A0A060XLU3_ONCMY Loading...

Cytochrome c oxidase assembly factor 7

Required for assembly of mitochondrial respiratory chain complexes.

AlphaFold DB , UniProt , Accession A0A060XLU3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110524493, Length 229 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	79.5	Confident	245 Å²	245	134.1 Å²	134.1	100%	1.207	70%	0.702	S	S	*	*				0	96	0	-79.9	-175.1	-84	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.39Å
2	S	54.3	Low	80.5	Confident	129 Å²	129	130.2 Å²	130.2	90%	0.902	68%	0.677	S	S	*	*			trans	-69.1	107.6	170.8	0.8	0	0	0	0	106.7
3	G	69.4	Low	81.3	Confident	62 Å²	62	122.9 Å²	122.9	64%	0.639	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-58.7	153.2	168.3	0	0	0	0	0	109.9	M1 I5	M1-G3 PolarHBondContact O-N 3.39Å; G3-I5 PolarHBondContact O-N 3.22Å
4	L	80.6	Confident	81.9	Confident	177 Å²	177	123.9 Å²	123.9	93%	0.927	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-57.9	132.6	170.2	-68.5	166.9	0	0	0	108.5
5	I	83.6	Confident	82.5	Confident	51 Å²	51	122.9 Å²	122.9	26%	0.262	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-69.3	131.2	178.3	-65.6	155.5	0	0	0	108.5	G3 F7 E12 Y16	G3-I5 PolarHBondContact O-N 3.22Å; I5-F7 HydrophobicContact CG2-CD1 4.48Å; I5-F7 HydrophobicContact CG2-CE1 4.39Å; I5-F7 PolarHBondContact O-N 2.97Å; I5-E12 HydrophobicContact CG2-CB 4.28Å; I5-Y16 HydrophobicContact CD1-CD1 3.92Å; I5-Y16 HydrophobicContact CD1-CD2 3.09Å; I5-Y16 HydrophobicContact CD1-CE1 4.16Å; I5-Y16 HydrophobicContact CD1-CE2 3.37Å; I5-Y16 HydrophobicContact CD1-CG 3.35Å; I5-Y16 HydrophobicContact CG1-CD2 4.38Å; I5-Y16 HydrophobicContact CG1-CG 4.49Å
6	N	87.4	Confident	83	Confident	74 Å²	74	121.3 Å²	121.3	40%	0.396	61%	0.614	S	S	.	*			trans	-78.8	105.5	170.9	-175.8	5.7	0	0	0	110	E8 D9 E12	N6-E8 PolarHBondContact O-N 3.4Å; N6-E8 WeakPolarHBondContact OD1-CB 3.43Å; N6-E8 PolarHBondContact OD1-N 3.47Å; N6-D9 HydrophobicContact CB-CB 4.15Å; N6-D9 PolarHBondContact O-N 3.13Å; N6-D9 VanDerWaalsContact O-N 3.09Å; N6-E12 WeakPolarHBondContact CB-OE2 3.01Å; N6-E12 PolarHBondContact N-OE2 3.3Å
7	F	87.4	Confident	83.4	Confident	153 Å²	153	117.3 Å²	117.3	67%	0.671	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-10.3	179.2	-69	-71.9	0	0	0	114.3	I5 V13	I5-F7 HydrophobicContact CG2-CD1 4.48Å; I5-F7 HydrophobicContact CG2-CE1 4.39Å; I5-F7 PolarHBondContact O-N 2.97Å; F7-V13 HydrophobicContact CD1-CG2 4.13Å
8	E	92.5	Very high	83.8	Confident	181 Å²	181	113.7 Å²	113.7	85%	0.846	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-14.8	171.3	-58.6	-177.2	167.9	0	0	112.3	N6	N6-E8 PolarHBondContact O-N 3.4Å; N6-E8 WeakPolarHBondContact OD1-CB 3.43Å; N6-E8 PolarHBondContact OD1-N 3.47Å
9	D	92.9	Very high	84.2	Confident	60 Å²	60	112.4 Å²	112.4	32%	0.321	57%	0.572	S	S	.	*			trans	-93.2	107	176.1	-171.3	-37.7	0	0	0	110.8	N6 K11 E12 V13	N6-D9 HydrophobicContact CB-CB 4.15Å; N6-D9 PolarHBondContact O-N 3.13Å; N6-D9 VanDerWaalsContact O-N 3.09Å; D9-K11 PolarHBondContact O-N 2.93Å; D9-K11 WeakPolarHBondContact OD1-CA 3.2Å; D9-K11 WeakPolarHBondContact OD1-CB 3.21Å; D9-K11 PolarHBondContact OD1-N 2.95Å; D9-E12 HydrophobicContact CB-CB 4.1Å; D9-E12 HydrophobicContact CB-CG 4.07Å; D9-E12 PolarHBondContact O-N 2.57Å; D9-E12 PolarHBondContact OD1-N 3.22Å; D9-V13 WeakPolarHBondContact O-CG2 3.49Å; D9-V13 PolarHBondContact O-N 2.74Å
10	E	92	Very high	84.7	Confident	171 Å²	171	108.6 Å²	108.6	80%	0.799	55%	0.552	S	S	*	*	H	α-helix	trans	-56.9	-32.4	180	-66	-173	167	0	0	113.8	K14	E10-K14 VanDerWaalsContact O-CB 3.24Å; E10-K14 WeakPolarHBondContact O-CB 3.38Å; E10-K14 PolarHBondContact O-N 3.4Å
11	K	91.4	Very high	85.1	Confident	172 Å²	172	103.8 Å²	103.8	75%	0.748	53%	0.53	S	S	*	.	H	α-helix	trans	-73.9	-42.8	-180	-66.3	179.9	-178.8	173.4	0	110.7	D9 K14 Q15	D9-K11 PolarHBondContact O-N 2.93Å; D9-K11 WeakPolarHBondContact OD1-CA 3.2Å; D9-K11 WeakPolarHBondContact OD1-CB 3.21Å; D9-K11 PolarHBondContact OD1-N 2.95Å; K11-K14 PolarHBondContact O-N 3Å; K11-Q15 WeakPolarHBondContact O-CB 3.19Å; K11-Q15 PolarHBondContact O-N 3.24Å
12	E	92.1	Very high	87.7	Confident	87 Å²	87	97 Å²	97	41%	0.407	50%	0.502	S	S	.	.	H	α-helix	trans	-63.1	-44.8	175.2	-69.6	-164.3	-176.5	0	0	111.2	I5 N6 D9 K14 Q15 Y16	I5-E12 HydrophobicContact CG2-CB 4.28Å; N6-E12 WeakPolarHBondContact CB-OE2 3.01Å; N6-E12 PolarHBondContact N-OE2 3.3Å; D9-E12 HydrophobicContact CB-CB 4.1Å; D9-E12 HydrophobicContact CB-CG 4.07Å; D9-E12 PolarHBondContact O-N 2.57Å; D9-E12 PolarHBondContact OD1-N 3.22Å; E12-K14 PolarHBondContact O-N 3.45Å; E12-Q15 PolarHBondContact O-N 2.95Å; E12-Y16 WeakPolarHBondContact O-CB 3.22Å; E12-Y16 PolarHBondContact O-N 3.25Å
13	V	90.8	Very high	89.7	Confident	36 Å²	36	95.2 Å²	95.2	22%	0.218	48%	0.48	C	S	.	.	H	α-helix	trans	-59.5	-47	176.3	173.1	0	0	0	0	110.9	F7 D9 Q15 Y16 L17	F7-V13 HydrophobicContact CD1-CG2 4.13Å; D9-V13 WeakPolarHBondContact O-CG2 3.49Å; D9-V13 PolarHBondContact O-N 2.74Å; V13-Q15 PolarHBondContact O-N 3.49Å; V13-Y16 PolarHBondContact O-N 2.97Å; V13-L17 HydrophobicContact CG1-CD1 3.96Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 3.2Å
14	K	89.6	Confident	91.1	Very high	137 Å²	137	94.3 Å²	94.3	60%	0.596	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-46.5	179	-174.5	178.7	179.7	-178.5	0	112	E10 K11 E12 Y16 L17 D18	E10-K14 VanDerWaalsContact O-CB 3.24Å; E10-K14 WeakPolarHBondContact O-CB 3.38Å; E10-K14 PolarHBondContact O-N 3.4Å; K11-K14 PolarHBondContact O-N 3Å; E12-K14 PolarHBondContact O-N 3.45Å; K14-Y16 VanDerWaalsContact C-N 3.31Å; K14-Y16 PolarHBondContact O-N 2.66Å; K14-L17 PolarHBondContact O-N 2.99Å; K14-D18 PolarHBondContact O-N 2.79Å
15	Q	91.1	Very high	91.9	Very high	109 Å²	109	88 Å²	88	51%	0.509	43%	0.428	S	S	.	.	H	α-helix	trans	-62.1	-40.9	178.6	-175.6	63.8	51.2	0	0	111.6	K11 E12 V13 D18 N19	K11-Q15 WeakPolarHBondContact O-CB 3.19Å; K11-Q15 PolarHBondContact O-N 3.24Å; E12-Q15 PolarHBondContact O-N 2.95Å; V13-Q15 PolarHBondContact O-N 3.49Å; Q15-D18 PolarHBondContact O-N 3.03Å; Q15-N19 PolarHBondContact NE2-OD1 3.4Å; Q15-N19 PolarHBondContact O-N 3.44Å; Q15-N19 PolarHBondContact O-ND2 3.25Å; Q15-N19 PolarHBondContact O-OD1 2.97Å
16	Y	90.3	Very high	92.6	Very high	96 Å²	96	91.3 Å²	91.3	38%	0.376	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-47.6	175.5	172.3	-115.2	0	0	0	112.2	I5 E12 V13 K14 D18 N19 I20	I5-Y16 HydrophobicContact CD1-CD1 3.92Å; I5-Y16 HydrophobicContact CD1-CD2 3.09Å; I5-Y16 HydrophobicContact CD1-CE1 4.16Å; I5-Y16 HydrophobicContact CD1-CE2 3.37Å; I5-Y16 HydrophobicContact CD1-CG 3.35Å; I5-Y16 HydrophobicContact CG1-CD2 4.38Å; I5-Y16 HydrophobicContact CG1-CG 4.49Å; E12-Y16 WeakPolarHBondContact O-CB 3.22Å; E12-Y16 PolarHBondContact O-N 3.25Å; V13-Y16 PolarHBondContact O-N 2.97Å; K14-Y16 VanDerWaalsContact C-N 3.31Å; K14-Y16 PolarHBondContact O-N 2.66Å; Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 2.91Å; Y16-N19 PolarHBondContact O-N 2.91Å; Y16-I20 HydrophobicContact CD1-CD1 3.89Å; Y16-I20 HydrophobicContact CD2-CD1 4.31Å; Y16-I20 HydrophobicContact CD2-CG1 4.45Å; Y16-I20 HydrophobicContact CE1-CD1 3.32Å; Y16-I20 HydrophobicContact CE1-CG1 4.39Å; Y16-I20 HydrophobicContact CE2-CD1 3.82Å; Y16-I20 HydrophobicContact CE2-CG1 4.12Å; Y16-I20 HydrophobicContact CG-CD1 4.38Å; Y16-I20 PolarHBondContact O-N 3.43Å
17	L	89.4	Confident	93.1	Very high	54 Å²	54	89 Å²	89	28%	0.283	43%	0.426	S	S	.	.	H	α-helix	trans	-60.3	-43.4	177.3	-69.8	172.6	0	0	0	111.3	V13 K14 N19 I20 G21 Y43 V47	V13-L17 HydrophobicContact CG1-CD1 3.96Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 3.2Å; K14-L17 PolarHBondContact O-N 2.99Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 3.39Å; L17-I20 WeakPolarHBondContact O-CB 3.32Å; L17-I20 PolarHBondContact O-N 3.49Å; L17-G21 PolarHBondContact O-N 2.96Å; L17-G21 VanDerWaalsContact O-N 3.09Å; L17-Y43 HydrophobicContact CB-CE2 4.39Å; L17-Y43 VanDerWaalsContact O-CE2 3.26Å; L17-Y43 WeakPolarHBondContact O-CE2 3.35Å; L17-Y43 VanDerWaalsContact O-CZ 3.28Å; L17-Y43 PolarHBondContact O-OH 3.36Å; L17-V47 HydrophobicContact CB-CG1 4.44Å; L17-V47 HydrophobicContact CD1-CG1 4Å; L17-V47 HydrophobicContact CD2-CG1 4.34Å
18	D	90.8	Very high	93.7	Very high	52 Å²	52	81.7 Å²	81.7	28%	0.278	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-45	175.9	-75.6	-23.7	0	0	0	111.8	K14 Q15 Y16 I20 G21 V22 K48	K14-D18 PolarHBondContact O-N 2.79Å; Q15-D18 PolarHBondContact O-N 3.03Å; Y16-D18 VanDerWaalsContact C-N 3.32Å; Y16-D18 PolarHBondContact O-N 2.91Å; D18-I20 PolarHBondContact O-N 2.97Å; D18-G21 PolarHBondContact O-N 3.23Å; D18-V22 PolarHBondContact O-N 2.95Å; D18-K48 WeakPolarHBondContact OD1-CE 3.5Å; D18-K48 IonicContact OD1-NZ 2.65Å; D18-K48 PolarHBondContact OD1-NZ 3.18Å
19	N	92.3	Very high	93.9	Very high	90 Å²	90	78 Å²	78	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-38.1	177.6	-68.2	-12.6	0	0	0	112.3	Q15 Y16 L17 G21 V22 E23	Q15-N19 PolarHBondContact NE2-OD1 3.4Å; Q15-N19 PolarHBondContact O-N 3.44Å; Q15-N19 PolarHBondContact O-ND2 3.25Å; Q15-N19 PolarHBondContact O-OD1 2.97Å; Y16-N19 PolarHBondContact O-N 2.91Å; L17-N19 VanDerWaalsContact C-N 3.34Å; L17-N19 PolarHBondContact O-N 3.39Å; N19-G21 VanDerWaalsContact C-N 3.31Å; N19-G21 PolarHBondContact O-N 2.96Å; N19-V22 PolarHBondContact O-N 2.92Å; N19-E23 PolarHBondContact O-N 3.43Å; N19-E23 VanDerWaalsContact O-N 3.07Å
20	I	93.3	Very high	94.2	Very high	35 Å²	35	84.3 Å²	84.3	18%	0.179	39%	0.392	C	S	.	.	H	α-helix	trans	-59.7	-42.9	173.6	-77.6	175.8	0	0	0	111.1	Y16 L17 D18 V22 E23 F24 Y43	Y16-I20 HydrophobicContact CD1-CD1 3.89Å; Y16-I20 HydrophobicContact CD2-CD1 4.31Å; Y16-I20 HydrophobicContact CD2-CG1 4.45Å; Y16-I20 HydrophobicContact CE1-CD1 3.32Å; Y16-I20 HydrophobicContact CE1-CG1 4.39Å; Y16-I20 HydrophobicContact CE2-CD1 3.82Å; Y16-I20 HydrophobicContact CE2-CG1 4.12Å; Y16-I20 HydrophobicContact CG-CD1 4.38Å; Y16-I20 PolarHBondContact O-N 3.43Å; L17-I20 WeakPolarHBondContact O-CB 3.32Å; L17-I20 PolarHBondContact O-N 3.49Å; D18-I20 PolarHBondContact O-N 2.97Å; I20-V22 VanDerWaalsContact C-N 3.27Å; I20-V22 PolarHBondContact O-N 3.45Å; I20-E23 PolarHBondContact O-N 3.44Å; I20-F24 HydrophobicContact CG2-CD1 4.42Å; I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE1 4.02Å; I20-F24 HydrophobicContact CG2-CE2 3.15Å; I20-F24 HydrophobicContact CG2-CG 4.25Å; I20-F24 HydrophobicContact CG2-CZ 3.38Å; I20-F24 WeakPolarHBondContact O-CG 3.47Å; I20-F24 PolarHBondContact O-N 2.92Å; I20-Y43 HydrophobicContact CG2-CD2 4.39Å
21	G	94.6	Very high	94.4	Very high	8 Å²	8	81.4 Å²	81.4	8%	0.082	38%	0.378	C	S	.	.	H	α-helix	trans	-58.6	-39.7	177.6	0	0	0	0	0	112.8	L17 D18 N19 S25	L17-G21 PolarHBondContact O-N 2.96Å; L17-G21 VanDerWaalsContact O-N 3.09Å; D18-G21 PolarHBondContact O-N 3.23Å; N19-G21 VanDerWaalsContact C-N 3.31Å; N19-G21 PolarHBondContact O-N 2.96Å; G21-S25 VanDerWaalsContact O-CB 3.32Å; G21-S25 WeakPolarHBondContact O-CB 3.27Å; G21-S25 PolarHBondContact O-N 3.03Å
22	V	95.9	Very high	94.8	Very high	103 Å²	103	80 Å²	80	62%	0.624	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-45.5	175.8	177.3	0	0	0	0	111	D18 N19 I20 S25 Y26	D18-V22 PolarHBondContact O-N 2.95Å; N19-V22 PolarHBondContact O-N 2.92Å; I20-V22 VanDerWaalsContact C-N 3.27Å; I20-V22 PolarHBondContact O-N 3.45Å; V22-S25 WeakPolarHBondContact O-CB 3.45Å; V22-S25 PolarHBondContact O-N 3.19Å; V22-Y26 PolarHBondContact O-N 3.3Å
23	E	96.7	Very high	95.1	Very high	92 Å²	92	78 Å²	78	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-49.9	178	-179.9	61.3	-161.4	0	0	111.6	N19 I20 S25 Y26 Q27	N19-E23 PolarHBondContact O-N 3.43Å; N19-E23 VanDerWaalsContact O-N 3.07Å; I20-E23 PolarHBondContact O-N 3.44Å; E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.03Å; E23-Y26 WeakPolarHBondContact O-CB 3.49Å; E23-Y26 PolarHBondContact O-N 3.16Å; E23-Y26 VanDerWaalsContact O-N 3.16Å; E23-Q27 WeakPolarHBondContact O-CG 3.34Å; E23-Q27 PolarHBondContact O-N 3.33Å; E23-Q27 PolarHBondContact OE1-NE2 2.88Å
24	F	98.2	Very high	95.4	Very high	42 Å²	42	78.1 Å²	78.1	18%	0.184	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-35	177.5	-63.2	-18.7	0	0	0	112.3	I20 C28 R39 L40 Y43	I20-F24 HydrophobicContact CG2-CD1 4.42Å; I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE1 4.02Å; I20-F24 HydrophobicContact CG2-CE2 3.15Å; I20-F24 HydrophobicContact CG2-CG 4.25Å; I20-F24 HydrophobicContact CG2-CZ 3.38Å; I20-F24 WeakPolarHBondContact O-CG 3.47Å; I20-F24 PolarHBondContact O-N 2.92Å; F24-C28 VanDerWaalsContact O-CB 3.3Å; F24-C28 WeakPolarHBondContact O-CB 3.36Å; F24-C28 PolarHBondContact O-N 3.44Å; F24-R39 HydrophobicContact CD1-CB 4.02Å; F24-R39 HydrophobicContact CD2-CB 3.94Å; F24-R39 WeakPolarHBondContact CD2-O 3.02Å; F24-R39 HydrophobicContact CE1-CB 4.08Å; F24-R39 HydrophobicContact CE2-CB 3.97Å; F24-R39 HydrophobicContact CG-CB 3.96Å; F24-R39 HydrophobicContact CZ-CB 4.05Å; F24-L40 HydrophobicContact CB-CB 3.86Å; F24-L40 HydrophobicContact CB-CD1 3.97Å; F24-Y43 HydrophobicContact CD2-CG 4.39Å
25	S	97.9	Very high	95.8	Very high	44 Å²	44	76.5 Å²	76.5	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-42.7	174.4	-172.1	0	0	0	0	112.2	G21 V22 E23 C28 Y29	G21-S25 VanDerWaalsContact O-CB 3.32Å; G21-S25 WeakPolarHBondContact O-CB 3.27Å; G21-S25 PolarHBondContact O-N 3.03Å; V22-S25 WeakPolarHBondContact O-CB 3.45Å; V22-S25 PolarHBondContact O-N 3.19Å; E23-S25 VanDerWaalsContact C-N 3.26Å; E23-S25 PolarHBondContact O-N 3.03Å; S25-C28 PolarHBondContact O-N 3.35Å; S25-Y29 WeakPolarHBondContact O-CD2 3.5Å; S25-Y29 PolarHBondContact O-N 3.3Å
26	Y	98.1	Very high	96.1	Very high	121 Å²	121	71.3 Å²	71.3	48%	0.475	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-48.6	176.2	-175.9	-93.1	0	0	0	111.3	V22 E23 C28 Y29 R30 E31	V22-Y26 PolarHBondContact O-N 3.3Å; E23-Y26 WeakPolarHBondContact O-CB 3.49Å; E23-Y26 PolarHBondContact O-N 3.16Å; E23-Y26 VanDerWaalsContact O-N 3.16Å; Y26-C28 PolarHBondContact O-N 3.38Å; Y26-Y29 PolarHBondContact O-N 3.39Å; Y26-R30 HydrophobicContact CD2-CB 3.87Å; Y26-R30 HydrophobicContact CD2-CG 3.7Å; Y26-R30 HydrophobicContact CE1-CB 4.44Å; Y26-R30 HydrophobicContact CE2-CB 3.77Å; Y26-R30 HydrophobicContact CE2-CG 3.81Å; Y26-R30 HydrophobicContact CG-CB 4.25Å; Y26-R30 HydrophobicContact CG-CG 4.41Å; Y26-R30 WeakPolarHBondContact O-CA 3.42Å; Y26-R30 VanDerWaalsContact O-CB 3.26Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 3.31Å; Y26-E31 HydrophobicContact CD1-CG 3.91Å; Y26-E31 HydrophobicContact CE1-CG 3.6Å; Y26-E31 WeakPolarHBondContact CE1-OE1 3.37Å; Y26-E31 PolarHBondContact O-N 3.02Å; Y26-E31 VanDerWaalsContact O-N 3.15Å
27	Q	98.5	Very high	96.5	Very high	26 Å²	26	66.8 Å²	66.8	12%	0.121	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-46.1	177.8	-67.7	175.8	-3.8	0	0	111.7	E23 E31 K32 D33	E23-Q27 WeakPolarHBondContact O-CG 3.34Å; E23-Q27 PolarHBondContact O-N 3.33Å; E23-Q27 PolarHBondContact OE1-NE2 2.88Å; Q27-E31 WeakPolarHBondContact CG-OE2 3.42Å; Q27-E31 CarbonylContact O-C 3.4Å; Q27-E31 WeakPolarHBondContact O-CB 3.48Å; Q27-E31 PolarHBondContact O-N 3.25Å; Q27-K32 PolarHBondContact O-N 2.02Å; Q27-K32 VanDerWaalsContact O-N 3.11Å; Q27-D33 PolarHBondContact O-N 3.4Å
28	C	98.5	Very high	96.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-55.4	178.4	179.6	0	0	0	0	112.5	F24 S25 Y26 K32 C37 L40	F24-C28 VanDerWaalsContact O-CB 3.3Å; F24-C28 WeakPolarHBondContact O-CB 3.36Å; F24-C28 PolarHBondContact O-N 3.44Å; S25-C28 PolarHBondContact O-N 3.35Å; Y26-C28 PolarHBondContact O-N 3.38Å; C28-K32 VanDerWaalsContact O-CA 3.31Å; C28-K32 WeakPolarHBondContact O-CA 3.28Å; C28-K32 PolarHBondContact O-N 3Å; C28-C37 WeakPolarHBondContact CA-SG 3.46Å; C28-C37 HydrophobicContact CB-CB 3.82Å; C28-C37 WeakPolarHBondContact CB-SG 3.33Å; C28-C37 WeakPolarHBondContact SG-CA 3.1Å; C28-C37 WeakPolarHBondContact SG-CB 3.41Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.34Å; C28-L40 HydrophobicContact CB-CD2 4.11Å
29	Y	97.8	Very high	97.3	Very high	103 Å²	103	65.8 Å²	65.8	40%	0.404	31%	0.307	S	S	.	.	H	α-helix	trans	-96	-29	-166.2	-63.2	-57.8	0	0	0	114.8	S25 Y26 L40 V57 H60	S25-Y29 WeakPolarHBondContact O-CD2 3.5Å; S25-Y29 PolarHBondContact O-N 3.3Å; Y26-Y29 PolarHBondContact O-N 3.39Å; Y29-L40 HydrophobicContact CD2-CD2 4.46Å; Y29-L40 HydrophobicContact CE2-CD2 3.76Å; Y29-V57 WeakPolarHBondContact OH-CG2 3.33Å; Y29-H60 AromaticContact CE1-CD2 3.79Å
30	R	98.1	Very high	97.6	Very high	193 Å²	193	61.6 Å²	61.6	73%	0.728	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-48.2	-179.6	-61.2	-60.6	-120.3	177.7	1.4	111.7	Y26 K32	Y26-R30 HydrophobicContact CD2-CB 3.87Å; Y26-R30 HydrophobicContact CD2-CG 3.7Å; Y26-R30 HydrophobicContact CE1-CB 4.44Å; Y26-R30 HydrophobicContact CE2-CB 3.77Å; Y26-R30 HydrophobicContact CE2-CG 3.81Å; Y26-R30 HydrophobicContact CG-CB 4.25Å; Y26-R30 HydrophobicContact CG-CG 4.41Å; Y26-R30 WeakPolarHBondContact O-CA 3.42Å; Y26-R30 VanDerWaalsContact O-CB 3.26Å; Y26-R30 WeakPolarHBondContact O-CB 3.47Å; Y26-R30 PolarHBondContact O-N 3.31Å; R30-K32 VanDerWaalsContact C-N 3.29Å
31	E	98.3	Very high	97.9	Very high	110 Å²	110	60 Å²	60	51%	0.514	28%	0.276	S	S	.	.	S	Bend	trans	-81.9	-13.2	178.6	-53.9	-171.1	147.1	0	0	112.7	Y26 Q27 D33	Y26-E31 HydrophobicContact CD1-CG 3.91Å; Y26-E31 HydrophobicContact CE1-CG 3.6Å; Y26-E31 WeakPolarHBondContact CE1-OE1 3.37Å; Y26-E31 PolarHBondContact O-N 3.02Å; Y26-E31 VanDerWaalsContact O-N 3.15Å; Q27-E31 WeakPolarHBondContact CG-OE2 3.42Å; Q27-E31 CarbonylContact O-C 3.4Å; Q27-E31 WeakPolarHBondContact O-CB 3.48Å; Q27-E31 PolarHBondContact O-N 3.25Å; E31-D33 PolarHBondContact O-N 3.42Å
32	K	98.3	Very high	98	Very high	141 Å²	141	62.2 Å²	62.2	61%	0.613	29%	0.286	S	S	*	.			trans	62.4	32.1	179	-60	179.1	-177.5	179	0	112	Q27 C28 R30 P34 Y65	Q27-K32 PolarHBondContact O-N 2.02Å; Q27-K32 VanDerWaalsContact O-N 3.11Å; C28-K32 VanDerWaalsContact O-CA 3.31Å; C28-K32 WeakPolarHBondContact O-CA 3.28Å; C28-K32 PolarHBondContact O-N 3Å; R30-K32 VanDerWaalsContact C-N 3.29Å; K32-P34 WeakPolarHBondContact O-CD 3.33Å; K32-Y65 VanDerWaalsContact CA-OH 3.32Å; K32-Y65 WeakPolarHBondContact CA-OH 3.3Å; K32-Y65 HydrophobicContact CB-CE1 4.37Å; K32-Y65 WeakPolarHBondContact CB-OH 2.99Å; K32-Y65 WeakPolarHBondContact O-CE1 3.42Å
33	D	98.4	Very high	98.1	Very high	45 Å²	45	58.2 Å²	58.2	24%	0.241	26%	0.26	C	S	.	.			trans	-84	115.1	179.1	175.7	22.4	0	0	0	111	Q27 E31 E35 G36 C37 R39	Q27-D33 PolarHBondContact O-N 3.4Å; E31-D33 PolarHBondContact O-N 3.42Å; D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 2.96Å; D33-E35 PolarHBondContact OD1-N 2.85Å; D33-G36 VanDerWaalsContact CG-N 3.34Å; D33-G36 PolarHBondContact O-N 3.44Å; D33-G36 VanDerWaalsContact O-N 3.16Å; D33-G36 PolarHBondContact OD2-N 2.85Å; D33-C37 PolarHBondContact O-N 3.41Å; D33-R39 IonicContact OD2-NH2 3.73Å; D33-R39 PolarHBondContact OD2-NH2 3.04Å; D33-R39 VanDerWaalsContact OD2-NH2 3.08Å
34	P	97.9	Very high	98.1	Very high	39 Å²	39	55.6 Å²	55.6	25%	0.253	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-32.5	177.2	-21	32.8	0	0	0	113.4	K32 C37 Q38 N61 Y65 H67	K32-P34 WeakPolarHBondContact O-CD 3.33Å; P34-C37 WeakPolarHBondContact O-CB 3.37Å; P34-C37 PolarHBondContact O-N 3.38Å; P34-Q38 PolarHBondContact O-N 3.09Å; P34-N61 WeakPolarHBondContact CA-OD1 3.01Å; P34-N61 PolarHBondContact O-ND2 3.04Å; P34-Y65 HydrophobicContact CB-CD2 4.4Å; P34-Y65 HydrophobicContact CB-CG 4.13Å; P34-Y65 HydrophobicContact CG-CD1 3.81Å; P34-Y65 HydrophobicContact CG-CD2 4.27Å; P34-Y65 HydrophobicContact CG-CE1 4.46Å; P34-Y65 HydrophobicContact CG-CG 3.68Å; P34-H67 HydrophobicContact CB-CB 4.31Å
35	E	97.6	Very high	98.1	Very high	104 Å²	104	55.7 Å²	55.7	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-72.9	-36.1	177.5	-68.2	-65.5	164.9	0	0	110.8	D33 C37 Q38 R39 H67	D33-E35 VanDerWaalsContact C-N 3.26Å; D33-E35 PolarHBondContact O-N 2.96Å; D33-E35 PolarHBondContact OD1-N 2.85Å; E35-C37 VanDerWaalsContact C-N 3.33Å; E35-Q38 PolarHBondContact O-N 3.3Å; E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 WeakPolarHBondContact O-CG 3.4Å; E35-R39 PolarHBondContact O-N 3.45Å; E35-R39 PolarHBondContact O-NE 3.49Å; E35-H67 IonicContact OE1-NE2 2.59Å; E35-H67 PolarHBondContact OE1-NE2 2.93Å
36	G	98.3	Very high	98	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-44.4	168.5	0	0	0	0	0	112	D33 R39 L40	D33-G36 VanDerWaalsContact CG-N 3.34Å; D33-G36 PolarHBondContact O-N 3.44Å; D33-G36 VanDerWaalsContact O-N 3.16Å; D33-G36 PolarHBondContact OD2-N 2.85Å; G36-R39 PolarHBondContact O-N 3.34Å; G36-L40 WeakPolarHBondContact O-CB 3.36Å; G36-L40 PolarHBondContact O-N 3.29Å
37	C	98.6	Very high	97.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-40.5	174	-66.1	0	0	0	0	113.1	C28 D33 P34 E35 L40 A41 V57 N61	C28-C37 WeakPolarHBondContact CA-SG 3.46Å; C28-C37 HydrophobicContact CB-CB 3.82Å; C28-C37 WeakPolarHBondContact CB-SG 3.33Å; C28-C37 WeakPolarHBondContact SG-CA 3.1Å; C28-C37 WeakPolarHBondContact SG-CB 3.41Å; C28-C37 CovalentContact SG-SG 2.04Å; C28-C37 PolarHBondContact SG-SG 3.34Å; D33-C37 PolarHBondContact O-N 3.41Å; P34-C37 WeakPolarHBondContact O-CB 3.37Å; P34-C37 PolarHBondContact O-N 3.38Å; E35-C37 VanDerWaalsContact C-N 3.33Å; C37-L40 PolarHBondContact O-N 3.16Å; C37-A41 PolarHBondContact O-N 3.06Å; C37-V57 HydrophobicContact CB-CG1 4.31Å; C37-V57 WeakPolarHBondContact O-CG1 3.36Å; C37-N61 HydrophobicContact CB-CB 3.8Å; C37-N61 WeakPolarHBondContact CB-ND2 3.5Å
38	Q	98.1	Very high	97.7	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-45.1	175.9	-179.2	55.5	47.3	0	0	111.3	P34 E35 L40 A41 D42 N61 S70 K73	P34-Q38 PolarHBondContact O-N 3.09Å; E35-Q38 PolarHBondContact O-N 3.3Å; Q38-L40 VanDerWaalsContact C-N 3.33Å; Q38-L40 PolarHBondContact O-N 3.08Å; Q38-A41 WeakPolarHBondContact O-CB 3.35Å; Q38-A41 PolarHBondContact O-N 3.44Å; Q38-D42 PolarHBondContact NE2-OD1 3.03Å; Q38-D42 PolarHBondContact NE2-OD2 3.13Å; Q38-D42 PolarHBondContact O-N 2.89Å; Q38-N61 PolarHBondContact N-ND2 3.24Å; Q38-S70 PolarHBondContact OE1-OG 3.36Å; Q38-K73 VanDerWaalsContact NE2-NZ 3.1Å
39	R	98.3	Very high	97.6	Very high	82 Å²	82	62.4 Å²	62.4	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-37.6	177.2	-73.1	177.7	-78.6	125.9	-4.1	112.4	F24 D33 E35 G36 D42 Y43	F24-R39 HydrophobicContact CD1-CB 4.02Å; F24-R39 HydrophobicContact CD2-CB 3.94Å; F24-R39 WeakPolarHBondContact CD2-O 3.02Å; F24-R39 HydrophobicContact CE1-CB 4.08Å; F24-R39 HydrophobicContact CE2-CB 3.97Å; F24-R39 HydrophobicContact CG-CB 3.96Å; F24-R39 HydrophobicContact CZ-CB 4.05Å; D33-R39 IonicContact OD2-NH2 3.73Å; D33-R39 PolarHBondContact OD2-NH2 3.04Å; D33-R39 VanDerWaalsContact OD2-NH2 3.08Å; E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 WeakPolarHBondContact O-CG 3.4Å; E35-R39 PolarHBondContact O-N 3.45Å; E35-R39 PolarHBondContact O-NE 3.49Å; G36-R39 PolarHBondContact O-N 3.34Å; R39-D42 PolarHBondContact O-N 3.4Å; R39-Y43 VanDerWaalsContact O-CB 3.32Å; R39-Y43 WeakPolarHBondContact O-CB 3.41Å; R39-Y43 PolarHBondContact O-N 3Å
40	L	98.6	Very high	97.6	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-45.4	172.9	-176.4	63.2	0	0	0	111.7	F24 C28 Y29 G36 C37 Q38 Y43 M44 V57	F24-L40 HydrophobicContact CB-CB 3.86Å; F24-L40 HydrophobicContact CB-CD1 3.97Å; C28-L40 HydrophobicContact CB-CD2 4.11Å; Y29-L40 HydrophobicContact CD2-CD2 4.46Å; Y29-L40 HydrophobicContact CE2-CD2 3.76Å; G36-L40 WeakPolarHBondContact O-CB 3.36Å; G36-L40 PolarHBondContact O-N 3.29Å; C37-L40 PolarHBondContact O-N 3.16Å; Q38-L40 VanDerWaalsContact C-N 3.33Å; Q38-L40 PolarHBondContact O-N 3.08Å; L40-Y43 PolarHBondContact O-N 2.96Å; L40-M44 HydrophobicContact CD1-CE 3.82Å; L40-M44 HydrophobicContact CD2-CE 4.15Å; L40-M44 HydrophobicContact CG-CE 3.91Å; L40-M44 HydrophobicContact CG-SD 4.33Å; L40-M44 WeakPolarHBondContact O-CB 3.38Å; L40-M44 WeakPolarHBondContact O-CG 3.35Å; L40-M44 PolarHBondContact O-N 3.42Å; L40-V57 HydrophobicContact CB-CG1 4.25Å; L40-V57 HydrophobicContact CD2-CG1 4.08Å; L40-V57 HydrophobicContact CD2-CG2 3.81Å; L40-V57 HydrophobicContact CG-CG1 4.31Å; L40-V57 HydrophobicContact CG-CG2 4.18Å
41	A	98.4	Very high	97.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-45.8	177.2	0	0	0	0	0	111.5	C37 Q38 Y43 M44 E45 T54 V57 L58	C37-A41 PolarHBondContact O-N 3.06Å; Q38-A41 WeakPolarHBondContact O-CB 3.35Å; Q38-A41 PolarHBondContact O-N 3.44Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 3.31Å; A41-M44 PolarHBondContact O-N 3.48Å; A41-E45 WeakPolarHBondContact O-CB 3.44Å; A41-E45 PolarHBondContact O-N 3.48Å; A41-T54 HydrophobicContact CB-CG2 4.23Å; A41-V57 HydrophobicContact CB-CB 4.28Å; A41-V57 HydrophobicContact CB-CG1 3.97Å; A41-L58 HydrophobicContact CB-CD2 3.64Å; A41-L58 HydrophobicContact CB-CG 3.91Å
42	D	97.7	Very high	97.6	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-38.6	179.3	-67.3	-24.1	0	0	0	112.2	Q38 R39 G46 K73	Q38-D42 PolarHBondContact NE2-OD1 3.03Å; Q38-D42 PolarHBondContact NE2-OD2 3.13Å; Q38-D42 PolarHBondContact O-N 2.89Å; R39-D42 PolarHBondContact O-N 3.4Å; D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.11Å; D42-K73 IonicContact OD1-NZ 3.43Å; D42-K73 PolarHBondContact OD1-NZ 3.37Å; D42-K73 IonicContact OD2-NZ 2.79Å; D42-K73 PolarHBondContact OD2-NZ 3.42Å
43	Y	97.8	Very high	97.6	Very high	20 Å²	20	51.1 Å²	51.1	8%	0.078	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-48.1	172.5	169.5	-102.4	0	0	0	111.9	L17 I20 F24 R39 L40 A41 E45 V47 K48	L17-Y43 HydrophobicContact CB-CE2 4.39Å; L17-Y43 VanDerWaalsContact O-CE2 3.26Å; L17-Y43 WeakPolarHBondContact O-CE2 3.35Å; L17-Y43 VanDerWaalsContact O-CZ 3.28Å; L17-Y43 PolarHBondContact O-OH 3.36Å; I20-Y43 HydrophobicContact CG2-CD2 4.39Å; F24-Y43 HydrophobicContact CD2-CG 4.39Å; R39-Y43 VanDerWaalsContact O-CB 3.32Å; R39-Y43 WeakPolarHBondContact O-CB 3.41Å; R39-Y43 PolarHBondContact O-N 3Å; L40-Y43 PolarHBondContact O-N 2.96Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 3.31Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 3.24Å; Y43-V47 HydrophobicContact CD2-CB 3.81Å; Y43-V47 HydrophobicContact CD2-CG1 4.24Å; Y43-V47 HydrophobicContact CD2-CG2 3.79Å; Y43-V47 HydrophobicContact CE2-CB 3.89Å; Y43-V47 HydrophobicContact CE2-CG1 3.81Å; Y43-V47 HydrophobicContact CE2-CG2 4.2Å; Y43-V47 WeakPolarHBondContact O-CA 3.47Å; Y43-V47 VanDerWaalsContact O-CB 3.28Å; Y43-V47 WeakPolarHBondContact O-CB 3.48Å; Y43-V47 PolarHBondContact O-N 2.87Å; Y43-K48 HydrophobicContact CD1-CG 4.44Å; Y43-K48 HydrophobicContact CE1-CG 3.81Å; Y43-K48 PolarHBondContact O-N 2.9Å; Y43-K48 VanDerWaalsContact O-N 3.15Å; Y43-K48 WeakPolarHBondContact OH-CE 3.45Å
44	M	97.8	Very high	97.6	Very high	37 Å²	37	49 Å²	49	18%	0.182	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-40.3	179.2	-74.7	-177.9	175.5	0	0	112	L40 A41 K48 K49 N50 S53 T54 V57	L40-M44 HydrophobicContact CD1-CE 3.82Å; L40-M44 HydrophobicContact CD2-CE 4.15Å; L40-M44 HydrophobicContact CG-CE 3.91Å; L40-M44 HydrophobicContact CG-SD 4.33Å; L40-M44 WeakPolarHBondContact O-CB 3.38Å; L40-M44 WeakPolarHBondContact O-CG 3.35Å; L40-M44 PolarHBondContact O-N 3.42Å; A41-M44 PolarHBondContact O-N 3.48Å; M44-K48 CarbonylContact O-C 3.51Å; M44-K48 WeakPolarHBondContact O-CB 3.16Å; M44-K48 PolarHBondContact O-N 3.31Å; M44-K49 PolarHBondContact O-N 3.3Å; M44-N50 PolarHBondContact O-N 2.96Å; M44-S53 VanDerWaalsContact SD-CB 3.51Å; M44-T54 VanDerWaalsContact CB-OG1 3.26Å; M44-T54 WeakPolarHBondContact CB-OG1 3.48Å; M44-V57 HydrophobicContact CE-CG2 4.16Å; M44-V57 HydrophobicContact SD-CG2 3.72Å
45	E	97.4	Very high	97.6	Very high	44 Å²	44	47.2 Å²	47.2	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-74.3	-51.4	-179.7	-169.7	173.7	-151.6	0	0	112	A41 Y43 K49 F51 T54 Y77 K82	A41-E45 WeakPolarHBondContact O-CB 3.44Å; A41-E45 PolarHBondContact O-N 3.48Å; Y43-E45 VanDerWaalsContact C-N 3.32Å; Y43-E45 PolarHBondContact O-N 3.24Å; E45-K49 WeakPolarHBondContact O-CA 3.27Å; E45-K49 WeakPolarHBondContact O-CD 3.47Å; E45-F51 HydrophobicContact CG-CD1 3.97Å; E45-F51 HydrophobicContact CG-CE1 3.82Å; E45-T54 WeakPolarHBondContact CA-OG1 3.34Å; E45-T54 HydrophobicContact CB-CG2 3.87Å; E45-T54 PolarHBondContact N-OG1 3.02Å; E45-T54 VanDerWaalsContact N-OG1 3.14Å; E45-Y77 WeakPolarHBondContact OE1-CE1 3.16Å; E45-Y77 PolarHBondContact OE1-OH 2.78Å; E45-K82 IonicContact OE1-NZ 3.26Å; E45-K82 PolarHBondContact OE1-NZ 3.19Å
46	G	95.7	Very high	97.7	Very high	41 Å²	41	46.6 Å²	46.6	42%	0.423	23%	0.234	S	C	.	.	H	α-helix	trans	-76.9	-47.6	-171.1	0	0	0	0	0	112.6	D42 K49	D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.11Å; G46-K49 WeakPolarHBondContact O-CE 3.24Å; G46-K49 PolarHBondContact O-NZ 2.97Å; G46-K49 VanDerWaalsContact O-NZ 3.07Å
47	V	94.9	Very high	97.7	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.418	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-50.9	-171.8	-176	0	0	0	0	111.1	L17 Y43	L17-V47 HydrophobicContact CB-CG1 4.44Å; L17-V47 HydrophobicContact CD1-CG1 4Å; L17-V47 HydrophobicContact CD2-CG1 4.34Å; Y43-V47 HydrophobicContact CD2-CB 3.81Å; Y43-V47 HydrophobicContact CD2-CG1 4.24Å; Y43-V47 HydrophobicContact CD2-CG2 3.79Å; Y43-V47 HydrophobicContact CE2-CB 3.89Å; Y43-V47 HydrophobicContact CE2-CG1 3.81Å; Y43-V47 HydrophobicContact CE2-CG2 4.2Å; Y43-V47 WeakPolarHBondContact O-CA 3.47Å; Y43-V47 VanDerWaalsContact O-CB 3.28Å; Y43-V47 WeakPolarHBondContact O-CB 3.48Å; Y43-V47 PolarHBondContact O-N 2.87Å
48	K	95.5	Very high	97.7	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	23%	0.234	S	C	.	.	S	Bend	trans	-84.6	-14.1	-177.1	-64.7	-66.8	175.2	-174.5	0	114.3	D18 Y43 M44 N50	D18-K48 WeakPolarHBondContact OD1-CE 3.5Å; D18-K48 IonicContact OD1-NZ 2.65Å; D18-K48 PolarHBondContact OD1-NZ 3.18Å; Y43-K48 HydrophobicContact CD1-CG 4.44Å; Y43-K48 HydrophobicContact CE1-CG 3.81Å; Y43-K48 PolarHBondContact O-N 2.9Å; Y43-K48 VanDerWaalsContact O-N 3.15Å; Y43-K48 WeakPolarHBondContact OH-CE 3.45Å; M44-K48 CarbonylContact O-C 3.51Å; M44-K48 WeakPolarHBondContact O-CB 3.16Å; M44-K48 PolarHBondContact O-N 3.31Å; K48-N50 HydrophobicContact CB-CB 4.2Å; K48-N50 PolarHBondContact O-N 3.34Å
49	K	96.2	Very high	97.7	Very high	133 Å²	133	49.5 Å²	49.5	58%	0.578	25%	0.246	S	C	*	.			trans	51.1	27.5	-172.5	-55.9	-67.2	175	-161.1	0	112.4	M44 E45 G46 F51	M44-K49 PolarHBondContact O-N 3.3Å; E45-K49 WeakPolarHBondContact O-CA 3.27Å; E45-K49 WeakPolarHBondContact O-CD 3.47Å; G46-K49 WeakPolarHBondContact O-CE 3.24Å; G46-K49 PolarHBondContact O-NZ 2.97Å; G46-K49 VanDerWaalsContact O-NZ 3.07Å; K49-F51 HydrophobicContact CB-CE2 4.5Å; K49-F51 HydrophobicContact CB-CZ 4.39Å; K49-F51 HydrophobicContact CD-CZ 4.27Å; K49-F51 WeakPolarHBondContact O-CD2 3.26Å; K49-F51 PolarHBondContact O-N 3.3Å
50	N	97.4	Very high	97.7	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.353	25%	0.245	S	C	.	.			trans	-94.5	86.1	-180	-176.8	-16.2	0	0	0	109	M44 K48 E52 S53 T54	M44-N50 PolarHBondContact O-N 2.96Å; K48-N50 HydrophobicContact CB-CB 4.2Å; K48-N50 PolarHBondContact O-N 3.34Å; N50-E52 VanDerWaalsContact C-N 3.34Å; N50-E52 PolarHBondContact O-N 3.34Å; N50-E52 PolarHBondContact OD1-N 2.91Å; N50-S53 PolarHBondContact ND2-OG 3.42Å; N50-S53 WeakPolarHBondContact OD1-CB 3.33Å; N50-S53 PolarHBondContact OD1-N 2.95Å; N50-S53 PolarHBondContact OD1-OG 3.28Å; N50-T54 WeakPolarHBondContact O-CB 3.38Å; N50-T54 PolarHBondContact O-N 3.09Å; N50-T54 PolarHBondContact O-OG1 3.4Å
51	F	98	Very high	97.7	Very high	76 Å²	76	48.3 Å²	48.3	33%	0.333	24%	0.244	S	C	.	.	H	α-helix	trans	-70.6	-28.9	-175.4	-54.8	-63.8	0	0	0	113.1	E45 K49 A55 Y77 K82 G83	E45-F51 HydrophobicContact CG-CD1 3.97Å; E45-F51 HydrophobicContact CG-CE1 3.82Å; K49-F51 HydrophobicContact CB-CE2 4.5Å; K49-F51 HydrophobicContact CB-CZ 4.39Å; K49-F51 HydrophobicContact CD-CZ 4.27Å; K49-F51 WeakPolarHBondContact O-CD2 3.26Å; K49-F51 PolarHBondContact O-N 3.3Å; F51-A55 WeakPolarHBondContact O-CB 3.41Å; F51-A55 PolarHBondContact O-N 3.1Å; F51-Y77 HydrophobicContact CB-CE2 4.5Å; F51-K82 HydrophobicContact CB-CG 4.46Å; F51-G83 WeakPolarHBondContact O-CA 3.38Å
52	E	98.4	Very high	97.7	Very high	125 Å²	125	48.6 Å²	48.6	58%	0.584	25%	0.246	S	C	*	.	H	α-helix	trans	-69.2	-51.1	178.5	-173.7	177.5	174.7	0	0	111.1	N50 T54 A55 Q56	N50-E52 VanDerWaalsContact C-N 3.34Å; N50-E52 PolarHBondContact O-N 3.34Å; N50-E52 PolarHBondContact OD1-N 2.91Å; E52-T54 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 3.43Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 2.88Å; E52-A55 VanDerWaalsContact O-N 3.16Å; E52-Q56 WeakPolarHBondContact O-CG 3.44Å; E52-Q56 PolarHBondContact O-N 3.41Å; E52-Q56 VanDerWaalsContact O-N 3.12Å
53	S	97.9	Very high	97.8	Very high	43 Å²	43	50.3 Å²	50.3	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-37.7	175.5	-57.1	0	0	0	0	111.7	M44 N50 A55 Q56 V57	M44-S53 VanDerWaalsContact SD-CB 3.51Å; N50-S53 PolarHBondContact ND2-OG 3.42Å; N50-S53 WeakPolarHBondContact OD1-CB 3.33Å; N50-S53 PolarHBondContact OD1-N 2.95Å; N50-S53 PolarHBondContact OD1-OG 3.28Å; S53-A55 VanDerWaalsContact C-N 3.31Å; S53-A55 PolarHBondContact O-N 3.46Å; S53-Q56 PolarHBondContact O-N 2.89Å; S53-V57 WeakPolarHBondContact O-CG2 3.31Å; S53-V57 PolarHBondContact O-N 2.97Å
54	T	98.7	Very high	97.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-54.3	-49.9	171.9	-57.6	0	0	0	0	110.9	A41 M44 E45 N50 E52 Q56 V57 L58 Y77	A41-T54 HydrophobicContact CB-CG2 4.23Å; M44-T54 VanDerWaalsContact CB-OG1 3.26Å; M44-T54 WeakPolarHBondContact CB-OG1 3.48Å; E45-T54 WeakPolarHBondContact CA-OG1 3.34Å; E45-T54 HydrophobicContact CB-CG2 3.87Å; E45-T54 PolarHBondContact N-OG1 3.02Å; E45-T54 VanDerWaalsContact N-OG1 3.14Å; N50-T54 WeakPolarHBondContact O-CB 3.38Å; N50-T54 PolarHBondContact O-N 3.09Å; N50-T54 PolarHBondContact O-OG1 3.4Å; E52-T54 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 3.43Å; T54-Q56 VanDerWaalsContact C-N 3.28Å; T54-Q56 PolarHBondContact O-N 2.77Å; T54-V57 PolarHBondContact O-N 3.35Å; T54-L58 HydrophobicContact CG2-CD1 3.76Å; T54-L58 HydrophobicContact CG2-CG 4.11Å; T54-L58 WeakPolarHBondContact O-CB 3.36Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 3.25Å; T54-Y77 HydrophobicContact CG2-CE2 4.35Å; T54-Y77 WeakPolarHBondContact CG2-OH 3.25Å
55	A	98.6	Very high	97.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-40.5	-178.6	0	0	0	0	0	111.9	F51 E52 S53 K59 Y77 G83 F85	F51-A55 WeakPolarHBondContact O-CB 3.41Å; F51-A55 PolarHBondContact O-N 3.1Å; E52-A55 WeakPolarHBondContact O-CB 3.34Å; E52-A55 PolarHBondContact O-N 2.88Å; E52-A55 VanDerWaalsContact O-N 3.16Å; S53-A55 VanDerWaalsContact C-N 3.31Å; S53-A55 PolarHBondContact O-N 3.46Å; A55-K59 VanDerWaalsContact O-CB 3.24Å; A55-K59 WeakPolarHBondContact O-CB 3.47Å; A55-K59 PolarHBondContact O-N 3.49Å; A55-Y77 HydrophobicContact CB-CD2 3.72Å; A55-Y77 HydrophobicContact CB-CE2 3.86Å; A55-G83 WeakPolarHBondContact CB-O 3.3Å; A55-F85 HydrophobicContact CB-CD2 4.1Å; A55-F85 HydrophobicContact CB-CE2 3.57Å; A55-F85 HydrophobicContact CB-CZ 4.01Å
56	Q	98.6	Very high	97.8	Very high	92 Å²	92	57.6 Å²	57.6	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-41.9	176.5	-61.3	-55.3	-31	0	0	112.6	E52 S53 T54 K59 H60	E52-Q56 WeakPolarHBondContact O-CG 3.44Å; E52-Q56 PolarHBondContact O-N 3.41Å; E52-Q56 VanDerWaalsContact O-N 3.12Å; S53-Q56 PolarHBondContact O-N 2.89Å; T54-Q56 VanDerWaalsContact C-N 3.28Å; T54-Q56 PolarHBondContact O-N 2.77Å; Q56-K59 PolarHBondContact O-N 3.31Å; Q56-H60 WeakPolarHBondContact O-CB 3.05Å; Q56-H60 PolarHBondContact O-N 3.3Å
57	V	98.8	Very high	97.9	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-46.4	175.8	179	0	0	0	0	110.7	Y29 C37 L40 A41 M44 S53 T54 K59 H60 N61	Y29-V57 WeakPolarHBondContact OH-CG2 3.33Å; C37-V57 HydrophobicContact CB-CG1 4.31Å; C37-V57 WeakPolarHBondContact O-CG1 3.36Å; L40-V57 HydrophobicContact CB-CG1 4.25Å; L40-V57 HydrophobicContact CD2-CG1 4.08Å; L40-V57 HydrophobicContact CD2-CG2 3.81Å; L40-V57 HydrophobicContact CG-CG1 4.31Å; L40-V57 HydrophobicContact CG-CG2 4.18Å; A41-V57 HydrophobicContact CB-CB 4.28Å; A41-V57 HydrophobicContact CB-CG1 3.97Å; M44-V57 HydrophobicContact CE-CG2 4.16Å; M44-V57 HydrophobicContact SD-CG2 3.72Å; S53-V57 WeakPolarHBondContact O-CG2 3.31Å; S53-V57 PolarHBondContact O-N 2.97Å; T54-V57 PolarHBondContact O-N 3.35Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 3.37Å; V57-H60 PolarHBondContact O-N 3.26Å; V57-N61 WeakPolarHBondContact O-CB 3.41Å; V57-N61 PolarHBondContact O-N 3.22Å
58	L	98.8	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-44.3	177.1	-69.5	173.7	0	0	0	111.4	A41 T54 N61 C62 K73 L74 Y77	A41-L58 HydrophobicContact CB-CD2 3.64Å; A41-L58 HydrophobicContact CB-CG 3.91Å; T54-L58 HydrophobicContact CG2-CD1 3.76Å; T54-L58 HydrophobicContact CG2-CG 4.11Å; T54-L58 WeakPolarHBondContact O-CB 3.36Å; T54-L58 VanDerWaalsContact O-CG 3.29Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 3.25Å; L58-N61 PolarHBondContact O-N 3.21Å; L58-C62 VanDerWaalsContact O-CB 3.22Å; L58-C62 WeakPolarHBondContact O-CB 3.33Å; L58-C62 PolarHBondContact O-N 3.49Å; L58-K73 HydrophobicContact CD1-CB 3.86Å; L58-K73 HydrophobicContact CD2-CB 3.96Å; L58-K73 HydrophobicContact CD2-CD 4.42Å; L58-L74 HydrophobicContact CB-CB 4.2Å; L58-L74 HydrophobicContact CB-CD1 4.34Å; L58-Y77 HydrophobicContact CD1-CE1 4.37Å
59	K	98.8	Very high	98.1	Very high	62 Å²	62	51.9 Å²	51.9	27%	0.27	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-51.9	175.7	-173	-178.6	177.2	-172.4	0	111.3	A55 Q56 V57 N61 C62 E63 L74 F85	A55-K59 VanDerWaalsContact O-CB 3.24Å; A55-K59 WeakPolarHBondContact O-CB 3.47Å; A55-K59 PolarHBondContact O-N 3.49Å; Q56-K59 PolarHBondContact O-N 3.31Å; V57-K59 VanDerWaalsContact C-N 3.33Å; V57-K59 PolarHBondContact O-N 3.37Å; K59-N61 VanDerWaalsContact C-N 3.33Å; K59-N61 PolarHBondContact O-N 3.1Å; K59-C62 PolarHBondContact O-N 3.18Å; K59-E63 VanDerWaalsContact CE-CD 3.4Å; K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 VanDerWaalsContact CE-OE2 3.3Å; K59-E63 WeakPolarHBondContact CE-OE2 3.46Å; K59-E63 HydrophobicContact CG-CG 4.23Å; K59-E63 WeakPolarHBondContact O-CB 3.01Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.09Å; K59-L74 HydrophobicContact CB-CD1 4.13Å; K59-L74 HydrophobicContact CB-CD2 4.19Å; K59-L74 HydrophobicContact CG-CD2 4.39Å; K59-F85 HydrophobicContact CB-CZ 4.46Å; K59-F85 HydrophobicContact CD-CZ 4.1Å
60	H	98.7	Very high	98.2	Very high	59 Å²	59	45.5 Å²	45.5	27%	0.273	22%	0.221	S	C	.	.	H	α-helix	trans	-55.7	-48.6	177.3	175.3	62	0	0	0	111.7	Y29 Q56 V57 E63 T64 Y65	Y29-H60 AromaticContact CE1-CD2 3.79Å; Q56-H60 WeakPolarHBondContact O-CB 3.05Å; Q56-H60 PolarHBondContact O-N 3.3Å; V57-H60 PolarHBondContact O-N 3.26Å; H60-E63 PolarHBondContact O-N 3.49Å; H60-T64 PolarHBondContact CE1-OG1 3.04Å; H60-T64 PolarHBondContact ND1-OG1 3.43Å; H60-T64 WeakPolarHBondContact O-CB 3.43Å; H60-T64 PolarHBondContact O-N 3.43Å; H60-T64 PolarHBondContact O-OG1 2.72Å; H60-Y65 AromaticContact NE2-CE2 3.81Å
61	N	98.6	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-41.1	-176.7	-159.7	15.6	0	0	0	112.5	P34 C37 Q38 V57 L58 K59 Y65 K66 H67 S70	P34-N61 WeakPolarHBondContact CA-OD1 3.01Å; P34-N61 PolarHBondContact O-ND2 3.04Å; C37-N61 HydrophobicContact CB-CB 3.8Å; C37-N61 WeakPolarHBondContact CB-ND2 3.5Å; Q38-N61 PolarHBondContact N-ND2 3.24Å; V57-N61 WeakPolarHBondContact O-CB 3.41Å; V57-N61 PolarHBondContact O-N 3.22Å; L58-N61 PolarHBondContact O-N 3.21Å; K59-N61 VanDerWaalsContact C-N 3.33Å; K59-N61 PolarHBondContact O-N 3.1Å; N61-Y65 WeakPolarHBondContact O-CB 3.22Å; N61-Y65 PolarHBondContact O-N 2.95Å; N61-Y65 WeakPolarHBondContact OD1-CD2 3.36Å; N61-K66 PolarHBondContact O-N 2.02Å; N61-H67 PolarHBondContact ND2-ND1 3.42Å; N61-H67 PolarHBondContact O-N 3.42Å; N61-H67 WeakPolarHBondContact OD1-CB 3.49Å; N61-S70 PolarHBondContact ND2-OG 2.94Å
62	C	98.6	Very high	98.3	Very high	6 Å²	6	41 Å²	41	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-47.5	175.9	-179	0	0	0	0	112	L58 K59 K66 C71 L74	L58-C62 VanDerWaalsContact O-CB 3.22Å; L58-C62 WeakPolarHBondContact O-CB 3.33Å; L58-C62 PolarHBondContact O-N 3.49Å; K59-C62 PolarHBondContact O-N 3.18Å; C62-K66 WeakPolarHBondContact O-CA 3.44Å; C62-K66 WeakPolarHBondContact O-CD 3.45Å; C62-K66 PolarHBondContact O-N 2.91Å; C62-K66 VanDerWaalsContact O-N 3.11Å; C62-C71 WeakPolarHBondContact CA-SG 3.14Å; C62-C71 HydrophobicContact CB-CB 3.95Å; C62-C71 WeakPolarHBondContact CB-SG 3.49Å; C62-C71 WeakPolarHBondContact SG-CA 3.45Å; C62-C71 WeakPolarHBondContact SG-CB 3Å; C62-C71 CovalentContact SG-SG 2.04Å; C62-C71 PolarHBondContact SG-SG 2.9Å; C62-L74 HydrophobicContact CB-CD2 3.86Å
63	E	98	Very high	98.3	Very high	92 Å²	92	37 Å²	37	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-72.2	-38.7	-174.9	-70.5	178.9	168.3	0	0	112.1	K59 H60 K66	K59-E63 VanDerWaalsContact CE-CD 3.4Å; K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 VanDerWaalsContact CE-OE2 3.3Å; K59-E63 WeakPolarHBondContact CE-OE2 3.46Å; K59-E63 HydrophobicContact CG-CG 4.23Å; K59-E63 WeakPolarHBondContact O-CB 3.01Å; K59-E63 WeakPolarHBondContact O-CG 3.44Å; K59-E63 PolarHBondContact O-N 3.09Å; H60-E63 PolarHBondContact O-N 3.49Å; E63-K66 PolarHBondContact O-NZ 3.01Å
64	T	98.1	Very high	98.4	Very high	78 Å²	78	35 Å²	35	48%	0.479	16%	0.164	S	C	.	.	H	α-helix	trans	-83.8	-51.1	-174.6	-50.3	0	0	0	0	112.1	H60	H60-T64 PolarHBondContact CE1-OG1 3.04Å; H60-T64 PolarHBondContact ND1-OG1 3.43Å; H60-T64 WeakPolarHBondContact O-CB 3.43Å; H60-T64 PolarHBondContact O-N 3.43Å; H60-T64 PolarHBondContact O-OG1 2.72Å
65	Y	97.8	Very high	98.4	Very high	68 Å²	68	34.9 Å²	34.9	27%	0.267	16%	0.164	S	C	.	.	H	α-helix	trans	-106.4	-3.2	-170.8	-55.2	-73.1	0	0	0	113.3	K32 P34 H60 N61 H67	K32-Y65 VanDerWaalsContact CA-OH 3.32Å; K32-Y65 WeakPolarHBondContact CA-OH 3.3Å; K32-Y65 HydrophobicContact CB-CE1 4.37Å; K32-Y65 WeakPolarHBondContact CB-OH 2.99Å; K32-Y65 WeakPolarHBondContact O-CE1 3.42Å; P34-Y65 HydrophobicContact CB-CD2 4.4Å; P34-Y65 HydrophobicContact CB-CG 4.13Å; P34-Y65 HydrophobicContact CG-CD1 3.81Å; P34-Y65 HydrophobicContact CG-CD2 4.27Å; P34-Y65 HydrophobicContact CG-CE1 4.46Å; P34-Y65 HydrophobicContact CG-CG 3.68Å; H60-Y65 AromaticContact NE2-CE2 3.81Å; N61-Y65 WeakPolarHBondContact O-CB 3.22Å; N61-Y65 PolarHBondContact O-N 2.95Å; N61-Y65 WeakPolarHBondContact OD1-CD2 3.36Å; Y65-H67 PolarHBondContact O-N 3.23Å; Y65-H67 VanDerWaalsContact O-N 3.15Å
66	K	98	Very high	98.4	Very high	108 Å²	108	36.1 Å²	36.1	47%	0.47	17%	0.173	S	C	.	.			trans	53.8	31.7	-174.1	-51	-58.7	178.3	-152.8	0	111.9	N61 C62 E63 G68 T98 S102	N61-K66 PolarHBondContact O-N 2.02Å; C62-K66 WeakPolarHBondContact O-CA 3.44Å; C62-K66 WeakPolarHBondContact O-CD 3.45Å; C62-K66 PolarHBondContact O-N 2.91Å; C62-K66 VanDerWaalsContact O-N 3.11Å; E63-K66 PolarHBondContact O-NZ 3.01Å; K66-G68 PolarHBondContact O-N 3.43Å; K66-T98 HydrophobicContact CB-CG2 4.05Å; K66-T98 HydrophobicContact CD-CG2 3.82Å; K66-T98 HydrophobicContact CG-CG2 4.46Å; K66-S102 WeakPolarHBondContact O-CB 3.27Å; K66-S102 PolarHBondContact O-OG 3.32Å
67	H	98	Very high	98.4	Very high	26 Å²	26	32 Å²	32	12%	0.12	15%	0.154	C	C	.	.			trans	-64.8	118.6	-176.2	-177.1	-103.4	0	0	0	110.8	P34 E35 N61 Y65 E69 S70 C71	P34-H67 HydrophobicContact CB-CB 4.31Å; E35-H67 IonicContact OE1-NE2 2.59Å; E35-H67 PolarHBondContact OE1-NE2 2.93Å; N61-H67 PolarHBondContact ND2-ND1 3.42Å; N61-H67 PolarHBondContact O-N 3.42Å; N61-H67 WeakPolarHBondContact OD1-CB 3.49Å; Y65-H67 PolarHBondContact O-N 3.23Å; Y65-H67 VanDerWaalsContact O-N 3.15Å; H67-E69 PolarHBondContact O-N 3.05Å; H67-S70 PolarHBondContact ND1-N 2.9Å; H67-S70 PolarHBondContact ND1-OG 3.2Å; H67-S70 PolarHBondContact O-N 3.01Å; H67-C71 PolarHBondContact O-N 3.32Å; H67-C71 PolarHBondContact O-SG 3.02Å; H67-C71 VanDerWaalsContact O-SG 3.4Å
68	G	97.8	Very high	98.4	Very high	7 Å²	7	32.6 Å²	32.6	7%	0.072	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-45.1	-165.9	0	0	0	0	0	114.2	K66 C71 Y72 A99	K66-G68 PolarHBondContact O-N 3.43Å; G68-C71 PolarHBondContact O-N 2.99Å; G68-Y72 WeakPolarHBondContact O-CB 3.48Å; G68-Y72 PolarHBondContact O-N 2.9Å; G68-A99 WeakPolarHBondContact O-CB 3.42Å
69	E	97.5	Very high	98.3	Very high	45 Å²	45	35.4 Å²	35.4	21%	0.21	17%	0.171	C	C	.	.	H	α-helix	trans	-69.7	-36.5	179.5	-175	166.9	167.5	0	0	112	H67 Y72 K73 K106	H67-E69 PolarHBondContact O-N 3.05Å; E69-Y72 PolarHBondContact O-N 3.25Å; E69-K73 HydrophobicContact CG-CD 4.49Å; E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 3.49Å; E69-K73 WeakPolarHBondContact OE1-CE 3.13Å; E69-K73 IonicContact OE1-NZ 3.82Å; E69-K73 PolarHBondContact OE1-NZ 2.91Å; E69-K106 HydrophobicContact CG-CG 4.27Å
70	S	98.3	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-42.7	176.3	-59.4	0	0	0	0	111.4	Q38 N61 H67 Y72 K73 L74	Q38-S70 PolarHBondContact OE1-OG 3.36Å; N61-S70 PolarHBondContact ND2-OG 2.94Å; H67-S70 PolarHBondContact ND1-N 2.9Å; H67-S70 PolarHBondContact ND1-OG 3.2Å; H67-S70 PolarHBondContact O-N 3.01Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.41Å; S70-K73 PolarHBondContact O-N 3.13Å; S70-L74 WeakPolarHBondContact O-CB 3.44Å; S70-L74 PolarHBondContact O-N 3.1Å
71	C	98.8	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-41.9	173.2	-71	0	0	0	0	111.7	C62 H67 G68 L74 G75 C95 T98 A99	C62-C71 WeakPolarHBondContact CA-SG 3.14Å; C62-C71 HydrophobicContact CB-CB 3.95Å; C62-C71 WeakPolarHBondContact CB-SG 3.49Å; C62-C71 WeakPolarHBondContact SG-CA 3.45Å; C62-C71 WeakPolarHBondContact SG-CB 3Å; C62-C71 CovalentContact SG-SG 2.04Å; C62-C71 PolarHBondContact SG-SG 2.9Å; H67-C71 PolarHBondContact O-N 3.32Å; H67-C71 PolarHBondContact O-SG 3.02Å; H67-C71 VanDerWaalsContact O-SG 3.4Å; G68-C71 PolarHBondContact O-N 2.99Å; C71-L74 PolarHBondContact O-N 2.9Å; C71-G75 PolarHBondContact O-N 3.29Å; C71-C95 WeakPolarHBondContact O-CB 3.13Å; C71-T98 HydrophobicContact CB-CG2 4.47Å; C71-T98 VanDerWaalsContact SG-CG2 3.51Å; C71-A99 HydrophobicContact CB-CB 3.83Å
72	Y	98.8	Very high	98.1	Very high	46 Å²	46	39.1 Å²	39.1	18%	0.18	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-49.5	176.3	178.4	-93.9	0	0	0	111.9	G68 E69 S70 G75 A76 F96 K106 D109 A110 N113	G68-Y72 WeakPolarHBondContact O-CB 3.48Å; G68-Y72 PolarHBondContact O-N 2.9Å; E69-Y72 PolarHBondContact O-N 3.25Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.41Å; Y72-G75 PolarHBondContact O-N 2.87Å; Y72-A76 PolarHBondContact O-N 2.96Å; Y72-A76 VanDerWaalsContact O-N 3.1Å; Y72-F96 AromaticContact CD2-CD1 3.92Å; Y72-F96 HydrophobicContact CD2-CD1 3.92Å; Y72-F96 AromaticContact CD2-CE1 3.85Å; Y72-F96 HydrophobicContact CD2-CE1 3.85Å; Y72-F96 HydrophobicContact CE2-CD1 4.38Å; Y72-F96 HydrophobicContact CE2-CE1 4.05Å; Y72-F96 HydrophobicContact CG-CE1 4.45Å; Y72-F96 WeakPolarHBondContact O-CE1 3.12Å; Y72-K106 HydrophobicContact CD1-CB 3.96Å; Y72-K106 HydrophobicContact CD1-CD 4.16Å; Y72-K106 HydrophobicContact CD1-CG 3.89Å; Y72-K106 HydrophobicContact CD2-CB 4.12Å; Y72-K106 HydrophobicContact CE1-CD 4.06Å; Y72-K106 HydrophobicContact CE1-CG 4.31Å; Y72-K106 HydrophobicContact CG-CB 3.71Å; Y72-K106 HydrophobicContact CG-CG 4.19Å; Y72-D109 HydrophobicContact CD2-CB 4.41Å; Y72-D109 HydrophobicContact CE2-CB 3.59Å; Y72-A110 HydrophobicContact CD2-CB 3.87Å; Y72-N113 WeakPolarHBondContact CE2-ND2 3.47Å
73	K	98.4	Very high	98	Very high	41 Å²	41	39.3 Å²	39.3	18%	0.178	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-40.4	178.9	-70.4	-176.7	-169.6	176	0	112.1	Q38 D42 L58 E69 S70 G75 A76 Y77	Q38-K73 VanDerWaalsContact NE2-NZ 3.1Å; D42-K73 IonicContact OD1-NZ 3.43Å; D42-K73 PolarHBondContact OD1-NZ 3.37Å; D42-K73 IonicContact OD2-NZ 2.79Å; D42-K73 PolarHBondContact OD2-NZ 3.42Å; L58-K73 HydrophobicContact CD1-CB 3.86Å; L58-K73 HydrophobicContact CD2-CB 3.96Å; L58-K73 HydrophobicContact CD2-CD 4.42Å; E69-K73 HydrophobicContact CG-CD 4.49Å; E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 3.49Å; E69-K73 WeakPolarHBondContact OE1-CE 3.13Å; E69-K73 IonicContact OE1-NZ 3.82Å; E69-K73 PolarHBondContact OE1-NZ 2.91Å; S70-K73 PolarHBondContact O-N 3.13Å; K73-G75 VanDerWaalsContact C-N 3.32Å; K73-G75 PolarHBondContact O-N 3.4Å; K73-A76 WeakPolarHBondContact O-CB 3.4Å; K73-A76 PolarHBondContact O-N 3.33Å; K73-Y77 WeakPolarHBondContact O-CD1 3.43Å; K73-Y77 PolarHBondContact O-N 3.2Å
74	L	98.7	Very high	97.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-41.9	174.1	-177.1	64.3	0	0	0	111.8	L58 K59 C62 S70 C71 A76 Y77 Y78 F85	L58-L74 HydrophobicContact CB-CB 4.2Å; L58-L74 HydrophobicContact CB-CD1 4.34Å; K59-L74 HydrophobicContact CB-CD1 4.13Å; K59-L74 HydrophobicContact CB-CD2 4.19Å; K59-L74 HydrophobicContact CG-CD2 4.39Å; C62-L74 HydrophobicContact CB-CD2 3.86Å; S70-L74 WeakPolarHBondContact O-CB 3.44Å; S70-L74 PolarHBondContact O-N 3.1Å; C71-L74 PolarHBondContact O-N 2.9Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 2.77Å; L74-Y77 WeakPolarHBondContact O-CB 3.27Å; L74-Y77 PolarHBondContact O-N 3.2Å; L74-Y77 VanDerWaalsContact O-N 3.15Å; L74-Y78 HydrophobicContact CD1-CD2 4.35Å; L74-Y78 HydrophobicContact CD1-CE2 3.85Å; L74-Y78 HydrophobicContact CD2-CE2 4.15Å; L74-Y78 HydrophobicContact CG-CD2 4.05Å; L74-Y78 HydrophobicContact CG-CE2 3.71Å; L74-Y78 WeakPolarHBondContact O-CD2 3.44Å; L74-Y78 PolarHBondContact O-N 3.42Å; L74-F85 HydrophobicContact CD1-CD2 4.33Å; L74-F85 HydrophobicContact CD1-CE2 3.58Å; L74-F85 HydrophobicContact CD1-CZ 4.44Å
75	G	98.5	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-45.6	174	0	0	0	0	0	111.9	C71 Y72 K73 Y77 Y78 I79 A92	C71-G75 PolarHBondContact O-N 3.29Å; Y72-G75 PolarHBondContact O-N 2.87Å; K73-G75 VanDerWaalsContact C-N 3.32Å; K73-G75 PolarHBondContact O-N 3.4Å; G75-Y77 VanDerWaalsContact C-N 3.33Å; G75-Y77 PolarHBondContact O-N 2.97Å; G75-Y78 PolarHBondContact O-N 2.91Å; G75-I79 WeakPolarHBondContact O-CG1 3.46Å; G75-I79 PolarHBondContact O-N 3.46Å; G75-A92 WeakPolarHBondContact O-CB 3.26Å
76	A	98.4	Very high	97.8	Very high	25 Å²	25	36.8 Å²	36.8	21%	0.207	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-36.8	175.1	0	0	0	0	0	113.1	Y72 K73 L74 Y78 I79 Q80	Y72-A76 PolarHBondContact O-N 2.96Å; Y72-A76 VanDerWaalsContact O-N 3.1Å; K73-A76 WeakPolarHBondContact O-CB 3.4Å; K73-A76 PolarHBondContact O-N 3.33Å; L74-A76 VanDerWaalsContact C-N 3.32Å; L74-A76 PolarHBondContact O-N 2.77Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; A76-I79 PolarHBondContact O-N 3.02Å; A76-Q80 WeakPolarHBondContact O-CG 3.33Å; A76-Q80 PolarHBondContact O-N 2.94Å; A76-Q80 VanDerWaalsContact O-N 3.08Å
77	Y	98.6	Very high	97.8	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-40.9	173.7	-90.1	44.9	0	0	0	112	E45 F51 T54 A55 L58 K73 L74 G75 Q80 G81 K82	E45-Y77 WeakPolarHBondContact OE1-CE1 3.16Å; E45-Y77 PolarHBondContact OE1-OH 2.78Å; F51-Y77 HydrophobicContact CB-CE2 4.5Å; T54-Y77 HydrophobicContact CG2-CE2 4.35Å; T54-Y77 WeakPolarHBondContact CG2-OH 3.25Å; A55-Y77 HydrophobicContact CB-CD2 3.72Å; A55-Y77 HydrophobicContact CB-CE2 3.86Å; L58-Y77 HydrophobicContact CD1-CE1 4.37Å; K73-Y77 WeakPolarHBondContact O-CD1 3.43Å; K73-Y77 PolarHBondContact O-N 3.2Å; L74-Y77 WeakPolarHBondContact O-CB 3.27Å; L74-Y77 PolarHBondContact O-N 3.2Å; L74-Y77 VanDerWaalsContact O-N 3.15Å; G75-Y77 VanDerWaalsContact C-N 3.33Å; G75-Y77 PolarHBondContact O-N 2.97Å; Y77-Q80 PolarHBondContact O-N 3.38Å; Y77-G81 PolarHBondContact O-N 2.86Å; Y77-K82 HydrophobicContact CD1-CB 4.4Å; Y77-K82 HydrophobicContact CD1-CD 4Å; Y77-K82 HydrophobicContact CD1-CG 4.44Å; Y77-K82 HydrophobicContact CD2-CB 4.07Å; Y77-K82 HydrophobicContact CD2-CD 4.47Å; Y77-K82 HydrophobicContact CD2-CG 4.12Å; Y77-K82 WeakPolarHBondContact CD2-O 3.17Å; Y77-K82 HydrophobicContact CE1-CD 3.64Å; Y77-K82 HydrophobicContact CE1-CG 4.31Å; Y77-K82 HydrophobicContact CE2-CB 4.46Å; Y77-K82 HydrophobicContact CE2-CD 4.18Å; Y77-K82 HydrophobicContact CE2-CG 3.99Å; Y77-K82 HydrophobicContact CG-CB 4.03Å; Y77-K82 HydrophobicContact CG-CD 4.39Å; Y77-K82 HydrophobicContact CG-CG 4.34Å; Y77-K82 PolarHBondContact O-N 2.97Å
78	Y	98.7	Very high	97.8	Very high	15 Å²	15	40.3 Å²	40.3	6%	0.059	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-32	174.2	-76.7	-55.1	0	0	0	113.4	L74 G75 A76 Q80 F85 E87 N88 M91	L74-Y78 HydrophobicContact CD1-CD2 4.35Å; L74-Y78 HydrophobicContact CD1-CE2 3.85Å; L74-Y78 HydrophobicContact CD2-CE2 4.15Å; L74-Y78 HydrophobicContact CG-CD2 4.05Å; L74-Y78 HydrophobicContact CG-CE2 3.71Å; L74-Y78 WeakPolarHBondContact O-CD2 3.44Å; L74-Y78 PolarHBondContact O-N 3.42Å; G75-Y78 PolarHBondContact O-N 2.91Å; A76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-Q80 VanDerWaalsContact C-N 3.31Å; Y78-F85 HydrophobicContact CD1-CB 3.97Å; Y78-F85 HydrophobicContact CD1-CD2 4.14Å; Y78-F85 HydrophobicContact CD1-CG 4.16Å; Y78-F85 HydrophobicContact CE1-CB 3.84Å; Y78-F85 HydrophobicContact CE1-CD1 4.1Å; Y78-F85 AromaticContact CE1-CD2 3.67Å; Y78-F85 HydrophobicContact CE1-CD2 3.67Å; Y78-F85 HydrophobicContact CE1-CE2 4.22Å; Y78-F85 AromaticContact CE1-CG 3.6Å; Y78-F85 HydrophobicContact CE1-CG 3.6Å; Y78-F85 AromaticContact CZ-CD2 3.97Å; Y78-E87 CarbonylContact O-C 3.54Å; Y78-E87 VanDerWaalsContact O-CA 3.26Å; Y78-E87 WeakPolarHBondContact O-CA 3.41Å; Y78-N88 HydrophobicContact CD1-CB 4.14Å; Y78-N88 PolarHBondContact O-N 3.4Å; Y78-M91 HydrophobicContact CD1-CB 4.02Å; Y78-M91 HydrophobicContact CD2-CB 3.64Å; Y78-M91 HydrophobicContact CE1-CB 4.18Å; Y78-M91 HydrophobicContact CE1-CG 4.49Å; Y78-M91 HydrophobicContact CE2-CB 3.79Å; Y78-M91 HydrophobicContact CE2-CE 4.09Å; Y78-M91 HydrophobicContact CG-CB 3.77Å
79	I	98.1	Very high	97.8	Very high	58 Å²	58	41.7 Å²	41.7	30%	0.297	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-39.5	172	-65.3	-60.4	0	0	0	111	G75 A76 L89 A92 F96 L117	G75-I79 WeakPolarHBondContact O-CG1 3.46Å; G75-I79 PolarHBondContact O-N 3.46Å; A76-I79 PolarHBondContact O-N 3.02Å; I79-L89 HydrophobicContact CD1-CD2 3.34Å; I79-A92 HydrophobicContact CD1-CB 3.43Å; I79-A92 VanDerWaalsContact CD1-CB 3.43Å; I79-A92 HydrophobicContact CG1-CB 3.74Å; I79-F96 HydrophobicContact CD1-CE2 4.37Å; I79-F96 HydrophobicContact CG1-CE2 4.05Å; I79-F96 HydrophobicContact CG1-CZ 4.3Å; I79-L117 HydrophobicContact CD1-CD1 4.43Å; I79-L117 HydrophobicContact CD1-CD2 4.28Å
80	Q	97.5	Very high	97.8	Very high	120 Å²	120	45.3 Å²	45.3	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-94.2	-7	-172.3	-65.1	172.9	35.9	0	0	114.5	A76 Y77 Y78 K82	A76-Q80 WeakPolarHBondContact O-CG 3.33Å; A76-Q80 PolarHBondContact O-N 2.94Å; A76-Q80 VanDerWaalsContact O-N 3.08Å; Y77-Q80 PolarHBondContact O-N 3.38Å; Y78-Q80 VanDerWaalsContact C-N 3.31Å; Q80-K82 VanDerWaalsContact C-N 3.31Å; Q80-K82 HydrophobicContact CB-CB 4.21Å; Q80-K82 PolarHBondContact O-N 3.09Å
81	G	97.3	Very high	97.8	Very high	29 Å²	29	48.4 Å²	48.4	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	40.9	-170.6	0	0	0	0	0	112.6	Y77 F85	Y77-G81 PolarHBondContact O-N 2.86Å; G81-F85 CarbonylContact C-O 3.58Å; G81-F85 WeakPolarHBondContact CA-O 3.31Å
82	K	97.2	Very high	97.8	Very high	50 Å²	50	48.4 Å²	48.4	22%	0.217	27%	0.274	C	S	.	.			trans	-97.9	149.9	-173.5	-173.2	178.3	175.6	-169.2	0	111.8	E45 F51 Y77 Q80	E45-K82 IonicContact OE1-NZ 3.26Å; E45-K82 PolarHBondContact OE1-NZ 3.19Å; F51-K82 HydrophobicContact CB-CG 4.46Å; Y77-K82 HydrophobicContact CD1-CB 4.4Å; Y77-K82 HydrophobicContact CD1-CD 4Å; Y77-K82 HydrophobicContact CD1-CG 4.44Å; Y77-K82 HydrophobicContact CD2-CB 4.07Å; Y77-K82 HydrophobicContact CD2-CD 4.47Å; Y77-K82 HydrophobicContact CD2-CG 4.12Å; Y77-K82 WeakPolarHBondContact CD2-O 3.17Å; Y77-K82 HydrophobicContact CE1-CD 3.64Å; Y77-K82 HydrophobicContact CE1-CG 4.31Å; Y77-K82 HydrophobicContact CE2-CB 4.46Å; Y77-K82 HydrophobicContact CE2-CD 4.18Å; Y77-K82 HydrophobicContact CE2-CG 3.99Å; Y77-K82 HydrophobicContact CG-CB 4.03Å; Y77-K82 HydrophobicContact CG-CD 4.39Å; Y77-K82 HydrophobicContact CG-CG 4.34Å; Y77-K82 PolarHBondContact O-N 2.97Å; Q80-K82 VanDerWaalsContact C-N 3.31Å; Q80-K82 HydrophobicContact CB-CB 4.21Å; Q80-K82 PolarHBondContact O-N 3.09Å
83	G	95.8	Very high	97.8	Very high	11 Å²	11	48.1 Å²	48.1	11%	0.113	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	35.5	170.6	0	0	0	0	0	114.1	F51 A55 F85	F51-G83 WeakPolarHBondContact O-CA 3.38Å; A55-G83 WeakPolarHBondContact CB-O 3.3Å; G83-F85 VanDerWaalsContact C-N 3.28Å; G83-F85 PolarHBondContact O-N 3.29Å
84	G	96.2	Very high	97.8	Very high	74 Å²	74	49.2 Å²	49.2	76%	0.763	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-0.3	-179.7	0	0	0	0	0	114.4
85	F	96.1	Very high	97.8	Very high	31 Å²	31	49.5 Å²	49.5	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-89.1	143.6	171.2	-62	-36.8	0	0	0	111.6	A55 K59 L74 Y78 G81 G83	A55-F85 HydrophobicContact CB-CD2 4.1Å; A55-F85 HydrophobicContact CB-CE2 3.57Å; A55-F85 HydrophobicContact CB-CZ 4.01Å; K59-F85 HydrophobicContact CB-CZ 4.46Å; K59-F85 HydrophobicContact CD-CZ 4.1Å; L74-F85 HydrophobicContact CD1-CD2 4.33Å; L74-F85 HydrophobicContact CD1-CE2 3.58Å; L74-F85 HydrophobicContact CD1-CZ 4.44Å; Y78-F85 HydrophobicContact CD1-CB 3.97Å; Y78-F85 HydrophobicContact CD1-CD2 4.14Å; Y78-F85 HydrophobicContact CD1-CG 4.16Å; Y78-F85 HydrophobicContact CE1-CB 3.84Å; Y78-F85 HydrophobicContact CE1-CD1 4.1Å; Y78-F85 AromaticContact CE1-CD2 3.67Å; Y78-F85 HydrophobicContact CE1-CD2 3.67Å; Y78-F85 HydrophobicContact CE1-CE2 4.22Å; Y78-F85 AromaticContact CE1-CG 3.6Å; Y78-F85 HydrophobicContact CE1-CG 3.6Å; Y78-F85 AromaticContact CZ-CD2 3.97Å; G81-F85 CarbonylContact C-O 3.58Å; G81-F85 WeakPolarHBondContact CA-O 3.31Å; G83-F85 VanDerWaalsContact C-N 3.28Å; G83-F85 PolarHBondContact O-N 3.29Å
86	A	97.4	Very high	97.8	Very high	79 Å²	79	49.8 Å²	49.8	65%	0.653	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-74.1	155.5	164.1	0	0	0	0	0	110.3	N88	A86-N88 PolarHBondContact O-N 3.15Å
87	E	97.8	Very high	97.8	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-55.7	128.5	170.9	-71.1	-175.8	-172.6	0	0	110.5	Y78	Y78-E87 CarbonylContact O-C 3.54Å; Y78-E87 VanDerWaalsContact O-CA 3.26Å; Y78-E87 WeakPolarHBondContact O-CA 3.41Å
88	N	98.1	Very high	97.8	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	30%	0.299	S	S	.	.			trans	-152.6	94.2	-177.7	-166.2	-42.9	0	0	0	111.9	Y78 A86 K90 M91 A92	Y78-N88 HydrophobicContact CD1-CB 4.14Å; Y78-N88 PolarHBondContact O-N 3.4Å; A86-N88 PolarHBondContact O-N 3.15Å; N88-K90 VanDerWaalsContact C-N 3.28Å; N88-K90 PolarHBondContact O-N 2.8Å; N88-K90 PolarHBondContact OD1-N 3.05Å; N88-M91 HydrophobicContact CB-CB 4.08Å; N88-M91 HydrophobicContact CB-CG 4.17Å; N88-M91 VanDerWaalsContact CG-CG 3.49Å; N88-M91 PolarHBondContact O-N 3.44Å; N88-M91 WeakPolarHBondContact OD1-CG 3.36Å; N88-M91 PolarHBondContact OD1-N 3.32Å; N88-A92 PolarHBondContact O-N 2.88Å
89	L	98.1	Very high	97.8	Very high	37 Å²	37	51.6 Å²	51.6	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-31.4	-178.7	-58.6	-175.8	0	0	0	113.2	I79 A92 Y93 L117 R122 A123	I79-L89 HydrophobicContact CD1-CD2 3.34Å; L89-A92 PolarHBondContact O-N 3.48Å; L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.45Å; L89-L117 HydrophobicContact CD2-CD2 4.41Å; L89-R122 HydrophobicContact CD1-CB 3.6Å; L89-A123 HydrophobicContact CB-CB 3.93Å
90	K	98	Very high	97.8	Very high	121 Å²	121	49.4 Å²	49.4	53%	0.526	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-43.3	178.4	-172.7	174.3	-176	174.2	0	111.2	N88 S94 E125	N88-K90 VanDerWaalsContact C-N 3.28Å; N88-K90 PolarHBondContact O-N 2.8Å; N88-K90 PolarHBondContact OD1-N 3.05Å; K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 VanDerWaalsContact O-N 3.11Å; K90-E125 IonicContact NZ-OE1 2.73Å; K90-E125 PolarHBondContact NZ-OE1 2.93Å
91	M	98.2	Very high	97.8	Very high	65 Å²	65	48.2 Å²	48.2	32%	0.32	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-42.4	173.9	-68.2	-62.3	-67.2	0	0	111.3	Y78 N88 Y93 S94 C95	Y78-M91 HydrophobicContact CD1-CB 4.02Å; Y78-M91 HydrophobicContact CD2-CB 3.64Å; Y78-M91 HydrophobicContact CE1-CB 4.18Å; Y78-M91 HydrophobicContact CE1-CG 4.49Å; Y78-M91 HydrophobicContact CE2-CB 3.79Å; Y78-M91 HydrophobicContact CE2-CE 4.09Å; Y78-M91 HydrophobicContact CG-CB 3.77Å; N88-M91 HydrophobicContact CB-CB 4.08Å; N88-M91 HydrophobicContact CB-CG 4.17Å; N88-M91 VanDerWaalsContact CG-CG 3.49Å; N88-M91 PolarHBondContact O-N 3.44Å; N88-M91 WeakPolarHBondContact OD1-CG 3.36Å; N88-M91 PolarHBondContact OD1-N 3.32Å; M91-Y93 VanDerWaalsContact C-N 3.34Å; M91-Y93 PolarHBondContact O-N 3.21Å; M91-S94 PolarHBondContact O-N 3.42Å; M91-C95 PolarHBondContact O-N 2.75Å; M91-C95 PolarHBondContact O-SG 3.18Å
92	A	98.6	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-46.5	175.1	0	0	0	0	0	112	G75 I79 N88 L89 S94 C95 F96	G75-A92 WeakPolarHBondContact O-CB 3.26Å; I79-A92 HydrophobicContact CD1-CB 3.43Å; I79-A92 VanDerWaalsContact CD1-CB 3.43Å; I79-A92 HydrophobicContact CG1-CB 3.74Å; N88-A92 PolarHBondContact O-N 2.88Å; L89-A92 PolarHBondContact O-N 3.48Å; A92-S94 PolarHBondContact O-N 2.87Å; A92-C95 WeakPolarHBondContact O-CB 3.41Å; A92-C95 PolarHBondContact O-N 3.49Å; A92-F96 HydrophobicContact CB-CD2 4.47Å; A92-F96 HydrophobicContact CB-CE2 4.09Å; A92-F96 WeakPolarHBondContact O-CD2 3.38Å; A92-F96 WeakPolarHBondContact O-CG 3.26Å; A92-F96 PolarHBondContact O-N 3.09Å
93	Y	98.6	Very high	97.3	Very high	40 Å²	40	48.3 Å²	48.3	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-48.3	175.6	-178.9	-99.5	0	0	0	112.1	L89 M91 C95 F96 M97 V114 L117 A118 A123 V132	L89-Y93 VanDerWaalsContact O-CB 3.3Å; L89-Y93 WeakPolarHBondContact O-CB 3.35Å; L89-Y93 PolarHBondContact O-N 3.45Å; M91-Y93 VanDerWaalsContact C-N 3.34Å; M91-Y93 PolarHBondContact O-N 3.21Å; Y93-C95 VanDerWaalsContact C-N 3.31Å; Y93-C95 PolarHBondContact O-N 3.24Å; Y93-F96 PolarHBondContact O-N 3.27Å; Y93-M97 HydrophobicContact CD1-CG 4.06Å; Y93-M97 HydrophobicContact CE1-CG 3.72Å; Y93-M97 HydrophobicContact CE1-SD 4.23Å; Y93-M97 HydrophobicContact CE2-CG 4.37Å; Y93-M97 HydrophobicContact CE2-SD 4.49Å; Y93-M97 WeakPolarHBondContact O-CB 3.28Å; Y93-M97 VanDerWaalsContact O-CG 3.23Å; Y93-M97 WeakPolarHBondContact O-CG 3.44Å; Y93-M97 PolarHBondContact O-N 3.35Å; Y93-V114 HydrophobicContact CD2-CG1 4.48Å; Y93-V114 HydrophobicContact CE2-CB 4.45Å; Y93-V114 HydrophobicContact CE2-CG1 3.65Å; Y93-L117 HydrophobicContact CD2-CB 3.8Å; Y93-L117 HydrophobicContact CD2-CD1 4.17Å; Y93-A118 HydrophobicContact CE2-CB 4.42Å; Y93-A123 HydrophobicContact CD2-CB 4.5Å; Y93-A123 HydrophobicContact CG-CB 4.35Å; Y93-V132 WeakPolarHBondContact OH-CG1 3.38Å
94	S	98.3	Very high	97	Very high	64 Å²	64	51 Å²	51	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-41	176.6	-175.4	0	0	0	0	112.6	K90 M91 A92 M97 T98	K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 VanDerWaalsContact O-N 3.11Å; M91-S94 PolarHBondContact O-N 3.42Å; A92-S94 PolarHBondContact O-N 2.87Å; S94-M97 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-N 3.31Å; S94-T98 PolarHBondContact O-OG1 3.09Å
95	C	98.7	Very high	96.8	Very high	7 Å²	7	56.3 Å²	56.3	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-45.3	176.6	-65.5	0	0	0	0	111.7	C71 M91 A92 Y93 T98 A99	C71-C95 WeakPolarHBondContact O-CB 3.13Å; M91-C95 PolarHBondContact O-N 2.75Å; M91-C95 PolarHBondContact O-SG 3.18Å; A92-C95 WeakPolarHBondContact O-CB 3.41Å; A92-C95 PolarHBondContact O-N 3.49Å; Y93-C95 VanDerWaalsContact C-N 3.31Å; Y93-C95 PolarHBondContact O-N 3.24Å; C95-T98 PolarHBondContact O-N 3.37Å; C95-A99 WeakPolarHBondContact O-CB 3.32Å; C95-A99 PolarHBondContact O-N 2.94Å
96	F	98.8	Very high	96.8	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-36.2	177.5	-64.4	-46	0	0	0	112.9	Y72 I79 A92 Y93 T98 A99 C100 N113 V114 L117	Y72-F96 AromaticContact CD2-CD1 3.92Å; Y72-F96 HydrophobicContact CD2-CD1 3.92Å; Y72-F96 AromaticContact CD2-CE1 3.85Å; Y72-F96 HydrophobicContact CD2-CE1 3.85Å; Y72-F96 HydrophobicContact CE2-CD1 4.38Å; Y72-F96 HydrophobicContact CE2-CE1 4.05Å; Y72-F96 HydrophobicContact CG-CE1 4.45Å; Y72-F96 WeakPolarHBondContact O-CE1 3.12Å; I79-F96 HydrophobicContact CD1-CE2 4.37Å; I79-F96 HydrophobicContact CG1-CE2 4.05Å; I79-F96 HydrophobicContact CG1-CZ 4.3Å; A92-F96 HydrophobicContact CB-CD2 4.47Å; A92-F96 HydrophobicContact CB-CE2 4.09Å; A92-F96 WeakPolarHBondContact O-CD2 3.38Å; A92-F96 WeakPolarHBondContact O-CG 3.26Å; A92-F96 PolarHBondContact O-N 3.09Å; Y93-F96 PolarHBondContact O-N 3.27Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.42Å; F96-A99 PolarHBondContact O-N 3.1Å; F96-C100 VanDerWaalsContact O-CB 3.28Å; F96-C100 WeakPolarHBondContact O-CB 3.3Å; F96-C100 PolarHBondContact O-N 3.41Å; F96-N113 HydrophobicContact CB-CB 4.31Å; F96-N113 HydrophobicContact CD1-CB 4.05Å; F96-N113 HydrophobicContact CD2-CB 3.61Å; F96-N113 HydrophobicContact CE1-CB 4.24Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.38Å; F96-N113 HydrophobicContact CE2-CB 3.82Å; F96-N113 HydrophobicContact CG-CB 3.74Å; F96-N113 HydrophobicContact CZ-CB 4.14Å; F96-V114 VanDerWaalsContact C-CG2 3.49Å; F96-V114 HydrophobicContact CB-CG2 3.7Å; F96-L117 HydrophobicContact CD2-CD1 3.84Å; F96-L117 HydrophobicContact CE2-CD1 4.14Å
97	M	98.4	Very high	96.8	Very high	55 Å²	55	55.2 Å²	55.2	27%	0.271	31%	0.31	S	S	.	.	H	α-helix	trans	-58	-48.2	171.8	-75.6	-74.1	-70.4	0	0	110.8	Y93 S94 C100 S101 V114 Y136	Y93-M97 HydrophobicContact CD1-CG 4.06Å; Y93-M97 HydrophobicContact CE1-CG 3.72Å; Y93-M97 HydrophobicContact CE1-SD 4.23Å; Y93-M97 HydrophobicContact CE2-CG 4.37Å; Y93-M97 HydrophobicContact CE2-SD 4.49Å; Y93-M97 WeakPolarHBondContact O-CB 3.28Å; Y93-M97 VanDerWaalsContact O-CG 3.23Å; Y93-M97 WeakPolarHBondContact O-CG 3.44Å; Y93-M97 PolarHBondContact O-N 3.35Å; S94-M97 PolarHBondContact O-N 3.29Å; M97-C100 PolarHBondContact O-N 3.1Å; M97-S101 PolarHBondContact O-N 3.44Å; M97-S101 VanDerWaalsContact O-N 3.1Å; M97-S101 PolarHBondContact O-OG 2.99Å; M97-V114 HydrophobicContact CB-CG2 4.44Å; M97-V114 HydrophobicContact CG-CG1 4.24Å; M97-V114 HydrophobicContact CG-CG2 3.88Å; M97-V114 HydrophobicContact SD-CB 4.28Å; M97-V114 HydrophobicContact SD-CG1 3.38Å; M97-V114 WeakPolarHBondContact SD-CG1 3.42Å; M97-V114 HydrophobicContact SD-CG2 3.83Å; M97-Y136 HydrophobicContact CE-CE2 4.27Å; M97-Y136 WeakPolarHBondContact CE-OH 3.44Å; M97-Y136 HydrophobicContact SD-CE1 3.84Å; M97-Y136 HydrophobicContact SD-CE2 3.85Å; M97-Y136 PolarHBondContact SD-OH 3.1Å; M97-Y136 VanDerWaalsContact SD-OH 3.34Å
98	T	98.6	Very high	96.8	Very high	29 Å²	29	50.4 Å²	50.4	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-51.5	177.2	-55	0	0	0	0	110.4	K66 C71 S94 C95 F96 C100 S101 S102	K66-T98 HydrophobicContact CB-CG2 4.05Å; K66-T98 HydrophobicContact CD-CG2 3.82Å; K66-T98 HydrophobicContact CG-CG2 4.46Å; C71-T98 HydrophobicContact CB-CG2 4.47Å; C71-T98 VanDerWaalsContact SG-CG2 3.51Å; S94-T98 PolarHBondContact O-N 3.31Å; S94-T98 PolarHBondContact O-OG1 3.09Å; C95-T98 PolarHBondContact O-N 3.37Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.42Å; T98-C100 VanDerWaalsContact C-N 3.34Å; T98-C100 PolarHBondContact O-N 3.05Å; T98-S101 PolarHBondContact O-N 3.5Å; T98-S101 PolarHBondContact O-OG 3.34Å; T98-S102 PolarHBondContact O-N 3.04Å; T98-S102 PolarHBondContact O-OG 3.11Å
99	A	98.6	Very high	96.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-40.3	179.7	0	0	0	0	0	113.7	G68 C71 C95 F96 S102 A110	G68-A99 WeakPolarHBondContact O-CB 3.42Å; C71-A99 HydrophobicContact CB-CB 3.83Å; C95-A99 WeakPolarHBondContact O-CB 3.32Å; C95-A99 PolarHBondContact O-N 2.94Å; F96-A99 PolarHBondContact O-N 3.1Å; A99-S102 PolarHBondContact O-N 2.78Å; A99-A110 HydrophobicContact CB-CB 3.53Å
100	C	98.4	Very high	96.8	Very high	11 Å²	11	47 Å²	47	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-46.7	174	175.4	0	0	0	0	110.6	F96 M97 T98 S107 A110 C111 Y136	F96-C100 VanDerWaalsContact O-CB 3.28Å; F96-C100 WeakPolarHBondContact O-CB 3.3Å; F96-C100 PolarHBondContact O-N 3.41Å; M97-C100 PolarHBondContact O-N 3.1Å; T98-C100 VanDerWaalsContact C-N 3.34Å; T98-C100 PolarHBondContact O-N 3.05Å; C100-S107 PolarHBondContact O-OG 3.18Å; C100-A110 HydrophobicContact CB-CB 4.15Å; C100-C111 HydrophobicContact CB-CB 4Å; C100-C111 WeakPolarHBondContact CB-SG 3.46Å; C100-C111 VanDerWaalsContact SG-CA 3.54Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 3.49Å; C100-Y136 HydrophobicContact CB-CE1 4.37Å; C100-Y136 VanDerWaalsContact SG-CE1 3.54Å
101	S	97.4	Very high	96.9	Very high	96 Å²	96	41.5 Å²	41.5	67%	0.671	25%	0.249	S	C	*	.	H	α-helix	trans	-70.5	-29.6	179.6	61.7	0	0	0	0	115.2	M97 T98 G103	M97-S101 PolarHBondContact O-N 3.44Å; M97-S101 VanDerWaalsContact O-N 3.1Å; M97-S101 PolarHBondContact O-OG 2.99Å; T98-S101 PolarHBondContact O-N 3.5Å; T98-S101 PolarHBondContact O-OG 3.34Å; S101-G103 VanDerWaalsContact C-N 3.3Å; S101-G103 PolarHBondContact O-N 2.03Å
102	S	94.1	Very high	96.9	Very high	52 Å²	52	39.2 Å²	39.2	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-78.8	-8.7	-175.2	-61.5	0	0	0	0	114.5	K66 T98 A99	K66-S102 WeakPolarHBondContact O-CB 3.27Å; K66-S102 PolarHBondContact O-OG 3.32Å; T98-S102 PolarHBondContact O-N 3.04Å; T98-S102 PolarHBondContact O-OG 3.11Å; A99-S102 PolarHBondContact O-N 2.78Å
103	G	88.7	Confident	96.9	Very high	28 Å²	28	40.7 Å²	40.7	29%	0.289	25%	0.245	S	C	.	.			trans	71.5	-163.4	-175.1	0	0	0	0	0	113.3	S101 S107	S101-G103 VanDerWaalsContact C-N 3.3Å; S101-G103 PolarHBondContact O-N 2.03Å; G103-S107 VanDerWaalsContact C-CB 3.43Å; G103-S107 WeakPolarHBondContact O-CB 3.48Å
104	G	90.1	Very high	96.9	Very high	67 Å²	67	38.8 Å²	38.8	69%	0.691	24%	0.238	S	C	*	.	S	Bend	trans	85.7	-179.2	-178	0	0	0	0	0	114.5	K106 S107	G104-K106 PolarHBondContact O-N 3.23Å; G104-K106 VanDerWaalsContact O-N 3.09Å; G104-S107 WeakPolarHBondContact O-CB 3.41Å; G104-S107 PolarHBondContact O-N 3.25Å; G104-S107 VanDerWaalsContact O-N 3.11Å
105	K	92.1	Very high	96.9	Very high	186 Å²	186	35.8 Å²	35.8	81%	0.809	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.5	-167.6	-65.6	177.5	-176.2	169.6	0	114.3
106	K	96.3	Very high	96.9	Very high	69 Å²	69	38.7 Å²	38.7	30%	0.3	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	5.4	-177.7	-66.7	-58.8	-173.9	-175.2	0	114.5	E69 Y72 G104 V108 D109 A110	E69-K106 HydrophobicContact CG-CG 4.27Å; Y72-K106 HydrophobicContact CD1-CB 3.96Å; Y72-K106 HydrophobicContact CD1-CD 4.16Å; Y72-K106 HydrophobicContact CD1-CG 3.89Å; Y72-K106 HydrophobicContact CD2-CB 4.12Å; Y72-K106 HydrophobicContact CE1-CD 4.06Å; Y72-K106 HydrophobicContact CE1-CG 4.31Å; Y72-K106 HydrophobicContact CG-CB 3.71Å; Y72-K106 HydrophobicContact CG-CG 4.19Å; G104-K106 PolarHBondContact O-N 3.23Å; G104-K106 VanDerWaalsContact O-N 3.09Å; K106-V108 PolarHBondContact O-N 2.83Å; K106-D109 HydrophobicContact CD-CB 4.42Å; K106-D109 IonicContact NZ-OD1 3.08Å; K106-D109 PolarHBondContact NZ-OD1 2.92Å; K106-D109 VanDerWaalsContact NZ-OD1 3.15Å; K106-D109 PolarHBondContact O-N 3.24Å; K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.44Å; K106-A110 PolarHBondContact O-N 3.09Å
107	S	97	Very high	96.8	Very high	18 Å²	18	39.3 Å²	39.3	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-43.7	179.2	166.4	0	0	0	0	112.1	C100 G103 G104 A110 C111	C100-S107 PolarHBondContact O-OG 3.18Å; G103-S107 VanDerWaalsContact C-CB 3.43Å; G103-S107 WeakPolarHBondContact O-CB 3.48Å; G104-S107 WeakPolarHBondContact O-CB 3.41Å; G104-S107 PolarHBondContact O-N 3.25Å; G104-S107 VanDerWaalsContact O-N 3.11Å; S107-A110 WeakPolarHBondContact O-CB 3.13Å; S107-A110 PolarHBondContact O-N 3.46Å; S107-C111 PolarHBondContact O-N 3.41Å; S107-C111 PolarHBondContact O-SG 2.82Å
108	V	98.2	Very high	96.8	Very high	41 Å²	41	36.7 Å²	36.7	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-46.7	179.6	171.1	0	0	0	0	111.6	K106 A110 C111 H112 A140 F145	K106-V108 PolarHBondContact O-N 2.83Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.96Å; V108-C111 PolarHBondContact O-N 2.95Å; V108-H112 PolarHBondContact O-N 3.07Å; V108-H112 VanDerWaalsContact O-N 3.09Å; V108-A140 HydrophobicContact CG1-CB 4.46Å; V108-F145 HydrophobicContact CG1-CB 3.58Å; V108-F145 HydrophobicContact CG1-CD2 4.06Å; V108-F145 HydrophobicContact CG1-CG 4.15Å
109	D	98.3	Very high	96.6	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-41.1	172.8	-50	-142.5	0	0	0	111.1	Y72 K106 H112 N113 F145	Y72-D109 HydrophobicContact CD2-CB 4.41Å; Y72-D109 HydrophobicContact CE2-CB 3.59Å; K106-D109 HydrophobicContact CD-CB 4.42Å; K106-D109 IonicContact NZ-OD1 3.08Å; K106-D109 PolarHBondContact NZ-OD1 2.92Å; K106-D109 VanDerWaalsContact NZ-OD1 3.15Å; K106-D109 PolarHBondContact O-N 3.24Å; D109-H112 WeakPolarHBondContact O-CB 3.1Å; D109-H112 PolarHBondContact O-N 3.36Å; D109-N113 PolarHBondContact O-N 3.44Å; D109-F145 HydrophobicContact CB-CE2 4.48Å
110	A	98.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-44.3	177.9	0	0	0	0	0	111.7	Y72 A99 C100 K106 S107 V108 H112 N113 V114	Y72-A110 HydrophobicContact CD2-CB 3.87Å; A99-A110 HydrophobicContact CB-CB 3.53Å; C100-A110 HydrophobicContact CB-CB 4.15Å; K106-A110 VanDerWaalsContact O-CB 3.26Å; K106-A110 WeakPolarHBondContact O-CB 3.44Å; K106-A110 PolarHBondContact O-N 3.09Å; S107-A110 WeakPolarHBondContact O-CB 3.13Å; S107-A110 PolarHBondContact O-N 3.46Å; V108-A110 VanDerWaalsContact C-N 3.3Å; V108-A110 PolarHBondContact O-N 2.96Å; A110-H112 VanDerWaalsContact C-N 3.26Å; A110-H112 PolarHBondContact O-N 3.33Å; A110-N113 PolarHBondContact O-N 2.89Å; A110-N113 VanDerWaalsContact O-N 3.11Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.48Å
111	C	98.8	Very high	96.3	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-38.7	175.5	-58	0	0	0	0	110.9	C100 S107 V108 V114 G115 Y136 K139 A140	C100-C111 HydrophobicContact CB-CB 4Å; C100-C111 WeakPolarHBondContact CB-SG 3.46Å; C100-C111 VanDerWaalsContact SG-CA 3.54Å; C100-C111 WeakPolarHBondContact SG-CB 3.46Å; C100-C111 CovalentContact SG-SG 2.03Å; C100-C111 PolarHBondContact SG-SG 3.49Å; S107-C111 PolarHBondContact O-N 3.41Å; S107-C111 PolarHBondContact O-SG 2.82Å; V108-C111 PolarHBondContact O-N 2.95Å; C111-V114 PolarHBondContact O-N 3.02Å; C111-G115 PolarHBondContact O-N 2.96Å; C111-Y136 HydrophobicContact CB-CD1 4.3Å; C111-Y136 WeakPolarHBondContact O-CB 3.34Å; C111-K139 HydrophobicContact CB-CB 4.34Å; C111-A140 HydrophobicContact CB-CB 3.98Å
112	H	98.7	Very high	96.1	Very high	18 Å²	18	46.4 Å²	46.4	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-46.1	172.6	176.4	76.9	0	0	0	112.2	V108 D109 A110 V114 G115 L116 Y137 A140 F145 S148	V108-H112 PolarHBondContact O-N 3.07Å; V108-H112 VanDerWaalsContact O-N 3.09Å; D109-H112 WeakPolarHBondContact O-CB 3.1Å; D109-H112 PolarHBondContact O-N 3.36Å; A110-H112 VanDerWaalsContact C-N 3.26Å; A110-H112 PolarHBondContact O-N 3.33Å; H112-V114 VanDerWaalsContact C-N 3.34Å; H112-V114 PolarHBondContact O-N 2.94Å; H112-G115 CarbonylContact O-C 3.44Å; H112-G115 WeakPolarHBondContact O-CA 3.24Å; H112-G115 PolarHBondContact O-N 2.84Å; H112-L116 VanDerWaalsContact NE2-CD1 3.26Å; H112-L116 WeakPolarHBondContact NE2-CD1 3.49Å; H112-L116 PolarHBondContact O-N 2.96Å; H112-Y137 AromaticContact ND1-CD1 3.93Å; H112-Y137 AromaticContact ND1-CE1 3.73Å; H112-A140 HydrophobicContact CB-CB 4.13Å; H112-F145 HydrophobicContact CB-CD1 3.6Å; H112-F145 HydrophobicContact CB-CE1 3.67Å; H112-F145 HydrophobicContact CB-CG 4.38Å; H112-F145 HydrophobicContact CB-CZ 4.49Å; H112-F145 AromaticContact CD2-CE1 3.44Å; H112-F145 VanDerWaalsContact CD2-CE1 3.44Å; H112-F145 WeakPolarHBondContact CD2-CE1 3.4Å; H112-F145 AromaticContact CE1-CE1 3.93Å; H112-F145 AromaticContact CG-CD1 3.52Å; H112-F145 AromaticContact CG-CE1 3.3Å; H112-F145 AromaticContact ND1-CD1 3.62Å; H112-F145 AromaticContact ND1-CE1 3.65Å; H112-F145 AromaticContact NE2-CE1 3.8Å; H112-S148 WeakPolarHBondContact CB-OG 2.85Å; H112-S148 PolarHBondContact ND1-OG 3.23Å
113	N	98.6	Very high	96.1	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-34.6	179.5	-71.5	-17.6	0	0	0	113	Y72 F96 D109 A110 G115 L116 L117	Y72-N113 WeakPolarHBondContact CE2-ND2 3.47Å; F96-N113 HydrophobicContact CB-CB 4.31Å; F96-N113 HydrophobicContact CD1-CB 4.05Å; F96-N113 HydrophobicContact CD2-CB 3.61Å; F96-N113 HydrophobicContact CE1-CB 4.24Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.38Å; F96-N113 HydrophobicContact CE2-CB 3.82Å; F96-N113 HydrophobicContact CG-CB 3.74Å; F96-N113 HydrophobicContact CZ-CB 4.14Å; D109-N113 PolarHBondContact O-N 3.44Å; A110-N113 PolarHBondContact O-N 2.89Å; A110-N113 VanDerWaalsContact O-N 3.11Å; N113-G115 VanDerWaalsContact C-N 3.33Å; N113-L116 PolarHBondContact O-N 2.6Å; N113-L117 WeakPolarHBondContact O-CG 3.21Å; N113-L117 PolarHBondContact O-N 2.9Å
114	V	98.6	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-48.5	168.5	174.7	0	0	0	0	109.9	Y93 F96 M97 A110 C111 H112 L116 L117 A118 Y136	Y93-V114 HydrophobicContact CD2-CG1 4.48Å; Y93-V114 HydrophobicContact CE2-CB 4.45Å; Y93-V114 HydrophobicContact CE2-CG1 3.65Å; F96-V114 VanDerWaalsContact C-CG2 3.49Å; F96-V114 HydrophobicContact CB-CG2 3.7Å; M97-V114 HydrophobicContact CB-CG2 4.44Å; M97-V114 HydrophobicContact CG-CG1 4.24Å; M97-V114 HydrophobicContact CG-CG2 3.88Å; M97-V114 HydrophobicContact SD-CB 4.28Å; M97-V114 HydrophobicContact SD-CG1 3.38Å; M97-V114 WeakPolarHBondContact SD-CG1 3.42Å; M97-V114 HydrophobicContact SD-CG2 3.83Å; A110-V114 WeakPolarHBondContact O-CG2 3.29Å; A110-V114 PolarHBondContact O-N 3.48Å; C111-V114 PolarHBondContact O-N 3.02Å; H112-V114 VanDerWaalsContact C-N 3.34Å; H112-V114 PolarHBondContact O-N 2.94Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.43Å; V114-L117 PolarHBondContact O-N 3.01Å; V114-A118 WeakPolarHBondContact O-CB 3.47Å; V114-A118 PolarHBondContact O-N 2.91Å; V114-Y136 HydrophobicContact CB-CD1 3.77Å; V114-Y136 HydrophobicContact CB-CD2 4.47Å; V114-Y136 HydrophobicContact CB-CE1 4.35Å; V114-Y136 HydrophobicContact CB-CG 3.85Å; V114-Y136 HydrophobicContact CG1-CD1 3.56Å; V114-Y136 HydrophobicContact CG1-CD2 3.48Å; V114-Y136 VanDerWaalsContact CG1-CD2 3.48Å; V114-Y136 HydrophobicContact CG1-CE1 3.92Å; V114-Y136 HydrophobicContact CG1-CE2 3.85Å; V114-Y136 HydrophobicContact CG1-CG 3.34Å; V114-Y136 HydrophobicContact CG2-CD1 4.22Å; V114-Y136 HydrophobicContact CG2-CE1 4.41Å
115	G	98.2	Very high	96.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-43.5	178	0	0	0	0	0	113.1	C111 H112 N113 H119 A133 Y137	C111-G115 PolarHBondContact O-N 2.96Å; H112-G115 CarbonylContact O-C 3.44Å; H112-G115 WeakPolarHBondContact O-CA 3.24Å; H112-G115 PolarHBondContact O-N 2.84Å; N113-G115 VanDerWaalsContact C-N 3.33Å; G115-H119 VanDerWaalsContact O-CB 3.26Å; G115-H119 WeakPolarHBondContact O-CB 3.28Å; G115-H119 PolarHBondContact O-N 2.85Å; G115-A133 WeakPolarHBondContact O-CB 3.45Å; G115-Y137 PolarHBondContact O-OH 2.96Å
116	L	98.1	Very high	96.4	Very high	69 Å²	69	45.8 Å²	45.8	36%	0.361	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-53	176.5	-76.7	173.7	0	0	0	112	H112 N113 V114 A118 H119 D120 Y137	H112-L116 VanDerWaalsContact NE2-CD1 3.26Å; H112-L116 WeakPolarHBondContact NE2-CD1 3.49Å; H112-L116 PolarHBondContact O-N 2.96Å; N113-L116 PolarHBondContact O-N 2.6Å; V114-L116 VanDerWaalsContact C-N 3.33Å; V114-L116 PolarHBondContact O-N 3.43Å; L116-A118 VanDerWaalsContact C-N 3.3Å; L116-A118 PolarHBondContact O-N 3.43Å; L116-H119 PolarHBondContact O-N 3.38Å; L116-D120 WeakPolarHBondContact O-CB 3.47Å; L116-D120 PolarHBondContact O-N 3.11Å; L116-Y137 VanDerWaalsContact CA-OH 3.28Å; L116-Y137 WeakPolarHBondContact CA-OH 3.28Å; L116-Y137 WeakPolarHBondContact CD2-OH 3.43Å; L116-Y137 HydrophobicContact CG-CE1 4.31Å; L116-Y137 PolarHBondContact N-OH 3.06Å
117	L	98.2	Very high	96.3	Very high	18 Å²	18	43.4 Å²	43.4	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-34.4	-178.8	-69.3	176.4	0	0	0	112	I79 L89 Y93 F96 N113 V114 G121 A123	I79-L117 HydrophobicContact CD1-CD1 4.43Å; I79-L117 HydrophobicContact CD1-CD2 4.28Å; L89-L117 HydrophobicContact CD2-CD2 4.41Å; Y93-L117 HydrophobicContact CD2-CB 3.8Å; Y93-L117 HydrophobicContact CD2-CD1 4.17Å; F96-L117 HydrophobicContact CD2-CD1 3.84Å; F96-L117 HydrophobicContact CE2-CD1 4.14Å; N113-L117 WeakPolarHBondContact O-CG 3.21Å; N113-L117 PolarHBondContact O-N 2.9Å; V114-L117 PolarHBondContact O-N 3.01Å; L117-G121 PolarHBondContact O-N 3.21Å; L117-A123 HydrophobicContact CB-CB 4.05Å; L117-A123 HydrophobicContact CD1-CB 4.47Å; L117-A123 HydrophobicContact CD2-CB 4.36Å
118	A	97.6	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.9	-41	173.7	0	0	0	0	0	112	Y93 V114 L116 M124 D129 V132 A133	Y93-A118 HydrophobicContact CE2-CB 4.42Å; V114-A118 WeakPolarHBondContact O-CB 3.47Å; V114-A118 PolarHBondContact O-N 2.91Å; L116-A118 VanDerWaalsContact C-N 3.3Å; L116-A118 PolarHBondContact O-N 3.43Å; A118-M124 VanDerWaalsContact CA-CE 3.43Å; A118-M124 HydrophobicContact CB-CE 4.35Å; A118-M124 VanDerWaalsContact O-CE 3.31Å; A118-M124 WeakPolarHBondContact O-CE 3.39Å; A118-D129 PolarHBondContact O-N 3.49Å; A118-V132 HydrophobicContact CB-CB 4.07Å; A118-V132 HydrophobicContact CB-CG1 3.69Å; A118-A133 HydrophobicContact CB-CB 4.01Å
119	H	95.4	Very high	96	Very high	76 Å²	76	47.2 Å²	47.2	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-69.3	-43.9	178.4	-168.2	121.1	0	0	0	111.5	G115 L116 P128 A133 Y137	G115-H119 VanDerWaalsContact O-CB 3.26Å; G115-H119 WeakPolarHBondContact O-CB 3.28Å; G115-H119 PolarHBondContact O-N 2.85Å; L116-H119 PolarHBondContact O-N 3.38Å; H119-P128 WeakPolarHBondContact O-CB 3.36Å; H119-A133 HydrophobicContact CB-CB 3.81Å; H119-Y137 HydrophobicContact CB-CE2 4.45Å
120	D	94.8	Very high	95.8	Very high	77 Å²	77	48 Å²	48	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-70.5	-36.7	-179.4	167.2	86.9	0	0	0	112.6	L116 R122	L116-D120 WeakPolarHBondContact O-CB 3.47Å; L116-D120 PolarHBondContact O-N 3.11Å; D120-R122 VanDerWaalsContact C-N 3.33Å; D120-R122 PolarHBondContact O-N 2.89Å; D120-R122 WeakPolarHBondContact OD1-CD 3.43Å; D120-R122 WeakPolarHBondContact OD2-CB 3.16Å; D120-R122 WeakPolarHBondContact OD2-CD 3.38Å; D120-R122 WeakPolarHBondContact OD2-CG 3.49Å; D120-R122 PolarHBondContact OD2-N 3.41Å
121	G	94.8	Very high	95.6	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	27%	0.27	C	S	.	.			trans	87.3	-16.7	174.5	0	0	0	0	0	115.8	L117 A123 M124	L117-G121 PolarHBondContact O-N 3.21Å; G121-A123 PolarHBondContact O-N 2.98Å; G121-A123 VanDerWaalsContact O-N 3.14Å; G121-M124 PolarHBondContact O-N 3.3Å
122	R	93.9	Very high	95.4	Very high	184 Å²	184	50.6 Å²	50.6	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	-174.5	-63.2	165	56.9	-161.1	-2	113.9	L89 D120 M124	L89-R122 HydrophobicContact CD1-CB 3.6Å; D120-R122 VanDerWaalsContact C-N 3.33Å; D120-R122 PolarHBondContact O-N 2.89Å; D120-R122 WeakPolarHBondContact OD1-CD 3.43Å; D120-R122 WeakPolarHBondContact OD2-CB 3.16Å; D120-R122 WeakPolarHBondContact OD2-CD 3.38Å; D120-R122 WeakPolarHBondContact OD2-CG 3.49Å; D120-R122 PolarHBondContact OD2-N 3.41Å; R122-M124 VanDerWaalsContact C-N 3.34Å
123	A	94	Very high	95.4	Very high	6 Å²	6	49.8 Å²	49.8	5%	0.05	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.1	174.4	0	0	0	0	0	113.8	L89 Y93 L117 G121	L89-A123 HydrophobicContact CB-CB 3.93Å; Y93-A123 HydrophobicContact CD2-CB 4.5Å; Y93-A123 HydrophobicContact CG-CB 4.35Å; L117-A123 HydrophobicContact CB-CB 4.05Å; L117-A123 HydrophobicContact CD1-CB 4.47Å; L117-A123 HydrophobicContact CD2-CB 4.36Å; G121-A123 PolarHBondContact O-N 2.98Å; G121-A123 VanDerWaalsContact O-N 3.14Å
124	M	92.8	Very high	95.3	Very high	37 Å²	37	50.4 Å²	50.4	18%	0.182	27%	0.273	C	S	.	.	S	Bend	trans	-128.2	141	-171.5	-58.5	167.1	-68.2	0	0	111.3	A118 G121 R122 S126 G127 D129	A118-M124 VanDerWaalsContact CA-CE 3.43Å; A118-M124 HydrophobicContact CB-CE 4.35Å; A118-M124 VanDerWaalsContact O-CE 3.31Å; A118-M124 WeakPolarHBondContact O-CE 3.39Å; G121-M124 PolarHBondContact O-N 3.3Å; R122-M124 VanDerWaalsContact C-N 3.34Å; M124-S126 VanDerWaalsContact C-N 3.26Å; M124-S126 PolarHBondContact O-N 3.46Å; M124-G127 VanDerWaalsContact CE-O 3.31Å; M124-G127 WeakPolarHBondContact CE-O 3.4Å; M124-G127 PolarHBondContact O-N 2.87Å; M124-D129 HydrophobicContact CE-CB 4.41Å; M124-D129 HydrophobicContact SD-CB 4.38Å
125	E	91.4	Very high	95.3	Very high	173 Å²	173	54.9 Å²	54.9	81%	0.808	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.1	178.1	-70.6	164.9	-149.4	0	0	112.5	K90 G127	K90-E125 IonicContact NZ-OE1 2.73Å; K90-E125 PolarHBondContact NZ-OE1 2.93Å; E125-G127 PolarHBondContact O-N 3.39Å
126	S	91.4	Very high	95.3	Very high	104 Å²	104	56.1 Å²	56.1	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.6	177.6	53.5	0	0	0	0	114.4	M124	M124-S126 VanDerWaalsContact C-N 3.26Å; M124-S126 PolarHBondContact O-N 3.46Å
127	G	94.1	Very high	95.3	Very high	19 Å²	19	53 Å²	53	20%	0.196	28%	0.282	C	S	.	.			trans	72.7	-163.3	-169.7	0	0	0	0	0	113	M124 E125	M124-G127 VanDerWaalsContact CE-O 3.31Å; M124-G127 WeakPolarHBondContact CE-O 3.4Å; M124-G127 PolarHBondContact O-N 2.87Å; E125-G127 PolarHBondContact O-N 3.39Å
128	P	94.6	Very high	95.3	Very high	79 Å²	79	55.3 Å²	55.3	51%	0.513	29%	0.292	S	S	.	.			trans	-53.5	137.6	-177.2	-29.6	36	0	0	0	114.2	H119	H119-P128 WeakPolarHBondContact O-CB 3.36Å
129	D	94.4	Very high	95.4	Very high	60 Å²	60	60 Å²	60	32%	0.321	31%	0.313	S	S	.	.			trans	-120.8	91.7	169.9	-169	-29.8	0	0	0	110.5	A118 M124 G131 V132 A133	A118-D129 PolarHBondContact O-N 3.49Å; M124-D129 HydrophobicContact CE-CB 4.41Å; M124-D129 HydrophobicContact SD-CB 4.38Å; D129-G131 PolarHBondContact O-N 2.92Å; D129-G131 WeakPolarHBondContact OD1-CA 3.49Å; D129-G131 PolarHBondContact OD1-N 3.04Å; D129-V132 HydrophobicContact CB-CB 4.1Å; D129-V132 HydrophobicContact CB-CG2 4.19Å; D129-V132 VanDerWaalsContact CG-CG2 3.5Å; D129-V132 PolarHBondContact O-N 2.85Å; D129-V132 PolarHBondContact OD1-N 3.41Å; D129-V132 WeakPolarHBondContact OD2-CG2 3.26Å; D129-A133 WeakPolarHBondContact O-CB 3.5Å; D129-A133 PolarHBondContact O-N 2.94Å
130	P	93.9	Very high	95.5	Very high	48 Å²	48	56.4 Å²	56.4	31%	0.312	30%	0.296	S	S	.	.	H	α-helix	trans	-62.3	-23.1	177.4	-23.9	33.9	0	0	0	113.9	R134 M155	P130-R134 WeakPolarHBondContact O-CG 3.21Å; P130-R134 PolarHBondContact O-N 2.88Å; P130-R134 VanDerWaalsContact O-N 3.1Å; P130-R134 PolarHBondContact O-NH1 3.08Å; P130-M155 HydrophobicContact CB-CE 4.01Å; P130-M155 WeakPolarHBondContact O-CE 3.48Å
131	G	94.7	Very high	95.7	Very high	31 Å²	31	53 Å²	53	32%	0.32	28%	0.278	S	S	.	.	H	α-helix	trans	-71.5	-50.2	178.2	0	0	0	0	0	111	D129 R134 Q135	D129-G131 PolarHBondContact O-N 2.92Å; D129-G131 WeakPolarHBondContact OD1-CA 3.49Å; D129-G131 PolarHBondContact OD1-N 3.04Å; G131-R134 PolarHBondContact O-N 3.37Å; G131-Q135 PolarHBondContact O-N 3.2Å; G131-Q135 VanDerWaalsContact O-N 3.09Å
132	V	96.1	Very high	95.9	Very high	29 Å²	29	58.3 Å²	58.3	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-45.2	173.6	174	0	0	0	0	110.3	Y93 A118 D129 R134 Q135 Y136	Y93-V132 WeakPolarHBondContact OH-CG1 3.38Å; A118-V132 HydrophobicContact CB-CB 4.07Å; A118-V132 HydrophobicContact CB-CG1 3.69Å; D129-V132 HydrophobicContact CB-CB 4.1Å; D129-V132 HydrophobicContact CB-CG2 4.19Å; D129-V132 VanDerWaalsContact CG-CG2 3.5Å; D129-V132 PolarHBondContact O-N 2.85Å; D129-V132 PolarHBondContact OD1-N 3.41Å; D129-V132 WeakPolarHBondContact OD2-CG2 3.26Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 3.35Å; V132-Q135 PolarHBondContact O-N 3.05Å; V132-Y136 HydrophobicContact CG1-CD2 3.7Å; V132-Y136 HydrophobicContact CG1-CE2 3.91Å; V132-Y136 WeakPolarHBondContact O-CD2 3.4Å; V132-Y136 PolarHBondContact O-N 3.17Å
133	A	97.4	Very high	96.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-48.7	178.1	0	0	0	0	0	112.3	G115 A118 H119 D129 Y136 Y137 M155	G115-A133 WeakPolarHBondContact O-CB 3.45Å; A118-A133 HydrophobicContact CB-CB 4.01Å; H119-A133 HydrophobicContact CB-CB 3.81Å; D129-A133 WeakPolarHBondContact O-CB 3.5Å; D129-A133 PolarHBondContact O-N 2.94Å; A133-Y136 PolarHBondContact O-N 3.21Å; A133-Y137 HydrophobicContact CB-CD2 4.46Å; A133-Y137 HydrophobicContact CB-CE2 4.21Å; A133-Y137 WeakPolarHBondContact O-CB 3.46Å; A133-Y137 WeakPolarHBondContact O-CD2 3.4Å; A133-Y137 VanDerWaalsContact O-CG 3.29Å; A133-Y137 PolarHBondContact O-N 3.33Å; A133-M155 HydrophobicContact CB-CE 3.97Å; A133-M155 HydrophobicContact CB-SD 4.39Å
134	R	97.3	Very high	96.2	Very high	45 Å²	45	52.9 Å²	52.9	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-58.6	-50.6	175.7	-75.7	-170.3	-56.5	-89.6	4.4	111.8	P130 G131 V132 Y136 Y137 E138 L152 M155	P130-R134 WeakPolarHBondContact O-CG 3.21Å; P130-R134 PolarHBondContact O-N 2.88Å; P130-R134 VanDerWaalsContact O-N 3.1Å; P130-R134 PolarHBondContact O-NH1 3.08Å; G131-R134 PolarHBondContact O-N 3.37Å; V132-R134 VanDerWaalsContact C-N 3.34Å; V132-R134 PolarHBondContact O-N 3.35Å; R134-Y136 VanDerWaalsContact C-N 3.27Å; R134-Y136 PolarHBondContact O-N 3.43Å; R134-Y137 PolarHBondContact O-N 3.46Å; R134-E138 WeakPolarHBondContact O-CB 3.38Å; R134-E138 WeakPolarHBondContact O-CG 3.36Å; R134-E138 PolarHBondContact O-N 3.33Å; R134-L152 HydrophobicContact CB-CD2 4.23Å; R134-L152 HydrophobicContact CG-CD2 4.22Å; R134-M155 HydrophobicContact CG-CE 3.49Å; R134-M155 VanDerWaalsContact CG-CE 3.49Å; R134-M155 HydrophobicContact CG-SD 3.85Å
135	Q	97.8	Very high	96.5	Very high	94 Å²	94	53.6 Å²	53.6	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-55.3	-43.3	-177.6	-174.8	-172.7	21.1	0	0	112.2	G131 V132 K139	G131-Q135 PolarHBondContact O-N 3.2Å; G131-Q135 VanDerWaalsContact O-N 3.09Å; V132-Q135 PolarHBondContact O-N 3.05Å; Q135-K139 WeakPolarHBondContact O-CG 3.18Å; Q135-K139 PolarHBondContact O-N 3.45Å
136	Y	98.6	Very high	96.8	Very high	25 Å²	25	45.9 Å²	45.9	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-80.6	-33.6	-177.4	-81.2	-85.4	0	0	0	113.2	M97 C100 C111 V114 V132 A133 R134 E138 K139 A140	M97-Y136 HydrophobicContact CE-CE2 4.27Å; M97-Y136 WeakPolarHBondContact CE-OH 3.44Å; M97-Y136 HydrophobicContact SD-CE1 3.84Å; M97-Y136 HydrophobicContact SD-CE2 3.85Å; M97-Y136 PolarHBondContact SD-OH 3.1Å; M97-Y136 VanDerWaalsContact SD-OH 3.34Å; C100-Y136 HydrophobicContact CB-CE1 4.37Å; C100-Y136 VanDerWaalsContact SG-CE1 3.54Å; C111-Y136 HydrophobicContact CB-CD1 4.3Å; C111-Y136 WeakPolarHBondContact O-CB 3.34Å; V114-Y136 HydrophobicContact CB-CD1 3.77Å; V114-Y136 HydrophobicContact CB-CD2 4.47Å; V114-Y136 HydrophobicContact CB-CE1 4.35Å; V114-Y136 HydrophobicContact CB-CG 3.85Å; V114-Y136 HydrophobicContact CG1-CD1 3.56Å; V114-Y136 HydrophobicContact CG1-CD2 3.48Å; V114-Y136 VanDerWaalsContact CG1-CD2 3.48Å; V114-Y136 HydrophobicContact CG1-CE1 3.92Å; V114-Y136 HydrophobicContact CG1-CE2 3.85Å; V114-Y136 HydrophobicContact CG1-CG 3.34Å; V114-Y136 HydrophobicContact CG2-CD1 4.22Å; V114-Y136 HydrophobicContact CG2-CE1 4.41Å; V132-Y136 HydrophobicContact CG1-CD2 3.7Å; V132-Y136 HydrophobicContact CG1-CE2 3.91Å; V132-Y136 WeakPolarHBondContact O-CD2 3.4Å; V132-Y136 PolarHBondContact O-N 3.17Å; A133-Y136 PolarHBondContact O-N 3.21Å; R134-Y136 VanDerWaalsContact C-N 3.27Å; R134-Y136 PolarHBondContact O-N 3.43Å; Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 PolarHBondContact O-N 3.4Å; Y136-K139 HydrophobicContact CD1-CD 4.31Å; Y136-K139 HydrophobicContact CE1-CD 4.43Å; Y136-K139 PolarHBondContact O-N 3.07Å; Y136-A140 PolarHBondContact O-N 2.59Å
137	Y	98.7	Very high	97.2	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-36.2	167.6	-67.9	-41.2	0	0	0	112.3	H112 G115 L116 H119 A133 R134 A140 C141 S148 N151 M155	H112-Y137 AromaticContact ND1-CD1 3.93Å; H112-Y137 AromaticContact ND1-CE1 3.73Å; G115-Y137 PolarHBondContact O-OH 2.96Å; L116-Y137 VanDerWaalsContact CA-OH 3.28Å; L116-Y137 WeakPolarHBondContact CA-OH 3.28Å; L116-Y137 WeakPolarHBondContact CD2-OH 3.43Å; L116-Y137 HydrophobicContact CG-CE1 4.31Å; L116-Y137 PolarHBondContact N-OH 3.06Å; H119-Y137 HydrophobicContact CB-CE2 4.45Å; A133-Y137 HydrophobicContact CB-CD2 4.46Å; A133-Y137 HydrophobicContact CB-CE2 4.21Å; A133-Y137 WeakPolarHBondContact O-CB 3.46Å; A133-Y137 WeakPolarHBondContact O-CD2 3.4Å; A133-Y137 VanDerWaalsContact O-CG 3.29Å; A133-Y137 PolarHBondContact O-N 3.33Å; R134-Y137 PolarHBondContact O-N 3.46Å; Y137-A140 PolarHBondContact O-N 3.47Å; Y137-C141 WeakPolarHBondContact O-CB 3.42Å; Y137-C141 PolarHBondContact O-N 3.4Å; Y137-S148 WeakPolarHBondContact O-CB 3.42Å; Y137-N151 HydrophobicContact CD1-CB 4.4Å; Y137-N151 HydrophobicContact CD2-CB 4.04Å; Y137-N151 HydrophobicContact CE1-CB 4.18Å; Y137-N151 HydrophobicContact CE2-CB 3.81Å; Y137-N151 HydrophobicContact CG-CB 4.34Å; Y137-N151 PolarHBondContact OH-ND2 3.45Å; Y137-M155 HydrophobicContact CD2-SD 3.71Å; Y137-M155 HydrophobicContact CE2-SD 3.8Å
138	E	98.6	Very high	97.4	Very high	67 Å²	67	42 Å²	42	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-62.7	-44.8	176.6	-78.5	178.1	168.5	0	0	111.5	R134 Y136 C141 T142 L152 Y173	R134-E138 WeakPolarHBondContact O-CB 3.38Å; R134-E138 WeakPolarHBondContact O-CG 3.36Å; R134-E138 PolarHBondContact O-N 3.33Å; Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 PolarHBondContact O-N 3.4Å; E138-C141 PolarHBondContact O-N 2.94Å; E138-T142 VanDerWaalsContact O-CB 3.31Å; E138-T142 WeakPolarHBondContact O-CB 3.44Å; E138-T142 PolarHBondContact O-N 2.9Å; E138-T142 PolarHBondContact O-OG1 3.42Å; E138-L152 HydrophobicContact CB-CD1 4.37Å; E138-L152 HydrophobicContact CG-CD1 3.75Å; E138-L152 HydrophobicContact CG-CD2 3.95Å; E138-Y173 PolarHBondContact OE1-OH 2.9Å
139	K	98.4	Very high	97.6	Very high	99 Å²	99	38.2 Å²	38.2	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-57.7	-50.4	173.5	-71.9	177.8	179.8	179.8	0	111.4	C111 Q135 Y136 T142 G143	C111-K139 HydrophobicContact CB-CB 4.34Å; Q135-K139 WeakPolarHBondContact O-CG 3.18Å; Q135-K139 PolarHBondContact O-N 3.45Å; Y136-K139 HydrophobicContact CD1-CD 4.31Å; Y136-K139 HydrophobicContact CE1-CD 4.43Å; Y136-K139 PolarHBondContact O-N 3.07Å; K139-T142 PolarHBondContact O-N 3.48Å; K139-G143 PolarHBondContact O-N 3.14Å
140	A	98.7	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-41.2	-179.1	0	0	0	0	0	112.7	V108 C111 H112 Y136 Y137 G143 G144 F145 S148	V108-A140 HydrophobicContact CG1-CB 4.46Å; C111-A140 HydrophobicContact CB-CB 3.98Å; H112-A140 HydrophobicContact CB-CB 4.13Å; Y136-A140 PolarHBondContact O-N 2.59Å; Y137-A140 PolarHBondContact O-N 3.47Å; A140-G143 CarbonylContact O-C 3.29Å; A140-G143 WeakPolarHBondContact O-CA 3.45Å; A140-G143 PolarHBondContact O-N 2.65Å; A140-G144 PolarHBondContact O-N 2.91Å; A140-F145 HydrophobicContact CB-CB 4.05Å; A140-F145 VanDerWaalsContact O-CB 3.27Å; A140-F145 WeakPolarHBondContact O-CB 3.47Å; A140-F145 PolarHBondContact O-N 2.94Å; A140-S148 WeakPolarHBondContact CB-OG 3.48Å
141	C	98.7	Very high	98	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-42.6	176.9	176.1	0	0	0	0	111.8	Y137 E138 G143 G144 C149 L152	Y137-C141 WeakPolarHBondContact O-CB 3.42Å; Y137-C141 PolarHBondContact O-N 3.4Å; E138-C141 PolarHBondContact O-N 2.94Å; C141-G143 VanDerWaalsContact C-N 3.26Å; C141-G143 PolarHBondContact O-N 3.3Å; C141-G144 PolarHBondContact O-N 3.44Å; C141-C149 WeakPolarHBondContact CA-SG 3.45Å; C141-C149 HydrophobicContact CB-CB 3.99Å; C141-C149 WeakPolarHBondContact CB-SG 3.42Å; C141-C149 WeakPolarHBondContact SG-CA 3.49Å; C141-C149 WeakPolarHBondContact SG-CB 3.26Å; C141-C149 CovalentContact SG-SG 2.02Å; C141-C149 PolarHBondContact SG-SG 3.38Å; C141-L152 HydrophobicContact CB-CD1 3.99Å
142	T	98.2	Very high	98.2	Very high	116 Å²	116	35.4 Å²	35.4	71%	0.712	20%	0.197	S	C	*	.	H	α-helix	trans	-62	-38.3	173.9	-57.3	0	0	0	0	110.9	E138 K139 G144	E138-T142 VanDerWaalsContact O-CB 3.31Å; E138-T142 WeakPolarHBondContact O-CB 3.44Å; E138-T142 PolarHBondContact O-N 2.9Å; E138-T142 PolarHBondContact O-OG1 3.42Å; K139-T142 PolarHBondContact O-N 3.48Å; T142-G144 PolarHBondContact O-N 3.15Å
143	G	97.4	Very high	98.3	Very high	45 Å²	45	34 Å²	34	46%	0.464	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	3.5	171.7	0	0	0	0	0	115.4	K139 A140 C141	K139-G143 PolarHBondContact O-N 3.14Å; A140-G143 CarbonylContact O-C 3.29Å; A140-G143 WeakPolarHBondContact O-CA 3.45Å; A140-G143 PolarHBondContact O-N 2.65Å; C141-G143 VanDerWaalsContact C-N 3.26Å; C141-G143 PolarHBondContact O-N 3.3Å
144	G	97.9	Very high	98.3	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	10.5	175.7	0	0	0	0	0	115.5	A140 C141 T142 A146	A140-G144 PolarHBondContact O-N 2.91Å; C141-G144 PolarHBondContact O-N 3.44Å; T142-G144 PolarHBondContact O-N 3.15Å; G144-A146 PolarHBondContact O-N 2.65Å; G144-A146 VanDerWaalsContact O-N 3.1Å
145	F	98.4	Very high	98.3	Very high	51 Å²	51	33.7 Å²	33.7	22%	0.224	19%	0.194	C	C	.	.			trans	-77.9	96.6	175.5	-149	-108.4	0	0	0	111.1	V108 D109 H112 A140 P147 S148 C149	V108-F145 HydrophobicContact CG1-CB 3.58Å; V108-F145 HydrophobicContact CG1-CD2 4.06Å; V108-F145 HydrophobicContact CG1-CG 4.15Å; D109-F145 HydrophobicContact CB-CE2 4.48Å; H112-F145 HydrophobicContact CB-CD1 3.6Å; H112-F145 HydrophobicContact CB-CE1 3.67Å; H112-F145 HydrophobicContact CB-CG 4.38Å; H112-F145 HydrophobicContact CB-CZ 4.49Å; H112-F145 AromaticContact CD2-CE1 3.44Å; H112-F145 VanDerWaalsContact CD2-CE1 3.44Å; H112-F145 WeakPolarHBondContact CD2-CE1 3.4Å; H112-F145 AromaticContact CE1-CE1 3.93Å; H112-F145 AromaticContact CG-CD1 3.52Å; H112-F145 AromaticContact CG-CE1 3.3Å; H112-F145 AromaticContact ND1-CD1 3.62Å; H112-F145 AromaticContact ND1-CE1 3.65Å; H112-F145 AromaticContact NE2-CE1 3.8Å; A140-F145 HydrophobicContact CB-CB 4.05Å; A140-F145 VanDerWaalsContact O-CB 3.27Å; A140-F145 WeakPolarHBondContact O-CB 3.47Å; A140-F145 PolarHBondContact O-N 2.94Å; F145-P147 VanDerWaalsContact C-CD 3.47Å; F145-P147 VanDerWaalsContact C-N 3.35Å; F145-P147 HydrophobicContact CD1-CB 4.02Å; F145-P147 HydrophobicContact CD1-CG 4Å; F145-P147 HydrophobicContact CE1-CB 3.86Å; F145-P147 HydrophobicContact CE1-CG 3.71Å; F145-P147 HydrophobicContact CZ-CG 4.32Å; F145-S148 WeakPolarHBondContact O-CB 3.46Å; F145-S148 PolarHBondContact O-N 3.25Å; F145-C149 PolarHBondContact O-N 3.15Å
146	A	98.4	Very high	98.4	Very high	11 Å²	11	30.1 Å²	30.1	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-52.1	-42.7	-176.2	0	0	0	0	0	114.2	G144 S148 C149 F150 L180 H182	G144-A146 PolarHBondContact O-N 2.65Å; G144-A146 VanDerWaalsContact O-N 3.1Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.96Å; A146-C149 WeakPolarHBondContact O-CB 3.13Å; A146-C149 PolarHBondContact O-N 3.44Å; A146-F150 PolarHBondContact O-N 3.08Å; A146-F150 VanDerWaalsContact O-N 3.09Å; A146-L180 HydrophobicContact CB-CB 3.48Å; A146-L180 VanDerWaalsContact CB-CB 3.48Å; A146-L180 HydrophobicContact CB-CD1 4.36Å; A146-H182 HydrophobicContact CB-CB 3.78Å
147	P	98.6	Very high	98.3	Very high	42 Å²	42	31.4 Å²	31.4	27%	0.273	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-34.3	176.4	-26.3	35.8	0	0	0	114	F145 F150 N151	F145-P147 VanDerWaalsContact C-CD 3.47Å; F145-P147 VanDerWaalsContact C-N 3.35Å; F145-P147 HydrophobicContact CD1-CB 4.02Å; F145-P147 HydrophobicContact CD1-CG 4Å; F145-P147 HydrophobicContact CE1-CB 3.86Å; F145-P147 HydrophobicContact CE1-CG 3.71Å; F145-P147 HydrophobicContact CZ-CG 4.32Å; P147-F150 PolarHBondContact O-N 3.04Å; P147-N151 PolarHBondContact O-N 3.41Å
148	S	98.8	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.6	-38.4	177.1	-65.9	0	0	0	0	112.1	H112 Y137 A140 F145 A146 F150 N151 L152	H112-S148 WeakPolarHBondContact CB-OG 2.85Å; H112-S148 PolarHBondContact ND1-OG 3.23Å; Y137-S148 WeakPolarHBondContact O-CB 3.42Å; A140-S148 WeakPolarHBondContact CB-OG 3.48Å; F145-S148 WeakPolarHBondContact O-CB 3.46Å; F145-S148 PolarHBondContact O-N 3.25Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.96Å; S148-F150 VanDerWaalsContact C-N 3.3Å; S148-F150 PolarHBondContact O-N 3.45Å; S148-N151 PolarHBondContact O-N 3.47Å; S148-L152 WeakPolarHBondContact O-CG 3.39Å; S148-L152 PolarHBondContact O-N 3.33Å
149	C	98.8	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-40.7	173.4	-56.8	0	0	0	0	111	C141 F145 A146 L152 S153 Y173 R176 A177 L180	C141-C149 WeakPolarHBondContact CA-SG 3.45Å; C141-C149 HydrophobicContact CB-CB 3.99Å; C141-C149 WeakPolarHBondContact CB-SG 3.42Å; C141-C149 WeakPolarHBondContact SG-CA 3.49Å; C141-C149 WeakPolarHBondContact SG-CB 3.26Å; C141-C149 CovalentContact SG-SG 2.02Å; C141-C149 PolarHBondContact SG-SG 3.38Å; F145-C149 PolarHBondContact O-N 3.15Å; A146-C149 WeakPolarHBondContact O-CB 3.13Å; A146-C149 PolarHBondContact O-N 3.44Å; C149-L152 PolarHBondContact O-N 2.99Å; C149-S153 PolarHBondContact O-N 3Å; C149-Y173 WeakPolarHBondContact O-CB 3.38Å; C149-R176 HydrophobicContact CB-CG 4.38Å; C149-A177 HydrophobicContact CB-CB 3.67Å; C149-L180 VanDerWaalsContact SG-CD1 3.56Å
150	F	98.8	Very high	97.3	Very high	44 Å²	44	32 Å²	32	19%	0.193	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-45.3	175.4	172.2	-100.7	0	0	0	112.1	A146 P147 S148 L152 S153 A154 A177 H182 W184 N188	A146-F150 PolarHBondContact O-N 3.08Å; A146-F150 VanDerWaalsContact O-N 3.09Å; P147-F150 PolarHBondContact O-N 3.04Å; S148-F150 VanDerWaalsContact C-N 3.3Å; S148-F150 PolarHBondContact O-N 3.45Å; F150-L152 VanDerWaalsContact C-N 3.33Å; F150-L152 PolarHBondContact O-N 3.44Å; F150-S153 VanDerWaalsContact O-CB 3.31Å; F150-S153 WeakPolarHBondContact O-CB 3.45Å; F150-S153 PolarHBondContact O-N 3Å; F150-S153 VanDerWaalsContact O-N 3.13Å; F150-A154 PolarHBondContact O-N 2.91Å; F150-A177 HydrophobicContact CB-CB 4.05Å; F150-H182 AromaticContact CD1-CE1 3.62Å; F150-H182 AromaticContact CD2-CE1 3.79Å; F150-H182 AromaticContact CD2-ND1 3.78Å; F150-H182 AromaticContact CG-CE1 3.34Å; F150-H182 WeakPolarHBondContact CG-CE1 3.33Å; F150-H182 AromaticContact CG-ND1 3.63Å; F150-W184 HydrophobicContact CD2-CB 3.97Å; F150-W184 HydrophobicContact CE2-CB 3.48Å; F150-W184 VanDerWaalsContact CE2-CB 3.48Å; F150-W184 HydrophobicContact CZ-CB 3.86Å; F150-N188 VanDerWaalsContact CE2-ND2 3.3Å; F150-N188 WeakPolarHBondContact CE2-ND2 3.49Å
151	N	98.6	Very high	96.7	Very high	35 Å²	35	38.8 Å²	38.8	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-38.9	177.4	-73	-8.3	0	0	0	112	Y137 P147 S148 S153 A154 M155	Y137-N151 HydrophobicContact CD1-CB 4.4Å; Y137-N151 HydrophobicContact CD2-CB 4.04Å; Y137-N151 HydrophobicContact CE1-CB 4.18Å; Y137-N151 HydrophobicContact CE2-CB 3.81Å; Y137-N151 HydrophobicContact CG-CB 4.34Å; Y137-N151 PolarHBondContact OH-ND2 3.45Å; P147-N151 PolarHBondContact O-N 3.41Å; S148-N151 PolarHBondContact O-N 3.47Å; N151-S153 VanDerWaalsContact C-N 3.34Å; N151-S153 PolarHBondContact O-N 3.25Å; N151-A154 PolarHBondContact O-N 3.25Å; N151-M155 VanDerWaalsContact O-CG 3.27Å; N151-M155 WeakPolarHBondContact O-CG 3.39Å; N151-M155 PolarHBondContact O-N 3.45Å
152	L	98.4	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-44.7	172.3	-75.8	167.7	0	0	0	111.9	R134 E138 C141 S148 C149 F150 A154 M155 Y156 Y173	R134-L152 HydrophobicContact CB-CD2 4.23Å; R134-L152 HydrophobicContact CG-CD2 4.22Å; E138-L152 HydrophobicContact CB-CD1 4.37Å; E138-L152 HydrophobicContact CG-CD1 3.75Å; E138-L152 HydrophobicContact CG-CD2 3.95Å; C141-L152 HydrophobicContact CB-CD1 3.99Å; S148-L152 WeakPolarHBondContact O-CG 3.39Å; S148-L152 PolarHBondContact O-N 3.33Å; C149-L152 PolarHBondContact O-N 2.99Å; F150-L152 VanDerWaalsContact C-N 3.33Å; F150-L152 PolarHBondContact O-N 3.44Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-M155 PolarHBondContact O-N 2.97Å; L152-Y156 HydrophobicContact CD2-CE2 4.45Å; L152-Y156 WeakPolarHBondContact O-CD2 3.33Å; L152-Y156 PolarHBondContact O-N 3.27Å; L152-Y173 HydrophobicContact CB-CD1 4.08Å; L152-Y173 HydrophobicContact CB-CD2 3.91Å; L152-Y173 HydrophobicContact CB-CE1 4.49Å; L152-Y173 HydrophobicContact CB-CE2 4.33Å; L152-Y173 HydrophobicContact CB-CG 3.77Å; L152-Y173 HydrophobicContact CD1-CD1 3.77Å; L152-Y173 HydrophobicContact CD1-CE1 3.54Å; L152-Y173 HydrophobicContact CD1-CE2 4.38Å; L152-Y173 HydrophobicContact CD1-CG 4.29Å
153	S	98.6	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.4	-49.5	176.1	-178.8	0	0	0	0	111.4	C149 F150 N151 M155 Y156 I157 A170 A174	C149-S153 PolarHBondContact O-N 3Å; F150-S153 VanDerWaalsContact O-CB 3.31Å; F150-S153 WeakPolarHBondContact O-CB 3.45Å; F150-S153 PolarHBondContact O-N 3Å; F150-S153 VanDerWaalsContact O-N 3.13Å; N151-S153 VanDerWaalsContact C-N 3.34Å; N151-S153 PolarHBondContact O-N 3.25Å; S153-M155 PolarHBondContact O-N 3.19Å; S153-Y156 PolarHBondContact O-N 2.86Å; S153-I157 WeakPolarHBondContact O-CG1 3.05Å; S153-I157 PolarHBondContact O-N 3.09Å; S153-A170 WeakPolarHBondContact CB-O 3.02Å; S153-A170 PolarHBondContact OG-O 3.45Å; S153-A174 WeakPolarHBondContact OG-CB 3.34Å
154	A	97.8	Very high	95.3	Very high	24 Å²	24	48.1 Å²	48.1	20%	0.198	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-45.4	176.8	0	0	0	0	0	112.1	F150 N151 L152 Y156 I157 E158	F150-A154 PolarHBondContact O-N 2.91Å; N151-A154 PolarHBondContact O-N 3.25Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-A154 PolarHBondContact O-N 3.4Å; A154-Y156 VanDerWaalsContact C-N 3.29Å; A154-Y156 PolarHBondContact O-N 2.92Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-I157 VanDerWaalsContact O-N 3.1Å; A154-E158 WeakPolarHBondContact O-CB 3.48Å; A154-E158 WeakPolarHBondContact O-CG 3.29Å; A154-E158 PolarHBondContact O-N 3.1Å
155	M	97.3	Very high	95.2	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-35.6	178.2	-71.3	-177.6	82.1	0	0	113.1	P130 A133 R134 Y137 N151 L152 S153 G159	P130-M155 HydrophobicContact CB-CE 4.01Å; P130-M155 WeakPolarHBondContact O-CE 3.48Å; A133-M155 HydrophobicContact CB-CE 3.97Å; A133-M155 HydrophobicContact CB-SD 4.39Å; R134-M155 HydrophobicContact CG-CE 3.49Å; R134-M155 VanDerWaalsContact CG-CE 3.49Å; R134-M155 HydrophobicContact CG-SD 3.85Å; Y137-M155 HydrophobicContact CD2-SD 3.71Å; Y137-M155 HydrophobicContact CE2-SD 3.8Å; N151-M155 VanDerWaalsContact O-CG 3.27Å; N151-M155 WeakPolarHBondContact O-CG 3.39Å; N151-M155 PolarHBondContact O-N 3.45Å; L152-M155 PolarHBondContact O-N 2.97Å; S153-M155 PolarHBondContact O-N 3.19Å; M155-G159 WeakPolarHBondContact O-CA 3.26Å; M155-G159 PolarHBondContact O-N 3.42Å
156	Y	98	Very high	95.2	Very high	19 Å²	19	53.9 Å²	53.9	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-78.7	-25.7	176.2	-76.8	-68.4	0	0	0	113.6	L152 S153 A154 K165 D166 L169 Y173	L152-Y156 HydrophobicContact CD2-CE2 4.45Å; L152-Y156 WeakPolarHBondContact O-CD2 3.33Å; L152-Y156 PolarHBondContact O-N 3.27Å; S153-Y156 PolarHBondContact O-N 2.86Å; A154-Y156 VanDerWaalsContact C-N 3.29Å; A154-Y156 PolarHBondContact O-N 2.92Å; Y156-K165 CarbonylContact O-C 3.55Å; Y156-K165 VanDerWaalsContact O-CA 3.25Å; Y156-K165 WeakPolarHBondContact O-CA 3.32Å; Y156-D166 WeakPolarHBondContact CB-O 3.31Å; Y156-D166 HydrophobicContact CD1-CB 3.9Å; Y156-D166 PolarHBondContact O-N 3.44Å; Y156-L169 HydrophobicContact CD1-CB 4.04Å; Y156-L169 HydrophobicContact CD1-CD1 4.04Å; Y156-L169 HydrophobicContact CD2-CB 4Å; Y156-L169 HydrophobicContact CE1-CB 4.22Å; Y156-L169 HydrophobicContact CE1-CD1 3.49Å; Y156-L169 VanDerWaalsContact CE1-CD1 3.49Å; Y156-L169 HydrophobicContact CE2-CB 4.24Å; Y156-L169 HydrophobicContact CE2-CD1 4.37Å; Y156-L169 HydrophobicContact CG-CB 3.92Å; Y156-Y173 AromaticContact CD2-CD2 3.76Å; Y156-Y173 HydrophobicContact CD2-CD2 3.76Å; Y156-Y173 AromaticContact CD2-CE2 3.95Å; Y156-Y173 HydrophobicContact CD2-CE2 3.95Å; Y156-Y173 AromaticContact CE2-CD2 3.71Å; Y156-Y173 HydrophobicContact CE2-CD2 3.71Å; Y156-Y173 AromaticContact CE2-CE2 3.39Å; Y156-Y173 HydrophobicContact CE2-CE2 3.39Å
157	I	97.1	Very high	95.2	Very high	51 Å²	51	55.9 Å²	55.9	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-71.1	-42.7	171.6	-67.2	167.5	0	0	0	110.6	S153 A154 K165 M167 A170 M192	S153-I157 WeakPolarHBondContact O-CG1 3.05Å; S153-I157 PolarHBondContact O-N 3.09Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-I157 VanDerWaalsContact O-N 3.1Å; I157-K165 WeakPolarHBondContact O-CD 3.45Å; I157-K165 WeakPolarHBondContact O-CE 3.38Å; I157-K165 WeakPolarHBondContact O-CG 3.12Å; I157-M167 HydrophobicContact CG1-CE 4.18Å; I157-M167 HydrophobicContact CG1-SD 4.28Å; I157-M167 HydrophobicContact CG2-CE 4.44Å; I157-A170 HydrophobicContact CD1-CB 4.3Å; I157-A170 HydrophobicContact CG1-CB 3.54Å; I157-M192 HydrophobicContact CD1-SD 4.37Å
158	E	95	Very high	95.2	Very high	123 Å²	123	55.4 Å²	55.4	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-76.6	-42.4	-177.9	-70.8	172.6	-175.6	0	0	111.5	A154 K165	A154-E158 WeakPolarHBondContact O-CB 3.48Å; A154-E158 WeakPolarHBondContact O-CG 3.29Å; A154-E158 PolarHBondContact O-N 3.1Å; E158-K165 WeakPolarHBondContact O-CE 3.3Å; E158-K165 WeakPolarHBondContact O-CG 3.38Å
159	G	91.9	Very high	95.2	Very high	21 Å²	21	57.6 Å²	57.6	22%	0.216	31%	0.314	C	S	.	.			trans	64.1	-172.5	-168.4	0	0	0	0	0	111.9	M155 Q163	M155-G159 WeakPolarHBondContact O-CA 3.26Å; M155-G159 PolarHBondContact O-N 3.42Å; G159-Q163 CarbonylContact C-O 3.43Å; G159-Q163 VanDerWaalsContact CA-O 3.3Å; G159-Q163 WeakPolarHBondContact CA-O 3.38Å
160	S	87.4	Confident	95.2	Very high	38 Å²	38	57.6 Å²	57.6	27%	0.266	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-154.9	170.5	172.5	79.9	0	0	0	0	109.9	K162 Q163	S160-K162 PolarHBondContact O-N 3.25Å; S160-K162 PolarHBondContact OG-N 2.89Å; S160-Q163 PolarHBondContact N-O 3.46Å; S160-Q163 CarbonylContact O-C 2.99Å; S160-Q163 VanDerWaalsContact O-C 3.29Å; S160-Q163 PolarHBondContact O-N 3.45Å; S160-Q163 PolarHBondContact OG-N 2.85Å
161	P	86.1	Confident	95.2	Very high	143 Å²	143	55.9 Å²	55.9	93%	0.929	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.7	175.8	-27.3	36	0	0	0	114.2
162	K	86.3	Confident	95.2	Very high	198 Å²	198	62.5 Å²	62.5	86%	0.861	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.3	179.1	-63.1	-176.4	-178.7	177	0	113.6	S160	S160-K162 PolarHBondContact O-N 3.25Å; S160-K162 PolarHBondContact OG-N 2.89Å
163	Q	86.8	Confident	95.2	Very high	68 Å²	68	64.2 Å²	64.2	32%	0.318	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-149.7	109.1	-176.6	178.9	60	62.4	0	0	109.9	G159 S160	G159-Q163 CarbonylContact C-O 3.43Å; G159-Q163 VanDerWaalsContact CA-O 3.3Å; G159-Q163 WeakPolarHBondContact CA-O 3.38Å; S160-Q163 PolarHBondContact N-O 3.46Å; S160-Q163 CarbonylContact O-C 2.99Å; S160-Q163 VanDerWaalsContact O-C 3.29Å; S160-Q163 PolarHBondContact O-N 3.45Å; S160-Q163 PolarHBondContact OG-N 2.85Å
164	S	92.6	Very high	95.2	Very high	96 Å²	96	64.2 Å²	64.2	67%	0.671	34%	0.336	S	S	*	.			trans	-59.6	151.6	174.8	-57.4	0	0	0	0	111.5
165	K	96.3	Very high	95.2	Very high	141 Å²	141	64.2 Å²	64.2	61%	0.613	33%	0.334	S	S	*	.			trans	-54.2	143.8	169.8	-62.4	-179.9	173.8	-171.5	0	110.4	Y156 I157 E158	Y156-K165 CarbonylContact O-C 3.55Å; Y156-K165 VanDerWaalsContact O-CA 3.25Å; Y156-K165 WeakPolarHBondContact O-CA 3.32Å; I157-K165 WeakPolarHBondContact O-CD 3.45Å; I157-K165 WeakPolarHBondContact O-CE 3.38Å; I157-K165 WeakPolarHBondContact O-CG 3.12Å; E158-K165 WeakPolarHBondContact O-CE 3.3Å; E158-K165 WeakPolarHBondContact O-CG 3.38Å
166	D	97.9	Very high	95.3	Very high	62 Å²	62	68.2 Å²	68.2	33%	0.332	35%	0.348	S	S	.	.			trans	-140.1	95.6	174.2	-172.9	-32.1	0	0	0	108.9	Y156 G168 L169 A170	Y156-D166 WeakPolarHBondContact CB-O 3.31Å; Y156-D166 HydrophobicContact CD1-CB 3.9Å; Y156-D166 PolarHBondContact O-N 3.44Å; D166-G168 PolarHBondContact O-N 2.94Å; D166-G168 WeakPolarHBondContact OD1-CA 3.43Å; D166-G168 PolarHBondContact OD1-N 3.19Å; D166-L169 HydrophobicContact CB-CB 4.13Å; D166-L169 HydrophobicContact CB-CD1 4.26Å; D166-L169 HydrophobicContact CB-CG 4.39Å; D166-L169 PolarHBondContact O-N 3.39Å; D166-L169 PolarHBondContact OD1-N 2.9Å; D166-L169 WeakPolarHBondContact OD2-CD1 3.31Å; D166-L169 WeakPolarHBondContact OD2-CG 3.41Å; D166-A170 WeakPolarHBondContact O-CB 3.2Å; D166-A170 PolarHBondContact O-N 3.45Å
167	M	98.4	Very high	95.4	Very high	53 Å²	53	67.3 Å²	67.3	26%	0.261	35%	0.345	S	S	.	.	H	α-helix	trans	-68.4	-24.6	-176.6	-58.3	-55.6	-75.7	0	0	112.1	I157 L171 M192 D197 G198	I157-M167 HydrophobicContact CG1-CE 4.18Å; I157-M167 HydrophobicContact CG1-SD 4.28Å; I157-M167 HydrophobicContact CG2-CE 4.44Å; M167-L171 WeakPolarHBondContact O-CB 3.34Å; M167-L171 PolarHBondContact O-N 2.85Å; M167-M192 HydrophobicContact CB-CE 4.44Å; M167-M192 HydrophobicContact CE-CE 3.94Å; M167-M192 VanDerWaalsContact O-CE 3.26Å; M167-M192 WeakPolarHBondContact O-CE 3.38Å; M167-D197 HydrophobicContact CE-CB 3.63Å; M167-G198 VanDerWaalsContact C-CA 3.49Å
168	G	98.5	Very high	95.4	Very high	32 Å²	32	65.1 Å²	65.1	33%	0.33	33%	0.334	S	S	.	.	H	α-helix	trans	-69.9	-47.8	176.6	0	0	0	0	0	111.6	D166 L171 R172	D166-G168 PolarHBondContact O-N 2.94Å; D166-G168 WeakPolarHBondContact OD1-CA 3.43Å; D166-G168 PolarHBondContact OD1-N 3.19Å; G168-L171 PolarHBondContact O-N 3.44Å; G168-R172 PolarHBondContact O-N 3.07Å
169	L	98.1	Very high	95.6	Very high	46 Å²	46	65.3 Å²	65.3	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-40.9	172.6	-73	179.1	0	0	0	111.7	Y156 D166 L171 R172 Y173	Y156-L169 HydrophobicContact CD1-CB 4.04Å; Y156-L169 HydrophobicContact CD1-CD1 4.04Å; Y156-L169 HydrophobicContact CD2-CB 4Å; Y156-L169 HydrophobicContact CE1-CB 4.22Å; Y156-L169 HydrophobicContact CE1-CD1 3.49Å; Y156-L169 VanDerWaalsContact CE1-CD1 3.49Å; Y156-L169 HydrophobicContact CE2-CB 4.24Å; Y156-L169 HydrophobicContact CE2-CD1 4.37Å; Y156-L169 HydrophobicContact CG-CB 3.92Å; D166-L169 HydrophobicContact CB-CB 4.13Å; D166-L169 HydrophobicContact CB-CD1 4.26Å; D166-L169 HydrophobicContact CB-CG 4.39Å; D166-L169 PolarHBondContact O-N 3.39Å; D166-L169 PolarHBondContact OD1-N 2.9Å; D166-L169 WeakPolarHBondContact OD2-CD1 3.31Å; D166-L169 WeakPolarHBondContact OD2-CG 3.41Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 2.94Å; L169-R172 WeakPolarHBondContact O-CB 3.42Å; L169-R172 PolarHBondContact O-N 2.94Å; L169-Y173 WeakPolarHBondContact O-CD2 3.03Å; L169-Y173 PolarHBondContact O-N 3.2Å
170	A	98.6	Very high	95.9	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-55.7	-45.6	174.6	0	0	0	0	0	112.3	S153 I157 D166 Y173 A174 M192	S153-A170 WeakPolarHBondContact CB-O 3.02Å; S153-A170 PolarHBondContact OG-O 3.45Å; I157-A170 HydrophobicContact CD1-CB 4.3Å; I157-A170 HydrophobicContact CG1-CB 3.54Å; D166-A170 WeakPolarHBondContact O-CB 3.2Å; D166-A170 PolarHBondContact O-N 3.45Å; A170-Y173 PolarHBondContact O-N 3.36Å; A170-A174 WeakPolarHBondContact O-CB 3.23Å; A170-A174 PolarHBondContact O-N 3.45Å; A170-M192 HydrophobicContact CB-CE 3.69Å
171	L	98.8	Very high	96.4	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-41.1	-180	177.3	57.5	0	0	0	111.2	M167 G168 L169 Y173 A174 T175 A189 M192 Y193 A199	M167-L171 WeakPolarHBondContact O-CB 3.34Å; M167-L171 PolarHBondContact O-N 2.85Å; G168-L171 PolarHBondContact O-N 3.44Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 2.94Å; L171-Y173 PolarHBondContact O-N 2.84Å; L171-A174 PolarHBondContact O-N 3.24Å; L171-T175 WeakPolarHBondContact O-CB 3.48Å; L171-T175 PolarHBondContact O-N 3.38Å; L171-T175 PolarHBondContact O-OG1 3Å; L171-A189 HydrophobicContact CD1-CB 4.18Å; L171-M192 HydrophobicContact CB-CE 3.69Å; L171-M192 HydrophobicContact CB-SD 4.12Å; L171-M192 HydrophobicContact CD1-CB 3.86Å; L171-M192 HydrophobicContact CD1-SD 4.16Å; L171-Y193 HydrophobicContact CD1-CD2 4.01Å; L171-Y193 HydrophobicContact CD1-CE2 3.72Å; L171-Y193 HydrophobicContact CD2-CE1 3.99Å; L171-Y193 HydrophobicContact CD2-CE2 4.22Å; L171-Y193 HydrophobicContact CG-CE2 4.34Å; L171-A199 HydrophobicContact CD2-CB 3.46Å; L171-A199 VanDerWaalsContact CD2-CB 3.46Å
172	R	98.7	Very high	97	Very high	174 Å²	174	60.8 Å²	60.8	66%	0.657	30%	0.298	S	S	*	.	H	α-helix	trans	-58	-49.1	175.7	-175.9	-178.8	177.8	-168.1	-1.1	111.2	G168 L169 T175 R176	G168-R172 PolarHBondContact O-N 3.07Å; L169-R172 WeakPolarHBondContact O-CB 3.42Å; L169-R172 PolarHBondContact O-N 2.94Å; R172-T175 PolarHBondContact O-N 3.21Å; R172-R176 WeakPolarHBondContact O-CB 3.33Å; R172-R176 PolarHBondContact O-N 2.93Å
173	Y	98.8	Very high	97.6	Very high	36 Å²	36	51.9 Å²	51.9	14%	0.141	26%	0.26	C	S	.	.	H	α-helix	trans	-71.1	-35	179.9	-75.8	-61	0	0	0	113	E138 C149 L152 Y156 L169 A170 L171 R176 A177	E138-Y173 PolarHBondContact OE1-OH 2.9Å; C149-Y173 WeakPolarHBondContact O-CB 3.38Å; L152-Y173 HydrophobicContact CB-CD1 4.08Å; L152-Y173 HydrophobicContact CB-CD2 3.91Å; L152-Y173 HydrophobicContact CB-CE1 4.49Å; L152-Y173 HydrophobicContact CB-CE2 4.33Å; L152-Y173 HydrophobicContact CB-CG 3.77Å; L152-Y173 HydrophobicContact CD1-CD1 3.77Å; L152-Y173 HydrophobicContact CD1-CE1 3.54Å; L152-Y173 HydrophobicContact CD1-CE2 4.38Å; L152-Y173 HydrophobicContact CD1-CG 4.29Å; Y156-Y173 AromaticContact CD2-CD2 3.76Å; Y156-Y173 HydrophobicContact CD2-CD2 3.76Å; Y156-Y173 AromaticContact CD2-CE2 3.95Å; Y156-Y173 HydrophobicContact CD2-CE2 3.95Å; Y156-Y173 AromaticContact CE2-CD2 3.71Å; Y156-Y173 HydrophobicContact CE2-CD2 3.71Å; Y156-Y173 AromaticContact CE2-CE2 3.39Å; Y156-Y173 HydrophobicContact CE2-CE2 3.39Å; L169-Y173 WeakPolarHBondContact O-CD2 3.03Å; L169-Y173 PolarHBondContact O-N 3.2Å; A170-Y173 PolarHBondContact O-N 3.36Å; L171-Y173 PolarHBondContact O-N 2.84Å; Y173-R176 PolarHBondContact O-N 3.46Å; Y173-A177 WeakPolarHBondContact O-CB 3.34Å; Y173-A177 PolarHBondContact O-N 2.98Å
174	A	98.9	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-45.1	172.7	0	0	0	0	0	111.6	S153 A170 L171 A177 C178 G185 N188 A189 M192	S153-A174 WeakPolarHBondContact OG-CB 3.34Å; A170-A174 WeakPolarHBondContact O-CB 3.23Å; A170-A174 PolarHBondContact O-N 3.45Å; L171-A174 PolarHBondContact O-N 3.24Å; A174-A177 WeakPolarHBondContact O-CB 3.45Å; A174-A177 PolarHBondContact O-N 3.4Å; A174-C178 PolarHBondContact O-N 2.95Å; A174-G185 CarbonylContact O-C 3.47Å; A174-N188 HydrophobicContact CB-CB 4.19Å; A174-A189 HydrophobicContact CB-CB 3.89Å; A174-M192 HydrophobicContact CB-SD 4.43Å
175	T	98.8	Very high	98.4	Very high	24 Å²	24	52.1 Å²	52.1	15%	0.147	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-44.8	177.3	-55.5	0	0	0	0	110.3	L171 R172 A177 C178 E179	L171-T175 WeakPolarHBondContact O-CB 3.48Å; L171-T175 PolarHBondContact O-N 3.38Å; L171-T175 PolarHBondContact O-OG1 3Å; R172-T175 PolarHBondContact O-N 3.21Å; T175-A177 PolarHBondContact O-N 3.28Å; T175-C178 WeakPolarHBondContact O-CA 3.48Å; T175-C178 VanDerWaalsContact O-CB 3.27Å; T175-C178 WeakPolarHBondContact O-CB 3.35Å; T175-C178 PolarHBondContact O-N 2.81Å; T175-C178 VanDerWaalsContact O-N 3.09Å; T175-E179 WeakPolarHBondContact O-CG 3.49Å; T175-E179 PolarHBondContact O-N 3.48Å
176	R	98.8	Very high	98.5	Very high	98 Å²	98	45.4 Å²	45.4	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-42.4	175.1	-179.1	57.7	176.3	177.7	0.6	112.7	C149 R172 Y173 C178 E179 L180	C149-R176 HydrophobicContact CB-CG 4.38Å; R172-R176 WeakPolarHBondContact O-CB 3.33Å; R172-R176 PolarHBondContact O-N 2.93Å; Y173-R176 PolarHBondContact O-N 3.46Å; R176-C178 VanDerWaalsContact C-N 3.27Å; R176-C178 PolarHBondContact O-N 3.32Å; R176-E179 WeakPolarHBondContact CD-OE2 3.43Å; R176-E179 IonicContact NH1-OE2 3.48Å; R176-E179 PolarHBondContact NH1-OE2 3.47Å; R176-E179 PolarHBondContact O-N 2.91Å; R176-L180 HydrophobicContact CG-CD1 4.2Å; R176-L180 WeakPolarHBondContact O-CG 3.38Å; R176-L180 PolarHBondContact O-N 2.87Å; R176-L180 VanDerWaalsContact O-N 3.1Å
177	A	98.8	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-41.3	174.5	0	0	0	0	0	111	C149 F150 Y173 A174 T175 L180 G181 H182	C149-A177 HydrophobicContact CB-CB 3.67Å; F150-A177 HydrophobicContact CB-CB 4.05Å; Y173-A177 WeakPolarHBondContact O-CB 3.34Å; Y173-A177 PolarHBondContact O-N 2.98Å; A174-A177 WeakPolarHBondContact O-CB 3.45Å; A174-A177 PolarHBondContact O-N 3.4Å; T175-A177 PolarHBondContact O-N 3.28Å; A177-L180 CarbonylContact O-C 3.04Å; A177-L180 PolarHBondContact O-N 2.59Å; A177-G181 PolarHBondContact O-N 3.26Å; A177-H182 HydrophobicContact CB-CB 3.98Å; A177-H182 WeakPolarHBondContact O-CB 3.44Å; A177-H182 PolarHBondContact O-N 2.95Å
178	C	98.8	Very high	98.5	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.034	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-45.3	176	-175.4	0	0	0	0	113.2	A174 T175 R176 L180 G181 C186 L209	A174-C178 PolarHBondContact O-N 2.95Å; T175-C178 WeakPolarHBondContact O-CA 3.48Å; T175-C178 VanDerWaalsContact O-CB 3.27Å; T175-C178 WeakPolarHBondContact O-CB 3.35Å; T175-C178 PolarHBondContact O-N 2.81Å; T175-C178 VanDerWaalsContact O-N 3.09Å; R176-C178 VanDerWaalsContact C-N 3.27Å; R176-C178 PolarHBondContact O-N 3.32Å; C178-L180 PolarHBondContact O-N 3.24Å; C178-G181 WeakPolarHBondContact O-CA 3.5Å; C178-G181 PolarHBondContact O-N 2.88Å; C178-C186 WeakPolarHBondContact CA-SG 3.12Å; C178-C186 HydrophobicContact CB-CB 3.79Å; C178-C186 WeakPolarHBondContact CB-SG 3.26Å; C178-C186 WeakPolarHBondContact SG-CA 3.36Å; C178-C186 WeakPolarHBondContact SG-CB 3.39Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 3.02Å; C178-L209 HydrophobicContact CB-CD2 4.36Å; C178-L209 VanDerWaalsContact SG-CD2 3.59Å
179	E	98.6	Very high	98.5	Very high	127 Å²	127	42.1 Å²	42.1	59%	0.593	20%	0.195	S	C	*	.	H	α-helix	trans	-57.3	-37.1	175.3	-70.3	167.2	-174.5	0	0	111.8	T175 R176 G181	T175-E179 WeakPolarHBondContact O-CG 3.49Å; T175-E179 PolarHBondContact O-N 3.48Å; R176-E179 WeakPolarHBondContact CD-OE2 3.43Å; R176-E179 IonicContact NH1-OE2 3.48Å; R176-E179 PolarHBondContact NH1-OE2 3.47Å; R176-E179 PolarHBondContact O-N 2.91Å; E179-G181 PolarHBondContact O-N 3.3Å
180	L	98.3	Very high	98.6	Very high	56 Å²	56	40.6 Å²	40.6	29%	0.293	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6	175.9	-64.9	170.4	0	0	0	113.5	A146 C149 R176 A177 C178	A146-L180 HydrophobicContact CB-CB 3.48Å; A146-L180 VanDerWaalsContact CB-CB 3.48Å; A146-L180 HydrophobicContact CB-CD1 4.36Å; C149-L180 VanDerWaalsContact SG-CD1 3.56Å; R176-L180 HydrophobicContact CG-CD1 4.2Å; R176-L180 WeakPolarHBondContact O-CG 3.38Å; R176-L180 PolarHBondContact O-N 2.87Å; R176-L180 VanDerWaalsContact O-N 3.1Å; A177-L180 CarbonylContact O-C 3.04Å; A177-L180 PolarHBondContact O-N 2.59Å; C178-L180 PolarHBondContact O-N 3.24Å
181	G	97.9	Very high	98.6	Very high	20 Å²	20	47.4 Å²	47.4	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	15.6	174.8	0	0	0	0	0	115.4	A177 C178 E179 V183	A177-G181 PolarHBondContact O-N 3.26Å; C178-G181 WeakPolarHBondContact O-CA 3.5Å; C178-G181 PolarHBondContact O-N 2.88Å; E179-G181 PolarHBondContact O-N 3.3Å; G181-V183 PolarHBondContact O-N 3.39Å
182	H	98.5	Very high	98.6	Very high	31 Å²	31	47.1 Å²	47.1	14%	0.144	21%	0.213	C	C	.	.			trans	-80.1	112.9	176.3	-161.4	-100.2	0	0	0	111.5	A146 F150 A177 W184 G185 C186	A146-H182 HydrophobicContact CB-CB 3.78Å; F150-H182 AromaticContact CD1-CE1 3.62Å; F150-H182 AromaticContact CD2-CE1 3.79Å; F150-H182 AromaticContact CD2-ND1 3.78Å; F150-H182 AromaticContact CG-CE1 3.34Å; F150-H182 WeakPolarHBondContact CG-CE1 3.33Å; F150-H182 AromaticContact CG-ND1 3.63Å; A177-H182 HydrophobicContact CB-CB 3.98Å; A177-H182 WeakPolarHBondContact O-CB 3.44Å; A177-H182 PolarHBondContact O-N 2.95Å; H182-W184 PolarHBondContact O-N 2.76Å; H182-G185 PolarHBondContact ND1-N 2.92Å; H182-G185 VanDerWaalsContact ND1-N 3.13Å; H182-G185 WeakPolarHBondContact O-CA 3.2Å; H182-G185 PolarHBondContact O-N 3.16Å; H182-C186 PolarHBondContact O-N 3.04Å; H182-C186 VanDerWaalsContact O-N 3.11Å
183	V	98.4	Very high	98.6	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-51	-51.5	-179.8	175.4	0	0	0	0	112.1	G181 G185 C186 A187 L216 H217 E220	G181-V183 PolarHBondContact O-N 3.39Å; V183-G185 VanDerWaalsContact C-N 3.27Å; V183-G185 PolarHBondContact O-N 3.16Å; V183-C186 WeakPolarHBondContact O-CB 3.19Å; V183-C186 PolarHBondContact O-N 3Å; V183-A187 PolarHBondContact O-N 3.32Å; V183-L216 HydrophobicContact CG2-CB 3.58Å; V183-H217 HydrophobicContact CG1-CB 4.05Å; V183-H217 HydrophobicContact CG2-CB 4.16Å; V183-E220 WeakPolarHBondContact CG2-OE2 3.38Å
184	W	98.2	Very high	98.5	Very high	168 Å²	168	44.2 Å²	44.2	64%	0.636	21%	0.205	S	C	*	.	H	α-helix	trans	-71.2	-23.3	-178.4	-57.3	107.8	0	0	0	113.1	F150 H182 N188	F150-W184 HydrophobicContact CD2-CB 3.97Å; F150-W184 HydrophobicContact CE2-CB 3.48Å; F150-W184 VanDerWaalsContact CE2-CB 3.48Å; F150-W184 HydrophobicContact CZ-CB 3.86Å; H182-W184 PolarHBondContact O-N 2.76Å; W184-N188 WeakPolarHBondContact O-CB 3.19Å; W184-N188 PolarHBondContact O-N 2.94Å
185	G	98.5	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-46.6	171.8	0	0	0	0	0	110.9	A174 H182 V183 N188 A189	A174-G185 CarbonylContact O-C 3.47Å; H182-G185 PolarHBondContact ND1-N 2.92Å; H182-G185 VanDerWaalsContact ND1-N 3.13Å; H182-G185 WeakPolarHBondContact O-CA 3.2Å; H182-G185 PolarHBondContact O-N 3.16Å; V183-G185 VanDerWaalsContact C-N 3.27Å; V183-G185 PolarHBondContact O-N 3.16Å; G185-N188 PolarHBondContact O-N 3.47Å; G185-A189 WeakPolarHBondContact O-CB 3.08Å; G185-A189 PolarHBondContact O-N 2.84Å
186	C	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.8	-61.1	0	0	0	0	112.3	C178 H182 V183 N188 A189 S190 A213 L216	C178-C186 WeakPolarHBondContact CA-SG 3.12Å; C178-C186 HydrophobicContact CB-CB 3.79Å; C178-C186 WeakPolarHBondContact CB-SG 3.26Å; C178-C186 WeakPolarHBondContact SG-CA 3.36Å; C178-C186 WeakPolarHBondContact SG-CB 3.39Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 3.02Å; H182-C186 PolarHBondContact O-N 3.04Å; H182-C186 VanDerWaalsContact O-N 3.11Å; V183-C186 WeakPolarHBondContact O-CB 3.19Å; V183-C186 PolarHBondContact O-N 3Å; C186-N188 PolarHBondContact O-N 3.15Å; C186-A189 PolarHBondContact O-N 3.45Å; C186-S190 VanDerWaalsContact O-CB 3.28Å; C186-S190 WeakPolarHBondContact O-CB 3.4Å; C186-S190 PolarHBondContact O-N 3.36Å; C186-A213 HydrophobicContact CB-CB 3.63Å; C186-L216 VanDerWaalsContact SG-CD1 3.52Å
187	A	98.4	Very high	98.4	Very high	35 Å²	35	45.5 Å²	45.5	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-61.9	-42.9	178.9	0	0	0	0	0	112.1	V183 S190 R191 A213	V183-A187 PolarHBondContact O-N 3.32Å; A187-S190 PolarHBondContact O-N 3.03Å; A187-R191 PolarHBondContact O-N 3.25Å; A187-A213 HydrophobicContact CB-CB 4.5Å
188	N	98.1	Very high	98.3	Very high	43 Å²	43	47.3 Å²	47.3	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-49.2	175.9	-83.1	6.9	0	0	0	111.7	F150 A174 W184 G185 C186 S190 R191 M192	F150-N188 VanDerWaalsContact CE2-ND2 3.3Å; F150-N188 WeakPolarHBondContact CE2-ND2 3.49Å; A174-N188 HydrophobicContact CB-CB 4.19Å; W184-N188 WeakPolarHBondContact O-CB 3.19Å; W184-N188 PolarHBondContact O-N 2.94Å; G185-N188 PolarHBondContact O-N 3.47Å; C186-N188 PolarHBondContact O-N 3.15Å; N188-S190 VanDerWaalsContact C-N 3.29Å; N188-S190 PolarHBondContact O-N 2.64Å; N188-R191 PolarHBondContact O-N 3.34Å; N188-M192 VanDerWaalsContact O-CG 3.24Å; N188-M192 WeakPolarHBondContact O-CG 3.5Å; N188-M192 PolarHBondContact O-N 2.94Å
189	A	98.8	Very high	98.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-40.5	178.8	0	0	0	0	0	111.7	L171 A174 G185 C186 M192 Y193 L209	L171-A189 HydrophobicContact CD1-CB 4.18Å; A174-A189 HydrophobicContact CB-CB 3.89Å; G185-A189 WeakPolarHBondContact O-CB 3.08Å; G185-A189 PolarHBondContact O-N 2.84Å; C186-A189 PolarHBondContact O-N 3.45Å; A189-M192 PolarHBondContact O-N 3.4Å; A189-Y193 WeakPolarHBondContact O-CD2 3.48Å; A189-Y193 PolarHBondContact O-N 3.2Å; A189-L209 HydrophobicContact CB-CD1 3.76Å; A189-L209 HydrophobicContact CB-CD2 4.45Å
190	S	98.8	Very high	98.2	Very high	14 Å²	14	51.2 Å²	51.2	10%	0.098	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-50.9	174.1	173.4	0	0	0	0	111.8	C186 A187 N188 M192 Y193 K194 A206	C186-S190 VanDerWaalsContact O-CB 3.28Å; C186-S190 WeakPolarHBondContact O-CB 3.4Å; C186-S190 PolarHBondContact O-N 3.36Å; A187-S190 PolarHBondContact O-N 3.03Å; N188-S190 VanDerWaalsContact C-N 3.29Å; N188-S190 PolarHBondContact O-N 2.64Å; S190-M192 VanDerWaalsContact C-N 3.3Å; S190-M192 PolarHBondContact O-N 2.73Å; S190-Y193 PolarHBondContact O-N 2.91Å; S190-K194 PolarHBondContact O-N 3.03Å; S190-A206 WeakPolarHBondContact CB-O 3.36Å; S190-A206 WeakPolarHBondContact O-CB 3.35Å; S190-A206 PolarHBondContact OG-O 3.19Å
191	R	98.5	Very high	98.2	Very high	144 Å²	144	55.6 Å²	55.6	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-41.3	178.2	-177.2	-178.1	173	-74.9	-1.9	111.5	A187 N188 K194 L195 D197	A187-R191 PolarHBondContact O-N 3.25Å; N188-R191 PolarHBondContact O-N 3.34Å; R191-K194 WeakPolarHBondContact O-CB 3.37Å; R191-K194 PolarHBondContact O-N 2.97Å; R191-L195 HydrophobicContact CG-CD1 3.93Å; R191-L195 HydrophobicContact CG-CG 4.47Å; R191-L195 VanDerWaalsContact NH1-CD1 3.35Å; R191-L195 WeakPolarHBondContact O-CG 3.32Å; R191-L195 PolarHBondContact O-N 2.93Å; R191-D197 IonicContact NH1-OD2 3.22Å
192	M	98.6	Very high	98.2	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-44.9	-179.6	-69.8	177.1	85.4	0	0	112	I157 M167 A170 L171 A174 N188 A189 S190 K194 L195 G196 D197	I157-M192 HydrophobicContact CD1-SD 4.37Å; M167-M192 HydrophobicContact CB-CE 4.44Å; M167-M192 HydrophobicContact CE-CE 3.94Å; M167-M192 VanDerWaalsContact O-CE 3.26Å; M167-M192 WeakPolarHBondContact O-CE 3.38Å; A170-M192 HydrophobicContact CB-CE 3.69Å; L171-M192 HydrophobicContact CB-CE 3.69Å; L171-M192 HydrophobicContact CB-SD 4.12Å; L171-M192 HydrophobicContact CD1-CB 3.86Å; L171-M192 HydrophobicContact CD1-SD 4.16Å; A174-M192 HydrophobicContact CB-SD 4.43Å; N188-M192 VanDerWaalsContact O-CG 3.24Å; N188-M192 WeakPolarHBondContact O-CG 3.5Å; N188-M192 PolarHBondContact O-N 2.94Å; A189-M192 PolarHBondContact O-N 3.4Å; S190-M192 VanDerWaalsContact C-N 3.3Å; S190-M192 PolarHBondContact O-N 2.73Å; M192-K194 VanDerWaalsContact C-N 3.32Å; M192-K194 PolarHBondContact O-N 3.12Å; M192-L195 PolarHBondContact O-N 3.16Å; M192-G196 PolarHBondContact O-N 2.97Å; M192-D197 HydrophobicContact CB-CB 4.1Å; M192-D197 HydrophobicContact CE-CB 4.23Å; M192-D197 HydrophobicContact CG-CB 4.14Å; M192-D197 PolarHBondContact O-N 3.41Å
193	Y	98.8	Very high	98.2	Very high	30 Å²	30	61.8 Å²	61.8	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-34.6	173.5	-83.6	-63	0	0	0	113.2	L171 A189 S190 A199 K201 D202 K205 L209	L171-Y193 HydrophobicContact CD1-CD2 4.01Å; L171-Y193 HydrophobicContact CD1-CE2 3.72Å; L171-Y193 HydrophobicContact CD2-CE1 3.99Å; L171-Y193 HydrophobicContact CD2-CE2 4.22Å; L171-Y193 HydrophobicContact CG-CE2 4.34Å; A189-Y193 WeakPolarHBondContact O-CD2 3.48Å; A189-Y193 PolarHBondContact O-N 3.2Å; S190-Y193 PolarHBondContact O-N 2.91Å; Y193-A199 HydrophobicContact CD1-CB 4.33Å; Y193-A199 HydrophobicContact CE1-CB 3.84Å; Y193-K201 VanDerWaalsContact O-CA 3.27Å; Y193-K201 WeakPolarHBondContact O-CA 3.4Å; Y193-D202 HydrophobicContact CD1-CB 3.94Å; Y193-D202 PolarHBondContact O-N 2.95Å; Y193-K205 HydrophobicContact CD1-CD 4.24Å; Y193-K205 HydrophobicContact CD2-CB 4.43Å; Y193-K205 HydrophobicContact CD2-CD 3.99Å; Y193-K205 HydrophobicContact CD2-CG 3.88Å; Y193-K205 HydrophobicContact CE1-CD 3.84Å; Y193-K205 HydrophobicContact CE2-CD 3.53Å; Y193-K205 VanDerWaalsContact CE2-CE 3.44Å; Y193-K205 HydrophobicContact CE2-CG 3.88Å; Y193-K205 HydrophobicContact CG-CB 4.34Å; Y193-K205 HydrophobicContact CG-CD 4.32Å; Y193-K205 HydrophobicContact CG-CG 4.25Å; Y193-K205 VanDerWaalsContact CZ-CD 3.48Å; Y193-K205 VanDerWaalsContact CZ-CE 3.5Å; Y193-K205 WeakPolarHBondContact OH-CE 3.3Å; Y193-K205 PolarHBondContact OH-NZ 3.3Å; Y193-L209 HydrophobicContact CD2-CD1 3.54Å; Y193-L209 HydrophobicContact CE2-CD1 3.89Å
194	K	98.5	Very high	98.2	Very high	118 Å²	118	68.4 Å²	68.4	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-39.4	174.9	-174.7	177.2	-178.3	177.8	0	112.4	S190 R191 M192 A206	S190-K194 PolarHBondContact O-N 3.03Å; R191-K194 WeakPolarHBondContact O-CB 3.37Å; R191-K194 PolarHBondContact O-N 2.97Å; M192-K194 VanDerWaalsContact C-N 3.32Å; M192-K194 PolarHBondContact O-N 3.12Å; K194-A206 HydrophobicContact CB-CB 4.01Å
195	L	98.1	Very high	98.2	Very high	76 Å²	76	63.8 Å²	63.8	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-86.5	-21.2	-176.9	-65.6	177.9	0	0	0	113.4	R191 M192 K201	R191-L195 HydrophobicContact CG-CD1 3.93Å; R191-L195 HydrophobicContact CG-CG 4.47Å; R191-L195 VanDerWaalsContact NH1-CD1 3.35Å; R191-L195 WeakPolarHBondContact O-CG 3.32Å; R191-L195 PolarHBondContact O-N 2.93Å; M192-L195 PolarHBondContact O-N 3.16Å; L195-K201 WeakPolarHBondContact O-CE 3.48Å
196	G	97.8	Very high	98.2	Very high	28 Å²	28	64 Å²	64	29%	0.289	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	29.5	-171	0	0	0	0	0	112.2	M192 G198 A199	M192-G196 PolarHBondContact O-N 2.97Å; G196-G198 PolarHBondContact O-N 3.4Å; G196-A199 CarbonylContact C-O 3.59Å; G196-A199 WeakPolarHBondContact CA-O 3.35Å
197	D	97.3	Very high	98.2	Very high	46 Å²	46	67.7 Å²	67.7	25%	0.246	34%	0.341	C	S	.	.	S	Bend	trans	-84.2	108.2	179	-76	-23	0	0	0	109.3	M167 R191 M192 A199	M167-D197 HydrophobicContact CE-CB 3.63Å; R191-D197 IonicContact NH1-OD2 3.22Å; M192-D197 HydrophobicContact CB-CB 4.1Å; M192-D197 HydrophobicContact CE-CB 4.23Å; M192-D197 HydrophobicContact CG-CB 4.14Å; M192-D197 PolarHBondContact O-N 3.41Å; D197-A199 PolarHBondContact O-N 3.48Å
198	G	96.1	Very high	98.2	Very high	38 Å²	38	71 Å²	71	39%	0.392	35%	0.35	S	S	.	.	S	Bend	trans	80	-1.5	178.1	0	0	0	0	0	115.5	M167 G196	M167-G198 VanDerWaalsContact C-CA 3.49Å; G196-G198 PolarHBondContact O-N 3.4Å
199	A	97.2	Very high	98.3	Very high	37 Å²	37	69.9 Å²	69.9	31%	0.306	34%	0.344	S	S	.	.	S	Bend	trans	-155.7	169.9	169.9	0	0	0	0	0	109.7	L171 Y193 G196 D197	L171-A199 HydrophobicContact CD2-CB 3.46Å; L171-A199 VanDerWaalsContact CD2-CB 3.46Å; Y193-A199 HydrophobicContact CD1-CB 4.33Å; Y193-A199 HydrophobicContact CE1-CB 3.84Å; G196-A199 CarbonylContact C-O 3.59Å; G196-A199 WeakPolarHBondContact CA-O 3.35Å; D197-A199 PolarHBondContact O-N 3.48Å
200	E	98.1	Very high	98.2	Very high	177 Å²	177	73.6 Å²	73.6	83%	0.827	36%	0.36	S	S	*	.			trans	-61.6	153.6	168	-66.7	-174.2	170.4	0	0	111.2	D202	E200-D202 PolarHBondContact O-N 3.29Å
201	K	98.4	Very high	98.2	Very high	148 Å²	148	76.3 Å²	76.3	64%	0.643	37%	0.374	S	S	*	.			trans	-61.6	130.4	176.8	-72.8	-176.3	177.5	179	0	110.4	Y193 L195	Y193-K201 VanDerWaalsContact O-CA 3.27Å; Y193-K201 WeakPolarHBondContact O-CA 3.4Å; L195-K201 WeakPolarHBondContact O-CE 3.48Å
202	D	98.6	Very high	98.2	Very high	64 Å²	64	73.3 Å²	73.3	34%	0.342	36%	0.363	S	S	.	.			trans	-140.1	93.2	176.9	-172.6	-21.7	0	0	0	109.5	Y193 E200 K204 K205 A206	Y193-D202 HydrophobicContact CD1-CB 3.94Å; Y193-D202 PolarHBondContact O-N 2.95Å; E200-D202 PolarHBondContact O-N 3.29Å; D202-K204 VanDerWaalsContact C-N 3.27Å; D202-K204 PolarHBondContact O-N 3.05Å; D202-K204 PolarHBondContact OD1-N 3.01Å; D202-K204 VanDerWaalsContact OD1-N 3.13Å; D202-K205 HydrophobicContact CB-CB 3.99Å; D202-K205 PolarHBondContact O-N 3.3Å; D202-K205 PolarHBondContact OD1-N 3.31Å; D202-K205 WeakPolarHBondContact OD2-CB 3.24Å; D202-A206 VanDerWaalsContact O-CB 3.32Å; D202-A206 WeakPolarHBondContact O-CB 3.39Å; D202-A206 PolarHBondContact O-N 2.83Å
203	E	98.4	Very high	98.2	Very high	117 Å²	117	73.7 Å²	73.7	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-33	-179.3	-69.6	-68.9	170.9	0	0	112.2	E207	E203-E207 WeakPolarHBondContact O-CB 3.34Å; E203-E207 PolarHBondContact O-N 2.88Å
204	K	98.6	Very high	98.2	Very high	150 Å²	150	78.2 Å²	78.2	65%	0.652	39%	0.386	S	S	*	.	H	α-helix	trans	-67.3	-49.5	179.3	-176.3	-176.3	174.6	-170	0	109.9	D202 A206 E207 E208	D202-K204 VanDerWaalsContact C-N 3.27Å; D202-K204 PolarHBondContact O-N 3.05Å; D202-K204 PolarHBondContact OD1-N 3.01Å; D202-K204 VanDerWaalsContact OD1-N 3.13Å; K204-A206 VanDerWaalsContact C-N 3.32Å; K204-A206 PolarHBondContact O-N 3.2Å; K204-E207 PolarHBondContact O-N 3.34Å; K204-E208 WeakPolarHBondContact CE-OE1 3Å; K204-E208 WeakPolarHBondContact O-CG 3.22Å; K204-E208 PolarHBondContact O-N 2.95Å
205	K	98.3	Very high	98.2	Very high	71 Å²	71	77 Å²	77	31%	0.309	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-36.6	178.2	-166.3	164.4	-175.1	-177.8	0	112.1	Y193 D202 E207 E208 L209	Y193-K205 HydrophobicContact CD1-CD 4.24Å; Y193-K205 HydrophobicContact CD2-CB 4.43Å; Y193-K205 HydrophobicContact CD2-CD 3.99Å; Y193-K205 HydrophobicContact CD2-CG 3.88Å; Y193-K205 HydrophobicContact CE1-CD 3.84Å; Y193-K205 HydrophobicContact CE2-CD 3.53Å; Y193-K205 VanDerWaalsContact CE2-CE 3.44Å; Y193-K205 HydrophobicContact CE2-CG 3.88Å; Y193-K205 HydrophobicContact CG-CB 4.34Å; Y193-K205 HydrophobicContact CG-CD 4.32Å; Y193-K205 HydrophobicContact CG-CG 4.25Å; Y193-K205 VanDerWaalsContact CZ-CD 3.48Å; Y193-K205 VanDerWaalsContact CZ-CE 3.5Å; Y193-K205 WeakPolarHBondContact OH-CE 3.3Å; Y193-K205 PolarHBondContact OH-NZ 3.3Å; D202-K205 HydrophobicContact CB-CB 3.99Å; D202-K205 PolarHBondContact O-N 3.3Å; D202-K205 PolarHBondContact OD1-N 3.31Å; D202-K205 WeakPolarHBondContact OD2-CB 3.24Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 3.22Å; K205-E208 PolarHBondContact O-N 2.89Å; K205-L209 HydrophobicContact CG-CD1 4.11Å; K205-L209 WeakPolarHBondContact O-CB 3.21Å; K205-L209 WeakPolarHBondContact O-CD1 3.32Å; K205-L209 WeakPolarHBondContact O-CG 3.45Å; K205-L209 PolarHBondContact O-N 3.43Å
206	A	98.7	Very high	98.1	Very high	4 Å²	4	73.5 Å²	73.5	3%	0.033	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-45.7	172	0	0	0	0	0	111.7	S190 K194 D202 K204 K210	S190-A206 WeakPolarHBondContact CB-O 3.36Å; S190-A206 WeakPolarHBondContact O-CB 3.35Å; S190-A206 PolarHBondContact OG-O 3.19Å; K194-A206 HydrophobicContact CB-CB 4.01Å; D202-A206 VanDerWaalsContact O-CB 3.32Å; D202-A206 WeakPolarHBondContact O-CB 3.39Å; D202-A206 PolarHBondContact O-N 2.83Å; K204-A206 VanDerWaalsContact C-N 3.32Å; K204-A206 PolarHBondContact O-N 3.2Å; A206-K210 WeakPolarHBondContact O-CB 3.26Å; A206-K210 PolarHBondContact O-N 3Å
207	E	98.7	Very high	98.1	Very high	79 Å²	79	77.3 Å²	77.3	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-42.9	178.4	-169.9	60.3	-150.7	0	0	112.4	E203 K204 K205 K210 N211	E203-E207 WeakPolarHBondContact O-CB 3.34Å; E203-E207 PolarHBondContact O-N 2.88Å; K204-E207 PolarHBondContact O-N 3.34Å; K205-E207 VanDerWaalsContact C-N 3.34Å; K205-E207 PolarHBondContact O-N 3.22Å; E207-K210 VanDerWaalsContact CD-CE 3.43Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.4Å; E207-K210 WeakPolarHBondContact OE1-CE 3.31Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 2.97Å; E207-K210 WeakPolarHBondContact OE2-CE 3.04Å; E207-K210 IonicContact OE2-NZ 2.57Å; E207-K210 PolarHBondContact OE2-NZ 3.26Å; E207-N211 PolarHBondContact O-N 2.95Å; E207-N211 PolarHBondContact O-ND2 3.24Å; E207-N211 PolarHBondContact OE1-ND2 3.37Å
208	E	98.7	Very high	98	Very high	104 Å²	104	80.7 Å²	80.7	49%	0.486	39%	0.387	S	S	.	.	H	α-helix	trans	-57.3	-50.9	175.8	-73.6	171.9	-176.9	0	0	111.5	K204 K205 K210 N211 R212	K204-E208 WeakPolarHBondContact CE-OE1 3Å; K204-E208 WeakPolarHBondContact O-CG 3.22Å; K204-E208 PolarHBondContact O-N 2.95Å; K205-E208 PolarHBondContact O-N 2.89Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.13Å; E208-N211 PolarHBondContact O-N 3.11Å; E208-R212 PolarHBondContact O-N 3.37Å
209	L	98.8	Very high	97.9	Very high	20 Å²	20	81.8 Å²	81.8	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-36.5	178.6	-71.3	164.7	0	0	0	112.4	C178 A189 Y193 K205 R212 A213	C178-L209 HydrophobicContact CB-CD2 4.36Å; C178-L209 VanDerWaalsContact SG-CD2 3.59Å; A189-L209 HydrophobicContact CB-CD1 3.76Å; A189-L209 HydrophobicContact CB-CD2 4.45Å; Y193-L209 HydrophobicContact CD2-CD1 3.54Å; Y193-L209 HydrophobicContact CE2-CD1 3.89Å; K205-L209 HydrophobicContact CG-CD1 4.11Å; K205-L209 WeakPolarHBondContact O-CB 3.21Å; K205-L209 WeakPolarHBondContact O-CD1 3.32Å; K205-L209 WeakPolarHBondContact O-CG 3.45Å; K205-L209 PolarHBondContact O-N 3.43Å; L209-R212 PolarHBondContact O-N 3.23Å; L209-A213 PolarHBondContact O-N 3.02Å
210	K	98.6	Very high	97.6	Very high	77 Å²	77	83.2 Å²	83.2	34%	0.335	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-43.9	174.7	-171.4	-174	73.6	-171.7	0	111.1	A206 E207 E208 A213 K214	A206-K210 WeakPolarHBondContact O-CB 3.26Å; A206-K210 PolarHBondContact O-N 3Å; E207-K210 VanDerWaalsContact CD-CE 3.43Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.4Å; E207-K210 WeakPolarHBondContact OE1-CE 3.31Å; E207-K210 IonicContact OE1-NZ 2.74Å; E207-K210 PolarHBondContact OE1-NZ 2.97Å; E207-K210 WeakPolarHBondContact OE2-CE 3.04Å; E207-K210 IonicContact OE2-NZ 2.57Å; E207-K210 PolarHBondContact OE2-NZ 3.26Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.13Å; K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 3.32Å; K210-K214 WeakPolarHBondContact O-CG 3.45Å; K210-K214 PolarHBondContact O-N 2.88Å; K210-K214 VanDerWaalsContact O-N 3.16Å
211	N	98.6	Very high	97.3	Very high	71 Å²	71	80.6 Å²	80.6	38%	0.38	37%	0.368	S	S	.	.	H	α-helix	trans	-68.8	-38.2	178.9	-69.6	-28.5	0	0	0	111.4	E207 E208 A213 K214 E215	E207-N211 PolarHBondContact O-N 2.95Å; E207-N211 PolarHBondContact O-ND2 3.24Å; E207-N211 PolarHBondContact OE1-ND2 3.37Å; E208-N211 PolarHBondContact O-N 3.11Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 3.2Å; N211-K214 PolarHBondContact O-N 3.03Å; N211-E215 PolarHBondContact O-N 3.14Å
212	R	98.4	Very high	96.9	Very high	82 Å²	82	77.7 Å²	77.7	31%	0.309	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-42	171.1	-177.7	57.8	179.8	154	1.8	112.6	E208 L209 K214 E215 L216	E208-R212 PolarHBondContact O-N 3.37Å; L209-R212 PolarHBondContact O-N 3.23Å; R212-K214 VanDerWaalsContact C-N 3.33Å; R212-K214 PolarHBondContact O-N 2.96Å; R212-E215 WeakPolarHBondContact CD-OE2 3.03Å; R212-E215 IonicContact CZ-OE2 2.6Å; R212-E215 IonicContact NH1-OE1 3.15Å; R212-E215 PolarHBondContact NH1-OE1 3.38Å; R212-E215 IonicContact NH1-OE2 2.9Å; R212-E215 PolarHBondContact NH1-OE2 2.89Å; R212-E215 PolarHBondContact O-N 3.32Å; R212-L216 HydrophobicContact CG-CD1 4.07Å; R212-L216 WeakPolarHBondContact O-CG 3.47Å; R212-L216 PolarHBondContact O-N 3.37Å
213	A	98.4	Very high	96.4	Very high	11 Å²	11	81.5 Å²	81.5	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-59.2	-43.8	175.8	0	0	0	0	0	111.9	C186 A187 L209 K210 N211 L216 H217	C186-A213 HydrophobicContact CB-CB 3.63Å; A187-A213 HydrophobicContact CB-CB 4.5Å; L209-A213 PolarHBondContact O-N 3.02Å; K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 3.32Å; N211-A213 VanDerWaalsContact C-N 3.34Å; N211-A213 PolarHBondContact O-N 3.2Å; A213-L216 PolarHBondContact O-N 2.86Å; A213-H217 WeakPolarHBondContact O-CB 3.09Å; A213-H217 PolarHBondContact O-N 3.43Å
214	K	98.3	Very high	95.5	Very high	124 Å²	124	82.8 Å²	82.8	54%	0.539	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-43.7	176.8	-68.4	173.5	-178.1	174.6	0	112.1	K210 N211 R212 H217 F218	K210-K214 WeakPolarHBondContact O-CG 3.45Å; K210-K214 PolarHBondContact O-N 2.88Å; K210-K214 VanDerWaalsContact O-N 3.16Å; N211-K214 PolarHBondContact O-N 3.03Å; R212-K214 VanDerWaalsContact C-N 3.33Å; R212-K214 PolarHBondContact O-N 2.96Å; K214-H217 PolarHBondContact O-N 2.89Å; K214-F218 WeakPolarHBondContact O-CB 3.46Å; K214-F218 PolarHBondContact O-N 2.87Å
215	E	98.1	Very high	94.4	Very high	92 Å²	92	81.6 Å²	81.6	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-48.8	178.1	-169.4	-158.8	162.2	0	0	111.3	N211 R212 H217 F218 Q219	N211-E215 PolarHBondContact O-N 3.14Å; R212-E215 WeakPolarHBondContact CD-OE2 3.03Å; R212-E215 IonicContact CZ-OE2 2.6Å; R212-E215 IonicContact NH1-OE1 3.15Å; R212-E215 PolarHBondContact NH1-OE1 3.38Å; R212-E215 IonicContact NH1-OE2 2.9Å; R212-E215 PolarHBondContact NH1-OE2 2.89Å; R212-E215 PolarHBondContact O-N 3.32Å; E215-H217 VanDerWaalsContact C-N 3.34Å; E215-H217 PolarHBondContact O-N 3.44Å; E215-F218 PolarHBondContact O-N 2.04Å; E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 2.97Å; E215-Q219 PolarHBondContact OE1-NE2 3.42Å
216	L	97	Very high	93.1	Very high	4 Å²	4	85.6 Å²	85.6	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-60.4	-43.7	176.8	-75.6	167.8	0	0	0	111.9	V183 C186 R212 A213 F218 Q219 E220	V183-L216 HydrophobicContact CG2-CB 3.58Å; C186-L216 VanDerWaalsContact SG-CD1 3.52Å; R212-L216 HydrophobicContact CG-CD1 4.07Å; R212-L216 WeakPolarHBondContact O-CG 3.47Å; R212-L216 PolarHBondContact O-N 3.37Å; A213-L216 PolarHBondContact O-N 2.86Å; L216-F218 VanDerWaalsContact C-N 3.32Å; L216-F218 PolarHBondContact O-N 2.83Å; L216-Q219 PolarHBondContact O-N 3.46Å; L216-E220 WeakPolarHBondContact O-CG 3.38Å; L216-E220 PolarHBondContact O-N 2.99Å
217	H	96.2	Very high	90.6	Very high	108 Å²	108	94.6 Å²	94.6	50%	0.5	43%	0.429	S	S	.	.	H	α-helix	trans	-62.5	-40.3	178	-175.9	57.9	0	0	0	112	V183 A213 K214 E215 E220 K221	V183-H217 HydrophobicContact CG1-CB 4.05Å; V183-H217 HydrophobicContact CG2-CB 4.16Å; A213-H217 WeakPolarHBondContact O-CB 3.09Å; A213-H217 PolarHBondContact O-N 3.43Å; K214-H217 PolarHBondContact O-N 2.89Å; E215-H217 VanDerWaalsContact C-N 3.34Å; E215-H217 PolarHBondContact O-N 3.44Å; H217-E220 PolarHBondContact O-N 3.11Å; H217-K221 PolarHBondContact O-N 3.49Å
218	F	95.9	Very high	88.4	Confident	117 Å²	117	94.4 Å²	94.4	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-46.4	173.9	-178.6	-98.5	0	0	0	111.5	K214 E215 L216 E220 K221 E222	K214-F218 WeakPolarHBondContact O-CB 3.46Å; K214-F218 PolarHBondContact O-N 2.87Å; E215-F218 PolarHBondContact O-N 2.04Å; L216-F218 VanDerWaalsContact C-N 3.32Å; L216-F218 PolarHBondContact O-N 2.83Å; F218-E220 VanDerWaalsContact C-N 3.33Å; F218-E220 PolarHBondContact O-N 3.15Å; F218-K221 PolarHBondContact O-N 3.5Å; F218-E222 HydrophobicContact CD1-CG 4.23Å; F218-E222 HydrophobicContact CE1-CG 3.78Å; F218-E222 WeakPolarHBondContact CE1-OE1 3.44Å; F218-E222 HydrophobicContact CE2-CG 4.41Å; F218-E222 HydrophobicContact CZ-CG 3.87Å; F218-E222 WeakPolarHBondContact CZ-OE1 3.19Å; F218-E222 PolarHBondContact O-N 3.44Å
219	Q	93.9	Very high	85.6	Confident	61 Å²	61	101.2 Å²	101.2	29%	0.285	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-35.7	177	-70.7	170.6	4.4	0	0	113.3	E215 L216 R223	E215-Q219 WeakPolarHBondContact O-CG 3.49Å; E215-Q219 PolarHBondContact O-N 2.97Å; E215-Q219 PolarHBondContact OE1-NE2 3.42Å; L216-Q219 PolarHBondContact O-N 3.46Å; Q219-R223 WeakPolarHBondContact O-CB 3.3Å; Q219-R223 WeakPolarHBondContact O-CG 3.32Å; Q219-R223 PolarHBondContact O-N 3.34Å; Q219-R223 VanDerWaalsContact O-N 3.16Å; Q219-R223 PolarHBondContact O-NE 3.47Å; Q219-R223 VanDerWaalsContact O-NE 3.08Å
220	E	91.6	Very high	84.9	Confident	67 Å²	67	105.3 Å²	105.3	31%	0.313	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-45.3	173.3	-75.6	177.5	169.5	0	0	111.3	V183 L216 H217 F218 R223 Q224	V183-E220 WeakPolarHBondContact CG2-OE2 3.38Å; L216-E220 WeakPolarHBondContact O-CG 3.38Å; L216-E220 PolarHBondContact O-N 2.99Å; H217-E220 PolarHBondContact O-N 3.11Å; F218-E220 VanDerWaalsContact C-N 3.33Å; F218-E220 PolarHBondContact O-N 3.15Å; E220-R223 PolarHBondContact O-N 2.75Å; E220-Q224 WeakPolarHBondContact O-CG 3.47Å; E220-Q224 PolarHBondContact O-N 3.49Å
221	K	90.8	Very high	84.2	Confident	122 Å²	122	106.7 Å²	106.7	53%	0.53	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-44	178	-171.4	177.6	179.9	-179.4	0	112.1	H217 F218 R223 Q224 L225	H217-K221 PolarHBondContact O-N 3.49Å; F218-K221 PolarHBondContact O-N 3.5Å; K221-R223 VanDerWaalsContact C-N 3.33Å; K221-R223 PolarHBondContact O-N 2.04Å; K221-Q224 PolarHBondContact O-N 3.01Å; K221-L225 HydrophobicContact CG-CD1 4.43Å; K221-L225 WeakPolarHBondContact O-CG 2.91Å; K221-L225 PolarHBondContact O-N 3.11Å; K221-L225 VanDerWaalsContact O-N 3.09Å
222	E	91.4	Very high	83.4	Confident	86 Å²	86	108.7 Å²	108.7	40%	0.402	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-39.7	175.8	-73.4	-165.1	138.7	0	0	112.6	F218 Q224 L225 K226	F218-E222 HydrophobicContact CD1-CG 4.23Å; F218-E222 HydrophobicContact CE1-CG 3.78Å; F218-E222 WeakPolarHBondContact CE1-OE1 3.44Å; F218-E222 HydrophobicContact CE2-CG 4.41Å; F218-E222 HydrophobicContact CZ-CG 3.87Å; F218-E222 WeakPolarHBondContact CZ-OE1 3.19Å; F218-E222 PolarHBondContact O-N 3.44Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.94Å; E222-L225 PolarHBondContact O-N 3.4Å; E222-K226 PolarHBondContact O-N 3.45Å
223	R	87.7	Confident	82.5	Confident	145 Å²	145	110.3 Å²	110.3	55%	0.547	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-39.3	175.4	-79.9	-179.6	-81.4	179.7	-3.7	112.1	Q219 E220 K221 L225 K226	Q219-R223 WeakPolarHBondContact O-CB 3.3Å; Q219-R223 WeakPolarHBondContact O-CG 3.32Å; Q219-R223 PolarHBondContact O-N 3.34Å; Q219-R223 VanDerWaalsContact O-N 3.16Å; Q219-R223 PolarHBondContact O-NE 3.47Å; Q219-R223 VanDerWaalsContact O-NE 3.08Å; E220-R223 PolarHBondContact O-N 2.75Å; K221-R223 VanDerWaalsContact C-N 3.33Å; K221-R223 PolarHBondContact O-N 2.04Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-K226 PolarHBondContact O-N 2.73Å
224	Q	79.2	Confident	81.5	Confident	144 Å²	144	116.5 Å²	116.5	67%	0.673	55%	0.553	S	S	*	*	H	α-helix	trans	-65.2	-36.3	176.3	-71.3	173.9	4.7	0	0	112.4	E220 K221 E222 K226 F227	E220-Q224 WeakPolarHBondContact O-CG 3.47Å; E220-Q224 PolarHBondContact O-N 3.49Å; K221-Q224 PolarHBondContact O-N 3.01Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.94Å; Q224-K226 VanDerWaalsContact C-N 3.29Å; Q224-K226 PolarHBondContact O-N 3.33Å; Q224-F227 PolarHBondContact O-N 2.87Å
225	L	75.8	Confident	80.4	Confident	125 Å²	125	116 Å²	116	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-69.6	-23.5	179.2	-68.9	169.3	0	0	0	113.6	K221 E222 R223	K221-L225 HydrophobicContact CG-CD1 4.43Å; K221-L225 WeakPolarHBondContact O-CG 2.91Å; K221-L225 PolarHBondContact O-N 3.11Å; K221-L225 VanDerWaalsContact O-N 3.09Å; E222-L225 PolarHBondContact O-N 3.4Å; R223-L225 VanDerWaalsContact C-N 3.33Å
226	K	69.8	Low	79.1	Confident	154 Å²	154	117.7 Å²	117.7	67%	0.67	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-11.6	180	-69.2	-178.2	-178.8	-176.1	0	114.6	E222 R223 Q224 G228	E222-K226 PolarHBondContact O-N 3.45Å; R223-K226 PolarHBondContact O-N 2.73Å; Q224-K226 VanDerWaalsContact C-N 3.29Å; Q224-K226 PolarHBondContact O-N 3.33Å; K226-G228 PolarHBondContact O-N 3.23Å
227	F	47.9	Very low	77.7	Confident	194 Å²	194	126.5 Å²	126.5	85%	0.851	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	80.1	173.3	-87.2	-88.3	0	0	0	109.4	Q224	Q224-F227 PolarHBondContact O-N 2.87Å
228	G	50.8	Low	76.2	Confident	75 Å²	75	128 Å²	128	77%	0.773	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	166.9	-2.7	-177.3	0	0	0	0	0	115.5	K226	K226-G228 PolarHBondContact O-N 3.23Å
229	E	39.8	Very low	74.4	Confident	246 Å²	246	129 Å²	129	100%	1.15	62%	0.623	S	S	*	*			trans	-105.4	0	170.4	-65	-177.7	161.7	0	0	111.2

Retrieved 229 of 229 residues in 1175.8 ms (Link to these results)

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