G4VC14_SCHMA Loading...

Sugar phosphate phosphatase

Metal-dependent phosphatase that shows phosphatase activity against several substrates, including fructose-1-phosphate and fructose-6-phosphate. Its preference for fructose-1-phosphate, a strong glycating agent that causes DNA damage rather than a canonical yeast metabolite, suggests a damage-control function in hexose phosphate metabolism. Has also been shown to have O-methyltransferase activity that methylates glutamate residues of target proteins to form gamma-glutamyl methyl ester residues. Possibly methylates PCNA, suggesting it is involved in the DNA damage response.

AlphaFold DB , UniProt , Accession G4VC14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 506 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	29.9	Very low	200 Å²	200	145.1 Å²	145.1	99%	0.985	80%	0.802	S	S	*	*				0	96.9	0	-82.1	165.9	167.3	0	0	105.8	C3 Q354	M1-C3 PolarHBondContact O-N 3.34Å; M1-Q354 HydrophobicContact CE-CG 4.12Å; M1-Q354 HydrophobicContact SD-CG 4.27Å
2	T	26.8	Very low	30.2	Very low	125 Å²	125	138.8 Å²	138.8	77%	0.767	78%	0.783	S	S	*	*			trans	-69.3	117.5	165.9	38.6	0	0	0	0	105.9	D4	T2-D4 PolarHBondContact O-N 3.18Å
3	C	28.8	Very low	30.6	Very low	118 Å²	118	135.8 Å²	135.8	80%	0.797	76%	0.764	S	S	*	*			trans	-71.4	105.5	169.3	-77.1	0	0	0	0	106.5	M1 L5	M1-C3 PolarHBondContact O-N 3.34Å; C3-L5 PolarHBondContact O-N 3.29Å
4	D	29.4	Very low	31.2	Very low	132 Å²	132	128.4 Å²	128.4	71%	0.706	72%	0.723	S	S	*	*			trans	-63.3	117.5	171.6	-66.9	-40.9	0	0	0	108.1	T2 E6	T2-D4 PolarHBondContact O-N 3.18Å; D4-E6 PolarHBondContact O-N 2.86Å
5	L	29.3	Very low	31.6	Very low	181 Å²	181	124.5 Å²	124.5	95%	0.948	71%	0.708	S	S	*	*			trans	-74.6	80.1	171.1	-71.4	161.8	0	0	0	107.2	C3	C3-L5 PolarHBondContact O-N 3.29Å
6	E	29.6	Very low	31.8	Very low	167 Å²	167	126.4 Å²	126.4	78%	0.78	71%	0.709	S	S	*	*			trans	-75.5	128.3	171.5	-76.3	-174.4	159.9	0	0	110.7	D4	D4-E6 PolarHBondContact O-N 2.86Å
7	D	30.8	Very low	32	Very low	149 Å²	149	126.9 Å²	126.9	80%	0.797	70%	0.704	S	S	*	*			trans	57.1	91	158.2	-62.2	-23.6	0	0	0	119.2	P9	D7-P9 WeakPolarHBondContact O-CD 3.22Å
8	V	26.8	Very low	32.1	Very low	144 Å²	144	121.1 Å²	121.1	87%	0.873	67%	0.672	S	S	*	*			trans	-71.1	115.9	156	-179.6	0	0	0	0	108.2
9	P	30.9	Very low	32.1	Very low	90 Å²	90	120.5 Å²	120.5	58%	0.584	68%	0.676	S	S	*	*			trans	-71.1	153.6	177.2	22.9	-22	0	0	0	111.5	D7	D7-P9 WeakPolarHBondContact O-CD 3.22Å
10	P	29.6	Very low	32.5	Very low	125 Å²	125	117.3 Å²	117.3	81%	0.812	66%	0.655	S	S	*	*			trans	-66.7	142.1	-172	25.9	-33.2	0	0	0	112.9	A12	P10-A12 PolarHBondContact O-N 2.93Å; P10-A12 VanDerWaalsContact O-N 3.12Å
11	E	32.3	Very low	32.5	Very low	165 Å²	165	122.1 Å²	122.1	77%	0.771	66%	0.664	S	S	*	*			trans	-43.9	105.5	-177.3	-66.3	169.3	165.5	0	0	112.8
12	A	33.8	Very low	32.7	Very low	69 Å²	69	117.2 Å²	117.2	57%	0.57	64%	0.638	S	S	*	*			trans	-80.1	131.2	156.7	0	0	0	0	0	107.4	P10 V14	P10-A12 PolarHBondContact O-N 2.93Å; P10-A12 VanDerWaalsContact O-N 3.12Å; A12-V14 VanDerWaalsContact C-N 3.29Å; A12-V14 VanDerWaalsContact O-CG2 3.22Å; A12-V14 WeakPolarHBondContact O-CG2 3.43Å; A12-V14 PolarHBondContact O-N 3.24Å
13	D	34.8	Very low	33.1	Very low	101 Å²	101	116.3 Å²	116.3	54%	0.54	63%	0.627	S	S	.	*			trans	-63.6	87	178.3	-169.8	-5.6	0	0	0	110.1	S15 Q16	D13-S15 PolarHBondContact O-N 3.28Å; D13-S15 VanDerWaalsContact O-N 3.12Å; D13-S15 PolarHBondContact OD1-OG 3.28Å; D13-Q16 PolarHBondContact O-N 3.06Å
14	V	39.8	Very low	33.5	Very low	31 Å²	31	115.9 Å²	115.9	19%	0.188	62%	0.623	C	S	.	*	H	α-helix	trans	-60.2	-22.9	-175.1	-172.3	0	0	0	0	111.1	A12 Q16 T102 L106	A12-V14 VanDerWaalsContact C-N 3.29Å; A12-V14 VanDerWaalsContact O-CG2 3.22Å; A12-V14 WeakPolarHBondContact O-CG2 3.43Å; A12-V14 PolarHBondContact O-N 3.24Å; V14-Q16 VanDerWaalsContact C-N 3.29Å; V14-Q16 PolarHBondContact O-N 3.02Å; V14-T102 HydrophobicContact CG2-CG2 3.94Å; V14-L106 HydrophobicContact CG1-CD1 4.37Å
15	S	36.9	Very low	34.2	Very low	71 Å²	71	111.9 Å²	111.9	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-66.5	-24.6	-174.4	75.4	0	0	0	0	114.4	D13	D13-S15 PolarHBondContact O-N 3.28Å; D13-S15 VanDerWaalsContact O-N 3.12Å; D13-S15 PolarHBondContact OD1-OG 3.28Å
16	Q	34.1	Very low	35	Very low	155 Å²	155	106 Å²	106	72%	0.724	58%	0.577	S	S	*	*	H	α-helix	trans	-100.7	-17.7	-175.6	-67	-169	0.2	0	0	114.8	D13 V14	D13-Q16 PolarHBondContact O-N 3.06Å; V14-Q16 VanDerWaalsContact C-N 3.29Å; V14-Q16 PolarHBondContact O-N 3.02Å
17	Q	34.7	Very low	35.8	Very low	134 Å²	134	104 Å²	104	63%	0.626	58%	0.581	S	S	*	*	H	α-helix	trans	-92.1	-12.2	-173.5	-77.3	-174.8	-7.1	0	0	114.9	C19	Q17-C19 VanDerWaalsContact C-N 3.26Å; Q17-C19 PolarHBondContact O-N 3.03Å
18	V	34.1	Very low	37.4	Very low	22 Å²	22	104 Å²	104	13%	0.133	58%	0.576	C	S	.	*			trans	-82.5	72.4	176.9	-162.4	0	0	0	0	110.2	F20	V18-F20 HydrophobicContact CB-CE2 4.17Å; V18-F20 HydrophobicContact CB-CZ 4.27Å; V18-F20 HydrophobicContact CG1-CD1 3.87Å; V18-F20 HydrophobicContact CG1-CD2 3.98Å; V18-F20 HydrophobicContact CG1-CE1 3.45Å; V18-F20 VanDerWaalsContact CG1-CE1 3.45Å; V18-F20 HydrophobicContact CG1-CE2 3.56Å; V18-F20 HydrophobicContact CG1-CG 4.13Å; V18-F20 HydrophobicContact CG1-CZ 3.29Å; V18-F20 WeakPolarHBondContact O-CD2 3.24Å; V18-F20 PolarHBondContact O-N 3.13Å; V18-F20 VanDerWaalsContact O-N 3.09Å
19	C	33.4	Very low	39.6	Very low	110 Å²	110	100 Å²	100	74%	0.743	55%	0.549	S	S	*	.			trans	-75.1	91.1	168.1	-92.3	0	0	0	0	109.5	Q17 Y21	Q17-C19 VanDerWaalsContact C-N 3.26Å; Q17-C19 PolarHBondContact O-N 3.03Å; C19-Y21 PolarHBondContact O-N 3.4Å
20	F	39.4	Very low	42.3	Very low	57 Å²	57	97 Å²	97	25%	0.25	53%	0.531	C	S	.	.			trans	-66.4	118.4	179.8	-67.7	-75.7	0	0	0	113.4	V18 F22 H109 L110 V113	V18-F20 HydrophobicContact CB-CE2 4.17Å; V18-F20 HydrophobicContact CB-CZ 4.27Å; V18-F20 HydrophobicContact CG1-CD1 3.87Å; V18-F20 HydrophobicContact CG1-CD2 3.98Å; V18-F20 HydrophobicContact CG1-CE1 3.45Å; V18-F20 VanDerWaalsContact CG1-CE1 3.45Å; V18-F20 HydrophobicContact CG1-CE2 3.56Å; V18-F20 HydrophobicContact CG1-CG 4.13Å; V18-F20 HydrophobicContact CG1-CZ 3.29Å; V18-F20 WeakPolarHBondContact O-CD2 3.24Å; V18-F20 PolarHBondContact O-N 3.13Å; V18-F20 VanDerWaalsContact O-N 3.09Å; F20-F22 HydrophobicContact CB-CD2 3.22Å; F20-F22 HydrophobicContact CB-CE2 3.35Å; F20-F22 HydrophobicContact CB-CG 3.99Å; F20-F22 HydrophobicContact CB-CZ 4.2Å; F20-F22 HydrophobicContact CD1-CD1 4.43Å; F20-F22 AromaticContact CD1-CD2 3.81Å; F20-F22 HydrophobicContact CD1-CD2 3.81Å; F20-F22 AromaticContact CD1-CE1 3.82Å; F20-F22 HydrophobicContact CD1-CE1 3.82Å; F20-F22 AromaticContact CD1-CE2 3.08Å; F20-F22 HydrophobicContact CD1-CE2 3.08Å; F20-F22 HydrophobicContact CD1-CG 4.42Å; F20-F22 AromaticContact CD1-CZ 3.08Å; F20-F22 HydrophobicContact CD1-CZ 3.08Å; F20-F22 HydrophobicContact CD2-CD2 4.16Å; F20-F22 AromaticContact CD2-CE2 3.43Å; F20-F22 HydrophobicContact CD2-CE2 3.43Å; F20-F22 VanDerWaalsContact CD2-CE2 3.43Å; F20-F22 HydrophobicContact CD2-CZ 4.15Å; F20-F22 HydrophobicContact CE1-CE1 4.12Å; F20-F22 AromaticContact CE1-CE2 3.57Å; F20-F22 HydrophobicContact CE1-CE2 3.57Å; F20-F22 AromaticContact CE1-CZ 3.23Å; F20-F22 HydrophobicContact CE1-CZ 3.23Å; F20-F22 AromaticContact CE2-CE2 3.88Å; F20-F22 HydrophobicContact CE2-CE2 3.88Å; F20-F22 HydrophobicContact CE2-CZ 4.26Å; F20-F22 AromaticContact CG-CD2 3.5Å; F20-F22 HydrophobicContact CG-CD2 3.5Å; F20-F22 VanDerWaalsContact CG-CD2 3.5Å; F20-F22 HydrophobicContact CG-CE1 4.49Å; F20-F22 AromaticContact CG-CE2 2.99Å; F20-F22 HydrophobicContact CG-CE2 2.99Å; F20-F22 HydrophobicContact CG-CG 4.42Å; F20-F22 AromaticContact CG-CZ 3.58Å; F20-F22 HydrophobicContact CG-CZ 3.58Å; F20-F22 AromaticContact CZ-CE2 3.94Å; F20-F22 HydrophobicContact CZ-CE2 3.94Å; F20-F22 AromaticContact CZ-CZ 3.83Å; F20-F22 HydrophobicContact CZ-CZ 3.83Å; F20-F22 PolarHBondContact O-N 3.35Å; F20-H109 AromaticContact CE2-NE2 3.81Å; F20-L110 HydrophobicContact CE1-CD2 4.24Å; F20-L110 HydrophobicContact CZ-CD2 3.71Å; F20-V113 HydrophobicContact CE2-CG2 4.2Å
21	Y	32.2	Very low	45.1	Very low	219 Å²	219	99.2 Å²	99.2	86%	0.859	53%	0.53	S	S	*	.			trans	-84.6	68	152.9	-70.9	-84.7	0	0	0	109.1	C19 L23	C19-Y21 PolarHBondContact O-N 3.4Å; Y21-L23 PolarHBondContact O-N 3.5Å
22	F	38.4	Very low	47.8	Very low	97 Å²	97	93.2 Å²	93.2	43%	0.425	50%	0.502	S	S	.	.			trans	-70.6	101.1	169.5	-75.8	-62.6	0	0	0	109	F20 V113	F20-F22 HydrophobicContact CB-CD2 3.22Å; F20-F22 HydrophobicContact CB-CE2 3.35Å; F20-F22 HydrophobicContact CB-CG 3.99Å; F20-F22 HydrophobicContact CB-CZ 4.2Å; F20-F22 HydrophobicContact CD1-CD1 4.43Å; F20-F22 AromaticContact CD1-CD2 3.81Å; F20-F22 HydrophobicContact CD1-CD2 3.81Å; F20-F22 AromaticContact CD1-CE1 3.82Å; F20-F22 HydrophobicContact CD1-CE1 3.82Å; F20-F22 AromaticContact CD1-CE2 3.08Å; F20-F22 HydrophobicContact CD1-CE2 3.08Å; F20-F22 HydrophobicContact CD1-CG 4.42Å; F20-F22 AromaticContact CD1-CZ 3.08Å; F20-F22 HydrophobicContact CD1-CZ 3.08Å; F20-F22 HydrophobicContact CD2-CD2 4.16Å; F20-F22 AromaticContact CD2-CE2 3.43Å; F20-F22 HydrophobicContact CD2-CE2 3.43Å; F20-F22 VanDerWaalsContact CD2-CE2 3.43Å; F20-F22 HydrophobicContact CD2-CZ 4.15Å; F20-F22 HydrophobicContact CE1-CE1 4.12Å; F20-F22 AromaticContact CE1-CE2 3.57Å; F20-F22 HydrophobicContact CE1-CE2 3.57Å; F20-F22 AromaticContact CE1-CZ 3.23Å; F20-F22 HydrophobicContact CE1-CZ 3.23Å; F20-F22 AromaticContact CE2-CE2 3.88Å; F20-F22 HydrophobicContact CE2-CE2 3.88Å; F20-F22 HydrophobicContact CE2-CZ 4.26Å; F20-F22 AromaticContact CG-CD2 3.5Å; F20-F22 HydrophobicContact CG-CD2 3.5Å; F20-F22 VanDerWaalsContact CG-CD2 3.5Å; F20-F22 HydrophobicContact CG-CE1 4.49Å; F20-F22 AromaticContact CG-CE2 2.99Å; F20-F22 HydrophobicContact CG-CE2 2.99Å; F20-F22 HydrophobicContact CG-CG 4.42Å; F20-F22 AromaticContact CG-CZ 3.58Å; F20-F22 HydrophobicContact CG-CZ 3.58Å; F20-F22 AromaticContact CZ-CE2 3.94Å; F20-F22 HydrophobicContact CZ-CE2 3.94Å; F20-F22 AromaticContact CZ-CZ 3.83Å; F20-F22 HydrophobicContact CZ-CZ 3.83Å; F20-F22 PolarHBondContact O-N 3.35Å; F22-V113 HydrophobicContact CE2-CG1 3.71Å; F22-V113 HydrophobicContact CZ-CG1 4.2Å
23	L	35.6	Very low	50.6	Low	105 Å²	105	90 Å²	90	55%	0.55	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-65.3	130.8	142.5	-75.6	169.5	0	0	0	105.7	Y21 P25	Y21-L23 PolarHBondContact O-N 3.5Å; L23-P25 WeakPolarHBondContact O-CD 3.41Å; L23-P25 VanDerWaalsContact O-N 3.11Å
24	P	36.9	Very low	53.3	Low	109 Å²	109	88 Å²	88	71%	0.708	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-56.4	121.7	-175.3	20.4	-30.1	0	0	0	108.9
25	P	44.8	Very low	55.7	Low	49 Å²	49	91.8 Å²	91.8	32%	0.318	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.2	171.7	20.8	-29.2	0	0	0	109.4	L23 C27 P137	L23-P25 WeakPolarHBondContact O-CD 3.41Å; L23-P25 VanDerWaalsContact O-N 3.11Å; P25-C27 PolarHBondContact O-N 2.97Å; P25-C27 VanDerWaalsContact O-N 3.09Å; P25-P137 HydrophobicContact CB-CB 3.9Å; P25-P137 HydrophobicContact CB-CG 3.59Å; P25-P137 HydrophobicContact CG-CB 4.15Å; P25-P137 HydrophobicContact CG-CG 3.29Å
26	C	45.7	Very low	58.3	Low	56 Å²	56	88.6 Å²	88.6	38%	0.378	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-57.3	117.8	-172.4	-173.1	0	0	0	0	111.1	Q28 Q409	C26-Q28 PolarHBondContact O-N 3.02Å; C26-Q28 PolarHBondContact SG-N 2.87Å; C26-Q28 VanDerWaalsContact SG-N 3.41Å; C26-Q409 HydrophobicContact CB-CG 4.05Å; C26-Q409 PolarHBondContact SG-NE2 3.21Å; C26-Q409 PolarHBondContact SG-OE1 2.6Å
27	C	47	Very low	61.1	Low	127 Å²	127	81.3 Å²	81.3	86%	0.858	42%	0.421	S	S	*	.	S	Bend	trans	-73.5	-3.6	176.5	-57.4	0	0	0	0	113.3	P25	P25-C27 PolarHBondContact O-N 2.97Å; P25-C27 VanDerWaalsContact O-N 3.09Å
28	Q	63.4	Low	63.9	Low	148 Å²	148	79.6 Å²	79.6	69%	0.692	41%	0.413	S	S	*	.	S	Bend	trans	-95.1	103.5	172.6	-72.3	-173.8	-13.9	0	0	109.4	C26 S30	C26-Q28 PolarHBondContact O-N 3.02Å; C26-Q28 PolarHBondContact SG-N 2.87Å; C26-Q28 VanDerWaalsContact SG-N 3.41Å; Q28-S30 PolarHBondContact O-N 3.2Å
29	I	74.6	Confident	66.7	Low	60 Å²	60	83.1 Å²	83.1	31%	0.308	43%	0.428	S	S	.	.			trans	-56.5	123	166.2	-50.2	175.7	0	0	0	107.2	A33 L34 I37 Y134	I29-A33 HydrophobicContact CG2-CB 3.54Å; I29-L34 HydrophobicContact CG2-CB 3.87Å; I29-L34 HydrophobicContact CG2-CD1 4.49Å; I29-I37 HydrophobicContact CG2-CD1 4.25Å; I29-Y134 HydrophobicContact CD1-CD1 4.21Å; I29-Y134 WeakPolarHBondContact CD1-O 3.32Å
30	S	86.2	Confident	69.4	Low	28 Å²	28	80.2 Å²	80.2	20%	0.196	40%	0.402	C	S	.	.			trans	-67.1	162.3	174.7	67.9	0	0	0	0	111.4	Q28 F32 A33 L34 D466	Q28-S30 PolarHBondContact O-N 3.2Å; S30-F32 PolarHBondContact O-N 3.19Å; S30-A33 PolarHBondContact O-N 3.29Å; S30-A33 WeakPolarHBondContact OG-CB 3.32Å; S30-A33 PolarHBondContact OG-N 3.49Å; S30-A33 VanDerWaalsContact OG-N 3.1Å; S30-L34 WeakPolarHBondContact O-CB 3.4Å; S30-L34 PolarHBondContact O-N 3.2Å; S30-D466 WeakPolarHBondContact CB-OD2 3.39Å; S30-D466 PolarHBondContact OG-OD2 2.81Å
31	E	88.4	Confident	72.1	Confident	170 Å²	170	77.5 Å²	77.5	79%	0.794	39%	0.39	S	S	*	.	H	α-helix	trans	-56.6	-38.7	174.9	-175.1	174.7	-174.8	0	0	111.6	L34 K35	E31-L34 PolarHBondContact O-N 3.21Å; E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 PolarHBondContact O-N 3.01Å
32	F	90.2	Very high	75.1	Confident	40 Å²	40	67.6 Å²	67.6	18%	0.175	35%	0.352	C	S	.	.	H	α-helix	trans	-65.1	-48.1	177.3	-178.2	-102.4	0	0	0	112.5	S30 K35 T36 W138 K464 D466 T488	S30-F32 PolarHBondContact O-N 3.19Å; F32-K35 PolarHBondContact O-N 3.27Å; F32-T36 WeakPolarHBondContact O-CB 3.37Å; F32-T36 PolarHBondContact O-N 3.41Å; F32-T36 PolarHBondContact O-OG1 3.46Å; F32-W138 AromaticContact CD1-CH2 3.57Å; F32-W138 HydrophobicContact CD1-CH2 3.57Å; F32-W138 HydrophobicContact CD1-CZ2 4.06Å; F32-W138 HydrophobicContact CD1-CZ3 4.02Å; F32-W138 AromaticContact CE1-CH2 3.39Å; F32-W138 HydrophobicContact CE1-CH2 3.39Å; F32-W138 AromaticContact CE1-CZ2 3.77Å; F32-W138 HydrophobicContact CE1-CZ2 3.77Å; F32-W138 HydrophobicContact CE1-CZ3 4.27Å; F32-K464 WeakPolarHBondContact CE1-O 3.4Å; F32-K464 WeakPolarHBondContact CZ-O 3.48Å; F32-D466 HydrophobicContact CB-CB 4.42Å; F32-T488 HydrophobicContact CB-CG2 4.11Å; F32-T488 HydrophobicContact CD1-CG2 4.09Å; F32-T488 HydrophobicContact CD2-CG2 3.48Å; F32-T488 VanDerWaalsContact CD2-CG2 3.48Å; F32-T488 HydrophobicContact CE1-CG2 4.42Å; F32-T488 HydrophobicContact CE2-CG2 3.87Å; F32-T488 HydrophobicContact CG-CG2 3.6Å; F32-T488 HydrophobicContact CZ-CG2 4.32Å
33	A	91.5	Very high	77.8	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-43.9	177	0	0	0	0	0	111	I29 S30 K35 T36 I37 W138	I29-A33 HydrophobicContact CG2-CB 3.54Å; S30-A33 PolarHBondContact O-N 3.29Å; S30-A33 WeakPolarHBondContact OG-CB 3.32Å; S30-A33 PolarHBondContact OG-N 3.49Å; S30-A33 VanDerWaalsContact OG-N 3.1Å; A33-K35 PolarHBondContact O-N 3.4Å; A33-T36 WeakPolarHBondContact O-CB 3.46Å; A33-T36 PolarHBondContact O-N 3.28Å; A33-T36 VanDerWaalsContact O-N 3.15Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.24Å; A33-I37 PolarHBondContact O-N 3.21Å; A33-W138 HydrophobicContact CB-CB 3.95Å; A33-W138 HydrophobicContact CB-CD2 3.47Å; A33-W138 VanDerWaalsContact CB-CD2 3.47Å; A33-W138 HydrophobicContact CB-CE3 3.78Å; A33-W138 HydrophobicContact CB-CG 3.52Å
34	L	91.2	Very high	80.6	Confident	59 Å²	59	65 Å²	65	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-47.6	179.9	-174.7	64.6	0	0	0	111.5	I29 S30 E31 T36 I37 Q38 Y134	I29-L34 HydrophobicContact CG2-CB 3.87Å; I29-L34 HydrophobicContact CG2-CD1 4.49Å; S30-L34 WeakPolarHBondContact O-CB 3.4Å; S30-L34 PolarHBondContact O-N 3.2Å; E31-L34 PolarHBondContact O-N 3.21Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.37Å; L34-I37 PolarHBondContact O-N 3.48Å; L34-Q38 HydrophobicContact CD1-CG 4.33Å; L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 WeakPolarHBondContact O-CG 3.22Å; L34-Q38 PolarHBondContact O-N 3.14Å; L34-Y134 HydrophobicContact CD1-CD1 3.89Å; L34-Y134 HydrophobicContact CD1-CE1 3.7Å
35	K	91.5	Very high	83.5	Confident	110 Å²	110	59.9 Å²	59.9	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-38.3	175.3	-173.5	176.9	-177.5	176.7	0	111.9	E31 F32 A33 E39	E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 PolarHBondContact O-N 3.01Å; F32-K35 PolarHBondContact O-N 3.27Å; A33-K35 PolarHBondContact O-N 3.4Å; K35-E39 WeakPolarHBondContact CE-OE2 3.39Å; K35-E39 HydrophobicContact CG-CG 4.38Å; K35-E39 WeakPolarHBondContact O-CB 3.29Å; K35-E39 PolarHBondContact O-N 3.06Å
36	T	91.7	Very high	86	Confident	4 Å²	4	59.4 Å²	59.4	3%	0.025	30%	0.298	C	S	.	.	I	π-helix	trans	-62.6	-46.6	176.6	-67.2	0	0	0	0	111.4	F32 A33 L34 R40 W41 W138	F32-T36 WeakPolarHBondContact O-CB 3.37Å; F32-T36 PolarHBondContact O-N 3.41Å; F32-T36 PolarHBondContact O-OG1 3.46Å; A33-T36 WeakPolarHBondContact O-CB 3.46Å; A33-T36 PolarHBondContact O-N 3.28Å; A33-T36 VanDerWaalsContact O-N 3.15Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.37Å; T36-R40 HydrophobicContact CG2-CB 4.27Å; T36-R40 WeakPolarHBondContact O-CA 3.45Å; T36-R40 WeakPolarHBondContact O-CB 3.45Å; T36-R40 PolarHBondContact O-N 3.15Å; T36-W41 PolarHBondContact O-N 3.33Å; T36-W138 HydrophobicContact CG2-CZ2 4.39Å
37	I	92.5	Very high	88.3	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.015	29%	0.291	C	S	.	.	I	π-helix	trans	-66.5	-43.6	178.5	-60.6	163	0	0	0	111.1	I29 A33 L34 W41 P42 I85 Y134	I29-I37 HydrophobicContact CG2-CD1 4.25Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.24Å; A33-I37 PolarHBondContact O-N 3.21Å; L34-I37 PolarHBondContact O-N 3.48Å; I37-W41 HydrophobicContact CB-CE3 4.17Å; I37-W41 HydrophobicContact CB-CZ3 4.2Å; I37-W41 HydrophobicContact CD1-CH2 4.39Å; I37-W41 HydrophobicContact CG1-CD2 4.41Å; I37-W41 HydrophobicContact CG1-CE3 4.04Å; I37-W41 HydrophobicContact CG1-CH2 3.63Å; I37-W41 HydrophobicContact CG1-CZ2 4Å; I37-W41 HydrophobicContact CG1-CZ3 3.66Å; I37-W41 HydrophobicContact CG2-CE3 3.95Å; I37-W41 HydrophobicContact CG2-CZ3 3.92Å; I37-P42 VanDerWaalsContact O-CD 3.27Å; I37-P42 WeakPolarHBondContact O-CD 3.31Å; I37-I85 HydrophobicContact CG2-CG2 4.3Å; I37-Y134 HydrophobicContact CG2-CD1 4.45Å; I37-Y134 HydrophobicContact CG2-CD2 4.01Å; I37-Y134 HydrophobicContact CG2-CE1 3.95Å; I37-Y134 HydrophobicContact CG2-CE2 3.46Å; I37-Y134 VanDerWaalsContact CG2-CE2 3.46Å; I37-Y134 HydrophobicContact CG2-CG 4.49Å; I37-Y134 VanDerWaalsContact CG2-CZ 3.43Å
38	Q	92.5	Very high	90.6	Very high	98 Å²	98	53.3 Å²	53.3	46%	0.458	25%	0.251	S	S	.	.	I	π-helix	trans	-76.5	-35.5	-174.3	-75.2	177.4	-13.6	0	0	113.9	L34 Y134	L34-Q38 HydrophobicContact CD1-CG 4.33Å; L34-Q38 WeakPolarHBondContact O-CB 3.44Å; L34-Q38 WeakPolarHBondContact O-CG 3.22Å; L34-Q38 PolarHBondContact O-N 3.14Å; Q38-Y134 HydrophobicContact CG-CE1 3.89Å; Q38-Y134 WeakPolarHBondContact CG-OH 3.49Å
39	E	92.7	Very high	92.2	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	22%	0.224	S	C	.	.	I	π-helix	trans	-117.1	-49.5	-170.8	-57.7	-178.3	-178.9	0	0	112.5	K35 R43	K35-E39 WeakPolarHBondContact CE-OE2 3.39Å; K35-E39 HydrophobicContact CG-CG 4.38Å; K35-E39 WeakPolarHBondContact O-CB 3.29Å; K35-E39 PolarHBondContact O-N 3.06Å; E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 PolarHBondContact O-N 2.93Å
40	R	92.1	Very high	93.2	Very high	49 Å²	49	48.2 Å²	48.2	19%	0.185	23%	0.229	C	C	.	.	I	π-helix	trans	-74.4	-48.2	-169.4	-167.4	178.6	-177.7	-175.3	-2	111.8	T36 R43 I44 S214	T36-R40 HydrophobicContact CG2-CB 4.27Å; T36-R40 WeakPolarHBondContact O-CA 3.45Å; T36-R40 WeakPolarHBondContact O-CB 3.45Å; T36-R40 PolarHBondContact O-N 3.15Å; R40-R43 PolarHBondContact O-N 3.23Å; R40-I44 HydrophobicContact CG-CD1 4Å; R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 2.89Å; R40-S214 PolarHBondContact NE-O 3.36Å; R40-S214 PolarHBondContact NH2-O 2.83Å; R40-S214 VanDerWaalsContact NH2-O 3.1Å; R40-S214 PolarHBondContact NH2-OG 3.44Å
41	W	95.1	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-47.7	178.8	-64.2	-8.6	0	0	0	112.2	T36 I37 R43 I44 L45 I85 W133 W138 A141 E142 L145	T36-W41 PolarHBondContact O-N 3.33Å; I37-W41 HydrophobicContact CB-CE3 4.17Å; I37-W41 HydrophobicContact CB-CZ3 4.2Å; I37-W41 HydrophobicContact CD1-CH2 4.39Å; I37-W41 HydrophobicContact CG1-CD2 4.41Å; I37-W41 HydrophobicContact CG1-CE3 4.04Å; I37-W41 HydrophobicContact CG1-CH2 3.63Å; I37-W41 HydrophobicContact CG1-CZ2 4Å; I37-W41 HydrophobicContact CG1-CZ3 3.66Å; I37-W41 HydrophobicContact CG2-CE3 3.95Å; I37-W41 HydrophobicContact CG2-CZ3 3.92Å; W41-R43 VanDerWaalsContact C-N 3.29Å; W41-R43 PolarHBondContact O-N 2.77Å; W41-I44 PolarHBondContact O-N 3.4Å; W41-L45 WeakPolarHBondContact O-CG 3.46Å; W41-L45 PolarHBondContact O-N 3.36Å; W41-I85 HydrophobicContact CE3-CG2 4.1Å; W41-W133 HydrophobicContact CZ3-CE3 4.1Å; W41-W133 HydrophobicContact CZ3-CZ3 4.44Å; W41-W138 AromaticContact CZ2-CD1 3.92Å; W41-W138 AromaticContact CZ2-NE1 3.84Å; W41-A141 HydrophobicContact CH2-CB 3.85Å; W41-A141 HydrophobicContact CZ3-CB 4.43Å; W41-E142 HydrophobicContact CH2-CB 4.28Å; W41-E142 HydrophobicContact CZ2-CB 3.59Å; W41-E142 HydrophobicContact CZ2-CG 3.8Å; W41-L145 HydrophobicContact CB-CD2 3.84Å; W41-L145 HydrophobicContact CD2-CD2 3.52Å; W41-L145 HydrophobicContact CE3-CD2 3.92Å; W41-L145 HydrophobicContact CG-CD2 3.48Å; W41-L145 VanDerWaalsContact CG-CD2 3.48Å
42	P	96	Very high	94	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.071	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-40.1	174.9	-27.9	37.8	0	0	0	113.1	I37 L45 S46 R82 M86	I37-P42 VanDerWaalsContact O-CD 3.27Å; I37-P42 WeakPolarHBondContact O-CD 3.31Å; P42-L45 PolarHBondContact O-N 3.32Å; P42-S46 WeakPolarHBondContact O-CB 3.46Å; P42-S46 PolarHBondContact O-N 3.15Å; P42-S46 PolarHBondContact O-OG 3.01Å; P42-R82 HydrophobicContact CB-CG 4.06Å; P42-R82 WeakPolarHBondContact O-CD 3.46Å; P42-M86 HydrophobicContact CB-CG 3.93Å; P42-M86 HydrophobicContact CB-SD 3.94Å; P42-M86 HydrophobicContact CG-CG 3.61Å; P42-M86 HydrophobicContact CG-SD 4.3Å
43	R	94.8	Very high	94.2	Very high	134 Å²	134	45.9 Å²	45.9	51%	0.506	21%	0.213	S	C	.	.	H	α-helix	trans	-62.2	-44.5	176	-171.7	-176.8	-59.5	172.4	4	112	E39 R40 W41 L45 S46 Q47	E39-R43 WeakPolarHBondContact O-CB 3.35Å; E39-R43 PolarHBondContact O-N 2.93Å; R40-R43 PolarHBondContact O-N 3.23Å; W41-R43 VanDerWaalsContact C-N 3.29Å; W41-R43 PolarHBondContact O-N 2.77Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 3.06Å; R43-S46 PolarHBondContact O-N 2.76Å; R43-Q47 WeakPolarHBondContact O-CG 3.25Å; R43-Q47 PolarHBondContact O-N 2.96Å
44	I	94.3	Very high	94.4	Very high	14 Å²	14	55 Å²	55	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-47.1	176.6	-71	167.5	0	0	0	110.3	R40 W41 Q47 L48 F164 V311	R40-I44 HydrophobicContact CG-CD1 4Å; R40-I44 WeakPolarHBondContact O-CG1 3.49Å; R40-I44 PolarHBondContact O-N 2.89Å; W41-I44 PolarHBondContact O-N 3.4Å; I44-Q47 PolarHBondContact O-N 2.86Å; I44-L48 WeakPolarHBondContact O-CB 3.5Å; I44-L48 PolarHBondContact O-N 3.1Å; I44-F164 HydrophobicContact CG2-CE1 4.47Å; I44-V311 HydrophobicContact CD1-CG2 4.26Å; I44-V311 HydrophobicContact CG2-CG2 4.09Å
45	L	97.3	Very high	94.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-39.6	178.9	-62.6	179.2	0	0	0	112.4	W41 P42 R43 L48 I49 I78 L81 R82 I85 L145 I149	W41-L45 WeakPolarHBondContact O-CG 3.46Å; W41-L45 PolarHBondContact O-N 3.36Å; P42-L45 PolarHBondContact O-N 3.32Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 3.06Å; L45-L48 WeakPolarHBondContact O-CB 3.34Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-I49 WeakPolarHBondContact O-CD1 3.16Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.38Å; L45-I49 PolarHBondContact O-N 2.99Å; L45-I78 HydrophobicContact CB-CG2 4.02Å; L45-I78 HydrophobicContact CD2-CG2 4.02Å; L45-L81 HydrophobicContact CD1-CD2 4.38Å; L45-L81 HydrophobicContact CD1-CG 4.12Å; L45-L81 HydrophobicContact CD2-CD2 4.32Å; L45-R82 HydrophobicContact CB-CB 4.12Å; L45-R82 HydrophobicContact CB-CG 4.11Å; L45-R82 HydrophobicContact CD1-CB 3.84Å; L45-R82 HydrophobicContact CD1-CG 4.17Å; L45-I85 HydrophobicContact CD1-CD1 3.6Å; L45-L145 HydrophobicContact CD1-CD1 4.37Å; L45-L145 HydrophobicContact CD2-CD1 4.35Å; L45-I149 HydrophobicContact CD2-CD1 3.71Å; L45-I149 HydrophobicContact CD2-CG1 4.19Å
46	S	96.6	Very high	94.8	Very high	40 Å²	40	52.9 Å²	52.9	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-44.7	173.1	-79.5	0	0	0	0	112.2	P42 R43 L48 I49 D50 R82	P42-S46 WeakPolarHBondContact O-CB 3.46Å; P42-S46 PolarHBondContact O-N 3.15Å; P42-S46 PolarHBondContact O-OG 3.01Å; R43-S46 PolarHBondContact O-N 2.76Å; S46-L48 VanDerWaalsContact C-N 3.31Å; S46-L48 PolarHBondContact O-N 2.96Å; S46-I49 WeakPolarHBondContact O-CB 3.13Å; S46-I49 PolarHBondContact O-N 3.26Å; S46-D50 PolarHBondContact O-N 3.21Å; S46-R82 WeakPolarHBondContact OG-CD 3.32Å; S46-R82 PolarHBondContact OG-NE 2.96Å
47	Q	94.1	Very high	95	Very high	49 Å²	49	59.3 Å²	59.3	23%	0.229	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-35.1	176.7	-73.2	176.6	-10	0	0	112.6	R43 I44 D50 S51	R43-Q47 WeakPolarHBondContact O-CG 3.25Å; R43-Q47 PolarHBondContact O-N 2.96Å; I44-Q47 PolarHBondContact O-N 2.86Å; Q47-D50 PolarHBondContact O-N 3.33Å; Q47-S51 WeakPolarHBondContact O-CB 3.45Å; Q47-S51 PolarHBondContact O-N 3.27Å
48	L	95.7	Very high	95.1	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-46	175	-165.6	60	0	0	0	111	I44 L45 S46 S51 I52 I78 I149 P163 F164	I44-L48 WeakPolarHBondContact O-CB 3.5Å; I44-L48 PolarHBondContact O-N 3.1Å; L45-L48 WeakPolarHBondContact O-CB 3.34Å; L45-L48 PolarHBondContact O-N 3.47Å; S46-L48 VanDerWaalsContact C-N 3.31Å; S46-L48 PolarHBondContact O-N 2.96Å; L48-S51 PolarHBondContact O-N 2.98Å; L48-I52 HydrophobicContact CG-CD1 4.11Å; L48-I52 WeakPolarHBondContact O-CB 3.24Å; L48-I52 VanDerWaalsContact O-CG1 3.25Å; L48-I52 WeakPolarHBondContact O-CG1 3.22Å; L48-I52 PolarHBondContact O-N 2.84Å; L48-I78 HydrophobicContact CD2-CD1 3.81Å; L48-I78 HydrophobicContact CG-CD1 4.14Å; L48-I149 HydrophobicContact CD2-CD1 4.37Å; L48-I149 HydrophobicContact CD2-CG2 4.11Å; L48-P163 HydrophobicContact CD1-CB 3.65Å; L48-P163 HydrophobicContact CD1-CG 4.18Å; L48-P163 WeakPolarHBondContact CD1-O 3.29Å; L48-P163 HydrophobicContact CD2-CB 4.39Å; L48-P163 HydrophobicContact CD2-CG 4.39Å; L48-P163 HydrophobicContact CG-CB 4.27Å; L48-F164 HydrophobicContact CD1-CD1 3.63Å; L48-F164 HydrophobicContact CD1-CE1 3.45Å; L48-F164 VanDerWaalsContact CD1-CE1 3.45Å; L48-F164 HydrophobicContact CD1-CG 4.32Å; L48-F164 HydrophobicContact CD1-CZ 4.02Å; L48-F164 HydrophobicContact CD2-CE1 3.92Å; L48-F164 HydrophobicContact CD2-CZ 3.76Å; L48-F164 HydrophobicContact CG-CE1 4.2Å
49	I	97.1	Very high	95.2	Very high	24 Å²	24	57.7 Å²	57.7	12%	0.123	26%	0.262	C	S	.	.	H	α-helix	trans	-56.3	-52.4	173.5	-72.5	161.4	0	0	0	110.8	L45 S46 S51 I52 Y53 T75 I78 C79	L45-I49 WeakPolarHBondContact O-CD1 3.16Å; L45-I49 VanDerWaalsContact O-CG1 3.3Å; L45-I49 WeakPolarHBondContact O-CG1 3.38Å; L45-I49 PolarHBondContact O-N 2.99Å; S46-I49 WeakPolarHBondContact O-CB 3.13Å; S46-I49 PolarHBondContact O-N 3.26Å; I49-S51 VanDerWaalsContact C-N 3.33Å; I49-S51 PolarHBondContact O-N 3.41Å; I49-I52 PolarHBondContact O-N 2.96Å; I49-Y53 WeakPolarHBondContact O-CB 3.23Å; I49-Y53 PolarHBondContact O-N 3.38Å; I49-T75 HydrophobicContact CB-CG2 4.29Å; I49-T75 HydrophobicContact CG1-CG2 4.21Å; I49-T75 HydrophobicContact CG2-CG2 3.64Å; I49-I78 HydrophobicContact CD1-CB 4.42Å; I49-I78 HydrophobicContact CD1-CG2 3.91Å; I49-I78 HydrophobicContact CG1-CB 4.05Å; I49-I78 HydrophobicContact CG1-CG2 3.67Å; I49-C79 HydrophobicContact CD1-CB 3.96Å
50	D	95.9	Very high	95.3	Very high	78 Å²	78	53.9 Å²	53.9	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-41.1	-178.8	-74.5	-14.1	0	0	0	111.8	S46 Q47 Y53 R54	S46-D50 PolarHBondContact O-N 3.21Å; Q47-D50 PolarHBondContact O-N 3.33Å; D50-Y53 PolarHBondContact O-N 3.36Å; D50-R54 WeakPolarHBondContact O-CB 3.45Å; D50-R54 VanDerWaalsContact O-CG 3.24Å; D50-R54 WeakPolarHBondContact O-CG 3.34Å; D50-R54 PolarHBondContact O-N 2.93Å
51	S	94.8	Very high	95.4	Very high	28 Å²	28	57.3 Å²	57.3	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-47.8	177.7	-179	0	0	0	0	111.6	Q47 L48 I49 Y53 R54 N55	Q47-S51 WeakPolarHBondContact O-CB 3.45Å; Q47-S51 PolarHBondContact O-N 3.27Å; L48-S51 PolarHBondContact O-N 2.98Å; I49-S51 VanDerWaalsContact C-N 3.33Å; I49-S51 PolarHBondContact O-N 3.41Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.78Å; S51-R54 PolarHBondContact O-N 3.19Å; S51-N55 WeakPolarHBondContact O-CB 3.46Å; S51-N55 PolarHBondContact O-N 3.17Å; S51-N55 PolarHBondContact O-ND2 3.35Å
52	I	96.4	Very high	95.2	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-45.5	177.2	-69.9	165.2	0	0	0	110.3	L48 I49 R56 L71 L74 T75 I78 F161 P163	L48-I52 HydrophobicContact CG-CD1 4.11Å; L48-I52 WeakPolarHBondContact O-CB 3.24Å; L48-I52 VanDerWaalsContact O-CG1 3.25Å; L48-I52 WeakPolarHBondContact O-CG1 3.22Å; L48-I52 PolarHBondContact O-N 2.84Å; I49-I52 PolarHBondContact O-N 2.96Å; I52-R56 PolarHBondContact O-N 3.01Å; I52-L71 HydrophobicContact CG2-CB 4.05Å; I52-L71 HydrophobicContact CG2-CD2 4.1Å; I52-L74 HydrophobicContact CD1-CD2 3.91Å; I52-L74 HydrophobicContact CD1-CG 4.2Å; I52-T75 WeakPolarHBondContact CG2-OG1 3.49Å; I52-I78 HydrophobicContact CD1-CD1 3.69Å; I52-F161 HydrophobicContact CG1-CE1 4.48Å; I52-P163 HydrophobicContact CD1-CB 4.21Å
53	Y	94.5	Very high	95	Very high	159 Å²	159	63.8 Å²	63.8	62%	0.624	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-50.3	-179.7	179.6	-95.2	0	0	0	112.6	I49 D50 S51 N55 R56	I49-Y53 WeakPolarHBondContact O-CB 3.23Å; I49-Y53 PolarHBondContact O-N 3.38Å; D50-Y53 PolarHBondContact O-N 3.36Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.78Å; Y53-N55 VanDerWaalsContact C-N 3.34Å; Y53-N55 PolarHBondContact O-N 2.92Å; Y53-R56 WeakPolarHBondContact O-CB 3.35Å; Y53-R56 PolarHBondContact O-N 3.44Å
54	R	95.5	Very high	94.9	Very high	193 Å²	193	68.5 Å²	68.5	73%	0.728	33%	0.327	S	S	*	.	H	α-helix	trans	-65.9	-35.9	-177.3	-72.3	177.3	-171.9	-172.1	5.6	112.5	D50 S51	D50-R54 WeakPolarHBondContact O-CB 3.45Å; D50-R54 VanDerWaalsContact O-CG 3.24Å; D50-R54 WeakPolarHBondContact O-CG 3.34Å; D50-R54 PolarHBondContact O-N 2.93Å; S51-R54 PolarHBondContact O-N 3.19Å
55	N	95.6	Very high	94.9	Very high	49 Å²	49	74 Å²	74	26%	0.262	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	13.3	-176.1	-62.4	-72.3	0	0	0	113.6	S51 Y53 E57 T58 Y59 L166	S51-N55 WeakPolarHBondContact O-CB 3.46Å; S51-N55 PolarHBondContact O-N 3.17Å; S51-N55 PolarHBondContact O-ND2 3.35Å; Y53-N55 VanDerWaalsContact C-N 3.34Å; Y53-N55 PolarHBondContact O-N 2.92Å; N55-E57 VanDerWaalsContact C-N 3.28Å; N55-E57 PolarHBondContact O-N 3.21Å; N55-T58 WeakPolarHBondContact O-CA 3.42Å; N55-T58 WeakPolarHBondContact O-CB 3.35Å; N55-T58 PolarHBondContact O-N 3.4Å; N55-Y59 HydrophobicContact CB-CD2 3.94Å; N55-Y59 HydrophobicContact CB-CE2 3.59Å; N55-Y59 WeakPolarHBondContact O-CD2 3.22Å; N55-Y59 PolarHBondContact O-N 3.18Å; N55-L166 HydrophobicContact CB-CD1 3.4Å; N55-L166 VanDerWaalsContact CG-CD1 3.48Å
56	R	95.6	Very high	94.8	Very high	76 Å²	76	79.5 Å²	79.5	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-48.4	-47.8	-178.3	-176.2	-176.5	69.9	-117.4	-3	113	I52 Y53 T58 Y59 C60 L71	I52-R56 PolarHBondContact O-N 3.01Å; Y53-R56 WeakPolarHBondContact O-CB 3.35Å; Y53-R56 PolarHBondContact O-N 3.44Å; R56-T58 PolarHBondContact O-N 3.31Å; R56-Y59 PolarHBondContact O-N 3.5Å; R56-C60 PolarHBondContact O-N 3.26Å; R56-C60 PolarHBondContact O-SG 3Å; R56-C60 VanDerWaalsContact O-SG 3.36Å; R56-L71 HydrophobicContact CG-CD1 3.99Å
57	E	95.7	Very high	94.8	Very high	138 Å²	138	78.2 Å²	78.2	65%	0.645	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-39.7	-179.9	-67.7	178.3	-172.9	0	0	112	N55 Y59 C60 N61	N55-E57 VanDerWaalsContact C-N 3.28Å; N55-E57 PolarHBondContact O-N 3.21Å; E57-Y59 VanDerWaalsContact C-N 3.35Å; E57-Y59 PolarHBondContact O-N 2.99Å; E57-C60 PolarHBondContact O-N 2.92Å; E57-N61 WeakPolarHBondContact O-CB 3.4Å; E57-N61 PolarHBondContact O-N 3.47Å; E57-N61 PolarHBondContact O-ND2 3.45Å
58	T	94.8	Very high	94.9	Very high	58 Å²	58	76.7 Å²	76.7	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.7	-59.8	0	0	0	0	110.4	N55 R56 N61 D62 L166	N55-T58 WeakPolarHBondContact O-CA 3.42Å; N55-T58 WeakPolarHBondContact O-CB 3.35Å; N55-T58 PolarHBondContact O-N 3.4Å; R56-T58 PolarHBondContact O-N 3.31Å; T58-N61 PolarHBondContact O-N 3.47Å; T58-D62 PolarHBondContact O-N 3.38Å; T58-L166 HydrophobicContact CG2-CD1 4.17Å; T58-L166 HydrophobicContact CG2-CD2 4.36Å
59	Y	95.1	Very high	95	Very high	10 Å²	10	81.9 Å²	81.9	4%	0.039	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-39.1	178.3	-67.3	-53.7	0	0	0	113.4	N55 R56 E57 N61 D62 A63 L71 F161 L166	N55-Y59 HydrophobicContact CB-CD2 3.94Å; N55-Y59 HydrophobicContact CB-CE2 3.59Å; N55-Y59 WeakPolarHBondContact O-CD2 3.22Å; N55-Y59 PolarHBondContact O-N 3.18Å; R56-Y59 PolarHBondContact O-N 3.5Å; E57-Y59 VanDerWaalsContact C-N 3.35Å; E57-Y59 PolarHBondContact O-N 2.99Å; Y59-N61 VanDerWaalsContact C-N 3.34Å; Y59-D62 PolarHBondContact O-N 3.06Å; Y59-A63 VanDerWaalsContact O-CB 3.27Å; Y59-A63 WeakPolarHBondContact O-CB 3.49Å; Y59-A63 PolarHBondContact O-N 3.41Å; Y59-L71 HydrophobicContact CD2-CD1 4.42Å; Y59-F161 AromaticContact CD1-CE2 3.5Å; Y59-F161 HydrophobicContact CD1-CE2 3.5Å; Y59-F161 VanDerWaalsContact CD1-CE2 3.5Å; Y59-F161 HydrophobicContact CD1-CZ 4.14Å; Y59-F161 HydrophobicContact CD2-CE2 4.23Å; Y59-F161 HydrophobicContact CD2-CZ 4.19Å; Y59-F161 AromaticContact CE1-CE2 3.61Å; Y59-F161 HydrophobicContact CE1-CE2 3.61Å; Y59-F161 AromaticContact CE1-CZ 3.95Å; Y59-F161 HydrophobicContact CE1-CZ 3.95Å; Y59-F161 HydrophobicContact CE2-CE2 4.37Å; Y59-F161 HydrophobicContact CE2-CZ 4.06Å; Y59-F161 AromaticContact CG-CE2 3.8Å; Y59-F161 HydrophobicContact CG-CE2 3.8Å; Y59-F161 HydrophobicContact CG-CZ 4.23Å; Y59-F161 AromaticContact CZ-CZ 3.9Å; Y59-L166 HydrophobicContact CD1-CD1 4.25Å; Y59-L166 HydrophobicContact CE1-CD1 3.58Å; Y59-L166 HydrophobicContact CE1-CG 3.73Å; Y59-L166 HydrophobicContact CE2-CD1 4.01Å; Y59-L166 VanDerWaalsContact CZ-CD1 3.44Å
60	C	94.9	Very high	95.1	Very high	16 Å²	16	84.7 Å²	84.7	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-64.6	-39.1	174.1	-68.6	0	0	0	0	111.9	R56 E57 R64 Q65	R56-C60 PolarHBondContact O-N 3.26Å; R56-C60 PolarHBondContact O-SG 3Å; R56-C60 VanDerWaalsContact O-SG 3.36Å; E57-C60 PolarHBondContact O-N 2.92Å; C60-R64 PolarHBondContact O-N 3.17Å; C60-Q65 WeakPolarHBondContact CA-O 3.47Å; C60-Q65 PolarHBondContact O-N 2.86Å
61	N	94.5	Very high	95.2	Very high	121 Å²	121	81.1 Å²	81.1	65%	0.647	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-45.8	176.5	-69.9	-22.9	0	0	0	111.7	E57 T58 Y59 A63 R64	E57-N61 WeakPolarHBondContact O-CB 3.4Å; E57-N61 PolarHBondContact O-N 3.47Å; E57-N61 PolarHBondContact O-ND2 3.45Å; T58-N61 PolarHBondContact O-N 3.47Å; Y59-N61 VanDerWaalsContact C-N 3.34Å; N61-A63 VanDerWaalsContact C-N 3.34Å; N61-A63 PolarHBondContact O-N 3.19Å; N61-R64 PolarHBondContact O-N 3Å; N61-R64 VanDerWaalsContact O-N 3.08Å
62	D	90.4	Very high	95.3	Very high	95 Å²	95	85.5 Å²	85.5	51%	0.508	40%	0.402	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.8	-76.8	-8.2	0	0	0	111.6	T58 Y59 R64	T58-D62 PolarHBondContact O-N 3.38Å; Y59-D62 PolarHBondContact O-N 3.06Å; D62-R64 PolarHBondContact O-N 2.85Å
63	A	91.3	Very high	95.4	Very high	52 Å²	52	88 Å²	88	43%	0.43	41%	0.414	S	S	.	.	H	α-helix	trans	-73.3	-12.4	175.5	0	0	0	0	0	113.6	Y59 N61 Q65 I67	Y59-A63 VanDerWaalsContact O-CB 3.27Å; Y59-A63 WeakPolarHBondContact O-CB 3.49Å; Y59-A63 PolarHBondContact O-N 3.41Å; N61-A63 VanDerWaalsContact C-N 3.34Å; N61-A63 PolarHBondContact O-N 3.19Å; A63-Q65 PolarHBondContact O-N 3.2Å; A63-Q65 VanDerWaalsContact O-N 3.1Å; A63-I67 HydrophobicContact CB-CD1 4.02Å; A63-I67 HydrophobicContact CB-CG1 4.42Å; A63-I67 HydrophobicContact CB-CG2 4.31Å
64	R	92.9	Very high	95.5	Very high	232 Å²	232	80.5 Å²	80.5	88%	0.875	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	27.2	-172.5	-56	179.8	-179.2	174.8	0.2	113.3	C60 N61 D62	C60-R64 PolarHBondContact O-N 3.17Å; N61-R64 PolarHBondContact O-N 3Å; N61-R64 VanDerWaalsContact O-N 3.08Å; D62-R64 PolarHBondContact O-N 2.85Å
65	Q	94.4	Very high	95.7	Very high	129 Å²	129	72.6 Å²	72.6	60%	0.603	36%	0.357	S	S	*	.	S	Bend	trans	-153.5	146.2	-179	-178.3	176.7	2.4	0	0	108.8	C60 A63 I67	C60-Q65 WeakPolarHBondContact CA-O 3.47Å; C60-Q65 PolarHBondContact O-N 2.86Å; A63-Q65 PolarHBondContact O-N 3.2Å; A63-Q65 VanDerWaalsContact O-N 3.1Å; Q65-I67 PolarHBondContact O-N 3.03Å; Q65-I67 VanDerWaalsContact O-N 3.12Å
66	D	95.5	Very high	95.8	Very high	116 Å²	116	76.4 Å²	76.4	62%	0.62	37%	0.368	S	S	*	.			trans	-69.4	108.9	169.7	-171.9	9.1	0	0	0	110.6	S68	D66-S68 WeakPolarHBondContact OD1-CB 3.48Å; D66-S68 PolarHBondContact OD1-N 2.91Å; D66-S68 PolarHBondContact OD1-OG 2.85Å
67	I	96.4	Very high	95.9	Very high	13 Å²	13	75.7 Å²	75.7	7%	0.067	37%	0.365	C	S	.	.			trans	-110.9	15.5	175.9	59.2	166.4	0	0	0	111.6	A63 Q65 D69 K70 L71 L158	A63-I67 HydrophobicContact CB-CD1 4.02Å; A63-I67 HydrophobicContact CB-CG1 4.42Å; A63-I67 HydrophobicContact CB-CG2 4.31Å; Q65-I67 PolarHBondContact O-N 3.03Å; Q65-I67 VanDerWaalsContact O-N 3.12Å; I67-D69 VanDerWaalsContact C-N 3.29Å; I67-D69 PolarHBondContact O-N 3.09Å; I67-K70 HydrophobicContact CB-CD 4.48Å; I67-K70 HydrophobicContact CG2-CD 4.44Å; I67-K70 WeakPolarHBondContact O-CB 3.39Å; I67-K70 PolarHBondContact O-N 3.2Å; I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 4.2Å; I67-L71 HydrophobicContact CD1-CG 4.08Å; I67-L71 HydrophobicContact CG1-CD1 3.89Å; I67-L71 HydrophobicContact CG1-CG 4.11Å; I67-L71 WeakPolarHBondContact O-CG 3.38Å; I67-L71 PolarHBondContact O-N 2.93Å; I67-L158 HydrophobicContact CB-CD2 4.39Å; I67-L158 HydrophobicContact CD1-CD2 4Å
68	S	96.5	Very high	96	Very high	18 Å²	18	69.1 Å²	69.1	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-54.6	-41.8	-173.2	-65	0	0	0	0	113.2	D66 L71 K72	D66-S68 WeakPolarHBondContact OD1-CB 3.48Å; D66-S68 PolarHBondContact OD1-N 2.91Å; D66-S68 PolarHBondContact OD1-OG 2.85Å; S68-L71 PolarHBondContact O-N 3.35Å; S68-K72 WeakPolarHBondContact O-CG 3.23Å; S68-K72 PolarHBondContact O-N 3.43Å
69	D	97.7	Very high	96.1	Very high	113 Å²	113	69.1 Å²	69.1	60%	0.604	34%	0.336	S	S	*	.	H	α-helix	trans	-71.7	-34.1	-179.3	-69.4	-22.7	0	0	0	112.6	I67 K72 E73	I67-D69 VanDerWaalsContact C-N 3.29Å; I67-D69 PolarHBondContact O-N 3.09Å; D69-K72 PolarHBondContact O-N 2.99Å; D69-K72 IonicContact OD1-NZ 3.81Å; D69-K72 PolarHBondContact OD1-NZ 3.31Å; D69-E73 PolarHBondContact O-N 3.49Å
70	K	98	Very high	96.2	Very high	83 Å²	83	72 Å²	72	36%	0.361	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-41	171.9	-61.9	-177.5	175.7	-173.2	0	111.5	I67 E73 L74 S156 G157 L158	I67-K70 HydrophobicContact CB-CD 4.48Å; I67-K70 HydrophobicContact CG2-CD 4.44Å; I67-K70 WeakPolarHBondContact O-CB 3.39Å; I67-K70 PolarHBondContact O-N 3.2Å; K70-E73 PolarHBondContact O-N 2.89Å; K70-L74 WeakPolarHBondContact O-CB 3.08Å; K70-L74 PolarHBondContact O-N 3.39Å; K70-S156 WeakPolarHBondContact CB-O 3.3Å; K70-S156 WeakPolarHBondContact CG-O 3.34Å; K70-G157 WeakPolarHBondContact CD-O 3.43Å; K70-G157 PolarHBondContact NZ-O 2.97Å; K70-L158 HydrophobicContact CB-CD1 4.15Å; K70-L158 HydrophobicContact CB-CD2 3.91Å; K70-L158 HydrophobicContact CB-CG 3.93Å; K70-L158 HydrophobicContact CD-CD2 3.99Å; K70-L158 HydrophobicContact CD-CG 4.35Å
71	L	97.9	Very high	96.3	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-67	-38.3	176.7	-66.5	174.2	0	0	0	112.2	I52 R56 Y59 I67 S68 L74 T75 L158 F161	I52-L71 HydrophobicContact CG2-CB 4.05Å; I52-L71 HydrophobicContact CG2-CD2 4.1Å; R56-L71 HydrophobicContact CG-CD1 3.99Å; Y59-L71 HydrophobicContact CD2-CD1 4.42Å; I67-L71 HydrophobicContact CD1-CD1 4Å; I67-L71 HydrophobicContact CD1-CD2 4.2Å; I67-L71 HydrophobicContact CD1-CG 4.08Å; I67-L71 HydrophobicContact CG1-CD1 3.89Å; I67-L71 HydrophobicContact CG1-CG 4.11Å; I67-L71 WeakPolarHBondContact O-CG 3.38Å; I67-L71 PolarHBondContact O-N 2.93Å; S68-L71 PolarHBondContact O-N 3.35Å; L71-L74 PolarHBondContact O-N 3.12Å; L71-T75 WeakPolarHBondContact O-CB 3.31Å; L71-T75 PolarHBondContact O-N 3.17Å; L71-T75 PolarHBondContact O-OG1 3.47Å; L71-L158 HydrophobicContact CD2-CD1 3.97Å; L71-F161 HydrophobicContact CD2-CE1 4.05Å; L71-F161 HydrophobicContact CD2-CE2 4.03Å; L71-F161 HydrophobicContact CD2-CZ 3.68Å
72	K	97.6	Very high	96.4	Very high	121 Å²	121	68.7 Å²	68.7	53%	0.526	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-44.5	172	-72.6	172.2	-163.1	157.9	0	111.2	S68 D69 T75 R76	S68-K72 WeakPolarHBondContact O-CG 3.23Å; S68-K72 PolarHBondContact O-N 3.43Å; D69-K72 PolarHBondContact O-N 2.99Å; D69-K72 IonicContact OD1-NZ 3.81Å; D69-K72 PolarHBondContact OD1-NZ 3.31Å; K72-T75 WeakPolarHBondContact O-CB 3.49Å; K72-T75 PolarHBondContact O-N 3Å; K72-R76 PolarHBondContact O-N 3.35Å
73	E	98	Very high	96.7	Very high	54 Å²	54	70.2 Å²	70.2	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-43.3	178.5	178.7	55.5	-166.3	0	0	111.9	D69 K70 T75 R76 R77	D69-E73 PolarHBondContact O-N 3.49Å; K70-E73 PolarHBondContact O-N 2.89Å; E73-T75 VanDerWaalsContact C-N 3.32Å; E73-T75 PolarHBondContact O-N 3.33Å; E73-R76 WeakPolarHBondContact O-CB 3.43Å; E73-R76 PolarHBondContact O-N 2.98Å; E73-R76 IonicContact OE1-CZ 3.42Å; E73-R76 IonicContact OE1-NE 3.5Å; E73-R76 PolarHBondContact OE1-NE 3.47Å; E73-R76 IonicContact OE1-NH2 3.62Å; E73-R76 PolarHBondContact OE1-NH2 3.32Å; E73-R76 IonicContact OE2-CZ 2.81Å; E73-R76 IonicContact OE2-NE 2.77Å; E73-R76 PolarHBondContact OE2-NE 3.3Å; E73-R76 IonicContact OE2-NH2 3.81Å; E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 3.26Å; E73-R77 IonicContact OE1-CZ 3.58Å; E73-R77 IonicContact OE1-NE 3.65Å; E73-R77 PolarHBondContact OE1-NE 2.95Å; E73-R77 IonicContact OE1-NH2 2.81Å; E73-R77 PolarHBondContact OE1-NH2 3.41Å
74	L	98.2	Very high	96.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-45.7	172.8	177.4	57.7	0	0	0	111.5	I52 K70 L71 R76 R77 I78 M152 V153 S156 L158 F161	I52-L74 HydrophobicContact CD1-CD2 3.91Å; I52-L74 HydrophobicContact CD1-CG 4.2Å; K70-L74 WeakPolarHBondContact O-CB 3.08Å; K70-L74 PolarHBondContact O-N 3.39Å; L71-L74 PolarHBondContact O-N 3.12Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.96Å; L74-R77 PolarHBondContact O-N 3.5Å; L74-I78 HydrophobicContact CD1-CD1 3.79Å; L74-I78 HydrophobicContact CD1-CG1 4.07Å; L74-I78 HydrophobicContact CD2-CD1 4.47Å; L74-I78 HydrophobicContact CG-CD1 3.76Å; L74-I78 HydrophobicContact CG-CG1 4.45Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 3.21Å; L74-M152 HydrophobicContact CD1-CB 4.21Å; L74-V153 HydrophobicContact CD1-CB 4.5Å; L74-V153 HydrophobicContact CD1-CG2 3.82Å; L74-V153 HydrophobicContact CD2-CG2 3.92Å; L74-S156 WeakPolarHBondContact CA-OG 3.34Å; L74-S156 PolarHBondContact N-OG 3.48Å; L74-L158 HydrophobicContact CB-CD1 4.16Å; L74-L158 HydrophobicContact CD2-CD1 3.8Å; L74-F161 HydrophobicContact CD2-CD1 3.82Å; L74-F161 HydrophobicContact CD2-CE1 3.63Å
75	T	98.1	Very high	97	Very high	27 Å²	27	57.4 Å²	57.4	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-43.1	177.5	-59.7	0	0	0	0	111.7	I49 I52 L71 K72 E73 I78 C79	I49-T75 HydrophobicContact CB-CG2 4.29Å; I49-T75 HydrophobicContact CG1-CG2 4.21Å; I49-T75 HydrophobicContact CG2-CG2 3.64Å; I52-T75 WeakPolarHBondContact CG2-OG1 3.49Å; L71-T75 WeakPolarHBondContact O-CB 3.31Å; L71-T75 PolarHBondContact O-N 3.17Å; L71-T75 PolarHBondContact O-OG1 3.47Å; K72-T75 WeakPolarHBondContact O-CB 3.49Å; K72-T75 PolarHBondContact O-N 3Å; E73-T75 VanDerWaalsContact C-N 3.32Å; E73-T75 PolarHBondContact O-N 3.33Å; T75-I78 PolarHBondContact O-N 2.99Å; T75-C79 WeakPolarHBondContact O-CB 3.5Å; T75-C79 PolarHBondContact O-N 3.23Å
76	R	98	Very high	97	Very high	129 Å²	129	56.2 Å²	56.2	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-45.2	176.4	-171	-164.2	66.7	73	1.4	111.3	K72 E73 L74 C79 H80	K72-R76 PolarHBondContact O-N 3.35Å; E73-R76 WeakPolarHBondContact O-CB 3.43Å; E73-R76 PolarHBondContact O-N 2.98Å; E73-R76 IonicContact OE1-CZ 3.42Å; E73-R76 IonicContact OE1-NE 3.5Å; E73-R76 PolarHBondContact OE1-NE 3.47Å; E73-R76 IonicContact OE1-NH2 3.62Å; E73-R76 PolarHBondContact OE1-NH2 3.32Å; E73-R76 IonicContact OE2-CZ 2.81Å; E73-R76 IonicContact OE2-NE 2.77Å; E73-R76 PolarHBondContact OE2-NE 3.3Å; E73-R76 IonicContact OE2-NH2 3.81Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.96Å; R76-C79 WeakPolarHBondContact O-CB 3.49Å; R76-C79 PolarHBondContact O-N 3.49Å; R76-H80 PolarHBondContact O-N 2.82Å
77	R	97.5	Very high	97	Very high	62 Å²	62	53.6 Å²	53.6	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-44.8	178.3	-69.4	179.5	-173.3	-88.3	-12.5	112.3	E73 L74 C79 H80 L81 M152	E73-R77 WeakPolarHBondContact O-CG 3.49Å; E73-R77 PolarHBondContact O-N 3.26Å; E73-R77 IonicContact OE1-CZ 3.58Å; E73-R77 IonicContact OE1-NE 3.65Å; E73-R77 PolarHBondContact OE1-NE 2.95Å; E73-R77 IonicContact OE1-NH2 2.81Å; E73-R77 PolarHBondContact OE1-NH2 3.41Å; L74-R77 PolarHBondContact O-N 3.5Å; R77-C79 VanDerWaalsContact C-N 3.29Å; R77-C79 PolarHBondContact O-N 2.91Å; R77-H80 WeakPolarHBondContact O-CB 3.21Å; R77-H80 PolarHBondContact O-N 3.01Å; R77-H80 VanDerWaalsContact O-N 3.16Å; R77-L81 PolarHBondContact O-N 3.36Å; R77-M152 HydrophobicContact CB-CB 4.21Å; R77-M152 HydrophobicContact CB-CE 4.44Å; R77-M152 HydrophobicContact CB-CG 4.1Å; R77-M152 HydrophobicContact CB-SD 3.75Å
78	I	98	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-37.6	176.2	-64.3	164.8	0	0	0	110.8	L45 L48 I49 I52 L74 T75 H80 L81 R82	L45-I78 HydrophobicContact CB-CG2 4.02Å; L45-I78 HydrophobicContact CD2-CG2 4.02Å; L48-I78 HydrophobicContact CD2-CD1 3.81Å; L48-I78 HydrophobicContact CG-CD1 4.14Å; I49-I78 HydrophobicContact CD1-CB 4.42Å; I49-I78 HydrophobicContact CD1-CG2 3.91Å; I49-I78 HydrophobicContact CG1-CB 4.05Å; I49-I78 HydrophobicContact CG1-CG2 3.67Å; I52-I78 HydrophobicContact CD1-CD1 3.69Å; L74-I78 HydrophobicContact CD1-CD1 3.79Å; L74-I78 HydrophobicContact CD1-CG1 4.07Å; L74-I78 HydrophobicContact CD2-CD1 4.47Å; L74-I78 HydrophobicContact CG-CD1 3.76Å; L74-I78 HydrophobicContact CG-CG1 4.45Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 3.21Å; T75-I78 PolarHBondContact O-N 2.99Å; I78-H80 VanDerWaalsContact C-N 3.32Å; I78-H80 PolarHBondContact O-N 3.36Å; I78-L81 PolarHBondContact O-N 3.41Å; I78-R82 WeakPolarHBondContact O-CB 3.46Å; I78-R82 PolarHBondContact O-N 3.5Å
79	C	97.9	Very high	96.7	Very high	57 Å²	57	58.7 Å²	58.7	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-39	175.3	-170.4	0	0	0	0	112.1	I49 T75 R76 R77 Y83	I49-C79 HydrophobicContact CD1-CB 3.96Å; T75-C79 WeakPolarHBondContact O-CB 3.5Å; T75-C79 PolarHBondContact O-N 3.23Å; R76-C79 WeakPolarHBondContact O-CB 3.49Å; R76-C79 PolarHBondContact O-N 3.49Å; R77-C79 VanDerWaalsContact C-N 3.29Å; R77-C79 PolarHBondContact O-N 2.91Å; C79-Y83 PolarHBondContact O-N 3.49Å
80	H	96.6	Very high	96.5	Very high	70 Å²	70	54.7 Å²	54.7	32%	0.324	25%	0.254	S	S	.	.	H	α-helix	trans	-68	-46.3	174.9	-172.2	67	0	0	0	111.7	R76 R77 I78 R82 Y83 D84	R76-H80 PolarHBondContact O-N 2.82Å; R77-H80 WeakPolarHBondContact O-CB 3.21Å; R77-H80 PolarHBondContact O-N 3.01Å; R77-H80 VanDerWaalsContact O-N 3.16Å; I78-H80 VanDerWaalsContact C-N 3.32Å; I78-H80 PolarHBondContact O-N 3.36Å; H80-R82 PolarHBondContact O-N 2.91Å; H80-Y83 WeakPolarHBondContact O-CA 3.43Å; H80-Y83 WeakPolarHBondContact O-CB 3.27Å; H80-Y83 PolarHBondContact O-N 2.82Å; H80-D84 IonicContact CD2-OD2 2.88Å; H80-D84 PolarHBondContact CD2-OD2 3.08Å; H80-D84 IonicContact CE1-OD1 3.62Å; H80-D84 IonicContact NE2-OD1 2.72Å; H80-D84 IonicContact NE2-OD2 2.72Å; H80-D84 PolarHBondContact O-N 3.27Å
81	L	97.2	Very high	96.3	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-53.4	-42.9	173.3	-179.7	59	0	0	0	112.2	L45 R77 I78 Y83 D84 I85 W133 L145 R148 I149 M152	L45-L81 HydrophobicContact CD1-CD2 4.38Å; L45-L81 HydrophobicContact CD1-CG 4.12Å; L45-L81 HydrophobicContact CD2-CD2 4.32Å; R77-L81 PolarHBondContact O-N 3.36Å; I78-L81 PolarHBondContact O-N 3.41Å; L81-Y83 VanDerWaalsContact C-N 3.34Å; L81-Y83 PolarHBondContact O-N 2.92Å; L81-D84 PolarHBondContact O-N 2.8Å; L81-I85 HydrophobicContact CD1-CD1 4.16Å; L81-I85 HydrophobicContact CD1-CG1 4.47Å; L81-I85 HydrophobicContact CG-CD1 4.06Å; L81-I85 WeakPolarHBondContact O-CG1 3.19Å; L81-I85 PolarHBondContact O-N 3.47Å; L81-W133 HydrophobicContact CD1-CH2 3.85Å; L81-W133 HydrophobicContact CD1-CZ2 3.45Å; L81-W133 VanDerWaalsContact CD1-CZ2 3.45Å; L81-L145 HydrophobicContact CD2-CD1 3.95Å; L81-L145 HydrophobicContact CG-CD1 4.34Å; L81-R148 HydrophobicContact CD1-CG 3.89Å; L81-R148 HydrophobicContact CD2-CG 4.1Å; L81-I149 HydrophobicContact CD2-CG1 3.95Å; L81-M152 HydrophobicContact CB-CE 3.74Å; L81-M152 HydrophobicContact CB-SD 4.03Å; L81-M152 HydrophobicContact CD1-CE 4.28Å; L81-M152 HydrophobicContact CD2-CE 4.26Å; L81-M152 HydrophobicContact CD2-SD 3.97Å; L81-M152 HydrophobicContact CG-CE 4.32Å
82	R	97.3	Very high	96.2	Very high	68 Å²	68	51.3 Å²	51.3	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-45.2	176.4	-166.8	-178.9	100.9	-108.2	5.4	111.6	P42 L45 S46 I78 H80 D84 M86	P42-R82 HydrophobicContact CB-CG 4.06Å; P42-R82 WeakPolarHBondContact O-CD 3.46Å; L45-R82 HydrophobicContact CB-CB 4.12Å; L45-R82 HydrophobicContact CB-CG 4.11Å; L45-R82 HydrophobicContact CD1-CB 3.84Å; L45-R82 HydrophobicContact CD1-CG 4.17Å; S46-R82 WeakPolarHBondContact OG-CD 3.32Å; S46-R82 PolarHBondContact OG-NE 2.96Å; I78-R82 WeakPolarHBondContact O-CB 3.46Å; I78-R82 PolarHBondContact O-N 3.5Å; H80-R82 PolarHBondContact O-N 2.91Å; R82-D84 VanDerWaalsContact C-N 3.34Å; R82-M86 HydrophobicContact CG-SD 4.07Å; R82-M86 WeakPolarHBondContact O-CB 3.42Å; R82-M86 VanDerWaalsContact O-CG 3.23Å; R82-M86 WeakPolarHBondContact O-CG 3.15Å; R82-M86 PolarHBondContact O-N 2.95Å
83	Y	96	Very high	96.2	Very high	126 Å²	126	46.9 Å²	46.9	49%	0.494	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-42.2	176.7	172.1	-94.9	0	0	0	111.8	C79 H80 L81 I85 M86 T87	C79-Y83 PolarHBondContact O-N 3.49Å; H80-Y83 WeakPolarHBondContact O-CA 3.43Å; H80-Y83 WeakPolarHBondContact O-CB 3.27Å; H80-Y83 PolarHBondContact O-N 2.82Å; L81-Y83 VanDerWaalsContact C-N 3.34Å; L81-Y83 PolarHBondContact O-N 2.92Å; Y83-I85 PolarHBondContact O-N 3.45Å; Y83-M86 PolarHBondContact O-N 3.44Å; Y83-T87 HydrophobicContact CD2-CG2 4.03Å; Y83-T87 HydrophobicContact CE1-CG2 4.43Å; Y83-T87 HydrophobicContact CE2-CG2 3.66Å; Y83-T87 WeakPolarHBondContact O-CB 3.45Å; Y83-T87 WeakPolarHBondContact O-CG2 3.28Å; Y83-T87 PolarHBondContact O-N 3.18Å; Y83-T87 PolarHBondContact O-OG1 2.86Å
84	D	95.3	Very high	96.2	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.08	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-45.6	179.5	-69.7	-14.9	0	0	0	112	H80 L81 R82 T87 N88 K89	H80-D84 IonicContact CD2-OD2 2.88Å; H80-D84 PolarHBondContact CD2-OD2 3.08Å; H80-D84 IonicContact CE1-OD1 3.62Å; H80-D84 IonicContact NE2-OD1 2.72Å; H80-D84 IonicContact NE2-OD2 2.72Å; H80-D84 PolarHBondContact O-N 3.27Å; L81-D84 PolarHBondContact O-N 2.8Å; R82-D84 VanDerWaalsContact C-N 3.34Å; D84-T87 CarbonylContact O-C 3.58Å; D84-T87 PolarHBondContact O-N 3.41Å; D84-N88 PolarHBondContact O-N 3.37Å; D84-K89 HydrophobicContact CB-CB 3.9Å; D84-K89 HydrophobicContact CB-CG 4.1Å; D84-K89 PolarHBondContact O-N 3.48Å
85	I	94.8	Very high	96.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-49.7	175.8	-65.6	161.4	0	0	0	110.4	I37 W41 L45 L81 Y83 T87 N88 W133 Y134 L145	I37-I85 HydrophobicContact CG2-CG2 4.3Å; W41-I85 HydrophobicContact CE3-CG2 4.1Å; L45-I85 HydrophobicContact CD1-CD1 3.6Å; L81-I85 HydrophobicContact CD1-CD1 4.16Å; L81-I85 HydrophobicContact CD1-CG1 4.47Å; L81-I85 HydrophobicContact CG-CD1 4.06Å; L81-I85 WeakPolarHBondContact O-CG1 3.19Å; L81-I85 PolarHBondContact O-N 3.47Å; Y83-I85 PolarHBondContact O-N 3.45Å; I85-T87 PolarHBondContact O-N 2.93Å; I85-N88 PolarHBondContact O-N 3.33Å; I85-N88 VanDerWaalsContact O-N 3.15Å; I85-W133 HydrophobicContact CD1-CH2 4.2Å; I85-W133 HydrophobicContact CD1-CZ2 4.29Å; I85-W133 HydrophobicContact CD1-CZ3 4.36Å; I85-W133 HydrophobicContact CG1-CD2 3.61Å; I85-W133 HydrophobicContact CG1-CE3 3.94Å; I85-W133 HydrophobicContact CG1-CG 4.09Å; I85-W133 HydrophobicContact CG1-CH2 4.06Å; I85-W133 HydrophobicContact CG1-CZ2 3.78Å; I85-W133 HydrophobicContact CG1-CZ3 4.14Å; I85-Y134 WeakPolarHBondContact O-CE2 3.38Å; I85-L145 HydrophobicContact CD1-CD1 3.51Å
86	M	95.3	Very high	95.9	Very high	105 Å²	105	51.1 Å²	51.1	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-26.5	-177.5	-72.4	-179.8	71.7	0	0	113.3	P42 R82 Y83	P42-M86 HydrophobicContact CB-CG 3.93Å; P42-M86 HydrophobicContact CB-SD 3.94Å; P42-M86 HydrophobicContact CG-CG 3.61Å; P42-M86 HydrophobicContact CG-SD 4.3Å; R82-M86 HydrophobicContact CG-SD 4.07Å; R82-M86 WeakPolarHBondContact O-CB 3.42Å; R82-M86 VanDerWaalsContact O-CG 3.23Å; R82-M86 WeakPolarHBondContact O-CG 3.15Å; R82-M86 PolarHBondContact O-N 2.95Å; Y83-M86 PolarHBondContact O-N 3.44Å
87	T	94.1	Very high	95.6	Very high	60 Å²	60	46.2 Å²	46.2	37%	0.368	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12.8	179.3	61.1	0	0	0	0	113.3	Y83 D84 I85 K89	Y83-T87 HydrophobicContact CD2-CG2 4.03Å; Y83-T87 HydrophobicContact CE1-CG2 4.43Å; Y83-T87 HydrophobicContact CE2-CG2 3.66Å; Y83-T87 WeakPolarHBondContact O-CB 3.45Å; Y83-T87 WeakPolarHBondContact O-CG2 3.28Å; Y83-T87 PolarHBondContact O-N 3.18Å; Y83-T87 PolarHBondContact O-OG1 2.86Å; D84-T87 CarbonylContact O-C 3.58Å; D84-T87 PolarHBondContact O-N 3.41Å; I85-T87 PolarHBondContact O-N 2.93Å; T87-K89 VanDerWaalsContact C-N 3.31Å; T87-K89 PolarHBondContact O-N 3.45Å; T87-K89 WeakPolarHBondContact OG1-CE 3.46Å; T87-K89 WeakPolarHBondContact OG1-CG 3.49Å
88	N	93.3	Very high	95.3	Very high	58 Å²	58	45.9 Å²	45.9	31%	0.31	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	51	-179.2	-170	31.5	0	0	0	112.8	D84 I85 C132 W133 Y134	D84-N88 PolarHBondContact O-N 3.37Å; I85-N88 PolarHBondContact O-N 3.33Å; I85-N88 VanDerWaalsContact O-N 3.15Å; N88-C132 WeakPolarHBondContact OD1-CB 3.37Å; N88-W133 PolarHBondContact OD1-N 3.24Å; N88-W133 VanDerWaalsContact OD1-N 3.1Å; N88-Y134 HydrophobicContact CB-CD2 3.76Å; N88-Y134 HydrophobicContact CB-CE2 3.99Å; N88-Y134 VanDerWaalsContact CG-CD2 3.41Å; N88-Y134 WeakPolarHBondContact OD1-CD2 3.43Å; N88-Y134 PolarHBondContact OD1-N 3.44Å
89	K	93.4	Very high	95.1	Very high	80 Å²	80	48.6 Å²	48.6	35%	0.348	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71	159	175.5	-64.1	-59.9	-176	-177.6	0	111.7	D84 T87 C132 W133	D84-K89 HydrophobicContact CB-CB 3.9Å; D84-K89 HydrophobicContact CB-CG 4.1Å; D84-K89 PolarHBondContact O-N 3.48Å; T87-K89 VanDerWaalsContact C-N 3.31Å; T87-K89 PolarHBondContact O-N 3.45Å; T87-K89 WeakPolarHBondContact OG1-CE 3.46Å; T87-K89 WeakPolarHBondContact OG1-CG 3.49Å; K89-C132 WeakPolarHBondContact O-CA 3.48Å; K89-W133 PolarHBondContact O-N 3.27Å
90	P	93.5	Very high	94.8	Very high	30 Å²	30	47.8 Å²	47.8	20%	0.195	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-54.2	142.4	168.7	-29	37.9	0	0	0	112.9	L118 H130	P90-L118 HydrophobicContact CB-CD1 3.51Å; P90-L118 HydrophobicContact CG-CD1 4.2Å; P90-H130 HydrophobicContact CB-CB 3.8Å; P90-H130 HydrophobicContact CG-CB 3.96Å
91	L	94.7	Very high	94.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-72.7	160.1	167.1	-75.7	74.2	0	0	0	109.8	L111 V116 A131 C132 W133 L136 Y144	L91-L111 HydrophobicContact CD2-CD2 4.36Å; L91-V116 HydrophobicContact CB-CG1 4.01Å; L91-V116 HydrophobicContact CB-CG2 3.77Å; L91-V116 HydrophobicContact CD2-CG2 4.28Å; L91-A131 WeakPolarHBondContact CD1-O 3.43Å; L91-A131 PolarHBondContact N-O 3.05Å; L91-C132 WeakPolarHBondContact CD1-O 3.46Å; L91-W133 HydrophobicContact CD1-CB 4.4Å; L91-W133 HydrophobicContact CD1-CD2 4.14Å; L91-W133 HydrophobicContact CD1-CG 4.03Å; L91-W133 HydrophobicContact CG-CD2 4.33Å; L91-L136 HydrophobicContact CD1-CD1 3.76Å; L91-L136 HydrophobicContact CD2-CD1 4.07Å; L91-L136 HydrophobicContact CD2-CD2 3.77Å; L91-Y144 HydrophobicContact CB-CE1 4.16Å; L91-Y144 HydrophobicContact CD2-CD1 3.45Å; L91-Y144 VanDerWaalsContact CD2-CD1 3.45Å; L91-Y144 HydrophobicContact CD2-CE1 3.4Å; L91-Y144 VanDerWaalsContact CD2-CE1 3.4Å; L91-Y144 HydrophobicContact CD2-CE2 4.46Å; L91-Y144 HydrophobicContact CD2-CG 4.01Å; L91-Y144 HydrophobicContact CG-CD1 4.14Å; L91-Y144 HydrophobicContact CG-CE1 3.62Å
92	T	96.2	Very high	94.6	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.074	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-125.3	164.2	172.2	77.8	0	0	0	0	111.8	L118 E119 Y144 R148	T92-L118 CarbonylContact C-O 3.41Å; T92-L118 WeakPolarHBondContact CA-O 3.42Å; T92-L118 VanDerWaalsContact CB-O 3.25Å; T92-L118 WeakPolarHBondContact CB-O 3.41Å; T92-L118 HydrophobicContact CG2-CB 4.1Å; T92-E119 WeakPolarHBondContact CB-O 3.31Å; T92-E119 PolarHBondContact OG1-O 3.41Å; T92-Y144 PolarHBondContact N-OH 3.48Å; T92-Y144 VanDerWaalsContact N-OH 3.16Å; T92-Y144 PolarHBondContact O-OH 3.44Å; T92-R148 VanDerWaalsContact C-NH2 3.25Å; T92-R148 PolarHBondContact O-NH2 2.88Å; T92-R148 VanDerWaalsContact OG1-CZ 3.27Å; T92-R148 PolarHBondContact OG1-NH1 3.29Å; T92-R148 PolarHBondContact OG1-NH2 3.42Å
93	L	97.1	Very high	94.6	Very high	29 Å²	29	46.4 Å²	46.4	15%	0.152	26%	0.259	C	S	.	.			trans	-65.3	153.2	171.9	-63.9	176	0	0	0	110.9	N108 L111 V116 L118 E119 R148	L93-N108 HydrophobicContact CD2-CB 4.22Å; L93-L111 HydrophobicContact CD2-CB 3.96Å; L93-L111 HydrophobicContact CD2-CD1 4.46Å; L93-V116 HydrophobicContact CD2-CG1 4.29Å; L93-L118 PolarHBondContact N-O 3.01Å; L93-E119 HydrophobicContact CD1-CG 4.45Å; L93-R148 PolarHBondContact O-NH2 3.15Å
94	L	97.8	Very high	94.7	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.244	C	C	.	.			trans	-80.7	144.9	174.1	-61.2	171	0	0	0	109.6	L104 W107 N108 L111 Y144 R147 R148 D151	L94-L104 HydrophobicContact CB-CD1 3.67Å; L94-W107 HydrophobicContact CD1-CB 3.71Å; L94-W107 HydrophobicContact CD1-CD2 4.22Å; L94-W107 HydrophobicContact CD1-CG 3.85Å; L94-N108 PolarHBondContact N-OD1 3.26Å; L94-N108 PolarHBondContact O-ND2 3.41Å; L94-N108 PolarHBondContact O-OD1 3.03Å; L94-L111 HydrophobicContact CD1-CD1 4.42Å; L94-L111 HydrophobicContact CG-CD1 4.09Å; L94-Y144 HydrophobicContact CD2-CE2 4.02Å; L94-Y144 HydrophobicContact CG-CE2 4.33Å; L94-R147 HydrophobicContact CD1-CB 4.48Å; L94-R147 HydrophobicContact CD1-CG 3.44Å; L94-R147 VanDerWaalsContact CD1-CG 3.44Å; L94-R147 HydrophobicContact CD2-CG 4.39Å; L94-R148 HydrophobicContact CD2-CB 4.38Å; L94-D151 HydrophobicContact CD2-CB 3.85Å
95	S	95.9	Very high	94.8	Very high	65 Å²	65	47.3 Å²	47.3	46%	0.455	27%	0.268	S	S	.	.			trans	-107.6	-27.5	-176.1	-53.4	0	0	0	0	112.8	D151	S95-D151 PolarHBondContact N-OD1 2.74Å; S95-D151 VanDerWaalsContact N-OD1 3.1Å
96	F	94.5	Very high	94.9	Very high	100 Å²	100	47.6 Å²	47.6	44%	0.439	27%	0.27	S	S	.	.			trans	-133.5	147.6	-173.9	-59	-90.1	0	0	0	112.4	R147 D151 V154 Q155	F96-R147 PolarHBondContact O-NH1 2.78Å; F96-R147 PolarHBondContact O-NH2 3.17Å; F96-D151 PolarHBondContact N-OD1 3.44Å; F96-V154 HydrophobicContact CB-CB 4.01Å; F96-V154 HydrophobicContact CB-CG1 3.64Å; F96-V154 HydrophobicContact CD1-CG1 4.26Å; F96-V154 HydrophobicContact CG-CG1 4.1Å; F96-Q155 HydrophobicContact CD2-CB 4.45Å; F96-Q155 HydrophobicContact CD2-CG 3.19Å; F96-Q155 HydrophobicContact CE2-CG 3.32Å; F96-Q155 HydrophobicContact CG-CG 4.23Å; F96-Q155 HydrophobicContact CZ-CG 4.39Å
97	S	92.2	Very high	95	Very high	26 Å²	26	42.6 Å²	42.6	18%	0.182	25%	0.245	C	C	.	.			trans	-136.2	130.8	171.4	-177	0	0	0	0	111.7	L99 G100 E103 R147	S97-L99 PolarHBondContact O-N 2.86Å; S97-L99 PolarHBondContact OG-N 2.91Å; S97-G100 WeakPolarHBondContact CB-O 3.21Å; S97-G100 PolarHBondContact OG-O 2.96Å; S97-E103 WeakPolarHBondContact CB-OE2 3.46Å; S97-E103 PolarHBondContact OG-OE2 2.97Å; S97-R147 VanDerWaalsContact CA-NH2 3.34Å; S97-R147 VanDerWaalsContact CB-NH2 3.28Å; S97-R147 PolarHBondContact OG-NH2 3.45Å
98	P	90.2	Very high	95.2	Very high	55 Å²	55	41.4 Å²	41.4	36%	0.357	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.5	167.2	34.9	-35.1	0	0	0	112.6	I150 V154 I307	P98-I150 HydrophobicContact CG-CG2 3.99Å; P98-V154 HydrophobicContact CB-CG2 4.35Å; P98-V154 HydrophobicContact CG-CG2 4.42Å; P98-I307 HydrophobicContact CG-CG2 3.43Å; P98-I307 VanDerWaalsContact CG-CG2 3.43Å
99	L	93.3	Very high	95.4	Very high	58 Å²	58	41.7 Å²	41.7	30%	0.304	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-1.3	-175.3	-57.9	-178.8	0	0	0	114	S97 E103 I307	S97-L99 PolarHBondContact O-N 2.86Å; S97-L99 PolarHBondContact OG-N 2.91Å; L99-E103 HydrophobicContact CB-CB 4.05Å; L99-E103 HydrophobicContact CB-CG 4.14Å; L99-E103 HydrophobicContact CD1-CG 4.07Å; L99-I307 HydrophobicContact CD1-CG2 4Å; L99-I307 HydrophobicContact CD2-CG2 3.94Å; L99-I307 HydrophobicContact CG-CG2 3.89Å
100	G	92.8	Very high	95.6	Very high	39 Å²	39	38.2 Å²	38.2	40%	0.402	22%	0.221	S	C	.	.			trans	104.2	176.1	178.8	0	0	0	0	0	114.4	S97 L104	S97-G100 WeakPolarHBondContact CB-O 3.21Å; S97-G100 PolarHBondContact OG-O 2.96Å; G100-L104 PolarHBondContact O-N 2.99Å
101	S	95	Very high	95.8	Very high	61 Å²	61	36.8 Å²	36.8	43%	0.427	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-42.5	-175.8	45	0	0	0	0	112.9	E103 L104 E105	S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.26Å; S101-L104 WeakPolarHBondContact O-CB 3.42Å; S101-L104 PolarHBondContact O-N 3.45Å; S101-E105 WeakPolarHBondContact O-CB 3.26Å; S101-E105 WeakPolarHBondContact O-CG 3.39Å; S101-E105 PolarHBondContact O-N 3.33Å
102	T	94.8	Very high	95.8	Very high	49 Å²	49	39.6 Å²	39.6	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-55.7	-44.2	-178.4	-49.4	0	0	0	0	112.6	V14 L106	V14-T102 HydrophobicContact CG2-CG2 3.94Å; T102-L106 WeakPolarHBondContact O-CB 3.48Å; T102-L106 PolarHBondContact O-N 2.94Å; T102-L106 VanDerWaalsContact O-N 3.1Å
103	E	96.4	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-40.2	177.3	-177.4	-90.8	178.1	0	0	112	S97 L99 S101 L106 W107 R147 Y364	S97-E103 WeakPolarHBondContact CB-OE2 3.46Å; S97-E103 PolarHBondContact OG-OE2 2.97Å; L99-E103 HydrophobicContact CB-CB 4.05Å; L99-E103 HydrophobicContact CB-CG 4.14Å; L99-E103 HydrophobicContact CD1-CG 4.07Å; S101-E103 VanDerWaalsContact C-N 3.32Å; S101-E103 PolarHBondContact O-N 3.26Å; E103-L106 PolarHBondContact O-N 3.17Å; E103-W107 VanDerWaalsContact CD-CD1 3.49Å; E103-W107 PolarHBondContact O-N 3.26Å; E103-W107 VanDerWaalsContact O-N 3.08Å; E103-W107 PolarHBondContact OE1-NE1 3.29Å; E103-R147 IonicContact OE1-CZ 3.05Å; E103-R147 IonicContact OE1-NE 2.74Å; E103-R147 PolarHBondContact OE1-NE 3.29Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 IonicContact OE2-CZ 2.98Å; E103-R147 IonicContact OE2-NE 3.75Å; E103-R147 IonicContact OE2-NH2 3.56Å; E103-R147 PolarHBondContact OE2-NH2 2.83Å; E103-Y364 HydrophobicContact CB-CD2 4.3Å; E103-Y364 HydrophobicContact CB-CG 4.35Å; E103-Y364 HydrophobicContact CG-CD2 4.23Å; E103-Y364 HydrophobicContact CG-CG 4.4Å
104	L	97.6	Very high	95.5	Very high	33 Å²	33	43 Å²	43	17%	0.173	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-43.3	179.9	-175.1	59.4	0	0	0	111.7	L94 G100 S101 W107 N108	L94-L104 HydrophobicContact CB-CD1 3.67Å; G100-L104 PolarHBondContact O-N 2.99Å; S101-L104 WeakPolarHBondContact O-CB 3.42Å; S101-L104 PolarHBondContact O-N 3.45Å; L104-W107 PolarHBondContact O-N 3.14Å; L104-N108 WeakPolarHBondContact O-CB 3.36Å; L104-N108 PolarHBondContact O-N 2.98Å
105	E	97.9	Very high	95.2	Very high	126 Å²	126	44 Å²	44	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-61.9	-44	177	-74.9	169.8	-163.8	0	0	111.1	S101 N108 H109	S101-E105 WeakPolarHBondContact O-CB 3.26Å; S101-E105 WeakPolarHBondContact O-CG 3.39Å; S101-E105 PolarHBondContact O-N 3.33Å; E105-N108 PolarHBondContact O-N 2.93Å; E105-H109 VanDerWaalsContact O-CB 3.27Å; E105-H109 WeakPolarHBondContact O-CB 3.18Å; E105-H109 PolarHBondContact O-N 3.46Å
106	L	97.5	Very high	95.1	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-50.6	174	174.7	64.5	0	0	0	111.4	V14 T102 E103 N108 H109 L110 Y364 T368 V378	V14-L106 HydrophobicContact CG1-CD1 4.37Å; T102-L106 WeakPolarHBondContact O-CB 3.48Å; T102-L106 PolarHBondContact O-N 2.94Å; T102-L106 VanDerWaalsContact O-N 3.1Å; E103-L106 PolarHBondContact O-N 3.17Å; L106-N108 PolarHBondContact O-N 3.35Å; L106-H109 WeakPolarHBondContact O-CB 3.27Å; L106-H109 PolarHBondContact O-N 3.29Å; L106-L110 HydrophobicContact CD1-CD1 4.1Å; L106-L110 HydrophobicContact CD1-CG 4.13Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 HydrophobicContact CG-CG 4.43Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.25Å; L106-Y364 HydrophobicContact CD2-CD2 4.45Å; L106-Y364 HydrophobicContact CD2-CE2 3.92Å; L106-T368 HydrophobicContact CD2-CG2 3.83Å; L106-V378 HydrophobicContact CD2-CG1 3.49Å; L106-V378 VanDerWaalsContact CD2-CG1 3.49Å
107	W	98	Very high	94.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-44.8	179.5	-92.7	107.8	0	0	0	113	L94 E103 L104 H109 L110 L111 F140 C143 R147 W309 T367 T368	L94-W107 HydrophobicContact CD1-CB 3.71Å; L94-W107 HydrophobicContact CD1-CD2 4.22Å; L94-W107 HydrophobicContact CD1-CG 3.85Å; E103-W107 VanDerWaalsContact CD-CD1 3.49Å; E103-W107 PolarHBondContact O-N 3.26Å; E103-W107 VanDerWaalsContact O-N 3.08Å; E103-W107 PolarHBondContact OE1-NE1 3.29Å; L104-W107 PolarHBondContact O-N 3.14Å; W107-H109 VanDerWaalsContact C-N 3.31Å; W107-H109 PolarHBondContact O-N 2.84Å; W107-L110 PolarHBondContact O-N 2.95Å; W107-L111 WeakPolarHBondContact O-CB 3.48Å; W107-L111 VanDerWaalsContact O-CG 3.28Å; W107-L111 WeakPolarHBondContact O-CG 3.49Å; W107-L111 PolarHBondContact O-N 3.44Å; W107-F140 HydrophobicContact CZ3-CZ 4.47Å; W107-C143 HydrophobicContact CH2-CB 3.81Å; W107-R147 HydrophobicContact CD2-CG 4.18Å; W107-R147 HydrophobicContact CG-CG 4.42Å; W107-R147 HydrophobicContact CH2-CB 4.37Å; W107-R147 HydrophobicContact CZ2-CB 3.98Å; W107-R147 HydrophobicContact CZ2-CG 4.12Å; W107-W309 HydrophobicContact CH2-CH2 4.26Å; W107-W309 AromaticContact CZ2-CH2 3.74Å; W107-W309 HydrophobicContact CZ2-CH2 3.74Å; W107-W309 HydrophobicContact CZ2-CZ3 4.44Å; W107-T367 VanDerWaalsContact CZ2-O 3.3Å; W107-T367 WeakPolarHBondContact CZ2-O 3.34Å; W107-T367 PolarHBondContact NE1-O 3.26Å; W107-T368 VanDerWaalsContact CZ2-CA 3.47Å
108	N	98.2	Very high	94.8	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-32.2	179.4	-77.4	-19.6	0	0	0	111.8	L93 L94 L104 E105 L106 S112	L93-N108 HydrophobicContact CD2-CB 4.22Å; L94-N108 PolarHBondContact N-OD1 3.26Å; L94-N108 PolarHBondContact O-ND2 3.41Å; L94-N108 PolarHBondContact O-OD1 3.03Å; L104-N108 WeakPolarHBondContact O-CB 3.36Å; L104-N108 PolarHBondContact O-N 2.98Å; E105-N108 PolarHBondContact O-N 2.93Å; L106-N108 PolarHBondContact O-N 3.35Å; N108-S112 WeakPolarHBondContact O-CB 3.1Å; N108-S112 PolarHBondContact O-N 3.46Å; N108-S112 PolarHBondContact O-OG 2.95Å
109	H	97.4	Very high	94.8	Very high	65 Å²	65	44.8 Å²	44.8	30%	0.301	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-50.8	169.2	176.4	79.2	0	0	0	111.2	F20 E105 L106 W107 L111 S112 V113	F20-H109 AromaticContact CE2-NE2 3.81Å; E105-H109 VanDerWaalsContact O-CB 3.27Å; E105-H109 WeakPolarHBondContact O-CB 3.18Å; E105-H109 PolarHBondContact O-N 3.46Å; L106-H109 WeakPolarHBondContact O-CB 3.27Å; L106-H109 PolarHBondContact O-N 3.29Å; W107-H109 VanDerWaalsContact C-N 3.31Å; W107-H109 PolarHBondContact O-N 2.84Å; H109-L111 VanDerWaalsContact C-N 3.32Å; H109-L111 PolarHBondContact O-N 3.34Å; H109-S112 WeakPolarHBondContact O-CB 3.4Å; H109-S112 PolarHBondContact O-N 3.46Å; H109-S112 VanDerWaalsContact O-N 3.12Å; H109-V113 WeakPolarHBondContact O-CG2 3.24Å; H109-V113 PolarHBondContact O-N 3.15Å
110	L	97	Very high	94.4	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-43	177.6	-71.3	175	0	0	0	112	F20 L106 W107 V113 Q114 F140	F20-L110 HydrophobicContact CE1-CD2 4.24Å; F20-L110 HydrophobicContact CZ-CD2 3.71Å; L106-L110 HydrophobicContact CD1-CD1 4.1Å; L106-L110 HydrophobicContact CD1-CG 4.13Å; L106-L110 HydrophobicContact CG-CD1 4.03Å; L106-L110 HydrophobicContact CG-CG 4.43Å; L106-L110 WeakPolarHBondContact O-CB 3.34Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.25Å; W107-L110 PolarHBondContact O-N 2.95Å; L110-V113 PolarHBondContact O-N 3.02Å; L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 2.92Å; L110-F140 HydrophobicContact CB-CE2 3.96Å; L110-F140 HydrophobicContact CB-CZ 4.12Å
111	L	96.8	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-43.9	174.5	-77.9	164.5	0	0	0	111.9	L91 L93 L94 W107 H109 V113 Q114 G115 V116 F140 Y144	L91-L111 HydrophobicContact CD2-CD2 4.36Å; L93-L111 HydrophobicContact CD2-CB 3.96Å; L93-L111 HydrophobicContact CD2-CD1 4.46Å; L94-L111 HydrophobicContact CD1-CD1 4.42Å; L94-L111 HydrophobicContact CG-CD1 4.09Å; W107-L111 WeakPolarHBondContact O-CB 3.48Å; W107-L111 VanDerWaalsContact O-CG 3.28Å; W107-L111 WeakPolarHBondContact O-CG 3.49Å; W107-L111 PolarHBondContact O-N 3.44Å; H109-L111 VanDerWaalsContact C-N 3.32Å; H109-L111 PolarHBondContact O-N 3.34Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.22Å; L111-Q114 CarbonylContact O-C 3.5Å; L111-Q114 WeakPolarHBondContact O-CA 3.5Å; L111-Q114 PolarHBondContact O-N 2.96Å; L111-Q114 VanDerWaalsContact O-N 3.08Å; L111-G115 PolarHBondContact O-N 3.06Å; L111-V116 HydrophobicContact CB-CB 3.99Å; L111-V116 HydrophobicContact CB-CG1 4.38Å; L111-V116 HydrophobicContact CB-CG2 4.45Å; L111-V116 HydrophobicContact CD2-CB 4.22Å; L111-V116 HydrophobicContact CD2-CG1 4.36Å; L111-V116 HydrophobicContact CD2-CG2 3.91Å; L111-V116 WeakPolarHBondContact O-CB 3.48Å; L111-V116 PolarHBondContact O-N 3.14Å; L111-F140 HydrophobicContact CD2-CE1 3.82Å; L111-F140 HydrophobicContact CD2-CZ 4.14Å; L111-F140 HydrophobicContact CG-CE1 4.5Å; L111-F140 HydrophobicContact CG-CZ 4.34Å; L111-Y144 HydrophobicContact CD1-CD2 3.98Å; L111-Y144 HydrophobicContact CD1-CE2 3.74Å; L111-Y144 HydrophobicContact CD2-CD2 3.55Å; L111-Y144 HydrophobicContact CD2-CE2 3.62Å; L111-Y144 HydrophobicContact CD2-CG 4.28Å; L111-Y144 HydrophobicContact CG-CD2 4.27Å; L111-Y144 HydrophobicContact CG-CE2 4.32Å
112	S	95.7	Very high	92.7	Very high	60 Å²	60	51 Å²	51	42%	0.42	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-39.4	177.7	-61.2	0	0	0	0	112.1	N108 H109 Q114 G115 V116	N108-S112 WeakPolarHBondContact O-CB 3.1Å; N108-S112 PolarHBondContact O-N 3.46Å; N108-S112 PolarHBondContact O-OG 2.95Å; H109-S112 WeakPolarHBondContact O-CB 3.4Å; H109-S112 PolarHBondContact O-N 3.46Å; H109-S112 VanDerWaalsContact O-N 3.12Å; S112-Q114 VanDerWaalsContact C-N 3.27Å; S112-Q114 PolarHBondContact O-N 3.31Å; S112-G115 PolarHBondContact O-N 3.32Å; S112-V116 WeakPolarHBondContact CA-O 3.43Å
113	V	93.7	Very high	91.9	Very high	65 Å²	65	50.9 Å²	50.9	39%	0.394	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-35	173.9	170	0	0	0	0	111.5	F20 F22 H109 L110 L111 G115	F20-V113 HydrophobicContact CE2-CG2 4.2Å; F22-V113 HydrophobicContact CE2-CG1 3.71Å; F22-V113 HydrophobicContact CZ-CG1 4.2Å; H109-V113 WeakPolarHBondContact O-CG2 3.24Å; H109-V113 PolarHBondContact O-N 3.15Å; L110-V113 PolarHBondContact O-N 3.02Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 3.22Å; V113-G115 PolarHBondContact O-N 3.4Å
114	Q	92.6	Very high	90.6	Very high	47 Å²	47	57.3 Å²	57.3	22%	0.22	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.4	173.2	-59.9	-60	-39.5	0	0	113.6	L110 L111 S112 A131 L136 F140	L110-Q114 WeakPolarHBondContact O-CG 3.45Å; L110-Q114 PolarHBondContact O-N 2.92Å; L111-Q114 CarbonylContact O-C 3.5Å; L111-Q114 WeakPolarHBondContact O-CA 3.5Å; L111-Q114 PolarHBondContact O-N 2.96Å; L111-Q114 VanDerWaalsContact O-N 3.08Å; S112-Q114 VanDerWaalsContact C-N 3.27Å; S112-Q114 PolarHBondContact O-N 3.31Å; Q114-A131 WeakPolarHBondContact O-CB 3.26Å; Q114-L136 HydrophobicContact CB-CD2 3.85Å; Q114-L136 HydrophobicContact CB-CG 4.3Å; Q114-L136 HydrophobicContact CG-CD2 4.15Å; Q114-F140 HydrophobicContact CG-CD1 4.23Å; Q114-F140 HydrophobicContact CG-CD2 4.15Å; Q114-F140 HydrophobicContact CG-CE1 3.9Å; Q114-F140 HydrophobicContact CG-CE2 3.79Å; Q114-F140 HydrophobicContact CG-CG 4.36Å; Q114-F140 HydrophobicContact CG-CZ 3.66Å
115	G	91.8	Very high	89.4	Confident	25 Å²	25	65.1 Å²	65.1	26%	0.258	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	10.8	178.6	0	0	0	0	0	115.2	L111 S112 V113	L111-G115 PolarHBondContact O-N 3.06Å; S112-G115 PolarHBondContact O-N 3.32Å; V113-G115 PolarHBondContact O-N 3.4Å
116	V	93.1	Very high	88.1	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	32%	0.32	C	S	.	.			trans	-79.5	121.8	173.5	-179.5	0	0	0	0	109.5	L91 L93 L111 S112 A131	L91-V116 HydrophobicContact CB-CG1 4.01Å; L91-V116 HydrophobicContact CB-CG2 3.77Å; L91-V116 HydrophobicContact CD2-CG2 4.28Å; L93-V116 HydrophobicContact CD2-CG1 4.29Å; L111-V116 HydrophobicContact CB-CB 3.99Å; L111-V116 HydrophobicContact CB-CG1 4.38Å; L111-V116 HydrophobicContact CB-CG2 4.45Å; L111-V116 HydrophobicContact CD2-CB 4.22Å; L111-V116 HydrophobicContact CD2-CG1 4.36Å; L111-V116 HydrophobicContact CD2-CG2 3.91Å; L111-V116 WeakPolarHBondContact O-CB 3.48Å; L111-V116 PolarHBondContact O-N 3.14Å; S112-V116 WeakPolarHBondContact CA-O 3.43Å; V116-A131 HydrophobicContact CG2-CB 4.08Å
117	K	89.7	Confident	86.9	Confident	128 Å²	128	69.9 Å²	69.9	56%	0.557	36%	0.359	S	S	*	.			trans	-128.8	-17.7	-175.2	-62.1	177.4	-175.2	174.1	0	114.3	V126	K117-V126 HydrophobicContact CB-CG1 4.2Å
118	L	91.2	Very high	85.9	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.021	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-76	140.2	-175.4	-60.2	174.5	0	0	0	110	P90 T92 L93 D123 V126 H130	P90-L118 HydrophobicContact CB-CD1 3.51Å; P90-L118 HydrophobicContact CG-CD1 4.2Å; T92-L118 CarbonylContact C-O 3.41Å; T92-L118 WeakPolarHBondContact CA-O 3.42Å; T92-L118 VanDerWaalsContact CB-O 3.25Å; T92-L118 WeakPolarHBondContact CB-O 3.41Å; T92-L118 HydrophobicContact CG2-CB 4.1Å; L93-L118 PolarHBondContact N-O 3.01Å; L118-D123 HydrophobicContact CD2-CB 3.91Å; L118-V126 HydrophobicContact CD2-CB 3.71Å; L118-V126 HydrophobicContact CD2-CG1 4.36Å; L118-V126 HydrophobicContact CD2-CG2 3.84Å; L118-H130 HydrophobicContact CD1-CB 4.15Å
119	E	90.1	Very high	85.1	Confident	131 Å²	131	76.9 Å²	76.9	61%	0.612	42%	0.421	S	S	*	.	S	Bend	trans	-87	-38	169	-65.8	-179	178.9	0	0	109.8	T92 L93 D123	T92-E119 WeakPolarHBondContact CB-O 3.31Å; T92-E119 PolarHBondContact OG1-O 3.41Å; L93-E119 HydrophobicContact CD1-CG 4.45Å; E119-D123 PolarHBondContact N-OD2 3.46Å; E119-D123 VanDerWaalsContact N-OD2 3.14Å
120	Q	84.5	Confident	84.6	Confident	121 Å²	121	75.6 Å²	75.6	57%	0.565	42%	0.415	S	S	*	.	S	Bend	trans	-128.4	152.1	177.7	-55.9	-176.3	13.5	0	0	111.2	E122 D123	Q120-E122 PolarHBondContact O-N 3.47Å; Q120-D123 PolarHBondContact N-OD2 3.23Å; Q120-D123 WeakPolarHBondContact O-CB 3.39Å; Q120-D123 PolarHBondContact O-N 2.93Å
121	S	76.3	Confident	84.3	Confident	42 Å²	42	75.9 Å²	75.9	29%	0.294	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.5	-175	73.8	0	0	0	0	112.9
122	E	75.9	Confident	84	Confident	124 Å²	124	76.9 Å²	76.9	58%	0.579	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	5.4	-178.3	-57.1	88.9	161.8	0	0	113.7	Q120 T124	Q120-E122 PolarHBondContact O-N 3.47Å; E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.94Å
123	D	77.9	Confident	83.9	Confident	48 Å²	48	74.1 Å²	74.1	26%	0.257	41%	0.405	S	S	.	.			trans	-67.7	85.2	-177.7	-77.2	-24.1	0	0	0	111.9	L118 E119 Q120 K125	L118-D123 HydrophobicContact CD2-CB 3.91Å; E119-D123 PolarHBondContact N-OD2 3.46Å; E119-D123 VanDerWaalsContact N-OD2 3.14Å; Q120-D123 PolarHBondContact N-OD2 3.23Å; Q120-D123 WeakPolarHBondContact O-CB 3.39Å; Q120-D123 PolarHBondContact O-N 2.93Å; D123-K125 PolarHBondContact O-N 3.04Å
124	T	70.4	Confident	83.8	Confident	135 Å²	135	73.1 Å²	73.1	83%	0.828	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.2	176.7	51.1	0	0	0	0	114.2	E122 V126	E122-T124 VanDerWaalsContact C-N 3.31Å; E122-T124 PolarHBondContact O-N 2.94Å; T124-V126 VanDerWaalsContact C-N 3.34Å
125	K	72	Confident	83.7	Confident	197 Å²	197	75.9 Å²	75.9	86%	0.857	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	-177.4	-66.8	-179.8	-177.9	172.9	0	113.6	D123	D123-K125 PolarHBondContact O-N 3.04Å
126	V	70.4	Confident	83.6	Confident	49 Å²	49	75.2 Å²	75.2	30%	0.297	40%	0.401	S	S	.	.	S	Bend	trans	-96.3	103.4	-177.7	-167.3	0	0	0	0	108.7	K117 L118 T124 H130	K117-V126 HydrophobicContact CB-CG1 4.2Å; L118-V126 HydrophobicContact CD2-CB 3.71Å; L118-V126 HydrophobicContact CD2-CG1 4.36Å; L118-V126 HydrophobicContact CD2-CG2 3.84Å; T124-V126 VanDerWaalsContact C-N 3.34Å; V126-H130 PolarHBondContact O-CE1 3.12Å; V126-H130 PolarHBondContact O-NE2 3.1Å
127	E	73	Confident	83.6	Confident	185 Å²	185	76.5 Å²	76.5	86%	0.864	41%	0.41	S	S	*	.			trans	-72.2	146.4	175.6	-65.1	-175.5	174.1	0	0	111.5
128	G	75.8	Confident	83.7	Confident	62 Å²	62	71.7 Å²	71.7	64%	0.639	39%	0.388	S	S	*	.	S	Bend	trans	117	-176.8	172	0	0	0	0	0	114.9	H130	G128-H130 PolarHBondContact O-CD2 3.45Å; G128-H130 PolarHBondContact O-NE2 3.15Å
129	S	81.4	Confident	83.9	Confident	119 Å²	119	72 Å²	72	83%	0.832	39%	0.39	S	S	*	.			trans	-74.3	131.5	173.8	-168.8	0	0	0	0	109.7
130	H	86.3	Confident	84.2	Confident	38 Å²	38	66.5 Å²	66.5	18%	0.176	36%	0.364	C	S	.	.			trans	-109.8	133.8	178.3	-59.1	-62.2	0	0	0	109.7	P90 L118 V126 G128 C132	P90-H130 HydrophobicContact CB-CB 3.8Å; P90-H130 HydrophobicContact CG-CB 3.96Å; L118-H130 HydrophobicContact CD1-CB 4.15Å; V126-H130 PolarHBondContact O-CE1 3.12Å; V126-H130 PolarHBondContact O-NE2 3.1Å; G128-H130 PolarHBondContact O-CD2 3.45Å; G128-H130 PolarHBondContact O-NE2 3.15Å; H130-C132 PolarHBondContact O-N 3.07Å; H130-C132 PolarHBondContact O-SG 3.02Å; H130-C132 VanDerWaalsContact O-SG 3.33Å
131	A	90.9	Very high	84.8	Confident	13 Å²	13	60.7 Å²	60.7	11%	0.107	34%	0.337	C	S	.	.			trans	-65.5	122.4	177.9	0	0	0	0	0	110	L91 Q114 V116 L136	L91-A131 WeakPolarHBondContact CD1-O 3.43Å; L91-A131 PolarHBondContact N-O 3.05Å; Q114-A131 WeakPolarHBondContact O-CB 3.26Å; V116-A131 HydrophobicContact CG2-CB 4.08Å; A131-L136 HydrophobicContact CB-CD1 3.76Å
132	C	92	Very high	85.7	Confident	20 Å²	20	59.3 Å²	59.3	14%	0.135	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-102.3	168.8	-179.9	-59.1	0	0	0	0	111.1	N88 K89 L91 H130 Y134 D135 L136	N88-C132 WeakPolarHBondContact OD1-CB 3.37Å; K89-C132 WeakPolarHBondContact O-CA 3.48Å; L91-C132 WeakPolarHBondContact CD1-O 3.46Å; H130-C132 PolarHBondContact O-N 3.07Å; H130-C132 PolarHBondContact O-SG 3.02Å; H130-C132 VanDerWaalsContact O-SG 3.33Å; C132-Y134 PolarHBondContact O-N 2.92Å; C132-D135 WeakPolarHBondContact CA-OD2 3.28Å; C132-D135 VanDerWaalsContact CB-OD2 3.26Å; C132-D135 WeakPolarHBondContact CB-OD2 3.36Å; C132-D135 PolarHBondContact N-OD2 3.33Å; C132-D135 PolarHBondContact O-N 2.9Å; C132-L136 WeakPolarHBondContact O-CD1 3.45Å
133	W	92.2	Very high	86.8	Confident	3 Å²	3	53.4 Å²	53.4	1%	0.011	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.7	-174.5	-74.9	98.5	0	0	0	114.9	W41 L81 I85 N88 K89 L91 Y144 L145	W41-W133 HydrophobicContact CZ3-CE3 4.1Å; W41-W133 HydrophobicContact CZ3-CZ3 4.44Å; L81-W133 HydrophobicContact CD1-CH2 3.85Å; L81-W133 HydrophobicContact CD1-CZ2 3.45Å; L81-W133 VanDerWaalsContact CD1-CZ2 3.45Å; I85-W133 HydrophobicContact CD1-CH2 4.2Å; I85-W133 HydrophobicContact CD1-CZ2 4.29Å; I85-W133 HydrophobicContact CD1-CZ3 4.36Å; I85-W133 HydrophobicContact CG1-CD2 3.61Å; I85-W133 HydrophobicContact CG1-CE3 3.94Å; I85-W133 HydrophobicContact CG1-CG 4.09Å; I85-W133 HydrophobicContact CG1-CH2 4.06Å; I85-W133 HydrophobicContact CG1-CZ2 3.78Å; I85-W133 HydrophobicContact CG1-CZ3 4.14Å; N88-W133 PolarHBondContact OD1-N 3.24Å; N88-W133 VanDerWaalsContact OD1-N 3.1Å; K89-W133 PolarHBondContact O-N 3.27Å; L91-W133 HydrophobicContact CD1-CB 4.4Å; L91-W133 HydrophobicContact CD1-CD2 4.14Å; L91-W133 HydrophobicContact CD1-CG 4.03Å; L91-W133 HydrophobicContact CG-CD2 4.33Å; W133-Y144 HydrophobicContact CE3-CD1 4.48Å; W133-Y144 AromaticContact CH2-CD1 3.48Å; W133-Y144 HydrophobicContact CH2-CD1 3.48Å; W133-Y144 VanDerWaalsContact CH2-CD1 3.48Å; W133-Y144 AromaticContact CH2-CE1 3.36Å; W133-Y144 HydrophobicContact CH2-CE1 3.36Å; W133-Y144 HydrophobicContact CZ2-CD1 4.25Å; W133-Y144 AromaticContact CZ2-CE1 3.69Å; W133-Y144 HydrophobicContact CZ2-CE1 3.69Å; W133-Y144 AromaticContact CZ3-CD1 3.61Å; W133-Y144 HydrophobicContact CZ3-CD1 3.61Å; W133-Y144 AromaticContact CZ3-CE1 3.93Å; W133-Y144 HydrophobicContact CZ3-CE1 3.93Å; W133-L145 HydrophobicContact CH2-CB 4.35Å; W133-L145 HydrophobicContact CH2-CD1 4.15Å; W133-L145 HydrophobicContact CZ3-CB 3.99Å; W133-L145 HydrophobicContact CZ3-CD1 4.34Å
134	Y	92.1	Very high	87.7	Confident	43 Å²	43	51.1 Å²	51.1	17%	0.169	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.4	-176.9	-69.7	-121	0	0	0	112.7	I29 L34 I37 Q38 I85 N88 C132	I29-Y134 HydrophobicContact CD1-CD1 4.21Å; I29-Y134 WeakPolarHBondContact CD1-O 3.32Å; L34-Y134 HydrophobicContact CD1-CD1 3.89Å; L34-Y134 HydrophobicContact CD1-CE1 3.7Å; I37-Y134 HydrophobicContact CG2-CD1 4.45Å; I37-Y134 HydrophobicContact CG2-CD2 4.01Å; I37-Y134 HydrophobicContact CG2-CE1 3.95Å; I37-Y134 HydrophobicContact CG2-CE2 3.46Å; I37-Y134 VanDerWaalsContact CG2-CE2 3.46Å; I37-Y134 HydrophobicContact CG2-CG 4.49Å; I37-Y134 VanDerWaalsContact CG2-CZ 3.43Å; Q38-Y134 HydrophobicContact CG-CE1 3.89Å; Q38-Y134 WeakPolarHBondContact CG-OH 3.49Å; I85-Y134 WeakPolarHBondContact O-CE2 3.38Å; N88-Y134 HydrophobicContact CB-CD2 3.76Å; N88-Y134 HydrophobicContact CB-CE2 3.99Å; N88-Y134 VanDerWaalsContact CG-CD2 3.41Å; N88-Y134 WeakPolarHBondContact OD1-CD2 3.43Å; N88-Y134 PolarHBondContact OD1-N 3.44Å; C132-Y134 PolarHBondContact O-N 2.92Å
135	D	90	Very high	89	Confident	105 Å²	105	44.8 Å²	44.8	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-17.8	-177.1	-57.4	-35.7	0	0	0	112.4	C132	C132-D135 WeakPolarHBondContact CA-OD2 3.28Å; C132-D135 VanDerWaalsContact CB-OD2 3.26Å; C132-D135 WeakPolarHBondContact CB-OD2 3.36Å; C132-D135 PolarHBondContact N-OD2 3.33Å; C132-D135 PolarHBondContact O-N 2.9Å
136	L	91.2	Very high	90.3	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.058	21%	0.207	C	C	.	.	S	Bend	trans	-91.3	155.1	-174.8	-74	83.5	0	0	0	112.1	L91 Q114 A131 C132 W138 F140 A141	L91-L136 HydrophobicContact CD1-CD1 3.76Å; L91-L136 HydrophobicContact CD2-CD1 4.07Å; L91-L136 HydrophobicContact CD2-CD2 3.77Å; Q114-L136 HydrophobicContact CB-CD2 3.85Å; Q114-L136 HydrophobicContact CB-CG 4.3Å; Q114-L136 HydrophobicContact CG-CD2 4.15Å; A131-L136 HydrophobicContact CB-CD1 3.76Å; C132-L136 WeakPolarHBondContact O-CD1 3.45Å; L136-W138 PolarHBondContact O-N 3.44Å; L136-F140 HydrophobicContact CD2-CD1 3.38Å; L136-F140 HydrophobicContact CD2-CE1 3.52Å; L136-F140 HydrophobicContact CD2-CG 4.43Å; L136-A141 HydrophobicContact CB-CB 4.2Å
137	P	92.3	Very high	91.6	Very high	29 Å²	29	33.3 Å²	33.3	19%	0.188	19%	0.193	C	C	.	.			trans	-53.3	137.5	169.5	-25.5	36.1	0	0	0	111.3	P25 L139 F140 A141	P25-P137 HydrophobicContact CB-CB 3.9Å; P25-P137 HydrophobicContact CB-CG 3.59Å; P25-P137 HydrophobicContact CG-CB 4.15Å; P25-P137 HydrophobicContact CG-CG 3.29Å; P137-L139 PolarHBondContact O-N 3.23Å; P137-F140 HydrophobicContact CB-CB 4.19Å; P137-F140 WeakPolarHBondContact O-CA 3.17Å; P137-F140 WeakPolarHBondContact O-CB 3.25Å; P137-F140 PolarHBondContact O-N 3.13Å; P137-A141 PolarHBondContact O-N 2.89Å
138	W	92.4	Very high	92.8	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.098	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-49.2	-170.1	172.6	40.4	0	0	0	113.4	F32 A33 T36 W41 L136 F140 A141 E142 R402 D466	F32-W138 AromaticContact CD1-CH2 3.57Å; F32-W138 HydrophobicContact CD1-CH2 3.57Å; F32-W138 HydrophobicContact CD1-CZ2 4.06Å; F32-W138 HydrophobicContact CD1-CZ3 4.02Å; F32-W138 AromaticContact CE1-CH2 3.39Å; F32-W138 HydrophobicContact CE1-CH2 3.39Å; F32-W138 AromaticContact CE1-CZ2 3.77Å; F32-W138 HydrophobicContact CE1-CZ2 3.77Å; F32-W138 HydrophobicContact CE1-CZ3 4.27Å; A33-W138 HydrophobicContact CB-CB 3.95Å; A33-W138 HydrophobicContact CB-CD2 3.47Å; A33-W138 VanDerWaalsContact CB-CD2 3.47Å; A33-W138 HydrophobicContact CB-CE3 3.78Å; A33-W138 HydrophobicContact CB-CG 3.52Å; T36-W138 HydrophobicContact CG2-CZ2 4.39Å; W41-W138 AromaticContact CZ2-CD1 3.92Å; W41-W138 AromaticContact CZ2-NE1 3.84Å; L136-W138 PolarHBondContact O-N 3.44Å; W138-F140 PolarHBondContact O-N 2.72Å; W138-A141 PolarHBondContact O-N 2.9Å; W138-E142 WeakPolarHBondContact O-CB 3.27Å; W138-E142 PolarHBondContact O-N 3.35Å; W138-R402 VanDerWaalsContact CD2-NH2 3.28Å; W138-R402 VanDerWaalsContact CH2-CZ 3.45Å; W138-R402 VanDerWaalsContact CZ3-CZ 3.48Å; W138-D466 WeakPolarHBondContact CZ3-OD1 3.43Å
139	L	95.3	Very high	93.9	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.052	13%	0.125	C	C	.	.	H	α-helix	trans	-54.7	-40.7	174.7	177.3	63.5	0	0	0	112.2	P137 E142 C143 L399 R402 K403 D407	P137-L139 PolarHBondContact O-N 3.23Å; L139-E142 PolarHBondContact O-N 3.4Å; L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 3.17Å; L139-C143 PolarHBondContact O-SG 3.46Å; L139-L399 HydrophobicContact CD1-CD1 3.67Å; L139-R402 VanDerWaalsContact CA-NH2 3.32Å; L139-K403 HydrophobicContact CD2-CG 4.1Å; L139-D407 HydrophobicContact CB-CB 3.95Å; L139-D407 VanDerWaalsContact CB-OD2 3.27Å; L139-D407 WeakPolarHBondContact CB-OD2 3.46Å; L139-D407 HydrophobicContact CD2-CB 3.83Å; L139-D407 HydrophobicContact CG-CB 4.49Å
140	F	96.4	Very high	94.6	Very high	16 Å²	16	17.2 Å²	17.2	7%	0.07	9%	0.087	C	C	.	.	H	α-helix	trans	-65.9	-52	-179.4	-171.4	-76.2	0	0	0	111	W107 L110 L111 Q114 L136 P137 W138 E142 C143 Y144 S369	W107-F140 HydrophobicContact CZ3-CZ 4.47Å; L110-F140 HydrophobicContact CB-CE2 3.96Å; L110-F140 HydrophobicContact CB-CZ 4.12Å; L111-F140 HydrophobicContact CD2-CE1 3.82Å; L111-F140 HydrophobicContact CD2-CZ 4.14Å; L111-F140 HydrophobicContact CG-CE1 4.5Å; L111-F140 HydrophobicContact CG-CZ 4.34Å; Q114-F140 HydrophobicContact CG-CD1 4.23Å; Q114-F140 HydrophobicContact CG-CD2 4.15Å; Q114-F140 HydrophobicContact CG-CE1 3.9Å; Q114-F140 HydrophobicContact CG-CE2 3.79Å; Q114-F140 HydrophobicContact CG-CG 4.36Å; Q114-F140 HydrophobicContact CG-CZ 3.66Å; L136-F140 HydrophobicContact CD2-CD1 3.38Å; L136-F140 HydrophobicContact CD2-CE1 3.52Å; L136-F140 HydrophobicContact CD2-CG 4.43Å; P137-F140 HydrophobicContact CB-CB 4.19Å; P137-F140 WeakPolarHBondContact O-CA 3.17Å; P137-F140 WeakPolarHBondContact O-CB 3.25Å; P137-F140 PolarHBondContact O-N 3.13Å; W138-F140 PolarHBondContact O-N 2.72Å; F140-E142 PolarHBondContact O-N 3.36Å; F140-C143 PolarHBondContact O-N 3.43Å; F140-Y144 WeakPolarHBondContact O-CB 3.44Å; F140-Y144 PolarHBondContact O-N 2.85Å; F140-S369 VanDerWaalsContact CD2-OG 3.23Å; F140-S369 WeakPolarHBondContact CD2-OG 3.49Å; F140-S369 VanDerWaalsContact CE2-OG 3.25Å; F140-S369 WeakPolarHBondContact CE2-OG 3.4Å
141	A	95.9	Very high	95.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.1	-38.5	178.7	0	0	0	0	0	111.5	W41 L136 P137 W138 Y144 L145	W41-A141 HydrophobicContact CH2-CB 3.85Å; W41-A141 HydrophobicContact CZ3-CB 4.43Å; L136-A141 HydrophobicContact CB-CB 4.2Å; P137-A141 PolarHBondContact O-N 2.89Å; W138-A141 PolarHBondContact O-N 2.9Å; A141-Y144 PolarHBondContact O-N 3.04Å; A141-L145 PolarHBondContact O-N 3.04Å
142	E	96.3	Very high	95.5	Very high	13 Å²	13	15.4 Å²	15.4	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-66.4	-48	176.8	-165.5	169	-134	0	0	112.6	W41 W138 L139 F140 Y144 L145 Y146 F310 R402	W41-E142 HydrophobicContact CH2-CB 4.28Å; W41-E142 HydrophobicContact CZ2-CB 3.59Å; W41-E142 HydrophobicContact CZ2-CG 3.8Å; W138-E142 WeakPolarHBondContact O-CB 3.27Å; W138-E142 PolarHBondContact O-N 3.35Å; L139-E142 PolarHBondContact O-N 3.4Å; F140-E142 PolarHBondContact O-N 3.36Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.03Å; E142-L145 WeakPolarHBondContact O-CB 3.37Å; E142-L145 PolarHBondContact O-N 3.04Å; E142-Y146 HydrophobicContact CG-CD2 4.47Å; E142-Y146 HydrophobicContact CG-CE2 4.14Å; E142-Y146 VanDerWaalsContact O-CD2 3.31Å; E142-Y146 WeakPolarHBondContact O-CD2 3.48Å; E142-Y146 PolarHBondContact O-N 3.37Å; E142-F310 HydrophobicContact CB-CZ 4.45Å; E142-F310 HydrophobicContact CG-CE1 3.7Å; E142-F310 HydrophobicContact CG-CZ 3.68Å; E142-R402 IonicContact OE2-CZ 3.36Å; E142-R402 IonicContact OE2-NH1 2.85Å; E142-R402 PolarHBondContact OE2-NH1 3.43Å; E142-R402 IonicContact OE2-NH2 2.79Å
143	C	98.1	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.8	-41.7	176.7	-65.6	0	0	0	0	110.8	W107 L139 F140 L145 Y146 R147 W309	W107-C143 HydrophobicContact CH2-CB 3.81Å; L139-C143 WeakPolarHBondContact O-CB 3.27Å; L139-C143 PolarHBondContact O-N 3.17Å; L139-C143 PolarHBondContact O-SG 3.46Å; F140-C143 PolarHBondContact O-N 3.43Å; C143-L145 PolarHBondContact O-N 3.18Å; C143-Y146 PolarHBondContact O-N 3.01Å; C143-R147 PolarHBondContact O-N 3.15Å; C143-W309 HydrophobicContact CB-CH2 3.94Å; C143-W309 HydrophobicContact CB-CZ2 3.74Å; C143-W309 WeakPolarHBondContact O-CH2 3.32Å
144	Y	98	Very high	96	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.5	-40.8	176.5	171.2	-98.3	0	0	0	112.2	L91 T92 L94 L111 W133 F140 A141 E142 Y146 R147 R148	L91-Y144 HydrophobicContact CB-CE1 4.16Å; L91-Y144 HydrophobicContact CD2-CD1 3.45Å; L91-Y144 VanDerWaalsContact CD2-CD1 3.45Å; L91-Y144 HydrophobicContact CD2-CE1 3.4Å; L91-Y144 VanDerWaalsContact CD2-CE1 3.4Å; L91-Y144 HydrophobicContact CD2-CE2 4.46Å; L91-Y144 HydrophobicContact CD2-CG 4.01Å; L91-Y144 HydrophobicContact CG-CD1 4.14Å; L91-Y144 HydrophobicContact CG-CE1 3.62Å; T92-Y144 PolarHBondContact N-OH 3.48Å; T92-Y144 VanDerWaalsContact N-OH 3.16Å; T92-Y144 PolarHBondContact O-OH 3.44Å; L94-Y144 HydrophobicContact CD2-CE2 4.02Å; L94-Y144 HydrophobicContact CG-CE2 4.33Å; L111-Y144 HydrophobicContact CD1-CD2 3.98Å; L111-Y144 HydrophobicContact CD1-CE2 3.74Å; L111-Y144 HydrophobicContact CD2-CD2 3.55Å; L111-Y144 HydrophobicContact CD2-CE2 3.62Å; L111-Y144 HydrophobicContact CD2-CG 4.28Å; L111-Y144 HydrophobicContact CG-CD2 4.27Å; L111-Y144 HydrophobicContact CG-CE2 4.32Å; W133-Y144 HydrophobicContact CE3-CD1 4.48Å; W133-Y144 AromaticContact CH2-CD1 3.48Å; W133-Y144 HydrophobicContact CH2-CD1 3.48Å; W133-Y144 VanDerWaalsContact CH2-CD1 3.48Å; W133-Y144 AromaticContact CH2-CE1 3.36Å; W133-Y144 HydrophobicContact CH2-CE1 3.36Å; W133-Y144 HydrophobicContact CZ2-CD1 4.25Å; W133-Y144 AromaticContact CZ2-CE1 3.69Å; W133-Y144 HydrophobicContact CZ2-CE1 3.69Å; W133-Y144 AromaticContact CZ3-CD1 3.61Å; W133-Y144 HydrophobicContact CZ3-CD1 3.61Å; W133-Y144 AromaticContact CZ3-CE1 3.93Å; W133-Y144 HydrophobicContact CZ3-CE1 3.93Å; F140-Y144 WeakPolarHBondContact O-CB 3.44Å; F140-Y144 PolarHBondContact O-N 2.85Å; A141-Y144 PolarHBondContact O-N 3.04Å; E142-Y144 VanDerWaalsContact C-N 3.29Å; E142-Y144 PolarHBondContact O-N 3.03Å; Y144-Y146 VanDerWaalsContact C-N 3.35Å; Y144-Y146 PolarHBondContact O-N 3.23Å; Y144-R147 PolarHBondContact O-N 2.72Å; Y144-R148 HydrophobicContact CE1-CB 4.36Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.27Å; Y144-R148 PolarHBondContact O-N 2.95Å; Y144-R148 PolarHBondContact OH-NE 3.28Å; Y144-R148 PolarHBondContact OH-NH1 3.26Å; Y144-R148 PolarHBondContact OH-NH2 3.39Å
145	L	98	Very high	96.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-51.6	-53.6	175.5	171.1	59.9	0	0	0	111.3	W41 L45 L81 I85 W133 A141 E142 C143 R148 I149	W41-L145 HydrophobicContact CB-CD2 3.84Å; W41-L145 HydrophobicContact CD2-CD2 3.52Å; W41-L145 HydrophobicContact CE3-CD2 3.92Å; W41-L145 HydrophobicContact CG-CD2 3.48Å; W41-L145 VanDerWaalsContact CG-CD2 3.48Å; L45-L145 HydrophobicContact CD1-CD1 4.37Å; L45-L145 HydrophobicContact CD2-CD1 4.35Å; L81-L145 HydrophobicContact CD2-CD1 3.95Å; L81-L145 HydrophobicContact CG-CD1 4.34Å; I85-L145 HydrophobicContact CD1-CD1 3.51Å; W133-L145 HydrophobicContact CH2-CB 4.35Å; W133-L145 HydrophobicContact CH2-CD1 4.15Å; W133-L145 HydrophobicContact CZ3-CB 3.99Å; W133-L145 HydrophobicContact CZ3-CD1 4.34Å; A141-L145 PolarHBondContact O-N 3.04Å; E142-L145 WeakPolarHBondContact O-CB 3.37Å; E142-L145 PolarHBondContact O-N 3.04Å; C143-L145 PolarHBondContact O-N 3.18Å; L145-R148 PolarHBondContact O-N 3.23Å; L145-I149 HydrophobicContact CD1-CD1 4.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.17Å; L145-I149 PolarHBondContact O-N 3.43Å
146	Y	98.1	Very high	96.5	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.02	6%	0.056	C	C	.	.	H	α-helix	trans	-69.5	-36.5	-178.6	-69.4	-74.2	0	0	0	112.1	E142 C143 Y144 R148 I149 I150 F164 F310 V311	E142-Y146 HydrophobicContact CG-CD2 4.47Å; E142-Y146 HydrophobicContact CG-CE2 4.14Å; E142-Y146 VanDerWaalsContact O-CD2 3.31Å; E142-Y146 WeakPolarHBondContact O-CD2 3.48Å; E142-Y146 PolarHBondContact O-N 3.37Å; C143-Y146 PolarHBondContact O-N 3.01Å; Y144-Y146 VanDerWaalsContact C-N 3.35Å; Y144-Y146 PolarHBondContact O-N 3.23Å; Y146-R148 VanDerWaalsContact C-N 3.31Å; Y146-R148 PolarHBondContact O-N 3.26Å; Y146-I149 HydrophobicContact CD1-CD1 4.03Å; Y146-I149 HydrophobicContact CE1-CD1 4.48Å; Y146-I149 PolarHBondContact O-N 3.07Å; Y146-I150 PolarHBondContact O-N 3.06Å; Y146-F164 HydrophobicContact CD1-CE2 4.49Å; Y146-F164 HydrophobicContact CD1-CZ 4.34Å; Y146-F164 HydrophobicContact CE1-CZ 4.2Å; Y146-F310 HydrophobicContact CD2-CB 4.34Å; Y146-F310 AromaticContact CD2-CD1 3.95Å; Y146-F310 HydrophobicContact CD2-CD1 3.95Å; Y146-F310 AromaticContact CD2-CD2 3.62Å; Y146-F310 HydrophobicContact CD2-CD2 3.62Å; Y146-F310 HydrophobicContact CD2-CE1 4.11Å; Y146-F310 AromaticContact CD2-CE2 3.78Å; Y146-F310 HydrophobicContact CD2-CE2 3.78Å; Y146-F310 AromaticContact CD2-CG 3.7Å; Y146-F310 HydrophobicContact CD2-CG 3.7Å; Y146-F310 HydrophobicContact CD2-CZ 4.03Å; Y146-F310 VanDerWaalsContact CE1-C 3.44Å; Y146-F310 HydrophobicContact CE1-CB 4.44Å; Y146-F310 HydrophobicContact CE2-CB 4.19Å; Y146-F310 AromaticContact CE2-CD1 3.48Å; Y146-F310 HydrophobicContact CE2-CD1 3.48Å; Y146-F310 VanDerWaalsContact CE2-CD1 3.48Å; Y146-F310 HydrophobicContact CE2-CD2 4.04Å; Y146-F310 AromaticContact CE2-CE1 3.75Å; Y146-F310 HydrophobicContact CE2-CE1 3.75Å; Y146-F310 HydrophobicContact CE2-CE2 4.27Å; Y146-F310 AromaticContact CE2-CG 3.63Å; Y146-F310 HydrophobicContact CE2-CG 3.63Å; Y146-F310 HydrophobicContact CE2-CZ 4.14Å; Y146-F310 HydrophobicContact CG-CD2 4.13Å; Y146-F310 HydrophobicContact CG-CG 4.28Å; Y146-V311 HydrophobicContact CE1-CG2 4.25Å
147	R	98.2	Very high	96.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.3	-37.7	173.8	-174.2	57.5	-174.8	75.6	4.1	112.6	L94 F96 S97 E103 W107 C143 Y144 I150 D151 W309	L94-R147 HydrophobicContact CD1-CB 4.48Å; L94-R147 HydrophobicContact CD1-CG 3.44Å; L94-R147 VanDerWaalsContact CD1-CG 3.44Å; L94-R147 HydrophobicContact CD2-CG 4.39Å; F96-R147 PolarHBondContact O-NH1 2.78Å; F96-R147 PolarHBondContact O-NH2 3.17Å; S97-R147 VanDerWaalsContact CA-NH2 3.34Å; S97-R147 VanDerWaalsContact CB-NH2 3.28Å; S97-R147 PolarHBondContact OG-NH2 3.45Å; E103-R147 IonicContact OE1-CZ 3.05Å; E103-R147 IonicContact OE1-NE 2.74Å; E103-R147 PolarHBondContact OE1-NE 3.29Å; E103-R147 IonicContact OE1-NH2 2.77Å; E103-R147 IonicContact OE2-CZ 2.98Å; E103-R147 IonicContact OE2-NE 3.75Å; E103-R147 IonicContact OE2-NH2 3.56Å; E103-R147 PolarHBondContact OE2-NH2 2.83Å; W107-R147 HydrophobicContact CD2-CG 4.18Å; W107-R147 HydrophobicContact CG-CG 4.42Å; W107-R147 HydrophobicContact CH2-CB 4.37Å; W107-R147 HydrophobicContact CZ2-CB 3.98Å; W107-R147 HydrophobicContact CZ2-CG 4.12Å; C143-R147 PolarHBondContact O-N 3.15Å; Y144-R147 PolarHBondContact O-N 2.72Å; R147-I150 PolarHBondContact O-N 3.43Å; R147-D151 PolarHBondContact O-N 2.71Å; R147-W309 HydrophobicContact CB-CH2 4.19Å; R147-W309 HydrophobicContact CB-CZ3 3.83Å
148	R	98	Very high	96.9	Very high	22 Å²	22	11.5 Å²	11.5	8%	0.083	6%	0.063	C	C	.	.	H	α-helix	trans	-66.5	-37.3	175.9	174.7	54.4	62.2	110.6	-15.4	111.8	L81 T92 L93 L94 Y144 L145 Y146 I150 D151 M152	L81-R148 HydrophobicContact CD1-CG 3.89Å; L81-R148 HydrophobicContact CD2-CG 4.1Å; T92-R148 VanDerWaalsContact C-NH2 3.25Å; T92-R148 PolarHBondContact O-NH2 2.88Å; T92-R148 VanDerWaalsContact OG1-CZ 3.27Å; T92-R148 PolarHBondContact OG1-NH1 3.29Å; T92-R148 PolarHBondContact OG1-NH2 3.42Å; L93-R148 PolarHBondContact O-NH2 3.15Å; L94-R148 HydrophobicContact CD2-CB 4.38Å; Y144-R148 HydrophobicContact CE1-CB 4.36Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.27Å; Y144-R148 PolarHBondContact O-N 2.95Å; Y144-R148 PolarHBondContact OH-NE 3.28Å; Y144-R148 PolarHBondContact OH-NH1 3.26Å; Y144-R148 PolarHBondContact OH-NH2 3.39Å; L145-R148 PolarHBondContact O-N 3.23Å; Y146-R148 VanDerWaalsContact C-N 3.31Å; Y146-R148 PolarHBondContact O-N 3.26Å; R148-I150 VanDerWaalsContact C-N 3.28Å; R148-I150 PolarHBondContact O-N 2.81Å; R148-D151 IonicContact NE-OD2 3.76Å; R148-D151 WeakPolarHBondContact O-CB 3.49Å; R148-D151 PolarHBondContact O-N 2.89Å; R148-M152 HydrophobicContact CG-CE 4.12Å; R148-M152 WeakPolarHBondContact O-CG 3.47Å; R148-M152 PolarHBondContact O-N 3.22Å
149	I	98	Very high	96.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-44.2	172.2	-67.1	167.6	0	0	0	110.1	L45 L48 L81 L145 Y146 M152 V153 P163 F164	L45-I149 HydrophobicContact CD2-CD1 3.71Å; L45-I149 HydrophobicContact CD2-CG1 4.19Å; L48-I149 HydrophobicContact CD2-CD1 4.37Å; L48-I149 HydrophobicContact CD2-CG2 4.11Å; L81-I149 HydrophobicContact CD2-CG1 3.95Å; L145-I149 HydrophobicContact CD1-CD1 4.49Å; L145-I149 WeakPolarHBondContact O-CG1 3.17Å; L145-I149 PolarHBondContact O-N 3.43Å; Y146-I149 HydrophobicContact CD1-CD1 4.03Å; Y146-I149 HydrophobicContact CE1-CD1 4.48Å; Y146-I149 PolarHBondContact O-N 3.07Å; I149-M152 WeakPolarHBondContact O-CB 3.42Å; I149-M152 PolarHBondContact O-N 2.82Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 3.01Å; I149-P163 HydrophobicContact CG2-CG 4.29Å; I149-F164 HydrophobicContact CD1-CZ 4.21Å
150	I	97.9	Very high	96.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-39	178.5	-58.1	-49.6	0	0	0	112.5	P98 Y146 R147 R148 M152 V153 V154 I307 P308	P98-I150 HydrophobicContact CG-CG2 3.99Å; Y146-I150 PolarHBondContact O-N 3.06Å; R147-I150 PolarHBondContact O-N 3.43Å; R148-I150 VanDerWaalsContact C-N 3.28Å; R148-I150 PolarHBondContact O-N 2.81Å; I150-M152 VanDerWaalsContact C-N 3.29Å; I150-M152 PolarHBondContact O-N 3.12Å; I150-V153 WeakPolarHBondContact O-CB 3.2Å; I150-V153 PolarHBondContact O-N 3.02Å; I150-V154 WeakPolarHBondContact O-CG2 3.43Å; I150-V154 PolarHBondContact O-N 3.46Å; I150-I307 HydrophobicContact CB-CD1 4.26Å; I150-I307 HydrophobicContact CG1-CB 4.45Å; I150-I307 HydrophobicContact CG1-CD1 4.06Å; I150-I307 HydrophobicContact CG2-CB 4.33Å; I150-I307 HydrophobicContact CG2-CD1 4.15Å; I150-I307 HydrophobicContact CG2-CG2 4.28Å; I150-P308 HydrophobicContact CD1-CB 3.89Å; I150-P308 HydrophobicContact CD1-CG 4.02Å; I150-P308 WeakPolarHBondContact CD1-O 3.38Å; I150-P308 WeakPolarHBondContact CG1-O 3.31Å
151	D	97.5	Very high	96.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-56.4	-44.2	170.8	175.1	62.4	0	0	0	111.2	L94 S95 F96 R147 R148 V153 V154 Q155	L94-D151 HydrophobicContact CD2-CB 3.85Å; S95-D151 PolarHBondContact N-OD1 2.74Å; S95-D151 VanDerWaalsContact N-OD1 3.1Å; F96-D151 PolarHBondContact N-OD1 3.44Å; R147-D151 PolarHBondContact O-N 2.71Å; R148-D151 IonicContact NE-OD2 3.76Å; R148-D151 WeakPolarHBondContact O-CB 3.49Å; R148-D151 PolarHBondContact O-N 2.89Å; D151-V153 PolarHBondContact O-N 2.89Å; D151-V154 PolarHBondContact O-N 3.09Å; D151-Q155 WeakPolarHBondContact O-CB 3.37Å; D151-Q155 WeakPolarHBondContact O-CG 3.47Å; D151-Q155 PolarHBondContact O-N 3.24Å; D151-Q155 PolarHBondContact OD1-NE2 3.02Å; D151-Q155 PolarHBondContact OD2-NE2 3.14Å
152	M	97.5	Very high	96.4	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.064	12%	0.123	C	C	.	.	H	α-helix	trans	-66.7	-34.5	175.1	-68.9	-179.4	170.8	0	0	113.8	L74 R77 L81 R148 I149 I150 S156	L74-M152 HydrophobicContact CD1-CB 4.21Å; R77-M152 HydrophobicContact CB-CB 4.21Å; R77-M152 HydrophobicContact CB-CE 4.44Å; R77-M152 HydrophobicContact CB-CG 4.1Å; R77-M152 HydrophobicContact CB-SD 3.75Å; L81-M152 HydrophobicContact CB-CE 3.74Å; L81-M152 HydrophobicContact CB-SD 4.03Å; L81-M152 HydrophobicContact CD1-CE 4.28Å; L81-M152 HydrophobicContact CD2-CE 4.26Å; L81-M152 HydrophobicContact CD2-SD 3.97Å; L81-M152 HydrophobicContact CG-CE 4.32Å; R148-M152 HydrophobicContact CG-CE 4.12Å; R148-M152 WeakPolarHBondContact O-CG 3.47Å; R148-M152 PolarHBondContact O-N 3.22Å; I149-M152 WeakPolarHBondContact O-CB 3.42Å; I149-M152 PolarHBondContact O-N 2.82Å; I150-M152 VanDerWaalsContact C-N 3.29Å; I150-M152 PolarHBondContact O-N 3.12Å; M152-S156 WeakPolarHBondContact O-CB 3.45Å; M152-S156 PolarHBondContact O-N 2.75Å; M152-S156 PolarHBondContact O-OG 3.13Å
153	V	97.6	Very high	96.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-49.5	173.3	165.3	0	0	0	0	110.2	L74 I149 I150 D151 S156 L158 F161 P163	L74-V153 HydrophobicContact CD1-CB 4.5Å; L74-V153 HydrophobicContact CD1-CG2 3.82Å; L74-V153 HydrophobicContact CD2-CG2 3.92Å; I149-V153 WeakPolarHBondContact O-CG2 3.43Å; I149-V153 PolarHBondContact O-N 3.01Å; I150-V153 WeakPolarHBondContact O-CB 3.2Å; I150-V153 PolarHBondContact O-N 3.02Å; D151-V153 PolarHBondContact O-N 2.89Å; V153-S156 PolarHBondContact O-N 2.93Å; V153-L158 HydrophobicContact CG1-CB 3.88Å; V153-L158 WeakPolarHBondContact CG1-O 3.27Å; V153-L158 WeakPolarHBondContact O-CB 3.46Å; V153-L158 PolarHBondContact O-N 3.38Å; V153-L158 VanDerWaalsContact O-N 3.11Å; V153-F161 HydrophobicContact CG1-CB 4.02Å; V153-F161 HydrophobicContact CG1-CD1 4.4Å; V153-F161 HydrophobicContact CG2-CD1 4.46Å; V153-P163 HydrophobicContact CG2-CG 4.4Å
154	V	96.7	Very high	96.2	Very high	19 Å²	19	23.1 Å²	23.1	12%	0.115	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-43.5	178.2	178.9	0	0	0	0	111.1	F96 P98 I150 D151 S156 G157	F96-V154 HydrophobicContact CB-CB 4.01Å; F96-V154 HydrophobicContact CB-CG1 3.64Å; F96-V154 HydrophobicContact CD1-CG1 4.26Å; F96-V154 HydrophobicContact CG-CG1 4.1Å; P98-V154 HydrophobicContact CB-CG2 4.35Å; P98-V154 HydrophobicContact CG-CG2 4.42Å; I150-V154 WeakPolarHBondContact O-CG2 3.43Å; I150-V154 PolarHBondContact O-N 3.46Å; D151-V154 PolarHBondContact O-N 3.09Å; V154-S156 PolarHBondContact O-N 3.01Å; V154-G157 WeakPolarHBondContact O-CA 3.37Å; V154-G157 PolarHBondContact O-N 2.88Å
155	Q	95.4	Very high	96.1	Very high	52 Å²	52	25 Å²	25	24%	0.243	13%	0.13	C	C	.	.	H	α-helix	trans	-56.9	-31.7	174.4	-76.6	174.9	28.7	0	0	113.6	F96 D151 G157	F96-Q155 HydrophobicContact CD2-CB 4.45Å; F96-Q155 HydrophobicContact CD2-CG 3.19Å; F96-Q155 HydrophobicContact CE2-CG 3.32Å; F96-Q155 HydrophobicContact CG-CG 4.23Å; F96-Q155 HydrophobicContact CZ-CG 4.39Å; D151-Q155 WeakPolarHBondContact O-CB 3.37Å; D151-Q155 WeakPolarHBondContact O-CG 3.47Å; D151-Q155 PolarHBondContact O-N 3.24Å; D151-Q155 PolarHBondContact OD1-NE2 3.02Å; D151-Q155 PolarHBondContact OD2-NE2 3.14Å; Q155-G157 PolarHBondContact O-N 2.79Å
156	S	97	Very high	95.8	Very high	9 Å²	9	26.2 Å²	26.2	6%	0.063	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4	177.5	-52.7	0	0	0	0	112.7	K70 L74 M152 V153 V154	K70-S156 WeakPolarHBondContact CB-O 3.3Å; K70-S156 WeakPolarHBondContact CG-O 3.34Å; L74-S156 WeakPolarHBondContact CA-OG 3.34Å; L74-S156 PolarHBondContact N-OG 3.48Å; M152-S156 WeakPolarHBondContact O-CB 3.45Å; M152-S156 PolarHBondContact O-N 2.75Å; M152-S156 PolarHBondContact O-OG 3.13Å; V153-S156 PolarHBondContact O-N 2.93Å; V154-S156 PolarHBondContact O-N 3.01Å
157	G	95.6	Very high	95.5	Very high	32 Å²	32	27.9 Å²	27.9	33%	0.33	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	29.7	179.7	0	0	0	0	0	113.9	K70 V154 Q155	K70-G157 WeakPolarHBondContact CD-O 3.43Å; K70-G157 PolarHBondContact NZ-O 2.97Å; V154-G157 WeakPolarHBondContact O-CA 3.37Å; V154-G157 PolarHBondContact O-N 2.88Å; Q155-G157 PolarHBondContact O-N 2.79Å
158	L	95.8	Very high	95.3	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.073	15%	0.145	C	C	.	.			trans	-118.1	46.2	-174.9	-67.2	168.9	0	0	0	112.2	I67 K70 L71 L74 V153 E160 F161	I67-L158 HydrophobicContact CB-CD2 4.39Å; I67-L158 HydrophobicContact CD1-CD2 4Å; K70-L158 HydrophobicContact CB-CD1 4.15Å; K70-L158 HydrophobicContact CB-CD2 3.91Å; K70-L158 HydrophobicContact CB-CG 3.93Å; K70-L158 HydrophobicContact CD-CD2 3.99Å; K70-L158 HydrophobicContact CD-CG 4.35Å; L71-L158 HydrophobicContact CD2-CD1 3.97Å; L74-L158 HydrophobicContact CB-CD1 4.16Å; L74-L158 HydrophobicContact CD2-CD1 3.8Å; V153-L158 HydrophobicContact CG1-CB 3.88Å; V153-L158 WeakPolarHBondContact CG1-O 3.27Å; V153-L158 WeakPolarHBondContact O-CB 3.46Å; V153-L158 PolarHBondContact O-N 3.38Å; V153-L158 VanDerWaalsContact O-N 3.11Å; L158-E160 PolarHBondContact O-N 3.31Å; L158-F161 HydrophobicContact CB-CB 3.71Å; L158-F161 HydrophobicContact CB-CG 4.36Å; L158-F161 HydrophobicContact CD1-CD1 4.19Å; L158-F161 HydrophobicContact CD1-CG 4.48Å; L158-F161 VanDerWaalsContact O-CB 3.27Å; L158-F161 WeakPolarHBondContact O-CB 3.32Å; L158-F161 PolarHBondContact O-N 3.31Å
159	N	90.5	Very high	95	Very high	110 Å²	110	28.7 Å²	28.7	59%	0.588	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46	-29.3	-168.8	-59.8	-8.8	0	0	0	117
160	E	88.8	Confident	94.5	Very high	153 Å²	153	32.9 Å²	32.9	72%	0.715	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	3.4	-174.6	-86.9	-158.2	-143.9	0	0	114.4	L158 K317	L158-E160 PolarHBondContact O-N 3.31Å; E160-K317 PolarHBondContact O-NZ 3.05Å; E160-K317 IonicContact OE2-NZ 3.57Å; E160-K317 PolarHBondContact OE2-NZ 3.46Å
161	F	95.2	Very high	94	Very high	26 Å²	26	32.7 Å²	32.7	11%	0.114	17%	0.167	C	C	.	.			trans	-78.9	125.6	-173.5	-178.3	-111.8	0	0	0	111.4	I52 Y59 L71 L74 V153 L158 P163	I52-F161 HydrophobicContact CG1-CE1 4.48Å; Y59-F161 AromaticContact CD1-CE2 3.5Å; Y59-F161 HydrophobicContact CD1-CE2 3.5Å; Y59-F161 VanDerWaalsContact CD1-CE2 3.5Å; Y59-F161 HydrophobicContact CD1-CZ 4.14Å; Y59-F161 HydrophobicContact CD2-CE2 4.23Å; Y59-F161 HydrophobicContact CD2-CZ 4.19Å; Y59-F161 AromaticContact CE1-CE2 3.61Å; Y59-F161 HydrophobicContact CE1-CE2 3.61Å; Y59-F161 AromaticContact CE1-CZ 3.95Å; Y59-F161 HydrophobicContact CE1-CZ 3.95Å; Y59-F161 HydrophobicContact CE2-CE2 4.37Å; Y59-F161 HydrophobicContact CE2-CZ 4.06Å; Y59-F161 AromaticContact CG-CE2 3.8Å; Y59-F161 HydrophobicContact CG-CE2 3.8Å; Y59-F161 HydrophobicContact CG-CZ 4.23Å; Y59-F161 AromaticContact CZ-CZ 3.9Å; L71-F161 HydrophobicContact CD2-CE1 4.05Å; L71-F161 HydrophobicContact CD2-CE2 4.03Å; L71-F161 HydrophobicContact CD2-CZ 3.68Å; L74-F161 HydrophobicContact CD2-CD1 3.82Å; L74-F161 HydrophobicContact CD2-CE1 3.63Å; V153-F161 HydrophobicContact CG1-CB 4.02Å; V153-F161 HydrophobicContact CG1-CD1 4.4Å; V153-F161 HydrophobicContact CG2-CD1 4.46Å; L158-F161 HydrophobicContact CB-CB 3.71Å; L158-F161 HydrophobicContact CB-CG 4.36Å; L158-F161 HydrophobicContact CD1-CD1 4.19Å; L158-F161 HydrophobicContact CD1-CG 4.48Å; L158-F161 VanDerWaalsContact O-CB 3.27Å; L158-F161 WeakPolarHBondContact O-CB 3.32Å; L158-F161 PolarHBondContact O-N 3.31Å; F161-P163 HydrophobicContact CD1-CB 4.14Å; F161-P163 HydrophobicContact CE1-CB 3.63Å; F161-P163 HydrophobicContact CZ-CB 4.41Å; F161-P163 WeakPolarHBondContact O-CD 3.16Å
162	D	96.3	Very high	93.7	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	17%	0.167	C	C	.	.			trans	-99.6	107.2	167.5	179.5	-7.7	0	0	0	108.9	F164 F165 K168 P308	D162-F164 PolarHBondContact O-N 3.47Å; D162-F164 WeakPolarHBondContact OD1-CA 3.29Å; D162-F164 WeakPolarHBondContact OD1-CB 3.46Å; D162-F164 PolarHBondContact OD1-N 2.69Å; D162-F165 HydrophobicContact CB-CB 3.93Å; D162-F165 WeakPolarHBondContact O-CB 3.28Å; D162-F165 PolarHBondContact O-N 3Å; D162-F165 PolarHBondContact OD1-N 3.47Å; D162-K168 IonicContact OD2-NZ 3.87Å; D162-K168 PolarHBondContact OD2-NZ 3.24Å; D162-P308 HydrophobicContact CB-CB 4.17Å; D162-P308 HydrophobicContact CB-CG 3.61Å
163	P	95.5	Very high	93.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.1	-178	33.9	-38.4	0	0	0	112.6	L48 I52 I149 V153 F161	L48-P163 HydrophobicContact CD1-CB 3.65Å; L48-P163 HydrophobicContact CD1-CG 4.18Å; L48-P163 WeakPolarHBondContact CD1-O 3.29Å; L48-P163 HydrophobicContact CD2-CB 4.39Å; L48-P163 HydrophobicContact CD2-CG 4.39Å; L48-P163 HydrophobicContact CG-CB 4.27Å; I52-P163 HydrophobicContact CD1-CB 4.21Å; I149-P163 HydrophobicContact CG2-CG 4.29Å; V153-P163 HydrophobicContact CG2-CG 4.4Å; F161-P163 HydrophobicContact CD1-CB 4.14Å; F161-P163 HydrophobicContact CE1-CB 3.63Å; F161-P163 HydrophobicContact CZ-CB 4.41Å; F161-P163 WeakPolarHBondContact O-CD 3.16Å
164	F	95.4	Very high	92.6	Very high	9 Å²	9	37.4 Å²	37.4	4%	0.039	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-8.3	179.1	-54.3	-75.3	0	0	0	113.8	I44 L48 Y146 I149 D162 L166 K167 K168 F310 V311	I44-F164 HydrophobicContact CG2-CE1 4.47Å; L48-F164 HydrophobicContact CD1-CD1 3.63Å; L48-F164 HydrophobicContact CD1-CE1 3.45Å; L48-F164 VanDerWaalsContact CD1-CE1 3.45Å; L48-F164 HydrophobicContact CD1-CG 4.32Å; L48-F164 HydrophobicContact CD1-CZ 4.02Å; L48-F164 HydrophobicContact CD2-CE1 3.92Å; L48-F164 HydrophobicContact CD2-CZ 3.76Å; L48-F164 HydrophobicContact CG-CE1 4.2Å; Y146-F164 HydrophobicContact CD1-CE2 4.49Å; Y146-F164 HydrophobicContact CD1-CZ 4.34Å; Y146-F164 HydrophobicContact CE1-CZ 4.2Å; I149-F164 HydrophobicContact CD1-CZ 4.21Å; D162-F164 PolarHBondContact O-N 3.47Å; D162-F164 WeakPolarHBondContact OD1-CA 3.29Å; D162-F164 WeakPolarHBondContact OD1-CB 3.46Å; D162-F164 PolarHBondContact OD1-N 2.69Å; F164-L166 PolarHBondContact O-N 2.84Å; F164-K167 WeakPolarHBondContact O-CA 3.48Å; F164-K167 WeakPolarHBondContact O-CB 3.45Å; F164-K167 PolarHBondContact O-N 3.41Å; F164-K168 PolarHBondContact O-N 3.36Å; F164-F310 WeakPolarHBondContact CD2-O 3.15Å; F164-F310 WeakPolarHBondContact CE2-O 3.43Å; F164-V311 WeakPolarHBondContact CB-O 3.36Å; F164-V311 HydrophobicContact CD1-CG1 4.17Å; F164-V311 HydrophobicContact CE1-CG2 4.41Å; F164-V311 WeakPolarHBondContact CG-O 3.03Å
165	F	94.6	Very high	92.1	Very high	40 Å²	40	36.6 Å²	36.6	18%	0.175	18%	0.184	C	C	.	.	H	α-helix	trans	-54.1	-44.7	-172.8	-176.6	-120.9	0	0	0	114.4	D162 K167 K168 K169 W321	D162-F165 HydrophobicContact CB-CB 3.93Å; D162-F165 WeakPolarHBondContact O-CB 3.28Å; D162-F165 PolarHBondContact O-N 3Å; D162-F165 PolarHBondContact OD1-N 3.47Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.44Å; F165-K168 WeakPolarHBondContact O-CB 3.42Å; F165-K168 PolarHBondContact O-N 3.05Å; F165-K169 HydrophobicContact CE1-CD 4.2Å; F165-K169 HydrophobicContact CZ-CD 4.4Å; F165-K169 PolarHBondContact O-N 2.69Å; F165-W321 HydrophobicContact CE2-CB 4.17Å; F165-W321 HydrophobicContact CE2-CG 4.22Å; F165-W321 HydrophobicContact CZ-CB 4.22Å; F165-W321 HydrophobicContact CZ-CG 4.03Å
166	L	92.6	Very high	91.7	Very high	26 Å²	26	34.1 Å²	34.1	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-33.8	178.5	-65.6	-176.4	0	0	0	112.4	N55 T58 Y59 F164 K169 H170	N55-L166 HydrophobicContact CB-CD1 3.4Å; N55-L166 VanDerWaalsContact CG-CD1 3.48Å; T58-L166 HydrophobicContact CG2-CD1 4.17Å; T58-L166 HydrophobicContact CG2-CD2 4.36Å; Y59-L166 HydrophobicContact CD1-CD1 4.25Å; Y59-L166 HydrophobicContact CE1-CD1 3.58Å; Y59-L166 HydrophobicContact CE1-CG 3.73Å; Y59-L166 HydrophobicContact CE2-CD1 4.01Å; Y59-L166 VanDerWaalsContact CZ-CD1 3.44Å; F164-L166 PolarHBondContact O-N 2.84Å; L166-K169 HydrophobicContact CD2-CD 4.39Å; L166-K169 PolarHBondContact O-N 3.34Å; L166-H170 WeakPolarHBondContact O-CB 3.32Å; L166-H170 PolarHBondContact O-N 2.55Å
167	K	91.5	Very high	91.1	Very high	40 Å²	40	34.5 Å²	34.5	17%	0.174	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.5	-178.4	165	170.7	159.7	0	110.8	F164 F165 H170 G171 L213 P217 V311	F164-K167 WeakPolarHBondContact O-CA 3.48Å; F164-K167 WeakPolarHBondContact O-CB 3.45Å; F164-K167 PolarHBondContact O-N 3.41Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.44Å; K167-H170 PolarHBondContact O-N 3.19Å; K167-G171 PolarHBondContact O-N 2.93Å; K167-L213 WeakPolarHBondContact CE-O 3.43Å; K167-L213 HydrophobicContact CG-CD1 4.29Å; K167-L213 PolarHBondContact NZ-O 3.05Å; K167-L213 VanDerWaalsContact NZ-O 3.16Å; K167-P217 PolarHBondContact NZ-O 2.79Å; K167-V311 HydrophobicContact CD-CG1 4.11Å
168	K	93.9	Very high	90.8	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-46.4	173.3	-62.8	171.7	179.1	174	0	111.9	D162 F164 F165 H170 G171 F172 S277 D313 D318	D162-K168 IonicContact OD2-NZ 3.87Å; D162-K168 PolarHBondContact OD2-NZ 3.24Å; F164-K168 PolarHBondContact O-N 3.36Å; F165-K168 WeakPolarHBondContact O-CB 3.42Å; F165-K168 PolarHBondContact O-N 3.05Å; K168-H170 PolarHBondContact O-N 3.33Å; K168-G171 PolarHBondContact O-N 3.47Å; K168-F172 PolarHBondContact O-N 3.4Å; K168-S277 WeakPolarHBondContact CD-OG 3.25Å; K168-S277 WeakPolarHBondContact CG-OG 3.24Å; K168-D313 PolarHBondContact NZ-O 3.25Å; K168-D318 WeakPolarHBondContact CD-OD1 3.34Å; K168-D318 IonicContact NZ-OD1 3.73Å; K168-D318 PolarHBondContact NZ-OD1 3.17Å; K168-D318 IonicContact NZ-OD2 3.99Å; K168-D318 PolarHBondContact NZ-OD2 3.29Å
169	K	91.1	Very high	90.5	Very high	33 Å²	33	32.5 Å²	32.5	14%	0.143	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-45.3	175	-73.8	-167.9	176	-172.5	0	112.5	F165 L166 F172 K173 W321 E329	F165-K169 HydrophobicContact CE1-CD 4.2Å; F165-K169 HydrophobicContact CZ-CD 4.4Å; F165-K169 PolarHBondContact O-N 2.69Å; L166-K169 HydrophobicContact CD2-CD 4.39Å; L166-K169 PolarHBondContact O-N 3.34Å; K169-F172 PolarHBondContact O-N 3.4Å; K169-K173 WeakPolarHBondContact O-CG 3.41Å; K169-K173 PolarHBondContact O-N 3.44Å; K169-K173 VanDerWaalsContact O-N 3.14Å; K169-W321 HydrophobicContact CB-CH2 4.44Å; K169-W321 HydrophobicContact CB-CZ2 4.32Å; K169-W321 HydrophobicContact CD-CZ2 4.07Å; K169-W321 VanDerWaalsContact CE-NE1 3.25Å; K169-W321 HydrophobicContact CG-CD2 4.4Å; K169-W321 HydrophobicContact CG-CH2 4.06Å; K169-W321 HydrophobicContact CG-CZ2 3.69Å; K169-E329 IonicContact NZ-OE2 3.68Å
170	H	88.4	Confident	90.5	Very high	89 Å²	89	28 Å²	28	41%	0.412	13%	0.133	S	C	.	.	H	α-helix	trans	-61.7	-46	178.5	-174.7	60.4	0	0	0	111.2	L166 K167 K168 F172 K173 N174	L166-H170 WeakPolarHBondContact O-CB 3.32Å; L166-H170 PolarHBondContact O-N 2.55Å; K167-H170 PolarHBondContact O-N 3.19Å; K168-H170 PolarHBondContact O-N 3.33Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 PolarHBondContact O-N 3.46Å; H170-K173 PolarHBondContact O-N 3.49Å; H170-K173 VanDerWaalsContact O-N 3.12Å; H170-N174 PolarHBondContact CD2-ND2 2.89Å; H170-N174 PolarHBondContact CE1-ND2 3.28Å; H170-N174 PolarHBondContact CE1-OD1 3.44Å; H170-N174 PolarHBondContact NE2-ND2 3.33Å; H170-N174 PolarHBondContact O-N 3.31Å
171	G	87.9	Confident	90.5	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-57.3	-41.7	175	0	0	0	0	0	113.4	K167 K168 K173 N174 A175	K167-G171 PolarHBondContact O-N 2.93Å; K168-G171 PolarHBondContact O-N 3.47Å; G171-K173 PolarHBondContact O-N 3.02Å; G171-N174 PolarHBondContact O-N 3.2Å; G171-A175 WeakPolarHBondContact O-CB 3.31Å; G171-A175 PolarHBondContact O-N 2.93Å
172	F	90	Very high	90.4	Very high	3 Å²	3	20 Å²	20	1%	0.013	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-45.8	174.5	-178.7	-83.8	0	0	0	112.3	K168 K169 H170 A175 I179 V282 W321 L322 M325 L330 Y338	K168-F172 PolarHBondContact O-N 3.4Å; K169-F172 PolarHBondContact O-N 3.4Å; H170-F172 VanDerWaalsContact C-N 3.32Å; H170-F172 PolarHBondContact O-N 3.46Å; F172-A175 PolarHBondContact O-N 2.96Å; F172-I179 HydrophobicContact CD2-CD1 3.9Å; F172-I179 HydrophobicContact CE1-CD1 4.39Å; F172-I179 HydrophobicContact CE2-CD1 3.79Å; F172-I179 HydrophobicContact CG-CD1 4.29Å; F172-I179 HydrophobicContact CZ-CD1 4.03Å; F172-V282 HydrophobicContact CD2-CG2 4.4Å; F172-V282 HydrophobicContact CE2-CG2 3.62Å; F172-V282 HydrophobicContact CZ-CG2 4.46Å; F172-W321 HydrophobicContact CB-CH2 3.95Å; F172-W321 HydrophobicContact CB-CZ3 4.16Å; F172-W321 AromaticContact CD1-CH2 3.9Å; F172-W321 HydrophobicContact CD1-CH2 3.9Å; F172-W321 HydrophobicContact CD1-CZ3 4.48Å; F172-W321 HydrophobicContact CD2-CH2 4.42Å; F172-W321 HydrophobicContact CD2-CZ3 4.2Å; F172-W321 AromaticContact CG-CH2 3.83Å; F172-W321 HydrophobicContact CG-CH2 3.83Å; F172-W321 HydrophobicContact CG-CZ3 4.02Å; F172-L322 HydrophobicContact CD2-CD1 4.41Å; F172-L322 HydrophobicContact CE2-CD1 3.96Å; F172-L322 HydrophobicContact CE2-CG 4.35Å; F172-M325 HydrophobicContact CD1-CE 4.29Å; F172-M325 HydrophobicContact CD1-SD 4.47Å; F172-M325 HydrophobicContact CE1-CE 3.53Å; F172-M325 HydrophobicContact CE1-SD 4.17Å; F172-M325 HydrophobicContact CZ-CE 3.69Å; F172-L330 HydrophobicContact CD1-CD2 4.29Å; F172-L330 HydrophobicContact CE1-CD2 3.92Å; F172-Y338 WeakPolarHBondContact CE1-OH 3.47Å
173	K	87.4	Confident	90.3	Very high	64 Å²	64	19.6 Å²	19.6	28%	0.278	9%	0.094	S	C	.	.	H	α-helix	trans	-65.5	-39.9	-178.7	-67.2	-175.6	-171.4	-163	0	112.1	K169 H170 G171 A175 G176 E329 L330 A333	K169-K173 WeakPolarHBondContact O-CG 3.41Å; K169-K173 PolarHBondContact O-N 3.44Å; K169-K173 VanDerWaalsContact O-N 3.14Å; H170-K173 PolarHBondContact O-N 3.49Å; H170-K173 VanDerWaalsContact O-N 3.12Å; G171-K173 PolarHBondContact O-N 3.02Å; K173-A175 VanDerWaalsContact C-N 3.29Å; K173-A175 PolarHBondContact O-N 3.36Å; K173-G176 PolarHBondContact O-N 3.45Å; K173-E329 WeakPolarHBondContact CE-O 3.19Å; K173-E329 PolarHBondContact NZ-O 2.75Å; K173-L330 HydrophobicContact CG-CD2 4.39Å; K173-A333 HydrophobicContact CB-CB 4.45Å
174	N	84.8	Confident	90.1	Very high	49 Å²	49	22.5 Å²	22.5	26%	0.262	11%	0.108	S	C	.	.	H	α-helix	trans	-71	-23.7	180	-67.5	-3.4	0	0	0	113	H170 G171 G176 G219 F221	H170-N174 PolarHBondContact CD2-ND2 2.89Å; H170-N174 PolarHBondContact CE1-ND2 3.28Å; H170-N174 PolarHBondContact CE1-OD1 3.44Å; H170-N174 PolarHBondContact NE2-ND2 3.33Å; H170-N174 PolarHBondContact O-N 3.31Å; G171-N174 PolarHBondContact O-N 3.2Å; N174-G176 PolarHBondContact O-N 2.97Å; N174-G219 PolarHBondContact ND2-O 3.13Å; N174-F221 HydrophobicContact CB-CD2 4.18Å; N174-F221 HydrophobicContact CB-CE2 4.29Å
175	A	87.4	Confident	89.9	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.017	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	17.2	177.5	0	0	0	0	0	114.1	G171 F172 K173 F178 I179 F211 P279	G171-A175 WeakPolarHBondContact O-CB 3.31Å; G171-A175 PolarHBondContact O-N 2.93Å; F172-A175 PolarHBondContact O-N 2.96Å; K173-A175 VanDerWaalsContact C-N 3.29Å; K173-A175 PolarHBondContact O-N 3.36Å; A175-F178 PolarHBondContact O-N 2.96Å; A175-I179 HydrophobicContact CB-CD1 4.08Å; A175-I179 HydrophobicContact CB-CG1 4.46Å; A175-I179 WeakPolarHBondContact O-CG1 3.17Å; A175-I179 PolarHBondContact O-N 3.49Å; A175-F211 HydrophobicContact CB-CD1 3.89Å; A175-F211 HydrophobicContact CB-CE1 4.03Å; A175-P279 HydrophobicContact CB-CB 3.68Å; A175-P279 HydrophobicContact CB-CG 3.66Å
176	G	87.2	Confident	89.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-47.7	-52.8	-177.5	0	0	0	0	0	116	K173 N174 F178 I179 N180 N334 Y338	K173-G176 PolarHBondContact O-N 3.45Å; N174-G176 PolarHBondContact O-N 2.97Å; G176-F178 PolarHBondContact O-N 3.32Å; G176-I179 PolarHBondContact O-N 3.45Å; G176-N180 WeakPolarHBondContact O-CB 3.42Å; G176-N180 PolarHBondContact O-N 2.99Å; G176-N334 VanDerWaalsContact CA-ND2 3.35Å; G176-N334 WeakPolarHBondContact CA-ND2 3.49Å; G176-Y338 WeakPolarHBondContact O-CE2 3.43Å
177	P	84.4	Confident	90	Very high	17 Å²	17	22.4 Å²	22.4	11%	0.11	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-48.2	179.8	-27.8	35.8	0	0	0	113.4	N180 S181 Q223 E225	P177-N180 WeakPolarHBondContact O-CB 3.16Å; P177-N180 PolarHBondContact O-N 2.94Å; P177-S181 PolarHBondContact O-N 3.43Å; P177-S181 PolarHBondContact O-OG 3.33Å; P177-Q223 HydrophobicContact CG-CG 4.49Å; P177-E225 HydrophobicContact CB-CB 4.25Å
178	F	87.3	Confident	90	Very high	4 Å²	4	25 Å²	25	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-48.9	178.1	171.4	-101.4	0	0	0	111.9	A175 G176 N180 S181 V182 A208 F211 I224 F226 P279 A283	A175-F178 PolarHBondContact O-N 2.96Å; G176-F178 PolarHBondContact O-N 3.32Å; F178-N180 VanDerWaalsContact C-N 3.26Å; F178-N180 PolarHBondContact O-N 3.01Å; F178-S181 PolarHBondContact O-N 3.33Å; F178-V182 HydrophobicContact CD1-CG2 4.48Å; F178-V182 HydrophobicContact CD2-CG2 4.23Å; F178-V182 HydrophobicContact CE1-CG2 4.03Å; F178-V182 HydrophobicContact CE2-CG2 3.74Å; F178-V182 HydrophobicContact CZ-CG2 3.63Å; F178-V182 WeakPolarHBondContact O-CG2 3.49Å; F178-V182 PolarHBondContact O-N 3.36Å; F178-A208 HydrophobicContact CE1-CB 3.79Å; F178-A208 HydrophobicContact CZ-CB 3.8Å; F178-F211 HydrophobicContact CB-CE1 4.25Å; F178-F211 HydrophobicContact CB-CE2 4.05Å; F178-F211 HydrophobicContact CB-CZ 3.51Å; F178-F211 HydrophobicContact CD1-CD2 4.36Å; F178-F211 AromaticContact CD1-CE2 3.72Å; F178-F211 HydrophobicContact CD1-CE2 3.72Å; F178-F211 HydrophobicContact CD1-CZ 4.04Å; F178-F211 AromaticContact CD2-CE2 3.87Å; F178-F211 HydrophobicContact CD2-CE2 3.87Å; F178-F211 HydrophobicContact CD2-CZ 4.08Å; F178-F211 HydrophobicContact CE1-CE2 4.12Å; F178-F211 HydrophobicContact CE2-CE2 4.25Å; F178-F211 AromaticContact CG-CE2 3.59Å; F178-F211 HydrophobicContact CG-CE2 3.59Å; F178-F211 AromaticContact CG-CZ 3.6Å; F178-F211 HydrophobicContact CG-CZ 3.6Å; F178-F211 HydrophobicContact CZ-CE2 4.36Å; F178-I224 WeakPolarHBondContact CA-O 3.41Å; F178-I224 WeakPolarHBondContact CB-O 3.38Å; F178-I224 HydrophobicContact CD2-CG2 4.38Å; F178-I224 PolarHBondContact N-O 3.38Å; F178-F226 HydrophobicContact CD2-CE1 4.04Å; F178-F226 HydrophobicContact CE2-CE1 4.18Å; F178-P279 HydrophobicContact CD1-CB 3.9Å; F178-P279 HydrophobicContact CE1-CB 4.14Å; F178-A283 HydrophobicContact CE1-CB 4.49Å
179	I	91.1	Very high	90	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-43.8	177.8	-70.5	167.7	0	0	0	109.9	F172 A175 G176 S181 V182 L183 P279 V282 Y338 V342	F172-I179 HydrophobicContact CD2-CD1 3.9Å; F172-I179 HydrophobicContact CE1-CD1 4.39Å; F172-I179 HydrophobicContact CE2-CD1 3.79Å; F172-I179 HydrophobicContact CG-CD1 4.29Å; F172-I179 HydrophobicContact CZ-CD1 4.03Å; A175-I179 HydrophobicContact CB-CD1 4.08Å; A175-I179 HydrophobicContact CB-CG1 4.46Å; A175-I179 WeakPolarHBondContact O-CG1 3.17Å; A175-I179 PolarHBondContact O-N 3.49Å; G176-I179 PolarHBondContact O-N 3.45Å; I179-S181 PolarHBondContact O-N 2.85Å; I179-V182 PolarHBondContact O-N 3.12Å; I179-L183 HydrophobicContact CG2-CD1 3.75Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 WeakPolarHBondContact O-CB 3.24Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.19Å; I179-P279 HydrophobicContact CD1-CB 4.2Å; I179-P279 HydrophobicContact CG1-CB 4.04Å; I179-V282 HydrophobicContact CD1-CG2 4.29Å; I179-V282 HydrophobicContact CG1-CB 4.45Å; I179-V282 HydrophobicContact CG1-CG1 4.49Å; I179-V282 HydrophobicContact CG1-CG2 4.25Å; I179-V282 HydrophobicContact CG2-CG1 4.1Å; I179-V282 HydrophobicContact CG2-CG2 4.38Å; I179-Y338 HydrophobicContact CB-CE2 3.85Å; I179-Y338 HydrophobicContact CG2-CD2 4.31Å; I179-Y338 HydrophobicContact CG2-CE2 3.51Å; I179-V342 HydrophobicContact CG2-CG2 4.32Å
180	N	89.7	Confident	90	Very high	16 Å²	16	29 Å²	29	9%	0.086	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-48.4	176.9	-169.1	49.3	0	0	0	111.6	G176 P177 F178 V182 L183 H184 Y338	G176-N180 WeakPolarHBondContact O-CB 3.42Å; G176-N180 PolarHBondContact O-N 2.99Å; P177-N180 WeakPolarHBondContact O-CB 3.16Å; P177-N180 PolarHBondContact O-N 2.94Å; F178-N180 VanDerWaalsContact C-N 3.26Å; F178-N180 PolarHBondContact O-N 3.01Å; N180-V182 PolarHBondContact O-N 3.14Å; N180-L183 PolarHBondContact O-N 3.01Å; N180-H184 VanDerWaalsContact O-CB 3.24Å; N180-H184 WeakPolarHBondContact O-CB 3.39Å; N180-H184 PolarHBondContact O-N 3.32Å; N180-Y338 HydrophobicContact CB-CD2 3.93Å; N180-Y338 WeakPolarHBondContact OD1-CA 3.35Å
181	S	88.9	Confident	90.1	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-44.5	179.6	-64.9	0	0	0	0	112.5	P177 F178 I179 H184 C185 F226	P177-S181 PolarHBondContact O-N 3.43Å; P177-S181 PolarHBondContact O-OG 3.33Å; F178-S181 PolarHBondContact O-N 3.33Å; I179-S181 PolarHBondContact O-N 2.85Å; S181-H184 PolarHBondContact O-N 2.53Å; S181-C185 PolarHBondContact O-N 3.36Å; S181-C185 PolarHBondContact O-SG 3.14Å; S181-F226 PolarHBondContact OG-O 2.77Å
182	V	92.6	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-43.9	179.3	-179.5	0	0	0	0	111.3	F178 I179 N180 H184 C185 L186 F201 A204 F226 C286	F178-V182 HydrophobicContact CD1-CG2 4.48Å; F178-V182 HydrophobicContact CD2-CG2 4.23Å; F178-V182 HydrophobicContact CE1-CG2 4.03Å; F178-V182 HydrophobicContact CE2-CG2 3.74Å; F178-V182 HydrophobicContact CZ-CG2 3.63Å; F178-V182 WeakPolarHBondContact O-CG2 3.49Å; F178-V182 PolarHBondContact O-N 3.36Å; I179-V182 PolarHBondContact O-N 3.12Å; N180-V182 PolarHBondContact O-N 3.14Å; V182-H184 VanDerWaalsContact C-N 3.31Å; V182-H184 PolarHBondContact O-N 2.95Å; V182-C185 PolarHBondContact O-N 3.08Å; V182-L186 PolarHBondContact O-N 3.34Å; V182-F201 HydrophobicContact CG1-CE1 4.47Å; V182-A204 HydrophobicContact CG1-CB 4.45Å; V182-A204 HydrophobicContact CG2-CB 4.31Å; V182-F226 HydrophobicContact CG2-CE1 4.49Å; V182-F226 HydrophobicContact CG2-CZ 4.04Å; V182-C286 HydrophobicContact CG1-CB 3.91Å
183	L	94.4	Very high	90.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-31	177.2	-66.7	-179.3	0	0	0	112.9	I179 N180 T187 V282 V342 W345 W349	I179-L183 HydrophobicContact CG2-CD1 3.75Å; I179-L183 HydrophobicContact CG2-CG 4.24Å; I179-L183 WeakPolarHBondContact O-CB 3.24Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.19Å; N180-L183 PolarHBondContact O-N 3.01Å; L183-T187 PolarHBondContact O-N 3.45Å; L183-T187 PolarHBondContact O-OG1 3.25Å; L183-V282 HydrophobicContact CD2-CG1 3.99Å; L183-V282 HydrophobicContact CG-CG1 4.28Å; L183-V342 HydrophobicContact CD1-CG2 3.82Å; L183-W345 HydrophobicContact CD2-CB 4.08Å; L183-W345 HydrophobicContact CD2-CG 3.88Å; L183-W345 PolarHBondContact O-NE1 2.92Å; L183-W349 HydrophobicContact CD2-CH2 3.75Å; L183-W349 HydrophobicContact CD2-CZ2 4.14Å
184	H	91.1	Very high	90.2	Very high	62 Å²	62	36.1 Å²	36.1	29%	0.287	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-47.2	172.5	-175.7	76.1	0	0	0	110.8	N180 S181 V182 L186 T187 K188	N180-H184 VanDerWaalsContact O-CB 3.24Å; N180-H184 WeakPolarHBondContact O-CB 3.39Å; N180-H184 PolarHBondContact O-N 3.32Å; S181-H184 PolarHBondContact O-N 2.53Å; V182-H184 VanDerWaalsContact C-N 3.31Å; V182-H184 PolarHBondContact O-N 2.95Å; H184-L186 VanDerWaalsContact C-N 3.35Å; H184-L186 PolarHBondContact O-N 2.98Å; H184-T187 WeakPolarHBondContact O-CB 3.41Å; H184-T187 PolarHBondContact O-N 3.25Å; H184-T187 VanDerWaalsContact O-N 3.14Å; H184-K188 WeakPolarHBondContact NE2-CE 3.33Å; H184-K188 PolarHBondContact NE2-NZ 3.08Å; H184-K188 PolarHBondContact O-N 3.3Å
185	C	91.7	Very high	90.5	Very high	13 Å²	13	38.9 Å²	38.9	9%	0.088	22%	0.22	C	C	.	.	H	α-helix	trans	-61.9	-42.1	175.8	-65.9	0	0	0	0	111.7	S181 V182 T187 K188 L189 F200 I229	S181-C185 PolarHBondContact O-N 3.36Å; S181-C185 PolarHBondContact O-SG 3.14Å; V182-C185 PolarHBondContact O-N 3.08Å; C185-T187 VanDerWaalsContact C-N 3.26Å; C185-T187 PolarHBondContact O-N 2.75Å; C185-K188 CarbonylContact O-C 3.6Å; C185-K188 PolarHBondContact O-N 3.38Å; C185-L189 PolarHBondContact O-N 2.84Å; C185-F200 HydrophobicContact CB-CD1 4.21Å; C185-F200 HydrophobicContact CB-CE1 3.38Å; C185-F200 HydrophobicContact CB-CZ 3.64Å; C185-I229 HydrophobicContact CB-CD1 4.27Å
186	L	95.1	Very high	90.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-34.7	175.1	-169.4	67.6	0	0	0	112.2	V182 H184 K188 L189 F201 C286 E289 W345 W349	V182-L186 PolarHBondContact O-N 3.34Å; H184-L186 VanDerWaalsContact C-N 3.35Å; H184-L186 PolarHBondContact O-N 2.98Å; L186-K188 PolarHBondContact O-N 3.34Å; L186-L189 HydrophobicContact CD1-CD2 4.33Å; L186-L189 VanDerWaalsContact O-CB 3.24Å; L186-L189 WeakPolarHBondContact O-CB 3.39Å; L186-L189 PolarHBondContact O-N 2.95Å; L186-F201 HydrophobicContact CB-CE1 3.99Å; L186-F201 HydrophobicContact CB-CZ 4.06Å; L186-F201 HydrophobicContact CD1-CE1 3.77Å; L186-F201 HydrophobicContact CD1-CE2 4.42Å; L186-F201 HydrophobicContact CD1-CZ 3.73Å; L186-F201 HydrophobicContact CG-CE1 4.47Å; L186-C286 HydrophobicContact CD1-CB 4.44Å; L186-C286 HydrophobicContact CD2-CB 4.07Å; L186-E289 HydrophobicContact CD1-CB 4.2Å; L186-E289 HydrophobicContact CD1-CG 4.22Å; L186-E289 HydrophobicContact CD2-CB 4.16Å; L186-E289 HydrophobicContact CD2-CG 4.11Å; L186-W345 HydrophobicContact CB-CH2 4.43Å; L186-W345 HydrophobicContact CB-CZ2 3.86Å; L186-W345 HydrophobicContact CD2-CD2 3.68Å; L186-W345 HydrophobicContact CD2-CE3 3.67Å; L186-W345 HydrophobicContact CD2-CG 4.46Å; L186-W345 HydrophobicContact CD2-CH2 3.66Å; L186-W345 HydrophobicContact CD2-CZ2 3.63Å; L186-W345 HydrophobicContact CD2-CZ3 3.68Å; L186-W345 HydrophobicContact CG-CD2 4.43Å; L186-W345 HydrophobicContact CG-CE3 4.46Å; L186-W345 HydrophobicContact CG-CH2 3.52Å; L186-W345 HydrophobicContact CG-CZ2 3.43Å; L186-W345 VanDerWaalsContact CG-CZ2 3.43Å; L186-W345 HydrophobicContact CG-CZ3 4.05Å; L186-W349 HydrophobicContact CD2-CZ2 4.21Å
187	T	94	Very high	91	Very high	58 Å²	58	42.5 Å²	42.5	36%	0.356	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-29.5	175.4	-67.1	0	0	0	0	112.8	L183 H184 C185 K344 W345	L183-T187 PolarHBondContact O-N 3.45Å; L183-T187 PolarHBondContact O-OG1 3.25Å; H184-T187 WeakPolarHBondContact O-CB 3.41Å; H184-T187 PolarHBondContact O-N 3.25Å; H184-T187 VanDerWaalsContact O-N 3.14Å; C185-T187 VanDerWaalsContact C-N 3.26Å; C185-T187 PolarHBondContact O-N 2.75Å; T187-K344 PolarHBondContact OG1-NZ 3.41Å; T187-W345 PolarHBondContact OG1-NE1 2.91Å
188	K	92.1	Very high	91.5	Very high	95 Å²	95	41.7 Å²	41.7	41%	0.413	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	17.3	177.9	-65.8	178.6	170.3	172.5	0	112.8	H184 C185 L186 S190 D191	H184-K188 WeakPolarHBondContact NE2-CE 3.33Å; H184-K188 PolarHBondContact NE2-NZ 3.08Å; H184-K188 PolarHBondContact O-N 3.3Å; C185-K188 CarbonylContact O-C 3.6Å; C185-K188 PolarHBondContact O-N 3.38Å; L186-K188 PolarHBondContact O-N 3.34Å; K188-S190 PolarHBondContact O-N 3.09Å; K188-S190 VanDerWaalsContact O-N 3.15Å; K188-D191 WeakPolarHBondContact O-CB 3.1Å; K188-D191 PolarHBondContact O-N 3.15Å
189	L	92.5	Very high	91.8	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.084	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-55.1	-36.6	-174.7	173	62.6	0	0	0	113	C185 L186 D191 L192 A197 F201 Y290 T293	C185-L189 PolarHBondContact O-N 2.84Å; L186-L189 HydrophobicContact CD1-CD2 4.33Å; L186-L189 VanDerWaalsContact O-CB 3.24Å; L186-L189 WeakPolarHBondContact O-CB 3.39Å; L186-L189 PolarHBondContact O-N 2.95Å; L189-D191 PolarHBondContact O-N 3.23Å; L189-L192 PolarHBondContact O-N 3.12Å; L189-A197 HydrophobicContact CD1-CB 3.75Å; L189-F201 HydrophobicContact CD1-CD2 4.49Å; L189-F201 HydrophobicContact CD1-CE2 3.74Å; L189-Y290 HydrophobicContact CD1-CD2 3.71Å; L189-Y290 HydrophobicContact CD1-CE2 4.35Å; L189-Y290 HydrophobicContact CD2-CD2 4.43Å; L189-T293 HydrophobicContact CD2-CG2 3.71Å
190	S	91.5	Very high	92	Very high	107 Å²	107	43.3 Å²	43.3	75%	0.748	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-60.6	-23.6	177.4	52.8	0	0	0	0	114.2	K188	K188-S190 PolarHBondContact O-N 3.09Å; K188-S190 VanDerWaalsContact O-N 3.15Å
191	D	91	Very high	92.3	Very high	120 Å²	120	42.5 Å²	42.5	64%	0.642	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-93.7	-5.3	-173.9	-50.3	-20	0	0	0	111.3	K188 L189	K188-D191 WeakPolarHBondContact O-CB 3.1Å; K188-D191 PolarHBondContact O-N 3.15Å; L189-D191 PolarHBondContact O-N 3.23Å
192	L	88.8	Confident	92.7	Very high	35 Å²	35	42.1 Å²	42.1	18%	0.183	23%	0.234	C	C	.	.	S	Bend	trans	-96.4	134.6	-176.9	-61.3	177.5	0	0	0	111.5	L189 S194 A197 I229	L189-L192 PolarHBondContact O-N 3.12Å; L192-S194 PolarHBondContact O-N 3.43Å; L192-A197 HydrophobicContact CB-CB 3.96Å; L192-A197 HydrophobicContact CD1-CB 4.34Å; L192-I229 HydrophobicContact CD1-CD1 3.54Å; L192-I229 HydrophobicContact CD2-CD1 3.47Å; L192-I229 VanDerWaalsContact CD2-CD1 3.47Å; L192-I229 HydrophobicContact CG-CD1 4.17Å
193	P	91.1	Very high	92.9	Very high	77 Å²	77	42.6 Å²	42.6	50%	0.5	24%	0.236	S	C	.	.			trans	-53.8	139	165.7	-23.2	32.7	0	0	0	111.3	E195 Q196 A197	P193-E195 VanDerWaalsContact C-N 3.31Å; P193-E195 PolarHBondContact O-N 2.77Å; P193-Q196 HydrophobicContact CB-CB 4.14Å; P193-Q196 VanDerWaalsContact CD-OE1 3.32Å; P193-Q196 HydrophobicContact CG-CB 4.4Å; P193-Q196 PolarHBondContact O-N 3.43Å; P193-A197 PolarHBondContact O-N 3.22Å
194	S	88.6	Confident	92.9	Very high	73 Å²	73	42.5 Å²	42.5	51%	0.51	24%	0.236	S	C	.	.	H	α-helix	trans	-52.5	-44.8	-173.1	178.3	0	0	0	0	113.8	L192 A197 F198 Y290	L192-S194 PolarHBondContact O-N 3.43Å; S194-A197 PolarHBondContact O-N 3.34Å; S194-F198 WeakPolarHBondContact O-CB 3.29Å; S194-F198 PolarHBondContact O-N 2.77Å; S194-Y290 PolarHBondContact O-OH 3.18Å
195	E	90.1	Very high	93.1	Very high	107 Å²	107	39.5 Å²	39.5	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-69.3	-39.8	178.5	-177.6	171.1	-153.8	0	0	112.4	P193 F198 N199	P193-E195 VanDerWaalsContact C-N 3.31Å; P193-E195 PolarHBondContact O-N 2.77Å; E195-F198 PolarHBondContact O-N 3.16Å; E195-N199 WeakPolarHBondContact O-CB 3.32Å; E195-N199 PolarHBondContact O-N 2.83Å
196	Q	91.4	Very high	93.3	Very high	77 Å²	77	38.9 Å²	38.9	36%	0.36	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-41.1	176.7	-171.8	177	23.3	0	0	111.1	P193 F200 I229	P193-Q196 HydrophobicContact CB-CB 4.14Å; P193-Q196 VanDerWaalsContact CD-OE1 3.32Å; P193-Q196 HydrophobicContact CG-CB 4.4Å; P193-Q196 PolarHBondContact O-N 3.43Å; Q196-F200 VanDerWaalsContact O-CB 3.29Å; Q196-F200 WeakPolarHBondContact O-CB 3.47Å; Q196-F200 PolarHBondContact O-N 2.82Å; Q196-I229 HydrophobicContact CG-CG2 4.12Å
197	A	93.7	Very high	93.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-47	174	0	0	0	0	0	111.1	L189 L192 P193 S194 N199 F200 F201 Y290	L189-A197 HydrophobicContact CD1-CB 3.75Å; L192-A197 HydrophobicContact CB-CB 3.96Å; L192-A197 HydrophobicContact CD1-CB 4.34Å; P193-A197 PolarHBondContact O-N 3.22Å; S194-A197 PolarHBondContact O-N 3.34Å; A197-N199 PolarHBondContact O-N 2.8Å; A197-F200 PolarHBondContact O-N 2.75Å; A197-F201 HydrophobicContact CB-CE2 4.43Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 PolarHBondContact O-N 2.86Å; A197-Y290 HydrophobicContact CB-CD2 4Å; A197-Y290 HydrophobicContact CB-CE2 3.62Å
198	F	95.4	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54	-55.6	176.3	-177.8	-96.9	0	0	0	111.3	S194 E195 F200 F201 L202 L248 H249 Y290 F291	S194-F198 WeakPolarHBondContact O-CB 3.29Å; S194-F198 PolarHBondContact O-N 2.77Å; E195-F198 PolarHBondContact O-N 3.16Å; F198-F200 VanDerWaalsContact C-N 3.28Å; F198-F200 PolarHBondContact O-N 3.28Å; F198-F201 PolarHBondContact O-N 2.94Å; F198-L202 HydrophobicContact CE1-CD2 3.7Å; F198-L202 HydrophobicContact CZ-CD2 3.98Å; F198-L202 VanDerWaalsContact O-CB 3.25Å; F198-L202 WeakPolarHBondContact O-CB 3.36Å; F198-L202 PolarHBondContact O-N 2.7Å; F198-L248 HydrophobicContact CZ-CB 4.26Å; F198-L248 HydrophobicContact CZ-CD2 4Å; F198-L248 HydrophobicContact CZ-CG 3.85Å; F198-H249 HydrophobicContact CD1-CB 3.67Å; F198-H249 AromaticContact CD1-CD2 3.75Å; F198-H249 AromaticContact CD1-CG 3.87Å; F198-H249 AromaticContact CD2-CD2 3.86Å; F198-H249 HydrophobicContact CE1-CB 3.57Å; F198-H249 HydrophobicContact CG-CB 4.29Å; F198-H249 AromaticContact CG-CD2 3.49Å; F198-H249 VanDerWaalsContact CG-CD2 3.49Å; F198-H249 WeakPolarHBondContact CG-CD2 3.24Å; F198-H249 HydrophobicContact CZ-CB 4.12Å; F198-Y290 HydrophobicContact CB-CE1 4.36Å; F198-Y290 WeakPolarHBondContact CB-OH 3.27Å; F198-Y290 AromaticContact CD2-CE1 3.78Å; F198-Y290 HydrophobicContact CD2-CE1 3.78Å; F198-F291 HydrophobicContact CE2-CE1 4.3Å; F198-F291 HydrophobicContact CE2-CZ 4.44Å
199	N	94.2	Very high	92.8	Very high	38 Å²	38	31.7 Å²	31.7	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-38.6	-178	-75.3	-19.7	0	0	0	111.8	E195 A197 N203 I233	E195-N199 WeakPolarHBondContact O-CB 3.32Å; E195-N199 PolarHBondContact O-N 2.83Å; A197-N199 PolarHBondContact O-N 2.8Å; N199-N203 VanDerWaalsContact O-CB 3.31Å; N199-N203 WeakPolarHBondContact O-CB 3.46Å; N199-N203 PolarHBondContact O-N 2.8Å; N199-N203 VanDerWaalsContact O-N 3.1Å; N199-N203 PolarHBondContact O-ND2 3.15Å; N199-I233 HydrophobicContact CB-CD1 4.39Å
200	F	94.5	Very high	92.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-55.2	176.8	177.1	-101.2	0	0	0	112.5	C185 Q196 A197 F198 L202 N203 A204 F226 I229 F232	C185-F200 HydrophobicContact CB-CD1 4.21Å; C185-F200 HydrophobicContact CB-CE1 3.38Å; C185-F200 HydrophobicContact CB-CZ 3.64Å; Q196-F200 VanDerWaalsContact O-CB 3.29Å; Q196-F200 WeakPolarHBondContact O-CB 3.47Å; Q196-F200 PolarHBondContact O-N 2.82Å; A197-F200 PolarHBondContact O-N 2.75Å; F198-F200 VanDerWaalsContact C-N 3.28Å; F198-F200 PolarHBondContact O-N 3.28Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 3.09Å; F200-N203 PolarHBondContact O-N 3.44Å; F200-A204 VanDerWaalsContact O-CB 3.29Å; F200-A204 WeakPolarHBondContact O-CB 3.35Å; F200-A204 PolarHBondContact O-N 3.02Å; F200-F226 AromaticContact CE2-CE2 3.54Å; F200-F226 HydrophobicContact CE2-CE2 3.54Å; F200-F226 AromaticContact CE2-CZ 3.76Å; F200-F226 HydrophobicContact CE2-CZ 3.76Å; F200-F226 AromaticContact CZ-CE2 3.67Å; F200-F226 HydrophobicContact CZ-CE2 3.67Å; F200-F226 AromaticContact CZ-CZ 3.7Å; F200-F226 HydrophobicContact CZ-CZ 3.7Å; F200-I229 HydrophobicContact CB-CG2 3.97Å; F200-I229 HydrophobicContact CD2-CB 4.19Å; F200-I229 HydrophobicContact CD2-CG1 3.86Å; F200-I229 HydrophobicContact CD2-CG2 3.71Å; F200-I229 HydrophobicContact CE2-CG1 3.97Å; F200-I229 HydrophobicContact CG-CD1 4.44Å; F200-I229 HydrophobicContact CG-CG1 4.24Å; F200-I229 HydrophobicContact CG-CG2 4.03Å; F200-I229 HydrophobicContact CZ-CG1 4.45Å; F200-F232 AromaticContact CD2-CD1 3.79Å; F200-F232 HydrophobicContact CD2-CD1 3.79Å; F200-F232 HydrophobicContact CD2-CE1 4.32Å; F200-F232 AromaticContact CE2-CD1 3.78Å; F200-F232 HydrophobicContact CE2-CD1 3.78Å; F200-F232 HydrophobicContact CE2-CE1 4.29Å; F200-F232 HydrophobicContact CE2-CG 4.32Å
201	F	96.3	Very high	91.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-31.5	-175.8	-69	-68.6	0	0	0	112.7	V182 L186 L189 A197 F198 S205 C286 L287 Y290	V182-F201 HydrophobicContact CG1-CE1 4.47Å; L186-F201 HydrophobicContact CB-CE1 3.99Å; L186-F201 HydrophobicContact CB-CZ 4.06Å; L186-F201 HydrophobicContact CD1-CE1 3.77Å; L186-F201 HydrophobicContact CD1-CE2 4.42Å; L186-F201 HydrophobicContact CD1-CZ 3.73Å; L186-F201 HydrophobicContact CG-CE1 4.47Å; L189-F201 HydrophobicContact CD1-CD2 4.49Å; L189-F201 HydrophobicContact CD1-CE2 3.74Å; A197-F201 HydrophobicContact CB-CE2 4.43Å; A197-F201 WeakPolarHBondContact O-CD2 3.47Å; A197-F201 PolarHBondContact O-N 2.86Å; F198-F201 PolarHBondContact O-N 2.94Å; F201-S205 WeakPolarHBondContact O-CB 3.45Å; F201-S205 PolarHBondContact O-N 3.03Å; F201-C286 HydrophobicContact CD1-CB 3.86Å; F201-C286 HydrophobicContact CE1-CB 4.03Å; F201-L287 HydrophobicContact CB-CB 4.35Å; F201-L287 HydrophobicContact CB-CD1 3.9Å; F201-Y290 HydrophobicContact CB-CG 4.48Å; F201-Y290 AromaticContact CD2-CD2 3.82Å; F201-Y290 HydrophobicContact CD2-CD2 3.82Å; F201-Y290 AromaticContact CD2-CG 3.87Å; F201-Y290 HydrophobicContact CD2-CG 3.87Å; F201-Y290 HydrophobicContact CE2-CD2 4.33Å; F201-Y290 HydrophobicContact CG-CG 4.42Å
202	L	97.3	Very high	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-47.5	173.3	-172.1	68.8	0	0	0	111.1	F198 F200 S205 L206 L248 L287 L460 I495	F198-L202 HydrophobicContact CE1-CD2 3.7Å; F198-L202 HydrophobicContact CZ-CD2 3.98Å; F198-L202 VanDerWaalsContact O-CB 3.25Å; F198-L202 WeakPolarHBondContact O-CB 3.36Å; F198-L202 PolarHBondContact O-N 2.7Å; F200-L202 VanDerWaalsContact C-N 3.34Å; F200-L202 PolarHBondContact O-N 3.09Å; L202-S205 PolarHBondContact O-N 2.8Å; L202-L206 PolarHBondContact O-N 2.93Å; L202-L248 HydrophobicContact CD1-CD2 4.12Å; L202-L248 HydrophobicContact CD2-CD2 4.28Å; L202-L287 HydrophobicContact CD1-CD2 4.45Å; L202-L460 HydrophobicContact CD1-CD1 3.81Å; L202-L460 HydrophobicContact CD1-CD2 3.9Å; L202-L460 HydrophobicContact CD1-CG 4.48Å; L202-L460 HydrophobicContact CG-CD2 4.36Å; L202-I495 HydrophobicContact CD2-CD1 3.93Å; L202-I495 HydrophobicContact CD2-CG2 4.06Å; L202-I495 HydrophobicContact CG-CD1 4.28Å
203	N	95.2	Very high	89.1	Confident	10 Å²	10	21.8 Å²	21.8	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-38.1	177.5	-82.4	-79.8	0	0	0	112.3	N199 F200 S205 L206 W207 F232 I233 V236	N199-N203 VanDerWaalsContact O-CB 3.31Å; N199-N203 WeakPolarHBondContact O-CB 3.46Å; N199-N203 PolarHBondContact O-N 2.8Å; N199-N203 VanDerWaalsContact O-N 3.1Å; N199-N203 PolarHBondContact O-ND2 3.15Å; F200-N203 PolarHBondContact O-N 3.44Å; N203-S205 VanDerWaalsContact C-N 3.31Å; N203-S205 PolarHBondContact O-N 3.23Å; N203-L206 PolarHBondContact O-N 2.79Å; N203-W207 WeakPolarHBondContact O-CB 3.19Å; N203-W207 PolarHBondContact O-N 2.88Å; N203-W207 PolarHBondContact OD1-NE1 2.75Å; N203-F232 HydrophobicContact CB-CE1 3.89Å; N203-I233 HydrophobicContact CB-CD1 4.17Å; N203-V236 HydrophobicContact CB-CG2 4.02Å; N203-V236 WeakPolarHBondContact OD1-CG2 3.5Å
204	A	94.4	Very high	87.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-44.8	174.9	0	0	0	0	0	110.7	V182 F200 A208 F232 A283	V182-A204 HydrophobicContact CG1-CB 4.45Å; V182-A204 HydrophobicContact CG2-CB 4.31Å; F200-A204 VanDerWaalsContact O-CB 3.29Å; F200-A204 WeakPolarHBondContact O-CB 3.35Å; F200-A204 PolarHBondContact O-N 3.02Å; A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 2.89Å; A204-F232 HydrophobicContact CB-CE1 4.39Å; A204-A283 WeakPolarHBondContact O-CB 3.46Å
205	S	97	Very high	86.7	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.1	-51.2	172.9	168.7	0	0	0	0	111.1	F201 L202 N203 D284 K396	F201-S205 WeakPolarHBondContact O-CB 3.45Å; F201-S205 PolarHBondContact O-N 3.03Å; L202-S205 PolarHBondContact O-N 2.8Å; N203-S205 VanDerWaalsContact C-N 3.31Å; N203-S205 PolarHBondContact O-N 3.23Å; S205-D284 WeakPolarHBondContact CB-OD1 3.44Å; S205-D284 PolarHBondContact OG-OD1 2.71Å; S205-K396 PolarHBondContact O-NZ 3.04Å; S205-K396 WeakPolarHBondContact OG-CE 3.47Å; S205-K396 PolarHBondContact OG-NZ 3.27Å
206	L	96.2	Very high	85.6	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.3	-55.5	179.1	170.4	61.3	0	0	0	112.5	L202 N203 N209 L240 L460 R461 V462 I495	L202-L206 PolarHBondContact O-N 2.93Å; N203-L206 PolarHBondContact O-N 2.79Å; L206-N209 WeakPolarHBondContact O-CB 3.18Å; L206-N209 PolarHBondContact O-N 2.8Å; L206-L240 HydrophobicContact CD2-CD2 3.53Å; L206-L460 HydrophobicContact CB-CB 4.44Å; L206-L460 HydrophobicContact CD1-CB 4.07Å; L206-R461 VanDerWaalsContact CD1-C 3.43Å; L206-R461 VanDerWaalsContact CD1-N 3.33Å; L206-R461 WeakPolarHBondContact CD1-O 3.35Å; L206-V462 HydrophobicContact CD1-CG2 4.22Å; L206-V462 WeakPolarHBondContact O-CG2 3.48Å; L206-I495 HydrophobicContact CD2-CD1 4.13Å; L206-I495 HydrophobicContact CD2-CG1 3.65Å
207	W	93.1	Very high	83.9	Confident	2 Å²	2	14.5 Å²	14.5	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-83.9	-11.3	-168.8	-65.8	104.3	0	0	0	113.8	N203 N209 E210 F232 V236 Q239 L240 V462 G493	N203-W207 WeakPolarHBondContact O-CB 3.19Å; N203-W207 PolarHBondContact O-N 2.88Å; N203-W207 PolarHBondContact OD1-NE1 2.75Å; W207-N209 PolarHBondContact O-N 2.79Å; W207-N209 VanDerWaalsContact O-N 3.15Å; W207-E210 HydrophobicContact CE3-CG 3.91Å; W207-E210 WeakPolarHBondContact CZ3-OE1 3.46Å; W207-E210 VanDerWaalsContact O-CB 3.31Å; W207-E210 WeakPolarHBondContact O-CB 3.43Å; W207-E210 WeakPolarHBondContact O-CG 3.36Å; W207-E210 PolarHBondContact O-N 2.82Å; W207-F232 HydrophobicContact CB-CZ 4.41Å; W207-V236 HydrophobicContact CB-CG1 4.47Å; W207-V236 HydrophobicContact CD2-CB 4.37Å; W207-V236 HydrophobicContact CD2-CG1 4.17Å; W207-V236 HydrophobicContact CG-CB 4.26Å; W207-V236 HydrophobicContact CG-CG1 3.82Å; W207-V236 HydrophobicContact CZ2-CB 4.38Å; W207-Q239 HydrophobicContact CH2-CB 3.33Å; W207-Q239 HydrophobicContact CH2-CG 4.43Å; W207-Q239 HydrophobicContact CZ2-CB 3.68Å; W207-Q239 HydrophobicContact CZ3-CB 4.2Å; W207-L240 HydrophobicContact CZ2-CD2 3.95Å; W207-L240 HydrophobicContact CZ2-CG 4.22Å; W207-V462 HydrophobicContact CE3-CG2 3.95Å; W207-V462 HydrophobicContact CZ3-CG2 4.23Å; W207-G493 VanDerWaalsContact CH2-N 3.25Å
208	A	91.4	Very high	82.3	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.008	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.1	168.5	0	0	0	0	0	112.7	F178 A204 E210 F211 E280 A283	F178-A208 HydrophobicContact CE1-CB 3.79Å; F178-A208 HydrophobicContact CZ-CB 3.8Å; A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 2.89Å; A208-E210 PolarHBondContact O-N 3.01Å; A208-F211 WeakPolarHBondContact O-CB 3.33Å; A208-F211 WeakPolarHBondContact O-CD2 3.43Å; A208-F211 PolarHBondContact O-N 2.82Å; A208-E280 HydrophobicContact CB-CB 4.13Å; A208-E280 HydrophobicContact CB-CG 4.47Å; A208-A283 HydrophobicContact CB-CB 3.63Å
209	N	86.2	Confident	80.5	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.5	170.9	-163.5	-105	0	0	0	112.3	L206 W207 F211 D212 D275 N276 E280 V462 K464	L206-N209 WeakPolarHBondContact O-CB 3.18Å; L206-N209 PolarHBondContact O-N 2.8Å; W207-N209 PolarHBondContact O-N 2.79Å; W207-N209 VanDerWaalsContact O-N 3.15Å; N209-F211 PolarHBondContact O-N 2.79Å; N209-D212 VanDerWaalsContact O-CB 3.28Å; N209-D212 WeakPolarHBondContact O-CB 3.46Å; N209-D212 PolarHBondContact O-N 3.29Å; N209-D275 PolarHBondContact ND2-OD2 3.24Å; N209-N276 PolarHBondContact ND2-ND2 2.9Å; N209-N276 VanDerWaalsContact ND2-ND2 3.13Å; N209-E280 PolarHBondContact ND2-OE1 2.69Å; N209-E280 PolarHBondContact ND2-OE2 2.87Å; N209-V462 HydrophobicContact CB-CB 4.27Å; N209-V462 HydrophobicContact CB-CG2 3.9Å; N209-K464 PolarHBondContact O-NZ 2.85Å; N209-K464 VanDerWaalsContact OD1-CE 3.29Å; N209-K464 WeakPolarHBondContact OD1-CE 3.42Å; N209-K464 PolarHBondContact OD1-NZ 2.7Å
210	E	80.1	Confident	78.8	Confident	38 Å²	38	23.8 Å²	23.8	18%	0.178	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-61.7	-22.8	170.6	-69	-176.7	154.5	0	0	112.3	W207 A208 D212 I224	W207-E210 HydrophobicContact CE3-CG 3.91Å; W207-E210 WeakPolarHBondContact CZ3-OE1 3.46Å; W207-E210 VanDerWaalsContact O-CB 3.31Å; W207-E210 WeakPolarHBondContact O-CB 3.43Å; W207-E210 WeakPolarHBondContact O-CG 3.36Å; W207-E210 PolarHBondContact O-N 2.82Å; A208-E210 PolarHBondContact O-N 3.01Å; E210-D212 PolarHBondContact O-N 3.05Å; E210-I224 WeakPolarHBondContact OE2-CD1 3.36Å
211	F	71.9	Confident	77.2	Confident	14 Å²	14	25.2 Å²	25.2	6%	0.061	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-80.7	32.7	175.1	-64.2	-92.8	0	0	0	113.3	A175 F178 A208 N209 L213 F221 I224 P279	A175-F211 HydrophobicContact CB-CD1 3.89Å; A175-F211 HydrophobicContact CB-CE1 4.03Å; F178-F211 HydrophobicContact CB-CE1 4.25Å; F178-F211 HydrophobicContact CB-CE2 4.05Å; F178-F211 HydrophobicContact CB-CZ 3.51Å; F178-F211 HydrophobicContact CD1-CD2 4.36Å; F178-F211 AromaticContact CD1-CE2 3.72Å; F178-F211 HydrophobicContact CD1-CE2 3.72Å; F178-F211 HydrophobicContact CD1-CZ 4.04Å; F178-F211 AromaticContact CD2-CE2 3.87Å; F178-F211 HydrophobicContact CD2-CE2 3.87Å; F178-F211 HydrophobicContact CD2-CZ 4.08Å; F178-F211 HydrophobicContact CE1-CE2 4.12Å; F178-F211 HydrophobicContact CE2-CE2 4.25Å; F178-F211 AromaticContact CG-CE2 3.59Å; F178-F211 HydrophobicContact CG-CE2 3.59Å; F178-F211 AromaticContact CG-CZ 3.6Å; F178-F211 HydrophobicContact CG-CZ 3.6Å; F178-F211 HydrophobicContact CZ-CE2 4.36Å; A208-F211 WeakPolarHBondContact O-CB 3.33Å; A208-F211 WeakPolarHBondContact O-CD2 3.43Å; A208-F211 PolarHBondContact O-N 2.82Å; N209-F211 PolarHBondContact O-N 2.79Å; F211-L213 PolarHBondContact O-N 2.81Å; F211-F221 HydrophobicContact CB-CD1 4.1Å; F211-F221 HydrophobicContact CB-CE1 3.84Å; F211-F221 HydrophobicContact CB-CZ 4.05Å; F211-F221 HydrophobicContact CD1-CB 3.83Å; F211-F221 AromaticContact CD1-CD1 3.8Å; F211-F221 HydrophobicContact CD1-CD1 3.8Å; F211-F221 AromaticContact CD1-CD2 3.7Å; F211-F221 HydrophobicContact CD1-CD2 3.7Å; F211-F221 HydrophobicContact CD1-CE1 4.25Å; F211-F221 HydrophobicContact CD1-CE2 4.13Å; F211-F221 AromaticContact CD1-CG 3.49Å; F211-F221 HydrophobicContact CD1-CG 3.49Å; F211-F221 VanDerWaalsContact CD1-CG 3.49Å; F211-F221 HydrophobicContact CD1-CZ 4.38Å; F211-F221 HydrophobicContact CE1-CB 3.95Å; F211-F221 HydrophobicContact CE1-CD2 4.35Å; F211-F221 HydrophobicContact CE1-CG 4.11Å; F211-F221 HydrophobicContact CG-CD1 4.34Å; F211-F221 HydrophobicContact CG-CG 4.44Å; F211-F221 WeakPolarHBondContact O-CE1 3.45Å; F211-F221 VanDerWaalsContact O-CZ 3.31Å; F211-F221 WeakPolarHBondContact O-CZ 3.39Å; F211-I224 HydrophobicContact CE2-CD1 4.24Å; F211-I224 HydrophobicContact CZ-CB 4.18Å; F211-I224 HydrophobicContact CZ-CD1 4.11Å; F211-I224 HydrophobicContact CZ-CG1 4.45Å; F211-P279 HydrophobicContact CB-CB 4.4Å; F211-P279 HydrophobicContact CB-CG 3.33Å; F211-P279 HydrophobicContact CD1-CG 4.11Å; F211-P279 HydrophobicContact CD2-CB 4.35Å; F211-P279 HydrophobicContact CD2-CG 4.13Å; F211-P279 HydrophobicContact CG-CB 4.25Å; F211-P279 HydrophobicContact CG-CG 3.61Å
212	D	67.7	Low	75.4	Confident	10 Å²	10	33.6 Å²	33.6	5%	0.053	17%	0.172	C	C	.	.			trans	-77.8	118.2	-175.8	176.4	-9.1	0	0	0	112.7	N209 E210 S214 L215 H216 K464	N209-D212 VanDerWaalsContact O-CB 3.28Å; N209-D212 WeakPolarHBondContact O-CB 3.46Å; N209-D212 PolarHBondContact O-N 3.29Å; E210-D212 PolarHBondContact O-N 3.05Å; D212-S214 VanDerWaalsContact CG-OG 3.24Å; D212-S214 PolarHBondContact O-N 2.8Å; D212-S214 WeakPolarHBondContact OD1-CA 3.23Å; D212-S214 VanDerWaalsContact OD1-CB 3.25Å; D212-S214 WeakPolarHBondContact OD1-CB 3.27Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 3.04Å; D212-S214 PolarHBondContact OD2-OG 3.1Å; D212-L215 PolarHBondContact O-N 3.14Å; D212-L215 VanDerWaalsContact O-N 3.14Å; D212-H216 PolarHBondContact O-CD2 2.74Å; D212-H216 PolarHBondContact O-N 3.27Å; D212-K464 VanDerWaalsContact CG-NZ 3.32Å; D212-K464 WeakPolarHBondContact OD2-CD 3.21Å; D212-K464 IonicContact OD2-NZ 2.85Å; D212-K464 PolarHBondContact OD2-NZ 2.98Å
213	L	64.9	Low	73.5	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.047	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12	-175.9	-69.1	171.7	0	0	0	114.4	K167 F211 H216 F221 V311	K167-L213 WeakPolarHBondContact CE-O 3.43Å; K167-L213 HydrophobicContact CG-CD1 4.29Å; K167-L213 PolarHBondContact NZ-O 3.05Å; K167-L213 VanDerWaalsContact NZ-O 3.16Å; F211-L213 PolarHBondContact O-N 2.81Å; L213-H216 CarbonylContact O-C 3.5Å; L213-F221 HydrophobicContact CD2-CE1 4.31Å; L213-F221 HydrophobicContact CD2-CE2 4.41Å; L213-F221 HydrophobicContact CD2-CZ 3.58Å; L213-F221 HydrophobicContact CG-CZ 4.26Å; L213-V311 HydrophobicContact CB-CG1 4.21Å
214	S	64.3	Low	72	Confident	25 Å²	25	41.2 Å²	41.2	18%	0.175	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-23	174.4	75.4	0	0	0	0	112.7	R40 D212	R40-S214 PolarHBondContact NE-O 3.36Å; R40-S214 PolarHBondContact NH2-O 2.83Å; R40-S214 VanDerWaalsContact NH2-O 3.1Å; R40-S214 PolarHBondContact NH2-OG 3.44Å; D212-S214 VanDerWaalsContact CG-OG 3.24Å; D212-S214 PolarHBondContact O-N 2.8Å; D212-S214 WeakPolarHBondContact OD1-CA 3.23Å; D212-S214 VanDerWaalsContact OD1-CB 3.25Å; D212-S214 WeakPolarHBondContact OD1-CB 3.27Å; D212-S214 PolarHBondContact OD1-N 2.95Å; D212-S214 PolarHBondContact OD1-OG 3.04Å; D212-S214 PolarHBondContact OD2-OG 3.1Å
215	L	65.1	Low	70.7	Confident	58 Å²	58	46.9 Å²	46.9	30%	0.304	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-28.5	169.4	-70.2	177.6	0	0	0	111.8	D212 P217 K464	D212-L215 PolarHBondContact O-N 3.14Å; D212-L215 VanDerWaalsContact O-N 3.14Å; L215-P217 WeakPolarHBondContact O-CD 3.4Å; L215-K464 HydrophobicContact CD1-CD 3.66Å; L215-K464 HydrophobicContact CD1-CG 3.93Å; L215-K464 HydrophobicContact CG-CD 4.5Å
216	H	66.3	Low	69.5	Low	65 Å²	65	48 Å²	48	30%	0.301	24%	0.239	S	C	.	.			trans	-109.7	75.4	177.1	-64.1	-84.1	0	0	0	110.5	D212 L213 D218 G219 D220 F221	D212-H216 PolarHBondContact O-CD2 2.74Å; D212-H216 PolarHBondContact O-N 3.27Å; L213-H216 CarbonylContact O-C 3.5Å; H216-D218 PolarHBondContact O-N 2.58Å; H216-D218 VanDerWaalsContact O-N 3.12Å; H216-G219 PolarHBondContact O-N 2.72Å; H216-D220 PolarHBondContact ND1-O 2.93Å; H216-D220 VanDerWaalsContact ND1-O 3.12Å; H216-F221 HydrophobicContact CB-CD1 4.21Å; H216-F221 HydrophobicContact CB-CE1 4Å; H216-F221 AromaticContact CG-CD1 3.99Å
217	P	56.3	Low	68	Low	32 Å²	32	54.7 Å²	54.7	21%	0.208	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.6	-175.4	4.8	-18.5	0	0	0	114.6	K167 L215 G219	K167-P217 PolarHBondContact NZ-O 2.79Å; L215-P217 WeakPolarHBondContact O-CD 3.4Å; P217-G219 VanDerWaalsContact C-N 3.31Å
218	D	60	Low	67.1	Low	119 Å²	119	60.1 Å²	60.1	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.6	-177.3	-56.8	-47.7	0	0	0	112.9	H216 D220	H216-D218 PolarHBondContact O-N 2.58Å; H216-D218 VanDerWaalsContact O-N 3.12Å; D218-D220 PolarHBondContact O-N 2.98Å
219	G	57	Low	66.6	Low	1 Å²	1	61 Å²	61	1%	0.01	31%	0.305	C	S	.	.			trans	75.6	8.6	-176.5	0	0	0	0	0	114.4	N174 H216 P217 F221	N174-G219 PolarHBondContact ND2-O 3.13Å; H216-G219 PolarHBondContact O-N 2.72Å; P217-G219 VanDerWaalsContact C-N 3.31Å; G219-F221 WeakPolarHBondContact O-CD2 3.45Å; G219-F221 WeakPolarHBondContact O-CE2 3.42Å
220	D	60.1	Low	66.4	Low	114 Å²	114	63.1 Å²	63.1	61%	0.61	32%	0.32	S	S	*	.			trans	-85.3	118.5	175.5	-71.3	-27.2	0	0	0	110.5	H216 D218	H216-D220 PolarHBondContact ND1-O 2.93Å; H216-D220 VanDerWaalsContact ND1-O 3.12Å; D218-D220 PolarHBondContact O-N 2.98Å
221	F	60.9	Low	66.5	Low	31 Å²	31	65.6 Å²	65.6	14%	0.136	33%	0.334	C	S	.	.			trans	-108	152.3	176.6	-50.3	-71.3	0	0	0	110.1	N174 F211 L213 H216 G219 Q223	N174-F221 HydrophobicContact CB-CD2 4.18Å; N174-F221 HydrophobicContact CB-CE2 4.29Å; F211-F221 HydrophobicContact CB-CD1 4.1Å; F211-F221 HydrophobicContact CB-CE1 3.84Å; F211-F221 HydrophobicContact CB-CZ 4.05Å; F211-F221 HydrophobicContact CD1-CB 3.83Å; F211-F221 AromaticContact CD1-CD1 3.8Å; F211-F221 HydrophobicContact CD1-CD1 3.8Å; F211-F221 AromaticContact CD1-CD2 3.7Å; F211-F221 HydrophobicContact CD1-CD2 3.7Å; F211-F221 HydrophobicContact CD1-CE1 4.25Å; F211-F221 HydrophobicContact CD1-CE2 4.13Å; F211-F221 AromaticContact CD1-CG 3.49Å; F211-F221 HydrophobicContact CD1-CG 3.49Å; F211-F221 VanDerWaalsContact CD1-CG 3.49Å; F211-F221 HydrophobicContact CD1-CZ 4.38Å; F211-F221 HydrophobicContact CE1-CB 3.95Å; F211-F221 HydrophobicContact CE1-CD2 4.35Å; F211-F221 HydrophobicContact CE1-CG 4.11Å; F211-F221 HydrophobicContact CG-CD1 4.34Å; F211-F221 HydrophobicContact CG-CG 4.44Å; F211-F221 WeakPolarHBondContact O-CE1 3.45Å; F211-F221 VanDerWaalsContact O-CZ 3.31Å; F211-F221 WeakPolarHBondContact O-CZ 3.39Å; L213-F221 HydrophobicContact CD2-CE1 4.31Å; L213-F221 HydrophobicContact CD2-CE2 4.41Å; L213-F221 HydrophobicContact CD2-CZ 3.58Å; L213-F221 HydrophobicContact CG-CZ 4.26Å; H216-F221 HydrophobicContact CB-CD1 4.21Å; H216-F221 HydrophobicContact CB-CE1 4Å; H216-F221 AromaticContact CG-CD1 3.99Å; G219-F221 WeakPolarHBondContact O-CD2 3.45Å; G219-F221 WeakPolarHBondContact O-CE2 3.42Å; F221-Q223 PolarHBondContact O-N 2.76Å
222	Q	58.4	Low	67.1	Low	175 Å²	175	65 Å²	65	82%	0.818	33%	0.332	S	S	*	.			trans	-62	123.7	159	-72.8	-172.6	-3.7	0	0	107.4	I224	Q222-I224 PolarHBondContact O-N 3.23Å
223	Q	56.3	Low	68	Low	150 Å²	150	66.3 Å²	66.3	70%	0.701	34%	0.338	S	S	*	.			trans	-64.7	105.1	177.5	-70	-167.7	-4.8	0	0	108.8	P177 F221 E225	P177-Q223 HydrophobicContact CG-CG 4.49Å; F221-Q223 PolarHBondContact O-N 2.76Å; Q223-E225 PolarHBondContact O-N 2.81Å
224	I	64.5	Low	69	Low	20 Å²	20	71.9 Å²	71.9	10%	0.103	36%	0.362	C	S	.	.			trans	-89	99.2	171.6	-62.4	167.8	0	0	0	106.9	F178 E210 F211 Q222 F226 R235	F178-I224 WeakPolarHBondContact CA-O 3.41Å; F178-I224 WeakPolarHBondContact CB-O 3.38Å; F178-I224 HydrophobicContact CD2-CG2 4.38Å; F178-I224 PolarHBondContact N-O 3.38Å; E210-I224 WeakPolarHBondContact OE2-CD1 3.36Å; F211-I224 HydrophobicContact CE2-CD1 4.24Å; F211-I224 HydrophobicContact CZ-CB 4.18Å; F211-I224 HydrophobicContact CZ-CD1 4.11Å; F211-I224 HydrophobicContact CZ-CG1 4.45Å; Q222-I224 PolarHBondContact O-N 3.23Å; I224-F226 HydrophobicContact CG2-CD1 4.24Å; I224-R235 VanDerWaalsContact CG2-NH1 3.29Å
225	E	67.7	Low	69.9	Low	120 Å²	120	75.2 Å²	75.2	56%	0.561	37%	0.371	S	S	*	.			trans	-106.5	144.1	162.4	-172.9	168.1	-159.8	0	0	108	P177 Q223	P177-E225 HydrophobicContact CB-CB 4.25Å; Q223-E225 PolarHBondContact O-N 2.81Å
226	F	71.2	Confident	71	Confident	22 Å²	22	72.5 Å²	72.5	10%	0.096	36%	0.357	C	S	.	.			trans	-138.5	133.9	172.3	53.1	-92.2	0	0	0	109.9	F178 S181 V182 F200 I224 F232	F178-F226 HydrophobicContact CD2-CE1 4.04Å; F178-F226 HydrophobicContact CE2-CE1 4.18Å; S181-F226 PolarHBondContact OG-O 2.77Å; V182-F226 HydrophobicContact CG2-CE1 4.49Å; V182-F226 HydrophobicContact CG2-CZ 4.04Å; F200-F226 AromaticContact CE2-CE2 3.54Å; F200-F226 HydrophobicContact CE2-CE2 3.54Å; F200-F226 AromaticContact CE2-CZ 3.76Å; F200-F226 HydrophobicContact CE2-CZ 3.76Å; F200-F226 AromaticContact CZ-CE2 3.67Å; F200-F226 HydrophobicContact CZ-CE2 3.67Å; F200-F226 AromaticContact CZ-CZ 3.7Å; F200-F226 HydrophobicContact CZ-CZ 3.7Å; I224-F226 HydrophobicContact CG2-CD1 4.24Å; F226-F232 HydrophobicContact CB-CB 4.39Å; F226-F232 HydrophobicContact CD1-CB 4.36Å; F226-F232 AromaticContact CD1-CD2 3.81Å; F226-F232 HydrophobicContact CD1-CD2 3.81Å; F226-F232 HydrophobicContact CD1-CG 4.32Å; F226-F232 HydrophobicContact CD2-CB 4.09Å; F226-F232 AromaticContact CE1-CD2 3.88Å; F226-F232 HydrophobicContact CE1-CD2 3.88Å; F226-F232 HydrophobicContact CE1-CE2 4.27Å; F226-F232 HydrophobicContact CE1-CG 4.34Å; F226-F232 HydrophobicContact CE2-CB 4.48Å; F226-F232 HydrophobicContact CG-CB 4.03Å; F226-F232 HydrophobicContact CG-CD2 4.33Å; F226-F232 HydrophobicContact CG-CG 4.46Å; F226-F232 HydrophobicContact CZ-CD2 4.45Å
227	D	65.3	Low	72	Confident	141 Å²	141	75.1 Å²	75.1	75%	0.754	37%	0.369	S	S	*	.	S	Bend	trans	-84.2	-27.2	-179.8	-66	-33	0	0	0	112.2
228	Q	74	Confident	73.4	Confident	116 Å²	116	81.7 Å²	81.7	54%	0.542	39%	0.394	S	S	.	.			trans	-135.3	136.3	-173.9	-61.4	-62.9	-41.9	0	0	111.7	S230 D231 F232	Q228-S230 PolarHBondContact O-N 2.81Å; Q228-D231 PolarHBondContact O-N 3.17Å; Q228-F232 PolarHBondContact O-N 2.93Å
229	I	80.8	Confident	75	Confident	20 Å²	20	78 Å²	78	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-57	-38	175.2	-71.4	170.8	0	0	0	111.5	C185 L192 Q196 F200 D231 F232 I233	C185-I229 HydrophobicContact CB-CD1 4.27Å; L192-I229 HydrophobicContact CD1-CD1 3.54Å; L192-I229 HydrophobicContact CD2-CD1 3.47Å; L192-I229 VanDerWaalsContact CD2-CD1 3.47Å; L192-I229 HydrophobicContact CG-CD1 4.17Å; Q196-I229 HydrophobicContact CG-CG2 4.12Å; F200-I229 HydrophobicContact CB-CG2 3.97Å; F200-I229 HydrophobicContact CD2-CB 4.19Å; F200-I229 HydrophobicContact CD2-CG1 3.86Å; F200-I229 HydrophobicContact CD2-CG2 3.71Å; F200-I229 HydrophobicContact CE2-CG1 3.97Å; F200-I229 HydrophobicContact CG-CD1 4.44Å; F200-I229 HydrophobicContact CG-CG1 4.24Å; F200-I229 HydrophobicContact CG-CG2 4.03Å; F200-I229 HydrophobicContact CZ-CG1 4.45Å; I229-D231 VanDerWaalsContact C-N 3.26Å; I229-D231 PolarHBondContact O-N 3.12Å; I229-F232 PolarHBondContact O-N 3.16Å; I229-I233 HydrophobicContact CG2-CG1 4.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.79Å
230	S	82.6	Confident	76.8	Confident	46 Å²	46	78.7 Å²	78.7	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-35.5	-179	55	0	0	0	0	112.8	Q228 K234	Q228-S230 PolarHBondContact O-N 2.81Å; S230-K234 WeakPolarHBondContact O-CB 3.43Å; S230-K234 WeakPolarHBondContact O-CG 3.36Å; S230-K234 PolarHBondContact O-N 3.03Å
231	D	81.6	Confident	78.5	Confident	89 Å²	89	73.8 Å²	73.8	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-78.1	-37.5	-175.7	-61.6	-14.2	0	0	0	110.3	Q228 I229 R235	Q228-D231 PolarHBondContact O-N 3.17Å; I229-D231 VanDerWaalsContact C-N 3.26Å; I229-D231 PolarHBondContact O-N 3.12Å; D231-R235 WeakPolarHBondContact O-CB 3.34Å; D231-R235 PolarHBondContact O-N 2.92Å
232	F	85	Confident	80.2	Confident	3 Å²	3	73.1 Å²	73.1	1%	0.013	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-51.4	169.8	179	-103.6	0	0	0	111.4	F200 N203 A204 W207 F226 Q228 I229 R235 V236	F200-F232 AromaticContact CD2-CD1 3.79Å; F200-F232 HydrophobicContact CD2-CD1 3.79Å; F200-F232 HydrophobicContact CD2-CE1 4.32Å; F200-F232 AromaticContact CE2-CD1 3.78Å; F200-F232 HydrophobicContact CE2-CD1 3.78Å; F200-F232 HydrophobicContact CE2-CE1 4.29Å; F200-F232 HydrophobicContact CE2-CG 4.32Å; N203-F232 HydrophobicContact CB-CE1 3.89Å; A204-F232 HydrophobicContact CB-CE1 4.39Å; W207-F232 HydrophobicContact CB-CZ 4.41Å; F226-F232 HydrophobicContact CB-CB 4.39Å; F226-F232 HydrophobicContact CD1-CB 4.36Å; F226-F232 AromaticContact CD1-CD2 3.81Å; F226-F232 HydrophobicContact CD1-CD2 3.81Å; F226-F232 HydrophobicContact CD1-CG 4.32Å; F226-F232 HydrophobicContact CD2-CB 4.09Å; F226-F232 AromaticContact CE1-CD2 3.88Å; F226-F232 HydrophobicContact CE1-CD2 3.88Å; F226-F232 HydrophobicContact CE1-CE2 4.27Å; F226-F232 HydrophobicContact CE1-CG 4.34Å; F226-F232 HydrophobicContact CE2-CB 4.48Å; F226-F232 HydrophobicContact CG-CB 4.03Å; F226-F232 HydrophobicContact CG-CD2 4.33Å; F226-F232 HydrophobicContact CG-CG 4.46Å; F226-F232 HydrophobicContact CZ-CD2 4.45Å; Q228-F232 PolarHBondContact O-N 2.93Å; I229-F232 PolarHBondContact O-N 3.16Å; F232-R235 WeakPolarHBondContact O-CB 3.44Å; F232-R235 PolarHBondContact O-N 2.88Å; F232-V236 HydrophobicContact CD2-CG1 4.43Å; F232-V236 HydrophobicContact CE2-CG1 4.04Å; F232-V236 HydrophobicContact CZ-CG1 4.08Å; F232-V236 WeakPolarHBondContact O-CG2 3.09Å; F232-V236 PolarHBondContact O-N 2.64Å; F232-V236 VanDerWaalsContact O-N 3.13Å
233	I	85.8	Confident	82	Confident	36 Å²	36	68.5 Å²	68.5	19%	0.185	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-48.8	179.8	-68.3	-60.2	0	0	0	111.9	N199 N203 I229 R235 V236 E237	N199-I233 HydrophobicContact CB-CD1 4.39Å; N203-I233 HydrophobicContact CB-CD1 4.17Å; I229-I233 HydrophobicContact CG2-CG1 4.31Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.79Å; I233-R235 PolarHBondContact O-N 2.92Å; I233-V236 WeakPolarHBondContact O-CG2 3.36Å; I233-V236 PolarHBondContact O-N 2.85Å; I233-E237 WeakPolarHBondContact O-CB 3.27Å; I233-E237 PolarHBondContact O-N 3.2Å
234	K	86.3	Confident	83.9	Confident	127 Å²	127	62.4 Å²	62.4	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-34.5	179.5	-75.6	171.5	-175.7	172	0	112.9	S230	S230-K234 WeakPolarHBondContact O-CB 3.43Å; S230-K234 WeakPolarHBondContact O-CG 3.36Å; S230-K234 PolarHBondContact O-N 3.03Å
235	R	83.4	Confident	85.5	Confident	95 Å²	95	61.5 Å²	61.5	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-65.2	-52	177.1	-175.9	-174.5	74.9	166.1	10.7	110.3	I224 D231 F232 I233	I224-R235 VanDerWaalsContact CG2-NH1 3.29Å; D231-R235 WeakPolarHBondContact O-CB 3.34Å; D231-R235 PolarHBondContact O-N 2.92Å; F232-R235 WeakPolarHBondContact O-CB 3.44Å; F232-R235 PolarHBondContact O-N 2.88Å; I233-R235 PolarHBondContact O-N 2.92Å
236	V	86.7	Confident	86.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-76.6	-27.8	-172.1	-60.4	0	0	0	0	113.6	N203 W207 F232 I233 K238 Q239 L240	N203-V236 HydrophobicContact CB-CG2 4.02Å; N203-V236 WeakPolarHBondContact OD1-CG2 3.5Å; W207-V236 HydrophobicContact CB-CG1 4.47Å; W207-V236 HydrophobicContact CD2-CB 4.37Å; W207-V236 HydrophobicContact CD2-CG1 4.17Å; W207-V236 HydrophobicContact CG-CB 4.26Å; W207-V236 HydrophobicContact CG-CG1 3.82Å; W207-V236 HydrophobicContact CZ2-CB 4.38Å; F232-V236 HydrophobicContact CD2-CG1 4.43Å; F232-V236 HydrophobicContact CE2-CG1 4.04Å; F232-V236 HydrophobicContact CZ-CG1 4.08Å; F232-V236 WeakPolarHBondContact O-CG2 3.09Å; F232-V236 PolarHBondContact O-N 2.64Å; F232-V236 VanDerWaalsContact O-N 3.13Å; I233-V236 WeakPolarHBondContact O-CG2 3.36Å; I233-V236 PolarHBondContact O-N 2.85Å; V236-K238 PolarHBondContact O-N 3.01Å; V236-Q239 PolarHBondContact O-N 3.26Å; V236-L240 PolarHBondContact O-N 2.84Å
237	E	88	Confident	87.9	Confident	120 Å²	120	59.1 Å²	59.1	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-57	-38.1	178.2	-175.3	175.9	-161.1	0	0	112.2	I233 Q239 L240	I233-E237 WeakPolarHBondContact O-CB 3.27Å; I233-E237 PolarHBondContact O-N 3.2Å; E237-Q239 VanDerWaalsContact C-N 3.26Å; E237-Q239 PolarHBondContact O-N 3.31Å; E237-L240 PolarHBondContact O-N 3.46Å
238	K	86.7	Confident	89.4	Confident	170 Å²	170	52.4 Å²	52.4	74%	0.739	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.7	177.3	-65	-178.1	179.4	-178.2	0	113.8	V236 R475	V236-K238 PolarHBondContact O-N 3.01Å; K238-R475 PolarHBondContact O-NH2 2.85Å
239	Q	92	Very high	90.4	Very high	42 Å²	42	48.2 Å²	48.2	20%	0.196	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.6	-177.2	-61.8	177.1	-92.5	0	0	112.1	W207 V236 E237 V241 K491 Y492 G493	W207-Q239 HydrophobicContact CH2-CB 3.33Å; W207-Q239 HydrophobicContact CH2-CG 4.43Å; W207-Q239 HydrophobicContact CZ2-CB 3.68Å; W207-Q239 HydrophobicContact CZ3-CB 4.2Å; V236-Q239 PolarHBondContact O-N 3.26Å; E237-Q239 VanDerWaalsContact C-N 3.26Å; E237-Q239 PolarHBondContact O-N 3.31Å; Q239-V241 PolarHBondContact O-N 3.35Å; Q239-K491 WeakPolarHBondContact CB-O 3.02Å; Q239-K491 PolarHBondContact NE2-O 3.39Å; Q239-Y492 VanDerWaalsContact O-CA 3.28Å; Q239-Y492 WeakPolarHBondContact O-CA 3.22Å; Q239-G493 PolarHBondContact O-N 3.26Å
240	L	95.1	Very high	91.1	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.073	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.5	172.5	-70.5	171.7	0	0	0	110.2	L206 W207 V236 E237 N243 G493 I495	L206-L240 HydrophobicContact CD2-CD2 3.53Å; W207-L240 HydrophobicContact CZ2-CD2 3.95Å; W207-L240 HydrophobicContact CZ2-CG 4.22Å; V236-L240 PolarHBondContact O-N 2.84Å; E237-L240 PolarHBondContact O-N 3.46Å; L240-N243 HydrophobicContact CB-CB 4.4Å; L240-N243 HydrophobicContact CD1-CB 4.05Å; L240-G493 WeakPolarHBondContact CA-O 3.48Å; L240-I495 HydrophobicContact CD1-CD1 4.17Å; L240-I495 HydrophobicContact CD2-CD1 4.18Å; L240-I495 HydrophobicContact CD2-CG1 4.04Å
241	V	96.2	Very high	91.7	Very high	12 Å²	12	52.7 Å²	52.7	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-38.9	175.9	178.6	0	0	0	0	110	Q239 V471 L479 W486 Y492 G493 F494	Q239-V241 PolarHBondContact O-N 3.35Å; V241-V471 HydrophobicContact CG1-CB 4.17Å; V241-V471 HydrophobicContact CG1-CG1 3.47Å; V241-V471 VanDerWaalsContact CG1-CG1 3.47Å; V241-V471 HydrophobicContact CG1-CG2 3.66Å; V241-L479 HydrophobicContact CB-CD1 4.38Å; V241-L479 HydrophobicContact CG1-CD1 3.73Å; V241-L479 HydrophobicContact CG2-CD1 3.81Å; V241-W486 HydrophobicContact CB-CZ3 4.49Å; V241-W486 HydrophobicContact CG1-CH2 4.34Å; V241-W486 HydrophobicContact CG1-CZ3 3.94Å; V241-W486 HydrophobicContact CG2-CE3 4.18Å; V241-W486 HydrophobicContact CG2-CZ3 4.07Å; V241-Y492 HydrophobicContact CG2-CD1 3.89Å; V241-Y492 HydrophobicContact CG2-CG 4.1Å; V241-G493 PolarHBondContact N-O 3.35Å; V241-F494 HydrophobicContact CB-CE1 4.24Å; V241-F494 HydrophobicContact CB-CE2 4.3Å; V241-F494 HydrophobicContact CB-CZ 4.07Å; V241-F494 HydrophobicContact CG1-CE1 4.04Å; V241-F494 HydrophobicContact CG1-CZ 3.91Å
242	V	96.5	Very high	92.3	Very high	17 Å²	17	48.6 Å²	48.6	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.7	171.5	-175	0	0	0	0	108.3	G470 V471 F494 I495 Q496	V242-G470 VanDerWaalsContact CG2-O 3.27Å; V242-G470 WeakPolarHBondContact CG2-O 3.4Å; V242-V471 HydrophobicContact CG2-CG2 4.3Å; V242-F494 HydrophobicContact CB-CD1 3.86Å; V242-F494 HydrophobicContact CB-CE1 4.41Å; V242-F494 HydrophobicContact CG2-CD1 3.71Å; V242-F494 HydrophobicContact CG2-CE1 3.75Å; V242-I495 PolarHBondContact O-N 3.16Å; V242-Q496 HydrophobicContact CB-CG 3.78Å; V242-Q496 HydrophobicContact CG1-CG 3.56Å; V242-Q496 HydrophobicContact CG2-CG 4.49Å
243	N	96.5	Very high	92.6	Very high	77 Å²	77	54.5 Å²	54.5	41%	0.412	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	90	-176.7	-174	10.2	0	0	0	112.1	L240 G245	L240-N243 HydrophobicContact CB-CB 4.4Å; L240-N243 HydrophobicContact CD1-CB 4.05Å; N243-G245 PolarHBondContact O-N 3.44Å; N243-G245 WeakPolarHBondContact OD1-CA 3.28Å; N243-G245 PolarHBondContact OD1-N 2.88Å
244	D	97.1	Very high	92.8	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.123	25%	0.25	C	S	.	.			trans	-87.4	15	170	-66.4	-33.4	0	0	0	112.5	D246 A247 L248 P447 I495 Q496 I497	D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact O-N 3.41Å; D244-A247 WeakPolarHBondContact O-CB 3.47Å; D244-A247 PolarHBondContact O-N 3.09Å; D244-A247 VanDerWaalsContact O-N 3.08Å; D244-L248 PolarHBondContact O-N 3.45Å; D244-P447 HydrophobicContact CB-CG 4.46Å; D244-I495 PolarHBondContact N-O 3.23Å; D244-Q496 WeakPolarHBondContact OD2-CA 3.47Å; D244-I497 HydrophobicContact CB-CB 4.4Å; D244-I497 HydrophobicContact CB-CD1 4.04Å; D244-I497 HydrophobicContact CB-CG1 3.89Å; D244-I497 PolarHBondContact OD2-N 3.12Å
245	G	96.2	Very high	93.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-56.2	-43.4	-176	0	0	0	0	0	113.4	N243 A247 L248 H249	N243-G245 PolarHBondContact O-N 3.44Å; N243-G245 WeakPolarHBondContact OD1-CA 3.28Å; N243-G245 PolarHBondContact OD1-N 2.88Å; G245-A247 VanDerWaalsContact C-N 3.35Å; G245-A247 PolarHBondContact O-N 3.23Å; G245-L248 PolarHBondContact O-N 3.23Å; G245-H249 WeakPolarHBondContact O-CB 3.11Å; G245-H249 PolarHBondContact O-N 3.43Å
246	D	94.8	Very high	93.4	Very high	83 Å²	83	46.8 Å²	46.8	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-39.1	176.6	-70.6	-8.8	0	0	0	112.1	D244 L248 H249 R250	D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact O-N 3.41Å; D246-L248 VanDerWaalsContact C-N 3.34Å; D246-H249 PolarHBondContact O-N 2.99Å; D246-R250 WeakPolarHBondContact O-CB 3.21Å; D246-R250 VanDerWaalsContact O-CG 3.32Å; D246-R250 WeakPolarHBondContact O-CG 3.25Å; D246-R250 PolarHBondContact O-N 3.09Å
247	A	95.4	Very high	93.5	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	25%	0.247	C	C	.	.	H	α-helix	trans	-66.2	-40.1	176.8	0	0	0	0	0	110.9	D244 G245 R250 F251 P447 T449 I497	D244-A247 WeakPolarHBondContact O-CB 3.47Å; D244-A247 PolarHBondContact O-N 3.09Å; D244-A247 VanDerWaalsContact O-N 3.08Å; G245-A247 VanDerWaalsContact C-N 3.35Å; G245-A247 PolarHBondContact O-N 3.23Å; A247-R250 PolarHBondContact O-N 2.71Å; A247-F251 PolarHBondContact O-N 2.87Å; A247-P447 HydrophobicContact CB-CB 4.4Å; A247-P447 HydrophobicContact CB-CG 4.49Å; A247-T449 HydrophobicContact CB-CG2 3.94Å; A247-T449 VanDerWaalsContact O-CG2 3.27Å; A247-T449 WeakPolarHBondContact O-CG2 3.25Å; A247-I497 HydrophobicContact CB-CD1 3.74Å
248	L	96.9	Very high	93.5	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-44	175.2	-177.1	58	0	0	0	111.9	F198 L202 D244 G245 D246 R250 F251 C252 L392 M456 V458 I497	F198-L248 HydrophobicContact CZ-CB 4.26Å; F198-L248 HydrophobicContact CZ-CD2 4Å; F198-L248 HydrophobicContact CZ-CG 3.85Å; L202-L248 HydrophobicContact CD1-CD2 4.12Å; L202-L248 HydrophobicContact CD2-CD2 4.28Å; D244-L248 PolarHBondContact O-N 3.45Å; G245-L248 PolarHBondContact O-N 3.23Å; D246-L248 VanDerWaalsContact C-N 3.34Å; L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 3.5Å; L248-F251 HydrophobicContact CD1-CD1 4.27Å; L248-F251 WeakPolarHBondContact O-CB 3.5Å; L248-F251 PolarHBondContact O-N 3.02Å; L248-C252 PolarHBondContact O-N 3.37Å; L248-C252 PolarHBondContact O-SG 3.39Å; L248-L392 HydrophobicContact CD1-CD1 3.85Å; L248-L392 HydrophobicContact CD1-CD2 4.38Å; L248-M456 HydrophobicContact CD1-SD 3.61Å; L248-V458 HydrophobicContact CD1-CG2 3.72Å; L248-V458 HydrophobicContact CD2-CG1 4.1Å; L248-V458 HydrophobicContact CD2-CG2 4.07Å; L248-V458 HydrophobicContact CG-CG2 4.48Å; L248-I497 HydrophobicContact CB-CD1 4.42Å
249	H	95.7	Very high	93.5	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.125	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-43.7	175.2	-174.5	-128.1	0	0	0	111.4	F198 G245 D246 F251 C252 K253	F198-H249 HydrophobicContact CD1-CB 3.67Å; F198-H249 AromaticContact CD1-CD2 3.75Å; F198-H249 AromaticContact CD1-CG 3.87Å; F198-H249 AromaticContact CD2-CD2 3.86Å; F198-H249 HydrophobicContact CE1-CB 3.57Å; F198-H249 HydrophobicContact CG-CB 4.29Å; F198-H249 AromaticContact CG-CD2 3.49Å; F198-H249 VanDerWaalsContact CG-CD2 3.49Å; F198-H249 WeakPolarHBondContact CG-CD2 3.24Å; F198-H249 HydrophobicContact CZ-CB 4.12Å; G245-H249 WeakPolarHBondContact O-CB 3.11Å; G245-H249 PolarHBondContact O-N 3.43Å; D246-H249 PolarHBondContact O-N 2.99Å; H249-F251 VanDerWaalsContact C-N 3.33Å; H249-F251 PolarHBondContact O-N 3.4Å; H249-C252 PolarHBondContact O-N 3.16Å; H249-K253 PolarHBondContact O-N 2.97Å
250	R	93.9	Very high	93.2	Very high	147 Å²	147	45.5 Å²	45.5	56%	0.555	23%	0.231	S	C	*	.	H	α-helix	trans	-60.3	-40.6	174.2	-77.4	-169	-61.1	-117.4	2.9	112.4	D246 A247 L248 K253 S254	D246-R250 WeakPolarHBondContact O-CB 3.21Å; D246-R250 VanDerWaalsContact O-CG 3.32Å; D246-R250 WeakPolarHBondContact O-CG 3.25Å; D246-R250 PolarHBondContact O-N 3.09Å; A247-R250 PolarHBondContact O-N 2.71Å; L248-R250 VanDerWaalsContact C-N 3.33Å; L248-R250 PolarHBondContact O-N 3.5Å; R250-K253 PolarHBondContact O-N 3.31Å; R250-S254 VanDerWaalsContact O-CB 3.27Å; R250-S254 WeakPolarHBondContact O-CB 3.38Å; R250-S254 PolarHBondContact O-N 3Å; R250-S254 PolarHBondContact O-OG 2.86Å
251	F	95	Very high	92.9	Very high	13 Å²	13	49.3 Å²	49.3	6%	0.057	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-48.7	174	165.8	-99.4	0	0	0	111.7	A247 L248 H249 K253 S254 F255 L268 L392 T449 M456	A247-F251 PolarHBondContact O-N 2.87Å; L248-F251 HydrophobicContact CD1-CD1 4.27Å; L248-F251 WeakPolarHBondContact O-CB 3.5Å; L248-F251 PolarHBondContact O-N 3.02Å; H249-F251 VanDerWaalsContact C-N 3.33Å; H249-F251 PolarHBondContact O-N 3.4Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 2.87Å; F251-S254 PolarHBondContact O-N 2.81Å; F251-S254 PolarHBondContact O-OG 2.99Å; F251-S254 VanDerWaalsContact O-OG 3.09Å; F251-F255 HydrophobicContact CZ-CD2 4.38Å; F251-F255 VanDerWaalsContact O-CB 3.3Å; F251-F255 WeakPolarHBondContact O-CB 3.41Å; F251-F255 PolarHBondContact O-N 3.4Å; F251-L268 HydrophobicContact CE1-CD1 4.28Å; F251-L268 HydrophobicContact CE1-CD2 3.92Å; F251-L268 HydrophobicContact CZ-CD2 4.03Å; F251-L392 HydrophobicContact CE1-CB 4.34Å; F251-T449 WeakPolarHBondContact CD2-O 3.25Å; F251-M456 HydrophobicContact CB-CE 3.63Å; F251-M456 HydrophobicContact CB-SD 3.81Å; F251-M456 HydrophobicContact CD1-CB 4.35Å; F251-M456 HydrophobicContact CD1-CE 3.98Å; F251-M456 HydrophobicContact CD1-SD 3.49Å; F251-M456 WeakPolarHBondContact CD1-SD 3.37Å; F251-M456 HydrophobicContact CD2-CE 3.33Å; F251-M456 HydrophobicContact CD2-SD 4.02Å; F251-M456 HydrophobicContact CE1-CB 3.89Å; F251-M456 HydrophobicContact CE1-CE 4.49Å; F251-M456 HydrophobicContact CE1-SD 4.02Å; F251-M456 HydrophobicContact CE2-CB 4.2Å; F251-M456 HydrophobicContact CE2-CE 3.92Å; F251-M456 HydrophobicContact CE2-SD 4.48Å; F251-M456 HydrophobicContact CG-CE 3.35Å; F251-M456 HydrophobicContact CG-SD 3.48Å; F251-M456 WeakPolarHBondContact CG-SD 3.35Å; F251-M456 HydrophobicContact CZ-CB 3.8Å; F251-M456 HydrophobicContact CZ-CE 4.47Å; F251-M456 HydrophobicContact CZ-SD 4.48Å
252	C	95.1	Very high	92.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-42.6	178.8	-68	0	0	0	0	111.9	L248 H249 S256 L268 I296	L248-C252 PolarHBondContact O-N 3.37Å; L248-C252 PolarHBondContact O-SG 3.39Å; H249-C252 PolarHBondContact O-N 3.16Å; C252-S256 PolarHBondContact O-N 2.81Å; C252-L268 HydrophobicContact CB-CD1 4.22Å; C252-I296 HydrophobicContact CB-CG2 4.21Å
253	K	91	Very high	91.9	Very high	128 Å²	128	60.3 Å²	60.3	56%	0.557	32%	0.319	S	S	*	.	H	α-helix	trans	-67.1	-49.8	177.8	-174	177.2	179.4	179.5	0	112.2	H249 R250 F251 F255 S256 D257	H249-K253 PolarHBondContact O-N 2.97Å; R250-K253 PolarHBondContact O-N 3.31Å; F251-K253 VanDerWaalsContact C-N 3.29Å; F251-K253 PolarHBondContact O-N 2.87Å; K253-F255 VanDerWaalsContact C-N 3.26Å; K253-F255 PolarHBondContact O-N 2.99Å; K253-S256 PolarHBondContact O-N 3.28Å; K253-S256 VanDerWaalsContact O-N 3.17Å; K253-D257 PolarHBondContact O-N 3.48Å
254	S	90.5	Very high	91.4	Very high	32 Å²	32	58.6 Å²	58.6	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-35.7	-178.9	74.5	0	0	0	0	111.8	R250 F251 N258 T449	R250-S254 VanDerWaalsContact O-CB 3.27Å; R250-S254 WeakPolarHBondContact O-CB 3.38Å; R250-S254 PolarHBondContact O-N 3Å; R250-S254 PolarHBondContact O-OG 2.86Å; F251-S254 PolarHBondContact O-N 2.81Å; F251-S254 PolarHBondContact O-OG 2.99Å; F251-S254 VanDerWaalsContact O-OG 3.09Å; S254-N258 WeakPolarHBondContact O-CB 3.29Å; S254-N258 PolarHBondContact O-N 3.23Å; S254-N258 PolarHBondContact O-ND2 3.3Å; S254-T449 PolarHBondContact OG-O 3.35Å
255	F	92.1	Very high	90.8	Very high	24 Å²	24	64.8 Å²	64.8	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-49.7	174.8	-170.1	-84.3	0	0	0	111.3	F251 K253 N258 M259 H266 L268 D391	F251-F255 HydrophobicContact CZ-CD2 4.38Å; F251-F255 VanDerWaalsContact O-CB 3.3Å; F251-F255 WeakPolarHBondContact O-CB 3.41Å; F251-F255 PolarHBondContact O-N 3.4Å; K253-F255 VanDerWaalsContact C-N 3.26Å; K253-F255 PolarHBondContact O-N 2.99Å; F255-N258 PolarHBondContact O-N 2.83Å; F255-M259 HydrophobicContact CD1-CG 4.13Å; F255-M259 HydrophobicContact CE1-CE 4.15Å; F255-M259 HydrophobicContact CE1-CG 3.9Å; F255-M259 HydrophobicContact CE2-CE 3.99Å; F255-M259 HydrophobicContact CZ-CE 3.74Å; F255-M259 HydrophobicContact CZ-CG 4.43Å; F255-M259 WeakPolarHBondContact O-CG 3.28Å; F255-M259 PolarHBondContact O-N 3.21Å; F255-H266 AromaticContact CE1-CD2 3.6Å; F255-H266 AromaticContact CZ-CD2 3.38Å; F255-H266 WeakPolarHBondContact CZ-CD2 3.22Å; F255-H266 AromaticContact CZ-NE2 3.57Å; F255-L268 HydrophobicContact CB-CD2 4.14Å; F255-L268 HydrophobicContact CD1-CD2 3.53Å; F255-L268 HydrophobicContact CD1-CG 3.71Å; F255-L268 HydrophobicContact CD2-CD2 3.61Å; F255-L268 HydrophobicContact CE1-CD2 3.68Å; F255-L268 HydrophobicContact CE1-CG 4Å; F255-L268 HydrophobicContact CE2-CD2 3.75Å; F255-L268 HydrophobicContact CG-CD2 3.48Å; F255-L268 VanDerWaalsContact CG-CD2 3.48Å; F255-L268 HydrophobicContact CG-CG 4.04Å; F255-L268 HydrophobicContact CZ-CD2 3.76Å; F255-D391 HydrophobicContact CE2-CB 4.11Å; F255-D391 HydrophobicContact CZ-CB 4.16Å
256	S	89.5	Confident	90.6	Very high	40 Å²	40	67.2 Å²	67.2	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-48.4	177.3	-169.9	0	0	0	0	111.8	C252 K253 N258 M259 N260	C252-S256 PolarHBondContact O-N 2.81Å; K253-S256 PolarHBondContact O-N 3.28Å; K253-S256 VanDerWaalsContact O-N 3.17Å; S256-N258 PolarHBondContact O-N 2.89Å; S256-M259 PolarHBondContact O-N 3.47Å; S256-N260 WeakPolarHBondContact O-CB 3.4Å; S256-N260 VanDerWaalsContact O-CG 3.25Å; S256-N260 PolarHBondContact O-N 3.18Å; S256-N260 PolarHBondContact O-ND2 2.57Å; S256-N260 VanDerWaalsContact O-ND2 3.14Å
257	D	88.7	Confident	90.6	Very high	85 Å²	85	66.3 Å²	66.3	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-43.6	179.3	-69.3	-20	0	0	0	111.7	K253 N260 S261	K253-D257 PolarHBondContact O-N 3.48Å; D257-N260 PolarHBondContact O-N 3.37Å; D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 3.1Å
258	N	88.2	Confident	90.7	Very high	82 Å²	82	66 Å²	66	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-41.9	178.2	-77.6	-34.5	0	0	0	112.1	S254 F255 S256 S261 R262	S254-N258 WeakPolarHBondContact O-CB 3.29Å; S254-N258 PolarHBondContact O-N 3.23Å; S254-N258 PolarHBondContact O-ND2 3.3Å; F255-N258 PolarHBondContact O-N 2.83Å; S256-N258 PolarHBondContact O-N 2.89Å; N258-S261 PolarHBondContact O-N 3.44Å; N258-S261 PolarHBondContact O-OG 3.45Å; N258-R262 WeakPolarHBondContact O-CG 3.36Å; N258-R262 PolarHBondContact O-N 2.79Å
259	M	87.5	Confident	90.7	Very high	34 Å²	34	68.2 Å²	68.2	17%	0.167	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-43.4	178.4	-68.7	-60.8	167.5	0	0	111.5	F255 S256 S261 R262 G263 S264 H266	F255-M259 HydrophobicContact CD1-CG 4.13Å; F255-M259 HydrophobicContact CE1-CE 4.15Å; F255-M259 HydrophobicContact CE1-CG 3.9Å; F255-M259 HydrophobicContact CE2-CE 3.99Å; F255-M259 HydrophobicContact CZ-CE 3.74Å; F255-M259 HydrophobicContact CZ-CG 4.43Å; F255-M259 WeakPolarHBondContact O-CG 3.28Å; F255-M259 PolarHBondContact O-N 3.21Å; S256-M259 PolarHBondContact O-N 3.47Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.86Å; M259-R262 PolarHBondContact O-N 3.07Å; M259-R262 VanDerWaalsContact O-N 3.13Å; M259-G263 PolarHBondContact O-N 3.15Å; M259-S264 CarbonylContact C-O 3.51Å; M259-S264 PolarHBondContact O-N 2.96Å; M259-H266 VanDerWaalsContact CB-O 3.32Å; M259-H266 WeakPolarHBondContact CB-O 3.44Å; M259-H266 HydrophobicContact CG-CB 4.29Å; M259-H266 VanDerWaalsContact CG-O 3.27Å; M259-H266 WeakPolarHBondContact CG-O 3.46Å; M259-H266 HydrophobicContact SD-CB 3.89Å
260	N	86.1	Confident	90.8	Very high	105 Å²	105	66.9 Å²	66.9	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-58.7	-44	174.1	-70.6	-30.9	0	0	0	111.9	S256 D257 R262 G263	S256-N260 WeakPolarHBondContact O-CB 3.4Å; S256-N260 VanDerWaalsContact O-CG 3.25Å; S256-N260 PolarHBondContact O-N 3.18Å; S256-N260 PolarHBondContact O-ND2 2.57Å; S256-N260 VanDerWaalsContact O-ND2 3.14Å; D257-N260 PolarHBondContact O-N 3.37Å; N260-R262 PolarHBondContact O-N 3.03Å; N260-G263 PolarHBondContact O-N 2.86Å
261	S	87.4	Confident	91.1	Very high	94 Å²	94	59.9 Å²	59.9	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-27.4	178.5	76.3	0	0	0	0	113.7	D257 N258 M259 G263	D257-S261 WeakPolarHBondContact O-CB 3.45Å; D257-S261 PolarHBondContact O-N 3.1Å; N258-S261 PolarHBondContact O-N 3.44Å; N258-S261 PolarHBondContact O-OG 3.45Å; M259-S261 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 2.86Å; S261-G263 VanDerWaalsContact C-N 3.33Å
262	R	86.9	Confident	91.3	Very high	191 Å²	191	59.3 Å²	59.3	72%	0.721	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	0.1	176.6	-69.9	178.6	176.6	-174.3	0.4	113.2	N258 M259 N260 S264	N258-R262 WeakPolarHBondContact O-CG 3.36Å; N258-R262 PolarHBondContact O-N 2.79Å; M259-R262 PolarHBondContact O-N 3.07Å; M259-R262 VanDerWaalsContact O-N 3.13Å; N260-R262 PolarHBondContact O-N 3.03Å; R262-S264 PolarHBondContact O-N 3.05Å
263	G	84.9	Confident	91.4	Very high	69 Å²	69	59.1 Å²	59.1	71%	0.711	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	20.3	-172.3	0	0	0	0	0	113.2	M259 N260 S261	M259-G263 PolarHBondContact O-N 3.15Å; N260-G263 PolarHBondContact O-N 2.86Å; S261-G263 VanDerWaalsContact C-N 3.33Å
264	S	86.6	Confident	91.8	Very high	40 Å²	40	53 Å²	53	28%	0.28	29%	0.292	S	S	.	.			trans	-92.4	133.7	177.8	-177.6	0	0	0	0	109.9	M259 R262 H266	M259-S264 CarbonylContact C-O 3.51Å; M259-S264 PolarHBondContact O-N 2.96Å; R262-S264 PolarHBondContact O-N 3.05Å; S264-H266 PolarHBondContact O-N 2.67Å; S264-H266 WeakPolarHBondContact OG-CB 3.4Å; S264-H266 PolarHBondContact OG-N 3.46Å
265	N	85.3	Confident	92.1	Very high	153 Å²	153	51.9 Å²	51.9	82%	0.818	28%	0.283	S	S	*	.			trans	-84.5	7.6	171.2	-72.5	-15.7	0	0	0	113	K267	N265-K267 PolarHBondContact O-N 3.28Å
266	H	90.4	Very high	92.3	Very high	53 Å²	53	51.1 Å²	51.1	25%	0.245	28%	0.28	C	S	.	.			trans	-62	124.2	178.6	-173.5	79.9	0	0	0	110.5	F255 M259 S264 R269 D391	F255-H266 AromaticContact CE1-CD2 3.6Å; F255-H266 AromaticContact CZ-CD2 3.38Å; F255-H266 WeakPolarHBondContact CZ-CD2 3.22Å; F255-H266 AromaticContact CZ-NE2 3.57Å; M259-H266 VanDerWaalsContact CB-O 3.32Å; M259-H266 WeakPolarHBondContact CB-O 3.44Å; M259-H266 HydrophobicContact CG-CB 4.29Å; M259-H266 VanDerWaalsContact CG-O 3.27Å; M259-H266 WeakPolarHBondContact CG-O 3.46Å; M259-H266 HydrophobicContact SD-CB 3.89Å; S264-H266 PolarHBondContact O-N 2.67Å; S264-H266 WeakPolarHBondContact OG-CB 3.4Å; S264-H266 PolarHBondContact OG-N 3.46Å; H266-R269 PolarHBondContact CE1-NE 2.85Å; H266-D391 IonicContact CE1-OD2 3.49Å; H266-D391 IonicContact NE2-OD1 3.63Å; H266-D391 IonicContact NE2-OD2 3.59Å; H266-D391 PolarHBondContact NE2-OD2 2.94Å
267	K	95.1	Very high	92.6	Very high	64 Å²	64	49.7 Å²	49.7	28%	0.278	27%	0.27	S	S	.	.			trans	-114.5	169.7	176	-74.2	171.9	-178.1	164.7	0	109.3	N265 R269 Q295 I296 E298	N265-K267 PolarHBondContact O-N 3.28Å; K267-R269 PolarHBondContact O-N 2.99Å; K267-Q295 VanDerWaalsContact CD-O 3.27Å; K267-Q295 WeakPolarHBondContact CD-O 3.35Å; K267-Q295 WeakPolarHBondContact CE-O 3.45Å; K267-I296 WeakPolarHBondContact CB-O 3.43Å; K267-E298 HydrophobicContact CB-CB 4.02Å
268	L	96.7	Very high	92.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.2	-179	-74.4	177.1	0	0	0	111.1	F251 C252 F255 V270 I296 A297 E298 D391	F251-L268 HydrophobicContact CE1-CD1 4.28Å; F251-L268 HydrophobicContact CE1-CD2 3.92Å; F251-L268 HydrophobicContact CZ-CD2 4.03Å; C252-L268 HydrophobicContact CB-CD1 4.22Å; F255-L268 HydrophobicContact CB-CD2 4.14Å; F255-L268 HydrophobicContact CD1-CD2 3.53Å; F255-L268 HydrophobicContact CD1-CG 3.71Å; F255-L268 HydrophobicContact CD2-CD2 3.61Å; F255-L268 HydrophobicContact CE1-CD2 3.68Å; F255-L268 HydrophobicContact CE1-CG 4Å; F255-L268 HydrophobicContact CE2-CD2 3.75Å; F255-L268 HydrophobicContact CG-CD2 3.48Å; F255-L268 VanDerWaalsContact CG-CD2 3.48Å; F255-L268 HydrophobicContact CG-CG 4.04Å; F255-L268 HydrophobicContact CZ-CD2 3.76Å; L268-V270 HydrophobicContact CB-CG2 4.08Å; L268-I296 HydrophobicContact CD1-CG2 3.8Å; L268-I296 PolarHBondContact N-O 3.43Å; L268-A297 HydrophobicContact CB-CB 4.43Å; L268-A297 CarbonylContact O-C 3.59Å; L268-A297 WeakPolarHBondContact O-CA 3.35Å; L268-A297 VanDerWaalsContact O-CB 3.28Å; L268-A297 WeakPolarHBondContact O-CB 3.38Å; L268-E298 PolarHBondContact O-N 3.29Å; L268-D391 HydrophobicContact CD2-CB 3.59Å
269	R	97.8	Very high	93	Very high	47 Å²	47	42.2 Å²	42.2	18%	0.177	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	110.7	167.1	-57.2	168.5	-65.4	161.5	10.5	107.8	H266 K267 Y299 R388 D389 C390 D391 L392	H266-R269 PolarHBondContact CE1-NE 2.85Å; K267-R269 PolarHBondContact O-N 2.99Å; R269-Y299 HydrophobicContact CB-CD1 4.43Å; R269-Y299 HydrophobicContact CB-CE1 3.76Å; R269-Y299 HydrophobicContact CB-CE2 4.28Å; R269-Y299 HydrophobicContact CG-CD1 4.08Å; R269-Y299 HydrophobicContact CG-CE1 3.44Å; R269-Y299 VanDerWaalsContact CG-CE1 3.44Å; R269-R388 PolarHBondContact NH1-O 3Å; R269-R388 PolarHBondContact NH2-O 3.22Å; R269-D389 WeakPolarHBondContact CB-O 3.38Å; R269-D389 VanDerWaalsContact CD-O 3.31Å; R269-D389 WeakPolarHBondContact CD-O 3.49Å; R269-D389 PolarHBondContact NE-O 3.32Å; R269-C390 CarbonylContact O-C 3.58Å; R269-C390 WeakPolarHBondContact O-CA 3.45Å; R269-D391 WeakPolarHBondContact CG-OD2 3.48Å; R269-D391 IonicContact CZ-OD1 3.77Å; R269-D391 IonicContact CZ-OD2 3.61Å; R269-D391 PolarHBondContact N-OD2 2.9Å; R269-D391 IonicContact NE-OD1 3.72Å; R269-D391 IonicContact NE-OD2 2.92Å; R269-D391 PolarHBondContact NE-OD2 2.56Å; R269-D391 IonicContact NH2-OD1 3.65Å; R269-D391 PolarHBondContact NH2-OD1 3.03Å; R269-D391 IonicContact NH2-OD2 2.78Å; R269-D391 PolarHBondContact O-N 3.47Å; R269-L392 PolarHBondContact O-N 3.48Å
270	V	98.7	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137	-169.3	-174.4	0	0	0	0	110.2	L268 I272 A297 Y299 V300 S301 L392 I394	L268-V270 HydrophobicContact CB-CG2 4.08Å; V270-I272 HydrophobicContact CG1-CG1 4.25Å; V270-A297 HydrophobicContact CG2-CB 3.93Å; V270-Y299 PolarHBondContact N-O 3.5Å; V270-V300 HydrophobicContact CB-CG1 4.28Å; V270-V300 HydrophobicContact CB-CG2 4.21Å; V270-V300 HydrophobicContact CG1-CG1 4.34Å; V270-V300 CarbonylContact O-C 3.6Å; V270-V300 WeakPolarHBondContact O-CA 3.35Å; V270-S301 PolarHBondContact O-N 3.21Å; V270-S301 PolarHBondContact O-OG 3.27Å; V270-L392 CarbonylContact C-O 2.93Å; V270-L392 WeakPolarHBondContact CA-O 3.5Å; V270-L392 HydrophobicContact CG1-CD2 4.28Å; V270-L392 HydrophobicContact CG1-CG 4.32Å; V270-L392 HydrophobicContact CG2-CB 4.38Å; V270-L392 HydrophobicContact CG2-CD2 4.36Å; V270-I394 HydrophobicContact CG1-CD1 4.4Å
271	A	98.8	Very high	93.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.9	165.5	0	0	0	0	0	110	I273 S301 L386 C390 L392 I393 I394	A271-I273 HydrophobicContact CB-CD1 4.48Å; A271-S301 CarbonylContact C-O 3.51Å; A271-S301 VanDerWaalsContact CA-O 3.29Å; A271-S301 WeakPolarHBondContact CA-O 3.36Å; A271-L386 HydrophobicContact CB-CD2 4.27Å; A271-C390 HydrophobicContact CB-CB 4.45Å; A271-L392 PolarHBondContact N-O 2.99Å; A271-I393 HydrophobicContact CB-CG1 4.25Å; A271-I393 HydrophobicContact CB-CG2 4.39Å; A271-I393 CarbonylContact O-C 3.5Å; A271-I393 WeakPolarHBondContact O-CA 3.47Å; A271-I394 PolarHBondContact O-N 3.19Å
272	I	98.9	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.4	171.6	-56.8	179.6	0	0	0	107.1	V270 L274 A288 V300 S301 F302 H303 I394 K396	V270-I272 HydrophobicContact CG1-CG1 4.25Å; I272-L274 HydrophobicContact CG2-CD2 3.99Å; I272-L274 PolarHBondContact O-N 3.49Å; I272-A288 HydrophobicContact CD1-CB 4.39Å; I272-V300 HydrophobicContact CD1-CG1 3.84Å; I272-V300 HydrophobicContact CG1-CG1 4.04Å; I272-S301 PolarHBondContact N-O 2.77Å; I272-F302 HydrophobicContact CB-CD1 4.31Å; I272-F302 HydrophobicContact CD1-CD1 4.49Å; I272-F302 HydrophobicContact CD1-CE1 4.07Å; I272-F302 WeakPolarHBondContact O-CA 3.41Å; I272-H303 PolarHBondContact O-N 3.42Å; I272-I394 CarbonylContact C-O 3.46Å; I272-I394 WeakPolarHBondContact CA-O 3.27Å; I272-I394 HydrophobicContact CG1-CB 4.49Å; I272-K396 HydrophobicContact CG2-CD 4.44Å; I272-K396 HydrophobicContact CG2-CG 3.8Å
273	I	98.8	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.4	175.1	-45.6	-50.5	0	0	0	107.1	A271 H303 W366 L386 I393 I394 F395 K396 N400	A271-I273 HydrophobicContact CB-CD1 4.48Å; I273-H303 HydrophobicContact CD1-CB 3.5Å; I273-H303 VanDerWaalsContact CD1-CG 3.45Å; I273-W366 HydrophobicContact CD1-CH2 3.84Å; I273-W366 HydrophobicContact CD1-CZ2 3.71Å; I273-W366 HydrophobicContact CG1-CH2 4.14Å; I273-W366 HydrophobicContact CG1-CZ2 4.45Å; I273-W366 HydrophobicContact CG2-CD2 4.35Å; I273-W366 HydrophobicContact CG2-CE3 4.08Å; I273-W366 HydrophobicContact CG2-CH2 4.09Å; I273-W366 HydrophobicContact CG2-CZ2 4.32Å; I273-W366 HydrophobicContact CG2-CZ3 3.97Å; I273-L386 HydrophobicContact CD1-CD2 4.41Å; I273-I393 HydrophobicContact CD1-CG2 4.36Å; I273-I393 HydrophobicContact CG1-CG2 4.02Å; I273-I394 PolarHBondContact N-O 3.24Å; I273-F395 HydrophobicContact CB-CD1 3.61Å; I273-F395 HydrophobicContact CB-CE1 3.95Å; I273-F395 HydrophobicContact CB-CG 4.31Å; I273-F395 HydrophobicContact CG1-CD1 3.59Å; I273-F395 HydrophobicContact CG1-CE1 3.51Å; I273-F395 HydrophobicContact CG1-CG 4.21Å; I273-F395 HydrophobicContact CG1-CZ 4.04Å; I273-F395 HydrophobicContact CG2-CD1 3.85Å; I273-F395 HydrophobicContact CG2-CE1 4.01Å; I273-K396 VanDerWaalsContact O-CB 3.25Å; I273-K396 WeakPolarHBondContact O-CB 3.21Å; I273-K396 WeakPolarHBondContact O-CG 3.33Å; I273-K396 PolarHBondContact O-N 2.93Å; I273-N400 PolarHBondContact O-ND2 2.95Å
274	L	98.7	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.1	C	C	.	.			trans	-73.2	149.9	-167.3	-68	171.7	0	0	0	112.1	I272 L281 D284 F302 H303 K305 V314 F360 N400	I272-L274 HydrophobicContact CG2-CD2 3.99Å; I272-L274 PolarHBondContact O-N 3.49Å; L274-L281 HydrophobicContact CD1-CD1 4.08Å; L274-L281 HydrophobicContact CD2-CD1 4.09Å; L274-D284 HydrophobicContact CD2-CB 4.18Å; L274-D284 WeakPolarHBondContact CD2-OD2 3.26Å; L274-F302 HydrophobicContact CD1-CB 3.9Å; L274-F302 HydrophobicContact CD1-CD1 4.43Å; L274-F302 HydrophobicContact CD2-CD1 4.15Å; L274-F302 HydrophobicContact CG-CB 4.43Å; L274-H303 WeakPolarHBondContact CB-O 3.41Å; L274-H303 PolarHBondContact N-O 3.23Å; L274-K305 PolarHBondContact O-NZ 2.89Å; L274-V314 HydrophobicContact CB-CB 4.12Å; L274-V314 HydrophobicContact CB-CG2 4.16Å; L274-V314 HydrophobicContact CD1-CB 3.88Å; L274-V314 HydrophobicContact CD1-CG1 3.78Å; L274-V314 HydrophobicContact CD1-CG2 4.14Å; L274-F360 HydrophobicContact CD1-CE2 4.21Å; L274-N400 PolarHBondContact O-ND2 3.41Å
275	D	97	Very high	96.1	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.043	9%	0.087	C	C	.	.			trans	-107.3	-106.6	166.4	-160.8	42	0	0	0	107.6	N209 D313 V314 K396 G397	N209-D275 PolarHBondContact ND2-OD2 3.24Å; D275-D313 CarbonylContact O-C 3.59Å; D275-D313 WeakPolarHBondContact O-CA 3.21Å; D275-V314 PolarHBondContact O-N 2.9Å; D275-K396 HydrophobicContact CB-CB 3.94Å; D275-G397 WeakPolarHBondContact OD2-CA 3.33Å
276	N	96.5	Very high	96.7	Very high	7 Å²	7	10 Å²	10	4%	0.037	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-84.7	150.9	-171.1	-54.3	-68.4	0	0	0	115.5	N209 E280 L281 S312 V314	N209-N276 PolarHBondContact ND2-ND2 2.9Å; N209-N276 VanDerWaalsContact ND2-ND2 3.13Å; N276-E280 HydrophobicContact CB-CB 4.35Å; N276-E280 VanDerWaalsContact CB-OE2 3.24Å; N276-E280 WeakPolarHBondContact CB-OE2 3.39Å; N276-E280 PolarHBondContact N-OE2 2.91Å; N276-E280 PolarHBondContact ND2-OE2 2.96Å; N276-L281 PolarHBondContact O-N 3.02Å; N276-S312 CarbonylContact C-O 3.52Å; N276-S312 WeakPolarHBondContact CA-O 3.3Å; N276-S312 WeakPolarHBondContact OD1-CB 3.35Å; N276-S312 PolarHBondContact OD1-OG 3.27Å; N276-V314 VanDerWaalsContact O-CG2 3.28Å; N276-V314 WeakPolarHBondContact O-CG2 3.44Å
277	S	95.8	Very high	97.1	Very high	10 Å²	10	7.5 Å²	7.5	7%	0.07	4%	0.036	C	C	.	.	S	Bend	trans	-76.2	-173	167	62.2	0	0	0	0	111.9	K168 S312	K168-S277 WeakPolarHBondContact CD-OG 3.25Å; K168-S277 WeakPolarHBondContact CG-OG 3.24Å; S277-S312 WeakPolarHBondContact CB-O 3.39Å; S277-S312 PolarHBondContact N-O 2.7Å; S277-S312 PolarHBondContact OG-O 3.17Å
278	G	92	Very high	97.2	Very high	6 Å²	6	4.4 Å²	4.4	6%	0.062	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-133.5	178.9	0	0	0	0	0	112.1	E280 L281 V282	G278-E280 VanDerWaalsContact C-N 3.33Å; G278-E280 PolarHBondContact O-N 3.26Å; G278-L281 PolarHBondContact O-N 3.3Å; G278-V282 PolarHBondContact O-N 3.39Å
279	P	91.9	Very high	97.3	Very high	5 Å²	5	4.6 Å²	4.6	3%	0.032	2%	0.023	C	C	.	.	H	α-helix	trans	-65.6	-30.5	-177.9	26.4	-34.5	0	0	0	113.9	A175 F178 I179 F211 V282 A283	A175-P279 HydrophobicContact CB-CB 3.68Å; A175-P279 HydrophobicContact CB-CG 3.66Å; F178-P279 HydrophobicContact CD1-CB 3.9Å; F178-P279 HydrophobicContact CE1-CB 4.14Å; I179-P279 HydrophobicContact CD1-CB 4.2Å; I179-P279 HydrophobicContact CG1-CB 4.04Å; F211-P279 HydrophobicContact CB-CB 4.4Å; F211-P279 HydrophobicContact CB-CG 3.33Å; F211-P279 HydrophobicContact CD1-CG 4.11Å; F211-P279 HydrophobicContact CD2-CB 4.35Å; F211-P279 HydrophobicContact CD2-CG 4.13Å; F211-P279 HydrophobicContact CG-CB 4.25Å; F211-P279 HydrophobicContact CG-CG 3.61Å; P279-V282 WeakPolarHBondContact O-CB 3.32Å; P279-V282 PolarHBondContact O-N 2.77Å; P279-A283 PolarHBondContact O-N 3.41Å
280	E	95.6	Very high	97.3	Very high	3 Å²	3	2.3 Å²	2.3	1%	0.014	2%	0.015	C	C	.	.	H	α-helix	trans	-63.9	-47.9	176.8	-178.3	168.9	-170.5	0	0	111.2	A208 N209 N276 G278 V282 A283 D284 K396	A208-E280 HydrophobicContact CB-CB 4.13Å; A208-E280 HydrophobicContact CB-CG 4.47Å; N209-E280 PolarHBondContact ND2-OE1 2.69Å; N209-E280 PolarHBondContact ND2-OE2 2.87Å; N276-E280 HydrophobicContact CB-CB 4.35Å; N276-E280 VanDerWaalsContact CB-OE2 3.24Å; N276-E280 WeakPolarHBondContact CB-OE2 3.39Å; N276-E280 PolarHBondContact N-OE2 2.91Å; N276-E280 PolarHBondContact ND2-OE2 2.96Å; G278-E280 VanDerWaalsContact C-N 3.33Å; G278-E280 PolarHBondContact O-N 3.26Å; E280-V282 VanDerWaalsContact C-N 3.27Å; E280-V282 PolarHBondContact O-N 3.26Å; E280-A283 PolarHBondContact O-N 3.15Å; E280-D284 PolarHBondContact O-N 3.25Å; E280-K396 VanDerWaalsContact OE1-CE 3.32Å; E280-K396 WeakPolarHBondContact OE1-CE 3.3Å; E280-K396 IonicContact OE1-NZ 3.06Å
281	L	97.9	Very high	97.3	Very high	1 Å²	1	2.3 Å²	2.3	1%	0.005	2%	0.015	C	C	.	.	H	α-helix	trans	-59.9	-35.9	175.3	179.8	58.7	0	0	0	112.8	L274 N276 G278 L285 V314 F319 L322	L274-L281 HydrophobicContact CD1-CD1 4.08Å; L274-L281 HydrophobicContact CD2-CD1 4.09Å; N276-L281 PolarHBondContact O-N 3.02Å; G278-L281 PolarHBondContact O-N 3.3Å; L281-L285 HydrophobicContact CD1-CD1 4.29Å; L281-L285 HydrophobicContact CD1-CG 4.31Å; L281-L285 HydrophobicContact CG-CD1 4.1Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 WeakPolarHBondContact O-CD1 3.37Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 3.21Å; L281-V314 HydrophobicContact CB-CG2 4.21Å; L281-V314 HydrophobicContact CD1-CG1 4.42Å; L281-V314 HydrophobicContact CD1-CG2 4.28Å; L281-V314 HydrophobicContact CD2-CG1 3.94Å; L281-V314 HydrophobicContact CD2-CG2 4.18Å; L281-V314 HydrophobicContact CG-CG2 4.45Å; L281-F319 HydrophobicContact CD1-CD2 3.8Å; L281-F319 HydrophobicContact CD1-CE2 4.02Å; L281-F319 HydrophobicContact CD2-CD2 4.1Å; L281-L322 HydrophobicContact CB-CD1 4.31Å; L281-L322 HydrophobicContact CD2-CB 4.44Å; L281-L322 HydrophobicContact CD2-CD1 3.88Å; L281-L322 HydrophobicContact CG-CD1 3.98Å
282	V	97.2	Very high	97.2	Very high	4 Å²	4	2.8 Å²	2.8	2%	0.024	2%	0.017	C	C	.	.	H	α-helix	trans	-62.3	-48.1	172.8	174.4	0	0	0	0	110.8	F172 I179 L183 G278 P279 E280 D284 L285 C286 L322 W349	F172-V282 HydrophobicContact CD2-CG2 4.4Å; F172-V282 HydrophobicContact CE2-CG2 3.62Å; F172-V282 HydrophobicContact CZ-CG2 4.46Å; I179-V282 HydrophobicContact CD1-CG2 4.29Å; I179-V282 HydrophobicContact CG1-CB 4.45Å; I179-V282 HydrophobicContact CG1-CG1 4.49Å; I179-V282 HydrophobicContact CG1-CG2 4.25Å; I179-V282 HydrophobicContact CG2-CG1 4.1Å; I179-V282 HydrophobicContact CG2-CG2 4.38Å; L183-V282 HydrophobicContact CD2-CG1 3.99Å; L183-V282 HydrophobicContact CG-CG1 4.28Å; G278-V282 PolarHBondContact O-N 3.39Å; P279-V282 WeakPolarHBondContact O-CB 3.32Å; P279-V282 PolarHBondContact O-N 2.77Å; E280-V282 VanDerWaalsContact C-N 3.27Å; E280-V282 PolarHBondContact O-N 3.26Å; V282-D284 VanDerWaalsContact C-N 3.3Å; V282-D284 PolarHBondContact O-N 3.24Å; V282-L285 PolarHBondContact O-N 2.93Å; V282-C286 PolarHBondContact O-N 3.4Å; V282-C286 PolarHBondContact O-SG 2.94Å; V282-L322 HydrophobicContact CG2-CD1 3.8Å; V282-W349 HydrophobicContact CG1-CH2 4.25Å
283	A	97.1	Very high	97.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-63.3	-38.2	-179	0	0	0	0	0	111.8	F178 A204 A208 P279 E280 C286 L287	F178-A283 HydrophobicContact CE1-CB 4.49Å; A204-A283 WeakPolarHBondContact O-CB 3.46Å; A208-A283 HydrophobicContact CB-CB 3.63Å; P279-A283 PolarHBondContact O-N 3.41Å; E280-A283 PolarHBondContact O-N 3.15Å; A283-C286 WeakPolarHBondContact O-CB 3.42Å; A283-C286 PolarHBondContact O-N 2.9Å; A283-L287 PolarHBondContact O-N 3.49Å
284	D	98.6	Very high	96.8	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.9	-41.3	174.9	-70	-16.2	0	0	0	112.3	S205 L274 E280 V282 C286 L287 A288 K396	S205-D284 WeakPolarHBondContact CB-OD1 3.44Å; S205-D284 PolarHBondContact OG-OD1 2.71Å; L274-D284 HydrophobicContact CD2-CB 4.18Å; L274-D284 WeakPolarHBondContact CD2-OD2 3.26Å; E280-D284 PolarHBondContact O-N 3.25Å; V282-D284 VanDerWaalsContact C-N 3.3Å; V282-D284 PolarHBondContact O-N 3.24Å; D284-C286 VanDerWaalsContact C-N 3.29Å; D284-C286 PolarHBondContact O-N 3.37Å; D284-L287 PolarHBondContact O-N 2.75Å; D284-A288 WeakPolarHBondContact O-CB 3.27Å; D284-A288 PolarHBondContact O-N 2.91Å; D284-K396 VanDerWaalsContact OD1-CE 3.24Å; D284-K396 WeakPolarHBondContact OD1-CE 3.2Å; D284-K396 IonicContact OD1-NZ 3.4Å
285	L	98.8	Very high	96.6	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-35.2	172.2	-73.9	163.6	0	0	0	111.9	L281 V282 A288 E289 F302 F319 L322 W349 F358	L281-L285 HydrophobicContact CD1-CD1 4.29Å; L281-L285 HydrophobicContact CD1-CG 4.31Å; L281-L285 HydrophobicContact CG-CD1 4.1Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 WeakPolarHBondContact O-CD1 3.37Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.24Å; L281-L285 PolarHBondContact O-N 3.21Å; V282-L285 PolarHBondContact O-N 2.93Å; L285-A288 PolarHBondContact O-N 3.24Å; L285-E289 WeakPolarHBondContact O-CB 3.43Å; L285-E289 PolarHBondContact O-N 2.97Å; L285-F302 HydrophobicContact CD2-CE1 4.15Å; L285-F302 HydrophobicContact CD2-CE2 4.03Å; L285-F302 HydrophobicContact CD2-CZ 3.63Å; L285-F302 HydrophobicContact CG-CZ 4.46Å; L285-F319 HydrophobicContact CD2-CE2 3.98Å; L285-F319 HydrophobicContact CD2-CZ 3.96Å; L285-L322 HydrophobicContact CD1-CD1 4.42Å; L285-L322 HydrophobicContact CD1-CD2 3.52Å; L285-W349 HydrophobicContact CB-CD2 4.1Å; L285-W349 HydrophobicContact CB-CE3 4.23Å; L285-W349 HydrophobicContact CB-CH2 3.77Å; L285-W349 HydrophobicContact CB-CZ2 3.65Å; L285-W349 HydrophobicContact CB-CZ3 4.08Å; L285-W349 HydrophobicContact CD1-CD2 4.3Å; L285-W349 HydrophobicContact CD1-CE3 3.76Å; L285-W349 HydrophobicContact CD1-CH2 4.26Å; L285-W349 HydrophobicContact CD1-CZ3 3.73Å; L285-W349 HydrophobicContact CD2-CD2 4.43Å; L285-W349 HydrophobicContact CG-CE3 4.44Å; L285-F358 HydrophobicContact CD2-CD2 4.01Å; L285-F358 HydrophobicContact CD2-CE2 3.69Å
286	C	98.3	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.5	-41.8	175	-64.3	0	0	0	0	112.1	V182 L186 F201 V282 A283 D284 A288 E289 Y290	V182-C286 HydrophobicContact CG1-CB 3.91Å; L186-C286 HydrophobicContact CD1-CB 4.44Å; L186-C286 HydrophobicContact CD2-CB 4.07Å; F201-C286 HydrophobicContact CD1-CB 3.86Å; F201-C286 HydrophobicContact CE1-CB 4.03Å; V282-C286 PolarHBondContact O-N 3.4Å; V282-C286 PolarHBondContact O-SG 2.94Å; A283-C286 WeakPolarHBondContact O-CB 3.42Å; A283-C286 PolarHBondContact O-N 2.9Å; D284-C286 VanDerWaalsContact C-N 3.29Å; D284-C286 PolarHBondContact O-N 3.37Å; C286-A288 VanDerWaalsContact C-N 3.35Å; C286-E289 PolarHBondContact O-N 3.39Å; C286-Y290 WeakPolarHBondContact O-CB 3.36Å; C286-Y290 PolarHBondContact O-N 2.71Å
287	L	98.5	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-43.5	173.4	176.6	61.3	0	0	0	111.5	F201 L202 A283 D284 Y290 F291 I394	F201-L287 HydrophobicContact CB-CB 4.35Å; F201-L287 HydrophobicContact CB-CD1 3.9Å; L202-L287 HydrophobicContact CD1-CD2 4.45Å; A283-L287 PolarHBondContact O-N 3.49Å; D284-L287 PolarHBondContact O-N 2.75Å; L287-Y290 HydrophobicContact CD1-CD1 4.29Å; L287-Y290 WeakPolarHBondContact O-CB 3.44Å; L287-Y290 PolarHBondContact O-N 3.07Å; L287-F291 HydrophobicContact CD1-CD2 4.25Å; L287-F291 HydrophobicContact CD1-CE2 3.75Å; L287-F291 HydrophobicContact CD1-CZ 4.21Å; L287-F291 HydrophobicContact CD2-CE2 4.26Å; L287-F291 HydrophobicContact CG-CD2 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.74Å; L287-F291 VanDerWaalsContact O-CD2 3.26Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 3.17Å; L287-I394 HydrophobicContact CD2-CD1 4.35Å
288	A	98.7	Very high	96.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-42.8	175.3	0	0	0	0	0	112.5	I272 D284 L285 C286 Y290 F291 L292 V300 F302 F358	I272-A288 HydrophobicContact CD1-CB 4.39Å; D284-A288 WeakPolarHBondContact O-CB 3.27Å; D284-A288 PolarHBondContact O-N 2.91Å; L285-A288 PolarHBondContact O-N 3.24Å; C286-A288 VanDerWaalsContact C-N 3.35Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 2.8Å; A288-F291 PolarHBondContact O-N 3.36Å; A288-L292 PolarHBondContact O-N 2.88Å; A288-L292 VanDerWaalsContact O-N 3.14Å; A288-V300 HydrophobicContact CB-CB 4.02Å; A288-V300 HydrophobicContact CB-CG1 3.75Å; A288-V300 HydrophobicContact CB-CG2 3.98Å; A288-F302 HydrophobicContact CB-CE1 3.94Å; A288-F302 HydrophobicContact CB-CE2 4.43Å; A288-F302 HydrophobicContact CB-CZ 3.41Å; A288-F302 VanDerWaalsContact CB-CZ 3.41Å; A288-F358 HydrophobicContact CB-CD1 4.46Å; A288-F358 HydrophobicContact CB-CE1 3.53Å; A288-F358 HydrophobicContact CB-CE2 4.45Å; A288-F358 HydrophobicContact CB-CZ 3.53Å
289	E	98.4	Very high	96.9	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-35.3	177.4	-172.8	64.5	-144.4	0	0	111.6	L186 L285 C286 L292 T293 W345 R352 F358	L186-E289 HydrophobicContact CD1-CB 4.2Å; L186-E289 HydrophobicContact CD1-CG 4.22Å; L186-E289 HydrophobicContact CD2-CB 4.16Å; L186-E289 HydrophobicContact CD2-CG 4.11Å; L285-E289 WeakPolarHBondContact O-CB 3.43Å; L285-E289 PolarHBondContact O-N 2.97Å; C286-E289 PolarHBondContact O-N 3.39Å; E289-L292 PolarHBondContact O-N 3.29Å; E289-T293 VanDerWaalsContact O-CB 3.22Å; E289-T293 WeakPolarHBondContact O-CB 3.04Å; E289-T293 PolarHBondContact O-N 3.41Å; E289-T293 PolarHBondContact O-OG1 2.81Å; E289-T293 PolarHBondContact OE1-OG1 2.74Å; E289-T293 VanDerWaalsContact OE1-OG1 3.13Å; E289-W345 HydrophobicContact CG-CE3 4.36Å; E289-W345 HydrophobicContact CG-CH2 4.33Å; E289-W345 HydrophobicContact CG-CZ3 3.65Å; E289-R352 IonicContact OE1-CZ 2.81Å; E289-R352 IonicContact OE1-NE 3.55Å; E289-R352 PolarHBondContact OE1-NE 3.39Å; E289-R352 IonicContact OE1-NH2 3.47Å; E289-R352 PolarHBondContact OE1-NH2 2.84Å; E289-R352 IonicContact OE2-NE 3.81Å; E289-R352 PolarHBondContact OE2-NE 3.32Å; E289-R352 VanDerWaalsContact OE2-NE 3.15Å; E289-F358 HydrophobicContact CB-CZ 4.24Å
290	Y	97.7	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-47.8	170.6	159.5	-92.7	0	0	0	111.6	L189 S194 A197 F198 F201 C286 L287 A288 L292 T293 S294 I296	L189-Y290 HydrophobicContact CD1-CD2 3.71Å; L189-Y290 HydrophobicContact CD1-CE2 4.35Å; L189-Y290 HydrophobicContact CD2-CD2 4.43Å; S194-Y290 PolarHBondContact O-OH 3.18Å; A197-Y290 HydrophobicContact CB-CD2 4Å; A197-Y290 HydrophobicContact CB-CE2 3.62Å; F198-Y290 HydrophobicContact CB-CE1 4.36Å; F198-Y290 WeakPolarHBondContact CB-OH 3.27Å; F198-Y290 AromaticContact CD2-CE1 3.78Å; F198-Y290 HydrophobicContact CD2-CE1 3.78Å; F201-Y290 HydrophobicContact CB-CG 4.48Å; F201-Y290 AromaticContact CD2-CD2 3.82Å; F201-Y290 HydrophobicContact CD2-CD2 3.82Å; F201-Y290 AromaticContact CD2-CG 3.87Å; F201-Y290 HydrophobicContact CD2-CG 3.87Å; F201-Y290 HydrophobicContact CE2-CD2 4.33Å; F201-Y290 HydrophobicContact CG-CG 4.42Å; C286-Y290 WeakPolarHBondContact O-CB 3.36Å; C286-Y290 PolarHBondContact O-N 2.71Å; L287-Y290 HydrophobicContact CD1-CD1 4.29Å; L287-Y290 WeakPolarHBondContact O-CB 3.44Å; L287-Y290 PolarHBondContact O-N 3.07Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 PolarHBondContact O-N 2.8Å; Y290-L292 VanDerWaalsContact C-N 3.33Å; Y290-L292 PolarHBondContact O-N 3.22Å; Y290-T293 PolarHBondContact O-N 2.93Å; Y290-S294 WeakPolarHBondContact CD2-OG 3.35Å; Y290-S294 VanDerWaalsContact CE2-OG 3.23Å; Y290-S294 WeakPolarHBondContact CE2-OG 2.79Å; Y290-S294 WeakPolarHBondContact O-CB 3.5Å; Y290-S294 PolarHBondContact O-N 3.48Å; Y290-S294 PolarHBondContact O-OG 3.46Å; Y290-I296 HydrophobicContact CE1-CD1 3.89Å; Y290-I296 WeakPolarHBondContact OH-CD1 3.43Å
291	F	97.6	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-42.2	179.4	-80	-57.6	0	0	0	112.4	F198 L287 A288 I296 A297 V300 L392 I394	F198-F291 HydrophobicContact CE2-CE1 4.3Å; F198-F291 HydrophobicContact CE2-CZ 4.44Å; L287-F291 HydrophobicContact CD1-CD2 4.25Å; L287-F291 HydrophobicContact CD1-CE2 3.75Å; L287-F291 HydrophobicContact CD1-CZ 4.21Å; L287-F291 HydrophobicContact CD2-CE2 4.26Å; L287-F291 HydrophobicContact CG-CD2 4.15Å; L287-F291 HydrophobicContact CG-CE2 3.74Å; L287-F291 VanDerWaalsContact O-CD2 3.26Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 3.17Å; A288-F291 PolarHBondContact O-N 3.36Å; F291-I296 HydrophobicContact CD1-CB 4.14Å; F291-I296 HydrophobicContact CD1-CD1 4.41Å; F291-I296 HydrophobicContact CD1-CG2 3.76Å; F291-I296 HydrophobicContact CE1-CG2 4.26Å; F291-I296 PolarHBondContact O-N 2.83Å; F291-A297 HydrophobicContact CB-CB 3.79Å; F291-A297 PolarHBondContact O-N 2.82Å; F291-V300 HydrophobicContact CB-CG2 4.46Å; F291-L392 HydrophobicContact CZ-CD2 4.1Å; F291-I394 HydrophobicContact CE2-CD1 4.19Å; F291-I394 HydrophobicContact CZ-CD1 4.47Å
292	L	97.4	Very high	97.4	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.047	9%	0.094	C	C	.	.	H	α-helix	trans	-73.1	-46.8	178.9	-65.9	-176.8	0	0	0	112.4	A288 E289 Y290 S294 Q295 A297 V300 F358	A288-L292 PolarHBondContact O-N 2.88Å; A288-L292 VanDerWaalsContact O-N 3.14Å; E289-L292 PolarHBondContact O-N 3.29Å; Y290-L292 VanDerWaalsContact C-N 3.33Å; Y290-L292 PolarHBondContact O-N 3.22Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.3Å; L292-Q295 PolarHBondContact O-N 3.31Å; L292-Q295 PolarHBondContact O-NE2 2.79Å; L292-Q295 VanDerWaalsContact O-NE2 3.15Å; L292-A297 HydrophobicContact CD2-CB 4.12Å; L292-V300 HydrophobicContact CD2-CG2 4.38Å; L292-V300 HydrophobicContact CG-CG2 4.32Å; L292-F358 HydrophobicContact CD1-CD1 3.56Å; L292-F358 HydrophobicContact CD1-CE1 3.33Å; L292-F358 HydrophobicContact CD1-CZ 4.38Å; L292-F358 HydrophobicContact CG-CE1 4.15Å
293	T	95.8	Very high	97.5	Very high	62 Å²	62	17.9 Å²	17.9	38%	0.38	9%	0.094	S	C	.	.	H	α-helix	trans	-65.7	-39.3	-177	-60.3	0	0	0	0	111.4	L189 E289 Y290 Q295	L189-T293 HydrophobicContact CD2-CG2 3.71Å; E289-T293 VanDerWaalsContact O-CB 3.22Å; E289-T293 WeakPolarHBondContact O-CB 3.04Å; E289-T293 PolarHBondContact O-N 3.41Å; E289-T293 PolarHBondContact O-OG1 2.81Å; E289-T293 PolarHBondContact OE1-OG1 2.74Å; E289-T293 VanDerWaalsContact OE1-OG1 3.13Å; Y290-T293 PolarHBondContact O-N 2.93Å; T293-Q295 PolarHBondContact O-N 2.99Å; T293-Q295 VanDerWaalsContact O-N 3.17Å
294	S	94.1	Very high	97.5	Very high	44 Å²	44	17.9 Å²	17.9	31%	0.308	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	3.5	174.8	-51.4	0	0	0	0	113.6	Y290 L292 I296	Y290-S294 WeakPolarHBondContact CD2-OG 3.35Å; Y290-S294 VanDerWaalsContact CE2-OG 3.23Å; Y290-S294 WeakPolarHBondContact CE2-OG 2.79Å; Y290-S294 WeakPolarHBondContact O-CB 3.5Å; Y290-S294 PolarHBondContact O-N 3.48Å; Y290-S294 PolarHBondContact O-OG 3.46Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.3Å; S294-I296 PolarHBondContact O-N 2.9Å
295	Q	93.1	Very high	97.5	Very high	109 Å²	109	17.9 Å²	17.9	51%	0.509	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	25.1	180	-56	-61.5	-52.2	0	0	114	K267 L292 T293	K267-Q295 VanDerWaalsContact CD-O 3.27Å; K267-Q295 WeakPolarHBondContact CD-O 3.35Å; K267-Q295 WeakPolarHBondContact CE-O 3.45Å; L292-Q295 PolarHBondContact O-N 3.31Å; L292-Q295 PolarHBondContact O-NE2 2.79Å; L292-Q295 VanDerWaalsContact O-NE2 3.15Å; T293-Q295 PolarHBondContact O-N 2.99Å; T293-Q295 VanDerWaalsContact O-N 3.17Å
296	I	94.9	Very high	97.5	Very high	24 Å²	24	19.4 Å²	19.4	12%	0.123	11%	0.105	C	C	.	.			trans	-82.9	-40.7	179.2	-65.5	169.7	0	0	0	110.4	C252 K267 L268 Y290 F291 S294	C252-I296 HydrophobicContact CB-CG2 4.21Å; K267-I296 WeakPolarHBondContact CB-O 3.43Å; L268-I296 HydrophobicContact CD1-CG2 3.8Å; L268-I296 PolarHBondContact N-O 3.43Å; Y290-I296 HydrophobicContact CE1-CD1 3.89Å; Y290-I296 WeakPolarHBondContact OH-CD1 3.43Å; F291-I296 HydrophobicContact CD1-CB 4.14Å; F291-I296 HydrophobicContact CD1-CD1 4.41Å; F291-I296 HydrophobicContact CD1-CG2 3.76Å; F291-I296 HydrophobicContact CE1-CG2 4.26Å; F291-I296 PolarHBondContact O-N 2.83Å; S294-I296 PolarHBondContact O-N 2.9Å
297	A	97.2	Very high	97.4	Very high	5 Å²	5	19.8 Å²	19.8	4%	0.041	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.4	-177.9	0	0	0	0	0	112.8	L268 V270 F291 L292 V300	L268-A297 HydrophobicContact CB-CB 4.43Å; L268-A297 CarbonylContact O-C 3.59Å; L268-A297 WeakPolarHBondContact O-CA 3.35Å; L268-A297 VanDerWaalsContact O-CB 3.28Å; L268-A297 WeakPolarHBondContact O-CB 3.38Å; V270-A297 HydrophobicContact CG2-CB 3.93Å; F291-A297 HydrophobicContact CB-CB 3.79Å; F291-A297 PolarHBondContact O-N 2.82Å; L292-A297 HydrophobicContact CD2-CB 4.12Å; A297-V300 HydrophobicContact CB-CG2 4.42Å
298	E	97	Very high	97.4	Very high	99 Å²	99	20.8 Å²	20.8	46%	0.463	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-47.8	168.9	-173.2	-179	157.3	0	0	110.4	K267 L268	K267-E298 HydrophobicContact CB-CB 4.02Å; L268-E298 PolarHBondContact O-N 3.29Å
299	Y	98.5	Very high	97.4	Very high	12 Å²	12	20.8 Å²	20.8	5%	0.047	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	160	175.5	69.3	-96.8	0	0	0	110.8	R269 V270 S357 R359 D389	R269-Y299 HydrophobicContact CB-CD1 4.43Å; R269-Y299 HydrophobicContact CB-CE1 3.76Å; R269-Y299 HydrophobicContact CB-CE2 4.28Å; R269-Y299 HydrophobicContact CG-CD1 4.08Å; R269-Y299 HydrophobicContact CG-CE1 3.44Å; R269-Y299 VanDerWaalsContact CG-CE1 3.44Å; V270-Y299 PolarHBondContact N-O 3.5Å; Y299-S357 CarbonylContact C-O 3.57Å; Y299-S357 VanDerWaalsContact CA-O 3.22Å; Y299-S357 WeakPolarHBondContact CA-O 3.45Å; Y299-S357 WeakPolarHBondContact CB-O 3.18Å; Y299-R359 VanDerWaalsContact CZ-NH1 3.32Å; Y299-D389 PolarHBondContact OH-O 3.27Å
300	V	98.9	Very high	97.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.2	173.4	-173.5	0	0	0	0	109.1	V270 I272 A288 F291 L292 A297 F302 S357 F358 R359	V270-V300 HydrophobicContact CB-CG1 4.28Å; V270-V300 HydrophobicContact CB-CG2 4.21Å; V270-V300 HydrophobicContact CG1-CG1 4.34Å; V270-V300 CarbonylContact O-C 3.6Å; V270-V300 WeakPolarHBondContact O-CA 3.35Å; I272-V300 HydrophobicContact CD1-CG1 3.84Å; I272-V300 HydrophobicContact CG1-CG1 4.04Å; A288-V300 HydrophobicContact CB-CB 4.02Å; A288-V300 HydrophobicContact CB-CG1 3.75Å; A288-V300 HydrophobicContact CB-CG2 3.98Å; F291-V300 HydrophobicContact CB-CG2 4.46Å; L292-V300 HydrophobicContact CD2-CG2 4.38Å; L292-V300 HydrophobicContact CG-CG2 4.32Å; A297-V300 HydrophobicContact CB-CG2 4.42Å; V300-F302 HydrophobicContact CG1-CE1 4.34Å; V300-F302 HydrophobicContact CG1-CE2 4.36Å; V300-F302 HydrophobicContact CG1-CZ 4.11Å; V300-S357 PolarHBondContact N-O 2.8Å; V300-F358 HydrophobicContact CB-CD1 4.21Å; V300-F358 HydrophobicContact CB-CE1 4.34Å; V300-F358 HydrophobicContact CG2-CE1 4.45Å; V300-F358 CarbonylContact O-C 3.51Å; V300-F358 WeakPolarHBondContact O-CA 3.36Å; V300-R359 PolarHBondContact O-N 3.09Å
301	S	98.8	Very high	97.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.8	174.7	61.6	0	0	0	0	110.8	V270 A271 I272 H303 R359	V270-S301 PolarHBondContact O-N 3.21Å; V270-S301 PolarHBondContact O-OG 3.27Å; A271-S301 CarbonylContact C-O 3.51Å; A271-S301 VanDerWaalsContact CA-O 3.29Å; A271-S301 WeakPolarHBondContact CA-O 3.36Å; I272-S301 PolarHBondContact N-O 2.77Å; S301-H303 PolarHBondContact OG-NE2 2.98Å; S301-R359 CarbonylContact C-O 3.56Å; S301-R359 WeakPolarHBondContact CA-O 3.36Å
302	F	98.9	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.8	174.8	-59.2	-82.1	0	0	0	108.9	I272 L274 L285 A288 V300 F319 F358 R359 F360 K361	I272-F302 HydrophobicContact CB-CD1 4.31Å; I272-F302 HydrophobicContact CD1-CD1 4.49Å; I272-F302 HydrophobicContact CD1-CE1 4.07Å; I272-F302 WeakPolarHBondContact O-CA 3.41Å; L274-F302 HydrophobicContact CD1-CB 3.9Å; L274-F302 HydrophobicContact CD1-CD1 4.43Å; L274-F302 HydrophobicContact CD2-CD1 4.15Å; L274-F302 HydrophobicContact CG-CB 4.43Å; L285-F302 HydrophobicContact CD2-CE1 4.15Å; L285-F302 HydrophobicContact CD2-CE2 4.03Å; L285-F302 HydrophobicContact CD2-CZ 3.63Å; L285-F302 HydrophobicContact CG-CZ 4.46Å; A288-F302 HydrophobicContact CB-CE1 3.94Å; A288-F302 HydrophobicContact CB-CE2 4.43Å; A288-F302 HydrophobicContact CB-CZ 3.41Å; A288-F302 VanDerWaalsContact CB-CZ 3.41Å; V300-F302 HydrophobicContact CG1-CE1 4.34Å; V300-F302 HydrophobicContact CG1-CE2 4.36Å; V300-F302 HydrophobicContact CG1-CZ 4.11Å; F302-F319 HydrophobicContact CB-CE2 4.14Å; F302-F319 HydrophobicContact CD1-CE2 4.35Å; F302-F319 AromaticContact CD2-CE2 3.9Å; F302-F319 HydrophobicContact CD2-CE2 3.9Å; F302-F319 AromaticContact CD2-CZ 3.82Å; F302-F319 HydrophobicContact CD2-CZ 3.82Å; F302-F319 HydrophobicContact CE2-CE2 4.4Å; F302-F319 HydrophobicContact CE2-CZ 4.18Å; F302-F319 AromaticContact CG-CE2 3.87Å; F302-F319 HydrophobicContact CG-CE2 3.87Å; F302-F319 HydrophobicContact CG-CZ 4.27Å; F302-F358 HydrophobicContact CE2-CB 3.94Å; F302-F358 AromaticContact CE2-CD1 3.98Å; F302-F358 HydrophobicContact CE2-CD1 3.98Å; F302-F358 AromaticContact CE2-CD2 3.74Å; F302-F358 HydrophobicContact CE2-CD2 3.74Å; F302-F358 HydrophobicContact CE2-CE1 4.41Å; F302-F358 HydrophobicContact CE2-CE2 4.18Å; F302-F358 AromaticContact CE2-CG 3.64Å; F302-F358 HydrophobicContact CE2-CG 3.64Å; F302-F358 HydrophobicContact CZ-CD1 4.39Å; F302-F358 HydrophobicContact CZ-CD2 4.18Å; F302-F358 HydrophobicContact CZ-CE1 4.38Å; F302-F358 HydrophobicContact CZ-CE2 4.15Å; F302-F358 HydrophobicContact CZ-CG 4.32Å; F302-F358 HydrophobicContact CZ-CZ 4.27Å; F302-R359 WeakPolarHBondContact CD2-O 3.48Å; F302-R359 PolarHBondContact N-O 2.81Å; F302-F360 HydrophobicContact CB-CD2 4.04Å; F302-F360 CarbonylContact O-C 3.55Å; F302-F360 WeakPolarHBondContact O-CA 3.35Å; F302-K361 PolarHBondContact O-N 2.56Å
303	H	98.8	Very high	97	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	102.6	177.3	-67	-113.8	0	0	0	109	I272 I273 L274 S301 K361 W366	I272-H303 PolarHBondContact O-N 3.42Å; I273-H303 HydrophobicContact CD1-CB 3.5Å; I273-H303 VanDerWaalsContact CD1-CG 3.45Å; L274-H303 WeakPolarHBondContact CB-O 3.41Å; L274-H303 PolarHBondContact N-O 3.23Å; S301-H303 PolarHBondContact OG-NE2 2.98Å; H303-K361 WeakPolarHBondContact CA-O 3.44Å; H303-W366 HydrophobicContact CB-CZ2 4.19Å; H303-W366 AromaticContact ND1-CZ2 3.74Å; H303-W366 AromaticContact ND1-NE1 3.73Å
304	G	98.6	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	176.3	175.8	0	0	0	0	0	112.7	V314 K361	G304-V314 CarbonylContact C-O 3.53Å; G304-V314 WeakPolarHBondContact CA-O 3.21Å; G304-K361 PolarHBondContact N-O 2.67Å
305	K	98.6	Very high	97.3	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.7	178.1	-47.7	-51.4	-173	-147.4	0	110.5	L274 W309 D313 V314 W366 T367 N400	L274-K305 PolarHBondContact O-NZ 2.89Å; K305-W309 HydrophobicContact CB-CB 3.84Å; K305-W309 HydrophobicContact CG-CB 3.86Å; K305-W309 HydrophobicContact CG-CG 4.28Å; K305-D313 WeakPolarHBondContact CE-OD2 3.31Å; K305-D313 HydrophobicContact CG-CB 3.62Å; K305-V314 PolarHBondContact N-O 3.38Å; K305-W366 HydrophobicContact CD-CB 3.93Å; K305-T367 HydrophobicContact CB-CG2 3.73Å; K305-T367 HydrophobicContact CD-CG2 4.46Å; K305-T367 HydrophobicContact CG-CG2 4.45Å; K305-N400 PolarHBondContact NZ-OD1 3.47Å
306	S	97.3	Very high	97.5	Very high	33 Å²	33	12.8 Å²	12.8	23%	0.231	7%	0.073	C	C	.	.	S	Bend	trans	-77.6	-22	-176.5	-57.4	0	0	0	0	113.5	S363	S306-S363 PolarHBondContact OG-O 3.19Å
307	I	97.7	Very high	97.6	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.036	9%	0.087	C	C	.	.	S	Bend	trans	-133.6	162.6	176.5	50.9	174.9	0	0	0	108.7	P98 L99 I150 W309 T315 T367	P98-I307 HydrophobicContact CG-CG2 3.43Å; P98-I307 VanDerWaalsContact CG-CG2 3.43Å; L99-I307 HydrophobicContact CD1-CG2 4Å; L99-I307 HydrophobicContact CD2-CG2 3.94Å; L99-I307 HydrophobicContact CG-CG2 3.89Å; I150-I307 HydrophobicContact CB-CD1 4.26Å; I150-I307 HydrophobicContact CG1-CB 4.45Å; I150-I307 HydrophobicContact CG1-CD1 4.06Å; I150-I307 HydrophobicContact CG2-CB 4.33Å; I150-I307 HydrophobicContact CG2-CD1 4.15Å; I150-I307 HydrophobicContact CG2-CG2 4.28Å; I307-W309 HydrophobicContact CD1-CE3 4.02Å; I307-W309 HydrophobicContact CD1-CZ3 4.24Å; I307-W309 HydrophobicContact CG1-CE3 4.22Å; I307-W309 PolarHBondContact O-N 3.31Å; I307-W309 VanDerWaalsContact O-N 3.09Å; I307-T315 WeakPolarHBondContact O-CG2 3.2Å; I307-T367 HydrophobicContact CG1-CG2 3.76Å
308	P	97.7	Very high	97.6	Very high	21 Å²	21	16.1 Å²	16.1	14%	0.136	9%	0.086	C	C	.	.			trans	-54.4	122.2	166.8	-17.8	29.3	0	0	0	108.7	I150 D162	I150-P308 HydrophobicContact CD1-CB 3.89Å; I150-P308 HydrophobicContact CD1-CG 4.02Å; I150-P308 WeakPolarHBondContact CD1-O 3.38Å; I150-P308 WeakPolarHBondContact CG1-O 3.31Å; D162-P308 HydrophobicContact CB-CB 4.17Å; D162-P308 HydrophobicContact CB-CG 3.61Å
309	W	97.6	Very high	97.7	Very high	1 Å²	1	11.5 Å²	11.5	0%	0.004	6%	0.064	C	C	.	.			trans	-134.3	132.6	-168.5	-167.7	-110.7	0	0	0	107.4	W107 C143 R147 K305 I307 D313 T367	W107-W309 HydrophobicContact CH2-CH2 4.26Å; W107-W309 AromaticContact CZ2-CH2 3.74Å; W107-W309 HydrophobicContact CZ2-CH2 3.74Å; W107-W309 HydrophobicContact CZ2-CZ3 4.44Å; C143-W309 HydrophobicContact CB-CH2 3.94Å; C143-W309 HydrophobicContact CB-CZ2 3.74Å; C143-W309 WeakPolarHBondContact O-CH2 3.32Å; R147-W309 HydrophobicContact CB-CH2 4.19Å; R147-W309 HydrophobicContact CB-CZ3 3.83Å; K305-W309 HydrophobicContact CB-CB 3.84Å; K305-W309 HydrophobicContact CG-CB 3.86Å; K305-W309 HydrophobicContact CG-CG 4.28Å; I307-W309 HydrophobicContact CD1-CE3 4.02Å; I307-W309 HydrophobicContact CD1-CZ3 4.24Å; I307-W309 HydrophobicContact CG1-CE3 4.22Å; I307-W309 PolarHBondContact O-N 3.31Å; I307-W309 VanDerWaalsContact O-N 3.09Å; W309-D313 HydrophobicContact CB-CB 4.25Å; W309-D313 WeakPolarHBondContact O-CB 3.39Å; W309-D313 PolarHBondContact O-N 3.05Å; W309-T367 HydrophobicContact CB-CG2 4.03Å; W309-T367 HydrophobicContact CD2-CG2 3.75Å; W309-T367 HydrophobicContact CE3-CG2 3.9Å; W309-T367 HydrophobicContact CG-CG2 3.8Å; W309-T367 VanDerWaalsContact CH2-O 3.3Å; W309-T367 WeakPolarHBondContact CH2-O 3.33Å; W309-T367 WeakPolarHBondContact CZ3-O 3.48Å
310	F	96	Very high	97.6	Very high	23 Å²	23	15.1 Å²	15.1	10%	0.101	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-158.8	-170.1	-77.7	-116.3	0	0	0	110.9	E142 Y146 F164 D313 L399	E142-F310 HydrophobicContact CB-CZ 4.45Å; E142-F310 HydrophobicContact CG-CE1 3.7Å; E142-F310 HydrophobicContact CG-CZ 3.68Å; Y146-F310 HydrophobicContact CD2-CB 4.34Å; Y146-F310 AromaticContact CD2-CD1 3.95Å; Y146-F310 HydrophobicContact CD2-CD1 3.95Å; Y146-F310 AromaticContact CD2-CD2 3.62Å; Y146-F310 HydrophobicContact CD2-CD2 3.62Å; Y146-F310 HydrophobicContact CD2-CE1 4.11Å; Y146-F310 AromaticContact CD2-CE2 3.78Å; Y146-F310 HydrophobicContact CD2-CE2 3.78Å; Y146-F310 AromaticContact CD2-CG 3.7Å; Y146-F310 HydrophobicContact CD2-CG 3.7Å; Y146-F310 HydrophobicContact CD2-CZ 4.03Å; Y146-F310 VanDerWaalsContact CE1-C 3.44Å; Y146-F310 HydrophobicContact CE1-CB 4.44Å; Y146-F310 HydrophobicContact CE2-CB 4.19Å; Y146-F310 AromaticContact CE2-CD1 3.48Å; Y146-F310 HydrophobicContact CE2-CD1 3.48Å; Y146-F310 VanDerWaalsContact CE2-CD1 3.48Å; Y146-F310 HydrophobicContact CE2-CD2 4.04Å; Y146-F310 AromaticContact CE2-CE1 3.75Å; Y146-F310 HydrophobicContact CE2-CE1 3.75Å; Y146-F310 HydrophobicContact CE2-CE2 4.27Å; Y146-F310 AromaticContact CE2-CG 3.63Å; Y146-F310 HydrophobicContact CE2-CG 3.63Å; Y146-F310 HydrophobicContact CE2-CZ 4.14Å; Y146-F310 HydrophobicContact CG-CD2 4.13Å; Y146-F310 HydrophobicContact CG-CG 4.28Å; F164-F310 WeakPolarHBondContact CD2-O 3.15Å; F164-F310 WeakPolarHBondContact CE2-O 3.43Å; F310-D313 WeakPolarHBondContact CB-OD1 3.34Å; F310-L399 HydrophobicContact CD2-CD2 3.81Å; F310-L399 HydrophobicContact CE1-CD1 4.31Å; F310-L399 HydrophobicContact CE1-CD2 4.43Å; F310-L399 HydrophobicContact CE2-CD1 4.03Å; F310-L399 HydrophobicContact CE2-CD2 3.6Å; F310-L399 HydrophobicContact CE2-CG 4.45Å; F310-L399 HydrophobicContact CG-CD2 4.34Å; F310-L399 HydrophobicContact CZ-CD1 3.66Å; F310-L399 HydrophobicContact CZ-CD2 3.94Å; F310-L399 HydrophobicContact CZ-CG 4.36Å
311	V	94.5	Very high	97.5	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.024	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-40.2	-179	178.5	0	0	0	0	111.4	I44 Y146 F164 K167 L213	I44-V311 HydrophobicContact CD1-CG2 4.26Å; I44-V311 HydrophobicContact CG2-CG2 4.09Å; Y146-V311 HydrophobicContact CE1-CG2 4.25Å; F164-V311 WeakPolarHBondContact CB-O 3.36Å; F164-V311 HydrophobicContact CD1-CG1 4.17Å; F164-V311 HydrophobicContact CE1-CG2 4.41Å; F164-V311 WeakPolarHBondContact CG-O 3.03Å; K167-V311 HydrophobicContact CD-CG1 4.11Å; L213-V311 HydrophobicContact CB-CG1 4.21Å
312	S	94.7	Very high	97.3	Very high	2 Å²	2	17 Å²	17	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	3.1	-165.2	37.9	0	0	0	0	115.1	N276 S277	N276-S312 CarbonylContact C-O 3.52Å; N276-S312 WeakPolarHBondContact CA-O 3.3Å; N276-S312 WeakPolarHBondContact OD1-CB 3.35Å; N276-S312 PolarHBondContact OD1-OG 3.27Å; S277-S312 WeakPolarHBondContact CB-O 3.39Å; S277-S312 PolarHBondContact N-O 2.7Å; S277-S312 PolarHBondContact OG-O 3.17Å
313	D	98	Very high	97.2	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-59.6	143.9	-175.9	-64.3	29	0	0	0	112.3	K168 D275 K305 W309 F310 T315	K168-D313 PolarHBondContact NZ-O 3.25Å; D275-D313 CarbonylContact O-C 3.59Å; D275-D313 WeakPolarHBondContact O-CA 3.21Å; K305-D313 WeakPolarHBondContact CE-OD2 3.31Å; K305-D313 HydrophobicContact CG-CB 3.62Å; W309-D313 HydrophobicContact CB-CB 4.25Å; W309-D313 WeakPolarHBondContact O-CB 3.39Å; W309-D313 PolarHBondContact O-N 3.05Å; F310-D313 WeakPolarHBondContact CB-OD1 3.34Å; D313-T315 PolarHBondContact O-N 3.41Å
314	V	98.4	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-69.9	118.5	-175.8	-175	0	0	0	0	110.9	L274 D275 N276 L281 G304 K305 D318 F319 F360	L274-V314 HydrophobicContact CB-CB 4.12Å; L274-V314 HydrophobicContact CB-CG2 4.16Å; L274-V314 HydrophobicContact CD1-CB 3.88Å; L274-V314 HydrophobicContact CD1-CG1 3.78Å; L274-V314 HydrophobicContact CD1-CG2 4.14Å; D275-V314 PolarHBondContact O-N 2.9Å; N276-V314 VanDerWaalsContact O-CG2 3.28Å; N276-V314 WeakPolarHBondContact O-CG2 3.44Å; L281-V314 HydrophobicContact CB-CG2 4.21Å; L281-V314 HydrophobicContact CD1-CG1 4.42Å; L281-V314 HydrophobicContact CD1-CG2 4.28Å; L281-V314 HydrophobicContact CD2-CG1 3.94Å; L281-V314 HydrophobicContact CD2-CG2 4.18Å; L281-V314 HydrophobicContact CG-CG2 4.45Å; G304-V314 CarbonylContact C-O 3.53Å; G304-V314 WeakPolarHBondContact CA-O 3.21Å; K305-V314 PolarHBondContact N-O 3.38Å; V314-D318 HydrophobicContact CG1-CB 4.35Å; V314-F319 HydrophobicContact CG1-CB 4.17Å; V314-F360 HydrophobicContact CG1-CE2 4.26Å
315	T	98.3	Very high	96.6	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.043	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-97.8	169.9	163.1	70.5	0	0	0	0	111.1	I307 D313 K317 D318 F319	I307-T315 WeakPolarHBondContact O-CG2 3.2Å; D313-T315 PolarHBondContact O-N 3.41Å; T315-K317 PolarHBondContact O-N 3.43Å; T315-K317 PolarHBondContact OG1-N 3.31Å; T315-D318 WeakPolarHBondContact CB-OD2 3.48Å; T315-D318 PolarHBondContact N-OD2 3Å; T315-D318 PolarHBondContact O-N 3.21Å; T315-D318 VanDerWaalsContact O-N 3.17Å; T315-D318 PolarHBondContact OG1-N 2.9Å; T315-D318 PolarHBondContact OG1-OD2 3.46Å; T315-F319 PolarHBondContact O-N 3.47Å
316	G	97.6	Very high	96	Very high	20 Å²	20	26.6 Å²	26.6	21%	0.206	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-29.3	171	0	0	0	0	0	113.3	N320 F360	G316-N320 VanDerWaalsContact O-CB 3.27Å; G316-N320 WeakPolarHBondContact O-CB 3.33Å; G316-N320 VanDerWaalsContact O-CG 3.28Å; G316-N320 PolarHBondContact O-N 3.43Å; G316-N320 PolarHBondContact O-ND2 2.99Å; G316-F360 VanDerWaalsContact CA-CZ 3.43Å
317	K	96.6	Very high	95.3	Very high	95 Å²	95	27.4 Å²	27.4	41%	0.413	14%	0.144	S	C	.	.	H	α-helix	trans	-68.4	-42	175.8	-66.3	-170.8	177.7	-165.1	0	111.4	E160 T315 W321	E160-K317 PolarHBondContact O-NZ 3.05Å; E160-K317 IonicContact OE2-NZ 3.57Å; E160-K317 PolarHBondContact OE2-NZ 3.46Å; T315-K317 PolarHBondContact O-N 3.43Å; T315-K317 PolarHBondContact OG1-N 3.31Å; K317-W321 VanDerWaalsContact O-CB 3.3Å; K317-W321 WeakPolarHBondContact O-CB 3.33Å; K317-W321 PolarHBondContact O-N 2.98Å
318	D	97.7	Very high	94.5	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-45	177.9	-56.9	-58	0	0	0	111.4	K168 V314 T315 W321 L322	K168-D318 WeakPolarHBondContact CD-OD1 3.34Å; K168-D318 IonicContact NZ-OD1 3.73Å; K168-D318 PolarHBondContact NZ-OD1 3.17Å; K168-D318 IonicContact NZ-OD2 3.99Å; K168-D318 PolarHBondContact NZ-OD2 3.29Å; V314-D318 HydrophobicContact CG1-CB 4.35Å; T315-D318 WeakPolarHBondContact CB-OD2 3.48Å; T315-D318 PolarHBondContact N-OD2 3Å; T315-D318 PolarHBondContact O-N 3.21Å; T315-D318 VanDerWaalsContact O-N 3.17Å; T315-D318 PolarHBondContact OG1-N 2.9Å; T315-D318 PolarHBondContact OG1-OD2 3.46Å; D318-W321 PolarHBondContact O-N 3.19Å; D318-L322 PolarHBondContact O-N 3.5Å
319	F	98.2	Very high	93.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-48.1	177.1	-166.5	-86.7	0	0	0	111.4	L281 L285 F302 V314 T315 W321 L322 L323 I353 F360	L281-F319 HydrophobicContact CD1-CD2 3.8Å; L281-F319 HydrophobicContact CD1-CE2 4.02Å; L281-F319 HydrophobicContact CD2-CD2 4.1Å; L285-F319 HydrophobicContact CD2-CE2 3.98Å; L285-F319 HydrophobicContact CD2-CZ 3.96Å; F302-F319 HydrophobicContact CB-CE2 4.14Å; F302-F319 HydrophobicContact CD1-CE2 4.35Å; F302-F319 AromaticContact CD2-CE2 3.9Å; F302-F319 HydrophobicContact CD2-CE2 3.9Å; F302-F319 AromaticContact CD2-CZ 3.82Å; F302-F319 HydrophobicContact CD2-CZ 3.82Å; F302-F319 HydrophobicContact CE2-CE2 4.4Å; F302-F319 HydrophobicContact CE2-CZ 4.18Å; F302-F319 AromaticContact CG-CE2 3.87Å; F302-F319 HydrophobicContact CG-CE2 3.87Å; F302-F319 HydrophobicContact CG-CZ 4.27Å; V314-F319 HydrophobicContact CG1-CB 4.17Å; T315-F319 PolarHBondContact O-N 3.47Å; F319-W321 PolarHBondContact O-N 3.5Å; F319-L322 PolarHBondContact O-N 3.39Å; F319-L323 HydrophobicContact CD1-CD1 3.87Å; F319-L323 HydrophobicContact CD1-CG 4.43Å; F319-L323 HydrophobicContact CE1-CD1 3.48Å; F319-L323 VanDerWaalsContact CE1-CD1 3.48Å; F319-L323 HydrophobicContact CE1-CG 4.29Å; F319-L323 HydrophobicContact CZ-CD1 4.34Å; F319-L323 WeakPolarHBondContact O-CG 3.33Å; F319-L323 PolarHBondContact O-N 3.21Å; F319-I353 HydrophobicContact CE1-CD1 3.73Å; F319-I353 HydrophobicContact CE1-CG1 4.3Å; F319-I353 HydrophobicContact CZ-CD1 4.11Å; F319-F360 HydrophobicContact CB-CD2 3.94Å; F319-F360 HydrophobicContact CB-CE2 3.67Å; F319-F360 HydrophobicContact CB-CZ 4.27Å; F319-F360 HydrophobicContact CD1-CB 4.49Å; F319-F360 AromaticContact CD1-CD2 3.87Å; F319-F360 HydrophobicContact CD1-CD2 3.87Å; F319-F360 HydrophobicContact CD1-CE2 4.48Å; F319-F360 HydrophobicContact CD1-CG 4.35Å; F319-F360 AromaticContact CD2-CD2 3.57Å; F319-F360 HydrophobicContact CD2-CD2 3.57Å; F319-F360 AromaticContact CD2-CE2 3.73Å; F319-F360 HydrophobicContact CD2-CE2 3.73Å; F319-F360 HydrophobicContact CE1-CB 4.43Å; F319-F360 HydrophobicContact CE1-CD2 4.25Å; F319-F360 AromaticContact CE2-CD2 3.99Å; F319-F360 HydrophobicContact CE2-CD2 3.99Å; F319-F360 AromaticContact CG-CD2 3.52Å; F319-F360 HydrophobicContact CG-CD2 3.52Å; F319-F360 AromaticContact CG-CE2 3.72Å; F319-F360 HydrophobicContact CG-CE2 3.72Å; F319-F360 HydrophobicContact CG-CG 4.37Å; F319-F360 HydrophobicContact CZ-CD2 4.31Å
320	N	97.2	Very high	92.9	Very high	88 Å²	88	33.3 Å²	33.3	47%	0.471	17%	0.172	S	C	.	.	H	α-helix	trans	-66.1	-37.3	177.4	-77.8	-36.6	0	0	0	112.8	G316 L323 N324	G316-N320 VanDerWaalsContact O-CB 3.27Å; G316-N320 WeakPolarHBondContact O-CB 3.33Å; G316-N320 VanDerWaalsContact O-CG 3.28Å; G316-N320 PolarHBondContact O-N 3.43Å; G316-N320 PolarHBondContact O-ND2 2.99Å; N320-L323 PolarHBondContact O-N 2.98Å; N320-N324 WeakPolarHBondContact O-CB 3.36Å; N320-N324 PolarHBondContact O-N 3.26Å; N320-N324 VanDerWaalsContact O-N 3.09Å; N320-N324 PolarHBondContact O-ND2 2.95Å
321	W	95.7	Very high	91.6	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.125	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-49.7	174.7	171.4	75.8	0	0	0	110.6	F165 K169 F172 K317 D318 F319 L323 N324 M325 E329	F165-W321 HydrophobicContact CE2-CB 4.17Å; F165-W321 HydrophobicContact CE2-CG 4.22Å; F165-W321 HydrophobicContact CZ-CB 4.22Å; F165-W321 HydrophobicContact CZ-CG 4.03Å; K169-W321 HydrophobicContact CB-CH2 4.44Å; K169-W321 HydrophobicContact CB-CZ2 4.32Å; K169-W321 HydrophobicContact CD-CZ2 4.07Å; K169-W321 VanDerWaalsContact CE-NE1 3.25Å; K169-W321 HydrophobicContact CG-CD2 4.4Å; K169-W321 HydrophobicContact CG-CH2 4.06Å; K169-W321 HydrophobicContact CG-CZ2 3.69Å; F172-W321 HydrophobicContact CB-CH2 3.95Å; F172-W321 HydrophobicContact CB-CZ3 4.16Å; F172-W321 AromaticContact CD1-CH2 3.9Å; F172-W321 HydrophobicContact CD1-CH2 3.9Å; F172-W321 HydrophobicContact CD1-CZ3 4.48Å; F172-W321 HydrophobicContact CD2-CH2 4.42Å; F172-W321 HydrophobicContact CD2-CZ3 4.2Å; F172-W321 AromaticContact CG-CH2 3.83Å; F172-W321 HydrophobicContact CG-CH2 3.83Å; F172-W321 HydrophobicContact CG-CZ3 4.02Å; K317-W321 VanDerWaalsContact O-CB 3.3Å; K317-W321 WeakPolarHBondContact O-CB 3.33Å; K317-W321 PolarHBondContact O-N 2.98Å; D318-W321 PolarHBondContact O-N 3.19Å; F319-W321 PolarHBondContact O-N 3.5Å; W321-L323 VanDerWaalsContact C-N 3.26Å; W321-L323 PolarHBondContact O-N 2.92Å; W321-N324 CarbonylContact O-C 3.58Å; W321-N324 PolarHBondContact O-N 3.36Å; W321-N324 VanDerWaalsContact O-N 3.09Å; W321-M325 HydrophobicContact CH2-CE 4.26Å; W321-M325 HydrophobicContact CH2-SD 3.65Å; W321-M325 HydrophobicContact CZ2-CB 4.37Å; W321-M325 HydrophobicContact CZ2-CE 4.37Å; W321-M325 HydrophobicContact CZ2-CG 3.95Å; W321-M325 HydrophobicContact CZ2-SD 3.29Å; W321-M325 WeakPolarHBondContact CZ2-SD 3.33Å; W321-M325 WeakPolarHBondContact O-CA 3.02Å; W321-M325 VanDerWaalsContact O-CB 3.25Å; W321-M325 WeakPolarHBondContact O-CB 3.49Å; W321-M325 PolarHBondContact O-N 3.31Å; W321-E329 PolarHBondContact NE1-OE2 3.23Å
322	L	95.4	Very high	90.3	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-57.4	-40.1	180	-178.4	151.6	0	0	0	112.2	F172 L281 V282 L285 D318 F319 W349	F172-L322 HydrophobicContact CD2-CD1 4.41Å; F172-L322 HydrophobicContact CE2-CD1 3.96Å; F172-L322 HydrophobicContact CE2-CG 4.35Å; L281-L322 HydrophobicContact CB-CD1 4.31Å; L281-L322 HydrophobicContact CD2-CB 4.44Å; L281-L322 HydrophobicContact CD2-CD1 3.88Å; L281-L322 HydrophobicContact CG-CD1 3.98Å; V282-L322 HydrophobicContact CG2-CD1 3.8Å; L285-L322 HydrophobicContact CD1-CD1 4.42Å; L285-L322 HydrophobicContact CD1-CD2 3.52Å; D318-L322 PolarHBondContact O-N 3.5Å; F319-L322 PolarHBondContact O-N 3.39Å; L322-W349 HydrophobicContact CD2-CE3 4.2Å; L322-W349 HydrophobicContact CD2-CZ3 4Å
323	L	96	Very high	88.8	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-73.8	-24.5	179.6	-67.5	-173.9	0	0	0	114.5	F319 N320 W321 W349 R350 I353	F319-L323 HydrophobicContact CD1-CD1 3.87Å; F319-L323 HydrophobicContact CD1-CG 4.43Å; F319-L323 HydrophobicContact CE1-CD1 3.48Å; F319-L323 VanDerWaalsContact CE1-CD1 3.48Å; F319-L323 HydrophobicContact CE1-CG 4.29Å; F319-L323 HydrophobicContact CZ-CD1 4.34Å; F319-L323 WeakPolarHBondContact O-CG 3.33Å; F319-L323 PolarHBondContact O-N 3.21Å; N320-L323 PolarHBondContact O-N 2.98Å; W321-L323 VanDerWaalsContact C-N 3.26Å; W321-L323 PolarHBondContact O-N 2.92Å; L323-W349 HydrophobicContact CD2-CB 3.59Å; L323-W349 HydrophobicContact CD2-CE3 4.06Å; L323-R350 HydrophobicContact CB-CG 3.99Å; L323-R350 HydrophobicContact CD1-CG 4.5Å; L323-R350 WeakPolarHBondContact O-CD 3.5Å; L323-R350 PolarHBondContact O-NE 3.48Å; L323-I353 HydrophobicContact CD1-CG1 3.91Å
324	N	95.3	Very high	87.3	Confident	93 Å²	93	46.5 Å²	46.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-122.6	6.1	-172.4	-61.8	-76.4	0	0	0	114.1	N320 W321 N326 R350	N320-N324 WeakPolarHBondContact O-CB 3.36Å; N320-N324 PolarHBondContact O-N 3.26Å; N320-N324 VanDerWaalsContact O-N 3.09Å; N320-N324 PolarHBondContact O-ND2 2.95Å; W321-N324 CarbonylContact O-C 3.58Å; W321-N324 PolarHBondContact O-N 3.36Å; W321-N324 VanDerWaalsContact O-N 3.09Å; N324-N326 PolarHBondContact O-N 3.19Å; N324-R350 WeakPolarHBondContact OD1-CD 3.27Å
325	M	90.5	Very high	86.1	Confident	24 Å²	24	50.6 Å²	50.6	12%	0.118	29%	0.287	C	S	.	.			trans	-52	136.6	-179	168.8	177.5	37.6	0	0	110.3	F172 W321 I327 E329 L330 V342	F172-M325 HydrophobicContact CD1-CE 4.29Å; F172-M325 HydrophobicContact CD1-SD 4.47Å; F172-M325 HydrophobicContact CE1-CE 3.53Å; F172-M325 HydrophobicContact CE1-SD 4.17Å; F172-M325 HydrophobicContact CZ-CE 3.69Å; W321-M325 HydrophobicContact CH2-CE 4.26Å; W321-M325 HydrophobicContact CH2-SD 3.65Å; W321-M325 HydrophobicContact CZ2-CB 4.37Å; W321-M325 HydrophobicContact CZ2-CE 4.37Å; W321-M325 HydrophobicContact CZ2-CG 3.95Å; W321-M325 HydrophobicContact CZ2-SD 3.29Å; W321-M325 WeakPolarHBondContact CZ2-SD 3.33Å; W321-M325 WeakPolarHBondContact O-CA 3.02Å; W321-M325 VanDerWaalsContact O-CB 3.25Å; W321-M325 WeakPolarHBondContact O-CB 3.49Å; W321-M325 PolarHBondContact O-N 3.31Å; M325-I327 PolarHBondContact O-N 3Å; M325-E329 HydrophobicContact CG-CB 4.3Å; M325-L330 HydrophobicContact CE-CD1 4.13Å; M325-L330 HydrophobicContact CE-CD2 4.22Å; M325-L330 HydrophobicContact CE-CG 4.45Å; M325-L330 HydrophobicContact SD-CD1 4.36Å; M325-L330 HydrophobicContact SD-CD2 3.64Å; M325-L330 HydrophobicContact SD-CG 4.04Å; M325-V342 HydrophobicContact CE-CG1 4.07Å
326	N	85.3	Confident	85.3	Confident	84 Å²	84	56.4 Å²	56.4	45%	0.449	32%	0.318	S	S	.	.			trans	-69.1	125	174.2	-178.4	-2.6	0	0	0	108.3	N324 L328 E329	N324-N326 PolarHBondContact O-N 3.19Å; N326-L328 PolarHBondContact O-N 3.29Å; N326-L328 VanDerWaalsContact O-N 3.14Å; N326-L328 WeakPolarHBondContact OD1-CB 3.37Å; N326-L328 WeakPolarHBondContact OD1-CG 3.35Å; N326-L328 PolarHBondContact OD1-N 3.43Å; N326-E329 HydrophobicContact CB-CG 4.15Å; N326-E329 PolarHBondContact N-OE1 3.04Å; N326-E329 WeakPolarHBondContact O-CB 3.4Å; N326-E329 PolarHBondContact O-N 3.13Å
327	I	82.2	Confident	84.6	Confident	50 Å²	50	59.8 Å²	59.8	26%	0.256	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.1	-178.1	-157.9	71.3	0	0	0	112.6	M325 E329 L330 T339 V342	M325-I327 PolarHBondContact O-N 3Å; I327-E329 PolarHBondContact O-N 2.77Å; I327-L330 HydrophobicContact CD1-CD1 3.71Å; I327-L330 WeakPolarHBondContact O-CB 3.15Å; I327-L330 PolarHBondContact O-N 3.37Å; I327-T339 HydrophobicContact CD1-CG2 3.79Å; I327-T339 VanDerWaalsContact CD1-O 3.23Å; I327-T339 WeakPolarHBondContact CD1-O 3.4Å; I327-T339 HydrophobicContact CG1-CG2 3.27Å; I327-V342 HydrophobicContact CD1-CB 4.45Å; I327-V342 HydrophobicContact CD1-CG1 4.45Å
328	L	81.1	Confident	84	Confident	96 Å²	96	55.3 Å²	55.3	50%	0.503	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-62.2	-23.6	171.8	-56.3	178.5	0	0	0	112.4	N326 L330 E331	N326-L328 PolarHBondContact O-N 3.29Å; N326-L328 VanDerWaalsContact O-N 3.14Å; N326-L328 WeakPolarHBondContact OD1-CB 3.37Å; N326-L328 WeakPolarHBondContact OD1-CG 3.35Å; N326-L328 PolarHBondContact OD1-N 3.43Å; L328-L330 PolarHBondContact O-N 2.87Å; L328-E331 VanDerWaalsContact CD2-CD 3.46Å; L328-E331 HydrophobicContact CD2-CG 4.44Å; L328-E331 WeakPolarHBondContact CD2-OE1 3.45Å; L328-E331 WeakPolarHBondContact O-CB 3.36Å; L328-E331 PolarHBondContact O-N 2.92Å
329	E	81.6	Confident	83.6	Confident	58 Å²	58	56.5 Å²	56.5	27%	0.271	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.7	173.7	-67.2	175.7	-122.9	0	0	112.5	K169 K173 W321 M325 N326 I327	K169-E329 IonicContact NZ-OE2 3.68Å; K173-E329 WeakPolarHBondContact CE-O 3.19Å; K173-E329 PolarHBondContact NZ-O 2.75Å; W321-E329 PolarHBondContact NE1-OE2 3.23Å; M325-E329 HydrophobicContact CG-CB 4.3Å; N326-E329 HydrophobicContact CB-CG 4.15Å; N326-E329 PolarHBondContact N-OE1 3.04Å; N326-E329 WeakPolarHBondContact O-CB 3.4Å; N326-E329 PolarHBondContact O-N 3.13Å; I327-E329 PolarHBondContact O-N 2.77Å
330	L	80.4	Confident	83.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-96.1	-8.7	178.6	-55.4	-178.7	0	0	0	112.9	F172 K173 M325 I327 L328 G332 A333 Y338 V342	F172-L330 HydrophobicContact CD1-CD2 4.29Å; F172-L330 HydrophobicContact CE1-CD2 3.92Å; K173-L330 HydrophobicContact CG-CD2 4.39Å; M325-L330 HydrophobicContact CE-CD1 4.13Å; M325-L330 HydrophobicContact CE-CD2 4.22Å; M325-L330 HydrophobicContact CE-CG 4.45Å; M325-L330 HydrophobicContact SD-CD1 4.36Å; M325-L330 HydrophobicContact SD-CD2 3.64Å; M325-L330 HydrophobicContact SD-CG 4.04Å; I327-L330 HydrophobicContact CD1-CD1 3.71Å; I327-L330 WeakPolarHBondContact O-CB 3.15Å; I327-L330 PolarHBondContact O-N 3.37Å; L328-L330 PolarHBondContact O-N 2.87Å; L330-G332 PolarHBondContact O-N 3.39Å; L330-A333 WeakPolarHBondContact O-CB 3.17Å; L330-A333 PolarHBondContact O-N 3.13Å; L330-A333 VanDerWaalsContact O-N 3.12Å; L330-Y338 HydrophobicContact CB-CE1 4.25Å; L330-Y338 HydrophobicContact CD1-CD1 4.4Å; L330-Y338 HydrophobicContact CD1-CE1 3.75Å; L330-Y338 HydrophobicContact CD2-CE1 4.13Å; L330-Y338 HydrophobicContact CG-CE1 4.26Å; L330-V342 HydrophobicContact CD1-CB 4.18Å; L330-V342 HydrophobicContact CD1-CG1 3.96Å; L330-V342 HydrophobicContact CD1-CG2 4.32Å
331	E	69.6	Low	82.9	Confident	133 Å²	133	59.1 Å²	59.1	62%	0.621	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	129.8	176.4	-71.4	-178.9	165.2	0	0	110.3	L328 A333	L328-E331 VanDerWaalsContact CD2-CD 3.46Å; L328-E331 HydrophobicContact CD2-CG 4.44Å; L328-E331 WeakPolarHBondContact CD2-OE1 3.45Å; L328-E331 WeakPolarHBondContact O-CB 3.36Å; L328-E331 PolarHBondContact O-N 2.92Å; E331-A333 VanDerWaalsContact C-N 3.32Å; E331-A333 PolarHBondContact O-N 3.03Å
332	G	66.8	Low	82.8	Confident	88 Å²	88	58.1 Å²	58.1	91%	0.907	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-9.7	-176.5	0	0	0	0	0	115.5	L330	L330-G332 PolarHBondContact O-N 3.39Å
333	A	63.7	Low	82.7	Confident	39 Å²	39	59.4 Å²	59.4	32%	0.322	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-37.4	177.5	0	0	0	0	0	113.1	K173 L330 E331	K173-A333 HydrophobicContact CB-CB 4.45Å; L330-A333 WeakPolarHBondContact O-CB 3.17Å; L330-A333 PolarHBondContact O-N 3.13Å; L330-A333 VanDerWaalsContact O-N 3.12Å; E331-A333 VanDerWaalsContact C-N 3.32Å; E331-A333 PolarHBondContact O-N 3.03Å
334	N	66.5	Low	82.6	Confident	50 Å²	50	63.7 Å²	63.7	27%	0.267	35%	0.353	S	S	.	.	S	Bend	trans	-154.2	-176.5	-173.7	-66	-70.2	0	0	0	112.2	G176 Y338	G176-N334 VanDerWaalsContact CA-ND2 3.35Å; G176-N334 WeakPolarHBondContact CA-ND2 3.49Å; N334-Y338 HydrophobicContact CB-CD1 3.54Å; N334-Y338 HydrophobicContact CB-CE1 4.17Å; N334-Y338 HydrophobicContact CB-CG 3.81Å; N334-Y338 WeakPolarHBondContact ND2-CE1 3.5Å
335	N	73.2	Confident	82.7	Confident	86 Å²	86	60.2 Å²	60.2	46%	0.46	33%	0.333	S	S	.	.			trans	-72.7	164.7	-179.6	68.5	19.6	0	0	0	114.4	Q337 Y338 T339	N335-Q337 PolarHBondContact O-N 3.38Å; N335-Q337 VanDerWaalsContact O-N 3.15Å; N335-Q337 PolarHBondContact OD1-N 3.12Å; N335-Y338 WeakPolarHBondContact O-CB 3.41Å; N335-Y338 PolarHBondContact O-N 3.07Å; N335-Y338 WeakPolarHBondContact OD1-CB 3.44Å; N335-Y338 PolarHBondContact OD1-N 2.86Å; N335-T339 PolarHBondContact O-N 3.14Å
336	D	80.5	Confident	83	Confident	129 Å²	129	59.7 Å²	59.7	69%	0.69	33%	0.332	S	S	*	.	H	α-helix	trans	-57.3	-30.6	179	-70.6	-20.3	0	0	0	113.3	Q340	D336-Q340 WeakPolarHBondContact O-CB 3.13Å; D336-Q340 WeakPolarHBondContact O-CG 3.34Å; D336-Q340 PolarHBondContact O-N 2.81Å
337	Q	82.5	Confident	83.6	Confident	90 Å²	90	60.6 Å²	60.6	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-39	-179.1	-174.7	177.7	14.7	0	0	112.5	N335 Q340 S341	N335-Q337 PolarHBondContact O-N 3.38Å; N335-Q337 VanDerWaalsContact O-N 3.15Å; N335-Q337 PolarHBondContact OD1-N 3.12Å; Q337-Q340 PolarHBondContact O-N 3.14Å; Q337-S341 WeakPolarHBondContact O-CB 3.48Å; Q337-S341 PolarHBondContact O-N 3.29Å; Q337-S341 PolarHBondContact O-OG 3.42Å
338	Y	85.4	Confident	84.3	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-51.8	175.2	169	-104.7	0	0	0	110.8	F172 G176 I179 N180 L330 N334 N335 Q340 S341 V342	F172-Y338 WeakPolarHBondContact CE1-OH 3.47Å; G176-Y338 WeakPolarHBondContact O-CE2 3.43Å; I179-Y338 HydrophobicContact CB-CE2 3.85Å; I179-Y338 HydrophobicContact CG2-CD2 4.31Å; I179-Y338 HydrophobicContact CG2-CE2 3.51Å; N180-Y338 HydrophobicContact CB-CD2 3.93Å; N180-Y338 WeakPolarHBondContact OD1-CA 3.35Å; L330-Y338 HydrophobicContact CB-CE1 4.25Å; L330-Y338 HydrophobicContact CD1-CD1 4.4Å; L330-Y338 HydrophobicContact CD1-CE1 3.75Å; L330-Y338 HydrophobicContact CD2-CE1 4.13Å; L330-Y338 HydrophobicContact CG-CE1 4.26Å; N334-Y338 HydrophobicContact CB-CD1 3.54Å; N334-Y338 HydrophobicContact CB-CE1 4.17Å; N334-Y338 HydrophobicContact CB-CG 3.81Å; N334-Y338 WeakPolarHBondContact ND2-CE1 3.5Å; N335-Y338 WeakPolarHBondContact O-CB 3.41Å; N335-Y338 PolarHBondContact O-N 3.07Å; N335-Y338 WeakPolarHBondContact OD1-CB 3.44Å; N335-Y338 PolarHBondContact OD1-N 2.86Å; Y338-Q340 VanDerWaalsContact C-N 3.31Å; Y338-Q340 PolarHBondContact O-N 3.47Å; Y338-S341 PolarHBondContact O-N 2.92Å; Y338-S341 VanDerWaalsContact O-N 3.09Å; Y338-V342 HydrophobicContact CD2-CG2 4.17Å; Y338-V342 HydrophobicContact CE1-CG2 4.36Å; Y338-V342 HydrophobicContact CE2-CG2 3.86Å; Y338-V342 WeakPolarHBondContact O-CG2 3.18Å; Y338-V342 PolarHBondContact O-N 2.87Å
339	T	88.3	Confident	85.1	Confident	29 Å²	29	55.6 Å²	55.6	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-54.5	-45.8	176.7	-62.9	0	0	0	0	111.5	I327 N335 S343	I327-T339 HydrophobicContact CD1-CG2 3.79Å; I327-T339 VanDerWaalsContact CD1-O 3.23Å; I327-T339 WeakPolarHBondContact CD1-O 3.4Å; I327-T339 HydrophobicContact CG1-CG2 3.27Å; N335-T339 PolarHBondContact O-N 3.14Å; T339-S343 WeakPolarHBondContact O-CB 3.24Å; T339-S343 PolarHBondContact O-N 3.27Å
340	Q	89.6	Confident	85.9	Confident	130 Å²	130	57 Å²	57	61%	0.607	31%	0.309	S	S	*	.	H	α-helix	trans	-64.7	-42.2	176.2	-72.1	171.1	18.4	0	0	112.7	D336 Q337 Y338 S343 K344	D336-Q340 WeakPolarHBondContact O-CB 3.13Å; D336-Q340 WeakPolarHBondContact O-CG 3.34Å; D336-Q340 PolarHBondContact O-N 2.81Å; Q337-Q340 PolarHBondContact O-N 3.14Å; Y338-Q340 VanDerWaalsContact C-N 3.31Å; Y338-Q340 PolarHBondContact O-N 3.47Å; Q340-S343 PolarHBondContact O-N 2.7Å; Q340-K344 WeakPolarHBondContact O-CB 3.38Å; Q340-K344 PolarHBondContact O-N 2.91Å
341	S	91.5	Very high	86.8	Confident	15 Å²	15	64.7 Å²	64.7	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-46.3	-179.2	-61.6	0	0	0	0	111.7	Q337 Y338 S343 K344 W345	Q337-S341 WeakPolarHBondContact O-CB 3.48Å; Q337-S341 PolarHBondContact O-N 3.29Å; Q337-S341 PolarHBondContact O-OG 3.42Å; Y338-S341 PolarHBondContact O-N 2.92Å; Y338-S341 VanDerWaalsContact O-N 3.09Å; S341-S343 PolarHBondContact O-N 2.67Å; S341-K344 PolarHBondContact O-N 2.68Å; S341-W345 VanDerWaalsContact O-CD1 3.27Å; S341-W345 PolarHBondContact O-N 3.37Å
342	V	93.2	Very high	88.2	Confident	13 Å²	13	61.1 Å²	61.1	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-44.5	175.2	175.1	0	0	0	0	110.5	I179 L183 M325 I327 L330 Y338 K344 W345 S346	I179-V342 HydrophobicContact CG2-CG2 4.32Å; L183-V342 HydrophobicContact CD1-CG2 3.82Å; M325-V342 HydrophobicContact CE-CG1 4.07Å; I327-V342 HydrophobicContact CD1-CB 4.45Å; I327-V342 HydrophobicContact CD1-CG1 4.45Å; L330-V342 HydrophobicContact CD1-CB 4.18Å; L330-V342 HydrophobicContact CD1-CG1 3.96Å; L330-V342 HydrophobicContact CD1-CG2 4.32Å; Y338-V342 HydrophobicContact CD2-CG2 4.17Å; Y338-V342 HydrophobicContact CE1-CG2 4.36Å; Y338-V342 HydrophobicContact CE2-CG2 3.86Å; Y338-V342 WeakPolarHBondContact O-CG2 3.18Å; Y338-V342 PolarHBondContact O-N 2.87Å; V342-K344 PolarHBondContact O-N 3.37Å; V342-W345 PolarHBondContact O-N 3.4Å; V342-S346 VanDerWaalsContact O-CB 3.24Å; V342-S346 WeakPolarHBondContact O-CB 3.27Å; V342-S346 PolarHBondContact O-N 2.91Å; V342-S346 PolarHBondContact O-OG 2.92Å
343	S	92.9	Very high	89.7	Confident	34 Å²	34	59.5 Å²	59.5	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177	-169.2	0	0	0	0	112.9	T339 Q340 S341 S346 K347	T339-S343 WeakPolarHBondContact O-CB 3.24Å; T339-S343 PolarHBondContact O-N 3.27Å; Q340-S343 PolarHBondContact O-N 2.7Å; S341-S343 PolarHBondContact O-N 2.67Å; S343-S346 WeakPolarHBondContact CA-OG 3.49Å; S343-S346 PolarHBondContact O-OG 3.35Å; S343-S346 VanDerWaalsContact O-OG 3.04Å; S343-K347 WeakPolarHBondContact O-CD 3.18Å; S343-K347 VanDerWaalsContact O-CG 3.26Å; S343-K347 WeakPolarHBondContact O-CG 3.33Å; S343-K347 PolarHBondContact O-N 2.89Å
344	K	95	Very high	91.3	Very high	96 Å²	96	63.3 Å²	63.3	42%	0.417	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-55	176.7	175.9	-171.4	169.6	-168.4	0	110.9	T187 Q340 S341 V342 K347 V348	T187-K344 PolarHBondContact OG1-NZ 3.41Å; Q340-K344 WeakPolarHBondContact O-CB 3.38Å; Q340-K344 PolarHBondContact O-N 2.91Å; S341-K344 PolarHBondContact O-N 2.68Å; V342-K344 PolarHBondContact O-N 3.37Å; K344-K347 WeakPolarHBondContact O-CB 3.48Å; K344-K347 PolarHBondContact O-N 3.35Å; K344-V348 PolarHBondContact O-N 2.96Å
345	W	97.1	Very high	92.8	Very high	20 Å²	20	65.4 Å²	65.4	8%	0.076	31%	0.311	C	S	.	.	H	α-helix	trans	-71.8	-37.4	-172.5	-75.4	113.7	0	0	0	113.2	L183 L186 T187 E289 S341 V342 K347 V348 W349	L183-W345 HydrophobicContact CD2-CB 4.08Å; L183-W345 HydrophobicContact CD2-CG 3.88Å; L183-W345 PolarHBondContact O-NE1 2.92Å; L186-W345 HydrophobicContact CB-CH2 4.43Å; L186-W345 HydrophobicContact CB-CZ2 3.86Å; L186-W345 HydrophobicContact CD2-CD2 3.68Å; L186-W345 HydrophobicContact CD2-CE3 3.67Å; L186-W345 HydrophobicContact CD2-CG 4.46Å; L186-W345 HydrophobicContact CD2-CH2 3.66Å; L186-W345 HydrophobicContact CD2-CZ2 3.63Å; L186-W345 HydrophobicContact CD2-CZ3 3.68Å; L186-W345 HydrophobicContact CG-CD2 4.43Å; L186-W345 HydrophobicContact CG-CE3 4.46Å; L186-W345 HydrophobicContact CG-CH2 3.52Å; L186-W345 HydrophobicContact CG-CZ2 3.43Å; L186-W345 VanDerWaalsContact CG-CZ2 3.43Å; L186-W345 HydrophobicContact CG-CZ3 4.05Å; T187-W345 PolarHBondContact OG1-NE1 2.91Å; E289-W345 HydrophobicContact CG-CE3 4.36Å; E289-W345 HydrophobicContact CG-CH2 4.33Å; E289-W345 HydrophobicContact CG-CZ3 3.65Å; S341-W345 VanDerWaalsContact O-CD1 3.27Å; S341-W345 PolarHBondContact O-N 3.37Å; V342-W345 PolarHBondContact O-N 3.4Å; W345-K347 VanDerWaalsContact C-N 3.25Å; W345-K347 PolarHBondContact O-N 2.99Å; W345-V348 HydrophobicContact CE3-CB 4.03Å; W345-V348 HydrophobicContact CE3-CG1 4.16Å; W345-V348 HydrophobicContact CE3-CG2 4.2Å; W345-V348 HydrophobicContact CZ3-CB 4.38Å; W345-V348 HydrophobicContact CZ3-CG1 4.09Å; W345-V348 HydrophobicContact CZ3-CG2 4.41Å; W345-V348 WeakPolarHBondContact O-CB 3.4Å; W345-V348 PolarHBondContact O-N 2.91Å; W345-W349 HydrophobicContact CB-CD2 4.37Å; W345-W349 HydrophobicContact CB-CE3 4.38Å; W345-W349 HydrophobicContact CB-CH2 4.07Å; W345-W349 HydrophobicContact CB-CZ2 4.01Å; W345-W349 HydrophobicContact CB-CZ3 4.23Å; W345-W349 HydrophobicContact CG-CZ2 4.48Å; W345-W349 VanDerWaalsContact O-CG 3.32Å; W345-W349 PolarHBondContact O-N 3.09Å
346	S	96.5	Very high	94	Very high	13 Å²	13	64.2 Å²	64.2	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-57.8	-35.6	170.7	57	0	0	0	0	112.9	V342 S343 R350	V342-S346 VanDerWaalsContact O-CB 3.24Å; V342-S346 WeakPolarHBondContact O-CB 3.27Å; V342-S346 PolarHBondContact O-N 2.91Å; V342-S346 PolarHBondContact O-OG 2.92Å; S343-S346 WeakPolarHBondContact CA-OG 3.49Å; S343-S346 PolarHBondContact O-OG 3.35Å; S343-S346 VanDerWaalsContact O-OG 3.04Å; S346-R350 WeakPolarHBondContact O-CB 3.44Å; S346-R350 VanDerWaalsContact O-CG 3.27Å; S346-R350 WeakPolarHBondContact O-CG 3.25Å; S346-R350 PolarHBondContact O-N 3.4Å; S346-R350 PolarHBondContact O-NE 3.32Å
347	K	97.1	Very high	94.9	Very high	102 Å²	102	58.8 Å²	58.8	44%	0.443	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-40.9	172.9	-72	168.3	-173.1	169.1	0	112	S343 K344 W345 R351	S343-K347 WeakPolarHBondContact O-CD 3.18Å; S343-K347 VanDerWaalsContact O-CG 3.26Å; S343-K347 WeakPolarHBondContact O-CG 3.33Å; S343-K347 PolarHBondContact O-N 2.89Å; K344-K347 WeakPolarHBondContact O-CB 3.48Å; K344-K347 PolarHBondContact O-N 3.35Å; W345-K347 VanDerWaalsContact C-N 3.25Å; W345-K347 PolarHBondContact O-N 2.99Å; K347-R351 WeakPolarHBondContact O-CG 3.44Å; K347-R351 PolarHBondContact O-N 2.99Å
348	V	98.2	Very high	95.6	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-52.4	176.5	174.8	0	0	0	0	110	K344 W345 R350 R351 R352	K344-V348 PolarHBondContact O-N 2.96Å; W345-V348 HydrophobicContact CE3-CB 4.03Å; W345-V348 HydrophobicContact CE3-CG1 4.16Å; W345-V348 HydrophobicContact CE3-CG2 4.2Å; W345-V348 HydrophobicContact CZ3-CB 4.38Å; W345-V348 HydrophobicContact CZ3-CG1 4.09Å; W345-V348 HydrophobicContact CZ3-CG2 4.41Å; W345-V348 WeakPolarHBondContact O-CB 3.4Å; W345-V348 PolarHBondContact O-N 2.91Å; V348-R350 VanDerWaalsContact C-N 3.33Å; V348-R350 PolarHBondContact O-N 2.98Å; V348-R351 WeakPolarHBondContact O-CA 3.26Å; V348-R351 WeakPolarHBondContact O-CB 3.1Å; V348-R351 PolarHBondContact O-N 3.36Å; V348-R352 HydrophobicContact CG1-CG 4.49Å; V348-R352 WeakPolarHBondContact O-CG 3.34Å; V348-R352 PolarHBondContact O-N 2.79Å
349	W	98.6	Very high	96.3	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-32.7	-178.2	-58.9	-31.6	0	0	0	113.1	L183 L186 V282 L285 L322 L323 W345 R351 R352 I353 F358	L183-W349 HydrophobicContact CD2-CH2 3.75Å; L183-W349 HydrophobicContact CD2-CZ2 4.14Å; L186-W349 HydrophobicContact CD2-CZ2 4.21Å; V282-W349 HydrophobicContact CG1-CH2 4.25Å; L285-W349 HydrophobicContact CB-CD2 4.1Å; L285-W349 HydrophobicContact CB-CE3 4.23Å; L285-W349 HydrophobicContact CB-CH2 3.77Å; L285-W349 HydrophobicContact CB-CZ2 3.65Å; L285-W349 HydrophobicContact CB-CZ3 4.08Å; L285-W349 HydrophobicContact CD1-CD2 4.3Å; L285-W349 HydrophobicContact CD1-CE3 3.76Å; L285-W349 HydrophobicContact CD1-CH2 4.26Å; L285-W349 HydrophobicContact CD1-CZ3 3.73Å; L285-W349 HydrophobicContact CD2-CD2 4.43Å; L285-W349 HydrophobicContact CG-CE3 4.44Å; L322-W349 HydrophobicContact CD2-CE3 4.2Å; L322-W349 HydrophobicContact CD2-CZ3 4Å; L323-W349 HydrophobicContact CD2-CB 3.59Å; L323-W349 HydrophobicContact CD2-CE3 4.06Å; W345-W349 HydrophobicContact CB-CD2 4.37Å; W345-W349 HydrophobicContact CB-CE3 4.38Å; W345-W349 HydrophobicContact CB-CH2 4.07Å; W345-W349 HydrophobicContact CB-CZ2 4.01Å; W345-W349 HydrophobicContact CB-CZ3 4.23Å; W345-W349 HydrophobicContact CG-CZ2 4.48Å; W345-W349 VanDerWaalsContact O-CG 3.32Å; W345-W349 PolarHBondContact O-N 3.09Å; W349-R351 VanDerWaalsContact C-N 3.3Å; W349-R351 PolarHBondContact O-N 2.97Å; W349-R352 WeakPolarHBondContact O-CB 3.36Å; W349-R352 PolarHBondContact O-N 2.82Å; W349-I353 WeakPolarHBondContact O-CG1 3.47Å; W349-I353 PolarHBondContact O-N 3.33Å; W349-F358 HydrophobicContact CB-CD2 4.28Å; W349-F358 HydrophobicContact CB-CE2 4.14Å; W349-F358 AromaticContact CD1-CE2 3.41Å; W349-F358 VanDerWaalsContact CD1-CE2 3.41Å; W349-F358 HydrophobicContact CG-CD2 4.49Å; W349-F358 AromaticContact CG-CE2 3.87Å; W349-F358 HydrophobicContact CG-CE2 3.87Å
350	R	98.2	Very high	96.8	Very high	87 Å²	87	60 Å²	60	33%	0.328	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-38.8	169.3	-80.3	-174.5	-67.2	170.5	-6.7	112.6	L323 N324 S346 V348 I353 Q354	L323-R350 HydrophobicContact CB-CG 3.99Å; L323-R350 HydrophobicContact CD1-CG 4.5Å; L323-R350 WeakPolarHBondContact O-CD 3.5Å; L323-R350 PolarHBondContact O-NE 3.48Å; N324-R350 WeakPolarHBondContact OD1-CD 3.27Å; S346-R350 WeakPolarHBondContact O-CB 3.44Å; S346-R350 VanDerWaalsContact O-CG 3.27Å; S346-R350 WeakPolarHBondContact O-CG 3.25Å; S346-R350 PolarHBondContact O-N 3.4Å; S346-R350 PolarHBondContact O-NE 3.32Å; V348-R350 VanDerWaalsContact C-N 3.33Å; V348-R350 PolarHBondContact O-N 2.98Å; R350-I353 PolarHBondContact O-N 3.17Å; R350-Q354 VanDerWaalsContact O-CG 3.24Å; R350-Q354 WeakPolarHBondContact O-CG 3.32Å; R350-Q354 PolarHBondContact O-N 3.26Å
351	R	98.4	Very high	97.2	Very high	162 Å²	162	56.7 Å²	56.7	61%	0.611	27%	0.265	S	S	*	.	H	α-helix	trans	-66.6	-40.3	173.7	-67.7	173.4	-175.6	160	-0.4	111.3	K347 V348 W349 I353 Q354 D355	K347-R351 WeakPolarHBondContact O-CG 3.44Å; K347-R351 PolarHBondContact O-N 2.99Å; V348-R351 WeakPolarHBondContact O-CA 3.26Å; V348-R351 WeakPolarHBondContact O-CB 3.1Å; V348-R351 PolarHBondContact O-N 3.36Å; W349-R351 VanDerWaalsContact C-N 3.3Å; W349-R351 PolarHBondContact O-N 2.97Å; R351-I353 VanDerWaalsContact C-N 3.26Å; R351-I353 PolarHBondContact O-N 3.47Å; R351-Q354 WeakPolarHBondContact O-CB 3.45Å; R351-Q354 PolarHBondContact O-N 2.93Å; R351-Q354 VanDerWaalsContact O-N 3.08Å; R351-D355 VanDerWaalsContact O-CG 3.25Å; R351-D355 PolarHBondContact O-N 3.36Å
352	R	98.5	Very high	97.5	Very high	58 Å²	58	59.6 Å²	59.6	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-58.1	-37.4	173.5	-60.3	-67.4	-172.8	-170.7	2.9	112.5	E289 V348 W349 D355 S356 S357 F358	E289-R352 IonicContact OE1-CZ 2.81Å; E289-R352 IonicContact OE1-NE 3.55Å; E289-R352 PolarHBondContact OE1-NE 3.39Å; E289-R352 IonicContact OE1-NH2 3.47Å; E289-R352 PolarHBondContact OE1-NH2 2.84Å; E289-R352 IonicContact OE2-NE 3.81Å; E289-R352 PolarHBondContact OE2-NE 3.32Å; E289-R352 VanDerWaalsContact OE2-NE 3.15Å; V348-R352 HydrophobicContact CG1-CG 4.49Å; V348-R352 WeakPolarHBondContact O-CG 3.34Å; V348-R352 PolarHBondContact O-N 2.79Å; W349-R352 WeakPolarHBondContact O-CB 3.36Å; W349-R352 PolarHBondContact O-N 2.82Å; R352-D355 WeakPolarHBondContact CA-OD1 3.34Å; R352-S356 PolarHBondContact O-N 2.96Å; R352-S357 WeakPolarHBondContact CA-OG 3.27Å; R352-S357 WeakPolarHBondContact CD-OG 3.14Å; R352-S357 PolarHBondContact O-N 3.38Å; R352-S357 PolarHBondContact O-OG 3.27Å; R352-F358 HydrophobicContact CB-CB 3.74Å; R352-F358 HydrophobicContact CB-CD1 3.99Å; R352-F358 HydrophobicContact CB-CD2 3.63Å; R352-F358 HydrophobicContact CB-CE2 4.23Å; R352-F358 HydrophobicContact CB-CG 3.48Å; R352-F358 VanDerWaalsContact CB-CG 3.48Å; R352-F358 HydrophobicContact CG-CD1 4.42Å; R352-F358 HydrophobicContact CG-CD2 4.18Å; R352-F358 HydrophobicContact CG-CE2 4.28Å; R352-F358 HydrophobicContact CG-CG 4.24Å; R352-F358 HydrophobicContact CG-CZ 4.42Å; R352-F358 PolarHBondContact O-N 3.27Å
353	I	98.4	Very high	97.7	Very high	55 Å²	55	59.5 Å²	59.5	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-68.8	-44.3	174	-66.1	-71	0	0	0	110.7	F319 L323 W349 R350 R351 D355 S356 F358	F319-I353 HydrophobicContact CE1-CD1 3.73Å; F319-I353 HydrophobicContact CE1-CG1 4.3Å; F319-I353 HydrophobicContact CZ-CD1 4.11Å; L323-I353 HydrophobicContact CD1-CG1 3.91Å; W349-I353 WeakPolarHBondContact O-CG1 3.47Å; W349-I353 PolarHBondContact O-N 3.33Å; R350-I353 PolarHBondContact O-N 3.17Å; R351-I353 VanDerWaalsContact C-N 3.26Å; R351-I353 PolarHBondContact O-N 3.47Å; I353-D355 VanDerWaalsContact C-N 3.35Å; I353-D355 PolarHBondContact O-N 2.97Å; I353-S356 PolarHBondContact O-N 3.47Å; I353-S356 VanDerWaalsContact O-N 3.16Å; I353-F358 HydrophobicContact CD1-CB 3.6Å; I353-F358 HydrophobicContact CG1-CB 4.1Å
354	Q	98.3	Very high	97.9	Very high	119 Å²	119	60.4 Å²	60.4	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-63.4	-37.5	-179.9	-71.4	168.8	-10.2	0	0	113.1	M1 R350 R351 S356	M1-Q354 HydrophobicContact CE-CG 4.12Å; M1-Q354 HydrophobicContact SD-CG 4.27Å; R350-Q354 VanDerWaalsContact O-CG 3.24Å; R350-Q354 WeakPolarHBondContact O-CG 3.32Å; R350-Q354 PolarHBondContact O-N 3.26Å; R351-Q354 WeakPolarHBondContact O-CB 3.45Å; R351-Q354 PolarHBondContact O-N 2.93Å; R351-Q354 VanDerWaalsContact O-N 3.08Å; Q354-S356 VanDerWaalsContact C-N 3.31Å
355	D	98.2	Very high	98	Very high	94 Å²	94	55.8 Å²	55.8	50%	0.503	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.8	177.2	69.8	23.9	0	0	0	113.5	R351 R352 I353 S357	R351-D355 VanDerWaalsContact O-CG 3.25Å; R351-D355 PolarHBondContact O-N 3.36Å; R352-D355 WeakPolarHBondContact CA-OD1 3.34Å; I353-D355 VanDerWaalsContact C-N 3.35Å; I353-D355 PolarHBondContact O-N 2.97Å; D355-S357 PolarHBondContact O-N 3.08Å; D355-S357 WeakPolarHBondContact OD1-CB 3.19Å; D355-S357 PolarHBondContact OD1-N 3.04Å; D355-S357 PolarHBondContact OD1-OG 3.41Å
356	S	98.2	Very high	98.1	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	15	-179.8	-55.5	0	0	0	0	115.6	R352 I353 Q354 R359	R352-S356 PolarHBondContact O-N 2.96Å; I353-S356 PolarHBondContact O-N 3.47Å; I353-S356 VanDerWaalsContact O-N 3.16Å; Q354-S356 VanDerWaalsContact C-N 3.31Å; S356-R359 WeakPolarHBondContact O-CG 3.41Å; S356-R359 PolarHBondContact O-NE 3.1Å
357	S	98.4	Very high	98.1	Very high	15 Å²	15	54.3 Å²	54.3	11%	0.105	25%	0.253	C	S	.	.	S	Bend	trans	-74.7	-28.3	169.2	63.4	0	0	0	0	112	Y299 V300 R352 D355	Y299-S357 CarbonylContact C-O 3.57Å; Y299-S357 VanDerWaalsContact CA-O 3.22Å; Y299-S357 WeakPolarHBondContact CA-O 3.45Å; Y299-S357 WeakPolarHBondContact CB-O 3.18Å; V300-S357 PolarHBondContact N-O 2.8Å; R352-S357 WeakPolarHBondContact CA-OG 3.27Å; R352-S357 WeakPolarHBondContact CD-OG 3.14Å; R352-S357 PolarHBondContact O-N 3.38Å; R352-S357 PolarHBondContact O-OG 3.27Å; D355-S357 PolarHBondContact O-N 3.08Å; D355-S357 WeakPolarHBondContact OD1-CB 3.19Å; D355-S357 PolarHBondContact OD1-N 3.04Å; D355-S357 PolarHBondContact OD1-OG 3.41Å
358	F	98.8	Very high	98.2	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.2	157.1	-75.7	0.8	0	0	0	109.2	L285 A288 E289 L292 V300 F302 W349 R352 I353	L285-F358 HydrophobicContact CD2-CD2 4.01Å; L285-F358 HydrophobicContact CD2-CE2 3.69Å; A288-F358 HydrophobicContact CB-CD1 4.46Å; A288-F358 HydrophobicContact CB-CE1 3.53Å; A288-F358 HydrophobicContact CB-CE2 4.45Å; A288-F358 HydrophobicContact CB-CZ 3.53Å; E289-F358 HydrophobicContact CB-CZ 4.24Å; L292-F358 HydrophobicContact CD1-CD1 3.56Å; L292-F358 HydrophobicContact CD1-CE1 3.33Å; L292-F358 HydrophobicContact CD1-CZ 4.38Å; L292-F358 HydrophobicContact CG-CE1 4.15Å; V300-F358 HydrophobicContact CB-CD1 4.21Å; V300-F358 HydrophobicContact CB-CE1 4.34Å; V300-F358 HydrophobicContact CG2-CE1 4.45Å; V300-F358 CarbonylContact O-C 3.51Å; V300-F358 WeakPolarHBondContact O-CA 3.36Å; F302-F358 HydrophobicContact CE2-CB 3.94Å; F302-F358 AromaticContact CE2-CD1 3.98Å; F302-F358 HydrophobicContact CE2-CD1 3.98Å; F302-F358 AromaticContact CE2-CD2 3.74Å; F302-F358 HydrophobicContact CE2-CD2 3.74Å; F302-F358 HydrophobicContact CE2-CE1 4.41Å; F302-F358 HydrophobicContact CE2-CE2 4.18Å; F302-F358 AromaticContact CE2-CG 3.64Å; F302-F358 HydrophobicContact CE2-CG 3.64Å; F302-F358 HydrophobicContact CZ-CD1 4.39Å; F302-F358 HydrophobicContact CZ-CD2 4.18Å; F302-F358 HydrophobicContact CZ-CE1 4.38Å; F302-F358 HydrophobicContact CZ-CE2 4.15Å; F302-F358 HydrophobicContact CZ-CG 4.32Å; F302-F358 HydrophobicContact CZ-CZ 4.27Å; W349-F358 HydrophobicContact CB-CD2 4.28Å; W349-F358 HydrophobicContact CB-CE2 4.14Å; W349-F358 AromaticContact CD1-CE2 3.41Å; W349-F358 VanDerWaalsContact CD1-CE2 3.41Å; W349-F358 HydrophobicContact CG-CD2 4.49Å; W349-F358 AromaticContact CG-CE2 3.87Å; W349-F358 HydrophobicContact CG-CE2 3.87Å; R352-F358 HydrophobicContact CB-CB 3.74Å; R352-F358 HydrophobicContact CB-CD1 3.99Å; R352-F358 HydrophobicContact CB-CD2 3.63Å; R352-F358 HydrophobicContact CB-CE2 4.23Å; R352-F358 HydrophobicContact CB-CG 3.48Å; R352-F358 VanDerWaalsContact CB-CG 3.48Å; R352-F358 HydrophobicContact CG-CD1 4.42Å; R352-F358 HydrophobicContact CG-CD2 4.18Å; R352-F358 HydrophobicContact CG-CE2 4.28Å; R352-F358 HydrophobicContact CG-CG 4.24Å; R352-F358 HydrophobicContact CG-CZ 4.42Å; R352-F358 PolarHBondContact O-N 3.27Å; I353-F358 HydrophobicContact CD1-CB 3.6Å; I353-F358 HydrophobicContact CG1-CB 4.1Å
359	R	98.5	Very high	98.1	Very high	85 Å²	85	48.4 Å²	48.4	32%	0.321	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.2	178	-56.4	177.2	-172.2	177.1	-0.8	109.1	Y299 V300 S301 F302 S356	Y299-R359 VanDerWaalsContact CZ-NH1 3.32Å; V300-R359 PolarHBondContact O-N 3.09Å; S301-R359 CarbonylContact C-O 3.56Å; S301-R359 WeakPolarHBondContact CA-O 3.36Å; F302-R359 WeakPolarHBondContact CD2-O 3.48Å; F302-R359 PolarHBondContact N-O 2.81Å; S356-R359 WeakPolarHBondContact O-CG 3.41Å; S356-R359 PolarHBondContact O-NE 3.1Å
360	F	98.5	Very high	98.1	Very high	60 Å²	60	48.2 Å²	48.2	26%	0.263	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.2	171.4	-169.9	-91.9	0	0	0	108.9	L274 F302 V314 G316 F319 T362	L274-F360 HydrophobicContact CD1-CE2 4.21Å; F302-F360 HydrophobicContact CB-CD2 4.04Å; F302-F360 CarbonylContact O-C 3.55Å; F302-F360 WeakPolarHBondContact O-CA 3.35Å; V314-F360 HydrophobicContact CG1-CE2 4.26Å; G316-F360 VanDerWaalsContact CA-CZ 3.43Å; F319-F360 HydrophobicContact CB-CD2 3.94Å; F319-F360 HydrophobicContact CB-CE2 3.67Å; F319-F360 HydrophobicContact CB-CZ 4.27Å; F319-F360 HydrophobicContact CD1-CB 4.49Å; F319-F360 AromaticContact CD1-CD2 3.87Å; F319-F360 HydrophobicContact CD1-CD2 3.87Å; F319-F360 HydrophobicContact CD1-CE2 4.48Å; F319-F360 HydrophobicContact CD1-CG 4.35Å; F319-F360 AromaticContact CD2-CD2 3.57Å; F319-F360 HydrophobicContact CD2-CD2 3.57Å; F319-F360 AromaticContact CD2-CE2 3.73Å; F319-F360 HydrophobicContact CD2-CE2 3.73Å; F319-F360 HydrophobicContact CE1-CB 4.43Å; F319-F360 HydrophobicContact CE1-CD2 4.25Å; F319-F360 AromaticContact CE2-CD2 3.99Å; F319-F360 HydrophobicContact CE2-CD2 3.99Å; F319-F360 AromaticContact CG-CD2 3.52Å; F319-F360 HydrophobicContact CG-CD2 3.52Å; F319-F360 AromaticContact CG-CE2 3.72Å; F319-F360 HydrophobicContact CG-CE2 3.72Å; F319-F360 HydrophobicContact CG-CG 4.37Å; F319-F360 HydrophobicContact CZ-CD2 4.31Å; F360-T362 HydrophobicContact CD1-CG2 4.28Å; F360-T362 HydrophobicContact CE1-CG2 3.51Å; F360-T362 HydrophobicContact CZ-CG2 4.22Å
361	K	98.2	Very high	98	Very high	60 Å²	60	45 Å²	45	26%	0.261	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.2	179.6	-67.5	-171	172.5	-171	0	109.6	F302 H303 G304 N385	F302-K361 PolarHBondContact O-N 2.56Å; H303-K361 WeakPolarHBondContact CA-O 3.44Å; G304-K361 PolarHBondContact N-O 2.67Å; K361-N385 PolarHBondContact NZ-OD1 2.78Å
362	T	97.6	Very high	98	Very high	75 Å²	75	37.5 Å²	37.5	46%	0.46	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.2	171.4	56.9	0	0	0	0	109.3	F360	F360-T362 HydrophobicContact CD1-CG2 4.28Å; F360-T362 HydrophobicContact CE1-CG2 3.51Å; F360-T362 HydrophobicContact CZ-CG2 4.22Å
363	S	97.5	Very high	97.8	Very high	11 Å²	11	37.6 Å²	37.6	8%	0.077	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.3	167.5	160.2	0	0	0	0	107.1	S306 F365 W366 D379	S306-S363 PolarHBondContact OG-O 3.19Å; S363-F365 PolarHBondContact O-N 2.94Å; S363-F365 VanDerWaalsContact OG-CB 3.25Å; S363-F365 WeakPolarHBondContact OG-CB 3.25Å; S363-F365 PolarHBondContact OG-N 2.99Å; S363-W366 PolarHBondContact O-N 3.27Å; S363-D379 WeakPolarHBondContact CB-OD2 3.46Å; S363-D379 PolarHBondContact OG-OD2 3.49Å
364	Y	96.8	Very high	97.7	Very high	53 Å²	53	36.7 Å²	36.7	21%	0.208	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.1	-25.4	174.4	69.2	-95.4	0	0	0	111.6	E103 L106 W366 T367 T368 V378	E103-Y364 HydrophobicContact CB-CD2 4.3Å; E103-Y364 HydrophobicContact CB-CG 4.35Å; E103-Y364 HydrophobicContact CG-CD2 4.23Å; E103-Y364 HydrophobicContact CG-CG 4.4Å; L106-Y364 HydrophobicContact CD2-CD2 4.45Å; L106-Y364 HydrophobicContact CD2-CE2 3.92Å; Y364-W366 PolarHBondContact O-N 2.82Å; Y364-T367 CarbonylContact O-C 3.54Å; Y364-T367 PolarHBondContact O-N 2.95Å; Y364-T367 PolarHBondContact O-OG1 3.42Å; Y364-T368 HydrophobicContact CD2-CG2 4.38Å; Y364-V378 HydrophobicContact CE2-CG1 4.06Å; Y364-V378 PolarHBondContact OH-O 3.43Å
365	F	98.3	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-53.3	-40.1	176.8	177.4	-89.6	0	0	0	112.2	S363 T367 T368 C370 Y372 I375 V378 D379 L382	S363-F365 PolarHBondContact O-N 2.94Å; S363-F365 VanDerWaalsContact OG-CB 3.25Å; S363-F365 WeakPolarHBondContact OG-CB 3.25Å; S363-F365 PolarHBondContact OG-N 2.99Å; F365-T367 PolarHBondContact O-N 3.27Å; F365-T367 VanDerWaalsContact O-N 3.1Å; F365-T368 WeakPolarHBondContact O-CB 3.47Å; F365-T368 PolarHBondContact O-N 3.29Å; F365-T368 VanDerWaalsContact O-N 3.1Å; F365-T368 PolarHBondContact O-OG1 2.96Å; F365-C370 HydrophobicContact CE2-CB 3.8Å; F365-C370 HydrophobicContact CZ-CB 4.21Å; F365-Y372 AromaticContact CE1-CD1 3.6Å; F365-Y372 HydrophobicContact CE1-CD1 3.6Å; F365-Y372 AromaticContact CE1-CE1 3.85Å; F365-Y372 HydrophobicContact CE1-CE1 3.85Å; F365-Y372 AromaticContact CZ-CD1 4Å; F365-Y372 HydrophobicContact CZ-CD1 4Å; F365-I375 HydrophobicContact CD1-CG1 4.12Å; F365-I375 HydrophobicContact CE1-CB 4.5Å; F365-I375 HydrophobicContact CE1-CD1 4.2Å; F365-I375 HydrophobicContact CE1-CG1 3.41Å; F365-I375 VanDerWaalsContact CE1-CG1 3.41Å; F365-I375 HydrophobicContact CE2-CB 4.4Å; F365-I375 HydrophobicContact CE2-CG1 4Å; F365-I375 HydrophobicContact CZ-CB 4.21Å; F365-I375 HydrophobicContact CZ-CD1 4.48Å; F365-I375 HydrophobicContact CZ-CG1 3.34Å; F365-V378 HydrophobicContact CD2-CB 3.76Å; F365-V378 HydrophobicContact CD2-CG1 3.68Å; F365-V378 HydrophobicContact CE2-CB 4.01Å; F365-V378 HydrophobicContact CE2-CG1 4.31Å; F365-V378 HydrophobicContact CE2-CG2 4.36Å; F365-D379 HydrophobicContact CB-CB 4.1Å; F365-L382 HydrophobicContact CB-CD2 3.89Å; F365-L382 HydrophobicContact CD1-CD2 3.87Å; F365-L382 HydrophobicContact CG-CD2 4.05Å
366	W	98.3	Very high	97.6	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.6	-179.4	-57.3	134.2	0	0	0	113.4	I273 H303 K305 S363 Y364 Y372 L382 L386 F395 K403	I273-W366 HydrophobicContact CD1-CH2 3.84Å; I273-W366 HydrophobicContact CD1-CZ2 3.71Å; I273-W366 HydrophobicContact CG1-CH2 4.14Å; I273-W366 HydrophobicContact CG1-CZ2 4.45Å; I273-W366 HydrophobicContact CG2-CD2 4.35Å; I273-W366 HydrophobicContact CG2-CE3 4.08Å; I273-W366 HydrophobicContact CG2-CH2 4.09Å; I273-W366 HydrophobicContact CG2-CZ2 4.32Å; I273-W366 HydrophobicContact CG2-CZ3 3.97Å; H303-W366 HydrophobicContact CB-CZ2 4.19Å; H303-W366 AromaticContact ND1-CZ2 3.74Å; H303-W366 AromaticContact ND1-NE1 3.73Å; K305-W366 HydrophobicContact CD-CB 3.93Å; S363-W366 PolarHBondContact O-N 3.27Å; Y364-W366 PolarHBondContact O-N 2.82Å; W366-Y372 AromaticContact CE3-CE1 3.98Å; W366-Y372 HydrophobicContact CE3-CE1 3.98Å; W366-Y372 HydrophobicContact CZ3-CD1 4.22Å; W366-Y372 AromaticContact CZ3-CE1 3.65Å; W366-Y372 HydrophobicContact CZ3-CE1 3.65Å; W366-L382 HydrophobicContact CD2-CD2 4.38Å; W366-L382 HydrophobicContact CH2-CD2 3.95Å; W366-L382 HydrophobicContact CZ2-CD1 3.73Å; W366-L382 HydrophobicContact CZ2-CD2 3.63Å; W366-L382 HydrophobicContact CZ2-CG 4.19Å; W366-L382 HydrophobicContact CZ3-CD2 4.44Å; W366-L386 HydrophobicContact CH2-CD1 3.97Å; W366-L386 HydrophobicContact CZ2-CD1 4.3Å; W366-F395 HydrophobicContact CH2-CE1 4.28Å; W366-F395 HydrophobicContact CZ3-CE1 4.09Å; W366-K403 PolarHBondContact O-NZ 3.2Å
367	T	98	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-107.8	30.6	-179.7	54.2	0	0	0	0	112.4	W107 K305 I307 W309 Y364 F365	W107-T367 VanDerWaalsContact CZ2-O 3.3Å; W107-T367 WeakPolarHBondContact CZ2-O 3.34Å; W107-T367 PolarHBondContact NE1-O 3.26Å; K305-T367 HydrophobicContact CB-CG2 3.73Å; K305-T367 HydrophobicContact CD-CG2 4.46Å; K305-T367 HydrophobicContact CG-CG2 4.45Å; I307-T367 HydrophobicContact CG1-CG2 3.76Å; W309-T367 HydrophobicContact CB-CG2 4.03Å; W309-T367 HydrophobicContact CD2-CG2 3.75Å; W309-T367 HydrophobicContact CE3-CG2 3.9Å; W309-T367 HydrophobicContact CG-CG2 3.8Å; W309-T367 VanDerWaalsContact CH2-O 3.3Å; W309-T367 WeakPolarHBondContact CH2-O 3.33Å; W309-T367 WeakPolarHBondContact CZ3-O 3.48Å; Y364-T367 CarbonylContact O-C 3.54Å; Y364-T367 PolarHBondContact O-N 2.95Å; Y364-T367 PolarHBondContact O-OG1 3.42Å; F365-T367 PolarHBondContact O-N 3.27Å; F365-T367 VanDerWaalsContact O-N 3.1Å
368	T	97.9	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-105.3	175.7	168.9	67.7	0	0	0	0	111.3	L106 W107 Y364 F365 C370 K403	L106-T368 HydrophobicContact CD2-CG2 3.83Å; W107-T368 VanDerWaalsContact CZ2-CA 3.47Å; Y364-T368 HydrophobicContact CD2-CG2 4.38Å; F365-T368 WeakPolarHBondContact O-CB 3.47Å; F365-T368 PolarHBondContact O-N 3.29Å; F365-T368 VanDerWaalsContact O-N 3.1Å; F365-T368 PolarHBondContact O-OG1 2.96Å; T368-C370 WeakPolarHBondContact OG1-CB 3.5Å; T368-C370 PolarHBondContact OG1-N 3.35Å; T368-K403 WeakPolarHBondContact O-CE 3.23Å; T368-K403 PolarHBondContact O-NZ 2.93Å
369	S	96.6	Very high	97.3	Very high	13 Å²	13	31.3 Å²	31.3	9%	0.091	16%	0.158	C	C	.	.	S	Bend	trans	-86.5	-4.7	167.2	53.7	0	0	0	0	113.8	F140	F140-S369 VanDerWaalsContact CD2-OG 3.23Å; F140-S369 WeakPolarHBondContact CD2-OG 3.49Å; F140-S369 VanDerWaalsContact CE2-OG 3.25Å; F140-S369 WeakPolarHBondContact CE2-OG 3.4Å
370	C	97.9	Very high	97.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.02	16%	0.162	C	C	.	.			trans	-64.6	148.4	-176.1	-63.3	0	0	0	0	112.9	F365 T368 E374 K403	F365-C370 HydrophobicContact CE2-CB 3.8Å; F365-C370 HydrophobicContact CZ-CB 4.21Å; T368-C370 WeakPolarHBondContact OG1-CB 3.5Å; T368-C370 PolarHBondContact OG1-N 3.35Å; C370-E374 WeakPolarHBondContact CA-OE2 3.45Å; C370-E374 HydrophobicContact CB-CB 4.29Å; C370-E374 VanDerWaalsContact CB-OE2 3.3Å; C370-E374 WeakPolarHBondContact CB-OE2 3.39Å; C370-K403 WeakPolarHBondContact O-CD 3.48Å
371	T	97.3	Very high	97.2	Very high	20 Å²	20	29.8 Å²	29.8	12%	0.123	17%	0.171	C	C	.	.			trans	-90.6	162.3	177.9	56.9	0	0	0	0	110.3	D373 E374 K403	T371-D373 VanDerWaalsContact C-N 3.26Å; T371-D373 WeakPolarHBondContact CB-OD1 3.31Å; T371-D373 PolarHBondContact O-N 3.49Å; T371-D373 PolarHBondContact OG1-OD1 3.29Å; T371-E374 PolarHBondContact N-OE2 3.25Å; T371-E374 WeakPolarHBondContact O-CB 3.42Å; T371-E374 PolarHBondContact O-N 2.9Å; T371-E374 PolarHBondContact OG1-OE2 2.73Å; T371-K403 WeakPolarHBondContact CB-O 3.26Å
372	Y	97.5	Very high	97.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.016	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-77.1	-9.7	-167.4	-62.7	-27.8	0	0	0	115.6	F365 W366 E374 I375 F395 N400 K403 L404	F365-Y372 AromaticContact CE1-CD1 3.6Å; F365-Y372 HydrophobicContact CE1-CD1 3.6Å; F365-Y372 AromaticContact CE1-CE1 3.85Å; F365-Y372 HydrophobicContact CE1-CE1 3.85Å; F365-Y372 AromaticContact CZ-CD1 4Å; F365-Y372 HydrophobicContact CZ-CD1 4Å; W366-Y372 AromaticContact CE3-CE1 3.98Å; W366-Y372 HydrophobicContact CE3-CE1 3.98Å; W366-Y372 HydrophobicContact CZ3-CD1 4.22Å; W366-Y372 AromaticContact CZ3-CE1 3.65Å; W366-Y372 HydrophobicContact CZ3-CE1 3.65Å; Y372-E374 PolarHBondContact O-N 2.89Å; Y372-I375 HydrophobicContact CD1-CD1 4.21Å; Y372-I375 HydrophobicContact CD1-CG1 4.41Å; Y372-I375 HydrophobicContact CG-CD1 4.27Å; Y372-I375 WeakPolarHBondContact O-CD1 3.27Å; Y372-I375 WeakPolarHBondContact O-CG1 3.35Å; Y372-F395 HydrophobicContact CD1-CE1 4.42Å; Y372-F395 AromaticContact CD2-CD1 3.85Å; Y372-F395 HydrophobicContact CD2-CD1 3.85Å; Y372-F395 AromaticContact CD2-CE1 3.39Å; Y372-F395 HydrophobicContact CD2-CE1 3.39Å; Y372-F395 HydrophobicContact CD2-CE2 4.41Å; Y372-F395 AromaticContact CD2-CZ 3.71Å; Y372-F395 HydrophobicContact CD2-CZ 3.71Å; Y372-F395 HydrophobicContact CE1-CE1 4.12Å; Y372-F395 AromaticContact CE2-CD1 3.14Å; Y372-F395 HydrophobicContact CE2-CD1 3.14Å; Y372-F395 AromaticContact CE2-CE1 3.04Å; Y372-F395 HydrophobicContact CE2-CE1 3.04Å; Y372-F395 HydrophobicContact CE2-CG 4Å; Y372-F395 AromaticContact CE2-CZ 3.85Å; Y372-F395 HydrophobicContact CE2-CZ 3.85Å; Y372-F395 HydrophobicContact CG-CE1 4.08Å; Y372-F395 HydrophobicContact CG-CZ 4.26Å; Y372-F395 AromaticContact CZ-CD1 3.65Å; Y372-F395 AromaticContact CZ-CE1 3.41Å; Y372-F395 VanDerWaalsContact CZ-CE1 3.41Å; Y372-N400 HydrophobicContact CE2-CB 4.1Å; Y372-N400 WeakPolarHBondContact CE2-O 3.37Å; Y372-N400 WeakPolarHBondContact OH-CA 3.47Å; Y372-N400 WeakPolarHBondContact OH-CB 3.08Å; Y372-N400 PolarHBondContact OH-OD1 2.93Å; Y372-K403 HydrophobicContact CD1-CB 4.06Å; Y372-K403 HydrophobicContact CD1-CD 4.49Å; Y372-K403 HydrophobicContact CD2-CB 4.1Å; Y372-K403 HydrophobicContact CE1-CB 3.84Å; Y372-K403 HydrophobicContact CE1-CD 3.76Å; Y372-K403 HydrophobicContact CE1-CG 4.46Å; Y372-K403 HydrophobicContact CE2-CB 3.82Å; Y372-K403 HydrophobicContact CG-CB 4.23Å; Y372-K403 PolarHBondContact N-O 2.93Å; Y372-K403 VanDerWaalsContact N-O 3.14Å; Y372-L404 HydrophobicContact CD2-CB 4.26Å; Y372-L404 HydrophobicContact CD2-CD2 3.59Å; Y372-L404 HydrophobicContact CD2-CG 3.53Å; Y372-L404 HydrophobicContact CE2-CD2 4.28Å; Y372-L404 HydrophobicContact CE2-CG 3.84Å
373	D	95.2	Very high	97.2	Very high	59 Å²	59	25.7 Å²	25.7	32%	0.316	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-71.2	-12.7	164.3	55.5	-42.7	0	0	0	113.1	T371 R424	T371-D373 VanDerWaalsContact C-N 3.26Å; T371-D373 WeakPolarHBondContact CB-OD1 3.31Å; T371-D373 PolarHBondContact O-N 3.49Å; T371-D373 PolarHBondContact OG1-OD1 3.29Å; D373-R424 HydrophobicContact CB-CB 3.82Å; D373-R424 VanDerWaalsContact CB-O 3.25Å; D373-R424 WeakPolarHBondContact CB-O 3.39Å; D373-R424 IonicContact OD2-NH1 3.9Å
374	E	96.8	Very high	97.2	Very high	36 Å²	36	30 Å²	30	17%	0.168	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-98.4	-0.3	179.6	-54	178.6	105.5	0	0	113.3	C370 T371 Y372 E376 A377 V378	C370-E374 WeakPolarHBondContact CA-OE2 3.45Å; C370-E374 HydrophobicContact CB-CB 4.29Å; C370-E374 VanDerWaalsContact CB-OE2 3.3Å; C370-E374 WeakPolarHBondContact CB-OE2 3.39Å; T371-E374 PolarHBondContact N-OE2 3.25Å; T371-E374 WeakPolarHBondContact O-CB 3.42Å; T371-E374 PolarHBondContact O-N 2.9Å; T371-E374 PolarHBondContact OG1-OE2 2.73Å; Y372-E374 PolarHBondContact O-N 2.89Å; E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.16Å; E374-A377 PolarHBondContact O-N 3.25Å; E374-V378 HydrophobicContact CB-CG2 4.25Å; E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.13Å
375	I	97.7	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.1	-46.4	-176.4	-64.1	168.3	0	0	0	111	F365 Y372 A377 V378 D379 L382 Y383 L386 I427	F365-I375 HydrophobicContact CD1-CG1 4.12Å; F365-I375 HydrophobicContact CE1-CB 4.5Å; F365-I375 HydrophobicContact CE1-CD1 4.2Å; F365-I375 HydrophobicContact CE1-CG1 3.41Å; F365-I375 VanDerWaalsContact CE1-CG1 3.41Å; F365-I375 HydrophobicContact CE2-CB 4.4Å; F365-I375 HydrophobicContact CE2-CG1 4Å; F365-I375 HydrophobicContact CZ-CB 4.21Å; F365-I375 HydrophobicContact CZ-CD1 4.48Å; F365-I375 HydrophobicContact CZ-CG1 3.34Å; Y372-I375 HydrophobicContact CD1-CD1 4.21Å; Y372-I375 HydrophobicContact CD1-CG1 4.41Å; Y372-I375 HydrophobicContact CG-CD1 4.27Å; Y372-I375 WeakPolarHBondContact O-CD1 3.27Å; Y372-I375 WeakPolarHBondContact O-CG1 3.35Å; I375-A377 PolarHBondContact O-N 2.79Å; I375-V378 PolarHBondContact O-N 3.19Å; I375-D379 CarbonylContact O-C 3.52Å; I375-D379 WeakPolarHBondContact O-CA 3.35Å; I375-D379 PolarHBondContact O-N 2.96Å; I375-D379 VanDerWaalsContact O-O 3.09Å; I375-L382 HydrophobicContact CG2-CB 4.33Å; I375-L382 HydrophobicContact CG2-CD2 3.98Å; I375-L382 HydrophobicContact CG2-CG 3.98Å; I375-Y383 HydrophobicContact CB-CD2 4.31Å; I375-Y383 HydrophobicContact CG2-CD2 4.22Å; I375-L386 HydrophobicContact CD1-CD1 4.24Å; I375-I427 HydrophobicContact CD1-CD1 4.17Å
376	E	96.5	Very high	97.2	Very high	111 Å²	111	29.7 Å²	29.7	52%	0.519	17%	0.167	S	C	.	.	H	α-helix	trans	-64.3	-38.8	-177.2	-172.5	168.4	-158.3	0	0	113	E374 Y383	E374-E376 VanDerWaalsContact C-N 3.3Å; E374-E376 PolarHBondContact O-N 3.16Å; E376-Y383 HydrophobicContact CB-CD1 3.86Å; E376-Y383 HydrophobicContact CB-CD2 3.77Å; E376-Y383 HydrophobicContact CB-CE1 4.18Å; E376-Y383 HydrophobicContact CB-CE2 4.12Å; E376-Y383 HydrophobicContact CB-CG 3.63Å; E376-Y383 VanDerWaalsContact CD-CE1 3.41Å; E376-Y383 HydrophobicContact CG-CD1 3.67Å; E376-Y383 HydrophobicContact CG-CE1 3.97Å; E376-Y383 HydrophobicContact CG-CG 3.96Å
377	A	96	Very high	97.2	Very high	40 Å²	40	30.7 Å²	30.7	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-74.9	-32.5	-178.9	0	0	0	0	0	112.5	E374 I375	E374-A377 PolarHBondContact O-N 3.25Å; I375-A377 PolarHBondContact O-N 2.79Å
378	V	96.6	Very high	97	Very high	7 Å²	7	39 Å²	39	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-92.4	-46.2	-176.4	178.7	0	0	0	0	111.7	L106 Y364 F365 E374 I375	L106-V378 HydrophobicContact CD2-CG1 3.49Å; L106-V378 VanDerWaalsContact CD2-CG1 3.49Å; Y364-V378 HydrophobicContact CE2-CG1 4.06Å; Y364-V378 PolarHBondContact OH-O 3.43Å; F365-V378 HydrophobicContact CD2-CB 3.76Å; F365-V378 HydrophobicContact CD2-CG1 3.68Å; F365-V378 HydrophobicContact CE2-CB 4.01Å; F365-V378 HydrophobicContact CE2-CG1 4.31Å; F365-V378 HydrophobicContact CE2-CG2 4.36Å; E374-V378 HydrophobicContact CB-CG2 4.25Å; E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.13Å; I375-V378 PolarHBondContact O-N 3.19Å
379	D	96.6	Very high	96.9	Very high	20 Å²	20	41.8 Å²	41.8	11%	0.107	22%	0.221	C	C	.	.			trans	-136.8	81.4	-178.9	-172.5	-14.1	0	0	0	110.5	S363 F365 I375 S381 L382 Y383	S363-D379 WeakPolarHBondContact CB-OD2 3.46Å; S363-D379 PolarHBondContact OG-OD2 3.49Å; F365-D379 HydrophobicContact CB-CB 4.1Å; I375-D379 CarbonylContact O-C 3.52Å; I375-D379 WeakPolarHBondContact O-CA 3.35Å; I375-D379 PolarHBondContact O-N 2.96Å; I375-D379 VanDerWaalsContact O-O 3.09Å; D379-S381 PolarHBondContact O-N 3.32Å; D379-S381 PolarHBondContact OD1-N 2.91Å; D379-L382 HydrophobicContact CB-CB 3.91Å; D379-L382 PolarHBondContact O-N 2.99Å; D379-L382 VanDerWaalsContact O-N 3.16Å; D379-L382 PolarHBondContact OD1-N 3.04Å; D379-L382 WeakPolarHBondContact OD2-CB 3.42Å; D379-Y383 PolarHBondContact O-N 3.49Å
380	A	96.9	Very high	96.9	Very high	49 Å²	49	41.5 Å²	41.5	41%	0.405	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-30.8	179.1	0	0	0	0	0	113.1	Y383 Q384	A380-Y383 PolarHBondContact O-N 3.15Å; A380-Q384 WeakPolarHBondContact O-CB 3.42Å; A380-Q384 VanDerWaalsContact O-CG 3.26Å; A380-Q384 WeakPolarHBondContact O-CG 3.34Å; A380-Q384 PolarHBondContact O-N 3.39Å
381	S	97.4	Very high	96.9	Very high	63 Å²	63	42.5 Å²	42.5	44%	0.441	22%	0.224	S	C	.	.	H	α-helix	trans	-68.7	-46.2	177.5	-176.7	0	0	0	0	110.9	D379 Y383 Q384 N385	D379-S381 PolarHBondContact O-N 3.32Å; D379-S381 PolarHBondContact OD1-N 2.91Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.23Å; S381-Q384 PolarHBondContact O-N 3.37Å; S381-N385 PolarHBondContact O-N 3.24Å; S381-N385 PolarHBondContact O-ND2 2.86Å
382	L	98.1	Very high	96.9	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-45	173.5	175.5	62.3	0	0	0	111.2	F365 W366 I375 D379 Q384 N385 L386	F365-L382 HydrophobicContact CB-CD2 3.89Å; F365-L382 HydrophobicContact CD1-CD2 3.87Å; F365-L382 HydrophobicContact CG-CD2 4.05Å; W366-L382 HydrophobicContact CD2-CD2 4.38Å; W366-L382 HydrophobicContact CH2-CD2 3.95Å; W366-L382 HydrophobicContact CZ2-CD1 3.73Å; W366-L382 HydrophobicContact CZ2-CD2 3.63Å; W366-L382 HydrophobicContact CZ2-CG 4.19Å; W366-L382 HydrophobicContact CZ3-CD2 4.44Å; I375-L382 HydrophobicContact CG2-CB 4.33Å; I375-L382 HydrophobicContact CG2-CD2 3.98Å; I375-L382 HydrophobicContact CG2-CG 3.98Å; D379-L382 HydrophobicContact CB-CB 3.91Å; D379-L382 PolarHBondContact O-N 2.99Å; D379-L382 VanDerWaalsContact O-N 3.16Å; D379-L382 PolarHBondContact OD1-N 3.04Å; D379-L382 WeakPolarHBondContact OD2-CB 3.42Å; L382-Q384 VanDerWaalsContact C-N 3.33Å; L382-Q384 PolarHBondContact O-N 3.32Å; L382-N385 WeakPolarHBondContact O-CB 3.47Å; L382-N385 PolarHBondContact O-N 2.94Å; L382-L386 HydrophobicContact CD1-CD1 3.95Å; L382-L386 HydrophobicContact CD1-CG 3.99Å; L382-L386 HydrophobicContact CG-CD1 3.99Å; L382-L386 HydrophobicContact CG-CG 4.41Å; L382-L386 WeakPolarHBondContact O-CG 3.3Å; L382-L386 PolarHBondContact O-N 3.22Å
383	Y	98	Very high	97	Very high	39 Å²	39	41.3 Å²	41.3	15%	0.153	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-46	177.3	-174.5	-104.5	0	0	0	112	I375 E376 D379 A380 S381 L386 S387 I427 G428	I375-Y383 HydrophobicContact CB-CD2 4.31Å; I375-Y383 HydrophobicContact CG2-CD2 4.22Å; E376-Y383 HydrophobicContact CB-CD1 3.86Å; E376-Y383 HydrophobicContact CB-CD2 3.77Å; E376-Y383 HydrophobicContact CB-CE1 4.18Å; E376-Y383 HydrophobicContact CB-CE2 4.12Å; E376-Y383 HydrophobicContact CB-CG 3.63Å; E376-Y383 VanDerWaalsContact CD-CE1 3.41Å; E376-Y383 HydrophobicContact CG-CD1 3.67Å; E376-Y383 HydrophobicContact CG-CE1 3.97Å; E376-Y383 HydrophobicContact CG-CG 3.96Å; D379-Y383 PolarHBondContact O-N 3.49Å; A380-Y383 PolarHBondContact O-N 3.15Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.23Å; Y383-L386 PolarHBondContact O-N 3.41Å; Y383-S387 WeakPolarHBondContact O-CB 3.44Å; Y383-S387 PolarHBondContact O-N 3.49Å; Y383-S387 PolarHBondContact O-OG 3.3Å; Y383-I427 HydrophobicContact CD2-CG2 4.48Å; Y383-I427 HydrophobicContact CE2-CB 4.48Å; Y383-I427 HydrophobicContact CE2-CG2 4.24Å; Y383-G428 PolarHBondContact OH-N 3.38Å
384	Q	97.5	Very high	97.1	Very high	101 Å²	101	38.5 Å²	38.5	47%	0.472	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-42.9	178.1	-73.9	177.7	23	0	0	112.2	A380 S381 L382 S387 R388	A380-Q384 WeakPolarHBondContact O-CB 3.42Å; A380-Q384 VanDerWaalsContact O-CG 3.26Å; A380-Q384 WeakPolarHBondContact O-CG 3.34Å; A380-Q384 PolarHBondContact O-N 3.39Å; S381-Q384 PolarHBondContact O-N 3.37Å; L382-Q384 VanDerWaalsContact C-N 3.33Å; L382-Q384 PolarHBondContact O-N 3.32Å; Q384-S387 PolarHBondContact O-N 2.99Å; Q384-R388 WeakPolarHBondContact O-CB 3.46Å; Q384-R388 PolarHBondContact O-N 3.1Å
385	N	97.4	Very high	97.2	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-51.4	174.8	-88.4	-101.1	0	0	0	110.9	K361 S381 L382 S387 D389	K361-N385 PolarHBondContact NZ-OD1 2.78Å; S381-N385 PolarHBondContact O-N 3.24Å; S381-N385 PolarHBondContact O-ND2 2.86Å; L382-N385 WeakPolarHBondContact O-CB 3.47Å; L382-N385 PolarHBondContact O-N 2.94Å; N385-S387 VanDerWaalsContact C-N 3.32Å; N385-S387 PolarHBondContact O-N 3.1Å; N385-D389 WeakPolarHBondContact O-CA 3.42Å; N385-D389 WeakPolarHBondContact O-CB 3.43Å; N385-D389 PolarHBondContact O-N 3.46Å
386	L	98.1	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-37.3	179.9	-67.1	174.9	0	0	0	112.1	A271 I273 W366 I375 L382 Y383 C390 I393 I427	A271-L386 HydrophobicContact CB-CD2 4.27Å; I273-L386 HydrophobicContact CD1-CD2 4.41Å; W366-L386 HydrophobicContact CH2-CD1 3.97Å; W366-L386 HydrophobicContact CZ2-CD1 4.3Å; I375-L386 HydrophobicContact CD1-CD1 4.24Å; L382-L386 HydrophobicContact CD1-CD1 3.95Å; L382-L386 HydrophobicContact CD1-CG 3.99Å; L382-L386 HydrophobicContact CG-CD1 3.99Å; L382-L386 HydrophobicContact CG-CG 4.41Å; L382-L386 WeakPolarHBondContact O-CG 3.3Å; L382-L386 PolarHBondContact O-N 3.22Å; Y383-L386 PolarHBondContact O-N 3.41Å; L386-C390 WeakPolarHBondContact O-CB 3.45Å; L386-I393 HydrophobicContact CB-CD1 4.01Å; L386-I393 HydrophobicContact CD2-CD1 4.22Å; L386-I427 HydrophobicContact CB-CG2 3.81Å; L386-I427 HydrophobicContact CD1-CD1 4.46Å
387	S	96.7	Very high	97.2	Very high	23 Å²	23	31.7 Å²	31.7	16%	0.161	17%	0.17	C	C	.	.	H	α-helix	trans	-72.5	-40.6	-177.9	-62.5	0	0	0	0	113.5	Y383 Q384 N385 G428	Y383-S387 WeakPolarHBondContact O-CB 3.44Å; Y383-S387 PolarHBondContact O-N 3.49Å; Y383-S387 PolarHBondContact O-OG 3.3Å; Q384-S387 PolarHBondContact O-N 2.99Å; N385-S387 VanDerWaalsContact C-N 3.32Å; N385-S387 PolarHBondContact O-N 3.1Å; S387-G428 VanDerWaalsContact CB-CA 3.46Å; S387-G428 WeakPolarHBondContact OG-CA 3.46Å; S387-G428 PolarHBondContact OG-N 3.47Å; S387-G428 VanDerWaalsContact OG-N 3.14Å
388	R	94.3	Very high	97.2	Very high	174 Å²	174	30.5 Å²	30.5	66%	0.657	16%	0.159	S	C	*	.	H	α-helix	trans	-98.8	-33.9	-171.8	-65.6	-176	177.2	178	2	113.2	R269 Q384	R269-R388 PolarHBondContact NH1-O 3Å; R269-R388 PolarHBondContact NH2-O 3.22Å; Q384-R388 WeakPolarHBondContact O-CB 3.46Å; Q384-R388 PolarHBondContact O-N 3.1Å
389	D	95.8	Very high	97.2	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	16%	0.159	S	C	.	.	H	α-helix	trans	-99.5	-7.4	-170.3	-57.8	-29.2	0	0	0	113.2	R269 Y299 N385	R269-D389 WeakPolarHBondContact CB-O 3.38Å; R269-D389 VanDerWaalsContact CD-O 3.31Å; R269-D389 WeakPolarHBondContact CD-O 3.49Å; R269-D389 PolarHBondContact NE-O 3.32Å; Y299-D389 PolarHBondContact OH-O 3.27Å; N385-D389 WeakPolarHBondContact O-CA 3.42Å; N385-D389 WeakPolarHBondContact O-CB 3.43Å; N385-D389 PolarHBondContact O-N 3.46Å
390	C	97.4	Very high	97.3	Very high	7 Å²	7	29.6 Å²	29.6	5%	0.047	15%	0.154	C	C	.	.			trans	-116.9	142.9	-179.7	-51.5	0	0	0	0	111.5	R269 A271 L386 I393 P455	R269-C390 CarbonylContact O-C 3.58Å; R269-C390 WeakPolarHBondContact O-CA 3.45Å; A271-C390 HydrophobicContact CB-CB 4.45Å; L386-C390 WeakPolarHBondContact O-CB 3.45Å; C390-I393 HydrophobicContact CB-CD1 4.36Å; C390-I393 HydrophobicContact CB-CG1 3.88Å; C390-P455 HydrophobicContact CB-CB 4.47Å
391	D	96.5	Very high	97.3	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.123	13%	0.134	C	C	.	.	S	Bend	trans	-108.7	-23.9	171	-54.3	-53.9	0	0	0	111.1	F255 H266 L268 R269 P455 M456	F255-D391 HydrophobicContact CE2-CB 4.11Å; F255-D391 HydrophobicContact CZ-CB 4.16Å; H266-D391 IonicContact CE1-OD2 3.49Å; H266-D391 IonicContact NE2-OD1 3.63Å; H266-D391 IonicContact NE2-OD2 3.59Å; H266-D391 PolarHBondContact NE2-OD2 2.94Å; L268-D391 HydrophobicContact CD2-CB 3.59Å; R269-D391 WeakPolarHBondContact CG-OD2 3.48Å; R269-D391 IonicContact CZ-OD1 3.77Å; R269-D391 IonicContact CZ-OD2 3.61Å; R269-D391 PolarHBondContact N-OD2 2.9Å; R269-D391 IonicContact NE-OD1 3.72Å; R269-D391 IonicContact NE-OD2 2.92Å; R269-D391 PolarHBondContact NE-OD2 2.56Å; R269-D391 IonicContact NH2-OD1 3.65Å; R269-D391 PolarHBondContact NH2-OD1 3.03Å; R269-D391 IonicContact NH2-OD2 2.78Å; R269-D391 PolarHBondContact O-N 3.47Å; D391-P455 WeakPolarHBondContact O-CA 3.25Å; D391-M456 PolarHBondContact O-N 3.01Å
392	L	98.1	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.5	175.5	174.2	60.4	0	0	0	109.8	L248 F251 R269 V270 A271 F291 I394 M456 V458	L248-L392 HydrophobicContact CD1-CD1 3.85Å; L248-L392 HydrophobicContact CD1-CD2 4.38Å; F251-L392 HydrophobicContact CE1-CB 4.34Å; R269-L392 PolarHBondContact O-N 3.48Å; V270-L392 CarbonylContact C-O 2.93Å; V270-L392 WeakPolarHBondContact CA-O 3.5Å; V270-L392 HydrophobicContact CG1-CD2 4.28Å; V270-L392 HydrophobicContact CG1-CG 4.32Å; V270-L392 HydrophobicContact CG2-CB 4.38Å; V270-L392 HydrophobicContact CG2-CD2 4.36Å; A271-L392 PolarHBondContact N-O 2.99Å; F291-L392 HydrophobicContact CZ-CD2 4.1Å; L392-I394 HydrophobicContact CD1-CG1 4.22Å; L392-I394 HydrophobicContact CD2-CD1 4.16Å; L392-I394 HydrophobicContact CD2-CG1 4.33Å; L392-I394 HydrophobicContact CG-CD1 4.41Å; L392-I394 HydrophobicContact CG-CG1 4.05Å; L392-M456 CarbonylContact C-O 3.52Å; L392-M456 WeakPolarHBondContact CA-O 3.26Å; L392-M456 HydrophobicContact CD1-CB 4.03Å; L392-M456 HydrophobicContact CD1-CG 4.06Å; L392-V458 HydrophobicContact CD1-CG2 3.72Å
393	I	98.7	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.8	175.7	-56.1	168.9	0	0	0	107.8	A271 I273 L386 C390 F395 I427 P455 M456 V457 V458	A271-I393 HydrophobicContact CB-CG1 4.25Å; A271-I393 HydrophobicContact CB-CG2 4.39Å; A271-I393 CarbonylContact O-C 3.5Å; A271-I393 WeakPolarHBondContact O-CA 3.47Å; I273-I393 HydrophobicContact CD1-CG2 4.36Å; I273-I393 HydrophobicContact CG1-CG2 4.02Å; L386-I393 HydrophobicContact CB-CD1 4.01Å; L386-I393 HydrophobicContact CD2-CD1 4.22Å; C390-I393 HydrophobicContact CB-CD1 4.36Å; C390-I393 HydrophobicContact CB-CG1 3.88Å; I393-F395 HydrophobicContact CG2-CD2 3.99Å; I393-F395 HydrophobicContact CG2-CE2 3.54Å; I393-F395 HydrophobicContact CG2-CZ 4.03Å; I393-I427 HydrophobicContact CD1-CB 4.5Å; I393-I427 HydrophobicContact CD1-CD1 4.01Å; I393-I427 HydrophobicContact CD1-CG2 4.1Å; I393-P455 HydrophobicContact CD1-CB 3.72Å; I393-P455 HydrophobicContact CD1-CG 3.65Å; I393-P455 HydrophobicContact CG1-CB 3.92Å; I393-P455 HydrophobicContact CG1-CG 4.41Å; I393-M456 PolarHBondContact N-O 3.48Å; I393-V457 HydrophobicContact CD1-CG2 4.47Å; I393-V457 CarbonylContact O-C 3.5Å; I393-V457 WeakPolarHBondContact O-CA 3.49Å; I393-V458 PolarHBondContact O-N 2.92Å
394	I	98.8	Very high	97.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.5	179.2	-55.6	177.6	0	0	0	108.3	V270 A271 I272 I273 L287 F291 L392 K396 V458 L460	V270-I394 HydrophobicContact CG1-CD1 4.4Å; A271-I394 PolarHBondContact O-N 3.19Å; I272-I394 CarbonylContact C-O 3.46Å; I272-I394 WeakPolarHBondContact CA-O 3.27Å; I272-I394 HydrophobicContact CG1-CB 4.49Å; I273-I394 PolarHBondContact N-O 3.24Å; L287-I394 HydrophobicContact CD2-CD1 4.35Å; F291-I394 HydrophobicContact CE2-CD1 4.19Å; F291-I394 HydrophobicContact CZ-CD1 4.47Å; L392-I394 HydrophobicContact CD1-CG1 4.22Å; L392-I394 HydrophobicContact CD2-CD1 4.16Å; L392-I394 HydrophobicContact CD2-CG1 4.33Å; L392-I394 HydrophobicContact CG-CD1 4.41Å; L392-I394 HydrophobicContact CG-CG1 4.05Å; I394-K396 HydrophobicContact CG2-CD 4.28Å; I394-V458 CarbonylContact C-O 3.5Å; I394-V458 WeakPolarHBondContact CA-O 3.45Å; I394-V458 HydrophobicContact CG1-CB 4.46Å; I394-L460 HydrophobicContact CG2-CD1 3.63Å; I394-L460 HydrophobicContact CG2-CG 3.77Å
395	F	98.7	Very high	97.3	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.3	171.1	-71.4	-86.3	0	0	0	110.2	I273 W366 Y372 I393 N400 L404 I427 V457 V458 A459 L460	I273-F395 HydrophobicContact CB-CD1 3.61Å; I273-F395 HydrophobicContact CB-CE1 3.95Å; I273-F395 HydrophobicContact CB-CG 4.31Å; I273-F395 HydrophobicContact CG1-CD1 3.59Å; I273-F395 HydrophobicContact CG1-CE1 3.51Å; I273-F395 HydrophobicContact CG1-CG 4.21Å; I273-F395 HydrophobicContact CG1-CZ 4.04Å; I273-F395 HydrophobicContact CG2-CD1 3.85Å; I273-F395 HydrophobicContact CG2-CE1 4.01Å; W366-F395 HydrophobicContact CH2-CE1 4.28Å; W366-F395 HydrophobicContact CZ3-CE1 4.09Å; Y372-F395 HydrophobicContact CD1-CE1 4.42Å; Y372-F395 AromaticContact CD2-CD1 3.85Å; Y372-F395 HydrophobicContact CD2-CD1 3.85Å; Y372-F395 AromaticContact CD2-CE1 3.39Å; Y372-F395 HydrophobicContact CD2-CE1 3.39Å; Y372-F395 HydrophobicContact CD2-CE2 4.41Å; Y372-F395 AromaticContact CD2-CZ 3.71Å; Y372-F395 HydrophobicContact CD2-CZ 3.71Å; Y372-F395 HydrophobicContact CE1-CE1 4.12Å; Y372-F395 AromaticContact CE2-CD1 3.14Å; Y372-F395 HydrophobicContact CE2-CD1 3.14Å; Y372-F395 AromaticContact CE2-CE1 3.04Å; Y372-F395 HydrophobicContact CE2-CE1 3.04Å; Y372-F395 HydrophobicContact CE2-CG 4Å; Y372-F395 AromaticContact CE2-CZ 3.85Å; Y372-F395 HydrophobicContact CE2-CZ 3.85Å; Y372-F395 HydrophobicContact CG-CE1 4.08Å; Y372-F395 HydrophobicContact CG-CZ 4.26Å; Y372-F395 AromaticContact CZ-CD1 3.65Å; Y372-F395 AromaticContact CZ-CE1 3.41Å; Y372-F395 VanDerWaalsContact CZ-CE1 3.41Å; I393-F395 HydrophobicContact CG2-CD2 3.99Å; I393-F395 HydrophobicContact CG2-CE2 3.54Å; I393-F395 HydrophobicContact CG2-CZ 4.03Å; F395-N400 HydrophobicContact CB-CB 4.17Å; F395-N400 HydrophobicContact CD1-CB 4.13Å; F395-L404 HydrophobicContact CB-CD1 3.71Å; F395-L404 HydrophobicContact CD2-CD1 4Å; F395-L404 HydrophobicContact CD2-CD2 3.83Å; F395-L404 HydrophobicContact CD2-CG 4.26Å; F395-L404 HydrophobicContact CE2-CD2 3.9Å; F395-L404 HydrophobicContact CG-CD1 3.9Å; F395-L404 HydrophobicContact CG-CD2 4.29Å; F395-L404 HydrophobicContact CG-CG 4.24Å; F395-L404 HydrophobicContact CZ-CD2 4.41Å; F395-I427 HydrophobicContact CE2-CD1 4.39Å; F395-I427 HydrophobicContact CZ-CD1 4.28Å; F395-V457 HydrophobicContact CD2-CG1 3.7Å; F395-V457 HydrophobicContact CE2-CG1 3.59Å; F395-V458 PolarHBondContact N-O 3.42Å; F395-A459 WeakPolarHBondContact O-CA 3.35Å; F395-L460 PolarHBondContact O-N 2.72Å
396	K	98.2	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141.9	-179.1	-68.1	-63.7	-57.9	166.7	0	112	S205 I272 I273 D275 E280 D284 I394 N400 L460	S205-K396 PolarHBondContact O-NZ 3.04Å; S205-K396 WeakPolarHBondContact OG-CE 3.47Å; S205-K396 PolarHBondContact OG-NZ 3.27Å; I272-K396 HydrophobicContact CG2-CD 4.44Å; I272-K396 HydrophobicContact CG2-CG 3.8Å; I273-K396 VanDerWaalsContact O-CB 3.25Å; I273-K396 WeakPolarHBondContact O-CB 3.21Å; I273-K396 WeakPolarHBondContact O-CG 3.33Å; I273-K396 PolarHBondContact O-N 2.93Å; D275-K396 HydrophobicContact CB-CB 3.94Å; E280-K396 VanDerWaalsContact OE1-CE 3.32Å; E280-K396 WeakPolarHBondContact OE1-CE 3.3Å; E280-K396 IonicContact OE1-NZ 3.06Å; D284-K396 VanDerWaalsContact OD1-CE 3.24Å; D284-K396 WeakPolarHBondContact OD1-CE 3.2Å; D284-K396 IonicContact OD1-NZ 3.4Å; I394-K396 HydrophobicContact CG2-CD 4.28Å; K396-N400 VanDerWaalsContact O-CB 3.27Å; K396-N400 WeakPolarHBondContact O-CB 3.19Å; K396-N400 PolarHBondContact O-ND2 3.28Å; K396-L460 HydrophobicContact CD-CB 4.18Å; K396-L460 HydrophobicContact CD-CD1 4.09Å
397	G	96.3	Very high	96.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	78.8	176.4	162.5	0	0	0	0	0	116.1	D275 Y401 L460	D275-G397 WeakPolarHBondContact OD2-CA 3.33Å; G397-Y401 PolarHBondContact O-N 3.46Å; G397-L460 PolarHBondContact N-O 3.02Å
398	D	95.3	Very high	96.7	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	9%	0.09	C	C	.	.	H	α-helix	trans	-73.6	-42	-169.9	-168.3	77.1	0	0	0	112.4	N400 Y401 R402 R461 K464 S465	D398-N400 PolarHBondContact O-N 3.3Å; D398-Y401 WeakPolarHBondContact O-CB 3.44Å; D398-Y401 PolarHBondContact O-N 2.92Å; D398-R402 VanDerWaalsContact O-CG 3.32Å; D398-R402 WeakPolarHBondContact O-CG 3.49Å; D398-R402 PolarHBondContact O-N 2.94Å; D398-R402 VanDerWaalsContact OD2-CD 3.31Å; D398-R402 WeakPolarHBondContact OD2-CD 3.43Å; D398-R461 IonicContact OD1-CZ 3.23Å; D398-R461 IonicContact OD1-NE 3.15Å; D398-R461 PolarHBondContact OD1-NE 3.19Å; D398-R461 IonicContact OD1-NH2 2.72Å; D398-R461 PolarHBondContact OD1-NH2 3.21Å; D398-K464 HydrophobicContact CB-CB 4.1Å; D398-K464 PolarHBondContact OD1-N 2.99Å; D398-K464 VanDerWaalsContact OD1-N 3.15Å; D398-S465 PolarHBondContact OD1-N 2.93Å; D398-S465 PolarHBondContact OD1-OG 3.27Å; D398-S465 WeakPolarHBondContact OD2-CB 3.44Å; D398-S465 PolarHBondContact OD2-OG 2.93Å
399	L	96.6	Very high	96.5	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.042	9%	0.086	C	C	.	.	H	α-helix	trans	-60	-50.1	179	174.4	62.6	0	0	0	111.9	L139 F310 Y401 R402 K403	L139-L399 HydrophobicContact CD1-CD1 3.67Å; F310-L399 HydrophobicContact CD2-CD2 3.81Å; F310-L399 HydrophobicContact CE1-CD1 4.31Å; F310-L399 HydrophobicContact CE1-CD2 4.43Å; F310-L399 HydrophobicContact CE2-CD1 4.03Å; F310-L399 HydrophobicContact CE2-CD2 3.6Å; F310-L399 HydrophobicContact CE2-CG 4.45Å; F310-L399 HydrophobicContact CG-CD2 4.34Å; F310-L399 HydrophobicContact CZ-CD1 3.66Å; F310-L399 HydrophobicContact CZ-CD2 3.94Å; F310-L399 HydrophobicContact CZ-CG 4.36Å; L399-Y401 VanDerWaalsContact C-N 3.26Å; L399-Y401 PolarHBondContact O-N 3.23Å; L399-R402 PolarHBondContact O-N 3.4Å; L399-K403 PolarHBondContact O-N 3.28Å; L399-K403 VanDerWaalsContact O-N 3.07Å
400	N	98.1	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66	-33.4	-179	-62.2	-34.8	0	0	0	110.6	I273 L274 K305 Y372 F395 K396 D398 K403 L404	I273-N400 PolarHBondContact O-ND2 2.95Å; L274-N400 PolarHBondContact O-ND2 3.41Å; K305-N400 PolarHBondContact NZ-OD1 3.47Å; Y372-N400 HydrophobicContact CE2-CB 4.1Å; Y372-N400 WeakPolarHBondContact CE2-O 3.37Å; Y372-N400 WeakPolarHBondContact OH-CA 3.47Å; Y372-N400 WeakPolarHBondContact OH-CB 3.08Å; Y372-N400 PolarHBondContact OH-OD1 2.93Å; F395-N400 HydrophobicContact CB-CB 4.17Å; F395-N400 HydrophobicContact CD1-CB 4.13Å; K396-N400 VanDerWaalsContact O-CB 3.27Å; K396-N400 WeakPolarHBondContact O-CB 3.19Å; K396-N400 PolarHBondContact O-ND2 3.28Å; D398-N400 PolarHBondContact O-N 3.3Å; N400-K403 PolarHBondContact O-N 3.42Å; N400-L404 WeakPolarHBondContact O-CG 3.46Å; N400-L404 PolarHBondContact O-N 3.32Å
401	Y	98	Very high	96.4	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-44.6	172.8	-173.5	-89.1	0	0	0	113.1	G397 D398 L399 K403 L404 V405 A459 R461 V469 Q496	G397-Y401 PolarHBondContact O-N 3.46Å; D398-Y401 WeakPolarHBondContact O-CB 3.44Å; D398-Y401 PolarHBondContact O-N 2.92Å; L399-Y401 VanDerWaalsContact C-N 3.26Å; L399-Y401 PolarHBondContact O-N 3.23Å; Y401-K403 PolarHBondContact O-N 3.02Å; Y401-L404 WeakPolarHBondContact O-CB 3.42Å; Y401-L404 PolarHBondContact O-N 3.23Å; Y401-V405 HydrophobicContact CD1-CG1 4.4Å; Y401-V405 HydrophobicContact CD1-CG2 4.23Å; Y401-V405 HydrophobicContact CE1-CG1 3.97Å; Y401-V405 HydrophobicContact CE1-CG2 4.14Å; Y401-V405 WeakPolarHBondContact O-CG2 3.37Å; Y401-V405 PolarHBondContact O-N 2.84Å; Y401-A459 HydrophobicContact CD2-CB 3.79Å; Y401-A459 HydrophobicContact CE2-CB 4.27Å; Y401-R461 VanDerWaalsContact CB-CD 3.44Å; Y401-R461 HydrophobicContact CD2-CB 3.97Å; Y401-R461 HydrophobicContact CD2-CG 4.42Å; Y401-R461 HydrophobicContact CG-CB 4.21Å; Y401-R461 HydrophobicContact CG-CG 4.26Å; Y401-V469 PolarHBondContact OH-N 3.41Å; Y401-Q496 PolarHBondContact OH-OE1 2.65Å
402	R	97.4	Very high	96.4	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-56.2	-40.7	175.2	-71.5	172.2	68	-161.3	-3.8	111.1	W138 L139 E142 D398 L399 V405 G406 D407 S465 V467	W138-R402 VanDerWaalsContact CD2-NH2 3.28Å; W138-R402 VanDerWaalsContact CH2-CZ 3.45Å; W138-R402 VanDerWaalsContact CZ3-CZ 3.48Å; L139-R402 VanDerWaalsContact CA-NH2 3.32Å; E142-R402 IonicContact OE2-CZ 3.36Å; E142-R402 IonicContact OE2-NH1 2.85Å; E142-R402 PolarHBondContact OE2-NH1 3.43Å; E142-R402 IonicContact OE2-NH2 2.79Å; D398-R402 VanDerWaalsContact O-CG 3.32Å; D398-R402 WeakPolarHBondContact O-CG 3.49Å; D398-R402 PolarHBondContact O-N 2.94Å; D398-R402 VanDerWaalsContact OD2-CD 3.31Å; D398-R402 WeakPolarHBondContact OD2-CD 3.43Å; L399-R402 PolarHBondContact O-N 3.4Å; R402-V405 PolarHBondContact O-N 3.25Å; R402-G406 CarbonylContact O-C 3.17Å; R402-G406 WeakPolarHBondContact O-CA 3.23Å; R402-G406 PolarHBondContact O-N 3.4Å; R402-D407 HydrophobicContact CB-CB 4.28Å; R402-D407 WeakPolarHBondContact CG-OD1 3.34Å; R402-D407 IonicContact CZ-OD1 3.03Å; R402-D407 IonicContact CZ-OD2 3.53Å; R402-D407 IonicContact NE-OD1 3.43Å; R402-D407 PolarHBondContact NE-OD1 2.77Å; R402-D407 IonicContact NE-OD2 2.71Å; R402-D407 IonicContact NH2-OD1 3.64Å; R402-D407 IonicContact NH2-OD2 3.13Å; R402-D407 PolarHBondContact NH2-OD2 3.36Å; R402-D407 PolarHBondContact O-N 2.95Å; R402-S465 WeakPolarHBondContact CD-OG 3.41Å; R402-V467 HydrophobicContact CG-CG1 3.6Å
403	K	97.9	Very high	96.4	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-33.2	173.6	-71.1	-175.5	171.6	-165.8	0	114.3	L139 W366 T368 C370 T371 Y372 L399 N400 Y401 V405	L139-K403 HydrophobicContact CD2-CG 4.1Å; W366-K403 PolarHBondContact O-NZ 3.2Å; T368-K403 WeakPolarHBondContact O-CE 3.23Å; T368-K403 PolarHBondContact O-NZ 2.93Å; C370-K403 WeakPolarHBondContact O-CD 3.48Å; T371-K403 WeakPolarHBondContact CB-O 3.26Å; Y372-K403 HydrophobicContact CD1-CB 4.06Å; Y372-K403 HydrophobicContact CD1-CD 4.49Å; Y372-K403 HydrophobicContact CD2-CB 4.1Å; Y372-K403 HydrophobicContact CE1-CB 3.84Å; Y372-K403 HydrophobicContact CE1-CD 3.76Å; Y372-K403 HydrophobicContact CE1-CG 4.46Å; Y372-K403 HydrophobicContact CE2-CB 3.82Å; Y372-K403 HydrophobicContact CG-CB 4.23Å; Y372-K403 PolarHBondContact N-O 2.93Å; Y372-K403 VanDerWaalsContact N-O 3.14Å; L399-K403 PolarHBondContact O-N 3.28Å; L399-K403 VanDerWaalsContact O-N 3.07Å; N400-K403 PolarHBondContact O-N 3.42Å; Y401-K403 PolarHBondContact O-N 3.02Å; K403-V405 VanDerWaalsContact C-N 3.34Å
404	L	97.8	Very high	96.3	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-40.6	173.5	-81.1	165.2	0	0	0	111.9	Y372 F395 N400 Y401 V425 V457 A459 V498	Y372-L404 HydrophobicContact CD2-CB 4.26Å; Y372-L404 HydrophobicContact CD2-CD2 3.59Å; Y372-L404 HydrophobicContact CD2-CG 3.53Å; Y372-L404 HydrophobicContact CE2-CD2 4.28Å; Y372-L404 HydrophobicContact CE2-CG 3.84Å; F395-L404 HydrophobicContact CB-CD1 3.71Å; F395-L404 HydrophobicContact CD2-CD1 4Å; F395-L404 HydrophobicContact CD2-CD2 3.83Å; F395-L404 HydrophobicContact CD2-CG 4.26Å; F395-L404 HydrophobicContact CE2-CD2 3.9Å; F395-L404 HydrophobicContact CG-CD1 3.9Å; F395-L404 HydrophobicContact CG-CD2 4.29Å; F395-L404 HydrophobicContact CG-CG 4.24Å; F395-L404 HydrophobicContact CZ-CD2 4.41Å; N400-L404 WeakPolarHBondContact O-CG 3.46Å; N400-L404 PolarHBondContact O-N 3.32Å; Y401-L404 WeakPolarHBondContact O-CB 3.42Å; Y401-L404 PolarHBondContact O-N 3.23Å; L404-V425 HydrophobicContact CD2-CB 4.46Å; L404-V425 HydrophobicContact CD2-CG1 3.96Å; L404-V425 HydrophobicContact CD2-CG2 4.29Å; L404-V425 WeakPolarHBondContact O-CG2 3.35Å; L404-V457 HydrophobicContact CD2-CG1 4.19Å; L404-A459 HydrophobicContact CD1-CB 3.62Å; L404-V498 HydrophobicContact CD1-CG2 4.16Å; L404-V498 HydrophobicContact CD2-CG1 4.29Å
405	V	96.4	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.7	-175.7	-54.1	0	0	0	0	113.2	Y401 R402 K403 D407 W410 A421 F422 V467 V469	Y401-V405 HydrophobicContact CD1-CG1 4.4Å; Y401-V405 HydrophobicContact CD1-CG2 4.23Å; Y401-V405 HydrophobicContact CE1-CG1 3.97Å; Y401-V405 HydrophobicContact CE1-CG2 4.14Å; Y401-V405 WeakPolarHBondContact O-CG2 3.37Å; Y401-V405 PolarHBondContact O-N 2.84Å; R402-V405 PolarHBondContact O-N 3.25Å; K403-V405 VanDerWaalsContact C-N 3.34Å; V405-D407 VanDerWaalsContact C-N 3.31Å; V405-D407 PolarHBondContact O-N 2.98Å; V405-W410 WeakPolarHBondContact O-CZ2 3.3Å; V405-W410 PolarHBondContact O-NE1 3.07Å; V405-A421 HydrophobicContact CB-CB 4.14Å; V405-A421 HydrophobicContact CG1-CB 4.25Å; V405-F422 HydrophobicContact CG1-CD1 4.41Å; V405-F422 HydrophobicContact CG1-CE1 4Å; V405-V467 HydrophobicContact CG2-CG2 3.55Å; V405-V469 HydrophobicContact CG1-CG2 4.16Å
406	G	94.4	Very high	95.9	Very high	14 Å²	14	33.6 Å²	33.6	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	20.2	178.8	0	0	0	0	0	116.1	R402 R408	R402-G406 CarbonylContact O-C 3.17Å; R402-G406 WeakPolarHBondContact O-CA 3.23Å; R402-G406 PolarHBondContact O-N 3.4Å; G406-R408 WeakPolarHBondContact O-CG 3.21Å; G406-R408 PolarHBondContact O-N 2.81Å
407	D	93.9	Very high	95.8	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.193	17%	0.174	C	C	.	.	S	Bend	trans	46.3	55.1	175.8	-154.9	51.7	0	0	0	114.7	L139 R402 V405	L139-D407 HydrophobicContact CB-CB 3.95Å; L139-D407 VanDerWaalsContact CB-OD2 3.27Å; L139-D407 WeakPolarHBondContact CB-OD2 3.46Å; L139-D407 HydrophobicContact CD2-CB 3.83Å; L139-D407 HydrophobicContact CG-CB 4.49Å; R402-D407 HydrophobicContact CB-CB 4.28Å; R402-D407 WeakPolarHBondContact CG-OD1 3.34Å; R402-D407 IonicContact CZ-OD1 3.03Å; R402-D407 IonicContact CZ-OD2 3.53Å; R402-D407 IonicContact NE-OD1 3.43Å; R402-D407 PolarHBondContact NE-OD1 2.77Å; R402-D407 IonicContact NE-OD2 2.71Å; R402-D407 IonicContact NH2-OD1 3.64Å; R402-D407 IonicContact NH2-OD2 3.13Å; R402-D407 PolarHBondContact NH2-OD2 3.36Å; R402-D407 PolarHBondContact O-N 2.95Å; V405-D407 VanDerWaalsContact C-N 3.31Å; V405-D407 PolarHBondContact O-N 2.98Å
408	R	92.5	Very high	95.8	Very high	59 Å²	59	36.1 Å²	36.1	22%	0.223	18%	0.178	C	C	.	.			trans	-114.6	167	-176.5	-46.5	-169.9	177.6	175.8	-2.2	112.2	G406 W410 R424	G406-R408 WeakPolarHBondContact O-CG 3.21Å; G406-R408 PolarHBondContact O-N 2.81Å; R408-W410 HydrophobicContact CB-CD2 4.28Å; R408-W410 HydrophobicContact CB-CZ2 4.1Å; R408-W410 HydrophobicContact CG-CZ2 4.1Å; R408-W410 VanDerWaalsContact O-CD1 3.29Å; R408-W410 PolarHBondContact O-N 2.93Å; R408-R424 VanDerWaalsContact NH2-NH1 3.12Å
409	Q	90.5	Very high	95.8	Very high	126 Å²	126	36 Å²	36	59%	0.589	18%	0.177	S	C	*	.			trans	-74.6	63.7	175.1	-69.6	-173.3	-24.9	0	0	112.3	C26	C26-Q409 HydrophobicContact CB-CG 4.05Å; C26-Q409 PolarHBondContact SG-NE2 3.21Å; C26-Q409 PolarHBondContact SG-OE1 2.6Å
410	W	94.7	Very high	95.7	Very high	28 Å²	28	39.6 Å²	39.6	11%	0.106	20%	0.197	C	C	.	.			trans	-72.1	144.3	172.1	-53.7	114.8	0	0	0	110.9	V405 R408 P412 D417 N420 A421 V469	V405-W410 WeakPolarHBondContact O-CZ2 3.3Å; V405-W410 PolarHBondContact O-NE1 3.07Å; R408-W410 HydrophobicContact CB-CD2 4.28Å; R408-W410 HydrophobicContact CB-CZ2 4.1Å; R408-W410 HydrophobicContact CG-CZ2 4.1Å; R408-W410 VanDerWaalsContact O-CD1 3.29Å; R408-W410 PolarHBondContact O-N 2.93Å; W410-P412 WeakPolarHBondContact O-CD 3.25Å; W410-D417 HydrophobicContact CB-CB 4.32Å; W410-D417 HydrophobicContact CD2-CB 4.48Å; W410-D417 HydrophobicContact CE3-CB 3.72Å; W410-D417 HydrophobicContact CZ3-CB 4.44Å; W410-N420 HydrophobicContact CH2-CB 4.22Å; W410-N420 HydrophobicContact CZ3-CB 4.06Å; W410-A421 HydrophobicContact CD2-CB 4.3Å; W410-A421 HydrophobicContact CH2-CB 4.3Å; W410-A421 HydrophobicContact CZ2-CB 3.84Å; W410-V469 HydrophobicContact CB-CG1 3.4Å; W410-V469 VanDerWaalsContact CB-CG1 3.4Å; W410-V469 HydrophobicContact CD2-CG1 4.2Å; W410-V469 HydrophobicContact CG-CG1 3.57Å
411	K	95.7	Very high	95.5	Very high	134 Å²	134	39.6 Å²	39.6	58%	0.583	20%	0.197	S	C	*	.			trans	-80.7	119.8	165.4	-68.9	-179.2	-178.6	179.4	0	108.8	D413 N414 D417	K411-D413 PolarHBondContact O-N 3.04Å; K411-D413 VanDerWaalsContact O-N 3.15Å; K411-N414 HydrophobicContact CB-CB 3.6Å; K411-N414 HydrophobicContact CD-CB 4.43Å; K411-N414 PolarHBondContact O-N 3.28Å; K411-N414 VanDerWaalsContact O-N 3.09Å; K411-D417 WeakPolarHBondContact CB-OD2 3.3Å; K411-D417 PolarHBondContact N-OD2 2.85Å
412	P	96.7	Very high	95.4	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.032	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.4	-173.6	-30.9	38.9	0	0	0	114.9	W410 G468 V469 G470 V471 F476 W486 W487	W410-P412 WeakPolarHBondContact O-CD 3.25Å; P412-G468 WeakPolarHBondContact CA-O 3.47Å; P412-V469 CarbonylContact O-C 3.49Å; P412-G470 PolarHBondContact O-N 3.12Å; P412-V471 HydrophobicContact CB-CB 4.19Å; P412-V471 HydrophobicContact CB-CG2 3.81Å; P412-V471 PolarHBondContact O-N 3.08Å; P412-F476 HydrophobicContact CB-CD2 3.91Å; P412-F476 HydrophobicContact CB-CE2 3.91Å; P412-F476 HydrophobicContact CG-CD2 4.3Å; P412-F476 HydrophobicContact CG-CE2 3.79Å; P412-W486 HydrophobicContact CB-CH2 4.44Å; P412-W486 HydrophobicContact CB-CZ2 4.24Å; P412-W486 HydrophobicContact CG-CZ2 4.22Å; P412-W487 HydrophobicContact CG-CE3 3.82Å; P412-W487 HydrophobicContact CG-CH2 4.12Å; P412-W487 HydrophobicContact CG-CZ3 3.32Å
413	D	97.1	Very high	95	Very high	45 Å²	45	44 Å²	44	24%	0.241	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	1.6	-176.9	65.8	-25.3	0	0	0	114.4	K411 V471 H473 F476	K411-D413 PolarHBondContact O-N 3.04Å; K411-D413 VanDerWaalsContact O-N 3.15Å; D413-V471 VanDerWaalsContact CA-O 3.28Å; D413-V471 WeakPolarHBondContact CA-O 3.42Å; D413-H473 HydrophobicContact CB-CB 4.47Å; D413-H473 IonicContact OD2-CE1 2.77Å; D413-H473 PolarHBondContact OD2-CE1 3.33Å; D413-H473 IonicContact OD2-CG 3.76Å; D413-H473 IonicContact OD2-ND1 3.98Å; D413-H473 PolarHBondContact OD2-ND1 3.43Å; D413-F476 HydrophobicContact CB-CB 3.94Å; D413-F476 HydrophobicContact CB-CD1 4.03Å; D413-F476 HydrophobicContact CB-CG 4.01Å
414	N	96.6	Very high	94.6	Very high	50 Å²	50	47.6 Å²	47.6	27%	0.267	23%	0.231	S	C	.	.			trans	-87	122.7	179	-175.3	-80.9	0	0	0	111.2	K411 D416 D417 K418	K411-N414 HydrophobicContact CB-CB 3.6Å; K411-N414 HydrophobicContact CD-CB 4.43Å; K411-N414 PolarHBondContact O-N 3.28Å; K411-N414 VanDerWaalsContact O-N 3.09Å; N414-D416 WeakPolarHBondContact OD1-CA 3.47Å; N414-D416 WeakPolarHBondContact OD1-CB 3.41Å; N414-D416 PolarHBondContact OD1-N 3.01Å; N414-D417 HydrophobicContact CB-CB 4.06Å; N414-D417 PolarHBondContact O-N 3.31Å; N414-D417 PolarHBondContact OD1-N 3.17Å; N414-K418 PolarHBondContact O-N 2.91Å; N414-K418 VanDerWaalsContact O-N 3.12Å
415	L	95.4	Very high	94.4	Very high	75 Å²	75	47.5 Å²	47.5	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-66.8	-38.8	-178.8	177.2	59.3	0	0	0	113	D417 K418 I419 L444	L415-D417 VanDerWaalsContact C-N 3.32Å; L415-D417 PolarHBondContact O-N 3.41Å; L415-K418 HydrophobicContact CD1-CD 4.49Å; L415-K418 WeakPolarHBondContact O-CB 3.45Å; L415-K418 PolarHBondContact O-N 3.25Å; L415-I419 HydrophobicContact CD1-CD1 4.08Å; L415-I419 HydrophobicContact CD1-CG1 4.29Å; L415-I419 HydrophobicContact CG-CD1 4.01Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.45Å; L415-L444 WeakPolarHBondContact CD1-O 3.05Å; L415-L444 HydrophobicContact CD2-CB 3.88Å
416	D	95.3	Very high	94.1	Very high	101 Å²	101	49.9 Å²	49.9	54%	0.54	24%	0.241	S	C	.	.	H	α-helix	trans	-65.4	-39.2	178.7	-62.2	-42.3	0	0	0	110.8	N414 I419 N420	N414-D416 WeakPolarHBondContact OD1-CA 3.47Å; N414-D416 WeakPolarHBondContact OD1-CB 3.41Å; N414-D416 PolarHBondContact OD1-N 3.01Å; D416-I419 PolarHBondContact O-N 3.05Å; D416-N420 VanDerWaalsContact O-CB 3.26Å; D416-N420 WeakPolarHBondContact O-CB 3.49Å; D416-N420 PolarHBondContact O-N 2.98Å; D416-N420 PolarHBondContact O-ND2 3.1Å
417	D	96	Very high	94.1	Very high	34 Å²	34	49.4 Å²	49.4	18%	0.182	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-42.1	174.3	-75.3	-13.2	0	0	0	111.7	W410 K411 N414 L415 I419 N420 A421 V469	W410-D417 HydrophobicContact CB-CB 4.32Å; W410-D417 HydrophobicContact CD2-CB 4.48Å; W410-D417 HydrophobicContact CE3-CB 3.72Å; W410-D417 HydrophobicContact CZ3-CB 4.44Å; K411-D417 WeakPolarHBondContact CB-OD2 3.3Å; K411-D417 PolarHBondContact N-OD2 2.85Å; N414-D417 HydrophobicContact CB-CB 4.06Å; N414-D417 PolarHBondContact O-N 3.31Å; N414-D417 PolarHBondContact OD1-N 3.17Å; L415-D417 VanDerWaalsContact C-N 3.32Å; L415-D417 PolarHBondContact O-N 3.41Å; D417-I419 PolarHBondContact O-N 2.75Å; D417-N420 PolarHBondContact O-N 3.33Å; D417-A421 VanDerWaalsContact O-CB 3.27Å; D417-A421 WeakPolarHBondContact O-CB 3.47Å; D417-A421 PolarHBondContact O-N 2.93Å; D417-V469 HydrophobicContact CB-CG1 4.41Å
418	K	96.1	Very high	94	Very high	19 Å²	19	49 Å²	49	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-56.2	-50.5	172	-173.3	-165.8	-172.7	180	0	111.2	N414 L415 F422 G445 V469	N414-K418 PolarHBondContact O-N 2.91Å; N414-K418 VanDerWaalsContact O-N 3.12Å; L415-K418 HydrophobicContact CD1-CD 4.49Å; L415-K418 WeakPolarHBondContact O-CB 3.45Å; L415-K418 PolarHBondContact O-N 3.25Å; K418-F422 HydrophobicContact CG-CD2 4.05Å; K418-F422 HydrophobicContact CG-CE2 3.99Å; K418-F422 WeakPolarHBondContact O-CB 3.34Å; K418-F422 WeakPolarHBondContact O-CG 3.43Å; K418-F422 PolarHBondContact O-N 2.85Å; K418-G445 WeakPolarHBondContact CE-O 3.48Å; K418-G445 PolarHBondContact NZ-O 3.04Å; K418-V469 HydrophobicContact CB-CB 4.16Å; K418-V469 HydrophobicContact CG-CB 4.45Å; K418-V469 HydrophobicContact CG-CG2 4.42Å
419	I	94.4	Very high	94	Very high	13 Å²	13	47.1 Å²	47.1	7%	0.067	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-47.2	-178.9	-66.9	166.7	0	0	0	110.2	L415 D416 D417 A421 F422 H423 L444 I501	L415-I419 HydrophobicContact CD1-CD1 4.08Å; L415-I419 HydrophobicContact CD1-CG1 4.29Å; L415-I419 HydrophobicContact CG-CD1 4.01Å; L415-I419 WeakPolarHBondContact O-CG1 3.47Å; L415-I419 PolarHBondContact O-N 3.45Å; D416-I419 PolarHBondContact O-N 3.05Å; D417-I419 PolarHBondContact O-N 2.75Å; I419-A421 PolarHBondContact O-N 3.42Å; I419-F422 PolarHBondContact O-N 3.05Å; I419-H423 WeakPolarHBondContact O-CA 3.4Å; I419-H423 WeakPolarHBondContact O-CB 3.34Å; I419-H423 PolarHBondContact O-N 3.5Å; I419-L444 HydrophobicContact CD1-CB 4.04Å; I419-L444 HydrophobicContact CD1-CD2 4.37Å; I419-I501 HydrophobicContact CG1-CD1 4.36Å
420	N	94.2	Very high	93.6	Very high	85 Å²	85	44.1 Å²	44.1	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-35.1	-178.3	-74.4	-38	0	0	0	113.3	W410 D416 D417 R424	W410-N420 HydrophobicContact CH2-CB 4.22Å; W410-N420 HydrophobicContact CZ3-CB 4.06Å; D416-N420 VanDerWaalsContact O-CB 3.26Å; D416-N420 WeakPolarHBondContact O-CB 3.49Å; D416-N420 PolarHBondContact O-N 2.98Å; D416-N420 PolarHBondContact O-ND2 3.1Å; D417-N420 PolarHBondContact O-N 3.33Å; N420-R424 WeakPolarHBondContact O-CD 3.5Å; N420-R424 WeakPolarHBondContact O-CG 3.36Å; N420-R424 PolarHBondContact O-NE 3.16Å
421	A	95.1	Very high	92.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-51.1	174.3	0	0	0	0	0	110.7	V405 W410 D417 I419 V469	V405-A421 HydrophobicContact CB-CB 4.14Å; V405-A421 HydrophobicContact CG1-CB 4.25Å; W410-A421 HydrophobicContact CD2-CB 4.3Å; W410-A421 HydrophobicContact CH2-CB 4.3Å; W410-A421 HydrophobicContact CZ2-CB 3.84Å; D417-A421 VanDerWaalsContact O-CB 3.27Å; D417-A421 WeakPolarHBondContact O-CB 3.47Å; D417-A421 PolarHBondContact O-N 2.93Å; I419-A421 PolarHBondContact O-N 3.42Å; A421-V469 HydrophobicContact CB-CG1 4.14Å; A421-V469 HydrophobicContact CB-CG2 4.21Å
422	F	94.8	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-76.8	-28.7	-173.3	-71.4	2.9	0	0	0	113.5	V405 K418 I419 R424 V425 Q426 V469 V498 I501	V405-F422 HydrophobicContact CG1-CD1 4.41Å; V405-F422 HydrophobicContact CG1-CE1 4Å; K418-F422 HydrophobicContact CG-CD2 4.05Å; K418-F422 HydrophobicContact CG-CE2 3.99Å; K418-F422 WeakPolarHBondContact O-CB 3.34Å; K418-F422 WeakPolarHBondContact O-CG 3.43Å; K418-F422 PolarHBondContact O-N 2.85Å; I419-F422 PolarHBondContact O-N 3.05Å; F422-R424 PolarHBondContact O-N 3.49Å; F422-V425 PolarHBondContact O-N 2.64Å; F422-V425 VanDerWaalsContact O-N 3.15Å; F422-Q426 PolarHBondContact O-NE2 2.86Å; F422-V469 HydrophobicContact CD1-CG2 4.05Å; F422-V469 HydrophobicContact CE1-CG2 3.36Å; F422-V469 HydrophobicContact CZ-CG2 3.69Å; F422-V498 HydrophobicContact CB-CG1 4.05Å; F422-V498 WeakPolarHBondContact CB-O 3.47Å; F422-V498 HydrophobicContact CD1-CB 4.45Å; F422-V498 HydrophobicContact CD1-CG1 3.76Å; F422-V498 HydrophobicContact CD1-CG2 4.44Å; F422-V498 HydrophobicContact CD2-CB 4.46Å; F422-V498 HydrophobicContact CD2-CG1 4.35Å; F422-V498 HydrophobicContact CE1-CG1 4.27Å; F422-V498 HydrophobicContact CE1-CG2 4.12Å; F422-V498 HydrophobicContact CE2-CG2 4.48Å; F422-V498 HydrophobicContact CG-CB 4.39Å; F422-V498 HydrophobicContact CG-CG1 3.8Å; F422-V498 HydrophobicContact CZ-CG2 4.15Å; F422-I501 HydrophobicContact CB-CD1 3.73Å; F422-I501 HydrophobicContact CB-CG1 4.37Å; F422-I501 HydrophobicContact CD2-CD1 4.05Å; F422-I501 HydrophobicContact CD2-CG2 4.28Å; F422-I501 HydrophobicContact CG-CD1 4.4Å
423	H	90.1	Very high	91.5	Very high	97 Å²	97	49.1 Å²	49.1	45%	0.449	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.2	177.8	-171.3	75.8	0	0	0	113	I419 V425 Q426	I419-H423 WeakPolarHBondContact O-CA 3.4Å; I419-H423 WeakPolarHBondContact O-CB 3.34Å; I419-H423 PolarHBondContact O-N 3.5Å; H423-V425 VanDerWaalsContact C-N 3.33Å; H423-Q426 VanDerWaalsContact O-CG 3.26Å; H423-Q426 WeakPolarHBondContact O-CG 3.27Å
424	R	89.8	Confident	90.8	Very high	77 Å²	77	50.2 Å²	50.2	29%	0.291	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.3	175.1	-66.8	168.9	178	-88.3	-13.9	112.4	D373 R408 N420 F422	D373-R424 HydrophobicContact CB-CB 3.82Å; D373-R424 VanDerWaalsContact CB-O 3.25Å; D373-R424 WeakPolarHBondContact CB-O 3.39Å; D373-R424 IonicContact OD2-NH1 3.9Å; R408-R424 VanDerWaalsContact NH2-NH1 3.12Å; N420-R424 WeakPolarHBondContact O-CD 3.5Å; N420-R424 WeakPolarHBondContact O-CG 3.36Å; N420-R424 PolarHBondContact O-NE 3.16Å; F422-R424 PolarHBondContact O-N 3.49Å
425	V	92.1	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.			trans	-104	87.3	-174.8	-173.4	0	0	0	0	110.4	L404 F422 H423 I427 V498 S499	L404-V425 HydrophobicContact CD2-CB 4.46Å; L404-V425 HydrophobicContact CD2-CG1 3.96Å; L404-V425 HydrophobicContact CD2-CG2 4.29Å; L404-V425 WeakPolarHBondContact O-CG2 3.35Å; F422-V425 PolarHBondContact O-N 2.64Å; F422-V425 VanDerWaalsContact O-N 3.15Å; H423-V425 VanDerWaalsContact C-N 3.33Å; V425-I427 HydrophobicContact CG1-CD1 4.23Å; V425-I427 HydrophobicContact CG1-CG1 4.1Å; V425-V498 HydrophobicContact CB-CG1 4.44Å; V425-S499 WeakPolarHBondContact O-CB 3.46Å
426	Q	91.6	Very high	89.5	Confident	50 Å²	50	45.9 Å²	45.9	23%	0.234	27%	0.267	C	S	.	.			trans	-119.9	54.4	-178.8	-60.6	-58.8	-43.9	0	0	111.9	F422 H423 G428 R429 S499	F422-Q426 PolarHBondContact O-NE2 2.86Å; H423-Q426 VanDerWaalsContact O-CG 3.26Å; H423-Q426 WeakPolarHBondContact O-CG 3.27Å; Q426-G428 PolarHBondContact O-N 3.43Å; Q426-G428 VanDerWaalsContact O-N 3.12Å; Q426-R429 HydrophobicContact CB-CB 4.28Å; Q426-R429 PolarHBondContact O-N 2.9Å; Q426-S499 PolarHBondContact OE1-OG 3.05Å
427	I	94.3	Very high	88.8	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	119	-176.1	-57.9	174.2	0	0	0	110.6	I375 Y383 L386 I393 F395 V425 R429 P455 V457	I375-I427 HydrophobicContact CD1-CD1 4.17Å; Y383-I427 HydrophobicContact CD2-CG2 4.48Å; Y383-I427 HydrophobicContact CE2-CB 4.48Å; Y383-I427 HydrophobicContact CE2-CG2 4.24Å; L386-I427 HydrophobicContact CB-CG2 3.81Å; L386-I427 HydrophobicContact CD1-CD1 4.46Å; I393-I427 HydrophobicContact CD1-CB 4.5Å; I393-I427 HydrophobicContact CD1-CD1 4.01Å; I393-I427 HydrophobicContact CD1-CG2 4.1Å; F395-I427 HydrophobicContact CE2-CD1 4.39Å; F395-I427 HydrophobicContact CZ-CD1 4.28Å; V425-I427 HydrophobicContact CG1-CD1 4.23Å; V425-I427 HydrophobicContact CG1-CG1 4.1Å; I427-R429 PolarHBondContact O-N 3.4Å; I427-R429 VanDerWaalsContact O-N 3.13Å; I427-P455 HydrophobicContact CB-CG 4.3Å; I427-P455 HydrophobicContact CG2-CG 4.09Å; I427-P455 VanDerWaalsContact O-CD 3.27Å; I427-P455 WeakPolarHBondContact O-CD 3.33Å; I427-P455 WeakPolarHBondContact O-CG 3.03Å; I427-V457 HydrophobicContact CD1-CG2 4.38Å
428	G	92.2	Very high	88	Confident	28 Å²	28	53.8 Å²	53.8	29%	0.289	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	3.6	176.2	0	0	0	0	0	115.7	Y383 S387 Q426	Y383-G428 PolarHBondContact OH-N 3.38Å; S387-G428 VanDerWaalsContact CB-CA 3.46Å; S387-G428 WeakPolarHBondContact OG-CA 3.46Å; S387-G428 PolarHBondContact OG-N 3.47Å; S387-G428 VanDerWaalsContact OG-N 3.14Å; Q426-G428 PolarHBondContact O-N 3.43Å; Q426-G428 VanDerWaalsContact O-N 3.12Å
429	R	90.7	Very high	87.4	Confident	19 Å²	19	55.4 Å²	55.4	7%	0.072	30%	0.304	C	S	.	.			trans	-97.8	127.8	-178.5	-69.9	-177.5	-165.6	-73.3	-8.4	111.1	Q426 I427 C451 G454 P455 S499 P500	Q426-R429 HydrophobicContact CB-CB 4.28Å; Q426-R429 PolarHBondContact O-N 2.9Å; I427-R429 PolarHBondContact O-N 3.4Å; I427-R429 VanDerWaalsContact O-N 3.13Å; R429-C451 PolarHBondContact NH1-SG 2.99Å; R429-G454 VanDerWaalsContact CZ-O 3.26Å; R429-G454 PolarHBondContact NH1-O 2.88Å; R429-G454 PolarHBondContact NH2-O 2.94Å; R429-P455 PolarHBondContact NH2-O 3.49Å; R429-S499 WeakPolarHBondContact CD-OG 3.35Å; R429-S499 PolarHBondContact NE-OG 3.21Å; R429-P500 VanDerWaalsContact CZ-CG 3.41Å
430	S	84	Confident	86.7	Confident	63 Å²	63	67 Å²	67	44%	0.441	35%	0.347	S	S	.	.			trans	-68.2	139.5	170.7	-177.9	0	0	0	0	110.8	S432 C433	S430-S432 PolarHBondContact O-N 3.41Å; S430-S432 PolarHBondContact OG-N 3.25Å; S430-S432 PolarHBondContact OG-OG 2.78Å; S430-C433 WeakPolarHBondContact O-CB 3.1Å; S430-C433 PolarHBondContact O-N 2.97Å
431	P	78.6	Confident	86.2	Confident	140 Å²	140	69.1 Å²	69.1	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-20.1	167.5	-25.6	34.5	0	0	0	113.7	C433	P431-C433 PolarHBondContact O-N 3.3Å
432	S	79.5	Confident	85.7	Confident	89 Å²	89	71.9 Å²	71.9	62%	0.622	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	2.9	176	69.1	0	0	0	0	114.7	S430 T434	S430-S432 PolarHBondContact O-N 3.41Å; S430-S432 PolarHBondContact OG-N 3.25Å; S430-S432 PolarHBondContact OG-OG 2.78Å; S432-T434 PolarHBondContact O-N 3.26Å
433	C	83.2	Confident	85.5	Confident	43 Å²	43	77.8 Å²	77.8	29%	0.291	40%	0.402	S	S	.	.			trans	-58.9	122.3	179.2	-176.6	0	0	0	0	111.5	S430 P431 C451 C453	S430-C433 WeakPolarHBondContact O-CB 3.1Å; S430-C433 PolarHBondContact O-N 2.97Å; P431-C433 PolarHBondContact O-N 3.3Å; C433-C451 VanDerWaalsContact SG-SG 3.65Å; C433-C453 HydrophobicContact CB-CB 4.33Å
434	T	83.2	Confident	85.5	Confident	68 Å²	68	76.9 Å²	76.9	42%	0.417	40%	0.399	S	S	.	.			trans	-108.6	11.8	-179.3	54.5	0	0	0	0	113.5	S432 S436 K437	S432-T434 PolarHBondContact O-N 3.26Å; T434-S436 PolarHBondContact O-N 2.92Å; T434-K437 HydrophobicContact CG2-CD 4.22Å; T434-K437 WeakPolarHBondContact O-CB 3.35Å; T434-K437 PolarHBondContact O-N 2.55Å
435	C	83.6	Confident	85.5	Confident	9 Å²	9	73.2 Å²	73.2	6%	0.061	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.4	-32.2	-174.9	-68.3	0	0	0	0	113.1	K437 K438 I448 C451 C453	C435-K437 PolarHBondContact O-N 3.47Å; C435-K438 WeakPolarHBondContact O-CB 3.41Å; C435-K438 PolarHBondContact O-N 2.98Å; C435-K438 VanDerWaalsContact O-N 3.08Å; C435-I448 HydrophobicContact CB-CG2 4.49Å; C435-C451 HydrophobicContact CB-CB 3.86Å; C435-C453 VanDerWaalsContact SG-SG 3.69Å
436	S	80.8	Confident	85.6	Confident	26 Å²	26	76.7 Å²	76.7	18%	0.182	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-58.3	-31.5	173.5	56.8	0	0	0	0	113.1	T434 K438 L439	T434-S436 PolarHBondContact O-N 2.92Å; S436-K438 PolarHBondContact O-N 3.39Å; S436-L439 PolarHBondContact O-N 2.85Å
437	K	80.2	Confident	85.7	Confident	150 Å²	150	75.6 Å²	75.6	65%	0.652	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-72.9	-14.4	179.5	-56.5	-176.6	-179.2	178.3	0	113.5	T434 C435	T434-K437 HydrophobicContact CG2-CD 4.22Å; T434-K437 WeakPolarHBondContact O-CB 3.35Å; T434-K437 PolarHBondContact O-N 2.55Å; C435-K437 PolarHBondContact O-N 3.47Å
438	K	80.6	Confident	85.5	Confident	151 Å²	151	75.8 Å²	75.8	66%	0.657	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-86.4	-14.2	178.8	-61.1	178.9	-177.7	173.2	0	112.6	C435 S436	C435-K438 WeakPolarHBondContact O-CB 3.41Å; C435-K438 PolarHBondContact O-N 2.98Å; C435-K438 VanDerWaalsContact O-N 3.08Å; S436-K438 PolarHBondContact O-N 3.39Å
439	L	82	Confident	85.5	Confident	53 Å²	53	76.2 Å²	76.2	28%	0.277	40%	0.4	S	S	.	.	S	Bend	trans	-71.9	139.5	179.1	-62.7	174.2	0	0	0	110	S436 D441 P442 I448 V502	S436-L439 PolarHBondContact O-N 2.85Å; L439-D441 VanDerWaalsContact C-N 3.33Å; L439-P442 HydrophobicContact CB-CB 3.96Å; L439-P442 HydrophobicContact CB-CG 4.39Å; L439-P442 HydrophobicContact CD1-CB 4.06Å; L439-I448 HydrophobicContact CD1-CG1 4.12Å; L439-I448 HydrophobicContact CD1-CG2 4.38Å; L439-V502 HydrophobicContact CD1-CG2 3.73Å
440	R	80.5	Confident	85.2	Confident	257 Å²	257	79.3 Å²	79.3	97%	0.97	42%	0.418	S	S	*	.	S	Bend	trans	-69.6	-30.5	-178.3	-68	-176.8	-178.2	-177.9	0.8	113
441	D	83.4	Confident	85.4	Confident	128 Å²	128	76.6 Å²	76.6	68%	0.684	40%	0.399	S	S	*	.	S	Bend	trans	-150.3	75.4	178.7	-173.4	27.5	0	0	0	109.8	L439 K443	L439-D441 VanDerWaalsContact C-N 3.33Å; D441-K443 PolarHBondContact O-N 3.06Å
442	P	84.1	Confident	85.7	Confident	59 Å²	59	75.1 Å²	75.1	38%	0.383	39%	0.392	S	S	.	.			trans	-73.8	113.5	-177.5	27.6	-30.2	0	0	0	110.6	L439 V502	L439-P442 HydrophobicContact CB-CB 3.96Å; L439-P442 HydrophobicContact CB-CG 4.39Å; L439-P442 HydrophobicContact CD1-CB 4.06Å; P442-V502 HydrophobicContact CB-CG1 3.8Å; P442-V502 HydrophobicContact CB-CG2 4.06Å
443	K	90.3	Very high	86.1	Confident	124 Å²	124	73.5 Å²	73.5	54%	0.539	38%	0.38	S	S	.	.			trans	-86.8	135.2	167.7	-58.3	178.3	179.9	178.1	0	109.8	D441 G445 D446 V502	D441-K443 PolarHBondContact O-N 3.06Å; K443-G445 PolarHBondContact O-N 3.16Å; K443-D446 HydrophobicContact CB-CB 4.47Å; K443-D446 WeakPolarHBondContact CB-OD2 3.42Å; K443-D446 WeakPolarHBondContact O-CB 3.47Å; K443-D446 PolarHBondContact O-N 3.48Å; K443-D446 VanDerWaalsContact O-N 3.17Å; K443-V502 WeakPolarHBondContact O-CB 3.18Å; K443-V502 WeakPolarHBondContact O-CG1 3.46Å
444	L	90.6	Very high	86.6	Confident	77 Å²	77	72.3 Å²	72.3	40%	0.403	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136.4	176.2	-73.9	175.1	0	0	0	110.8	L415 I419 D446 V502 S504	L415-L444 WeakPolarHBondContact CD1-O 3.05Å; L415-L444 HydrophobicContact CD2-CB 3.88Å; I419-L444 HydrophobicContact CD1-CB 4.04Å; I419-L444 HydrophobicContact CD1-CD2 4.37Å; L444-D446 VanDerWaalsContact C-N 3.28Å; L444-D446 PolarHBondContact O-N 3.18Å; L444-V502 HydrophobicContact CD2-CG1 4.32Å; L444-S504 VanDerWaalsContact CD2-N 3.32Å
445	G	91.1	Very high	87.2	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-7.1	-178	0	0	0	0	0	115.5	K418 K443 V502	K418-G445 WeakPolarHBondContact CE-O 3.48Å; K418-G445 PolarHBondContact NZ-O 3.04Å; K443-G445 PolarHBondContact O-N 3.16Å; G445-V502 PolarHBondContact N-O 3.41Å
446	D	92.6	Very high	87.8	Confident	73 Å²	73	68.8 Å²	68.8	39%	0.39	35%	0.353	S	S	.	.			trans	-74.4	144.1	179.6	-81	7.4	0	0	0	111.7	K443 L444 I501 V502	K443-D446 HydrophobicContact CB-CB 4.47Å; K443-D446 WeakPolarHBondContact CB-OD2 3.42Å; K443-D446 WeakPolarHBondContact O-CB 3.47Å; K443-D446 PolarHBondContact O-N 3.48Å; K443-D446 VanDerWaalsContact O-N 3.17Å; L444-D446 VanDerWaalsContact C-N 3.28Å; L444-D446 PolarHBondContact O-N 3.18Å; D446-I501 CarbonylContact O-C 3.55Å; D446-I501 VanDerWaalsContact O-CA 3.23Å; D446-I501 WeakPolarHBondContact O-CA 3.38Å; D446-V502 HydrophobicContact CB-CG2 4.44Å; D446-V502 PolarHBondContact O-N 3.22Å
447	P	93.4	Very high	88.6	Confident	27 Å²	27	67.5 Å²	67.5	18%	0.175	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-62.4	141.3	173	-22.8	34.3	0	0	0	113.4	D244 A247 I497	D244-P447 HydrophobicContact CB-CG 4.46Å; A247-P447 HydrophobicContact CB-CB 4.4Å; A247-P447 HydrophobicContact CB-CG 4.49Å; P447-I497 HydrophobicContact CB-CB 3.85Å; P447-I497 HydrophobicContact CB-CD1 3.55Å; P447-I497 HydrophobicContact CB-CG1 4.27Å; P447-I497 HydrophobicContact CB-CG2 3.89Å; P447-I497 HydrophobicContact CG-CB 3.9Å; P447-I497 HydrophobicContact CG-CD1 3.96Å; P447-I497 HydrophobicContact CG-CG1 4.41Å; P447-I497 HydrophobicContact CG-CG2 4.43Å
448	I	91.6	Very high	89.5	Confident	7 Å²	7	60.4 Å²	60.4	4%	0.036	31%	0.313	C	S	.	.			trans	-103	106	174	-49.5	176.5	0	0	0	109.4	C435 L439 D450 C451 P500 V502	C435-I448 HydrophobicContact CB-CG2 4.49Å; L439-I448 HydrophobicContact CD1-CG1 4.12Å; L439-I448 HydrophobicContact CD1-CG2 4.38Å; I448-D450 VanDerWaalsContact CG2-OD1 3.27Å; I448-D450 WeakPolarHBondContact CG2-OD1 3.23Å; I448-C451 HydrophobicContact CB-CB 4.39Å; I448-C451 HydrophobicContact CG2-CB 3.78Å; I448-P500 HydrophobicContact CB-CB 4.24Å; I448-P500 HydrophobicContact CB-CG 4.01Å; I448-P500 HydrophobicContact CD1-CB 4.39Å; I448-P500 PolarHBondContact N-O 2.9Å; I448-P500 WeakPolarHBondContact O-CG 3.45Å; I448-V502 HydrophobicContact CD1-CG2 4.06Å; I448-V502 HydrophobicContact CG1-CG2 3.8Å
449	T	91	Very high	90.3	Very high	36 Å²	36	53.3 Å²	53.3	22%	0.221	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.3	-171.3	59.5	0	0	0	0	115.2	A247 F251 S254	A247-T449 HydrophobicContact CB-CG2 3.94Å; A247-T449 VanDerWaalsContact O-CG2 3.27Å; A247-T449 WeakPolarHBondContact O-CG2 3.25Å; F251-T449 WeakPolarHBondContact CD2-O 3.25Å; S254-T449 PolarHBondContact OG-O 3.35Å
450	D	85.8	Confident	91.1	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	15	-176.8	66.8	-22	0	0	0	113.1	I448	I448-D450 VanDerWaalsContact CG2-OD1 3.27Å; I448-D450 WeakPolarHBondContact CG2-OD1 3.23Å
451	C	87.2	Confident	91.9	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.034	22%	0.223	C	C	.	.			trans	-94	113.2	-177.5	-177.8	0	0	0	0	112.8	R429 C433 C435 I448 P500	R429-C451 PolarHBondContact NH1-SG 2.99Å; C433-C451 VanDerWaalsContact SG-SG 3.65Å; C435-C451 HydrophobicContact CB-CB 3.86Å; I448-C451 HydrophobicContact CB-CB 4.39Å; I448-C451 HydrophobicContact CG2-CB 3.78Å; C451-P500 HydrophobicContact CB-CB 4.49Å; C451-P500 HydrophobicContact CB-CG 3.72Å
452	S	84.3	Confident	92.4	Very high	110 Å²	110	32.5 Å²	32.5	77%	0.769	19%	0.191	S	C	*	.			trans	-96.8	14.9	177	70.6	0	0	0	0	114.5	G454	S452-G454 PolarHBondContact O-N 3.48Å
453	C	89.1	Confident	92.9	Very high	54 Å²	54	29.7 Å²	29.7	37%	0.365	17%	0.172	S	C	.	.	S	Bend	trans	-78.4	3.2	-177.4	-64.1	0	0	0	0	114.3	C433 C435	C433-C453 HydrophobicContact CB-CB 4.33Å; C435-C453 VanDerWaalsContact SG-SG 3.69Å
454	G	92.5	Very high	93.1	Very high	18 Å²	18	24 Å²	24	19%	0.186	15%	0.148	C	C	.	.	S	Bend	trans	167	172.7	-178.6	0	0	0	0	0	110.5	R429 S452	R429-G454 VanDerWaalsContact CZ-O 3.26Å; R429-G454 PolarHBondContact NH1-O 2.88Å; R429-G454 PolarHBondContact NH2-O 2.94Å; S452-G454 PolarHBondContact O-N 3.48Å
455	P	96.1	Very high	93.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	13%	0.129	C	C	.	.			trans	-62.1	139.5	180	23.7	-35.5	0	0	0	112.8	C390 D391 I393 I427 R429 V457	C390-P455 HydrophobicContact CB-CB 4.47Å; D391-P455 WeakPolarHBondContact O-CA 3.25Å; I393-P455 HydrophobicContact CD1-CB 3.72Å; I393-P455 HydrophobicContact CD1-CG 3.65Å; I393-P455 HydrophobicContact CG1-CB 3.92Å; I393-P455 HydrophobicContact CG1-CG 4.41Å; I427-P455 HydrophobicContact CB-CG 4.3Å; I427-P455 HydrophobicContact CG2-CG 4.09Å; I427-P455 VanDerWaalsContact O-CD 3.27Å; I427-P455 WeakPolarHBondContact O-CD 3.33Å; I427-P455 WeakPolarHBondContact O-CG 3.03Å; R429-P455 PolarHBondContact NH2-O 3.49Å; P455-V457 PolarHBondContact O-N 2.85Å
456	M	96.5	Very high	93.3	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.7	164.2	-179.6	164.1	-71.7	0	0	109	L248 F251 D391 L392 I393 V458 I497 S499	L248-M456 HydrophobicContact CD1-SD 3.61Å; F251-M456 HydrophobicContact CB-CE 3.63Å; F251-M456 HydrophobicContact CB-SD 3.81Å; F251-M456 HydrophobicContact CD1-CB 4.35Å; F251-M456 HydrophobicContact CD1-CE 3.98Å; F251-M456 HydrophobicContact CD1-SD 3.49Å; F251-M456 WeakPolarHBondContact CD1-SD 3.37Å; F251-M456 HydrophobicContact CD2-CE 3.33Å; F251-M456 HydrophobicContact CD2-SD 4.02Å; F251-M456 HydrophobicContact CE1-CB 3.89Å; F251-M456 HydrophobicContact CE1-CE 4.49Å; F251-M456 HydrophobicContact CE1-SD 4.02Å; F251-M456 HydrophobicContact CE2-CB 4.2Å; F251-M456 HydrophobicContact CE2-CE 3.92Å; F251-M456 HydrophobicContact CE2-SD 4.48Å; F251-M456 HydrophobicContact CG-CE 3.35Å; F251-M456 HydrophobicContact CG-SD 3.48Å; F251-M456 WeakPolarHBondContact CG-SD 3.35Å; F251-M456 HydrophobicContact CZ-CB 3.8Å; F251-M456 HydrophobicContact CZ-CE 4.47Å; F251-M456 HydrophobicContact CZ-SD 4.48Å; D391-M456 PolarHBondContact O-N 3.01Å; L392-M456 CarbonylContact C-O 3.52Å; L392-M456 WeakPolarHBondContact CA-O 3.26Å; L392-M456 HydrophobicContact CD1-CB 4.03Å; L392-M456 HydrophobicContact CD1-CG 4.06Å; I393-M456 PolarHBondContact N-O 3.48Å; M456-V458 HydrophobicContact CG-CG2 4.03Å; M456-V458 HydrophobicContact SD-CG2 4.47Å; M456-I497 HydrophobicContact CE-CD1 4.44Å; M456-I497 HydrophobicContact CG-CG2 4.32Å; M456-I497 HydrophobicContact SD-CD1 4.06Å; M456-I497 HydrophobicContact SD-CG1 4.32Å; M456-S499 CarbonylContact C-O 3.43Å; M456-S499 WeakPolarHBondContact CA-O 3.33Å
457	V	98	Very high	93.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	178	-177.1	0	0	0	0	108.6	I393 F395 L404 I427 P455 V498 S499	I393-V457 HydrophobicContact CD1-CG2 4.47Å; I393-V457 CarbonylContact O-C 3.5Å; I393-V457 WeakPolarHBondContact O-CA 3.49Å; F395-V457 HydrophobicContact CD2-CG1 3.7Å; F395-V457 HydrophobicContact CE2-CG1 3.59Å; L404-V457 HydrophobicContact CD2-CG1 4.19Å; I427-V457 HydrophobicContact CD1-CG2 4.38Å; P455-V457 PolarHBondContact O-N 2.85Å; V457-V498 HydrophobicContact CB-CB 4.33Å; V457-V498 HydrophobicContact CG1-CB 4.04Å; V457-V498 HydrophobicContact CG1-CG1 4.5Å; V457-V498 PolarHBondContact O-N 2.79Å; V457-S499 PolarHBondContact N-O 2.94Å; V457-S499 PolarHBondContact O-N 3.14Å
458	V	98.5	Very high	93.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.9	-178.5	-178.7	0	0	0	0	109.2	L248 L392 I393 I394 F395 M456 L460 Q496 I497	L248-V458 HydrophobicContact CD1-CG2 3.72Å; L248-V458 HydrophobicContact CD2-CG1 4.1Å; L248-V458 HydrophobicContact CD2-CG2 4.07Å; L248-V458 HydrophobicContact CG-CG2 4.48Å; L392-V458 HydrophobicContact CD1-CG2 3.72Å; I393-V458 PolarHBondContact O-N 2.92Å; I394-V458 CarbonylContact C-O 3.5Å; I394-V458 WeakPolarHBondContact CA-O 3.45Å; I394-V458 HydrophobicContact CG1-CB 4.46Å; F395-V458 PolarHBondContact N-O 3.42Å; M456-V458 HydrophobicContact CG-CG2 4.03Å; M456-V458 HydrophobicContact SD-CG2 4.47Å; V458-L460 HydrophobicContact CG1-CD2 4.16Å; V458-Q496 CarbonylContact C-O 3.58Å; V458-Q496 VanDerWaalsContact CA-O 3.27Å; V458-Q496 WeakPolarHBondContact CA-O 3.45Å; V458-I497 HydrophobicContact CG2-CG1 4.24Å
459	A	98.5	Very high	93.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.6	167.8	0	0	0	0	0	110.5	F395 Y401 L404 Q496 V498	F395-A459 WeakPolarHBondContact O-CA 3.35Å; Y401-A459 HydrophobicContact CD2-CB 3.79Å; Y401-A459 HydrophobicContact CE2-CB 4.27Å; L404-A459 HydrophobicContact CD1-CB 3.62Å; A459-Q496 PolarHBondContact N-O 2.73Å; A459-Q496 PolarHBondContact O-N 3.21Å; A459-V498 HydrophobicContact CB-CG2 4.08Å
460	L	98.5	Very high	94.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	100.1	170	-58.3	-178.5	0	0	0	108.2	L202 L206 I394 F395 K396 G397 V458 F494 I495	L202-L460 HydrophobicContact CD1-CD1 3.81Å; L202-L460 HydrophobicContact CD1-CD2 3.9Å; L202-L460 HydrophobicContact CD1-CG 4.48Å; L202-L460 HydrophobicContact CG-CD2 4.36Å; L206-L460 HydrophobicContact CB-CB 4.44Å; L206-L460 HydrophobicContact CD1-CB 4.07Å; I394-L460 HydrophobicContact CG2-CD1 3.63Å; I394-L460 HydrophobicContact CG2-CG 3.77Å; F395-L460 PolarHBondContact O-N 2.72Å; K396-L460 HydrophobicContact CD-CB 4.18Å; K396-L460 HydrophobicContact CD-CD1 4.09Å; G397-L460 PolarHBondContact N-O 3.02Å; V458-L460 HydrophobicContact CG1-CD2 4.16Å; L460-F494 WeakPolarHBondContact CA-O 3.47Å; L460-I495 HydrophobicContact CD2-CB 4.24Å; L460-I495 HydrophobicContact CD2-CG1 3.97Å; L460-I495 HydrophobicContact CD2-CG2 3.95Å
461	R	96.2	Very high	94.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.8	-173.4	165.2	178.5	-176.5	-130.9	9.1	111.7	L206 D398 Y401 S465 V467 G493 F494	L206-R461 VanDerWaalsContact CD1-C 3.43Å; L206-R461 VanDerWaalsContact CD1-N 3.33Å; L206-R461 WeakPolarHBondContact CD1-O 3.35Å; D398-R461 IonicContact OD1-CZ 3.23Å; D398-R461 IonicContact OD1-NE 3.15Å; D398-R461 PolarHBondContact OD1-NE 3.19Å; D398-R461 IonicContact OD1-NH2 2.72Å; D398-R461 PolarHBondContact OD1-NH2 3.21Å; Y401-R461 VanDerWaalsContact CB-CD 3.44Å; Y401-R461 HydrophobicContact CD2-CB 3.97Å; Y401-R461 HydrophobicContact CD2-CG 4.42Å; Y401-R461 HydrophobicContact CG-CB 4.21Å; Y401-R461 HydrophobicContact CG-CG 4.26Å; R461-S465 PolarHBondContact NH2-O 3.09Å; R461-S465 PolarHBondContact NH2-OG 2.88Å; R461-V467 PolarHBondContact NH1-O 2.97Å; R461-V467 PolarHBondContact NH2-O 3.36Å; R461-G493 CarbonylContact O-C 3.46Å; R461-G493 WeakPolarHBondContact O-CA 3.28Å; R461-F494 HydrophobicContact CB-CB 4.25Å; R461-F494 HydrophobicContact CG-CD2 4.43Å; R461-F494 PolarHBondContact N-O 3.01Å; R461-F494 PolarHBondContact O-N 3.45Å
462	V	95.5	Very high	95	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	131.9	154.8	174.6	0	0	0	0	108.1	L206 W207 N209 K464 G490 Y492	L206-V462 HydrophobicContact CD1-CG2 4.22Å; L206-V462 WeakPolarHBondContact O-CG2 3.48Å; W207-V462 HydrophobicContact CE3-CG2 3.95Å; W207-V462 HydrophobicContact CZ3-CG2 4.23Å; N209-V462 HydrophobicContact CB-CB 4.27Å; N209-V462 HydrophobicContact CB-CG2 3.9Å; V462-K464 HydrophobicContact CG1-CG 4.28Å; V462-K464 PolarHBondContact O-N 3.32Å; V462-G490 WeakPolarHBondContact CG1-O 3.27Å; V462-Y492 CarbonylContact C-O 3.55Å; V462-Y492 WeakPolarHBondContact CA-O 3.25Å
463	A	94.5	Very high	95.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.096	C	C	.	.			trans	-75.2	107.8	-171.7	0	0	0	0	0	111.4	W487 G490 Y492 F494	A463-W487 CarbonylContact C-O 3.46Å; A463-W487 HydrophobicContact CB-CB 4.35Å; A463-W487 WeakPolarHBondContact CB-O 3.2Å; A463-W487 CarbonylContact O-C 3.39Å; A463-W487 VanDerWaalsContact O-O 3.12Å; A463-G490 WeakPolarHBondContact O-CA 3.37Å; A463-G490 PolarHBondContact O-N 3.11Å; A463-Y492 WeakPolarHBondContact CB-O 3.36Å; A463-Y492 PolarHBondContact N-O 3.47Å; A463-F494 HydrophobicContact CB-CD2 4.3Å; A463-F494 HydrophobicContact CB-CE2 3.81Å
464	K	93.5	Very high	96	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.026	11%	0.109	C	C	.	.			trans	-131.7	15.2	-176.8	-61.2	174.7	178.8	170.6	0	113.2	F32 N209 D212 L215 D398 V462 W487	F32-K464 WeakPolarHBondContact CE1-O 3.4Å; F32-K464 WeakPolarHBondContact CZ-O 3.48Å; N209-K464 PolarHBondContact O-NZ 2.85Å; N209-K464 VanDerWaalsContact OD1-CE 3.29Å; N209-K464 WeakPolarHBondContact OD1-CE 3.42Å; N209-K464 PolarHBondContact OD1-NZ 2.7Å; D212-K464 VanDerWaalsContact CG-NZ 3.32Å; D212-K464 WeakPolarHBondContact OD2-CD 3.21Å; D212-K464 IonicContact OD2-NZ 2.85Å; D212-K464 PolarHBondContact OD2-NZ 2.98Å; L215-K464 HydrophobicContact CD1-CD 3.66Å; L215-K464 HydrophobicContact CD1-CG 3.93Å; L215-K464 HydrophobicContact CG-CD 4.5Å; D398-K464 HydrophobicContact CB-CB 4.1Å; D398-K464 PolarHBondContact OD1-N 2.99Å; D398-K464 VanDerWaalsContact OD1-N 3.15Å; V462-K464 HydrophobicContact CG1-CG 4.28Å; V462-K464 PolarHBondContact O-N 3.32Å; K464-W487 PolarHBondContact N-O 3.17Å; K464-W487 VanDerWaalsContact N-O 3.09Å
465	S	93.8	Very high	96.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-152	151.7	178.8	52.5	0	0	0	0	109.7	D398 R402 R461 V467 W487	D398-S465 PolarHBondContact OD1-N 2.93Å; D398-S465 PolarHBondContact OD1-OG 3.27Å; D398-S465 WeakPolarHBondContact OD2-CB 3.44Å; D398-S465 PolarHBondContact OD2-OG 2.93Å; R402-S465 WeakPolarHBondContact CD-OG 3.41Å; R461-S465 PolarHBondContact NH2-O 3.09Å; R461-S465 PolarHBondContact NH2-OG 2.88Å; S465-V467 PolarHBondContact O-N 3.24Å; S465-V467 WeakPolarHBondContact OG-CG1 3.44Å; S465-W487 CarbonylContact C-O 3.42Å; S465-W487 PolarHBondContact N-O 2.83Å
466	D	93.3	Very high	96.1	Very high	37 Å²	37	22.4 Å²	22.4	20%	0.198	12%	0.115	C	C	.	.	S	Bend	trans	-78.7	46.1	-176.3	59.4	-38.1	0	0	0	113	S30 F32 W138 W487 T488	S30-D466 WeakPolarHBondContact CB-OD2 3.39Å; S30-D466 PolarHBondContact OG-OD2 2.81Å; F32-D466 HydrophobicContact CB-CB 4.42Å; W138-D466 WeakPolarHBondContact CZ3-OD1 3.43Å; D466-W487 HydrophobicContact CB-CD2 4.37Å; D466-W487 HydrophobicContact CB-CZ2 4.15Å; D466-T488 HydrophobicContact CB-CG2 3.91Å
467	V	94.6	Very high	96.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.132	C	C	.	.			trans	-133.8	146.2	174.7	64	0	0	0	0	109.4	R402 V405 R461 S465	R402-V467 HydrophobicContact CG-CG1 3.6Å; V405-V467 HydrophobicContact CG2-CG2 3.55Å; R461-V467 PolarHBondContact NH1-O 2.97Å; R461-V467 PolarHBondContact NH2-O 3.36Å; S465-V467 PolarHBondContact O-N 3.24Å; S465-V467 WeakPolarHBondContact OG-CG1 3.44Å
468	G	95.4	Very high	96.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.			trans	174.4	150.7	179.2	0	0	0	0	0	110.7	P412	P412-G468 WeakPolarHBondContact CA-O 3.47Å
469	V	97.1	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.			trans	-141.1	156.3	176.2	-70.4	0	0	0	0	110.9	Y401 V405 W410 P412 D417 K418 A421 F422 Q496	Y401-V469 PolarHBondContact OH-N 3.41Å; V405-V469 HydrophobicContact CG1-CG2 4.16Å; W410-V469 HydrophobicContact CB-CG1 3.4Å; W410-V469 VanDerWaalsContact CB-CG1 3.4Å; W410-V469 HydrophobicContact CD2-CG1 4.2Å; W410-V469 HydrophobicContact CG-CG1 3.57Å; P412-V469 CarbonylContact O-C 3.49Å; D417-V469 HydrophobicContact CB-CG1 4.41Å; K418-V469 HydrophobicContact CB-CB 4.16Å; K418-V469 HydrophobicContact CG-CB 4.45Å; K418-V469 HydrophobicContact CG-CG2 4.42Å; A421-V469 HydrophobicContact CB-CG1 4.14Å; A421-V469 HydrophobicContact CB-CG2 4.21Å; F422-V469 HydrophobicContact CD1-CG2 4.05Å; F422-V469 HydrophobicContact CE1-CG2 3.36Å; F422-V469 HydrophobicContact CZ-CG2 3.69Å; V469-Q496 PolarHBondContact O-NE2 3.19Å
470	G	96.4	Very high	95.7	Very high	16 Å²	16	33 Å²	33	17%	0.165	17%	0.166	C	C	.	.			trans	74	27.3	172.6	0	0	0	0	0	115.1	V242 P412	V242-G470 VanDerWaalsContact CG2-O 3.27Å; V242-G470 WeakPolarHBondContact CG2-O 3.4Å; P412-G470 PolarHBondContact O-N 3.12Å
471	V	97.2	Very high	95.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	20%	0.199	C	C	.	.			trans	-77.9	136.8	168.7	-174.1	0	0	0	0	108.7	V241 V242 P412 D413 R475 F476 W486 F494	V241-V471 HydrophobicContact CG1-CB 4.17Å; V241-V471 HydrophobicContact CG1-CG1 3.47Å; V241-V471 VanDerWaalsContact CG1-CG1 3.47Å; V241-V471 HydrophobicContact CG1-CG2 3.66Å; V242-V471 HydrophobicContact CG2-CG2 4.3Å; P412-V471 HydrophobicContact CB-CB 4.19Å; P412-V471 HydrophobicContact CB-CG2 3.81Å; P412-V471 PolarHBondContact O-N 3.08Å; D413-V471 VanDerWaalsContact CA-O 3.28Å; D413-V471 WeakPolarHBondContact CA-O 3.42Å; V471-R475 HydrophobicContact CG1-CB 4.4Å; V471-R475 HydrophobicContact CG1-CG 4.39Å; V471-F476 HydrophobicContact CG1-CB 3.92Å; V471-W486 HydrophobicContact CG2-CH2 3.98Å; V471-F494 HydrophobicContact CG2-CE1 3.87Å; V471-F494 HydrophobicContact CG2-CZ 4.14Å
472	D	95.9	Very high	95.5	Very high	100 Å²	100	45.2 Å²	45.2	54%	0.535	23%	0.227	S	C	.	.			trans	-61.7	142.2	172.7	178.8	-91.6	0	0	0	110.9	D474 R475 F476	D472-D474 PolarHBondContact O-N 3.27Å; D472-D474 WeakPolarHBondContact OD1-CB 3.47Å; D472-D474 PolarHBondContact OD1-N 2.94Å; D472-R475 HydrophobicContact CB-CB 4.05Å; D472-R475 PolarHBondContact O-N 2.93Å; D472-R475 PolarHBondContact OD1-N 3.38Å; D472-F476 WeakPolarHBondContact O-CB 3.36Å; D472-F476 PolarHBondContact O-N 3.39Å
473	H	96.7	Very high	95.3	Very high	99 Å²	99	47.3 Å²	47.3	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-41.5	-174.2	-176.5	69.7	0	0	0	112.9	D413 R475 F476 I477	D413-H473 HydrophobicContact CB-CB 4.47Å; D413-H473 IonicContact OD2-CE1 2.77Å; D413-H473 PolarHBondContact OD2-CE1 3.33Å; D413-H473 IonicContact OD2-CG 3.76Å; D413-H473 IonicContact OD2-ND1 3.98Å; D413-H473 PolarHBondContact OD2-ND1 3.43Å; H473-R475 VanDerWaalsContact C-N 3.35Å; H473-F476 PolarHBondContact O-N 2.94Å; H473-I477 VanDerWaalsContact NE2-CD1 3.31Å; H473-I477 WeakPolarHBondContact NE2-CD1 3.41Å; H473-I477 WeakPolarHBondContact O-CG1 3.48Å; H473-I477 PolarHBondContact O-N 3.29Å
474	D	96.7	Very high	95.2	Very high	120 Å²	120	55 Å²	55	64%	0.642	27%	0.274	S	S	*	.	H	α-helix	trans	-68.1	-41.5	179.4	-68.1	-22.6	0	0	0	109.8	D472 F476 I477 E478	D472-D474 PolarHBondContact O-N 3.27Å; D472-D474 WeakPolarHBondContact OD1-CB 3.47Å; D472-D474 PolarHBondContact OD1-N 2.94Å; D474-F476 VanDerWaalsContact C-N 3.34Å; D474-F476 PolarHBondContact O-N 2.96Å; D474-I477 PolarHBondContact O-N 2.88Å; D474-E478 WeakPolarHBondContact O-CB 3.42Å; D474-E478 PolarHBondContact O-N 3.12Å
475	R	95.6	Very high	95.1	Very high	44 Å²	44	60 Å²	60	17%	0.166	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-39.4	174.4	-174.7	53.7	170.5	163.7	1.4	112	K238 V471 D472 H473 E478 L479	K238-R475 PolarHBondContact O-NH2 2.85Å; V471-R475 HydrophobicContact CG1-CB 4.4Å; V471-R475 HydrophobicContact CG1-CG 4.39Å; D472-R475 HydrophobicContact CB-CB 4.05Å; D472-R475 PolarHBondContact O-N 2.93Å; D472-R475 PolarHBondContact OD1-N 3.38Å; H473-R475 VanDerWaalsContact C-N 3.35Å; R475-E478 WeakPolarHBondContact CD-OE2 3.45Å; R475-E478 IonicContact CZ-OE2 2.82Å; R475-E478 IonicContact NE-OE2 2.67Å; R475-E478 IonicContact NH1-OE1 3.82Å; R475-E478 PolarHBondContact NH1-OE1 2.76Å; R475-E478 IonicContact NH1-OE2 3.61Å; R475-E478 PolarHBondContact NH1-OE2 2.78Å; R475-E478 PolarHBondContact O-N 3.45Å; R475-L479 HydrophobicContact CG-CD1 4.07Å; R475-L479 WeakPolarHBondContact O-CB 3.35Å; R475-L479 WeakPolarHBondContact O-CD1 3.48Å; R475-L479 WeakPolarHBondContact O-CG 3.26Å; R475-L479 PolarHBondContact O-N 3.47Å
476	F	96.5	Very high	95.1	Very high	35 Å²	35	60 Å²	60	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176.5	176.4	-109	0	0	0	111.5	P412 D413 V471 D472 H473 D474 L479 Q480 W486	P412-F476 HydrophobicContact CB-CD2 3.91Å; P412-F476 HydrophobicContact CB-CE2 3.91Å; P412-F476 HydrophobicContact CG-CD2 4.3Å; P412-F476 HydrophobicContact CG-CE2 3.79Å; D413-F476 HydrophobicContact CB-CB 3.94Å; D413-F476 HydrophobicContact CB-CD1 4.03Å; D413-F476 HydrophobicContact CB-CG 4.01Å; V471-F476 HydrophobicContact CG1-CB 3.92Å; D472-F476 WeakPolarHBondContact O-CB 3.36Å; D472-F476 PolarHBondContact O-N 3.39Å; H473-F476 PolarHBondContact O-N 2.94Å; D474-F476 VanDerWaalsContact C-N 3.34Å; D474-F476 PolarHBondContact O-N 2.96Å; F476-L479 PolarHBondContact O-N 2.87Å; F476-Q480 HydrophobicContact CD1-CG 4.28Å; F476-Q480 HydrophobicContact CD2-CG 4.21Å; F476-Q480 HydrophobicContact CE1-CG 3.91Å; F476-Q480 HydrophobicContact CE2-CG 3.85Å; F476-Q480 HydrophobicContact CG-CG 4.43Å; F476-Q480 HydrophobicContact CZ-CG 3.69Å; F476-Q480 VanDerWaalsContact CZ-NE2 3.33Å; F476-Q480 WeakPolarHBondContact O-CB 3.36Å; F476-Q480 VanDerWaalsContact O-CG 3.25Å; F476-Q480 WeakPolarHBondContact O-CG 3.46Å; F476-Q480 PolarHBondContact O-N 2.94Å; F476-W486 HydrophobicContact CD2-CZ2 4Å; F476-W486 HydrophobicContact CE2-CZ2 4.1Å
477	I	96.7	Very high	95.1	Very high	71 Å²	71	60.6 Å²	60.6	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-61.3	-44.7	175.7	-70.6	170.7	0	0	0	111	H473 D474 L479 Q480 N481	H473-I477 VanDerWaalsContact NE2-CD1 3.31Å; H473-I477 WeakPolarHBondContact NE2-CD1 3.41Å; H473-I477 WeakPolarHBondContact O-CG1 3.48Å; H473-I477 PolarHBondContact O-N 3.29Å; D474-I477 PolarHBondContact O-N 2.88Å; I477-L479 PolarHBondContact O-N 3.27Å; I477-Q480 PolarHBondContact O-N 2.84Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.43Å; I477-N481 WeakPolarHBondContact O-CB 3.4Å; I477-N481 VanDerWaalsContact O-CG 3.28Å; I477-N481 PolarHBondContact O-N 3.49Å; I477-N481 PolarHBondContact O-ND2 3.1Å; I477-N481 VanDerWaalsContact O-ND2 3.17Å
478	E	96.1	Very high	95	Very high	103 Å²	103	61.1 Å²	61.1	48%	0.481	30%	0.3	S	S	.	.	H	α-helix	trans	-55.7	-50.7	176.7	-172.6	-167.5	171.5	0	0	111.1	D474 R475 Q480 N481 E482	D474-E478 WeakPolarHBondContact O-CB 3.42Å; D474-E478 PolarHBondContact O-N 3.12Å; R475-E478 WeakPolarHBondContact CD-OE2 3.45Å; R475-E478 IonicContact CZ-OE2 2.82Å; R475-E478 IonicContact NE-OE2 2.67Å; R475-E478 IonicContact NH1-OE1 3.82Å; R475-E478 PolarHBondContact NH1-OE1 2.76Å; R475-E478 IonicContact NH1-OE2 3.61Å; R475-E478 PolarHBondContact NH1-OE2 2.78Å; R475-E478 PolarHBondContact O-N 3.45Å; E478-Q480 PolarHBondContact O-N 3.34Å; E478-N481 PolarHBondContact O-N 3.08Å; E478-E482 PolarHBondContact O-N 2.84Å
479	L	95.7	Very high	94.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-42.9	179.1	-68.5	167.7	0	0	0	112.1	V241 R475 F476 I477 N481 E482 T483 W486 Y492	V241-L479 HydrophobicContact CB-CD1 4.38Å; V241-L479 HydrophobicContact CG1-CD1 3.73Å; V241-L479 HydrophobicContact CG2-CD1 3.81Å; R475-L479 HydrophobicContact CG-CD1 4.07Å; R475-L479 WeakPolarHBondContact O-CB 3.35Å; R475-L479 WeakPolarHBondContact O-CD1 3.48Å; R475-L479 WeakPolarHBondContact O-CG 3.26Å; R475-L479 PolarHBondContact O-N 3.47Å; F476-L479 PolarHBondContact O-N 2.87Å; I477-L479 PolarHBondContact O-N 3.27Å; L479-N481 VanDerWaalsContact C-N 3.26Å; L479-N481 PolarHBondContact O-N 3.5Å; L479-E482 PolarHBondContact O-N 3.12Å; L479-T483 CarbonylContact O-C 3.42Å; L479-T483 PolarHBondContact O-N 3.4Å; L479-W486 HydrophobicContact CB-CB 4.25Å; L479-W486 HydrophobicContact CB-CD2 4.14Å; L479-W486 HydrophobicContact CB-CG 3.81Å; L479-W486 HydrophobicContact CD1-CD2 3.99Å; L479-W486 HydrophobicContact CD1-CE3 3.94Å; L479-W486 HydrophobicContact CD1-CG 4.45Å; L479-W486 HydrophobicContact CD1-CZ3 4.31Å; L479-W486 HydrophobicContact CD2-CB 4.33Å; L479-Y492 HydrophobicContact CD2-CD1 3.64Å; L479-Y492 HydrophobicContact CD2-CE1 3.14Å; L479-Y492 HydrophobicContact CD2-CE2 4.45Å; L479-Y492 HydrophobicContact CD2-CG 4.46Å
480	Q	94.4	Very high	94.4	Very high	52 Å²	52	63.9 Å²	63.9	24%	0.243	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-33.9	177.1	-74	-66.8	-24.3	0	0	112.7	F476 I477 E478	F476-Q480 HydrophobicContact CD1-CG 4.28Å; F476-Q480 HydrophobicContact CD2-CG 4.21Å; F476-Q480 HydrophobicContact CE1-CG 3.91Å; F476-Q480 HydrophobicContact CE2-CG 3.85Å; F476-Q480 HydrophobicContact CG-CG 4.43Å; F476-Q480 HydrophobicContact CZ-CG 3.69Å; F476-Q480 VanDerWaalsContact CZ-NE2 3.33Å; F476-Q480 WeakPolarHBondContact O-CB 3.36Å; F476-Q480 VanDerWaalsContact O-CG 3.25Å; F476-Q480 WeakPolarHBondContact O-CG 3.46Å; F476-Q480 PolarHBondContact O-N 2.94Å; I477-Q480 PolarHBondContact O-N 2.84Å; E478-Q480 PolarHBondContact O-N 3.34Å
481	N	95.6	Very high	94.1	Very high	131 Å²	131	69.3 Å²	69.3	70%	0.701	34%	0.338	S	S	*	.	H	α-helix	trans	-75.8	-33.9	175.9	-71.1	-32.1	0	0	0	112.4	I477 E478 L479	I477-N481 WeakPolarHBondContact CG2-ND2 3.43Å; I477-N481 WeakPolarHBondContact O-CB 3.4Å; I477-N481 VanDerWaalsContact O-CG 3.28Å; I477-N481 PolarHBondContact O-N 3.49Å; I477-N481 PolarHBondContact O-ND2 3.1Å; I477-N481 VanDerWaalsContact O-ND2 3.17Å; E478-N481 PolarHBondContact O-N 3.08Å; L479-N481 VanDerWaalsContact C-N 3.26Å; L479-N481 PolarHBondContact O-N 3.5Å
482	E	93.4	Very high	93.9	Very high	127 Å²	127	69.8 Å²	69.8	59%	0.593	34%	0.339	S	S	*	.	H	α-helix	trans	-72.8	-52.3	175.9	-173.3	179.3	-170	0	0	111.5	E478 L479 Y492	E478-E482 PolarHBondContact O-N 2.84Å; L479-E482 PolarHBondContact O-N 3.12Å; E482-Y492 PolarHBondContact OE2-OH 2.84Å
483	T	92.4	Very high	93.9	Very high	45 Å²	45	65 Å²	65	28%	0.276	31%	0.314	S	S	.	.			trans	-161.4	128.2	175.9	177.4	0	0	0	0	112.1	L479 E485 W486 Y492	L479-T483 CarbonylContact O-C 3.42Å; L479-T483 PolarHBondContact O-N 3.4Å; T483-E485 PolarHBondContact O-N 2.79Å; T483-E485 VanDerWaalsContact O-N 3.15Å; T483-E485 PolarHBondContact OG1-N 2.75Å; T483-W486 HydrophobicContact CG2-CB 3.94Å; T483-W486 VanDerWaalsContact O-CD1 3.27Å; T483-W486 PolarHBondContact O-N 3.05Å; T483-Y492 HydrophobicContact CG2-CE2 4.3Å
484	K	91.5	Very high	94	Very high	161 Å²	161	60.3 Å²	60.3	70%	0.7	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18	175.6	-63.5	-175.5	178.6	-179	0	113.7	W487	K484-W487 PolarHBondContact O-NE1 3.29Å
485	E	91.7	Very high	94	Very high	111 Å²	111	54.7 Å²	54.7	52%	0.519	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.6	-179.1	-62.2	-174.6	134	0	0	112.6	T483 W487 T488 T489	T483-E485 PolarHBondContact O-N 2.79Å; T483-E485 VanDerWaalsContact O-N 3.15Å; T483-E485 PolarHBondContact OG1-N 2.75Å; E485-W487 PolarHBondContact O-N 3.29Å; E485-W487 VanDerWaalsContact O-N 3.07Å; E485-T488 PolarHBondContact O-N 2.8Å; E485-T488 PolarHBondContact O-OG1 3.1Å; E485-T489 HydrophobicContact CB-CG2 3.9Å; E485-T489 WeakPolarHBondContact O-CG2 3.46Å; E485-T489 PolarHBondContact O-N 2.72Å; E485-T489 VanDerWaalsContact O-N 3.12Å
486	W	93.8	Very high	94.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-43	-175.2	64.8	-92.7	0	0	0	112.8	V241 P412 V471 F476 L479 T483 T488 T489 Y492 F494	V241-W486 HydrophobicContact CB-CZ3 4.49Å; V241-W486 HydrophobicContact CG1-CH2 4.34Å; V241-W486 HydrophobicContact CG1-CZ3 3.94Å; V241-W486 HydrophobicContact CG2-CE3 4.18Å; V241-W486 HydrophobicContact CG2-CZ3 4.07Å; P412-W486 HydrophobicContact CB-CH2 4.44Å; P412-W486 HydrophobicContact CB-CZ2 4.24Å; P412-W486 HydrophobicContact CG-CZ2 4.22Å; V471-W486 HydrophobicContact CG2-CH2 3.98Å; F476-W486 HydrophobicContact CD2-CZ2 4Å; F476-W486 HydrophobicContact CE2-CZ2 4.1Å; L479-W486 HydrophobicContact CB-CB 4.25Å; L479-W486 HydrophobicContact CB-CD2 4.14Å; L479-W486 HydrophobicContact CB-CG 3.81Å; L479-W486 HydrophobicContact CD1-CD2 3.99Å; L479-W486 HydrophobicContact CD1-CE3 3.94Å; L479-W486 HydrophobicContact CD1-CG 4.45Å; L479-W486 HydrophobicContact CD1-CZ3 4.31Å; L479-W486 HydrophobicContact CD2-CB 4.33Å; T483-W486 HydrophobicContact CG2-CB 3.94Å; T483-W486 VanDerWaalsContact O-CD1 3.27Å; T483-W486 PolarHBondContact O-N 3.05Å; W486-T488 VanDerWaalsContact C-N 3.34Å; W486-T488 PolarHBondContact O-N 3.46Å; W486-T489 PolarHBondContact O-OG1 2.72Å; W486-Y492 HydrophobicContact CB-CD2 3.8Å; W486-Y492 HydrophobicContact CB-CE2 3.58Å; W486-Y492 WeakPolarHBondContact O-CD2 3.17Å; W486-F494 AromaticContact CH2-CZ 3.98Å; W486-F494 HydrophobicContact CH2-CZ 3.98Å; W486-F494 HydrophobicContact CZ3-CE2 4Å; W486-F494 AromaticContact CZ3-CZ 3.69Å; W486-F494 HydrophobicContact CZ3-CZ 3.69Å
487	W	94	Very high	94.2	Very high	49 Å²	49	51 Å²	51	19%	0.186	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.7	179.3	51.6	5.6	0	0	0	116.6	P412 A463 K464 S465 D466 K484 E485	P412-W487 HydrophobicContact CG-CE3 3.82Å; P412-W487 HydrophobicContact CG-CH2 4.12Å; P412-W487 HydrophobicContact CG-CZ3 3.32Å; A463-W487 CarbonylContact C-O 3.46Å; A463-W487 HydrophobicContact CB-CB 4.35Å; A463-W487 WeakPolarHBondContact CB-O 3.2Å; A463-W487 CarbonylContact O-C 3.39Å; A463-W487 VanDerWaalsContact O-O 3.12Å; K464-W487 PolarHBondContact N-O 3.17Å; K464-W487 VanDerWaalsContact N-O 3.09Å; S465-W487 CarbonylContact C-O 3.42Å; S465-W487 PolarHBondContact N-O 2.83Å; D466-W487 HydrophobicContact CB-CD2 4.37Å; D466-W487 HydrophobicContact CB-CZ2 4.15Å; K484-W487 PolarHBondContact O-NE1 3.29Å; E485-W487 PolarHBondContact O-N 3.29Å; E485-W487 VanDerWaalsContact O-N 3.07Å
488	T	92.6	Very high	94.2	Very high	15 Å²	15	47.6 Å²	47.6	9%	0.092	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-13.8	-178.9	53.2	0	0	0	0	113.4	F32 D466 E485 W486 G490	F32-T488 HydrophobicContact CB-CG2 4.11Å; F32-T488 HydrophobicContact CD1-CG2 4.09Å; F32-T488 HydrophobicContact CD2-CG2 3.48Å; F32-T488 VanDerWaalsContact CD2-CG2 3.48Å; F32-T488 HydrophobicContact CE1-CG2 4.42Å; F32-T488 HydrophobicContact CE2-CG2 3.87Å; F32-T488 HydrophobicContact CG-CG2 3.6Å; F32-T488 HydrophobicContact CZ-CG2 4.32Å; D466-T488 HydrophobicContact CB-CG2 3.91Å; E485-T488 PolarHBondContact O-N 2.8Å; E485-T488 PolarHBondContact O-OG1 3.1Å; W486-T488 VanDerWaalsContact C-N 3.34Å; W486-T488 PolarHBondContact O-N 3.46Å; T488-G490 PolarHBondContact O-N 3.4Å
489	T	89.6	Confident	94.1	Very high	50 Å²	50	42.7 Å²	42.7	31%	0.307	21%	0.206	S	C	.	.	S	Bend	trans	-77.5	-15.1	-174.3	56	0	0	0	0	115.3	E485 W486 K491	E485-T489 HydrophobicContact CB-CG2 3.9Å; E485-T489 WeakPolarHBondContact O-CG2 3.46Å; E485-T489 PolarHBondContact O-N 2.72Å; E485-T489 VanDerWaalsContact O-N 3.12Å; W486-T489 PolarHBondContact O-OG1 2.72Å; T489-K491 VanDerWaalsContact C-N 3.29Å; T489-K491 PolarHBondContact O-N 2.88Å
490	G	90.2	Very high	94	Very high	8 Å²	8	43 Å²	43	8%	0.082	21%	0.208	C	C	.	.	S	Bend	trans	75.3	11.8	-173.9	0	0	0	0	0	114.9	V462 A463 T488	V462-G490 WeakPolarHBondContact CG1-O 3.27Å; A463-G490 WeakPolarHBondContact O-CA 3.37Å; A463-G490 PolarHBondContact O-N 3.11Å; T488-G490 PolarHBondContact O-N 3.4Å
491	K	89.6	Confident	93.9	Very high	130 Å²	130	41.1 Å²	41.1	57%	0.565	20%	0.2	S	C	*	.			trans	-96	-9.2	-177.2	-68.2	-176.8	177.8	179.2	0	114.9	Q239 T489	Q239-K491 WeakPolarHBondContact CB-O 3.02Å; Q239-K491 PolarHBondContact NE2-O 3.39Å; T489-K491 VanDerWaalsContact C-N 3.29Å; T489-K491 PolarHBondContact O-N 2.88Å
492	Y	94.2	Very high	93.6	Very high	15 Å²	15	35.1 Å²	35.1	6%	0.059	17%	0.168	C	C	.	.			trans	-125.7	146.1	-169.3	-67.1	-84	0	0	0	110.7	Q239 V241 V462 A463 L479 E482 T483 W486	Q239-Y492 VanDerWaalsContact O-CA 3.28Å; Q239-Y492 WeakPolarHBondContact O-CA 3.22Å; V241-Y492 HydrophobicContact CG2-CD1 3.89Å; V241-Y492 HydrophobicContact CG2-CG 4.1Å; V462-Y492 CarbonylContact C-O 3.55Å; V462-Y492 WeakPolarHBondContact CA-O 3.25Å; A463-Y492 WeakPolarHBondContact CB-O 3.36Å; A463-Y492 PolarHBondContact N-O 3.47Å; L479-Y492 HydrophobicContact CD2-CD1 3.64Å; L479-Y492 HydrophobicContact CD2-CE1 3.14Å; L479-Y492 HydrophobicContact CD2-CE2 4.45Å; L479-Y492 HydrophobicContact CD2-CG 4.46Å; E482-Y492 PolarHBondContact OE2-OH 2.84Å; T483-Y492 HydrophobicContact CG2-CE2 4.3Å; W486-Y492 HydrophobicContact CB-CD2 3.8Å; W486-Y492 HydrophobicContact CB-CE2 3.58Å; W486-Y492 WeakPolarHBondContact O-CD2 3.17Å
493	G	95.4	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.9	-168.4	0	0	0	0	0	113.8	W207 Q239 L240 V241 R461	W207-G493 VanDerWaalsContact CH2-N 3.25Å; Q239-G493 PolarHBondContact O-N 3.26Å; L240-G493 WeakPolarHBondContact CA-O 3.48Å; V241-G493 PolarHBondContact N-O 3.35Å; R461-G493 CarbonylContact O-C 3.46Å; R461-G493 WeakPolarHBondContact O-CA 3.28Å
494	F	97.8	Very high	92.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.8	177.9	-69.5	-100.6	0	0	0	109.3	V241 V242 L460 R461 A463 V471 W486 Q496	V241-F494 HydrophobicContact CB-CE1 4.24Å; V241-F494 HydrophobicContact CB-CE2 4.3Å; V241-F494 HydrophobicContact CB-CZ 4.07Å; V241-F494 HydrophobicContact CG1-CE1 4.04Å; V241-F494 HydrophobicContact CG1-CZ 3.91Å; V242-F494 HydrophobicContact CB-CD1 3.86Å; V242-F494 HydrophobicContact CB-CE1 4.41Å; V242-F494 HydrophobicContact CG2-CD1 3.71Å; V242-F494 HydrophobicContact CG2-CE1 3.75Å; L460-F494 WeakPolarHBondContact CA-O 3.47Å; R461-F494 HydrophobicContact CB-CB 4.25Å; R461-F494 HydrophobicContact CG-CD2 4.43Å; R461-F494 PolarHBondContact N-O 3.01Å; R461-F494 PolarHBondContact O-N 3.45Å; A463-F494 HydrophobicContact CB-CD2 4.3Å; A463-F494 HydrophobicContact CB-CE2 3.81Å; V471-F494 HydrophobicContact CG2-CE1 3.87Å; V471-F494 HydrophobicContact CG2-CZ 4.14Å; W486-F494 AromaticContact CH2-CZ 3.98Å; W486-F494 HydrophobicContact CH2-CZ 3.98Å; W486-F494 HydrophobicContact CZ3-CE2 4Å; W486-F494 AromaticContact CZ3-CZ 3.69Å; W486-F494 HydrophobicContact CZ3-CZ 3.69Å; F494-Q496 HydrophobicContact CB-CG 4.2Å; F494-Q496 HydrophobicContact CD1-CG 4.09Å
495	I	98.1	Very high	90.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.3	159.1	-57.6	175.6	0	0	0	104.9	L202 L206 L240 V242 D244 L460	L202-I495 HydrophobicContact CD2-CD1 3.93Å; L202-I495 HydrophobicContact CD2-CG2 4.06Å; L202-I495 HydrophobicContact CG-CD1 4.28Å; L206-I495 HydrophobicContact CD2-CD1 4.13Å; L206-I495 HydrophobicContact CD2-CG1 3.65Å; L240-I495 HydrophobicContact CD1-CD1 4.17Å; L240-I495 HydrophobicContact CD2-CD1 4.18Å; L240-I495 HydrophobicContact CD2-CG1 4.04Å; V242-I495 PolarHBondContact O-N 3.16Å; D244-I495 PolarHBondContact N-O 3.23Å; L460-I495 HydrophobicContact CD2-CB 4.24Å; L460-I495 HydrophobicContact CD2-CG1 3.97Å; L460-I495 HydrophobicContact CD2-CG2 3.95Å
496	Q	97.6	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.1	-173.2	-76.7	-170	-47.4	0	0	112	V242 D244 Y401 V458 A459 V469 F494	V242-Q496 HydrophobicContact CB-CG 3.78Å; V242-Q496 HydrophobicContact CG1-CG 3.56Å; V242-Q496 HydrophobicContact CG2-CG 4.49Å; D244-Q496 WeakPolarHBondContact OD2-CA 3.47Å; Y401-Q496 PolarHBondContact OH-OE1 2.65Å; V458-Q496 CarbonylContact C-O 3.58Å; V458-Q496 VanDerWaalsContact CA-O 3.27Å; V458-Q496 WeakPolarHBondContact CA-O 3.45Å; A459-Q496 PolarHBondContact N-O 2.73Å; A459-Q496 PolarHBondContact O-N 3.21Å; V469-Q496 PolarHBondContact O-NE2 3.19Å; F494-Q496 HydrophobicContact CB-CG 4.2Å; F494-Q496 HydrophobicContact CD1-CG 4.09Å
497	I	97.5	Very high	87.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.1	165	-64.3	168.3	0	0	0	107.6	D244 A247 L248 P447 M456 V458	D244-I497 HydrophobicContact CB-CB 4.4Å; D244-I497 HydrophobicContact CB-CD1 4.04Å; D244-I497 HydrophobicContact CB-CG1 3.89Å; D244-I497 PolarHBondContact OD2-N 3.12Å; A247-I497 HydrophobicContact CB-CD1 3.74Å; L248-I497 HydrophobicContact CB-CD1 4.42Å; P447-I497 HydrophobicContact CB-CB 3.85Å; P447-I497 HydrophobicContact CB-CD1 3.55Å; P447-I497 HydrophobicContact CB-CG1 4.27Å; P447-I497 HydrophobicContact CB-CG2 3.89Å; P447-I497 HydrophobicContact CG-CB 3.9Å; P447-I497 HydrophobicContact CG-CD1 3.96Å; P447-I497 HydrophobicContact CG-CG1 4.41Å; P447-I497 HydrophobicContact CG-CG2 4.43Å; M456-I497 HydrophobicContact CE-CD1 4.44Å; M456-I497 HydrophobicContact CG-CG2 4.32Å; M456-I497 HydrophobicContact SD-CD1 4.06Å; M456-I497 HydrophobicContact SD-CG1 4.32Å; V458-I497 HydrophobicContact CG2-CG1 4.24Å
498	V	96.8	Very high	87.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-42.4	-179.8	178.2	0	0	0	0	110.6	L404 F422 V425 V457 A459	L404-V498 HydrophobicContact CD1-CG2 4.16Å; L404-V498 HydrophobicContact CD2-CG1 4.29Å; F422-V498 HydrophobicContact CB-CG1 4.05Å; F422-V498 WeakPolarHBondContact CB-O 3.47Å; F422-V498 HydrophobicContact CD1-CB 4.45Å; F422-V498 HydrophobicContact CD1-CG1 3.76Å; F422-V498 HydrophobicContact CD1-CG2 4.44Å; F422-V498 HydrophobicContact CD2-CB 4.46Å; F422-V498 HydrophobicContact CD2-CG1 4.35Å; F422-V498 HydrophobicContact CE1-CG1 4.27Å; F422-V498 HydrophobicContact CE1-CG2 4.12Å; F422-V498 HydrophobicContact CE2-CG2 4.48Å; F422-V498 HydrophobicContact CG-CB 4.39Å; F422-V498 HydrophobicContact CG-CG1 3.8Å; F422-V498 HydrophobicContact CZ-CG2 4.15Å; V425-V498 HydrophobicContact CB-CG1 4.44Å; V457-V498 HydrophobicContact CB-CB 4.33Å; V457-V498 HydrophobicContact CG1-CB 4.04Å; V457-V498 HydrophobicContact CG1-CG1 4.5Å; V457-V498 PolarHBondContact O-N 2.79Å; A459-V498 HydrophobicContact CB-CG2 4.08Å
499	S	95.2	Very high	87.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	138.4	178.4	177.4	0	0	0	0	110.5	V425 Q426 R429 M456 V457	V425-S499 WeakPolarHBondContact O-CB 3.46Å; Q426-S499 PolarHBondContact OE1-OG 3.05Å; R429-S499 WeakPolarHBondContact CD-OG 3.35Å; R429-S499 PolarHBondContact NE-OG 3.21Å; M456-S499 CarbonylContact C-O 3.43Å; M456-S499 WeakPolarHBondContact CA-O 3.33Å; V457-S499 PolarHBondContact N-O 2.94Å; V457-S499 PolarHBondContact O-N 3.14Å
500	P	93.2	Very high	87.1	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.039	21%	0.208	C	C	.	.	S	Bend	cis	-86.2	141	-0.9	27	-14.2	0	0	0	110.8	R429 I448 C451	R429-P500 VanDerWaalsContact CZ-CG 3.41Å; I448-P500 HydrophobicContact CB-CB 4.24Å; I448-P500 HydrophobicContact CB-CG 4.01Å; I448-P500 HydrophobicContact CD1-CB 4.39Å; I448-P500 PolarHBondContact N-O 2.9Å; I448-P500 WeakPolarHBondContact O-CG 3.45Å; C451-P500 HydrophobicContact CB-CB 4.49Å; C451-P500 HydrophobicContact CB-CG 3.72Å
501	I	91.8	Very high	86.9	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.067	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-115.6	158.1	167.7	57.3	159.4	0	0	0	109.8	I419 F422 D446 S503	I419-I501 HydrophobicContact CG1-CD1 4.36Å; F422-I501 HydrophobicContact CB-CD1 3.73Å; F422-I501 HydrophobicContact CB-CG1 4.37Å; F422-I501 HydrophobicContact CD2-CD1 4.05Å; F422-I501 HydrophobicContact CD2-CG2 4.28Å; F422-I501 HydrophobicContact CG-CD1 4.4Å; D446-I501 CarbonylContact O-C 3.55Å; D446-I501 VanDerWaalsContact O-CA 3.23Å; D446-I501 WeakPolarHBondContact O-CA 3.38Å; I501-S503 PolarHBondContact O-N 2.81Å
502	V	89.9	Confident	86.7	Confident	6 Å²	6	27.3 Å²	27.3	4%	0.036	19%	0.192	C	C	.	.			trans	-68.4	110.9	169.8	179.2	0	0	0	0	108.5	L439 P442 K443 L444 G445 D446 I448	L439-V502 HydrophobicContact CD1-CG2 3.73Å; P442-V502 HydrophobicContact CB-CG1 3.8Å; P442-V502 HydrophobicContact CB-CG2 4.06Å; K443-V502 WeakPolarHBondContact O-CB 3.18Å; K443-V502 WeakPolarHBondContact O-CG1 3.46Å; L444-V502 HydrophobicContact CD2-CG1 4.32Å; G445-V502 PolarHBondContact N-O 3.41Å; D446-V502 HydrophobicContact CB-CG2 4.44Å; D446-V502 PolarHBondContact O-N 3.22Å; I448-V502 HydrophobicContact CD1-CG2 4.06Å; I448-V502 HydrophobicContact CG1-CG2 3.8Å
503	S	84.6	Confident	86.2	Confident	31 Å²	31	28.2 Å²	28.2	22%	0.217	20%	0.202	C	C	.	.			trans	-109.5	157.2	166	65.4	0	0	0	0	109.7	I501 A505	I501-S503 PolarHBondContact O-N 2.81Å; S503-A505 PolarHBondContact O-N 2.77Å
504	S	71.1	Confident	85.5	Confident	81 Å²	81	30.4 Å²	30.4	57%	0.566	22%	0.217	S	C	*	.			trans	-56.2	135.5	163.4	50.2	0	0	0	0	108	L444 S506	L444-S504 VanDerWaalsContact CD2-N 3.32Å; S504-S506 PolarHBondContact O-N 3.2Å; S504-S506 VanDerWaalsContact O-N 3.16Å
505	A	56.6	Low	84.5	Confident	80 Å²	80	32.9 Å²	32.9	66%	0.661	24%	0.236	S	C	*	.			trans	-59.9	121.7	167.1	0	0	0	0	0	107	S503	S503-A505 PolarHBondContact O-N 2.77Å
506	S	41.3	Very low	83.2	Confident	176 Å²	176	35.8 Å²	35.8	100%	1.231	26%	0.257	S	S	*	.			trans	-57.3	0	170.8	57.8	0	0	0	0	110.9	S504	S504-S506 PolarHBondContact O-N 3.2Å; S504-S506 VanDerWaalsContact O-N 3.16Å

Retrieved 506 of 506 residues in 135.7 ms (Link to these results)

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