	0	0	111.5	G248 N249 L250 Y254 Y255 K256 M299 Y303	G248-E252 PolarHBondContact O-N 3.39Å; G248-E252 VanDerWaalsContact O-N 3.08Å; N249-E252 PolarHBondContact O-N 3.01Å; L250-E252 VanDerWaalsContact C-N 3.35Å; E252-Y254 PolarHBondContact O-N 3.3Å; E252-Y255 PolarHBondContact O-N 3.29Å; E252-K256 HydrophobicContact CG-CD 3.99Å; E252-K256 HydrophobicContact CG-CG 4.49Å; E252-K256 WeakPolarHBondContact O-CG 3.49Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact OE1-CE 3.23Å; E252-K256 WeakPolarHBondContact OE1-CE 3.47Å; E252-K256 IonicContact OE1-NZ 2.67Å; E252-K256 PolarHBondContact OE1-NZ 3.19Å; E252-M299 HydrophobicContact CB-CE 3.96Å; E252-M299 WeakPolarHBondContact OE2-CE 3.24Å; E252-Y303 HydrophobicContact CB-CD2 4.11Å; E252-Y303 HydrophobicContact CB-CE2 3.46Å; E252-Y303 VanDerWaalsContact CB-CE2 3.46Å; E252-Y303 HydrophobicContact CG-CE2 3.82Å; E252-Y303 WeakPolarHBondContact CG-OH 3.48Å; E252-Y303 PolarHBondContact OE1-OH 3.18Å
253	Y	96.7	Very high	97.1	Very high	40 Å²	40	39.9 Å²	39.9	16%	0.157	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-48.5	178.6	179.2	-90.8	0	0	0	111.5	L219 T228 L232 N249 L250 V251 Y255 K256 M257	L219-Y253 HydrophobicContact CD1-CD2 4.22Å; L219-Y253 HydrophobicContact CD1-CE2 4.34Å; T228-Y253 HydrophobicContact CG2-CE2 4.16Å; L232-Y253 HydrophobicContact CD1-CE1 3.96Å; L232-Y253 HydrophobicContact CD2-CD1 3.76Å; L232-Y253 HydrophobicContact CD2-CD2 4.24Å; L232-Y253 HydrophobicContact CD2-CE1 3.74Å; L232-Y253 HydrophobicContact CD2-CE2 4.22Å; L232-Y253 HydrophobicContact CD2-CG 4.03Å; L232-Y253 HydrophobicContact CG-CE1 4.45Å; N249-Y253 WeakPolarHBondContact O-CB 3.24Å; N249-Y253 PolarHBondContact O-N 3.41Å; L250-Y253 PolarHBondContact O-N 3.42Å; V251-Y253 VanDerWaalsContact C-N 3.34Å; V251-Y253 PolarHBondContact O-N 3.45Å; Y253-Y255 VanDerWaalsContact C-N 3.31Å; Y253-Y255 PolarHBondContact O-N 3.46Å; Y253-K256 PolarHBondContact O-N 2.92Å; Y253-M257 HydrophobicContact CD1-CG 4.18Å; Y253-M257 HydrophobicContact CD2-CG 4.47Å; Y253-M257 HydrophobicContact CE1-CG 3.72Å; Y253-M257 HydrophobicContact CE2-CG 4.06Å; Y253-M257 WeakPolarHBondContact O-CB 3.49Å; Y253-M257 VanDerWaalsContact O-CG 3.32Å; Y253-M257 WeakPolarHBondContact O-CG 3.14Å; Y253-M257 PolarHBondContact O-N 3.28Å
254	Y	97.5	Very high	97.1	Very high	9 Å²	9	40.4 Å²	40.4	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-37	178.5	-63.5	-33.4	0	0	0	112.7	L250 V251 E252 K258 F259 K262	L250-Y254 HydrophobicContact CB-CE2 4.11Å; L250-Y254 WeakPolarHBondContact O-CD2 3.17Å; L250-Y254 VanDerWaalsContact O-CG 3.24Å; L250-Y254 PolarHBondContact O-N 3.36Å; V251-Y254 PolarHBondContact O-N 2.97Å; E252-Y254 PolarHBondContact O-N 3.3Å; Y254-K258 PolarHBondContact O-N 2.92Å; Y254-F259 HydrophobicContact CD1-CD2 4.09Å; Y254-F259 PolarHBondContact O-N 3.22Å; Y254-K262 HydrophobicContact CD1-CD 3.98Å; Y254-K262 HydrophobicContact CD2-CD 4Å; Y254-K262 HydrophobicContact CD2-CG 3.89Å; Y254-K262 HydrophobicContact CE1-CD 3.79Å; Y254-K262 HydrophobicContact CE2-CD 3.82Å; Y254-K262 HydrophobicContact CE2-CG 3.98Å; Y254-K262 HydrophobicContact CG-CD 4.1Å; Y254-K262 HydrophobicContact CG-CG 4.24Å; Y254-K262 VanDerWaalsContact CZ-NZ 3.33Å; Y254-K262 WeakPolarHBondContact OH-CE 3.29Å; Y254-K262 PolarHBondContact OH-NZ 2.9Å
255	Y	97.2	Very high	97	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-50.1	174.8	-176.2	-88.3	0	0	0	111.2	V251 E252 Y253 M257 K258 F260 Y303 R306 L312 I348	V251-Y255 WeakPolarHBondContact O-CB 3.33Å; V251-Y255 PolarHBondContact O-N 3.02Å; E252-Y255 PolarHBondContact O-N 3.29Å; Y253-Y255 VanDerWaalsContact C-N 3.31Å; Y253-Y255 PolarHBondContact O-N 3.46Å; Y255-M257 VanDerWaalsContact C-N 3.3Å; Y255-M257 PolarHBondContact O-N 2.91Å; Y255-K258 WeakPolarHBondContact O-CA 3.49Å; Y255-K258 PolarHBondContact O-N 3.19Å; Y255-F260 HydrophobicContact CD2-CD1 4.25Å; Y255-F260 HydrophobicContact CD2-CE1 4.15Å; Y255-F260 HydrophobicContact CE2-CE1 4.19Å; Y255-Y303 AromaticContact CD1-CD1 3.57Å; Y255-Y303 HydrophobicContact CD1-CD1 3.57Å; Y255-Y303 AromaticContact CD1-CE1 3.54Å; Y255-Y303 HydrophobicContact CD1-CE1 3.54Å; Y255-Y303 AromaticContact CD2-CD1 3.77Å; Y255-Y303 HydrophobicContact CD2-CD1 3.77Å; Y255-Y303 HydrophobicContact CE1-CD1 4.07Å; Y255-Y303 HydrophobicContact CE1-CE1 4.03Å; Y255-Y303 HydrophobicContact CE2-CD1 4.25Å; Y255-Y303 AromaticContact CG-CD1 3.4Å; Y255-Y303 HydrophobicContact CG-CD1 3.4Å; Y255-Y303 AromaticContact CG-CE1 3.85Å; Y255-Y303 HydrophobicContact CG-CE1 3.85Å; Y255-Y303 HydrophobicContact CG-CG 4.3Å; Y255-R306 HydrophobicContact CE2-CB 3.72Å; Y255-R306 HydrophobicContact CE2-CG 4.5Å; Y255-R306 PolarHBondContact OH-NE 3.33Å; Y255-L312 HydrophobicContact CE2-CD1 4.3Å; Y255-I348 WeakPolarHBondContact CE1-OXT 3.45Å
256	K	94.9	Very high	96.8	Very high	90 Å²	90	44.3 Å²	44.3	39%	0.391	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-38	178.7	-76.5	177	167.8	171.3	0	112.7	E252 Y253 K258 I348	E252-K256 HydrophobicContact CG-CD 3.99Å; E252-K256 HydrophobicContact CG-CG 4.49Å; E252-K256 WeakPolarHBondContact O-CG 3.49Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact OE1-CE 3.23Å; E252-K256 WeakPolarHBondContact OE1-CE 3.47Å; E252-K256 IonicContact OE1-NZ 2.67Å; E252-K256 PolarHBondContact OE1-NZ 3.19Å; Y253-K256 PolarHBondContact O-N 2.92Å; K256-K258 PolarHBondContact O-N 3.23Å; K256-I348 HydrophobicContact CD-CG2 4.48Å; K256-I348 HydrophobicContact CG-CG2 4.36Å
257	M	96.1	Very high	96.8	Very high	92 Å²	92	44.3 Å²	44.3	45%	0.453	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	4.4	175.5	-63.7	-55.3	-64.7	0	0	113.8	Y253 Y255 F259	Y253-M257 HydrophobicContact CD1-CG 4.18Å; Y253-M257 HydrophobicContact CD2-CG 4.47Å; Y253-M257 HydrophobicContact CE1-CG 3.72Å; Y253-M257 HydrophobicContact CE2-CG 4.06Å; Y253-M257 WeakPolarHBondContact O-CB 3.49Å; Y253-M257 VanDerWaalsContact O-CG 3.32Å; Y253-M257 WeakPolarHBondContact O-CG 3.14Å; Y253-M257 PolarHBondContact O-N 3.28Å; Y255-M257 VanDerWaalsContact C-N 3.3Å; Y255-M257 PolarHBondContact O-N 2.91Å; M257-F259 HydrophobicContact CB-CD2 3.71Å; M257-F259 HydrophobicContact CB-CE2 3.69Å; M257-F259 HydrophobicContact CB-CG 4.24Å; M257-F259 HydrophobicContact CB-CZ 4.18Å; M257-F259 HydrophobicContact CG-CE2 4.38Å; M257-F259 PolarHBondContact O-N 3.2Å
258	K	96.6	Very high	96.6	Very high	158 Å²	158	47.2 Å²	47.2	69%	0.687	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	22.7	-179.1	-52.3	-177.6	-179	179.3	0	114.2	Y254 Y255 K256 F260	Y254-K258 PolarHBondContact O-N 2.92Å; Y255-K258 WeakPolarHBondContact O-CA 3.49Å; Y255-K258 PolarHBondContact O-N 3.19Å; K256-K258 PolarHBondContact O-N 3.23Å; K258-F260 HydrophobicContact CB-CD2 4.38Å; K258-F260 HydrophobicContact CB-CE1 4.4Å; K258-F260 HydrophobicContact CB-CE2 3.7Å; K258-F260 HydrophobicContact CB-CZ 3.72Å; K258-F260 HydrophobicContact CG-CE2 4.2Å; K258-F260 HydrophobicContact CG-CZ 3.84Å; K258-F260 WeakPolarHBondContact O-CD2 3.49Å; K258-F260 PolarHBondContact O-N 2.85Å
259	F	97.6	Very high	96.3	Very high	107 Å²	107	55.5 Å²	55.5	47%	0.469	26%	0.261	S	S	.	.			trans	-81.7	60.1	172.2	-59.1	-32.8	0	0	0	110.4	Y254 M257 T261 K262 C263	Y254-F259 HydrophobicContact CD1-CD2 4.09Å; Y254-F259 PolarHBondContact O-N 3.22Å; M257-F259 HydrophobicContact CB-CD2 3.71Å; M257-F259 HydrophobicContact CB-CE2 3.69Å; M257-F259 HydrophobicContact CB-CG 4.24Å; M257-F259 HydrophobicContact CB-CZ 4.18Å; M257-F259 HydrophobicContact CG-CE2 4.38Å; M257-F259 PolarHBondContact O-N 3.2Å; F259-T261 PolarHBondContact O-N 2.9Å; F259-K262 HydrophobicContact CB-CB 4.26Å; F259-K262 WeakPolarHBondContact O-CB 3.49Å; F259-K262 PolarHBondContact O-N 3.02Å; F259-K262 VanDerWaalsContact O-N 3.1Å; F259-C263 PolarHBondContact O-N 3.37Å
260	F	98	Very high	96	Very high	45 Å²	45	55.3 Å²	55.3	20%	0.197	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-40.4	-166.2	-59.1	-57.2	0	0	0	114.1	Y255 K258 K262 C263 V264 L312	Y255-F260 HydrophobicContact CD2-CD1 4.25Å; Y255-F260 HydrophobicContact CD2-CE1 4.15Å; Y255-F260 HydrophobicContact CE2-CE1 4.19Å; K258-F260 HydrophobicContact CB-CD2 4.38Å; K258-F260 HydrophobicContact CB-CE1 4.4Å; K258-F260 HydrophobicContact CB-CE2 3.7Å; K258-F260 HydrophobicContact CB-CZ 3.72Å; K258-F260 HydrophobicContact CG-CE2 4.2Å; K258-F260 HydrophobicContact CG-CZ 3.84Å; K258-F260 WeakPolarHBondContact O-CD2 3.49Å; K258-F260 PolarHBondContact O-N 2.85Å; F260-K262 VanDerWaalsContact C-N 3.27Å; F260-K262 PolarHBondContact O-N 3.28Å; F260-C263 WeakPolarHBondContact O-CB 3.49Å; F260-C263 PolarHBondContact O-N 3.35Å; F260-V264 WeakPolarHBondContact O-CG2 3.12Å; F260-V264 PolarHBondContact O-N 3.37Å; F260-L312 HydrophobicContact CB-CB 4.01Å; F260-L312 HydrophobicContact CD1-CB 3.85Å; F260-L312 HydrophobicContact CD1-CD1 4.1Å; F260-L312 HydrophobicContact CD1-CG 4.49Å; F260-L312 HydrophobicContact CD2-CB 4.01Å; F260-L312 HydrophobicContact CD2-CD2 4.13Å; F260-L312 HydrophobicContact CD2-CG 4.5Å; F260-L312 HydrophobicContact CE1-CB 4.3Å; F260-L312 HydrophobicContact CE1-CD1 3.73Å; F260-L312 HydrophobicContact CE1-CG 4.47Å; F260-L312 HydrophobicContact CE2-CB 4.43Å; F260-L312 HydrophobicContact CE2-CD1 4.36Å; F260-L312 HydrophobicContact CE2-CD2 3.89Å; F260-L312 HydrophobicContact CE2-CG 4.45Å; F260-L312 HydrophobicContact CG-CB 3.69Å; F260-L312 HydrophobicContact CZ-CD1 3.86Å; F260-L312 HydrophobicContact CZ-CD2 4.19Å; F260-L312 HydrophobicContact CZ-CG 4.43Å
261	T	96.9	Very high	95.6	Very high	105 Å²	105	55.2 Å²	55.2	64%	0.644	26%	0.259	S	S	*	.	H	α-helix	trans	-60.1	-39.8	175.9	-46	0	0	0	0	111.7	F259 A265	F259-T261 PolarHBondContact O-N 2.9Å; T261-A265 WeakPolarHBondContact O-CB 3.48Å; T261-A265 PolarHBondContact O-N 3.4Å; T261-A265 VanDerWaalsContact O-N 3.08Å
262	K	95.8	Very high	95.1	Very high	99 Å²	99	59.3 Å²	59.3	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-70.8	-42.2	176.7	-166.1	177.2	-171.4	-176	0	111.4	Y254 F259 F260 A265 F266	Y254-K262 HydrophobicContact CD1-CD 3.98Å; Y254-K262 HydrophobicContact CD2-CD 4Å; Y254-K262 HydrophobicContact CD2-CG 3.89Å; Y254-K262 HydrophobicContact CE1-CD 3.79Å; Y254-K262 HydrophobicContact CE2-CD 3.82Å; Y254-K262 HydrophobicContact CE2-CG 3.98Å; Y254-K262 HydrophobicContact CG-CD 4.1Å; Y254-K262 HydrophobicContact CG-CG 4.24Å; Y254-K262 VanDerWaalsContact CZ-NZ 3.33Å; Y254-K262 WeakPolarHBondContact OH-CE 3.29Å; Y254-K262 PolarHBondContact OH-NZ 2.9Å; F259-K262 HydrophobicContact CB-CB 4.26Å; F259-K262 WeakPolarHBondContact O-CB 3.49Å; F259-K262 PolarHBondContact O-N 3.02Å; F259-K262 VanDerWaalsContact O-N 3.1Å; F260-K262 VanDerWaalsContact C-N 3.27Å; F260-K262 PolarHBondContact O-N 3.28Å; K262-A265 PolarHBondContact O-N 3.43Å; K262-F266 VanDerWaalsContact O-CB 3.26Å; K262-F266 WeakPolarHBondContact O-CB 3.12Å; K262-F266 PolarHBondContact O-N 3.04Å
263	C	97.8	Very high	94.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.4	-49.9	174.4	-179.7	0	0	0	0	111.1	F259 F260 F266 S267	F259-C263 PolarHBondContact O-N 3.37Å; F260-C263 WeakPolarHBondContact O-CB 3.49Å; F260-C263 PolarHBondContact O-N 3.35Å; C263-F266 PolarHBondContact O-N 3.34Å; C263-S267 WeakPolarHBondContact O-CB 3.36Å; C263-S267 PolarHBondContact O-N 3.49Å; C263-S267 PolarHBondContact O-OG 2.87Å
264	V	97.6	Very high	94.2	Very high	15 Å²	15	62.9 Å²	62.9	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-60.9	-52.4	178.6	169.8	0	0	0	0	111.4	F260 F266 S267 K268 C307 I314	F260-V264 WeakPolarHBondContact O-CG2 3.12Å; F260-V264 PolarHBondContact O-N 3.37Å; V264-F266 VanDerWaalsContact C-N 3.28Å; V264-F266 PolarHBondContact O-N 2.84Å; V264-S267 WeakPolarHBondContact CA-OG 3.15Å; V264-S267 PolarHBondContact O-N 3.36Å; V264-S267 PolarHBondContact O-OG 3.22Å; V264-S267 VanDerWaalsContact O-OG 3.09Å; V264-K268 VanDerWaalsContact O-CB 3.3Å; V264-K268 WeakPolarHBondContact O-CB 3.42Å; V264-K268 PolarHBondContact O-N 3.06Å; V264-C307 HydrophobicContact CG2-CB 3.49Å; V264-C307 VanDerWaalsContact CG2-CB 3.49Å; V264-I314 HydrophobicContact CG1-CB 4.04Å; V264-I314 HydrophobicContact CG1-CD1 3.75Å; V264-I314 HydrophobicContact CG1-CG1 4.44Å; V264-I314 HydrophobicContact CG1-CG2 4.46Å; V264-I314 HydrophobicContact CG2-CB 4.05Å; V264-I314 HydrophobicContact CG2-CG2 3.86Å
265	A	94.4	Very high	93.6	Very high	62 Å²	62	64.9 Å²	64.9	51%	0.512	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-40.2	-177.3	0	0	0	0	0	112.1	T261 K262	T261-A265 WeakPolarHBondContact O-CB 3.48Å; T261-A265 PolarHBondContact O-N 3.4Å; T261-A265 VanDerWaalsContact O-N 3.08Å; K262-A265 PolarHBondContact O-N 3.43Å
266	F	93.6	Very high	92.9	Very high	53 Å²	53	69.3 Å²	69.3	23%	0.232	34%	0.337	C	S	.	.	H	α-helix	trans	-77.4	-42.8	-178.5	-156.6	-107.8	0	0	0	112.2	A239 Q247 L250 V251 K262 C263 V264 I270	A239-F266 HydrophobicContact CB-CZ 4.28Å; Q247-F266 HydrophobicContact CB-CE1 3.84Å; Q247-F266 HydrophobicContact CB-CZ 4.28Å; Q247-F266 HydrophobicContact CG-CE1 4.08Å; Q247-F266 HydrophobicContact CG-CZ 3.99Å; Q247-F266 WeakPolarHBondContact O-CE1 3.41Å; L250-F266 HydrophobicContact CB-CD1 4.46Å; L250-F266 HydrophobicContact CB-CE1 3.99Å; L250-F266 HydrophobicContact CD1-CE1 4.22Å; L250-F266 HydrophobicContact CD1-CZ 4.22Å; V251-F266 HydrophobicContact CG2-CD1 3.72Å; K262-F266 VanDerWaalsContact O-CB 3.26Å; K262-F266 WeakPolarHBondContact O-CB 3.12Å; K262-F266 PolarHBondContact O-N 3.04Å; C263-F266 PolarHBondContact O-N 3.34Å; V264-F266 VanDerWaalsContact C-N 3.28Å; V264-F266 PolarHBondContact O-N 2.84Å; F266-I270 HydrophobicContact CD1-CD1 4.07Å; F266-I270 HydrophobicContact CE1-CD1 4.18Å; F266-I270 WeakPolarHBondContact O-CD1 3.23Å
267	S	96.6	Very high	92.5	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-66.5	-38.1	179.5	58.5	0	0	0	0	113.4	C263 V264 R269 I270 A271 H304	C263-S267 WeakPolarHBondContact O-CB 3.36Å; C263-S267 PolarHBondContact O-N 3.49Å; C263-S267 PolarHBondContact O-OG 2.87Å; V264-S267 WeakPolarHBondContact CA-OG 3.15Å; V264-S267 PolarHBondContact O-N 3.36Å; V264-S267 PolarHBondContact O-OG 3.22Å; V264-S267 VanDerWaalsContact O-OG 3.09Å; S267-R269 VanDerWaalsContact C-N 3.34Å; S267-R269 PolarHBondContact O-N 2.97Å; S267-I270 PolarHBondContact O-N 3.02Å; S267-A271 VanDerWaalsContact O-CB 3.25Å; S267-A271 WeakPolarHBondContact O-CB 3.45Å; S267-A271 PolarHBondContact O-N 3.47Å; S267-H304 WeakPolarHBondContact OG-CB 3.3Å; S267-H304 PolarHBondContact OG-ND1 3.48Å
268	K	93.9	Very high	92.4	Very high	79 Å²	79	69.3 Å²	69.3	34%	0.343	34%	0.338	S	S	.	.	H	α-helix	trans	-56.5	-46.3	-179.4	-179.9	53.9	172.1	150.3	0	112.1	V264 I270 A271 D272 Y324	V264-K268 VanDerWaalsContact O-CB 3.3Å; V264-K268 WeakPolarHBondContact O-CB 3.42Å; V264-K268 PolarHBondContact O-N 3.06Å; K268-I270 VanDerWaalsContact C-N 3.27Å; K268-I270 PolarHBondContact O-N 3.42Å; K268-A271 PolarHBondContact O-N 3.01Å; K268-D272 WeakPolarHBondContact CD-OD2 3.48Å; K268-D272 WeakPolarHBondContact CE-OD2 3.49Å; K268-D272 IonicContact NZ-OD1 3.31Å; K268-D272 PolarHBondContact NZ-OD1 3.36Å; K268-D272 IonicContact NZ-OD2 2.83Å; K268-D272 PolarHBondContact NZ-OD2 3.29Å; K268-D272 WeakPolarHBondContact O-CB 3.37Å; K268-D272 PolarHBondContact O-N 3.28Å; K268-D272 VanDerWaalsContact O-N 3.08Å; K268-Y324 PolarHBondContact NZ-OH 3.49Å
269	R	89.6	Confident	92.2	Very high	175 Å²	175	62.7 Å²	62.7	66%	0.66	31%	0.31	S	S	*	.	H	α-helix	trans	-58.5	-39.2	-179.6	-68.3	178.9	63.6	-175.6	-1.8	112.8	S267	S267-R269 VanDerWaalsContact C-N 3.34Å; S267-R269 PolarHBondContact O-N 2.97Å
270	I	92.8	Very high	91.9	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	31%	0.312	C	S	.	.	H	α-helix	trans	-81.4	-40.3	-177.3	-52.3	156.1	0	0	0	110.3	V244 Q247 V251 F266 S267 K268 D272 Y273 M297 A300	V244-I270 HydrophobicContact CG1-CG2 3.81Å; Q247-I270 HydrophobicContact CB-CD1 3.59Å; Q247-I270 HydrophobicContact CB-CG1 4.25Å; Q247-I270 HydrophobicContact CG-CD1 4.49Å; V251-I270 HydrophobicContact CG2-CD1 3.89Å; F266-I270 HydrophobicContact CD1-CD1 4.07Å; F266-I270 HydrophobicContact CE1-CD1 4.18Å; F266-I270 WeakPolarHBondContact O-CD1 3.23Å; S267-I270 PolarHBondContact O-N 3.02Å; K268-I270 VanDerWaalsContact C-N 3.27Å; K268-I270 PolarHBondContact O-N 3.42Å; I270-D272 PolarHBondContact O-N 3.08Å; I270-Y273 HydrophobicContact CG2-CD2 4.18Å; I270-Y273 HydrophobicContact CG2-CE2 4.22Å; I270-Y273 WeakPolarHBondContact O-CB 3.34Å; I270-Y273 WeakPolarHBondContact O-CD2 3.36Å; I270-Y273 PolarHBondContact O-N 2.82Å; I270-M297 HydrophobicContact CG2-CG 4.15Å; I270-A300 HydrophobicContact CB-CB 3.65Å; I270-A300 HydrophobicContact CD1-CB 3.92Å; I270-A300 HydrophobicContact CG1-CB 4.43Å; I270-A300 HydrophobicContact CG2-CB 3.65Å
271	A	88.1	Confident	91.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-17.4	-180	0	0	0	0	0	112.5	S267 K268 Y324 K327	S267-A271 VanDerWaalsContact O-CB 3.25Å; S267-A271 WeakPolarHBondContact O-CB 3.45Å; S267-A271 PolarHBondContact O-N 3.47Å; K268-A271 PolarHBondContact O-N 3.01Å; A271-Y324 HydrophobicContact CB-CD1 3.9Å; A271-Y324 HydrophobicContact CB-CE1 3.57Å; A271-K327 WeakPolarHBondContact O-CE 3.49Å; A271-K327 PolarHBondContact O-NZ 3.01Å
272	D	87.9	Confident	91.5	Very high	85 Å²	85	60.8 Å²	60.8	46%	0.455	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.4	176.1	-71.8	-12.8	0	0	0	113.9	K268 I270 Y324	K268-D272 WeakPolarHBondContact CD-OD2 3.48Å; K268-D272 WeakPolarHBondContact CE-OD2 3.49Å; K268-D272 IonicContact NZ-OD1 3.31Å; K268-D272 PolarHBondContact NZ-OD1 3.36Å; K268-D272 IonicContact NZ-OD2 2.83Å; K268-D272 PolarHBondContact NZ-OD2 3.29Å; K268-D272 WeakPolarHBondContact O-CB 3.37Å; K268-D272 PolarHBondContact O-N 3.28Å; K268-D272 VanDerWaalsContact O-N 3.08Å; I270-D272 PolarHBondContact O-N 3.08Å; D272-Y324 PolarHBondContact OD1-OH 2.99Å
273	Y	89.8	Confident	91.4	Very high	64 Å²	64	56.8 Å²	56.8	25%	0.251	29%	0.29	S	S	.	.	S	Bend	trans	-60.8	138.1	173.1	-65.8	-28.9	0	0	0	111.7	V244 I270 D278 I282 M297 K327	V244-Y273 HydrophobicContact CG2-CE2 4.12Å; I270-Y273 HydrophobicContact CG2-CD2 4.18Å; I270-Y273 HydrophobicContact CG2-CE2 4.22Å; I270-Y273 WeakPolarHBondContact O-CB 3.34Å; I270-Y273 WeakPolarHBondContact O-CD2 3.36Å; I270-Y273 PolarHBondContact O-N 2.82Å; Y273-D278 WeakPolarHBondContact CA-OD2 3.29Å; Y273-D278 WeakPolarHBondContact CB-OD2 3.31Å; Y273-I282 HydrophobicContact CD2-CD1 3.9Å; Y273-I282 HydrophobicContact CE2-CD1 4.02Å; Y273-I282 HydrophobicContact CG-CD1 4.36Å; Y273-M297 HydrophobicContact CD2-CG 4.39Å; Y273-M297 HydrophobicContact CD2-SD 4.46Å; Y273-M297 WeakPolarHBondContact O-CE 3.23Å; Y273-K327 PolarHBondContact O-NZ 3.05Å
274	D	86.3	Confident	91	Very high	68 Å²	68	64.1 Å²	64.1	36%	0.364	32%	0.324	S	S	.	.			trans	-73.4	131.2	175.4	-176.9	-103.7	0	0	0	111.4	V276 H277 D278	D274-V276 VanDerWaalsContact C-N 3.27Å; D274-V276 PolarHBondContact O-N 3.23Å; D274-V276 WeakPolarHBondContact OD1-CA 3.21Å; D274-V276 WeakPolarHBondContact OD1-CB 3.13Å; D274-V276 PolarHBondContact OD1-N 2.95Å; D274-H277 IonicContact OD1-CE1 3.16Å; D274-H277 IonicContact OD1-CG 3.83Å; D274-H277 PolarHBondContact OD1-N 3.47Å; D274-H277 IonicContact OD1-ND1 3.89Å; D274-H277 PolarHBondContact OD1-ND1 3.39Å; D274-D278 PolarHBondContact N-OD2 2.87Å; D274-D278 VanDerWaalsContact O-CB 3.28Å; D274-D278 WeakPolarHBondContact O-CB 3.24Å; D274-D278 PolarHBondContact O-N 3.28Å; D274-D278 VanDerWaalsContact O-N 3.15Å
275	E	84	Confident	90.7	Very high	50 Å²	50	68.7 Å²	68.7	23%	0.234	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-26.7	-174.3	-50.6	177.3	-143.8	0	0	112	I279 K327 R330 L331	E275-I279 VanDerWaalsContact O-CD1 3.27Å; E275-I279 WeakPolarHBondContact O-CD1 3.32Å; E275-I279 WeakPolarHBondContact O-CG1 3.45Å; E275-K327 WeakPolarHBondContact OE1-CG 3.4Å; E275-R330 IonicContact OE1-CZ 3.95Å; E275-R330 IonicContact OE1-NE 3.13Å; E275-R330 PolarHBondContact OE1-NE 3.08Å; E275-R330 IonicContact OE1-NH2 3.83Å; E275-R330 PolarHBondContact OE1-NH2 2.67Å; E275-R330 IonicContact OE2-NE 3.52Å; E275-L331 HydrophobicContact CB-CD2 4.16Å; E275-L331 HydrophobicContact CG-CD2 3.82Å; E275-L331 HydrophobicContact CG-CG 4.17Å
276	V	83.1	Confident	90.7	Very high	106 Å²	106	67 Å²	67	64%	0.642	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-44.7	-172.9	178.8	0	0	0	0	111.7	D274 P280	D274-V276 VanDerWaalsContact C-N 3.27Å; D274-V276 PolarHBondContact O-N 3.23Å; D274-V276 WeakPolarHBondContact OD1-CA 3.21Å; D274-V276 WeakPolarHBondContact OD1-CB 3.13Å; D274-V276 PolarHBondContact OD1-N 2.95Å; V276-P280 VanDerWaalsContact O-CD 3.25Å; V276-P280 WeakPolarHBondContact O-CD 3.26Å; V276-P280 WeakPolarHBondContact O-CG 3.5Å
277	H	87.3	Confident	90.5	Very high	137 Å²	137	68.1 Å²	68.1	63%	0.634	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-39.2	-172.8	-56.4	87.7	0	0	0	112.4	D274 M281	D274-H277 IonicContact OD1-CE1 3.16Å; D274-H277 IonicContact OD1-CG 3.83Å; D274-H277 PolarHBondContact OD1-N 3.47Å; D274-H277 IonicContact OD1-ND1 3.89Å; D274-H277 PolarHBondContact OD1-ND1 3.39Å; H277-M281 WeakPolarHBondContact O-CB 3.45Å; H277-M281 PolarHBondContact O-N 3.12Å
278	D	92.5	Very high	90.4	Very high	45 Å²	45	68.4 Å²	68.4	24%	0.241	35%	0.345	C	S	.	.	H	α-helix	trans	-80.2	-32.7	-172.2	-63.8	-22.7	0	0	0	112.1	Y273 D274 M281 I282	Y273-D278 WeakPolarHBondContact CA-OD2 3.29Å; Y273-D278 WeakPolarHBondContact CB-OD2 3.31Å; D274-D278 PolarHBondContact N-OD2 2.87Å; D274-D278 VanDerWaalsContact O-CB 3.28Å; D274-D278 WeakPolarHBondContact O-CB 3.24Å; D274-D278 PolarHBondContact O-N 3.28Å; D274-D278 VanDerWaalsContact O-N 3.15Å; D278-M281 PolarHBondContact O-N 2.89Å; D278-I282 HydrophobicContact CB-CD1 4.02Å; D278-I282 VanDerWaalsContact O-CB 3.26Å; D278-I282 WeakPolarHBondContact O-CB 3.44Å; D278-I282 WeakPolarHBondContact O-CD1 3.48Å; D278-I282 WeakPolarHBondContact O-CG1 2.98Å; D278-I282 PolarHBondContact O-N 2.93Å
279	I	93.4	Very high	90.4	Very high	18 Å²	18	65 Å²	65	9%	0.092	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-51.3	-179.4	-60.5	-179.5	0	0	0	111.8	E275 M281 A283 P290 I293 S294 M297 L331	E275-I279 VanDerWaalsContact O-CD1 3.27Å; E275-I279 WeakPolarHBondContact O-CD1 3.32Å; E275-I279 WeakPolarHBondContact O-CG1 3.45Å; I279-M281 PolarHBondContact O-N 3.33Å; I279-A283 WeakPolarHBondContact O-CB 3.44Å; I279-A283 PolarHBondContact O-N 3.15Å; I279-P290 HydrophobicContact CG2-CB 3.95Å; I279-I293 HydrophobicContact CG1-CG2 4.24Å; I279-I293 HydrophobicContact CG2-CB 4.46Å; I279-I293 HydrophobicContact CG2-CG2 4.24Å; I279-S294 WeakPolarHBondContact CD1-OG 3.49Å; I279-M297 HydrophobicContact CD1-CE 4.43Å; I279-M297 HydrophobicContact CD1-SD 3.98Å; I279-M297 HydrophobicContact CG1-CE 4.32Å; I279-M297 HydrophobicContact CG1-SD 3.65Å; I279-L331 HydrophobicContact CD1-CD2 3.87Å
280	P	91.8	Very high	90.6	Very high	78 Å²	78	59.2 Å²	59.2	51%	0.506	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-40.2	176	-21.9	34.6	0	0	0	112.8	V276 A283 Q284	V276-P280 VanDerWaalsContact O-CD 3.25Å; V276-P280 WeakPolarHBondContact O-CD 3.26Å; V276-P280 WeakPolarHBondContact O-CG 3.5Å; P280-A283 PolarHBondContact O-N 2.64Å; P280-Q284 WeakPolarHBondContact O-CB 3.08Å; P280-Q284 PolarHBondContact O-N 2.63Å
281	M	92.8	Very high	90.7	Very high	115 Å²	115	63.7 Å²	63.7	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-47.9	179	-177.6	-173.7	177.2	0	0	111.6	H277 D278 I279 A283 Q284 V285	H277-M281 WeakPolarHBondContact O-CB 3.45Å; H277-M281 PolarHBondContact O-N 3.12Å; D278-M281 PolarHBondContact O-N 2.89Å; I279-M281 PolarHBondContact O-N 3.33Å; M281-A283 VanDerWaalsContact C-N 3.34Å; M281-A283 PolarHBondContact O-N 3.01Å; M281-Q284 PolarHBondContact O-N 3.37Å; M281-V285 WeakPolarHBondContact O-CG2 3.34Å; M281-V285 PolarHBondContact O-N 3.33Å
282	I	93.4	Very high	91	Very high	25 Å²	25	65.3 Å²	65.3	13%	0.128	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-44.2	177.8	-67.6	165	0	0	0	109.5	V244 Y273 D278 Q284 V285 T286 I293	V244-I282 HydrophobicContact CG2-CD1 4.14Å; V244-I282 HydrophobicContact CG2-CG2 3.9Å; Y273-I282 HydrophobicContact CD2-CD1 3.9Å; Y273-I282 HydrophobicContact CE2-CD1 4.02Å; Y273-I282 HydrophobicContact CG-CD1 4.36Å; D278-I282 HydrophobicContact CB-CD1 4.02Å; D278-I282 VanDerWaalsContact O-CB 3.26Å; D278-I282 WeakPolarHBondContact O-CB 3.44Å; D278-I282 WeakPolarHBondContact O-CD1 3.48Å; D278-I282 WeakPolarHBondContact O-CG1 2.98Å; D278-I282 PolarHBondContact O-N 2.93Å; I282-Q284 VanDerWaalsContact C-N 3.29Å; I282-Q284 PolarHBondContact O-N 3.44Å; I282-V285 PolarHBondContact O-N 3.28Å; I282-T286 HydrophobicContact CG2-CG2 4.11Å; I282-T286 WeakPolarHBondContact O-CB 3.34Å; I282-T286 WeakPolarHBondContact O-CG2 3.27Å; I282-T286 PolarHBondContact O-N 3.03Å; I282-T286 PolarHBondContact O-OG1 3.42Å; I282-I293 HydrophobicContact CB-CD1 4.13Å; I282-I293 HydrophobicContact CD1-CG2 4.44Å; I282-I293 HydrophobicContact CG2-CD1 3.66Å; I282-I293 HydrophobicContact CG2-CG1 4.05Å; I282-I293 HydrophobicContact CG2-CG2 4.24Å
283	A	93.2	Very high	91.4	Very high	15 Å²	15	61.3 Å²	61.3	12%	0.124	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-40.6	177	0	0	0	0	0	111.8	I279 P280 M281 D287 C288 P290 I293	I279-A283 WeakPolarHBondContact O-CB 3.44Å; I279-A283 PolarHBondContact O-N 3.15Å; P280-A283 PolarHBondContact O-N 2.64Å; M281-A283 VanDerWaalsContact C-N 3.34Å; M281-A283 PolarHBondContact O-N 3.01Å; A283-D287 WeakPolarHBondContact O-CA 3.36Å; A283-D287 PolarHBondContact O-N 3.09Å; A283-C288 WeakPolarHBondContact CB-O 3.39Å; A283-P290 HydrophobicContact CB-CG 3.92Å; A283-I293 HydrophobicContact CB-CD1 3.74Å
284	Q	89.9	Confident	91.7	Very high	153 Å²	153	59.3 Å²	59.3	72%	0.715	32%	0.318	S	S	*	.	H	α-helix	trans	-66.7	-41.4	178	-176.3	-179.6	4.8	0	0	112.8	P280 M281 I282	P280-Q284 WeakPolarHBondContact O-CB 3.08Å; P280-Q284 PolarHBondContact O-N 2.63Å; M281-Q284 PolarHBondContact O-N 3.37Å; I282-Q284 VanDerWaalsContact C-N 3.29Å; I282-Q284 PolarHBondContact O-N 3.44Å
285	V	91.3	Very high	92.2	Very high	112 Å²	112	59.9 Å²	59.9	68%	0.679	32%	0.315	S	S	*	.	H	α-helix	trans	-76.6	-38.2	-177.2	173.3	0	0	0	0	111.8	M281 I282	M281-V285 WeakPolarHBondContact O-CG2 3.34Å; M281-V285 PolarHBondContact O-N 3.33Å; I282-V285 PolarHBondContact O-N 3.28Å
286	T	92.9	Very high	92.8	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.153	30%	0.304	C	S	.	.	H	α-helix	trans	-97.6	-15	-173	63.8	0	0	0	0	113.8	L208 I282 C288	L208-T286 HydrophobicContact CD2-CG2 4.26Å; I282-T286 HydrophobicContact CG2-CG2 4.11Å; I282-T286 WeakPolarHBondContact O-CB 3.34Å; I282-T286 WeakPolarHBondContact O-CG2 3.27Å; I282-T286 PolarHBondContact O-N 3.03Å; I282-T286 PolarHBondContact O-OG1 3.42Å; T286-C288 PolarHBondContact O-N 2.93Å; T286-C288 VanDerWaalsContact O-N 3.14Å; T286-C288 WeakPolarHBondContact OG1-CB 3.29Å; T286-C288 PolarHBondContact OG1-N 3.33Å
287	D	91.1	Very high	93.5	Very high	78 Å²	78	52.4 Å²	52.4	42%	0.417	27%	0.274	S	S	.	.			trans	55.3	17	-167.9	-159.5	41.5	0	0	0	113.1	K175 A283	K175-D287 IonicContact NZ-OD1 2.73Å; K175-D287 PolarHBondContact NZ-OD1 3.42Å; K175-D287 VanDerWaalsContact NZ-OD1 3.13Å; K175-D287 IonicContact NZ-OD2 3.77Å; A283-D287 WeakPolarHBondContact O-CA 3.36Å; A283-D287 PolarHBondContact O-N 3.09Å
288	C	93.9	Very high	94	Very high	5 Å²	5	46 Å²	46	3%	0.034	24%	0.244	C	C	.	.			trans	-76.5	148.3	171.2	-65.7	0	0	0	0	110.6	A283 T286 I293	A283-C288 WeakPolarHBondContact CB-O 3.39Å; T286-C288 PolarHBondContact O-N 2.93Å; T286-C288 VanDerWaalsContact O-N 3.14Å; T286-C288 WeakPolarHBondContact OG1-CB 3.29Å; T286-C288 PolarHBondContact OG1-N 3.33Å; C288-I293 HydrophobicContact CB-CD1 4.19Å; C288-I293 HydrophobicContact CB-CG1 4.21Å
289	L	93.6	Very high	94.2	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.234	C	C	.	.			trans	-70.3	136.2	-179	-62.6	165.1	0	0	0	110.7	M1 L3 L182 E209 E291 F292 I293	M1-L289 HydrophobicContact CG-CD1 4.16Å; M1-L289 HydrophobicContact SD-CD1 3.5Å; M1-L289 WeakPolarHBondContact SD-CD1 3.47Å; L3-L289 HydrophobicContact CD2-CD1 4.48Å; L3-L289 HydrophobicContact CD2-CD2 3.98Å; L182-L289 HydrophobicContact CD2-CD1 3.97Å; E209-L289 WeakPolarHBondContact OE1-CB 3.22Å; E209-L289 WeakPolarHBondContact OE1-CG 3.47Å; E209-L289 PolarHBondContact OE1-N 2.9Å; E209-L289 WeakPolarHBondContact OE2-CD1 3.15Å; E209-L289 WeakPolarHBondContact OE2-CG 3.34Å; L289-E291 PolarHBondContact O-N 2.88Å; L289-E291 VanDerWaalsContact O-N 3.09Å; L289-F292 HydrophobicContact CB-CD2 4.02Å; L289-F292 HydrophobicContact CD1-CD2 4.01Å; L289-F292 HydrophobicContact CD1-CE2 3.96Å; L289-F292 PolarHBondContact O-N 2.74Å; L289-I293 PolarHBondContact O-N 2.81Å
290	P	94.6	Very high	94.4	Very high	53 Å²	53	43.2 Å²	43.2	34%	0.344	23%	0.229	S	C	.	.	H	α-helix	trans	-52.3	-35.5	177.9	-30	35.6	0	0	0	113.8	I279 A283 F292 I293 S294	I279-P290 HydrophobicContact CG2-CB 3.95Å; A283-P290 HydrophobicContact CB-CG 3.92Å; P290-F292 VanDerWaalsContact C-N 3.34Å; P290-F292 PolarHBondContact O-N 3.45Å; P290-I293 PolarHBondContact O-N 3.33Å; P290-S294 PolarHBondContact O-N 3.34Å; P290-S294 PolarHBondContact O-OG 3.3Å; P290-S294 VanDerWaalsContact O-OG 3.08Å
291	E	93.4	Very high	94.7	Very high	97 Å²	97	39.5 Å²	39.5	45%	0.453	21%	0.205	S	C	.	.	H	α-helix	trans	-60	-41.6	178.7	-173.8	171.8	169.2	0	0	112.5	M1 L289 R295	M1-E291 WeakPolarHBondContact CA-OE2 3.41Å; M1-E291 WeakPolarHBondContact CB-OE2 3.41Å; M1-E291 PolarHBondContact N-OE2 3.4Å; L289-E291 PolarHBondContact O-N 2.88Å; L289-E291 VanDerWaalsContact O-N 3.09Å; E291-R295 WeakPolarHBondContact O-CB 3.28Å; E291-R295 PolarHBondContact O-N 3.23Å
292	F	95.1	Very high	94.9	Very high	33 Å²	33	34.3 Å²	34.3	15%	0.145	18%	0.179	C	C	.	.	H	α-helix	trans	-77	-31.9	178	-72.7	-64.7	0	0	0	112.4	L182 E209 Y245 L289 P290 R295 G296	L182-F292 HydrophobicContact CD1-CE2 4.15Å; L182-F292 HydrophobicContact CD1-CZ 3.78Å; L182-F292 HydrophobicContact CD2-CE2 3.85Å; L182-F292 HydrophobicContact CD2-CZ 4.3Å; E209-F292 WeakPolarHBondContact OE1-CD2 3.15Å; Y245-F292 WeakPolarHBondContact CB-O 3.42Å; Y245-F292 HydrophobicContact CD1-CB 4.41Å; Y245-F292 AromaticContact CD1-CD1 3.83Å; Y245-F292 HydrophobicContact CD1-CD1 3.83Å; Y245-F292 HydrophobicContact CD1-CG 4.38Å; Y245-F292 HydrophobicContact CD2-CD1 4.22Å; Y245-F292 AromaticContact CE1-CD1 3.79Å; Y245-F292 HydrophobicContact CE1-CD1 3.79Å; Y245-F292 HydrophobicContact CE1-CE1 4.13Å; Y245-F292 HydrophobicContact CE2-CD1 4.24Å; Y245-F292 HydrophobicContact CG-CB 4.07Å; Y245-F292 HydrophobicContact CG-CD1 4.04Å; Y245-F292 HydrophobicContact CG-CG 4.46Å; L289-F292 HydrophobicContact CB-CD2 4.02Å; L289-F292 HydrophobicContact CD1-CD2 4.01Å; L289-F292 HydrophobicContact CD1-CE2 3.96Å; L289-F292 PolarHBondContact O-N 2.74Å; P290-F292 VanDerWaalsContact C-N 3.34Å; P290-F292 PolarHBondContact O-N 3.45Å; F292-R295 PolarHBondContact O-N 2.57Å; F292-G296 PolarHBondContact O-N 3.02Å
293	I	96.4	Very high	95.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-52.3	171.2	-63.6	163.5	0	0	0	109.7	V244 I279 I282 A283 C288 L289 P290 R295 G296 M297	V244-I293 HydrophobicContact CB-CG2 4.16Å; V244-I293 HydrophobicContact CG1-CG2 4.3Å; V244-I293 HydrophobicContact CG2-CG2 4.23Å; I279-I293 HydrophobicContact CG1-CG2 4.24Å; I279-I293 HydrophobicContact CG2-CB 4.46Å; I279-I293 HydrophobicContact CG2-CG2 4.24Å; I282-I293 HydrophobicContact CB-CD1 4.13Å; I282-I293 HydrophobicContact CD1-CG2 4.44Å; I282-I293 HydrophobicContact CG2-CD1 3.66Å; I282-I293 HydrophobicContact CG2-CG1 4.05Å; I282-I293 HydrophobicContact CG2-CG2 4.24Å; A283-I293 HydrophobicContact CB-CD1 3.74Å; C288-I293 HydrophobicContact CB-CD1 4.19Å; C288-I293 HydrophobicContact CB-CG1 4.21Å; L289-I293 PolarHBondContact O-N 2.81Å; P290-I293 PolarHBondContact O-N 3.33Å; I293-R295 VanDerWaalsContact C-N 3.26Å; I293-R295 PolarHBondContact O-N 3.16Å; I293-G296 PolarHBondContact O-N 3.25Å; I293-G296 VanDerWaalsContact O-N 3.14Å; I293-M297 HydrophobicContact CG2-SD 4.04Å; I293-M297 WeakPolarHBondContact O-CG 3.45Å; I293-M297 PolarHBondContact O-N 3.07Å
294	S	96	Very high	95.4	Very high	23 Å²	23	32.6 Å²	32.6	16%	0.161	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-42.1	175.6	-59.8	0	0	0	0	111.8	I279 P290 M297 A298	I279-S294 WeakPolarHBondContact CD1-OG 3.49Å; P290-S294 PolarHBondContact O-N 3.34Å; P290-S294 PolarHBondContact O-OG 3.3Å; P290-S294 VanDerWaalsContact O-OG 3.08Å; S294-M297 PolarHBondContact O-N 3.23Å; S294-A298 WeakPolarHBondContact O-CB 3.39Å; S294-A298 PolarHBondContact O-N 2.92Å
295	R	96.1	Very high	95.8	Very high	79 Å²	79	25.3 Å²	25.3	30%	0.298	13%	0.134	S	C	.	.	H	α-helix	trans	-62.5	-46.4	177.4	-165.6	173.5	179.4	165.5	5.6	111.7	Y245 E291 F292 I293 M297 A298 M299 L335 E338	Y245-R295 HydrophobicContact CD2-CB 4.07Å; Y245-R295 HydrophobicContact CD2-CG 4.17Å; Y245-R295 HydrophobicContact CE2-CB 4.1Å; Y245-R295 VanDerWaalsContact CE2-CD 3.46Å; Y245-R295 HydrophobicContact CE2-CG 3.72Å; E291-R295 WeakPolarHBondContact O-CB 3.28Å; E291-R295 PolarHBondContact O-N 3.23Å; F292-R295 PolarHBondContact O-N 2.57Å; I293-R295 VanDerWaalsContact C-N 3.26Å; I293-R295 PolarHBondContact O-N 3.16Å; R295-M297 PolarHBondContact O-N 3.35Å; R295-A298 PolarHBondContact O-N 3.15Å; R295-M299 VanDerWaalsContact O-CG 3.28Å; R295-M299 WeakPolarHBondContact O-CG 3.28Å; R295-M299 PolarHBondContact O-N 2.81Å; R295-L335 HydrophobicContact CG-CD2 3.57Å; R295-E338 IonicContact NH2-OE2 3.26Å
296	G	96.9	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-42.6	176.1	0	0	0	0	0	113.1	V244 F292 I293 M299 A300	V244-G296 WeakPolarHBondContact O-CA 3.45Å; F292-G296 PolarHBondContact O-N 3.02Å; I293-G296 PolarHBondContact O-N 3.25Å; I293-G296 VanDerWaalsContact O-N 3.14Å; G296-M299 PolarHBondContact O-N 2.83Å; G296-A300 PolarHBondContact O-N 2.76Å
297	M	97.4	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-39.6	175	-68.1	175.8	59.1	0	0	112.4	V244 I270 Y273 I279 I293 S294 R295 A300 S301 L331	V244-M297 HydrophobicContact CG1-CG 3.73Å; I270-M297 HydrophobicContact CG2-CG 4.15Å; Y273-M297 HydrophobicContact CD2-CG 4.39Å; Y273-M297 HydrophobicContact CD2-SD 4.46Å; Y273-M297 WeakPolarHBondContact O-CE 3.23Å; I279-M297 HydrophobicContact CD1-CE 4.43Å; I279-M297 HydrophobicContact CD1-SD 3.98Å; I279-M297 HydrophobicContact CG1-CE 4.32Å; I279-M297 HydrophobicContact CG1-SD 3.65Å; I293-M297 HydrophobicContact CG2-SD 4.04Å; I293-M297 WeakPolarHBondContact O-CG 3.45Å; I293-M297 PolarHBondContact O-N 3.07Å; S294-M297 PolarHBondContact O-N 3.23Å; R295-M297 PolarHBondContact O-N 3.35Å; M297-A300 PolarHBondContact O-N 2.84Å; M297-S301 WeakPolarHBondContact O-CB 3.33Å; M297-S301 PolarHBondContact O-N 3.33Å; M297-S301 PolarHBondContact O-OG 3.38Å; M297-L331 HydrophobicContact CB-CD1 3.62Å; M297-L331 HydrophobicContact CB-CD2 4.35Å; M297-L331 HydrophobicContact CE-CD1 4.31Å; M297-L331 HydrophobicContact CE-CD2 4.1Å
298	A	97.5	Very high	96.6	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-44.8	176.9	0	0	0	0	0	111.3	S294 R295 S301 F302 A328 L331 N332 L335	S294-A298 WeakPolarHBondContact O-CB 3.39Å; S294-A298 PolarHBondContact O-N 2.92Å; R295-A298 PolarHBondContact O-N 3.15Å; A298-S301 PolarHBondContact O-N 3.02Å; A298-F302 WeakPolarHBondContact O-CB 3.47Å; A298-F302 PolarHBondContact O-N 3.26Å; A298-A328 WeakPolarHBondContact O-CB 3.4Å; A298-L331 HydrophobicContact CB-CB 3.85Å; A298-N332 HydrophobicContact CB-CB 3.85Å; A298-L335 HydrophobicContact CB-CD2 3.97Å
299	M	97.4	Very high	96.8	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-50.3	174.5	-66.1	172.5	75.2	0	0	111.2	Y245 N249 E252 R295 G296 S301 F302 Y303 L335	Y245-M299 HydrophobicContact CD2-SD 4.46Å; Y245-M299 HydrophobicContact CE2-SD 4.09Å; N249-M299 HydrophobicContact CB-CE 4.4Å; E252-M299 HydrophobicContact CB-CE 3.96Å; E252-M299 WeakPolarHBondContact OE2-CE 3.24Å; R295-M299 VanDerWaalsContact O-CG 3.28Å; R295-M299 WeakPolarHBondContact O-CG 3.28Å; R295-M299 PolarHBondContact O-N 2.81Å; G296-M299 PolarHBondContact O-N 2.83Å; M299-S301 PolarHBondContact O-N 3.06Å; M299-F302 PolarHBondContact O-N 3.39Å; M299-Y303 VanDerWaalsContact O-CD2 3.23Å; M299-Y303 WeakPolarHBondContact O-CD2 3.16Å; M299-Y303 PolarHBondContact O-N 3.24Å; M299-L335 HydrophobicContact CG-CD2 3.48Å; M299-L335 VanDerWaalsContact CG-CD2 3.48Å
300	A	97.8	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-46.1	179.7	0	0	0	0	0	111.8	V251 I270 G296 M297 F302 H304	V251-A300 HydrophobicContact CG2-CB 4.31Å; I270-A300 HydrophobicContact CB-CB 3.65Å; I270-A300 HydrophobicContact CD1-CB 3.92Å; I270-A300 HydrophobicContact CG1-CB 4.43Å; I270-A300 HydrophobicContact CG2-CB 3.65Å; G296-A300 PolarHBondContact O-N 2.76Å; M297-A300 PolarHBondContact O-N 2.84Å; A300-F302 PolarHBondContact O-N 3.37Å; A300-H304 WeakPolarHBondContact O-CB 3.33Å; A300-H304 PolarHBondContact O-N 3.1Å
301	S	97.9	Very high	97.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-43.8	177.7	-58.2	0	0	0	0	111.7	M297 A298 M299 H304 A305	M297-S301 WeakPolarHBondContact O-CB 3.33Å; M297-S301 PolarHBondContact O-N 3.33Å; M297-S301 PolarHBondContact O-OG 3.38Å; A298-S301 PolarHBondContact O-N 3.02Å; M299-S301 PolarHBondContact O-N 3.06Å; S301-H304 PolarHBondContact O-N 3.27Å; S301-A305 WeakPolarHBondContact O-CB 3.45Å; S301-A305 PolarHBondContact O-N 3.21Å
302	F	97.9	Very high	97.2	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-51.2	179.8	-175.6	-87.1	0	0	0	112.3	A298 M299 A300 H304 A305 R306 Y325 A328 L339 L343	A298-F302 WeakPolarHBondContact O-CB 3.47Å; A298-F302 PolarHBondContact O-N 3.26Å; M299-F302 PolarHBondContact O-N 3.39Å; A300-F302 PolarHBondContact O-N 3.37Å; F302-H304 VanDerWaalsContact C-N 3.33Å; F302-H304 PolarHBondContact O-N 2.91Å; F302-A305 WeakPolarHBondContact O-CB 3.5Å; F302-A305 PolarHBondContact O-N 2.97Å; F302-R306 HydrophobicContact CD1-CG 4.09Å; F302-R306 HydrophobicContact CE1-CG 3.86Å; F302-R306 WeakPolarHBondContact O-CG 3.06Å; F302-R306 PolarHBondContact O-N 2.87Å; F302-Y325 AromaticContact CD2-CD1 3.88Å; F302-Y325 HydrophobicContact CD2-CD1 3.88Å; F302-Y325 AromaticContact CD2-CE1 3.95Å; F302-Y325 HydrophobicContact CD2-CE1 3.95Å; F302-Y325 HydrophobicContact CE2-CD1 4.14Å; F302-Y325 AromaticContact CE2-CE1 3.99Å; F302-Y325 HydrophobicContact CE2-CE1 3.99Å; F302-Y325 HydrophobicContact CG-CE1 4.37Å; F302-Y325 HydrophobicContact CZ-CE1 4.42Å; F302-A328 HydrophobicContact CB-CB 4.02Å; F302-L339 HydrophobicContact CB-CD1 3.99Å; F302-L339 HydrophobicContact CD1-CB 4.09Å; F302-L339 HydrophobicContact CD1-CD1 3.82Å; F302-L339 HydrophobicContact CD1-CG 4.48Å; F302-L339 HydrophobicContact CD2-CB 4.19Å; F302-L339 HydrophobicContact CD2-CD1 4.2Å; F302-L339 HydrophobicContact CE1-CB 3.71Å; F302-L339 HydrophobicContact CE1-CD1 4.31Å; F302-L339 HydrophobicContact CE2-CB 3.81Å; F302-L339 HydrophobicContact CG-CB 4.3Å; F302-L339 HydrophobicContact CG-CD1 3.75Å; F302-L339 HydrophobicContact CZ-CB 3.53Å; F302-L343 HydrophobicContact CE1-CD1 4.21Å; F302-L343 HydrophobicContact CE2-CD1 4.5Å; F302-L343 HydrophobicContact CZ-CD1 3.55Å; F302-L343 HydrophobicContact CZ-CG 4.15Å
303	Y	97.9	Very high	97.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70	-31.2	-179.4	-74.1	-66.8	0	0	0	112.4	V251 E252 Y255 M299 R306 C307 L339 I348	V251-Y303 HydrophobicContact CG1-CD2 4.14Å; V251-Y303 HydrophobicContact CG1-CG 4.14Å; E252-Y303 HydrophobicContact CB-CD2 4.11Å; E252-Y303 HydrophobicContact CB-CE2 3.46Å; E252-Y303 VanDerWaalsContact CB-CE2 3.46Å; E252-Y303 HydrophobicContact CG-CE2 3.82Å; E252-Y303 WeakPolarHBondContact CG-OH 3.48Å; E252-Y303 PolarHBondContact OE1-OH 3.18Å; Y255-Y303 AromaticContact CD1-CD1 3.57Å; Y255-Y303 HydrophobicContact CD1-CD1 3.57Å; Y255-Y303 AromaticContact CD1-CE1 3.54Å; Y255-Y303 HydrophobicContact CD1-CE1 3.54Å; Y255-Y303 AromaticContact CD2-CD1 3.77Å; Y255-Y303 HydrophobicContact CD2-CD1 3.77Å; Y255-Y303 HydrophobicContact CE1-CD1 4.07Å; Y255-Y303 HydrophobicContact CE1-CE1 4.03Å; Y255-Y303 HydrophobicContact CE2-CD1 4.25Å; Y255-Y303 AromaticContact CG-CD1 3.4Å; Y255-Y303 HydrophobicContact CG-CD1 3.4Å; Y255-Y303 AromaticContact CG-CE1 3.85Å; Y255-Y303 HydrophobicContact CG-CE1 3.85Å; Y255-Y303 HydrophobicContact CG-CG 4.3Å; M299-Y303 VanDerWaalsContact O-CD2 3.23Å; M299-Y303 WeakPolarHBondContact O-CD2 3.16Å; M299-Y303 PolarHBondContact O-N 3.24Å; Y303-R306 WeakPolarHBondContact O-CB 3.48Å; Y303-R306 PolarHBondContact O-N 2.92Å; Y303-C307 PolarHBondContact O-N 3.5Å; Y303-L339 HydrophobicContact CE2-CD2 4.37Å; Y303-I348 HydrophobicContact CE1-CD1 4.34Å
304	H	98.1	Very high	97.3	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-45.7	170.3	-165.4	71.7	0	0	0	111.5	S267 A300 S301 F302 R306 C307 L308 Y324	S267-H304 WeakPolarHBondContact OG-CB 3.3Å; S267-H304 PolarHBondContact OG-ND1 3.48Å; A300-H304 WeakPolarHBondContact O-CB 3.33Å; A300-H304 PolarHBondContact O-N 3.1Å; S301-H304 PolarHBondContact O-N 3.27Å; F302-H304 VanDerWaalsContact C-N 3.33Å; F302-H304 PolarHBondContact O-N 2.91Å; H304-R306 VanDerWaalsContact C-N 3.32Å; H304-R306 PolarHBondContact O-N 3.46Å; H304-C307 PolarHBondContact O-N 3.02Å; H304-L308 PolarHBondContact O-N 3.42Å; H304-Y324 AromaticContact CD2-CD2 3.57Å; H304-Y324 AromaticContact CD2-CE2 3.45Å; H304-Y324 VanDerWaalsContact CD2-CE2 3.45Å; H304-Y324 WeakPolarHBondContact CD2-CE2 3.31Å; H304-Y324 AromaticContact CD2-CZ 3.95Å; H304-Y324 AromaticContact NE2-CE2 3.84Å
305	A	97.6	Very high	97.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-40.6	175.3	0	0	0	0	0	112.4	S301 F302 L308 Q309 A321 Y325	S301-A305 WeakPolarHBondContact O-CB 3.45Å; S301-A305 PolarHBondContact O-N 3.21Å; F302-A305 WeakPolarHBondContact O-CB 3.5Å; F302-A305 PolarHBondContact O-N 2.97Å; A305-L308 PolarHBondContact O-N 2.98Å; A305-Q309 VanDerWaalsContact O-CB 3.3Å; A305-Q309 WeakPolarHBondContact O-CB 3.35Å; A305-Q309 PolarHBondContact O-N 3.38Å; A305-A321 WeakPolarHBondContact CB-O 3.3Å; A305-A321 WeakPolarHBondContact O-CB 3.34Å; A305-Y325 HydrophobicContact CB-CD1 3.58Å; A305-Y325 HydrophobicContact CB-CD2 3.79Å; A305-Y325 HydrophobicContact CB-CE1 3.5Å; A305-Y325 HydrophobicContact CB-CE2 3.73Å; A305-Y325 HydrophobicContact CB-CG 3.7Å
306	R	97.1	Very high	97.5	Very high	35 Å²	35	31.9 Å²	31.9	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-47.1	174.3	-71.3	-74.6	-38.8	149.9	-28.5	111.8	Y255 F302 Y303 H304 L308 Q309 L310 Y325	Y255-R306 HydrophobicContact CE2-CB 3.72Å; Y255-R306 HydrophobicContact CE2-CG 4.5Å; Y255-R306 PolarHBondContact OH-NE 3.33Å; F302-R306 HydrophobicContact CD1-CG 4.09Å; F302-R306 HydrophobicContact CE1-CG 3.86Å; F302-R306 WeakPolarHBondContact O-CG 3.06Å; F302-R306 PolarHBondContact O-N 2.87Å; Y303-R306 WeakPolarHBondContact O-CB 3.48Å; Y303-R306 PolarHBondContact O-N 2.92Å; H304-R306 VanDerWaalsContact C-N 3.32Å; H304-R306 PolarHBondContact O-N 3.46Å; R306-L308 PolarHBondContact O-N 3.46Å; R306-Q309 PolarHBondContact O-N 3.41Å; R306-L310 WeakPolarHBondContact O-CB 3.23Å; R306-L310 PolarHBondContact O-N 2.94Å; R306-Y325 VanDerWaalsContact CA-OH 3.24Å; R306-Y325 WeakPolarHBondContact CA-OH 3.31Å; R306-Y325 WeakPolarHBondContact CD-OH 3.11Å; R306-Y325 HydrophobicContact CG-CE1 4.26Å; R306-Y325 WeakPolarHBondContact CG-OH 3.15Å; R306-Y325 PolarHBondContact N-OH 3.32Å
307	C	97.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-44.5	177.9	-79.1	0	0	0	0	112	V264 Y303 H304 G311 L312 I314	V264-C307 HydrophobicContact CG2-CB 3.49Å; V264-C307 VanDerWaalsContact CG2-CB 3.49Å; Y303-C307 PolarHBondContact O-N 3.5Å; H304-C307 PolarHBondContact O-N 3.02Å; C307-G311 CarbonylContact O-C 3.51Å; C307-G311 WeakPolarHBondContact O-CA 3.33Å; C307-G311 PolarHBondContact O-N 2.93Å; C307-L312 WeakPolarHBondContact CB-O 3.4Å; C307-L312 PolarHBondContact O-N 2.94Å; C307-L312 PolarHBondContact SG-O 2.92Å; C307-I314 HydrophobicContact CB-CG2 4.11Å
308	L	98.1	Very high	97.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-41.9	175.6	-72.3	166.9	0	0	0	112.8	H304 A305 R306 L310 I314 R316 D317 T320 A321 Y324	H304-L308 PolarHBondContact O-N 3.42Å; A305-L308 PolarHBondContact O-N 2.98Å; R306-L308 PolarHBondContact O-N 3.46Å; L308-L310 VanDerWaalsContact C-N 3.32Å; L308-L310 PolarHBondContact O-N 3.47Å; L308-I314 HydrophobicContact CD2-CD1 3.75Å; L308-I314 HydrophobicContact CD2-CG1 4.15Å; L308-I314 HydrophobicContact CD2-CG2 4.03Å; L308-I314 HydrophobicContact CG-CG2 4.38Å; L308-R316 CarbonylContact O-C 3.56Å; L308-R316 VanDerWaalsContact O-CA 3.24Å; L308-R316 WeakPolarHBondContact O-CA 3.34Å; L308-D317 HydrophobicContact CD2-CB 4.16Å; L308-D317 PolarHBondContact O-N 3.23Å; L308-T320 HydrophobicContact CD1-CG2 3.65Å; L308-A321 HydrophobicContact CB-CB 3.86Å; L308-Y324 HydrophobicContact CD1-CD2 3.83Å; L308-Y324 HydrophobicContact CD1-CE2 4.13Å
309	Q	97.5	Very high	97.5	Very high	70 Å²	70	42.6 Å²	42.6	33%	0.327	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-40.4	-179.9	-178.2	-176.5	14	0	0	111.8	A305 R306 R316 A321 Y325	A305-Q309 VanDerWaalsContact O-CB 3.3Å; A305-Q309 WeakPolarHBondContact O-CB 3.35Å; A305-Q309 PolarHBondContact O-N 3.38Å; R306-Q309 PolarHBondContact O-N 3.41Å; Q309-R316 PolarHBondContact O-NE 3.32Å; Q309-A321 HydrophobicContact CB-CB 4.02Å; Q309-Y325 HydrophobicContact CB-CE2 4.5Å; Q309-Y325 PolarHBondContact OE1-OH 3.25Å
310	L	96.7	Very high	97.4	Very high	84 Å²	84	44.9 Å²	44.9	44%	0.44	25%	0.253	S	S	.	.	H	α-helix	trans	-96.9	-9.9	-174.5	-65.6	-175.6	0	0	0	113.9	R306 L308 L312	R306-L310 WeakPolarHBondContact O-CB 3.23Å; R306-L310 PolarHBondContact O-N 2.94Å; L308-L310 VanDerWaalsContact C-N 3.32Å; L308-L310 PolarHBondContact O-N 3.47Å; L310-L312 HydrophobicContact CB-CD1 3.82Å; L310-L312 HydrophobicContact CB-CG 3.67Å; L310-L312 HydrophobicContact CD1-CD1 3.63Å; L310-L312 HydrophobicContact CD1-CG 4.37Å; L310-L312 HydrophobicContact CG-CD1 4.38Å
311	G	97.5	Very high	97.4	Very high	32 Å²	32	45 Å²	45	33%	0.33	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	35.4	-173.1	0	0	0	0	0	113.3	C307 I314	C307-G311 CarbonylContact O-C 3.51Å; C307-G311 WeakPolarHBondContact O-CA 3.33Å; C307-G311 PolarHBondContact O-N 2.93Å; G311-I314 CarbonylContact C-O 3.6Å; G311-I314 WeakPolarHBondContact CA-O 3.5Å
312	L	97.2	Very high	97.4	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.225	28%	0.282	C	S	.	.	S	Bend	trans	-92.4	107.5	-177.3	-62.4	173	0	0	0	110.6	Y255 F260 C307 L310 I314	Y255-L312 HydrophobicContact CE2-CD1 4.3Å; F260-L312 HydrophobicContact CB-CB 4.01Å; F260-L312 HydrophobicContact CD1-CB 3.85Å; F260-L312 HydrophobicContact CD1-CD1 4.1Å; F260-L312 HydrophobicContact CD1-CG 4.49Å; F260-L312 HydrophobicContact CD2-CB 4.01Å; F260-L312 HydrophobicContact CD2-CD2 4.13Å; F260-L312 HydrophobicContact CD2-CG 4.5Å; F260-L312 HydrophobicContact CE1-CB 4.3Å; F260-L312 HydrophobicContact CE1-CD1 3.73Å; F260-L312 HydrophobicContact CE1-CG 4.47Å; F260-L312 HydrophobicContact CE2-CB 4.43Å; F260-L312 HydrophobicContact CE2-CD1 4.36Å; F260-L312 HydrophobicContact CE2-CD2 3.89Å; F260-L312 HydrophobicContact CE2-CG 4.45Å; F260-L312 HydrophobicContact CG-CB 3.69Å; F260-L312 HydrophobicContact CZ-CD1 3.86Å; F260-L312 HydrophobicContact CZ-CD2 4.19Å; F260-L312 HydrophobicContact CZ-CG 4.43Å; C307-L312 WeakPolarHBondContact CB-O 3.4Å; C307-L312 PolarHBondContact O-N 2.94Å; C307-L312 PolarHBondContact SG-O 2.92Å; L310-L312 HydrophobicContact CB-CD1 3.82Å; L310-L312 HydrophobicContact CB-CG 3.67Å; L310-L312 HydrophobicContact CD1-CD1 3.63Å; L310-L312 HydrophobicContact CD1-CG 4.37Å; L310-L312 HydrophobicContact CG-CD1 4.38Å; L312-I314 PolarHBondContact O-N 3.42Å
313	G	96	Very high	97.3	Very high	41 Å²	41	56.1 Å²	56.1	42%	0.423	30%	0.303	S	S	.	.	S	Bend	trans	70.2	4.1	-179.6	0	0	0	0	0	114.5
314	I	97.2	Very high	97.3	Very high	60 Å²	60	56.7 Å²	56.7	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-152.4	156.5	176.7	-171	159.6	0	0	0	108.8	V264 C307 L308 G311 L312	V264-I314 HydrophobicContact CG1-CB 4.04Å; V264-I314 HydrophobicContact CG1-CD1 3.75Å; V264-I314 HydrophobicContact CG1-CG1 4.44Å; V264-I314 HydrophobicContact CG1-CG2 4.46Å; V264-I314 HydrophobicContact CG2-CB 4.05Å; V264-I314 HydrophobicContact CG2-CG2 3.86Å; C307-I314 HydrophobicContact CB-CG2 4.11Å; L308-I314 HydrophobicContact CD2-CD1 3.75Å; L308-I314 HydrophobicContact CD2-CG1 4.15Å; L308-I314 HydrophobicContact CD2-CG2 4.03Å; L308-I314 HydrophobicContact CG-CG2 4.38Å; G311-I314 CarbonylContact C-O 3.6Å; G311-I314 WeakPolarHBondContact CA-O 3.5Å; L312-I314 PolarHBondContact O-N 3.42Å
315	T	97.6	Very high	97.3	Very high	121 Å²	121	58.7 Å²	58.7	74%	0.742	31%	0.313	S	S	*	.			trans	-60.5	140.1	173.1	-54.5	0	0	0	0	110.6	D317	T315-D317 PolarHBondContact O-N 3.3Å
316	R	97.9	Very high	97.2	Very high	159 Å²	159	61.7 Å²	61.7	60%	0.6	33%	0.334	S	S	*	.			trans	-63.8	128.4	178.7	-176.8	177.1	174.4	179.9	-0.9	110.8	L308 Q309 E318	L308-R316 CarbonylContact O-C 3.56Å; L308-R316 VanDerWaalsContact O-CA 3.24Å; L308-R316 WeakPolarHBondContact O-CA 3.34Å; Q309-R316 PolarHBondContact O-NE 3.32Å; R316-E318 IonicContact CZ-OE1 3.94Å; R316-E318 IonicContact NE-OE1 3.26Å; R316-E318 PolarHBondContact NE-OE1 2.96Å; R316-E318 IonicContact NH2-OE1 2.76Å; R316-E318 PolarHBondContact NH2-OE1 3.2Å
317	D	97.9	Very high	97.2	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	33%	0.331	S	S	.	.			trans	-146.9	100.2	176	179.3	-9.9	0	0	0	109.7	L308 T315 A319 T320 A321	L308-D317 HydrophobicContact CD2-CB 4.16Å; L308-D317 PolarHBondContact O-N 3.23Å; T315-D317 PolarHBondContact O-N 3.3Å; D317-A319 PolarHBondContact OD1-N 2.88Å; D317-A319 VanDerWaalsContact OD1-N 3.08Å; D317-T320 VanDerWaalsContact CG-OG1 3.24Å; D317-T320 PolarHBondContact OD1-N 2.91Å; D317-T320 PolarHBondContact OD1-OG1 2.97Å; D317-T320 VanDerWaalsContact OD2-CB 3.23Å; D317-T320 WeakPolarHBondContact OD2-CB 3.45Å; D317-T320 PolarHBondContact OD2-OG1 3.27Å; D317-A321 VanDerWaalsContact O-CB 3.29Å; D317-A321 WeakPolarHBondContact O-CB 3.38Å; D317-A321 PolarHBondContact O-N 3.43Å
318	E	96.7	Very high	97.1	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-73.5	-29.3	-176.7	-64.9	-168.9	172.5	0	0	113.6	R316 K322	R316-E318 IonicContact CZ-OE1 3.94Å; R316-E318 IonicContact NE-OE1 3.26Å; R316-E318 PolarHBondContact NE-OE1 2.96Å; R316-E318 IonicContact NH2-OE1 2.76Å; R316-E318 PolarHBondContact NH2-OE1 3.2Å; E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.3Å
319	A	97.1	Very high	97	Very high	75 Å²	75	63.5 Å²	63.5	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-69.5	-48.1	-178.5	0	0	0	0	0	109.7	D317 A321 K322 H323	D317-A319 PolarHBondContact OD1-N 2.88Å; D317-A319 VanDerWaalsContact OD1-N 3.08Å; A319-A321 VanDerWaalsContact C-N 3.34Å; A319-K322 PolarHBondContact O-N 3.15Å; A319-H323 PolarHBondContact O-N 2.89Å
320	T	96.9	Very high	97	Very high	51 Å²	51	66.8 Å²	66.8	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-36.5	175.9	-55.8	0	0	0	0	111.3	L308 D317 K322 H323 Y324	L308-T320 HydrophobicContact CD1-CG2 3.65Å; D317-T320 VanDerWaalsContact CG-OG1 3.24Å; D317-T320 PolarHBondContact OD1-N 2.91Å; D317-T320 PolarHBondContact OD1-OG1 2.97Å; D317-T320 VanDerWaalsContact OD2-CB 3.23Å; D317-T320 WeakPolarHBondContact OD2-CB 3.45Å; D317-T320 PolarHBondContact OD2-OG1 3.27Å; T320-K322 PolarHBondContact O-N 2.72Å; T320-H323 WeakPolarHBondContact O-CB 3.32Å; T320-H323 PolarHBondContact O-N 2.91Å; T320-Y324 HydrophobicContact CG2-CD2 3.78Å; T320-Y324 HydrophobicContact CG2-CE2 3.52Å; T320-Y324 VanDerWaalsContact O-CD2 3.31Å; T320-Y324 WeakPolarHBondContact O-CD2 3.44Å; T320-Y324 PolarHBondContact O-N 3.07Å; T320-Y324 VanDerWaalsContact O-N 3.15Å
321	A	97.5	Very high	96.9	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	34%	0.344	C	S	.	.	H	α-helix	trans	-57.7	-46.2	173.5	0	0	0	0	0	112.4	A305 L308 Q309 D317 A319 H323 Y324 Y325	A305-A321 WeakPolarHBondContact CB-O 3.3Å; A305-A321 WeakPolarHBondContact O-CB 3.34Å; L308-A321 HydrophobicContact CB-CB 3.86Å; Q309-A321 HydrophobicContact CB-CB 4.02Å; D317-A321 VanDerWaalsContact O-CB 3.29Å; D317-A321 WeakPolarHBondContact O-CB 3.38Å; D317-A321 PolarHBondContact O-N 3.43Å; A319-A321 VanDerWaalsContact C-N 3.34Å; A321-H323 VanDerWaalsContact C-N 3.32Å; A321-H323 PolarHBondContact O-N 3.35Å; A321-Y324 PolarHBondContact O-N 3.45Å; A321-Y325 HydrophobicContact CB-CE2 4.38Å; A321-Y325 WeakPolarHBondContact O-CD2 3.41Å; A321-Y325 PolarHBondContact O-N 3.34Å
322	K	97.2	Very high	96.8	Very high	137 Å²	137	63.7 Å²	63.7	60%	0.596	34%	0.336	S	S	*	.	H	α-helix	trans	-59.4	-42.6	177.1	-73.3	173.6	-171.3	176.7	0	111.9	E318 A319 T320 Y324 Y325 S326	E318-K322 WeakPolarHBondContact O-CG 3.49Å; E318-K322 PolarHBondContact O-N 3.3Å; A319-K322 PolarHBondContact O-N 3.15Å; T320-K322 PolarHBondContact O-N 2.72Å; K322-Y324 VanDerWaalsContact C-N 3.34Å; K322-Y324 PolarHBondContact O-N 3.39Å; K322-Y325 PolarHBondContact O-N 3.37Å; K322-S326 PolarHBondContact O-N 2.93Å; K322-S326 PolarHBondContact O-OG 2.63Å
323	H	96.5	Very high	96.7	Very high	103 Å²	103	65.9 Å²	65.9	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-56	-48.2	176.2	175.9	82.6	0	0	0	111.9	A319 T320 A321 S326 K327	A319-H323 PolarHBondContact O-N 2.89Å; T320-H323 WeakPolarHBondContact O-CB 3.32Å; T320-H323 PolarHBondContact O-N 2.91Å; A321-H323 VanDerWaalsContact C-N 3.32Å; A321-H323 PolarHBondContact O-N 3.35Å; H323-S326 PolarHBondContact O-N 3.26Å; H323-K327 PolarHBondContact O-N 3.12Å
324	Y	97.3	Very high	96.7	Very high	12 Å²	12	67.4 Å²	67.4	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-72.1	-31.9	-179.1	-76.6	-64.9	0	0	0	114	K268 A271 D272 H304 L308 T320 A321 K322 K327 A328	K268-Y324 PolarHBondContact NZ-OH 3.49Å; A271-Y324 HydrophobicContact CB-CD1 3.9Å; A271-Y324 HydrophobicContact CB-CE1 3.57Å; D272-Y324 PolarHBondContact OD1-OH 2.99Å; H304-Y324 AromaticContact CD2-CD2 3.57Å; H304-Y324 AromaticContact CD2-CE2 3.45Å; H304-Y324 VanDerWaalsContact CD2-CE2 3.45Å; H304-Y324 WeakPolarHBondContact CD2-CE2 3.31Å; H304-Y324 AromaticContact CD2-CZ 3.95Å; H304-Y324 AromaticContact NE2-CE2 3.84Å; L308-Y324 HydrophobicContact CD1-CD2 3.83Å; L308-Y324 HydrophobicContact CD1-CE2 4.13Å; T320-Y324 HydrophobicContact CG2-CD2 3.78Å; T320-Y324 HydrophobicContact CG2-CE2 3.52Å; T320-Y324 VanDerWaalsContact O-CD2 3.31Å; T320-Y324 WeakPolarHBondContact O-CD2 3.44Å; T320-Y324 PolarHBondContact O-N 3.07Å; T320-Y324 VanDerWaalsContact O-N 3.15Å; A321-Y324 PolarHBondContact O-N 3.45Å; K322-Y324 VanDerWaalsContact C-N 3.34Å; K322-Y324 PolarHBondContact O-N 3.39Å; Y324-K327 HydrophobicContact CD1-CD 4.46Å; Y324-K327 WeakPolarHBondContact O-CB 3.19Å; Y324-K327 PolarHBondContact O-N 3.14Å; Y324-A328 PolarHBondContact O-N 3.07Å
325	Y	97.6	Very high	96.6	Very high	48 Å²	48	64.9 Å²	64.9	19%	0.188	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-46.3	168.6	-74.2	-53.6	0	0	0	111.8	F302 A305 R306 Q309 A321 K322 K327 A328 C329	F302-Y325 AromaticContact CD2-CD1 3.88Å; F302-Y325 HydrophobicContact CD2-CD1 3.88Å; F302-Y325 AromaticContact CD2-CE1 3.95Å; F302-Y325 HydrophobicContact CD2-CE1 3.95Å; F302-Y325 HydrophobicContact CE2-CD1 4.14Å; F302-Y325 AromaticContact CE2-CE1 3.99Å; F302-Y325 HydrophobicContact CE2-CE1 3.99Å; F302-Y325 HydrophobicContact CG-CE1 4.37Å; F302-Y325 HydrophobicContact CZ-CE1 4.42Å; A305-Y325 HydrophobicContact CB-CD1 3.58Å; A305-Y325 HydrophobicContact CB-CD2 3.79Å; A305-Y325 HydrophobicContact CB-CE1 3.5Å; A305-Y325 HydrophobicContact CB-CE2 3.73Å; A305-Y325 HydrophobicContact CB-CG 3.7Å; R306-Y325 VanDerWaalsContact CA-OH 3.24Å; R306-Y325 WeakPolarHBondContact CA-OH 3.31Å; R306-Y325 WeakPolarHBondContact CD-OH 3.11Å; R306-Y325 HydrophobicContact CG-CE1 4.26Å; R306-Y325 WeakPolarHBondContact CG-OH 3.15Å; R306-Y325 PolarHBondContact N-OH 3.32Å; Q309-Y325 HydrophobicContact CB-CE2 4.5Å; Q309-Y325 PolarHBondContact OE1-OH 3.25Å; A321-Y325 HydrophobicContact CB-CE2 4.38Å; A321-Y325 WeakPolarHBondContact O-CD2 3.41Å; A321-Y325 PolarHBondContact O-N 3.34Å; K322-Y325 PolarHBondContact O-N 3.37Å; Y325-K327 PolarHBondContact O-N 3.29Å; Y325-A328 PolarHBondContact O-N 3.42Å; Y325-C329 PolarHBondContact O-N 3.03Å; Y325-C329 PolarHBondContact O-SG 3.48Å; Y325-C329 VanDerWaalsContact O-SG 3.37Å
326	S	96.6	Very high	96.4	Very high	62 Å²	62	59.5 Å²	59.5	43%	0.434	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-38.3	176	-61.6	0	0	0	0	111.7	K322 H323 C329 R330	K322-S326 PolarHBondContact O-N 2.93Å; K322-S326 PolarHBondContact O-OG 2.63Å; H323-S326 PolarHBondContact O-N 3.26Å; S326-C329 PolarHBondContact O-N 3.12Å; S326-R330 WeakPolarHBondContact O-CG 3.25Å; S326-R330 PolarHBondContact O-N 3.03Å
327	K	95.9	Very high	96.2	Very high	16 Å²	16	56.8 Å²	56.8	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-47.5	173.4	-179.9	161.5	-171.2	173	0	112.4	A271 Y273 E275 H323 Y324 Y325 C329 R330 L331	A271-K327 WeakPolarHBondContact O-CE 3.49Å; A271-K327 PolarHBondContact O-NZ 3.01Å; Y273-K327 PolarHBondContact O-NZ 3.05Å; E275-K327 WeakPolarHBondContact OE1-CG 3.4Å; H323-K327 PolarHBondContact O-N 3.12Å; Y324-K327 HydrophobicContact CD1-CD 4.46Å; Y324-K327 WeakPolarHBondContact O-CB 3.19Å; Y324-K327 PolarHBondContact O-N 3.14Å; Y325-K327 PolarHBondContact O-N 3.29Å; K327-C329 VanDerWaalsContact C-N 3.29Å; K327-C329 PolarHBondContact O-N 3Å; K327-R330 PolarHBondContact O-N 3.36Å; K327-L331 HydrophobicContact CG-CD1 3.8Å; K327-L331 HydrophobicContact CG-CG 4.45Å; K327-L331 WeakPolarHBondContact O-CB 3.34Å; K327-L331 WeakPolarHBondContact O-CG 3.49Å; K327-L331 PolarHBondContact O-N 3.19Å
328	A	97.1	Very high	96.1	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-43.3	175.7	0	0	0	0	0	111.9	A298 F302 Y324 Y325 L331 N332	A298-A328 WeakPolarHBondContact O-CB 3.4Å; F302-A328 HydrophobicContact CB-CB 4.02Å; Y324-A328 PolarHBondContact O-N 3.07Å; Y325-A328 PolarHBondContact O-N 3.42Å; A328-L331 PolarHBondContact O-N 3.39Å; A328-N332 PolarHBondContact O-N 2.96Å
329	C	96.3	Very high	95.9	Very high	64 Å²	64	54.6 Å²	54.6	43%	0.432	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-39	176.6	-64.7	0	0	0	0	113.1	Y325 S326 K327 P333 A336	Y325-C329 PolarHBondContact O-N 3.03Å; Y325-C329 PolarHBondContact O-SG 3.48Å; Y325-C329 VanDerWaalsContact O-SG 3.37Å; S326-C329 PolarHBondContact O-N 3.12Å; K327-C329 VanDerWaalsContact C-N 3.29Å; K327-C329 PolarHBondContact O-N 3Å; C329-P333 WeakPolarHBondContact O-CA 3.46Å; C329-P333 VanDerWaalsContact O-CD 3.25Å; C329-P333 WeakPolarHBondContact O-CD 3.32Å; C329-P333 WeakPolarHBondContact O-CG 3.46Å; C329-A336 HydrophobicContact CB-CB 4.45Å
330	R	95.7	Very high	95.6	Very high	138 Å²	138	55.8 Å²	55.8	52%	0.521	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-43.5	176.2	-73.6	-169.3	-53.8	-93.1	-0.5	112.1	E275 S326 K327	E275-R330 IonicContact OE1-CZ 3.95Å; E275-R330 IonicContact OE1-NE 3.13Å; E275-R330 PolarHBondContact OE1-NE 3.08Å; E275-R330 IonicContact OE1-NH2 3.83Å; E275-R330 PolarHBondContact OE1-NH2 2.67Å; E275-R330 IonicContact OE2-NE 3.52Å; S326-R330 WeakPolarHBondContact O-CG 3.25Å; S326-R330 PolarHBondContact O-N 3.03Å; K327-R330 PolarHBondContact O-N 3.36Å
331	L	95.3	Very high	95.2	Very high	20 Å²	20	55.1 Å²	55.1	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-44.1	-178.7	-78.2	166.1	0	0	0	112.8	E275 I279 M297 A298 K327 A328	E275-L331 HydrophobicContact CB-CD2 4.16Å; E275-L331 HydrophobicContact CG-CD2 3.82Å; E275-L331 HydrophobicContact CG-CG 4.17Å; I279-L331 HydrophobicContact CD1-CD2 3.87Å; M297-L331 HydrophobicContact CB-CD1 3.62Å; M297-L331 HydrophobicContact CB-CD2 4.35Å; M297-L331 HydrophobicContact CE-CD1 4.31Å; M297-L331 HydrophobicContact CE-CD2 4.1Å; A298-L331 HydrophobicContact CB-CB 3.85Å; K327-L331 HydrophobicContact CG-CD1 3.8Å; K327-L331 HydrophobicContact CG-CG 4.45Å; K327-L331 WeakPolarHBondContact O-CB 3.34Å; K327-L331 WeakPolarHBondContact O-CG 3.49Å; K327-L331 PolarHBondContact O-N 3.19Å; A328-L331 PolarHBondContact O-N 3.39Å
332	N	96	Very high	94.8	Very high	31 Å²	31	56.8 Å²	56.8	17%	0.166	30%	0.3	C	S	.	.			trans	-155	92.7	179.2	-164.2	-48.4	0	0	0	111.3	A298 A328 A334 L335 A336	A298-N332 HydrophobicContact CB-CB 3.85Å; A328-N332 PolarHBondContact O-N 2.96Å; N332-A334 PolarHBondContact O-N 3.24Å; N332-A334 PolarHBondContact OD1-N 2.85Å; N332-L335 HydrophobicContact CB-CB 4Å; N332-L335 PolarHBondContact O-N 3.3Å; N332-L335 WeakPolarHBondContact OD1-CB 3.44Å; N332-L335 PolarHBondContact OD1-N 2.96Å; N332-A336 WeakPolarHBondContact O-CB 3.17Å; N332-A336 PolarHBondContact O-N 3.02Å
333	P	95.6	Very high	94.3	Very high	89 Å²	89	51.8 Å²	51.8	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-60.3	-41.7	-177.8	-21	27.2	0	0	0	113.6	C329 A336 D337	C329-P333 WeakPolarHBondContact O-CA 3.46Å; C329-P333 VanDerWaalsContact O-CD 3.25Å; C329-P333 WeakPolarHBondContact O-CD 3.32Å; C329-P333 WeakPolarHBondContact O-CG 3.46Å; P333-A336 PolarHBondContact O-N 3.4Å; P333-D337 PolarHBondContact O-N 2.99Å
334	A	95.1	Very high	93.8	Very high	73 Å²	73	52.7 Å²	52.7	60%	0.603	29%	0.286	S	S	*	.	H	α-helix	trans	-65.8	-43.2	-177.3	0	0	0	0	0	111.8	N332 D337 E338	N332-A334 PolarHBondContact O-N 3.24Å; N332-A334 PolarHBondContact OD1-N 2.85Å; A334-D337 PolarHBondContact O-N 2.97Å; A334-E338 PolarHBondContact O-N 3.25Å
335	L	95.3	Very high	93.2	Very high	8 Å²	8	60 Å²	60	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-42.2	174.6	176.1	66.5	0	0	0	111.5	R295 A298 M299 N332 D337 E338 L339	R295-L335 HydrophobicContact CG-CD2 3.57Å; A298-L335 HydrophobicContact CB-CD2 3.97Å; M299-L335 HydrophobicContact CG-CD2 3.48Å; M299-L335 VanDerWaalsContact CG-CD2 3.48Å; N332-L335 HydrophobicContact CB-CB 4Å; N332-L335 PolarHBondContact O-N 3.3Å; N332-L335 WeakPolarHBondContact OD1-CB 3.44Å; N332-L335 PolarHBondContact OD1-N 2.96Å; L335-D337 VanDerWaalsContact C-N 3.27Å; L335-D337 PolarHBondContact O-N 3.47Å; L335-E338 WeakPolarHBondContact O-CB 3.24Å; L335-E338 PolarHBondContact O-N 3.27Å; L335-L339 HydrophobicContact CD1-CD1 4.14Å; L335-L339 HydrophobicContact CD1-CG 4.04Å; L335-L339 HydrophobicContact CD2-CD1 4.42Å; L335-L339 HydrophobicContact CG-CD1 3.94Å; L335-L339 HydrophobicContact CG-CG 4.26Å; L335-L339 WeakPolarHBondContact O-CB 3.27Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.48Å; L335-L339 PolarHBondContact O-N 3.3Å
336	A	94.2	Very high	92.3	Very high	7 Å²	7	66.3 Å²	66.3	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-40	178.8	0	0	0	0	0	111.4	C329 N332 P333 H340	C329-A336 HydrophobicContact CB-CB 4.45Å; N332-A336 WeakPolarHBondContact O-CB 3.17Å; N332-A336 PolarHBondContact O-N 3.02Å; P333-A336 PolarHBondContact O-N 3.4Å; A336-H340 VanDerWaalsContact O-CB 3.29Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.36Å
337	D	93.6	Very high	90.8	Very high	103 Å²	103	71.7 Å²	71.7	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-65.6	-42.4	173.8	-174.1	62.2	0	0	0	112.6	P333 A334 L335 H340 S341	P333-D337 PolarHBondContact O-N 2.99Å; A334-D337 PolarHBondContact O-N 2.97Å; L335-D337 VanDerWaalsContact C-N 3.27Å; L335-D337 PolarHBondContact O-N 3.47Å; D337-H340 PolarHBondContact O-N 2.95Å; D337-S341 WeakPolarHBondContact O-CB 3.37Å; D337-S341 PolarHBondContact O-N 3.17Å; D337-S341 PolarHBondContact O-OG 3.49Å
338	E	94	Very high	89.7	Confident	99 Å²	99	73 Å²	73	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-58.6	-50.4	174.1	-177.5	-176.5	-176.2	0	0	111.2	R295 A334 L335 H340 S341 L342	R295-E338 IonicContact NH2-OE2 3.26Å; A334-E338 PolarHBondContact O-N 3.25Å; L335-E338 WeakPolarHBondContact O-CB 3.24Å; L335-E338 PolarHBondContact O-N 3.27Å; E338-H340 VanDerWaalsContact C-N 3.34Å; E338-H340 PolarHBondContact O-N 3.31Å; E338-S341 WeakPolarHBondContact O-CB 3.34Å; E338-S341 PolarHBondContact O-N 2.9Å; E338-L342 WeakPolarHBondContact O-CG 3.49Å; E338-L342 PolarHBondContact O-N 2.88Å
339	L	93.4	Very high	89.3	Confident	6 Å²	6	76.5 Å²	76.5	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-39.6	179	-67.6	174.5	0	0	0	111.4	F302 Y303 L335 L342 L343 I348	F302-L339 HydrophobicContact CB-CD1 3.99Å; F302-L339 HydrophobicContact CD1-CB 4.09Å; F302-L339 HydrophobicContact CD1-CD1 3.82Å; F302-L339 HydrophobicContact CD1-CG 4.48Å; F302-L339 HydrophobicContact CD2-CB 4.19Å; F302-L339 HydrophobicContact CD2-CD1 4.2Å; F302-L339 HydrophobicContact CE1-CB 3.71Å; F302-L339 HydrophobicContact CE1-CD1 4.31Å; F302-L339 HydrophobicContact CE2-CB 3.81Å; F302-L339 HydrophobicContact CG-CB 4.3Å; F302-L339 HydrophobicContact CG-CD1 3.75Å; F302-L339 HydrophobicContact CZ-CB 3.53Å; Y303-L339 HydrophobicContact CE2-CD2 4.37Å; L335-L339 HydrophobicContact CD1-CD1 4.14Å; L335-L339 HydrophobicContact CD1-CG 4.04Å; L335-L339 HydrophobicContact CD2-CD1 4.42Å; L335-L339 HydrophobicContact CG-CD1 3.94Å; L335-L339 HydrophobicContact CG-CG 4.26Å; L335-L339 WeakPolarHBondContact O-CB 3.27Å; L335-L339 VanDerWaalsContact O-CG 3.31Å; L335-L339 WeakPolarHBondContact O-CG 3.48Å; L335-L339 PolarHBondContact O-N 3.3Å; L339-L342 HydrophobicContact CD2-CD1 4.42Å; L339-L342 PolarHBondContact O-N 2.94Å; L339-L343 PolarHBondContact O-N 3.12Å; L339-L343 VanDerWaalsContact O-N 3.12Å; L339-I348 HydrophobicContact CD2-CD1 4.05Å
340	H	89.9	Confident	89	Confident	101 Å²	101	77.2 Å²	77.2	47%	0.468	38%	0.378	S	S	.	.	H	α-helix	trans	-64	-41.9	174.7	-168.1	74.9	0	0	0	112	A336 D337 E338 L342 L343 I344	A336-H340 VanDerWaalsContact O-CB 3.29Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 3.36Å; D337-H340 PolarHBondContact O-N 2.95Å; E338-H340 VanDerWaalsContact C-N 3.34Å; E338-H340 PolarHBondContact O-N 3.31Å; H340-L342 VanDerWaalsContact C-N 3.29Å; H340-L342 PolarHBondContact O-N 3.04Å; H340-L343 WeakPolarHBondContact O-CB 3.27Å; H340-L343 PolarHBondContact O-N 2.9Å; H340-L343 VanDerWaalsContact O-N 3.14Å; H340-I344 WeakPolarHBondContact O-CG1 3.15Å; H340-I344 PolarHBondContact O-N 3.22Å
341	S	90.3	Very high	88.6	Confident	37 Å²	37	73.8 Å²	73.8	26%	0.259	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-37.2	174.8	-69.9	0	0	0	0	112.4	D337 E338 I344 R345	D337-S341 WeakPolarHBondContact O-CB 3.37Å; D337-S341 PolarHBondContact O-N 3.17Å; D337-S341 PolarHBondContact O-OG 3.49Å; E338-S341 WeakPolarHBondContact O-CB 3.34Å; E338-S341 PolarHBondContact O-N 2.9Å; S341-I344 PolarHBondContact O-N 3.39Å; S341-R345 VanDerWaalsContact O-CG 3.32Å; S341-R345 WeakPolarHBondContact O-CG 3.37Å; S341-R345 PolarHBondContact O-N 3.39Å; S341-R345 VanDerWaalsContact O-N 3.12Å
342	L	89.1	Confident	88.2	Confident	37 Å²	37	76.9 Å²	76.9	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-36.3	174.4	-69	172.7	0	0	0	112.3	E338 L339 H340 R345 Q346 R347 I348	E338-L342 WeakPolarHBondContact O-CG 3.49Å; E338-L342 PolarHBondContact O-N 2.88Å; L339-L342 HydrophobicContact CD2-CD1 4.42Å; L339-L342 PolarHBondContact O-N 2.94Å; H340-L342 VanDerWaalsContact C-N 3.29Å; H340-L342 PolarHBondContact O-N 3.04Å; L342-R345 CarbonylContact O-C 3.52Å; L342-R345 PolarHBondContact O-N 2.96Å; L342-Q346 PolarHBondContact O-N 2.9Å; L342-R347 HydrophobicContact CB-CB 4.4Å; L342-R347 HydrophobicContact CD2-CB 4.02Å; L342-R347 PolarHBondContact O-N 2.99Å; L342-I348 HydrophobicContact CB-CD1 3.66Å; L342-I348 HydrophobicContact CB-CG1 3.71Å; L342-I348 HydrophobicContact CD1-CD1 4.16Å
343	L	85.9	Confident	87.7	Confident	32 Å²	32	79.8 Å²	79.8	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-63	-47.6	173	-67.3	172.5	0	0	0	111.8	F302 L339 H340 R345 Q346 I348	F302-L343 HydrophobicContact CE1-CD1 4.21Å; F302-L343 HydrophobicContact CE2-CD1 4.5Å; F302-L343 HydrophobicContact CZ-CD1 3.55Å; F302-L343 HydrophobicContact CZ-CG 4.15Å; L339-L343 PolarHBondContact O-N 3.12Å; L339-L343 VanDerWaalsContact O-N 3.12Å; H340-L343 WeakPolarHBondContact O-CB 3.27Å; H340-L343 PolarHBondContact O-N 2.9Å; H340-L343 VanDerWaalsContact O-N 3.14Å; L343-R345 PolarHBondContact O-N 2.9Å; L343-Q346 WeakPolarHBondContact O-CA 3.48Å; L343-Q346 PolarHBondContact O-N 3.21Å; L343-I348 HydrophobicContact CD2-CD1 4.48Å; L343-I348 HydrophobicContact CD2-CG1 3.88Å; L343-I348 HydrophobicContact CG-CG1 4.22Å
344	I	85.3	Confident	87.2	Confident	121 Å²	121	79.2 Å²	79.2	62%	0.621	39%	0.387	S	S	*	.	H	α-helix	trans	-58.4	-37.9	179.4	-66.8	169.9	0	0	0	110.2	H340 S341 Q346	H340-I344 WeakPolarHBondContact O-CG1 3.15Å; H340-I344 PolarHBondContact O-N 3.22Å; S341-I344 PolarHBondContact O-N 3.39Å; I344-Q346 PolarHBondContact O-N 3.38Å
345	R	85.2	Confident	86.6	Confident	166 Å²	166	79.6 Å²	79.6	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	5.9	177.9	-65	174.9	-176	179.7	2.6	113.9	S341 L342 L343 R347	S341-R345 VanDerWaalsContact O-CG 3.32Å; S341-R345 WeakPolarHBondContact O-CG 3.37Å; S341-R345 PolarHBondContact O-N 3.39Å; S341-R345 VanDerWaalsContact O-N 3.12Å; L342-R345 CarbonylContact O-C 3.52Å; L342-R345 PolarHBondContact O-N 2.96Å; L343-R345 PolarHBondContact O-N 2.9Å; R345-R347 HydrophobicContact CB-CG 4.17Å; R345-R347 PolarHBondContact O-N 3.4Å
346	Q	79.1	Confident	86	Confident	180 Å²	180	85.2 Å²	85.2	84%	0.841	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	32.8	-177.9	-57.3	-178.3	-3.2	0	0	113.9	L342 L343 I344	L342-Q346 PolarHBondContact O-N 2.9Å; L343-Q346 WeakPolarHBondContact O-CA 3.48Å; L343-Q346 PolarHBondContact O-N 3.21Å; I344-Q346 PolarHBondContact O-N 3.38Å
347	R	65.6	Low	85.3	Confident	175 Å²	175	91.7 Å²	91.7	66%	0.66	43%	0.425	S	S	*	.			trans	-92	-16	179.3	-70.1	-171.9	176	-169.8	-2.1	113.5	L342 R345	L342-R347 HydrophobicContact CB-CB 4.4Å; L342-R347 HydrophobicContact CD2-CB 4.02Å; L342-R347 PolarHBondContact O-N 2.99Å; R345-R347 HydrophobicContact CB-CG 4.17Å; R345-R347 PolarHBondContact O-N 3.4Å
348	I	72	Confident	84.5	Confident	43 Å²	43	90.6 Å²	90.6	22%	0.221	41%	0.414	C	S	.	.			trans	-144.9	0	173.1	60.3	179.8	0	0	0	110.3	Y255 K256 Y303 L339 L342 L343	Y255-I348 WeakPolarHBondContact CE1-OXT 3.45Å; K256-I348 HydrophobicContact CD-CG2 4.48Å; K256-I348 HydrophobicContact CG-CG2 4.36Å; Y303-I348 HydrophobicContact CE1-CD1 4.34Å; L339-I348 HydrophobicContact CD2-CD1 4.05Å; L342-I348 HydrophobicContact CB-CD1 3.66Å; L342-I348 HydrophobicContact CB-CG1 3.71Å; L342-I348 HydrophobicContact CD1-CD1 4.16Å; L343-I348 HydrophobicContact CD2-CD1 4.48Å; L343-I348 HydrophobicContact CD2-CG1 3.88Å; L343-I348 HydrophobicContact CG-CG1 4.22Å

Retrieved 348 of 348 residues in 1726.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).