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Beta-hexosaminidase subunit beta AlphaSync

Hydrolyzes the non-reducing end N-acetyl-D-hexosamine and/or sulfated N-acetyl-D-hexosamine of glycoconjugates, such as the oligosaccharide moieties from proteins and neutral glycolipids, or from certain mucopolysaccharides^1,2,3,4. The isozyme B does not hydrolyze each of these substrates, however hydrolyzes efficiently neutral oligosaccharide⁵. Only the isozyme A is responsible for the degradation of GM2 gangliosides in the presence of GM2A^6,7,8. During fertilization is responsible, at least in part, for the zona block to polyspermy. Present in the cortical granules of non-activated oocytes, is exocytosed during the cortical reaction in response to oocyte activation and inactivates the sperm galactosyltransferase-binding site, accounting for the block in sperm binding to the zona pellucida (By similarity).

AlphaFold DB , UniProt , Accession P07686, Species HUMAN (Homo sapiens, Human), Gene HEXB, Length 556 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	37.4	Very low	42.9	Very low	242 Å²	242	152.7 Å²	152.7	100%	1.192	87%	0.867	S	S	*	*				0	117.3	0	-82.3	168.8	-175.5	0	0	107.2
2	E	37.7	Very low	44.5	Very low	186 Å²	186	146.8 Å²	146.8	87%	0.869	84%	0.839	S	S	*	*			trans	6.4	132.5	165.2	-65.3	169.4	142.9	0	0	119.2
3	L	39	Very low	45.9	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	83%	0.831	S	S	*	*				-171.9	120.1	116.2	-95.5	152.5	0	0	0	112.7
4	C	37.2	Very low	47.4	Very low	119 Å²	119	146.1 Å²	146.1	80%	0.804	82%	0.822	S	S	*	*			trans	-11.6	120.9	159.5	-70.1	0	0	0	0	119.1
5	G	39.6	Very low	49	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	80%	0.804	S	S	*	*			trans	-88.5	113.7	154.2	0	0	0	0	0	110.4
6	L	40.4	Very low	50.5	Low	171 Å²	171	138.3 Å²	138.3	90%	0.895	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-59.4	133.2	-177.5	-75.2	144.7	0	0	0	113.1
7	G	38.8	Very low	51.9	Low	74 Å²	74	136.4 Å²	136.4	76%	0.763	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.7	135.3	169.7	0	0	0	0	0	112.1
8	L	44.2	Very low	53.4	Low	169 Å²	169	133.8 Å²	133.8	89%	0.885	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-60.3	132.8	168.6	-79.8	149.5	0	0	0	110.3	R10	L8-R10 PolarHBondContact O-N 2.9Å
9	P	46.3	Very low	54.8	Low	118 Å²	118	132.2 Å²	132.2	77%	0.766	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.8	126.7	176	30.9	-30.6	0	0	0	108.7
10	R	55.1	Low	56.1	Low	234 Å²	234	128.7 Å²	128.7	88%	0.883	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.4	164.3	-70.7	178.6	175.2	179.2	-2	107.8	L8	L8-R10 PolarHBondContact O-N 2.9Å
11	P	56.6	Low	57.3	Low	112 Å²	112	126.5 Å²	126.5	73%	0.727	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-58.3	144.3	173.5	27	-32.1	0	0	0	107.9	M13	P11-M13 PolarHBondContact O-N 3.46Å
12	P	61.5	Low	59.5	Low	82 Å²	82	119.6 Å²	119.6	53%	0.532	69%	0.689	S	S	.	*			trans	-65.3	114.1	-177.4	27.3	-30.3	0	0	0	106.5	L14 L15	P12-L14 PolarHBondContact O-N 3.04Å; P12-L15 HydrophobicContact CG-CB 3.9Å; P12-L15 PolarHBondContact O-N 3.06Å
13	M	62.5	Low	61.7	Low	150 Å²	150	116.2 Å²	116.2	74%	0.739	68%	0.677	S	S	*	*	H	α-helix	trans	-49.6	-25.8	177.6	-161.6	174.4	174.1	0	0	111.6	P11 L17	P11-M13 PolarHBondContact O-N 3.46Å; M13-L17 HydrophobicContact CG-CD1 4.28Å; M13-L17 WeakPolarHBondContact O-CD1 3.32Å; M13-L17 PolarHBondContact O-N 3.04Å; M13-L17 VanDerWaalsContact O-N 3.09Å
14	L	67.2	Low	63.7	Low	134 Å²	134	110.9 Å²	110.9	70%	0.702	66%	0.658	S	S	*	*	H	α-helix	trans	-59.9	-42.7	169.9	-94.3	97.2	0	0	0	114.8	P12 L17 L18	P12-L14 PolarHBondContact O-N 3.04Å; L14-L17 PolarHBondContact O-N 3.47Å; L14-L18 WeakPolarHBondContact O-CB 3.03Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.94Å
15	L	72.3	Confident	65.9	Low	104 Å²	104	108.1 Å²	108.1	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-71.1	-38.2	-176.4	-165.2	79	0	0	0	111.2	P12 L18 L19	P12-L15 HydrophobicContact CG-CB 3.9Å; P12-L15 PolarHBondContact O-N 3.06Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 PolarHBondContact O-N 2.87Å
16	A	72.4	Confident	68.1	Low	63 Å²	63	109.9 Å²	109.9	52%	0.521	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-41.6	173.8	0	0	0	0	0	111.8	A20	A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 2.91Å
17	L	74.9	Confident	70.1	Confident	105 Å²	105	107 Å²	107	55%	0.55	62%	0.616	S	S	.	*	H	α-helix	trans	-62.3	-44.4	172.7	-106.6	96.3	0	0	0	111.7	M13 L14 L19 A20 T21	M13-L17 HydrophobicContact CG-CD1 4.28Å; M13-L17 WeakPolarHBondContact O-CD1 3.32Å; M13-L17 PolarHBondContact O-N 3.04Å; M13-L17 VanDerWaalsContact O-N 3.09Å; L14-L17 PolarHBondContact O-N 3.47Å; L17-L19 PolarHBondContact O-N 2.84Å; L17-A20 PolarHBondContact O-N 3.21Å; L17-T21 WeakPolarHBondContact O-CG2 3.37Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 2.79Å
18	L	78.6	Confident	72	Confident	91 Å²	91	105.8 Å²	105.8	48%	0.476	60%	0.598	S	S	.	*	H	α-helix	trans	-59.3	-47.5	178.3	-83.7	158.9	0	0	0	111.6	L14 L15 A20 T21 L22	L14-L18 WeakPolarHBondContact O-CB 3.03Å; L14-L18 WeakPolarHBondContact O-CD1 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.46Å; L14-L18 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-A20 PolarHBondContact O-N 3.02Å; L18-T21 WeakPolarHBondContact CA-OG1 3.39Å; L18-T21 PolarHBondContact O-N 2.77Å; L18-T21 PolarHBondContact O-OG1 3.15Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 3.05Å
19	L	79.8	Confident	73.8	Confident	102 Å²	102	103 Å²	103	53%	0.534	58%	0.583	S	S	.	*	H	α-helix	trans	-61	-43.3	176	-83.9	155.8	0	0	0	112.4	L15 L17 L22 L23	L15-L19 HydrophobicContact CG-CD1 4.43Å; L15-L19 PolarHBondContact O-N 2.87Å; L17-L19 PolarHBondContact O-N 2.84Å; L19-L22 PolarHBondContact O-N 3.07Å; L19-L23 PolarHBondContact O-N 3.46Å
20	A	79.9	Confident	75.5	Confident	62 Å²	62	102.9 Å²	102.9	51%	0.512	58%	0.576	S	S	.	*	H	α-helix	trans	-63.9	-41.3	176.7	0	0	0	0	0	112.1	A16 L17 L18 L23 A24	A16-A20 WeakPolarHBondContact O-CB 3.46Å; A16-A20 PolarHBondContact O-N 2.91Å; L17-A20 PolarHBondContact O-N 3.21Å; L18-A20 PolarHBondContact O-N 3.02Å; A20-L23 PolarHBondContact O-N 3.01Å; A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 3.44Å
21	T	82.3	Confident	76.5	Confident	83 Å²	83	96 Å²	96	51%	0.509	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-37.6	175.9	55.9	0	0	0	0	112.6	L17 L18 A24 A25	L17-T21 WeakPolarHBondContact O-CG2 3.37Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 2.79Å; L18-T21 WeakPolarHBondContact CA-OG1 3.39Å; L18-T21 PolarHBondContact O-N 2.77Å; L18-T21 PolarHBondContact O-OG1 3.15Å; T21-A24 PolarHBondContact O-N 3.14Å; T21-A25 VanDerWaalsContact O-CB 3.32Å; T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.47Å
22	L	83.2	Confident	77.1	Confident	98 Å²	98	96.8 Å²	96.8	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-44	174.2	-97.1	146.6	0	0	0	111.7	L18 L19 A25 M26	L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 PolarHBondContact O-N 3.05Å; L19-L22 PolarHBondContact O-N 3.07Å; L22-A25 PolarHBondContact O-N 2.9Å; L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 2.95Å
23	L	83.8	Confident	77.9	Confident	115 Å²	115	96.6 Å²	96.6	60%	0.602	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-44.1	176	-116.7	105.6	0	0	0	111.8	L19 A20 A25 M26 L27	L19-L23 PolarHBondContact O-N 3.46Å; A20-L23 PolarHBondContact O-N 3.01Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.07Å; L23-M26 PolarHBondContact O-N 3.26Å; L23-L27 PolarHBondContact O-N 3.02Å
24	A	82.2	Confident	78.3	Confident	61 Å²	61	92 Å²	92	50%	0.504	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-41	177	0	0	0	0	0	111.7	A20 T21 L27 A28	A20-A24 WeakPolarHBondContact O-CB 3.22Å; A20-A24 PolarHBondContact O-N 3.44Å; T21-A24 PolarHBondContact O-N 3.14Å; A24-L27 PolarHBondContact O-N 3.38Å; A24-A28 WeakPolarHBondContact O-CB 3.02Å; A24-A28 PolarHBondContact O-N 3.4Å
25	A	82.7	Confident	78.3	Confident	60 Å²	60	90.8 Å²	90.8	50%	0.496	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-40.2	175	0	0	0	0	0	112	T21 L22 L23 A28 L29	T21-A25 VanDerWaalsContact O-CB 3.32Å; T21-A25 WeakPolarHBondContact O-CB 3.46Å; T21-A25 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 2.9Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.07Å; A25-A28 PolarHBondContact O-N 3.15Å; A25-L29 WeakPolarHBondContact O-CB 3.21Å; A25-L29 PolarHBondContact O-N 3.05Å
26	M	84.6	Confident	78.2	Confident	120 Å²	120	90.5 Å²	90.5	59%	0.591	53%	0.533	S	S	*	.	H	α-helix	trans	-64.7	-42.1	174.3	-75	-170.2	-177.6	0	0	112.1	L22 L23 L29 L30	L22-M26 WeakPolarHBondContact O-CG 3.47Å; L22-M26 PolarHBondContact O-N 2.95Å; L23-M26 PolarHBondContact O-N 3.26Å; M26-L29 PolarHBondContact O-N 3.44Å; M26-L30 WeakPolarHBondContact O-CB 3.37Å; M26-L30 WeakPolarHBondContact O-CG 3.17Å; M26-L30 PolarHBondContact O-N 3.29Å
27	L	82.8	Confident	78	Confident	110 Å²	110	91.2 Å²	91.2	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-42.1	174.5	-112.1	90.6	0	0	0	112	L23 A24 L29 L30 T31	L23-L27 PolarHBondContact O-N 3.02Å; A24-L27 PolarHBondContact O-N 3.38Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L30 PolarHBondContact O-N 2.91Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 WeakPolarHBondContact O-CG2 3.39Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 3.43Å
28	A	79.4	Confident	77.4	Confident	48 Å²	48	90.4 Å²	90.4	40%	0.397	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-39.4	176	0	0	0	0	0	111.6	A24 A25 T31 Q32	A24-A28 WeakPolarHBondContact O-CB 3.02Å; A24-A28 PolarHBondContact O-N 3.4Å; A25-A28 PolarHBondContact O-N 3.15Å; A28-T31 VanDerWaalsContact CA-OG1 3.32Å; A28-T31 WeakPolarHBondContact CA-OG1 3.31Å; A28-T31 PolarHBondContact O-OG1 3.27Å; A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.3Å; A28-Q32 PolarHBondContact O-N 3.16Å
29	L	81.5	Confident	76.4	Confident	110 Å²	110	90.5 Å²	90.5	58%	0.576	53%	0.528	S	S	*	.	H	α-helix	trans	-68.2	-42.7	175.9	-156.8	80.7	0	0	0	111.3	A25 M26 L27 T31 Q32 V33	A25-L29 WeakPolarHBondContact O-CB 3.21Å; A25-L29 PolarHBondContact O-N 3.05Å; M26-L29 PolarHBondContact O-N 3.44Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L29-T31 PolarHBondContact O-N 3.46Å; L29-Q32 PolarHBondContact O-N 3.38Å; L29-V33 WeakPolarHBondContact O-CB 3.49Å; L29-V33 VanDerWaalsContact O-CG2 3.22Å; L29-V33 WeakPolarHBondContact O-CG2 3.08Å; L29-V33 PolarHBondContact O-N 2.74Å
30	L	81.2	Confident	75.4	Confident	117 Å²	117	87.9 Å²	87.9	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-62.2	-42.6	176.3	-79.1	163	0	0	0	112	M26 L27 V33 A34	M26-L30 WeakPolarHBondContact O-CB 3.37Å; M26-L30 WeakPolarHBondContact O-CG 3.17Å; M26-L30 PolarHBondContact O-N 3.29Å; L27-L30 PolarHBondContact O-N 2.91Å; L30-V33 PolarHBondContact O-N 3.3Å; L30-A34 WeakPolarHBondContact O-CB 3.29Å; L30-A34 PolarHBondContact O-N 3.32Å
31	T	77.2	Confident	74.3	Confident	89 Å²	89	89.1 Å²	89.1	55%	0.546	52%	0.517	S	S	.	.	H	α-helix	trans	-67.5	-40.4	175.8	48.2	0	0	0	0	111.8	L27 A28 L29 A34 L35	L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 WeakPolarHBondContact O-CG2 3.39Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 3.43Å; A28-T31 VanDerWaalsContact CA-OG1 3.32Å; A28-T31 WeakPolarHBondContact CA-OG1 3.31Å; A28-T31 PolarHBondContact O-OG1 3.27Å; L29-T31 PolarHBondContact O-N 3.46Å; T31-A34 PolarHBondContact O-N 2.04Å; T31-L35 WeakPolarHBondContact O-CB 3.5Å; T31-L35 PolarHBondContact O-N 2.96Å
32	Q	70	Confident	72.9	Confident	128 Å²	128	87 Å²	87	60%	0.598	51%	0.507	S	S	*	.	H	α-helix	trans	-63	-42.9	172.3	-81.2	-174.7	-7.2	0	0	112.3	A28 L29 L35 V36	A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 WeakPolarHBondContact O-CG 3.3Å; A28-Q32 PolarHBondContact O-N 3.16Å; L29-Q32 PolarHBondContact O-N 3.38Å; Q32-L35 PolarHBondContact O-N 2.61Å; Q32-V36 WeakPolarHBondContact O-CB 3.47Å; Q32-V36 VanDerWaalsContact O-CG2 3.24Å; Q32-V36 WeakPolarHBondContact O-CG2 3.06Å; Q32-V36 PolarHBondContact O-N 2.78Å
33	V	76.9	Confident	71.3	Confident	79 Å²	79	86.4 Å²	86.4	48%	0.479	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-43	176.8	170.9	0	0	0	0	110.6	L29 L30 L35 V36 V37	L29-V33 WeakPolarHBondContact O-CB 3.49Å; L29-V33 VanDerWaalsContact O-CG2 3.22Å; L29-V33 WeakPolarHBondContact O-CG2 3.08Å; L29-V33 PolarHBondContact O-N 2.74Å; L30-V33 PolarHBondContact O-N 3.3Å; V33-L35 VanDerWaalsContact C-N 3.32Å; V33-L35 PolarHBondContact O-N 3.33Å; V33-V36 PolarHBondContact O-N 3.42Å; V33-V37 HydrophobicContact CG1-CG2 4.23Å; V33-V37 WeakPolarHBondContact O-CB 3.48Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 3.29Å
34	A	71.2	Confident	69.5	Low	53 Å²	53	91 Å²	91	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-42	174.7	0	0	0	0	0	111.8	L30 T31 V37 Q38	L30-A34 WeakPolarHBondContact O-CB 3.29Å; L30-A34 PolarHBondContact O-N 3.32Å; T31-A34 PolarHBondContact O-N 2.04Å; A34-V37 PolarHBondContact O-N 2.96Å; A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 WeakPolarHBondContact O-CG 3.35Å; A34-Q38 PolarHBondContact O-N 3.31Å
35	L	67.7	Low	67.8	Low	109 Å²	109	89.6 Å²	89.6	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-65.8	-43.6	176.2	-153.7	86	0	0	0	111.6	T31 Q32 V33 Q38 V39	T31-L35 WeakPolarHBondContact O-CB 3.5Å; T31-L35 PolarHBondContact O-N 2.96Å; Q32-L35 PolarHBondContact O-N 2.61Å; V33-L35 VanDerWaalsContact C-N 3.32Å; V33-L35 PolarHBondContact O-N 3.33Å; L35-Q38 PolarHBondContact O-N 2.95Å; L35-V39 VanDerWaalsContact O-CG2 3.27Å; L35-V39 WeakPolarHBondContact O-CG2 3.47Å; L35-V39 PolarHBondContact O-N 3.09Å
36	V	69.7	Low	66	Low	97 Å²	97	90.6 Å²	90.6	59%	0.588	52%	0.516	S	S	*	.	H	α-helix	trans	-65.2	-39.6	177.4	170.4	0	0	0	0	111	Q32 V33 V39 A40	Q32-V36 WeakPolarHBondContact O-CB 3.47Å; Q32-V36 VanDerWaalsContact O-CG2 3.24Å; Q32-V36 WeakPolarHBondContact O-CG2 3.06Å; Q32-V36 PolarHBondContact O-N 2.78Å; V33-V36 PolarHBondContact O-N 3.42Å; V36-V39 PolarHBondContact O-N 3.12Å; V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 3.04Å
37	V	68.9	Low	64	Low	78 Å²	78	90.5 Å²	90.5	47%	0.473	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-43.2	173.8	173.4	0	0	0	0	110.3	V33 A34 A40 E41	V33-V37 HydrophobicContact CG1-CG2 4.23Å; V33-V37 WeakPolarHBondContact O-CB 3.48Å; V33-V37 WeakPolarHBondContact O-CG2 3.44Å; V33-V37 PolarHBondContact O-N 3.29Å; A34-V37 PolarHBondContact O-N 2.96Å; V37-A40 PolarHBondContact O-N 2.89Å; V37-E41 WeakPolarHBondContact O-CB 3.23Å; V37-E41 WeakPolarHBondContact O-CG 3.4Å; V37-E41 PolarHBondContact O-N 2.69Å
38	Q	60.9	Low	62.2	Low	88 Å²	88	87.3 Å²	87.3	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.1	-81.2	-179.5	-26	0	0	112.7	A34 L35 E41 A42	A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 WeakPolarHBondContact O-CG 3.35Å; A34-Q38 PolarHBondContact O-N 3.31Å; L35-Q38 PolarHBondContact O-N 2.95Å; Q38-E41 PolarHBondContact O-N 3.05Å; Q38-A42 VanDerWaalsContact O-CB 3.32Å; Q38-A42 WeakPolarHBondContact O-CB 3.47Å; Q38-A42 PolarHBondContact O-N 3.21Å
39	V	59.1	Low	60.5	Low	93 Å²	93	89.1 Å²	89.1	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-68.4	-36.6	176.7	174.7	0	0	0	0	110.9	L35 V36 A42 A43	L35-V39 VanDerWaalsContact O-CG2 3.27Å; L35-V39 WeakPolarHBondContact O-CG2 3.47Å; L35-V39 PolarHBondContact O-N 3.09Å; V36-V39 PolarHBondContact O-N 3.12Å; V39-A42 WeakPolarHBondContact O-CB 3.49Å; V39-A42 PolarHBondContact O-N 3.48Å; V39-A43 WeakPolarHBondContact O-CB 3.09Å; V39-A43 PolarHBondContact O-N 3.42Å
40	A	58.9	Low	59.1	Low	48 Å²	48	86.3 Å²	86.3	40%	0.397	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-35.7	174.9	0	0	0	0	0	112.3	V36 V37 R44	V36-A40 WeakPolarHBondContact O-CB 3.48Å; V36-A40 PolarHBondContact O-N 3.04Å; V37-A40 PolarHBondContact O-N 2.89Å; A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 WeakPolarHBondContact O-CG 3.41Å; A40-R44 PolarHBondContact O-N 3.18Å; A40-R44 VanDerWaalsContact O-N 3.1Å
41	E	56.6	Low	57.9	Low	88 Å²	88	88.5 Å²	88.5	41%	0.411	52%	0.519	S	S	.	.	H	α-helix	trans	-67.7	-39	170.5	-78.4	-169.2	140.6	0	0	111.5	V37 Q38 R44 A45 R461	V37-E41 WeakPolarHBondContact O-CB 3.23Å; V37-E41 WeakPolarHBondContact O-CG 3.4Å; V37-E41 PolarHBondContact O-N 2.69Å; Q38-E41 PolarHBondContact O-N 3.05Å; E41-R44 PolarHBondContact O-N 3.02Å; E41-A45 PolarHBondContact O-N 3.37Å; E41-R461 IonicContact OE1-NH1 3.71Å; E41-R461 PolarHBondContact OE1-NH1 3.1Å
42	A	52.2	Low	57.5	Low	37 Å²	37	88.6 Å²	88.6	31%	0.306	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-42	173.6	0	0	0	0	0	112.5	Q38 V39 R44 A45 Y547	Q38-A42 VanDerWaalsContact O-CB 3.32Å; Q38-A42 WeakPolarHBondContact O-CB 3.47Å; Q38-A42 PolarHBondContact O-N 3.21Å; V39-A42 WeakPolarHBondContact O-CB 3.49Å; V39-A42 PolarHBondContact O-N 3.48Å; A42-R44 PolarHBondContact O-N 3.3Å; A42-A45 PolarHBondContact O-N 3.31Å; A42-Y547 VanDerWaalsContact CA-OH 3.26Å; A42-Y547 WeakPolarHBondContact CA-OH 3.39Å; A42-Y547 WeakPolarHBondContact CB-OH 3.19Å
43	A	49.7	Very low	58.1	Low	86 Å²	86	83.3 Å²	83.3	71%	0.711	50%	0.501	S	S	*	.	H	α-helix	trans	-72.4	-17.1	177.1	0	0	0	0	0	113.3	V39	V39-A43 WeakPolarHBondContact O-CB 3.09Å; V39-A43 PolarHBondContact O-N 3.42Å
44	R	46.9	Very low	58.9	Low	212 Å²	212	80.8 Å²	80.8	80%	0.8	49%	0.486	S	S	*	.	H	α-helix	trans	-92.4	-8.9	174.5	-83.7	-178.6	178	-175.1	0.1	114	A40 E41 A42 P46	A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 WeakPolarHBondContact O-CG 3.41Å; A40-R44 PolarHBondContact O-N 3.18Å; A40-R44 VanDerWaalsContact O-N 3.1Å; E41-R44 PolarHBondContact O-N 3.02Å; A42-R44 PolarHBondContact O-N 3.3Å; R44-P46 WeakPolarHBondContact O-CD 3.26Å
45	A	46.2	Very low	60.1	Low	31 Å²	31	78.3 Å²	78.3	26%	0.256	47%	0.466	S	S	.	.	S	Bend	trans	-62.4	110.1	173.8	0	0	0	0	0	107.8	E41 A42 S47 Y547	E41-A45 PolarHBondContact O-N 3.37Å; A42-A45 PolarHBondContact O-N 3.31Å; A45-S47 PolarHBondContact O-N 2.74Å; A45-Y547 HydrophobicContact CB-CD1 3.54Å; A45-Y547 HydrophobicContact CB-CE1 3.4Å; A45-Y547 VanDerWaalsContact CB-CE1 3.4Å
46	P	44.6	Very low	61.6	Low	82 Å²	82	73.6 Å²	73.6	53%	0.532	44%	0.441	S	S	.	.			trans	-58.2	137.5	173.8	-12.5	27.3	0	0	0	106.2	R44 V48	R44-P46 WeakPolarHBondContact O-CD 3.26Å; P46-V48 HydrophobicContact CB-CG2 4.23Å; P46-V48 WeakPolarHBondContact O-CG2 3.36Å; P46-V48 PolarHBondContact O-N 2.85Å
47	S	41.7	Very low	63	Low	118 Å²	118	69 Å²	69	83%	0.825	41%	0.413	S	S	*	.			trans	-60.7	91.5	158.9	57	0	0	0	0	105.9	A45 S49	A45-S47 PolarHBondContact O-N 2.74Å; S47-S49 PolarHBondContact O-N 3.36Å
48	V	45.1	Very low	64.4	Low	42 Å²	42	65.3 Å²	65.3	26%	0.255	39%	0.391	S	S	.	.			trans	-72.3	76.2	177.1	-174.8	0	0	0	0	106.1	P46 A50 Y526	P46-V48 HydrophobicContact CB-CG2 4.23Å; P46-V48 WeakPolarHBondContact O-CG2 3.36Å; P46-V48 PolarHBondContact O-N 2.85Å; V48-A50 PolarHBondContact O-N 2.84Å; V48-A50 VanDerWaalsContact O-N 3.16Å; V48-Y526 HydrophobicContact CG2-CE1 4Å
49	S	44.2	Very low	66.2	Low	86 Å²	86	63.1 Å²	63.1	60%	0.601	38%	0.382	S	S	*	.			trans	-57.6	111.2	150.2	173.7	0	0	0	0	104.8	S47 K51	S47-S49 PolarHBondContact O-N 3.36Å; S49-K51 PolarHBondContact O-N 3.4Å
50	A	53.4	Low	68.1	Low	51 Å²	51	59 Å²	59	42%	0.421	36%	0.357	S	S	.	.			trans	-49.9	103.3	-178.3	0	0	0	0	0	109.5	V48 P52	V48-A50 PolarHBondContact O-N 2.84Å; V48-A50 VanDerWaalsContact O-N 3.16Å; A50-P52 WeakPolarHBondContact O-CD 3.45Å
51	K	55.8	Low	70	Confident	163 Å²	163	61.1 Å²	61.1	71%	0.709	36%	0.361	S	S	*	.			trans	-62.9	127.8	171	-83.1	-176.9	177.8	176	0	106.9	S49 G53	S49-K51 PolarHBondContact O-N 3.4Å; K51-G53 PolarHBondContact O-N 2.97Å
52	P	67.2	Low	72	Confident	91 Å²	91	60.2 Å²	60.2	59%	0.591	36%	0.358	S	S	*	.	S	Bend	trans	-56.2	133.8	173.5	-20.8	30.8	0	0	0	109.8	A50	A50-P52 WeakPolarHBondContact O-CD 3.45Å
53	G	83.3	Confident	74.2	Confident	17 Å²	17	60.7 Å²	60.7	18%	0.175	36%	0.358	C	S	.	.	S	Bend	trans	150.6	179.7	177.9	0	0	0	0	0	113.5	K51 R531	K51-G53 PolarHBondContact O-N 2.97Å; G53-R531 PolarHBondContact O-NH2 2.6Å
54	P	93.7	Very high	76.5	Confident	26 Å²	26	62.8 Å²	62.8	17%	0.169	35%	0.351	C	S	.	.			trans	-81.5	144.8	179	33.1	-35.2	0	0	0	112.2	M65 L178 R531	P54-M65 HydrophobicContact CG-CE 4.47Å; P54-M65 HydrophobicContact CG-SD 3.9Å; P54-L178 HydrophobicContact CB-CD2 4.1Å; P54-L178 HydrophobicContact CG-CD2 4.48Å; P54-R531 PolarHBondContact O-NH1 3.37Å; P54-R531 PolarHBondContact O-NH2 3.48Å
55	A	96.5	Very high	78.9	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	34%	0.335	C	S	.	.			trans	-122.9	104.3	174.1	0	0	0	0	0	108.7	R531 R535	A55-R531 HydrophobicContact CB-CB 3.48Å; A55-R531 VanDerWaalsContact CB-CB 3.48Å; A55-R531 HydrophobicContact CB-CG 4.48Å; A55-R535 VanDerWaalsContact O-CZ 3.29Å; A55-R535 PolarHBondContact O-NH1 3.01Å; A55-R535 PolarHBondContact O-NH2 2.6Å
56	L	98.7	Very high	81.3	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.052	34%	0.338	C	S	.	.			trans	-89.8	126.7	-177.5	-64.4	176	0	0	0	110.6	L59 P60 V63 T174 Q177 L178 I194 R528	L56-L59 HydrophobicContact CB-CD1 4.18Å; L56-L59 HydrophobicContact CD1-CD1 4.49Å; L56-P60 HydrophobicContact CD1-CG 4.14Å; L56-V63 HydrophobicContact CD1-CG1 4.2Å; L56-V63 HydrophobicContact CD1-CG2 3.94Å; L56-T174 HydrophobicContact CD2-CG2 4.16Å; L56-Q177 HydrophobicContact CD2-CB 3.82Å; L56-L178 HydrophobicContact CD1-CD2 4.17Å; L56-L178 HydrophobicContact CD2-CD2 3.8Å; L56-L178 HydrophobicContact CD2-CG 4.11Å; L56-L178 HydrophobicContact CG-CD2 4.3Å; L56-I194 HydrophobicContact CD1-CD1 4.37Å; L56-R528 WeakPolarHBondContact O-CD 3.27Å; L56-R528 PolarHBondContact O-NH1 2.59Å
57	W	98.8	Very high	83.8	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-150.4	123.9	174.8	-166.1	-77.9	0	0	0	111.5	Q177 Y464 S507 E511 A525 R528 L529 H532	W57-Q177 PolarHBondContact O-NE2 3.46Å; W57-Q177 PolarHBondContact O-OE1 3.47Å; W57-Y464 HydrophobicContact CH2-CD2 4.09Å; W57-Y464 AromaticContact CH2-CE2 3.73Å; W57-Y464 HydrophobicContact CH2-CE2 3.73Å; W57-Y464 HydrophobicContact CZ2-CD2 4.47Å; W57-Y464 HydrophobicContact CZ2-CE2 4.28Å; W57-S507 VanDerWaalsContact CE2-O 3.32Å; W57-S507 WeakPolarHBondContact CZ2-O 3.27Å; W57-S507 PolarHBondContact NE1-O 2.97Å; W57-E511 HydrophobicContact CD2-CB 4.39Å; W57-E511 HydrophobicContact CH2-CB 4.03Å; W57-E511 HydrophobicContact CH2-CG 4.41Å; W57-E511 HydrophobicContact CZ2-CB 3.38Å; W57-E511 HydrophobicContact CZ2-CG 4.22Å; W57-A525 HydrophobicContact CZ3-CB 4.43Å; W57-R528 HydrophobicContact CE3-CB 4.09Å; W57-R528 VanDerWaalsContact CE3-NH1 3.27Å; W57-L529 HydrophobicContact CD2-CD1 3.79Å; W57-L529 HydrophobicContact CE3-CB 3.9Å; W57-L529 HydrophobicContact CE3-CD1 3.97Å; W57-L529 HydrophobicContact CE3-CG 4.5Å; W57-L529 HydrophobicContact CG-CD1 4.46Å; W57-L529 HydrophobicContact CH2-CB 3.96Å; W57-L529 HydrophobicContact CH2-CD1 3.93Å; W57-L529 HydrophobicContact CH2-CD2 3.99Å; W57-L529 HydrophobicContact CH2-CG 4.17Å; W57-L529 HydrophobicContact CZ2-CD1 3.73Å; W57-L529 HydrophobicContact CZ2-CD2 4.29Å; W57-L529 HydrophobicContact CZ2-CG 4.43Å; W57-L529 HydrophobicContact CZ3-CB 3.57Å; W57-L529 HydrophobicContact CZ3-CD1 4.05Å; W57-L529 HydrophobicContact CZ3-CD2 4.47Å; W57-L529 HydrophobicContact CZ3-CG 4.22Å; W57-H532 HydrophobicContact CB-CB 3.78Å; W57-H532 AromaticContact CD1-CD2 3.54Å; W57-H532 AromaticContact CD1-NE2 3.66Å; W57-H532 HydrophobicContact CG-CB 4.25Å; W57-H532 AromaticContact CG-CD2 3.59Å; W57-H532 AromaticContact CG-CG 3.89Å
58	P	98.9	Very high	86.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.331	C	S	.	.	S	Bend	cis	-55.8	152.9	-15.9	-27.5	38	0	0	0	113	P60 K230 E511 W514	P58-P60 WeakPolarHBondContact O-CD 3.35Å; P58-K230 HydrophobicContact CG-CB 4.38Å; P58-K230 HydrophobicContact CG-CD 4.5Å; P58-E511 WeakPolarHBondContact CA-OE2 3.17Å; P58-E511 HydrophobicContact CB-CB 4.23Å; P58-E511 HydrophobicContact CB-CG 4.37Å; P58-W514 HydrophobicContact CB-CB 3.68Å; P58-W514 HydrophobicContact CB-CG 3.7Å; P58-W514 HydrophobicContact CG-CB 3.7Å; P58-W514 HydrophobicContact CG-CG 3.91Å
59	L	98.8	Very high	88.7	Confident	42 Å²	42	60.2 Å²	60.2	22%	0.22	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.9	122	173.4	-169.9	66.2	0	0	0	110.6	L56 E511 S515 V519	L56-L59 HydrophobicContact CB-CD1 4.18Å; L56-L59 HydrophobicContact CD1-CD1 4.49Å; L59-E511 PolarHBondContact N-OE2 2.61Å; L59-S515 PolarHBondContact N-OG 3.44Å; L59-S515 WeakPolarHBondContact O-CB 3.36Å; L59-S515 PolarHBondContact O-OG 2.99Å; L59-V519 HydrophobicContact CB-CG1 4.2Å; L59-V519 HydrophobicContact CD2-CG1 3.85Å; L59-V519 HydrophobicContact CD2-CG2 4.06Å
60	P	98.8	Very high	91.3	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.039	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.8	154	178.1	-26.1	36.1	0	0	0	113.3	L56 P58 L62 V63 T174 I194 D196	L56-P60 HydrophobicContact CD1-CG 4.14Å; P58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-L62 VanDerWaalsContact C-N 3.31Å; P60-L62 PolarHBondContact O-N 2.8Å; P60-V63 HydrophobicContact CB-CG2 3.75Å; P60-V63 HydrophobicContact CG-CG2 3.9Å; P60-T174 HydrophobicContact CG-CG2 4.01Å; P60-I194 HydrophobicContact CB-CG2 3.55Å; P60-I194 HydrophobicContact CG-CD1 4.38Å; P60-I194 HydrophobicContact CG-CG2 3.96Å; P60-D196 VanDerWaalsContact CA-OD1 3.28Å; P60-D196 WeakPolarHBondContact CA-OD1 3.29Å; P60-D196 HydrophobicContact CB-CB 3.95Å
61	L	98.6	Very high	93.2	Very high	94 Å²	94	55.6 Å²	55.6	49%	0.492	30%	0.299	S	S	.	.	S	Bend	trans	-53.2	-44.6	-179.3	179.3	65.2	0	0	0	113.3	D196	L61-D196 PolarHBondContact N-OD1 3.03Å
62	L	98.6	Very high	95.1	Very high	68 Å²	68	48 Å²	48	36%	0.356	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	125.6	175.7	-177.8	72.6	0	0	0	110.1	P60 I194 I195	P60-L62 VanDerWaalsContact C-N 3.31Å; P60-L62 PolarHBondContact O-N 2.8Å; L62-I194 VanDerWaalsContact O-CA 3.32Å; L62-I194 WeakPolarHBondContact O-CA 3.33Å; L62-I195 HydrophobicContact CB-CB 4.26Å; L62-I195 HydrophobicContact CD2-CB 4.39Å; L62-I195 HydrophobicContact CD2-CD1 4.01Å; L62-I195 HydrophobicContact CD2-CG1 4.29Å; L62-I195 PolarHBondContact N-O 2.91Å; L62-I195 PolarHBondContact O-N 2.81Å; L62-I195 VanDerWaalsContact O-N 3.08Å
63	V	98.5	Very high	96.3	Very high	48 Å²	48	44.5 Å²	44.5	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.2	175.2	-178.1	0	0	0	0	109.3	L56 P60 M65 I194	L56-V63 HydrophobicContact CD1-CG1 4.2Å; L56-V63 HydrophobicContact CD1-CG2 3.94Å; P60-V63 HydrophobicContact CB-CG2 3.75Å; P60-V63 HydrophobicContact CG-CG2 3.9Å; V63-M65 HydrophobicContact CG1-CG 3.83Å; V63-M65 HydrophobicContact CG1-SD 4.5Å; V63-I194 HydrophobicContact CG1-CG1 4.31Å; V63-I194 HydrophobicContact CG2-CD1 4.43Å; V63-I194 HydrophobicContact CG2-CG1 4.33Å
64	K	98.5	Very high	96.7	Very high	130 Å²	130	45 Å²	45	57%	0.565	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	101.2	171.1	-64.4	-177.9	-178.2	-179.6	0	108.6	S192 T193	K64-S192 CarbonylContact O-C 3.58Å; K64-S192 WeakPolarHBondContact O-CA 3.22Å; K64-S192 WeakPolarHBondContact O-CB 3.2Å; K64-T193 PolarHBondContact N-O 2.95Å; K64-T193 PolarHBondContact O-N 3.42Å
65	M	97	Very high	96.5	Very high	97 Å²	97	51.6 Å²	51.6	48%	0.478	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.2	175	-67.9	-168.3	-64.3	0	0	110.6	P54 V63	P54-M65 HydrophobicContact CG-CE 4.47Å; P54-M65 HydrophobicContact CG-SD 3.9Å; V63-M65 HydrophobicContact CG1-CG 3.83Å; V63-M65 HydrophobicContact CG1-SD 4.5Å
66	T	97.6	Very high	96.2	Very high	51 Å²	51	54.9 Å²	54.9	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	163.2	168.5	77.4	0	0	0	0	109.5	N68 N190 E191	T66-N68 PolarHBondContact O-N 3.3Å; T66-N68 PolarHBondContact OG1-N 3.03Å; T66-N190 PolarHBondContact O-ND2 3.34Å; T66-E191 PolarHBondContact N-O 2.68Å; T66-E191 WeakPolarHBondContact OG1-CB 2.83Å; T66-E191 PolarHBondContact OG1-O 3.4Å
67	P	95.6	Very high	96.1	Very high	115 Å²	115	54.5 Å²	54.5	75%	0.747	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	-3.8	172.9	32.2	-36.2	0	0	0	113.4	L69	P67-L69 PolarHBondContact O-N 2.7Å
68	N	95.9	Very high	96	Very high	87 Å²	87	60.5 Å²	60.5	47%	0.465	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	121.7	-179.6	-62.3	-20.3	0	0	0	109.5	T66 N190 E191	T66-N68 PolarHBondContact O-N 3.3Å; T66-N68 PolarHBondContact OG1-N 3.03Å; N68-N190 WeakPolarHBondContact O-CA 3.45Å; N68-E191 HydrophobicContact CB-CB 4.01Å; N68-E191 PolarHBondContact ND2-OE2 2.88Å; N68-E191 PolarHBondContact O-N 2.67Å
69	L	95.5	Very high	96	Very high	81 Å²	81	61.4 Å²	61.4	42%	0.424	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.5	177.8	-58.6	-178.2	0	0	0	109.7	P67 Y180 T188 N190	P67-L69 PolarHBondContact O-N 2.7Å; L69-Y180 WeakPolarHBondContact CD2-OH 3.41Å; L69-T188 HydrophobicContact CB-CG2 4.15Å; L69-T188 HydrophobicContact CD1-CG2 4.43Å; L69-T188 HydrophobicContact CD2-CG2 4.01Å; L69-T188 HydrophobicContact CG-CG2 4.42Å; L69-N190 WeakPolarHBondContact CD2-OD1 3.45Å
70	L	96.8	Very high	96	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	158.7	171.7	-49.7	175.7	0	0	0	109	T122 V124 V153 E155 T188 I189 E191	L70-T122 CarbonylContact C-O 3.48Å; L70-T122 VanDerWaalsContact CA-O 3.22Å; L70-T122 WeakPolarHBondContact CA-O 3.28Å; L70-V124 HydrophobicContact CB-CG2 3.76Å; L70-V124 HydrophobicContact CD1-CG2 3.63Å; L70-V124 HydrophobicContact CG-CG2 4.32Å; L70-V153 HydrophobicContact CD1-CG1 4.32Å; L70-E155 HydrophobicContact CD2-CB 4.2Å; L70-E155 HydrophobicContact CD2-CG 4.32Å; L70-T188 WeakPolarHBondContact O-CA 3.42Å; L70-I189 HydrophobicContact CB-CG2 3.94Å; L70-I189 PolarHBondContact N-O 2.68Å; L70-I189 PolarHBondContact O-N 2.86Å; L70-E191 HydrophobicContact CD1-CB 4.14Å; L70-E191 HydrophobicContact CG-CB 4.42Å
71	H	95.3	Very high	96	Very high	30 Å²	30	62 Å²	62	14%	0.139	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.1	-176.6	-52.4	-63.5	0	0	0	112	F118 T122 Q123 V124 F187	H71-F118 HydrophobicContact CB-CD1 4.21Å; H71-F118 HydrophobicContact CB-CD2 4.42Å; H71-F118 HydrophobicContact CB-CE1 4.26Å; H71-F118 HydrophobicContact CB-CE2 4.48Å; H71-F118 HydrophobicContact CB-CG 4.31Å; H71-F118 HydrophobicContact CB-CZ 4.42Å; H71-F118 AromaticContact CD2-CD1 3.4Å; H71-F118 WeakPolarHBondContact CD2-CD1 3.04Å; H71-F118 AromaticContact CD2-CE1 3.76Å; H71-F118 AromaticContact CG-CD1 3.79Å; H71-F118 AromaticContact CG-CE1 3.78Å; H71-F118 AromaticContact NE2-CD1 3.95Å; H71-T122 PolarHBondContact CD2-OG1 3.26Å; H71-T122 PolarHBondContact N-O 2.74Å; H71-Q123 WeakPolarHBondContact O-CA 3.45Å; H71-V124 PolarHBondContact O-N 3.46Å; H71-F187 VanDerWaalsContact CA-O 3.3Å; H71-F187 WeakPolarHBondContact CA-O 3.47Å
72	L	95	Very high	96	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	30%	0.304	C	S	.	.			trans	-119.5	136.1	176.3	-59.3	86.2	0	0	0	109.3	F77 F106 V124 F175 V179 F187 I189	L72-F77 HydrophobicContact CD2-CD1 4.45Å; L72-F77 HydrophobicContact CD2-CD2 3.81Å; L72-F77 HydrophobicContact CD2-CE1 4.37Å; L72-F77 HydrophobicContact CD2-CE2 3.73Å; L72-F77 HydrophobicContact CD2-CG 4.16Å; L72-F77 HydrophobicContact CD2-CZ 4.01Å; L72-F77 HydrophobicContact CG-CD2 4.37Å; L72-F106 HydrophobicContact CB-CE1 4.12Å; L72-F106 HydrophobicContact CB-CZ 4.16Å; L72-F106 HydrophobicContact CD2-CZ 4.28Å; L72-V124 HydrophobicContact CG-CB 4.47Å; L72-F175 HydrophobicContact CD2-CE1 4.35Å; L72-F175 HydrophobicContact CD2-CZ 4.17Å; L72-V179 HydrophobicContact CD1-CG1 4.23Å; L72-V179 HydrophobicContact CD1-CG2 4.26Å; L72-V179 HydrophobicContact CD2-CG2 4.02Å; L72-F187 HydrophobicContact CB-CB 4.13Å; L72-F187 PolarHBondContact N-O 3.18Å; L72-I189 HydrophobicContact CD1-CB 3.92Å; L72-I189 HydrophobicContact CD1-CG2 3.59Å
73	A	92.2	Very high	95.9	Very high	18 Å²	18	61.1 Å²	61.1	15%	0.149	33%	0.327	C	S	.	.			trans	-103.6	118.8	173.4	0	0	0	0	0	109.1	E75 N76 F77	A73-E75 VanDerWaalsContact C-N 3.29Å; A73-E75 PolarHBondContact O-N 3.37Å; A73-N76 HydrophobicContact CB-CB 4.43Å; A73-N76 CarbonylContact O-C 3.48Å; A73-N76 PolarHBondContact O-N 3.1Å; A73-F77 VanDerWaalsContact O-CB 3.32Å; A73-F77 WeakPolarHBondContact O-CB 3.25Å; A73-F77 PolarHBondContact O-N 2.82Å
74	P	91.1	Very high	95.8	Very high	27 Å²	27	64.4 Å²	64.4	18%	0.175	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-53.9	-42.4	-175.6	-26.8	33.1	0	0	0	113.8	N76 F106 F187	P74-N76 VanDerWaalsContact C-N 3.26Å; P74-N76 PolarHBondContact O-N 3.14Å; P74-F106 HydrophobicContact CB-CB 4.31Å; P74-F106 HydrophobicContact CB-CD1 3.85Å; P74-F106 HydrophobicContact CB-CE1 4.25Å; P74-F106 HydrophobicContact CB-CG 3.98Å; P74-F106 HydrophobicContact CG-CD1 3.67Å; P74-F106 HydrophobicContact CG-CE1 4.02Å; P74-F106 HydrophobicContact CG-CG 4.28Å; P74-F187 HydrophobicContact CG-CD2 3.72Å; P74-F187 HydrophobicContact CG-CE2 3.51Å; P74-F187 HydrophobicContact CG-CZ 4.43Å
75	E	89.5	Confident	95.8	Very high	165 Å²	165	59.1 Å²	59.1	77%	0.771	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-75.7	-10.3	-177.2	-59.7	-58.8	146.2	0	0	114	A73	A73-E75 VanDerWaalsContact C-N 3.29Å; A73-E75 PolarHBondContact O-N 3.37Å
76	N	91.1	Very high	95.9	Very high	71 Å²	71	58 Å²	58	38%	0.38	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-138.8	18.9	-173.4	-161.4	39.3	0	0	0	113.6	A73 P74 Y78	A73-N76 HydrophobicContact CB-CB 4.43Å; A73-N76 CarbonylContact O-C 3.48Å; A73-N76 PolarHBondContact O-N 3.1Å; P74-N76 VanDerWaalsContact C-N 3.26Å; P74-N76 PolarHBondContact O-N 3.14Å; N76-Y78 WeakPolarHBondContact O-CE2 3.23Å; N76-Y78 WeakPolarHBondContact OD1-CE2 3.32Å; N76-Y78 PolarHBondContact OD1-OH 3.35Å
77	F	96.1	Very high	95.9	Very high	2 Å²	2	56 Å²	56	1%	0.009	31%	0.309	C	S	.	.			trans	-103.9	127.5	173.1	175.3	-94.7	0	0	0	110	L72 A73 I79 H102 F106 V124 Q125 L127 F175	L72-F77 HydrophobicContact CD2-CD1 4.45Å; L72-F77 HydrophobicContact CD2-CD2 3.81Å; L72-F77 HydrophobicContact CD2-CE1 4.37Å; L72-F77 HydrophobicContact CD2-CE2 3.73Å; L72-F77 HydrophobicContact CD2-CG 4.16Å; L72-F77 HydrophobicContact CD2-CZ 4.01Å; L72-F77 HydrophobicContact CG-CD2 4.37Å; A73-F77 VanDerWaalsContact O-CB 3.32Å; A73-F77 WeakPolarHBondContact O-CB 3.25Å; A73-F77 PolarHBondContact O-N 2.82Å; F77-I79 HydrophobicContact CE1-CD1 4.26Å; F77-I79 HydrophobicContact CE1-CG1 3.63Å; F77-I79 HydrophobicContact CZ-CG1 4.22Å; F77-H102 PolarHBondContact O-NE2 2.95Å; F77-F106 HydrophobicContact CB-CE2 4.26Å; F77-F106 HydrophobicContact CB-CZ 3.94Å; F77-F106 AromaticContact CD1-CE2 3.71Å; F77-F106 HydrophobicContact CD1-CE2 3.71Å; F77-F106 AromaticContact CD1-CZ 3.81Å; F77-F106 HydrophobicContact CD1-CZ 3.81Å; F77-F106 HydrophobicContact CE1-CE2 4.49Å; F77-F106 HydrophobicContact CG-CE2 4.32Å; F77-F106 HydrophobicContact CG-CZ 4.04Å; F77-V124 HydrophobicContact CD2-CG1 4.46Å; F77-V124 HydrophobicContact CE2-CG1 3.97Å; F77-Q125 WeakPolarHBondContact CA-O 3.36Å; F77-L127 HydrophobicContact CE2-CB 4.29Å; F77-L127 HydrophobicContact CZ-CB 3.74Å; F77-F175 HydrophobicContact CE1-CE1 4.23Å; F77-F175 HydrophobicContact CE2-CE1 4.48Å; F77-F175 HydrophobicContact CE2-CZ 4.11Å; F77-F175 AromaticContact CZ-CE1 3.63Å; F77-F175 HydrophobicContact CZ-CE1 3.63Å; F77-F175 AromaticContact CZ-CZ 3.65Å; F77-F175 HydrophobicContact CZ-CZ 3.65Å
78	Y	97	Very high	96	Very high	125 Å²	125	51.5 Å²	51.5	49%	0.49	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	-177.9	-50.2	-84.5	0	0	0	112	N76 Q125 Q126 L127	N76-Y78 WeakPolarHBondContact O-CE2 3.23Å; N76-Y78 WeakPolarHBondContact OD1-CE2 3.32Å; N76-Y78 PolarHBondContact OD1-OH 3.35Å; Y78-Q125 PolarHBondContact N-O 2.94Å; Y78-Q125 VanDerWaalsContact N-O 3.14Å; Y78-Q126 CarbonylContact O-C 3.48Å; Y78-Q126 VanDerWaalsContact O-CA 3.28Å; Y78-Q126 WeakPolarHBondContact O-CA 3.36Å; Y78-Q126 WeakPolarHBondContact O-CG 3.49Å; Y78-L127 PolarHBondContact O-N 3.01Å
79	I	98.7	Very high	96.1	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.7	165	-50.8	175.8	0	0	0	106.9	F77 F98 I105 L127 V129 L172	F77-I79 HydrophobicContact CE1-CD1 4.26Å; F77-I79 HydrophobicContact CE1-CG1 3.63Å; F77-I79 HydrophobicContact CZ-CG1 4.22Å; I79-F98 HydrophobicContact CB-CB 4.08Å; I79-F98 HydrophobicContact CB-CD1 4.4Å; I79-F98 HydrophobicContact CB-CG 4.15Å; I79-F98 HydrophobicContact CG2-CB 4.07Å; I79-F98 HydrophobicContact CG2-CD1 3.45Å; I79-F98 VanDerWaalsContact CG2-CD1 3.45Å; I79-F98 HydrophobicContact CG2-CD2 4.24Å; I79-F98 HydrophobicContact CG2-CE1 3.93Å; I79-F98 HydrophobicContact CG2-CG 3.65Å; I79-F98 HydrophobicContact CG2-CZ 4.48Å; I79-I105 HydrophobicContact CD1-CD1 4.38Å; I79-L127 WeakPolarHBondContact CA-O 3.43Å; I79-L127 HydrophobicContact CG1-CB 4.38Å; I79-L127 HydrophobicContact CG1-CD2 4.47Å; I79-L127 HydrophobicContact CG2-CD2 4.27Å; I79-L127 HydrophobicContact CG2-CG 4.49Å; I79-V129 HydrophobicContact CG2-CG2 3.9Å; I79-L172 HydrophobicContact CD1-CD2 4.33Å; I79-L172 HydrophobicContact CG2-CD2 3.94Å
80	S	98.4	Very high	96.2	Very high	29 Å²	29	53.8 Å²	53.8	20%	0.203	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	166.4	-173.1	53.5	0	0	0	0	112.2	Q126 L127 L128 V129	S80-Q126 PolarHBondContact OG-NE2 2.58Å; S80-L127 PolarHBondContact N-O 3.34Å; S80-L127 VanDerWaalsContact N-O 3.1Å; S80-L128 WeakPolarHBondContact O-CA 3.47Å; S80-V129 PolarHBondContact O-N 2.84Å
81	H	98.7	Very high	96.2	Very high	30 Å²	30	53.5 Å²	53.5	14%	0.139	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.7	177.3	-58.2	-79.4	0	0	0	111.3	A87 G88 E95 F98	H81-A87 PolarHBondContact ND1-O 2.94Å; H81-G88 PolarHBondContact CE1-O 3.42Å; H81-G88 PolarHBondContact NE2-O 3.07Å; H81-E95 IonicContact CD2-OE1 2.92Å; H81-E95 PolarHBondContact CD2-OE1 3.34Å; H81-E95 IonicContact CE1-OE1 2.72Å; H81-E95 IonicContact NE2-OE1 3.7Å; H81-E95 PolarHBondContact NE2-OE1 2.67Å; H81-F98 AromaticContact CD2-CE2 3.9Å; H81-F98 AromaticContact CE1-CE2 3.62Å; H81-F98 AromaticContact CE1-CZ 3.81Å; H81-F98 AromaticContact NE2-CE2 3.52Å
82	S	98.3	Very high	96.4	Very high	16 Å²	16	56 Å²	56	11%	0.112	33%	0.327	C	S	.	.			trans	-64.3	143	165.6	-177.1	0	0	0	0	110.1	N84 S85 V129	S82-N84 VanDerWaalsContact CB-OD1 3.28Å; S82-N84 WeakPolarHBondContact CB-OD1 3.49Å; S82-N84 PolarHBondContact O-N 3.2Å; S82-N84 PolarHBondContact OG-OD1 3.39Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 3.26Å; S82-V129 PolarHBondContact N-O 3.41Å
83	P	97.4	Very high	96.5	Very high	129 Å²	129	55.9 Å²	55.9	84%	0.838	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.7	178.3	-25.4	34.1	0	0	0	114.8
84	N	96.9	Very high	96.9	Very high	116 Å²	116	55 Å²	55	62%	0.62	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	6.1	178.1	70.8	-9.1	0	0	0	114.1	S82 S130	S82-N84 VanDerWaalsContact CB-OD1 3.28Å; S82-N84 WeakPolarHBondContact CB-OD1 3.49Å; S82-N84 PolarHBondContact O-N 3.2Å; S82-N84 PolarHBondContact OG-OD1 3.39Å; N84-S130 PolarHBondContact OD1-OG 3.05Å
85	S	98.4	Very high	97.2	Very high	20 Å²	20	57.1 Å²	57.1	14%	0.14	33%	0.326	C	S	.	.			trans	-70.3	142.3	177.6	-173.9	0	0	0	0	110.6	S82 A87 I131	S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 3.26Å; S85-A87 VanDerWaalsContact CB-O 3.27Å; S85-A87 WeakPolarHBondContact CB-O 3.23Å; S85-A87 PolarHBondContact OG-N 3.19Å; S85-A87 PolarHBondContact OG-O 2.88Å; S85-A87 VanDerWaalsContact OG-O 3.05Å; S85-I131 PolarHBondContact OG-N 2.8Å
86	T	98.4	Very high	97.6	Very high	74 Å²	74	52.2 Å²	52.2	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	-73.8	-18.4	169	60.9	0	0	0	0	112.6	I131 L133	T86-I131 PolarHBondContact N-O 2.73Å; T86-I131 WeakPolarHBondContact OG1-CG2 3.39Å; T86-I131 PolarHBondContact OG1-O 3.05Å; T86-L133 WeakPolarHBondContact CB-O 3.24Å; T86-L133 WeakPolarHBondContact CG2-O 3.41Å; T86-L133 PolarHBondContact OG1-O 3.12Å
87	A	98.1	Very high	98	Very high	8 Å²	8	48.9 Å²	48.9	7%	0.066	29%	0.286	C	S	.	.			trans	-95.5	144.8	170.6	0	0	0	0	0	110.2	H81 S85 C91 L94 I131	H81-A87 PolarHBondContact ND1-O 2.94Å; S85-A87 VanDerWaalsContact CB-O 3.27Å; S85-A87 WeakPolarHBondContact CB-O 3.23Å; S85-A87 PolarHBondContact OG-N 3.19Å; S85-A87 PolarHBondContact OG-O 2.88Å; S85-A87 VanDerWaalsContact OG-O 3.05Å; A87-C91 HydrophobicContact CB-CB 4.3Å; A87-L94 HydrophobicContact CB-CD1 3.69Å; A87-I131 HydrophobicContact CB-CB 4.33Å; A87-I131 HydrophobicContact CB-CG1 3.84Å
88	G	97	Very high	98.1	Very high	20 Å²	20	49.3 Å²	49.3	21%	0.206	29%	0.288	C	S	.	.			trans	-134.7	-166.3	174.1	0	0	0	0	0	112	H81 S90 C91	H81-G88 PolarHBondContact CE1-O 3.42Å; H81-G88 PolarHBondContact NE2-O 3.07Å; G88-S90 PolarHBondContact O-N 3.49Å; G88-C91 VanDerWaalsContact O-CB 3.29Å; G88-C91 WeakPolarHBondContact O-CB 3.19Å; G88-C91 PolarHBondContact O-N 3.32Å
89	P	97.5	Very high	98.2	Very high	109 Å²	109	51.3 Å²	51.3	71%	0.708	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.2	-176.2	-26.5	35.5	0	0	0	115.4	C91 E95	P89-C91 PolarHBondContact O-N 3.28Å; P89-E95 WeakPolarHBondContact O-CG 3.25Å
90	S	97.4	Very high	98.1	Very high	108 Å²	108	52 Å²	52	76%	0.755	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-10.7	173.8	59.1	0	0	0	0	113.7	G88 T92	G88-S90 PolarHBondContact O-N 3.49Å; S90-T92 PolarHBondContact O-N 3.23Å; S90-T92 VanDerWaalsContact O-N 3.13Å
91	C	98.5	Very high	98.1	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.02	29%	0.287	C	S	.	.			trans	-82.2	86.2	179.6	-178.2	0	0	0	0	111.2	A87 G88 P89 L93 L94 E95 C137	A87-C91 HydrophobicContact CB-CB 4.3Å; G88-C91 VanDerWaalsContact O-CB 3.29Å; G88-C91 WeakPolarHBondContact O-CB 3.19Å; G88-C91 PolarHBondContact O-N 3.32Å; P89-C91 PolarHBondContact O-N 3.28Å; C91-L93 PolarHBondContact O-N 3.38Å; C91-L93 VanDerWaalsContact O-N 3.1Å; C91-L94 HydrophobicContact CB-CB 4.39Å; C91-L94 PolarHBondContact O-N 3.2Å; C91-L94 VanDerWaalsContact SG-CG 3.6Å; C91-E95 PolarHBondContact O-N 2.85Å; C91-C137 HydrophobicContact CB-CB 3.94Å; C91-C137 WeakPolarHBondContact CB-SG 3.48Å; C91-C137 WeakPolarHBondContact SG-CB 3.03Å; C91-C137 CovalentContact SG-SG 2.03Å; C91-C137 PolarHBondContact SG-SG 3.1Å
92	T	98.1	Very high	98	Very high	82 Å²	82	52.5 Å²	52.5	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-50	-39.9	-178.7	-50.5	0	0	0	0	113.1	S90 L94 E95 E96	S90-T92 PolarHBondContact O-N 3.23Å; S90-T92 VanDerWaalsContact O-N 3.13Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 2.8Å; T92-E95 PolarHBondContact O-N 3.09Å; T92-E96 HydrophobicContact CG2-CG 4.1Å; T92-E96 VanDerWaalsContact O-CB 3.31Å; T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 VanDerWaalsContact O-CG 3.29Å; T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.47Å
93	L	98.6	Very high	97.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-57	-45	178.6	177.4	156.7	0	0	0	112.4	C91 A97 V165 W166 L169 L280	C91-L93 PolarHBondContact O-N 3.38Å; C91-L93 VanDerWaalsContact O-N 3.1Å; L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 2.67Å; L93-A97 VanDerWaalsContact O-N 3.16Å; L93-V165 HydrophobicContact CD1-CG2 4.28Å; L93-V165 HydrophobicContact CD2-CB 3.92Å; L93-V165 HydrophobicContact CD2-CG1 4.5Å; L93-V165 HydrophobicContact CD2-CG2 4.28Å; L93-W166 HydrophobicContact CD1-CH2 4.19Å; L93-W166 HydrophobicContact CD1-CZ3 3.72Å; L93-L169 HydrophobicContact CD1-CD1 4.39Å; L93-L169 HydrophobicContact CD2-CD1 3.91Å; L93-L169 HydrophobicContact CD2-CD2 3.81Å; L93-L169 HydrophobicContact CD2-CG 3.93Å; L93-L169 HydrophobicContact CG-CD1 4.4Å; L93-L280 HydrophobicContact CB-CD2 3.99Å; L93-L280 HydrophobicContact CG-CD2 4.42Å
94	L	98.8	Very high	97.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-77.3	-39.6	-179.8	-71.4	179.8	0	0	0	111.7	A87 C91 T92 E96 A97 F98 I131 V165 A168	A87-L94 HydrophobicContact CB-CD1 3.69Å; C91-L94 HydrophobicContact CB-CB 4.39Å; C91-L94 PolarHBondContact O-N 3.2Å; C91-L94 VanDerWaalsContact SG-CG 3.6Å; T92-L94 VanDerWaalsContact C-N 3.34Å; T92-L94 PolarHBondContact O-N 2.8Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 3.18Å; L94-A97 CarbonylContact O-C 3.27Å; L94-A97 WeakPolarHBondContact O-CA 3.33Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 2.83Å; L94-A97 VanDerWaalsContact O-N 3.12Å; L94-F98 HydrophobicContact CB-CE1 4.04Å; L94-F98 HydrophobicContact CB-CE2 4.39Å; L94-F98 HydrophobicContact CB-CZ 3.88Å; L94-F98 HydrophobicContact CD2-CE1 4.28Å; L94-F98 WeakPolarHBondContact O-CD1 3.19Å; L94-F98 WeakPolarHBondContact O-CG 3.31Å; L94-F98 PolarHBondContact O-N 3.09Å; L94-I131 HydrophobicContact CD1-CD1 4.25Å; L94-I131 HydrophobicContact CD1-CG1 4Å; L94-V165 HydrophobicContact CD1-CG1 4.05Å; L94-V165 HydrophobicContact CD2-CB 4.45Å; L94-V165 HydrophobicContact CD2-CG1 4.47Å; L94-V165 HydrophobicContact CG-CG1 4.16Å; L94-A168 HydrophobicContact CD2-CB 4.05Å
95	E	98.6	Very high	97.8	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-57.8	-47.2	176.2	-67.9	-57.6	121.3	0	0	111.7	H81 P89 C91 T92 A97 F98 R99	H81-E95 IonicContact CD2-OE1 2.92Å; H81-E95 PolarHBondContact CD2-OE1 3.34Å; H81-E95 IonicContact CE1-OE1 2.72Å; H81-E95 IonicContact NE2-OE1 3.7Å; H81-E95 PolarHBondContact NE2-OE1 2.67Å; P89-E95 WeakPolarHBondContact O-CG 3.25Å; C91-E95 PolarHBondContact O-N 2.85Å; T92-E95 PolarHBondContact O-N 3.09Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.41Å; E95-F98 PolarHBondContact O-N 2.74Å; E95-R99 PolarHBondContact O-N 3.12Å; E95-R99 VanDerWaalsContact O-N 3.09Å
96	E	98.4	Very high	97.5	Very high	63 Å²	63	43.2 Å²	43.2	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-36.1	176.4	-73.2	-62.4	147.5	0	0	112.1	T92 L94 R99 R100	T92-E96 HydrophobicContact CG2-CG 4.1Å; T92-E96 VanDerWaalsContact O-CB 3.31Å; T92-E96 WeakPolarHBondContact O-CB 3.29Å; T92-E96 VanDerWaalsContact O-CG 3.29Å; T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.47Å; L94-E96 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 3.18Å; E96-R99 IonicContact OE1-CZ 2.68Å; E96-R99 IonicContact OE1-NH1 3.83Å; E96-R99 IonicContact OE1-NH2 3.88Å; E96-R99 PolarHBondContact OE1-NH2 2.85Å; E96-R99 IonicContact OE2-CZ 3.34Å; E96-R99 IonicContact OE2-NE 3.58Å; E96-R99 IonicContact OE2-NH2 3.05Å; E96-R99 PolarHBondContact OE2-NH2 3.01Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.07Å; E96-R100 VanDerWaalsContact O-N 3.09Å; E96-R100 PolarHBondContact O-NH1 3.32Å
97	A	98.8	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-46.7	173.3	0	0	0	0	0	111.9	L93 L94 E95 R99 R100 Y101 L169 L172	L93-A97 WeakPolarHBondContact O-CB 3.46Å; L93-A97 PolarHBondContact O-N 2.67Å; L93-A97 VanDerWaalsContact O-N 3.16Å; L94-A97 CarbonylContact O-C 3.27Å; L94-A97 WeakPolarHBondContact O-CA 3.33Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 2.83Å; L94-A97 VanDerWaalsContact O-N 3.12Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.41Å; A97-R99 PolarHBondContact O-N 2.6Å; A97-R100 PolarHBondContact O-N 3.25Å; A97-Y101 HydrophobicContact CB-CD2 4.28Å; A97-Y101 HydrophobicContact CB-CE2 4.43Å; A97-Y101 WeakPolarHBondContact O-CB 3.5Å; A97-Y101 WeakPolarHBondContact O-CD2 3.29Å; A97-Y101 PolarHBondContact O-N 3.16Å; A97-L169 HydrophobicContact CB-CD2 3.55Å; A97-L172 HydrophobicContact CB-CD1 3.82Å
98	F	98.6	Very high	95.1	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-48.6	-179.2	-62.4	-8.6	0	0	0	110.8	I79 H81 L94 E95 R100 Y101 H102 V129 L172	I79-F98 HydrophobicContact CB-CB 4.08Å; I79-F98 HydrophobicContact CB-CD1 4.4Å; I79-F98 HydrophobicContact CB-CG 4.15Å; I79-F98 HydrophobicContact CG2-CB 4.07Å; I79-F98 HydrophobicContact CG2-CD1 3.45Å; I79-F98 VanDerWaalsContact CG2-CD1 3.45Å; I79-F98 HydrophobicContact CG2-CD2 4.24Å; I79-F98 HydrophobicContact CG2-CE1 3.93Å; I79-F98 HydrophobicContact CG2-CG 3.65Å; I79-F98 HydrophobicContact CG2-CZ 4.48Å; H81-F98 AromaticContact CD2-CE2 3.9Å; H81-F98 AromaticContact CE1-CE2 3.62Å; H81-F98 AromaticContact CE1-CZ 3.81Å; H81-F98 AromaticContact NE2-CE2 3.52Å; L94-F98 HydrophobicContact CB-CE1 4.04Å; L94-F98 HydrophobicContact CB-CE2 4.39Å; L94-F98 HydrophobicContact CB-CZ 3.88Å; L94-F98 HydrophobicContact CD2-CE1 4.28Å; L94-F98 WeakPolarHBondContact O-CD1 3.19Å; L94-F98 WeakPolarHBondContact O-CG 3.31Å; L94-F98 PolarHBondContact O-N 3.09Å; E95-F98 PolarHBondContact O-N 2.74Å; F98-R100 PolarHBondContact O-N 3.49Å; F98-Y101 PolarHBondContact O-N 3.27Å; F98-H102 WeakPolarHBondContact O-CB 3.33Å; F98-H102 PolarHBondContact O-N 3.33Å; F98-V129 HydrophobicContact CE1-CB 4.04Å; F98-V129 HydrophobicContact CE1-CG1 4.19Å; F98-V129 HydrophobicContact CE1-CG2 3.63Å; F98-V129 HydrophobicContact CZ-CB 3.78Å; F98-V129 HydrophobicContact CZ-CG1 4.14Å; F98-V129 HydrophobicContact CZ-CG2 3.79Å; F98-L172 HydrophobicContact CD1-CD1 3.96Å; F98-L172 HydrophobicContact CD1-CD2 4.42Å; F98-L172 HydrophobicContact CE1-CD1 4.07Å
99	R	97.8	Very high	93.5	Very high	166 Å²	166	45.3 Å²	45.3	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-59	-47.9	176.7	-176.7	174.2	68.4	-167.3	1.9	112	E95 E96 A97 H102 G103	E95-R99 PolarHBondContact O-N 3.12Å; E95-R99 VanDerWaalsContact O-N 3.09Å; E96-R99 IonicContact OE1-CZ 2.68Å; E96-R99 IonicContact OE1-NH1 3.83Å; E96-R99 IonicContact OE1-NH2 3.88Å; E96-R99 PolarHBondContact OE1-NH2 2.85Å; E96-R99 IonicContact OE2-CZ 3.34Å; E96-R99 IonicContact OE2-NE 3.58Å; E96-R99 IonicContact OE2-NH2 3.05Å; E96-R99 PolarHBondContact OE2-NH2 3.01Å; A97-R99 PolarHBondContact O-N 2.6Å; R99-H102 PolarHBondContact O-N 3.26Å; R99-G103 PolarHBondContact O-N 3.42Å; R99-G103 VanDerWaalsContact O-N 3.13Å
100	R	97.7	Very high	91.4	Very high	35 Å²	35	48.7 Å²	48.7	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-43.7	-177.7	-174	-176	69.2	-105.5	3.4	112	E96 A97 F98 G103 Y104	E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 PolarHBondContact O-N 3.07Å; E96-R100 VanDerWaalsContact O-N 3.09Å; E96-R100 PolarHBondContact O-NH1 3.32Å; A97-R100 PolarHBondContact O-N 3.25Å; F98-R100 PolarHBondContact O-N 3.49Å; R100-G103 CarbonylContact O-C 3.58Å; R100-G103 WeakPolarHBondContact O-CA 3.28Å; R100-G103 PolarHBondContact O-N 3.28Å; R100-Y104 VanDerWaalsContact CD-OH 3.29Å; R100-Y104 WeakPolarHBondContact CD-OH 3.18Å; R100-Y104 HydrophobicContact CG-CD2 4.14Å; R100-Y104 HydrophobicContact CG-CE1 4.12Å; R100-Y104 HydrophobicContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CZ 3.42Å; R100-Y104 PolarHBondContact O-N 2.78Å
101	Y	98.4	Very high	89.2	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.02	25%	0.254	C	S	.	.	H	α-helix	trans	-70.4	-33.3	178.8	-80.8	-69.7	0	0	0	112.7	A97 F98 G103 Y104 I105 L169 L172 E173	A97-Y101 HydrophobicContact CB-CD2 4.28Å; A97-Y101 HydrophobicContact CB-CE2 4.43Å; A97-Y101 WeakPolarHBondContact O-CB 3.5Å; A97-Y101 WeakPolarHBondContact O-CD2 3.29Å; A97-Y101 PolarHBondContact O-N 3.16Å; F98-Y101 PolarHBondContact O-N 3.27Å; Y101-G103 VanDerWaalsContact C-N 3.28Å; Y101-G103 PolarHBondContact O-N 3.21Å; Y101-Y104 AromaticContact CD1-CD2 3.76Å; Y101-Y104 HydrophobicContact CD1-CD2 3.76Å; Y101-Y104 HydrophobicContact CE1-CD2 4Å; Y101-Y104 HydrophobicContact CE1-CE2 4.48Å; Y101-Y104 HydrophobicContact CG-CD2 4.4Å; Y101-Y104 PolarHBondContact O-N 2.92Å; Y101-Y104 VanDerWaalsContact O-N 3.14Å; Y101-I105 WeakPolarHBondContact O-CD1 3.27Å; Y101-I105 WeakPolarHBondContact O-CG1 3.25Å; Y101-I105 PolarHBondContact O-N 2.98Å; Y101-L169 PolarHBondContact OH-O 2.92Å; Y101-L172 HydrophobicContact CD1-CB 4.3Å; Y101-L172 HydrophobicContact CD2-CB 3.42Å; Y101-L172 VanDerWaalsContact CD2-CB 3.42Å; Y101-L172 HydrophobicContact CD2-CD1 3.78Å; Y101-L172 HydrophobicContact CD2-CG 4.1Å; Y101-L172 HydrophobicContact CE1-CB 4.31Å; Y101-L172 HydrophobicContact CE2-CB 3.36Å; Y101-L172 HydrophobicContact CE2-CD1 4Å; Y101-L172 HydrophobicContact CE2-CG 4.3Å; Y101-L172 HydrophobicContact CG-CB 3.89Å; Y101-E173 VanDerWaalsContact CE1-CA 3.48Å; Y101-E173 HydrophobicContact CE1-CB 4.11Å; Y101-E173 WeakPolarHBondContact CE1-OE2 3.3Å; Y101-E173 WeakPolarHBondContact OH-CB 3.4Å; Y101-E173 PolarHBondContact OH-N 3.27Å
102	H	97.1	Very high	86.8	Confident	64 Å²	64	58.1 Å²	58.1	30%	0.296	28%	0.278	S	S	.	.	H	α-helix	trans	-56.8	-46.5	168.2	-171.5	-77.8	0	0	0	110.8	F77 F98 R99 Y104 I105 F106	F77-H102 PolarHBondContact O-NE2 2.95Å; F98-H102 WeakPolarHBondContact O-CB 3.33Å; F98-H102 PolarHBondContact O-N 3.33Å; R99-H102 PolarHBondContact O-N 3.26Å; H102-Y104 VanDerWaalsContact C-N 3.34Å; H102-Y104 PolarHBondContact O-N 3.45Å; H102-I105 PolarHBondContact O-N 3.16Å; H102-F106 AromaticContact CD2-CD2 3.96Å; H102-F106 AromaticContact CD2-CE2 3.81Å; H102-F106 AromaticContact CE1-CD2 3.53Å; H102-F106 AromaticContact CE1-CE2 4Å; H102-F106 AromaticContact ND1-CD2 3.81Å; H102-F106 AromaticContact NE2-CD2 3.62Å; H102-F106 AromaticContact NE2-CE2 3.59Å; H102-F106 WeakPolarHBondContact O-CD2 3.41Å; H102-F106 PolarHBondContact O-N 3.22Å; H102-F106 VanDerWaalsContact O-N 3.15Å
103	G	95.4	Very high	84.5	Confident	32 Å²	32	60.3 Å²	60.3	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-41.3	172.7	0	0	0	0	0	113.2	R99 R100 Y101 I105 G107	R99-G103 PolarHBondContact O-N 3.42Å; R99-G103 VanDerWaalsContact O-N 3.13Å; R100-G103 CarbonylContact O-C 3.58Å; R100-G103 WeakPolarHBondContact O-CA 3.28Å; R100-G103 PolarHBondContact O-N 3.28Å; Y101-G103 VanDerWaalsContact C-N 3.28Å; Y101-G103 PolarHBondContact O-N 3.21Å; G103-I105 PolarHBondContact O-N 3.49Å; G103-G107 VanDerWaalsContact O-CA 3.24Å; G103-G107 WeakPolarHBondContact O-CA 3.43Å; G103-G107 PolarHBondContact O-N 2.76Å
104	Y	95.5	Very high	82	Confident	36 Å²	36	68.9 Å²	68.9	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-70.6	-27.7	178.4	-64.5	-28.1	0	0	0	115	R100 Y101 H102 F108 F228 R539	R100-Y104 VanDerWaalsContact CD-OH 3.29Å; R100-Y104 WeakPolarHBondContact CD-OH 3.18Å; R100-Y104 HydrophobicContact CG-CD2 4.14Å; R100-Y104 HydrophobicContact CG-CE1 4.12Å; R100-Y104 HydrophobicContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CE2 3.44Å; R100-Y104 VanDerWaalsContact CG-CZ 3.42Å; R100-Y104 PolarHBondContact O-N 2.78Å; Y101-Y104 AromaticContact CD1-CD2 3.76Å; Y101-Y104 HydrophobicContact CD1-CD2 3.76Å; Y101-Y104 HydrophobicContact CE1-CD2 4Å; Y101-Y104 HydrophobicContact CE1-CE2 4.48Å; Y101-Y104 HydrophobicContact CG-CD2 4.4Å; Y101-Y104 PolarHBondContact O-N 2.92Å; Y101-Y104 VanDerWaalsContact O-N 3.14Å; H102-Y104 VanDerWaalsContact C-N 3.34Å; H102-Y104 PolarHBondContact O-N 3.45Å; Y104-F108 HydrophobicContact CD1-CE2 4.08Å; Y104-F108 HydrophobicContact CD1-CZ 4.12Å; Y104-F228 HydrophobicContact CD2-CE1 4.18Å; Y104-F228 HydrophobicContact CE1-CE1 4.46Å; Y104-F228 HydrophobicContact CE1-CZ 4.19Å; Y104-F228 HydrophobicContact CE2-CD1 4.43Å; Y104-F228 AromaticContact CE2-CE1 3.4Å; Y104-F228 HydrophobicContact CE2-CE1 3.4Å; Y104-F228 AromaticContact CE2-CZ 3.93Å; Y104-F228 HydrophobicContact CE2-CZ 3.93Å; Y104-F228 AromaticContact CZ-CE1 3.57Å; Y104-F228 AromaticContact CZ-CZ 3.6Å; Y104-F228 WeakPolarHBondContact OH-CZ 3.1Å; Y104-R539 HydrophobicContact CD1-CG 4.17Å
105	I	95.7	Very high	79.6	Confident	7 Å²	7	74 Å²	74	4%	0.036	36%	0.356	C	S	.	.	H	α-helix	trans	-78.7	-40.8	180	-67.4	161.6	0	0	0	110.5	I79 Y101 H102 G103 F175 V179 F187	I79-I105 HydrophobicContact CD1-CD1 4.38Å; Y101-I105 WeakPolarHBondContact O-CD1 3.27Å; Y101-I105 WeakPolarHBondContact O-CG1 3.25Å; Y101-I105 PolarHBondContact O-N 2.98Å; H102-I105 PolarHBondContact O-N 3.16Å; G103-I105 PolarHBondContact O-N 3.49Å; I105-F175 HydrophobicContact CD1-CD1 3.92Å; I105-F175 HydrophobicContact CD1-CE1 3.93Å; I105-V179 HydrophobicContact CG2-CB 4.15Å; I105-V179 HydrophobicContact CG2-CG1 3.85Å; I105-V179 HydrophobicContact CG2-CG2 4.16Å; I105-F187 WeakPolarHBondContact O-CE1 3.36Å
106	F	93.5	Very high	77.4	Confident	11 Å²	11	73.3 Å²	73.3	5%	0.048	36%	0.362	C	S	.	.	H	α-helix	trans	-116	-27	-170.5	-54.8	-66.5	0	0	0	115.2	L72 P74 F77 H102 F108 Y109 F187	L72-F106 HydrophobicContact CB-CE1 4.12Å; L72-F106 HydrophobicContact CB-CZ 4.16Å; L72-F106 HydrophobicContact CD2-CZ 4.28Å; P74-F106 HydrophobicContact CB-CB 4.31Å; P74-F106 HydrophobicContact CB-CD1 3.85Å; P74-F106 HydrophobicContact CB-CE1 4.25Å; P74-F106 HydrophobicContact CB-CG 3.98Å; P74-F106 HydrophobicContact CG-CD1 3.67Å; P74-F106 HydrophobicContact CG-CE1 4.02Å; P74-F106 HydrophobicContact CG-CG 4.28Å; F77-F106 HydrophobicContact CB-CE2 4.26Å; F77-F106 HydrophobicContact CB-CZ 3.94Å; F77-F106 AromaticContact CD1-CE2 3.71Å; F77-F106 HydrophobicContact CD1-CE2 3.71Å; F77-F106 AromaticContact CD1-CZ 3.81Å; F77-F106 HydrophobicContact CD1-CZ 3.81Å; F77-F106 HydrophobicContact CE1-CE2 4.49Å; F77-F106 HydrophobicContact CG-CE2 4.32Å; F77-F106 HydrophobicContact CG-CZ 4.04Å; H102-F106 AromaticContact CD2-CD2 3.96Å; H102-F106 AromaticContact CD2-CE2 3.81Å; H102-F106 AromaticContact CE1-CD2 3.53Å; H102-F106 AromaticContact CE1-CE2 4Å; H102-F106 AromaticContact ND1-CD2 3.81Å; H102-F106 AromaticContact NE2-CD2 3.62Å; H102-F106 AromaticContact NE2-CE2 3.59Å; H102-F106 WeakPolarHBondContact O-CD2 3.41Å; H102-F106 PolarHBondContact O-N 3.22Å; H102-F106 VanDerWaalsContact O-N 3.15Å; F106-F108 VanDerWaalsContact C-N 3.31Å; F106-F108 PolarHBondContact O-N 2.76Å; F106-Y109 PolarHBondContact O-N 3.19Å; F106-F187 HydrophobicContact CB-CZ 4.43Å; F106-F187 AromaticContact CD1-CD1 3.86Å; F106-F187 HydrophobicContact CD1-CD1 3.86Å; F106-F187 AromaticContact CD1-CD2 3.99Å; F106-F187 HydrophobicContact CD1-CD2 3.99Å; F106-F187 AromaticContact CD1-CE1 3.75Å; F106-F187 HydrophobicContact CD1-CE1 3.75Å; F106-F187 AromaticContact CD1-CE2 3.89Å; F106-F187 HydrophobicContact CD1-CE2 3.89Å; F106-F187 AromaticContact CD1-CG 3.98Å; F106-F187 HydrophobicContact CD1-CG 3.98Å; F106-F187 AromaticContact CD1-CZ 3.76Å; F106-F187 HydrophobicContact CD1-CZ 3.76Å; F106-F187 HydrophobicContact CE1-CB 4.39Å; F106-F187 HydrophobicContact CE1-CD1 4.1Å; F106-F187 HydrophobicContact CE1-CD2 4.18Å; F106-F187 HydrophobicContact CE1-CE1 4.45Å; F106-F187 AromaticContact CE1-CG 3.96Å; F106-F187 HydrophobicContact CE1-CG 3.96Å
107	G	77	Confident	75.2	Confident	60 Å²	60	80 Å²	80	62%	0.619	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	-160.3	0	0	0	0	0	116.8	G103	G103-G107 VanDerWaalsContact O-CA 3.24Å; G103-G107 WeakPolarHBondContact O-CA 3.43Å; G103-G107 PolarHBondContact O-N 2.76Å
108	F	68	Low	73.3	Confident	46 Å²	46	82.9 Å²	82.9	20%	0.202	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4	-178.6	-57.4	-66.9	0	0	0	113.4	Y104 F106 E538 R539 M556	Y104-F108 HydrophobicContact CD1-CE2 4.08Å; Y104-F108 HydrophobicContact CD1-CZ 4.12Å; F106-F108 VanDerWaalsContact C-N 3.31Å; F106-F108 PolarHBondContact O-N 2.76Å; F108-E538 WeakPolarHBondContact CD1-O 3.39Å; F108-E538 WeakPolarHBondContact CE1-O 3.28Å; F108-R539 HydrophobicContact CE2-CB 4.47Å; F108-R539 HydrophobicContact CE2-CG 3.64Å; F108-R539 HydrophobicContact CZ-CB 4.2Å; F108-R539 HydrophobicContact CZ-CG 3.85Å; F108-M556 HydrophobicContact CB-CE 4.43Å; F108-M556 VanDerWaalsContact O-CE 3.24Å; F108-M556 WeakPolarHBondContact O-CE 3.06Å
109	Y	63.5	Low	71.5	Confident	41 Å²	41	89.7 Å²	89.7	16%	0.161	44%	0.438	C	S	.	.			trans	-108	102.7	-170.7	-55.2	-71	0	0	0	110.8	F106 W111 F187 H553	F106-Y109 PolarHBondContact O-N 3.19Å; Y109-W111 PolarHBondContact O-N 2.64Å; Y109-F187 AromaticContact CD2-CE1 3.52Å; Y109-F187 HydrophobicContact CD2-CE1 3.52Å; Y109-F187 AromaticContact CD2-CZ 3.61Å; Y109-F187 HydrophobicContact CD2-CZ 3.61Å; Y109-F187 AromaticContact CE2-CE1 3.79Å; Y109-F187 HydrophobicContact CE2-CE1 3.79Å; Y109-F187 HydrophobicContact CE2-CZ 4.35Å; Y109-F187 HydrophobicContact CG-CE1 4.37Å; Y109-F187 HydrophobicContact CG-CZ 4.15Å; Y109-H553 AromaticContact CD1-NE2 3.99Å; Y109-H553 AromaticContact CE1-CD2 3.97Å; Y109-H553 AromaticContact CE1-NE2 3.66Å
110	K	54.2	Low	69.8	Low	180 Å²	180	85.4 Å²	85.4	78%	0.783	44%	0.438	S	S	*	.			trans	-72.7	-14.2	178.9	-68.4	-175.1	-179.8	175.7	0	114
111	W	50.6	Low	68.8	Low	195 Å²	195	91.7 Å²	91.7	74%	0.739	47%	0.466	S	S	*	.			trans	-108.3	91.7	-175.1	-67.7	90.3	0	0	0	109.8	Y109 H113	Y109-W111 PolarHBondContact O-N 2.64Å; W111-H113 PolarHBondContact O-N 3.07Å
112	H	49	Very low	68.4	Low	113 Å²	113	93.3 Å²	93.3	52%	0.523	48%	0.477	S	S	.	.			trans	-83.6	94.8	161.1	-60.2	-56.7	0	0	0	107
113	H	48.8	Very low	68.2	Low	129 Å²	129	91.8 Å²	91.8	60%	0.597	47%	0.47	S	S	*	.			trans	-63	140	157.8	-74.9	-48	0	0	0	107.6	W111 Y184	W111-H113 PolarHBondContact O-N 3.07Å; H113-Y184 PolarHBondContact CD2-O 2.81Å
114	E	46.6	Very low	68.2	Low	181 Å²	181	90.3 Å²	90.3	85%	0.846	45%	0.454	S	S	*	.			trans	-42.8	134.6	-176.7	-76.6	-174	155.2	0	0	110	A116	E114-A116 PolarHBondContact O-N 3.37Å
115	P	49.4	Very low	68.3	Low	108 Å²	108	92.5 Å²	92.5	70%	0.701	47%	0.466	S	S	*	.			trans	-55.1	114	-179.8	23.2	-31.8	0	0	0	106.9	E117	P115-E117 PolarHBondContact O-N 2.86Å
116	A	51.4	Low	68.3	Low	55 Å²	55	95 Å²	95	46%	0.455	48%	0.477	S	S	.	.			trans	-52.6	132	168.2	0	0	0	0	0	106.1	E114 F118	E114-A116 PolarHBondContact O-N 3.37Å; A116-F118 HydrophobicContact CB-CD1 4.37Å; A116-F118 HydrophobicContact CB-CE1 3.8Å; A116-F118 HydrophobicContact CB-CE2 4.26Å; A116-F118 HydrophobicContact CB-CZ 3.72Å; A116-F118 WeakPolarHBondContact O-CD2 3.18Å; A116-F118 WeakPolarHBondContact O-CE2 3.19Å; A116-F118 WeakPolarHBondContact O-CG 3.35Å; A116-F118 PolarHBondContact O-N 2.96Å
117	E	51.9	Low	68.6	Low	205 Å²	205	94.5 Å²	94.5	96%	0.958	48%	0.475	S	S	*	.			trans	-61	92.1	174.7	-82.2	-173.6	151.3	0	0	107.9	P115	P115-E117 PolarHBondContact O-N 2.86Å
118	F	58.8	Low	69.6	Low	60 Å²	60	93 Å²	93	26%	0.263	45%	0.453	S	S	.	.			trans	-74.9	140.7	-179.8	-60.3	-70.5	0	0	0	108.6	H71 A116 A120 T186	H71-F118 HydrophobicContact CB-CD1 4.21Å; H71-F118 HydrophobicContact CB-CD2 4.42Å; H71-F118 HydrophobicContact CB-CE1 4.26Å; H71-F118 HydrophobicContact CB-CE2 4.48Å; H71-F118 HydrophobicContact CB-CG 4.31Å; H71-F118 HydrophobicContact CB-CZ 4.42Å; H71-F118 AromaticContact CD2-CD1 3.4Å; H71-F118 WeakPolarHBondContact CD2-CD1 3.04Å; H71-F118 AromaticContact CD2-CE1 3.76Å; H71-F118 AromaticContact CG-CD1 3.79Å; H71-F118 AromaticContact CG-CE1 3.78Å; H71-F118 AromaticContact NE2-CD1 3.95Å; A116-F118 HydrophobicContact CB-CD1 4.37Å; A116-F118 HydrophobicContact CB-CE1 3.8Å; A116-F118 HydrophobicContact CB-CE2 4.26Å; A116-F118 HydrophobicContact CB-CZ 3.72Å; A116-F118 WeakPolarHBondContact O-CD2 3.18Å; A116-F118 WeakPolarHBondContact O-CE2 3.19Å; A116-F118 WeakPolarHBondContact O-CG 3.35Å; A116-F118 PolarHBondContact O-N 2.96Å; F118-A120 PolarHBondContact O-N 2.93Å; F118-T186 HydrophobicContact CE1-CG2 3.72Å; F118-T186 HydrophobicContact CE2-CG2 4.42Å; F118-T186 HydrophobicContact CZ-CG2 3.39Å
119	Q	60.8	Low	71.1	Confident	155 Å²	155	90.9 Å²	90.9	72%	0.724	44%	0.444	S	S	*	.			trans	-59.3	131.7	167.4	-69.2	-175.2	-7.7	0	0	108.2	K121 T122	Q119-K121 PolarHBondContact O-N 2.96Å; Q119-T122 PolarHBondContact O-N 3.09Å; Q119-T122 PolarHBondContact O-OG1 3.18Å
120	A	63.1	Low	72.8	Confident	76 Å²	76	89.2 Å²	89.2	63%	0.628	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-54.7	-18.7	-177.6	0	0	0	0	0	114.1	F118 T122	F118-A120 PolarHBondContact O-N 2.93Å; A120-T122 VanDerWaalsContact C-N 3.35Å
121	K	76.2	Confident	74.9	Confident	167 Å²	167	80.6 Å²	80.6	73%	0.726	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-89.6	25.5	174.5	-62.4	-172.7	177.3	-176.4	0	114.8	Q119 E155	Q119-K121 PolarHBondContact O-N 2.96Å; K121-E155 VanDerWaalsContact C-CD 3.43Å; K121-E155 WeakPolarHBondContact CA-OE2 3.27Å; K121-E155 VanDerWaalsContact O-CD 3.23Å
122	T	88.9	Confident	77.2	Confident	38 Å²	38	74 Å²	74	23%	0.233	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-135.2	8.4	162.5	56.3	0	0	0	0	112.7	L70 H71 Q119 A120 E155	L70-T122 CarbonylContact C-O 3.48Å; L70-T122 VanDerWaalsContact CA-O 3.22Å; L70-T122 WeakPolarHBondContact CA-O 3.28Å; H71-T122 PolarHBondContact CD2-OG1 3.26Å; H71-T122 PolarHBondContact N-O 2.74Å; Q119-T122 PolarHBondContact O-N 3.09Å; Q119-T122 PolarHBondContact O-OG1 3.18Å; A120-T122 VanDerWaalsContact C-N 3.35Å; T122-E155 VanDerWaalsContact CA-OE2 3.32Å; T122-E155 WeakPolarHBondContact CA-OE2 3.33Å; T122-E155 PolarHBondContact N-OE2 2.97Å
123	Q	93.4	Very high	79.5	Confident	32 Å²	32	72.2 Å²	72.2	15%	0.15	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-99.1	125.5	-172	-167	177.7	20.2	0	0	111.7	H71 Q125	H71-Q123 WeakPolarHBondContact O-CA 3.45Å; Q123-Q125 HydrophobicContact CG-CG 4.29Å
124	V	96.6	Very high	81.8	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.006	38%	0.382	C	S	.	.			trans	-86.1	111.2	163.8	-173	0	0	0	0	107.7	L70 H71 L72 F77 A158 I189	L70-V124 HydrophobicContact CB-CG2 3.76Å; L70-V124 HydrophobicContact CD1-CG2 3.63Å; L70-V124 HydrophobicContact CG-CG2 4.32Å; H71-V124 PolarHBondContact O-N 3.46Å; L72-V124 HydrophobicContact CG-CB 4.47Å; F77-V124 HydrophobicContact CD2-CG1 4.46Å; F77-V124 HydrophobicContact CE2-CG1 3.97Å; V124-A158 HydrophobicContact CG1-CB 3.96Å; V124-I189 HydrophobicContact CG2-CG2 4.26Å
125	Q	96	Very high	84.2	Confident	82 Å²	82	65.8 Å²	65.8	38%	0.383	35%	0.348	S	S	.	.			trans	-88.7	-26.7	-179.6	-62.3	-178.4	-2.8	0	0	112	F77 Y78 Q123 P156	F77-Q125 WeakPolarHBondContact CA-O 3.36Å; Y78-Q125 PolarHBondContact N-O 2.94Å; Y78-Q125 VanDerWaalsContact N-O 3.14Å; Q123-Q125 HydrophobicContact CG-CG 4.29Å; Q125-P156 PolarHBondContact N-O 3.37Å
126	Q	97.4	Very high	86.5	Confident	60 Å²	60	63.2 Å²	63.2	28%	0.28	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	145.5	-170.5	-162.3	173.5	13.9	0	0	111.9	Y78 S80 L128 V157 A158	Y78-Q126 CarbonylContact O-C 3.48Å; Y78-Q126 VanDerWaalsContact O-CA 3.28Å; Y78-Q126 WeakPolarHBondContact O-CA 3.36Å; Y78-Q126 WeakPolarHBondContact O-CG 3.49Å; S80-Q126 PolarHBondContact OG-NE2 2.58Å; Q126-L128 HydrophobicContact CG-CD2 4.07Å; Q126-L128 HydrophobicContact CG-CG 4.35Å; Q126-L128 VanDerWaalsContact NE2-CD2 3.32Å; Q126-V157 HydrophobicContact CB-CG1 4.34Å; Q126-V157 HydrophobicContact CB-CG2 4.3Å; Q126-V157 WeakPolarHBondContact O-CA 3.03Å; Q126-A158 PolarHBondContact O-N 2.83Å
127	L	98.8	Very high	88.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108.9	160.8	176.2	63.9	0	0	0	108.7	F77 Y78 I79 S80 L151 A158 L160 L172 F175	F77-L127 HydrophobicContact CE2-CB 4.29Å; F77-L127 HydrophobicContact CZ-CB 3.74Å; Y78-L127 PolarHBondContact O-N 3.01Å; I79-L127 WeakPolarHBondContact CA-O 3.43Å; I79-L127 HydrophobicContact CG1-CB 4.38Å; I79-L127 HydrophobicContact CG1-CD2 4.47Å; I79-L127 HydrophobicContact CG2-CD2 4.27Å; I79-L127 HydrophobicContact CG2-CG 4.49Å; S80-L127 PolarHBondContact N-O 3.34Å; S80-L127 VanDerWaalsContact N-O 3.1Å; L127-L151 HydrophobicContact CD1-CD1 4.08Å; L127-A158 WeakPolarHBondContact CA-O 3.3Å; L127-A158 HydrophobicContact CD1-CB 3.81Å; L127-L160 HydrophobicContact CD1-CB 4.01Å; L127-L172 HydrophobicContact CD2-CD2 3.95Å; L127-F175 HydrophobicContact CB-CZ 4.48Å; L127-F175 HydrophobicContact CD1-CD2 4.15Å; L127-F175 HydrophobicContact CD1-CE2 4.15Å; L127-F175 HydrophobicContact CD2-CB 4.32Å; L127-F175 HydrophobicContact CD2-CD1 3.83Å; L127-F175 HydrophobicContact CD2-CD2 4Å; L127-F175 HydrophobicContact CD2-CE1 4.11Å; L127-F175 HydrophobicContact CD2-CE2 4.26Å; L127-F175 HydrophobicContact CD2-CG 3.77Å; L127-F175 HydrophobicContact CD2-CZ 4.31Å
128	L	98.8	Very high	90.9	Very high	29 Å²	29	57.7 Å²	57.7	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.7	173	-72.4	-176.3	0	0	0	110.7	S80 Q126 V157 A158 V159 L160	S80-L128 WeakPolarHBondContact O-CA 3.47Å; Q126-L128 HydrophobicContact CG-CD2 4.07Å; Q126-L128 HydrophobicContact CG-CG 4.35Å; Q126-L128 VanDerWaalsContact NE2-CD2 3.32Å; L128-V157 HydrophobicContact CB-CG1 4.2Å; L128-V157 HydrophobicContact CD1-CG1 3.7Å; L128-V157 HydrophobicContact CG-CG1 3.61Å; L128-A158 PolarHBondContact N-O 3.27Å; L128-V159 WeakPolarHBondContact O-CA 3.34Å; L128-L160 PolarHBondContact O-N 3.14Å
129	V	98.9	Very high	92.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.5	176.6	-176.1	0	0	0	0	109.2	I79 S80 S82 F98 I131 L160 A168 L172	I79-V129 HydrophobicContact CG2-CG2 3.9Å; S80-V129 PolarHBondContact O-N 2.84Å; S82-V129 PolarHBondContact N-O 3.41Å; F98-V129 HydrophobicContact CE1-CB 4.04Å; F98-V129 HydrophobicContact CE1-CG1 4.19Å; F98-V129 HydrophobicContact CE1-CG2 3.63Å; F98-V129 HydrophobicContact CZ-CB 3.78Å; F98-V129 HydrophobicContact CZ-CG1 4.14Å; F98-V129 HydrophobicContact CZ-CG2 3.79Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å; V129-L160 CarbonylContact C-O 3.55Å; V129-L160 WeakPolarHBondContact CA-O 3.44Å; V129-L160 HydrophobicContact CG1-CD2 4.39Å; V129-L160 HydrophobicContact CG1-CG 4.48Å; V129-L160 HydrophobicContact CG2-CB 4.35Å; V129-L160 HydrophobicContact CG2-CD2 4.24Å; V129-A168 HydrophobicContact CG1-CB 3.93Å; V129-L172 HydrophobicContact CG2-CD2 4.41Å
130	S	98.8	Very high	94.6	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.7	-177.1	-174.1	0	0	0	0	110.5	N84 L160 K161 A162	N84-S130 PolarHBondContact OD1-OG 3.05Å; S130-L160 PolarHBondContact N-O 3.32Å; S130-K161 WeakPolarHBondContact O-CA 3.15Å; S130-A162 PolarHBondContact O-N 3.5Å
131	I	98.8	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	124.3	172.6	-49.2	-57.6	0	0	0	108.9	S85 T86 A87 L94 V129 A162 N163 A168	S85-I131 PolarHBondContact OG-N 2.8Å; T86-I131 PolarHBondContact N-O 2.73Å; T86-I131 WeakPolarHBondContact OG1-CG2 3.39Å; T86-I131 PolarHBondContact OG1-O 3.05Å; A87-I131 HydrophobicContact CB-CB 4.33Å; A87-I131 HydrophobicContact CB-CG1 3.84Å; L94-I131 HydrophobicContact CD1-CD1 4.25Å; L94-I131 HydrophobicContact CD1-CG1 4Å; V129-I131 HydrophobicContact CG1-CD1 4.26Å; I131-A162 WeakPolarHBondContact CA-O 3.46Å; I131-A162 HydrophobicContact CD1-CB 4.4Å; I131-N163 WeakPolarHBondContact CG2-O 3.34Å; I131-A168 HydrophobicContact CD1-CB 3.62Å
132	T	98.5	Very high	97.4	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.344	23%	0.234	S	C	.	.			trans	-89.1	-39.6	-168.1	-50.8	0	0	0	0	112.9	K161 A162	T132-K161 WeakPolarHBondContact OG1-CE 3.37Å; T132-A162 PolarHBondContact N-O 3.16Å; T132-A162 PolarHBondContact OG1-O 3.47Å; T132-A162 VanDerWaalsContact OG1-O 3.12Å
133	L	97.9	Very high	97.8	Very high	75 Å²	75	44.3 Å²	44.3	39%	0.393	23%	0.231	S	C	.	.	S	Bend	trans	-105.3	-174.4	179.8	-54.5	-179.1	0	0	0	110.2	T86 S135 N163	T86-L133 WeakPolarHBondContact CB-O 3.24Å; T86-L133 WeakPolarHBondContact CG2-O 3.41Å; T86-L133 PolarHBondContact OG1-O 3.12Å; L133-S135 PolarHBondContact O-N 3.07Å; L133-N163 WeakPolarHBondContact CB-O 3.33Å; L133-N163 HydrophobicContact CD1-CB 4.05Å; L133-N163 HydrophobicContact CG-CB 4.3Å; L133-N163 PolarHBondContact N-O 3.01Å
134	Q	97.1	Very high	98.1	Very high	155 Å²	155	47.5 Å²	47.5	72%	0.724	26%	0.257	S	S	*	.			trans	-53.3	127.9	172.6	-176.3	-178.8	13.1	0	0	109.9	E136 R164	Q134-E136 PolarHBondContact O-N 3.41Å; Q134-R164 WeakPolarHBondContact O-CD 3.16Å; Q134-R164 PolarHBondContact O-NH1 2.91Å
135	S	97	Very high	98.2	Very high	21 Å²	21	48.2 Å²	48.2	15%	0.147	26%	0.262	C	S	.	.			trans	-66.7	-33.8	-161.1	60.5	0	0	0	0	114.8	L133 C137 V165	L133-S135 PolarHBondContact O-N 3.07Å; S135-C137 VanDerWaalsContact C-N 3.26Å; S135-C137 VanDerWaalsContact CB-SG 3.6Å; S135-C137 PolarHBondContact OG-N 2.95Å; S135-C137 PolarHBondContact OG-SG 2.96Å; S135-V165 WeakPolarHBondContact O-CB 3.4Å; S135-V165 WeakPolarHBondContact O-CG1 3.43Å; S135-V165 VanDerWaalsContact O-CG2 3.29Å; S135-V165 WeakPolarHBondContact O-CG2 3.34Å; S135-V165 PolarHBondContact O-N 3.36Å
136	E	98.3	Very high	98.3	Very high	53 Å²	53	46.7 Å²	46.7	25%	0.248	26%	0.256	C	S	.	.			trans	65.7	24.6	-170.5	-60.3	170.2	-166.2	0	0	113.3	Q134 D138 A139 R164 V165 W166	Q134-E136 PolarHBondContact O-N 3.41Å; E136-D138 PolarHBondContact O-N 3.28Å; E136-A139 HydrophobicContact CB-CB 4.14Å; E136-A139 PolarHBondContact O-N 2.97Å; E136-A139 VanDerWaalsContact O-N 3.16Å; E136-R164 WeakPolarHBondContact OE1-CD 3.44Å; E136-R164 IonicContact OE1-CZ 3.34Å; E136-R164 VanDerWaalsContact OE1-CZ 3.31Å; E136-R164 IonicContact OE1-NE 2.88Å; E136-R164 PolarHBondContact OE1-NE 2.79Å; E136-R164 IonicContact OE1-NH1 3.53Å; E136-R164 PolarHBondContact OE1-NH1 2.9Å; E136-R164 IonicContact OE1-NH2 3.23Å; E136-V165 HydrophobicContact CB-CG2 4.47Å; E136-W166 HydrophobicContact CB-CZ2 4.13Å; E136-W166 PolarHBondContact OE2-NE1 3.29Å
137	C	97.9	Very high	98.4	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36	-179.9	-74.3	0	0	0	0	114.5	C91 S135 V165 R279	C91-C137 HydrophobicContact CB-CB 3.94Å; C91-C137 WeakPolarHBondContact CB-SG 3.48Å; C91-C137 WeakPolarHBondContact SG-CB 3.03Å; C91-C137 CovalentContact SG-SG 2.03Å; C91-C137 PolarHBondContact SG-SG 3.1Å; S135-C137 VanDerWaalsContact C-N 3.26Å; S135-C137 VanDerWaalsContact CB-SG 3.6Å; S135-C137 PolarHBondContact OG-N 2.95Å; S135-C137 PolarHBondContact OG-SG 2.96Å; C137-V165 HydrophobicContact CB-CG1 4.4Å; C137-V165 WeakPolarHBondContact SG-CG1 3.29Å; C137-R279 PolarHBondContact O-NH1 2.88Å
138	D	97.9	Very high	98.4	Very high	138 Å²	138	45.7 Å²	45.7	74%	0.738	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	1.6	-174.7	-51.7	-48.2	0	0	0	112.7	E136	E136-D138 PolarHBondContact O-N 3.28Å
139	A	98.4	Very high	98.4	Very high	40 Å²	40	44.5 Å²	44.5	33%	0.331	25%	0.249	S	C	.	.	S	Bend	trans	-88.6	165.3	178.1	0	0	0	0	0	111.5	E136 W166 R279	E136-A139 HydrophobicContact CB-CB 4.14Å; E136-A139 PolarHBondContact O-N 2.97Å; E136-A139 VanDerWaalsContact O-N 3.16Å; A139-W166 WeakPolarHBondContact O-CH2 3.48Å; A139-R279 WeakPolarHBondContact O-CD 3.46Å; A139-R279 PolarHBondContact O-NH1 3.21Å
140	F	98.8	Very high	98.4	Very high	80 Å²	80	47.1 Å²	47.1	35%	0.351	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-88.2	142.7	161.6	-71.7	-86.9	0	0	0	109.8	I275 R279 P345	F140-I275 HydrophobicContact CD1-CG2 4.3Å; F140-I275 HydrophobicContact CE1-CG2 3.4Å; F140-I275 HydrophobicContact CZ-CG2 3.95Å; F140-R279 HydrophobicContact CD1-CB 3.89Å; F140-R279 HydrophobicContact CD1-CG 3.56Å; F140-R279 HydrophobicContact CE1-CB 3.84Å; F140-R279 HydrophobicContact CE1-CG 3.8Å; F140-R279 HydrophobicContact CG-CG 4.22Å; F140-P345 HydrophobicContact CD1-CB 4.14Å; F140-P345 HydrophobicContact CD1-CG 3.52Å; F140-P345 HydrophobicContact CD2-CB 3.57Å; F140-P345 HydrophobicContact CD2-CG 3.85Å; F140-P345 HydrophobicContact CE1-CB 4.29Å; F140-P345 HydrophobicContact CE1-CG 3.48Å; F140-P345 VanDerWaalsContact CE1-CG 3.48Å; F140-P345 HydrophobicContact CE2-CB 3.73Å; F140-P345 HydrophobicContact CE2-CG 3.8Å; F140-P345 HydrophobicContact CG-CB 3.8Å; F140-P345 HydrophobicContact CG-CG 3.72Å; F140-P345 HydrophobicContact CZ-CB 4.11Å; F140-P345 HydrophobicContact CZ-CG 3.63Å
141	P	98.7	Very high	98.4	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.052	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.5	152.2	170.9	29.6	-35	0	0	0	109.9	S145 W166 R284	P141-S145 WeakPolarHBondContact CA-OG 3.32Å; P141-W166 HydrophobicContact CB-CD2 4.25Å; P141-W166 HydrophobicContact CB-CE3 4.17Å; P141-W166 HydrophobicContact CB-CH2 4.17Å; P141-W166 HydrophobicContact CB-CZ2 4.24Å; P141-W166 HydrophobicContact CB-CZ3 4.13Å; P141-W166 HydrophobicContact CG-CH2 4.41Å; P141-W166 HydrophobicContact CG-CZ3 4.31Å; P141-R284 HydrophobicContact CB-CG 4.12Å; P141-R284 HydrophobicContact CG-CG 3.88Å; P141-R284 WeakPolarHBondContact O-CG 3.46Å
142	N	98.6	Very high	98.4	Very high	56 Å²	56	49.8 Å²	49.8	30%	0.299	28%	0.278	S	S	.	.			trans	-137.3	-178.9	174.6	66.2	49.6	0	0	0	110	S144 S145	N142-S144 PolarHBondContact O-N 3.14Å; N142-S144 VanDerWaalsContact O-N 3.14Å; N142-S144 WeakPolarHBondContact OD1-CA 3.28Å; N142-S144 PolarHBondContact OD1-N 3.09Å; N142-S144 PolarHBondContact OD1-OG 2.86Å; N142-S145 PolarHBondContact N-OG 3.29Å; N142-S145 WeakPolarHBondContact O-CB 3.3Å; N142-S145 PolarHBondContact O-N 3.08Å; N142-S145 PolarHBondContact O-OG 3.27Å; N142-S145 PolarHBondContact OD1-N 3.25Å; N142-S145 VanDerWaalsContact OD1-N 3.14Å
143	I	98.1	Very high	98.4	Very high	31 Å²	31	47.1 Å²	47.1	16%	0.159	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.9	-175.1	-168.2	59.6	0	0	0	114.4	S201 H202 F348 I482	I143-S201 VanDerWaalsContact O-CB 3.27Å; I143-S201 WeakPolarHBondContact O-CB 3.42Å; I143-S201 PolarHBondContact O-OG 2.76Å; I143-H202 HydrophobicContact CD1-CB 3.78Å; I143-F348 HydrophobicContact CB-CE2 4.45Å; I143-F348 HydrophobicContact CG2-CE2 4.14Å; I143-I482 HydrophobicContact CD1-CD1 4.23Å
144	S	98.4	Very high	98.4	Very high	99 Å²	99	47.5 Å²	47.5	69%	0.692	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	7.3	-179.5	60.6	0	0	0	0	113.8	N142 D146	N142-S144 PolarHBondContact O-N 3.14Å; N142-S144 VanDerWaalsContact O-N 3.14Å; N142-S144 WeakPolarHBondContact OD1-CA 3.28Å; N142-S144 PolarHBondContact OD1-N 3.09Å; N142-S144 PolarHBondContact OD1-OG 2.86Å; S144-D146 PolarHBondContact O-N 3.3Å
145	S	98.7	Very high	98.3	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.119	24%	0.241	C	C	.	.			trans	-55.4	129.3	173.8	-76.6	0	0	0	0	111.3	P141 N142 E147 W166	P141-S145 WeakPolarHBondContact CA-OG 3.32Å; N142-S145 PolarHBondContact N-OG 3.29Å; N142-S145 WeakPolarHBondContact O-CB 3.3Å; N142-S145 PolarHBondContact O-N 3.08Å; N142-S145 PolarHBondContact O-OG 3.27Å; N142-S145 PolarHBondContact OD1-N 3.25Å; N142-S145 VanDerWaalsContact OD1-N 3.14Å; S145-E147 PolarHBondContact O-N 3.09Å; S145-W166 VanDerWaalsContact CB-CD1 3.5Å; S145-W166 PolarHBondContact OG-NE1 2.99Å
146	D	98.8	Very high	98.2	Very high	49 Å²	49	45.7 Å²	45.7	26%	0.262	26%	0.255	S	S	.	.			trans	-80.1	109.6	-177.2	-175.7	-6.7	0	0	0	111.3	S144 S148 N163 R164 G167	S144-D146 PolarHBondContact O-N 3.3Å; D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.27Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 2.79Å; D146-S148 PolarHBondContact OD2-OG 2.93Å; D146-N163 WeakPolarHBondContact OD2-CB 3.26Å; D146-N163 PolarHBondContact OD2-ND2 2.98Å; D146-R164 HydrophobicContact CB-CG 3.89Å; D146-G167 PolarHBondContact O-N 3.23Å
147	E	98.9	Very high	98.2	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.037	25%	0.254	C	S	.	.			trans	-98.1	10.1	-179.2	-58.4	-173.9	83.2	0	0	113.4	S145 W166 G167 R170 P198 R203 N232 W514	S145-E147 PolarHBondContact O-N 3.09Å; E147-W166 HydrophobicContact CG-CB 4.17Å; E147-G167 WeakPolarHBondContact O-CA 3.46Å; E147-R170 HydrophobicContact CB-CG 4.36Å; E147-R170 IonicContact OE1-CZ 3.3Å; E147-R170 IonicContact OE1-NE 3.69Å; E147-R170 PolarHBondContact OE1-NE 3.36Å; E147-R170 IonicContact OE1-NH2 3.87Å; E147-R170 PolarHBondContact OE1-NH2 3.22Å; E147-P198 HydrophobicContact CB-CG 3.98Å; E147-R203 IonicContact OE1-CZ 3.63Å; E147-R203 IonicContact OE1-NH2 2.83Å; E147-R203 PolarHBondContact OE1-NH2 3.4Å; E147-R203 IonicContact OE2-CZ 3.36Å; E147-R203 VanDerWaalsContact OE2-CZ 3.31Å; E147-R203 IonicContact OE2-NH1 3.95Å; E147-R203 PolarHBondContact OE2-NH1 3.42Å; E147-R203 IonicContact OE2-NH2 3.32Å; E147-R203 PolarHBondContact OE2-NH2 3.49Å; E147-N232 PolarHBondContact OE2-ND2 3.43Å; E147-W514 HydrophobicContact CB-CH2 4.32Å
148	S	98.9	Very high	98.3	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	25%	0.252	C	S	.	.			trans	-75.9	144.3	179.8	68	0	0	0	0	112.8	D146 D196	D146-S148 VanDerWaalsContact OD1-CB 3.23Å; D146-S148 WeakPolarHBondContact OD1-CB 3.27Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 2.79Å; D146-S148 PolarHBondContact OD2-OG 2.93Å; S148-D196 WeakPolarHBondContact CA-O 3.38Å
149	Y	98.9	Very high	98.3	Very high	5 Å²	5	40 Å²	40	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.8	175.6	68.6	-83.9	0	0	0	112.1	L151 L160 K161 G167 R170 G171 T174 I194 D196 W514	Y149-L151 HydrophobicContact CD2-CB 4.43Å; Y149-L151 HydrophobicContact CE2-CB 4.38Å; Y149-L160 HydrophobicContact CD2-CD1 3.69Å; Y149-L160 HydrophobicContact CG-CD1 4.12Å; Y149-K161 CarbonylContact C-O 3.42Å; Y149-K161 VanDerWaalsContact CA-O 3.31Å; Y149-K161 WeakPolarHBondContact CA-O 3.4Å; Y149-G167 WeakPolarHBondContact CB-O 3.33Å; Y149-G167 WeakPolarHBondContact CD1-O 3.44Å; Y149-R170 HydrophobicContact CD1-CB 3.89Å; Y149-R170 HydrophobicContact CE1-CB 3.66Å; Y149-G171 VanDerWaalsContact CD2-CA 3.43Å; Y149-T174 VanDerWaalsContact OH-CB 3.31Å; Y149-T174 WeakPolarHBondContact OH-CB 3.36Å; Y149-T174 PolarHBondContact OH-OG1 3.17Å; Y149-I194 HydrophobicContact CE2-CG2 4.4Å; Y149-D196 HydrophobicContact CD1-CB 4.27Å; Y149-D196 HydrophobicContact CE1-CB 3.57Å; Y149-D196 WeakPolarHBondContact CE1-OD2 3.4Å; Y149-D196 HydrophobicContact CE2-CB 4.05Å; Y149-D196 VanDerWaalsContact CZ-CB 3.42Å; Y149-D196 PolarHBondContact N-O 2.88Å; Y149-D196 PolarHBondContact O-N 3.3Å; Y149-D196 WeakPolarHBondContact OH-CB 3.1Å; Y149-D196 PolarHBondContact OH-OD2 2.94Å; Y149-W514 HydrophobicContact CE1-CZ2 4.19Å
150	T	98.9	Very high	98.3	Very high	55 Å²	55	38.1 Å²	38.1	34%	0.337	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142.2	166.5	64	0	0	0	0	110	K161 I194 I195	T150-K161 PolarHBondContact N-O 2.95Å; T150-K161 PolarHBondContact O-N 3.19Å; T150-I194 CarbonylContact C-O 3.52Å; T150-I194 VanDerWaalsContact CA-O 3.28Å; T150-I194 WeakPolarHBondContact CA-O 3.42Å; T150-I195 HydrophobicContact CG2-CB 4.34Å; T150-I195 HydrophobicContact CG2-CG1 3.97Å; T150-I195 HydrophobicContact CG2-CG2 4.12Å
151	L	98.9	Very high	98.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.7	-179.8	-172	69	0	0	0	108.8	L127 Y149 V153 V159 L160 T174 F175 L178 T193 I194	L127-L151 HydrophobicContact CD1-CD1 4.08Å; Y149-L151 HydrophobicContact CD2-CB 4.43Å; Y149-L151 HydrophobicContact CE2-CB 4.38Å; L151-V153 HydrophobicContact CD2-CG2 4.24Å; L151-V153 HydrophobicContact CG-CG2 4.1Å; L151-V159 WeakPolarHBondContact CA-O 3.37Å; L151-L160 HydrophobicContact CD1-CB 3.77Å; L151-L160 HydrophobicContact CD1-CD1 4.13Å; L151-L160 HydrophobicContact CD1-CG 4.44Å; L151-T174 HydrophobicContact CD2-CG2 4.39Å; L151-F175 HydrophobicContact CD1-CB 4.3Å; L151-F175 HydrophobicContact CD1-CD2 4.02Å; L151-F175 HydrophobicContact CD2-CB 3.85Å; L151-F175 HydrophobicContact CD2-CD2 4.07Å; L151-F175 HydrophobicContact CD2-CG 4.48Å; L151-F175 HydrophobicContact CG-CD2 4.43Å; L151-L178 HydrophobicContact CD2-CD1 3.82Å; L151-T193 CarbonylContact O-C 3.58Å; L151-T193 WeakPolarHBondContact O-CA 3.31Å; L151-I194 HydrophobicContact CB-CB 4.19Å; L151-I194 PolarHBondContact N-O 3.35Å; L151-I194 PolarHBondContact O-N 2.91Å
152	L	98.8	Very high	98.4	Very high	61 Å²	61	38.8 Å²	38.8	32%	0.319	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	100.7	175.5	178.7	62.7	0	0	0	108.3	K154 A158 V159 T193	L152-K154 HydrophobicContact CD2-CD 3.79Å; L152-K154 HydrophobicContact CD2-CG 4.4Å; L152-K154 HydrophobicContact CG-CD 4.01Å; L152-K154 HydrophobicContact CG-CG 4.11Å; L152-A158 CarbonylContact O-C 3.55Å; L152-A158 VanDerWaalsContact O-CA 3.3Å; L152-A158 WeakPolarHBondContact O-CA 3.5Å; L152-V159 PolarHBondContact N-O 3Å; L152-V159 PolarHBondContact O-N 3.33Å; L152-T193 WeakPolarHBondContact CD1-OG1 3.34Å
153	V	98.7	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	107.6	175.5	-176.8	0	0	0	0	107.8	L70 L151 F175 L178 I189 E191 S192	L70-V153 HydrophobicContact CD1-CG1 4.32Å; L151-V153 HydrophobicContact CD2-CG2 4.24Å; L151-V153 HydrophobicContact CG-CG2 4.1Å; V153-F175 HydrophobicContact CG2-CD2 4.27Å; V153-F175 HydrophobicContact CG2-CE2 4.3Å; V153-L178 HydrophobicContact CG2-CD1 3.96Å; V153-I189 HydrophobicContact CB-CD1 4.45Å; V153-I189 HydrophobicContact CG1-CD1 3.61Å; V153-I189 HydrophobicContact CG1-CG1 3.89Å; V153-I189 HydrophobicContact CG1-CG2 3.93Å; V153-I189 HydrophobicContact CG2-CD1 4Å; V153-E191 WeakPolarHBondContact O-CA 3.41Å; V153-E191 WeakPolarHBondContact O-CG 3.34Å; V153-S192 PolarHBondContact N-O 2.97Å; V153-S192 PolarHBondContact O-N 3.37Å
154	K	97.4	Very high	98.4	Very high	83 Å²	83	39.7 Å²	39.7	36%	0.361	22%	0.217	S	C	.	.			trans	-149.1	166.7	177.7	64.2	173.6	175.4	172.9	0	109.6	L152 V157 A158	L152-K154 HydrophobicContact CD2-CD 3.79Å; L152-K154 HydrophobicContact CD2-CG 4.4Å; L152-K154 HydrophobicContact CG-CD 4.01Å; L152-K154 HydrophobicContact CG-CG 4.11Å; K154-V157 WeakPolarHBondContact CG-O 3.46Å; K154-V157 CarbonylContact O-C 3.56Å; K154-V157 VanDerWaalsContact O-C 3.27Å; K154-A158 PolarHBondContact O-N 2.99Å
155	E	95.1	Very high	98.4	Very high	71 Å²	71	35 Å²	35	33%	0.332	18%	0.184	S	C	.	.	S	Bend	trans	-92	158.2	171.7	64.2	156.7	-157.8	0	0	113.8	L70 K121 T122	L70-E155 HydrophobicContact CD2-CB 4.2Å; L70-E155 HydrophobicContact CD2-CG 4.32Å; K121-E155 VanDerWaalsContact C-CD 3.43Å; K121-E155 WeakPolarHBondContact CA-OE2 3.27Å; K121-E155 VanDerWaalsContact O-CD 3.23Å; T122-E155 VanDerWaalsContact CA-OE2 3.32Å; T122-E155 WeakPolarHBondContact CA-OE2 3.33Å; T122-E155 PolarHBondContact N-OE2 2.97Å
156	P	96	Very high	98.4	Very high	67 Å²	67	34.2 Å²	34.2	44%	0.435	18%	0.178	S	C	.	.	S	Bend	cis	-76.3	-8.8	-15.5	30.6	-31.9	0	0	0	112.6	Q125	Q125-P156 PolarHBondContact N-O 3.37Å
157	V	98.2	Very high	98.4	Very high	37 Å²	37	31.9 Å²	31.9	22%	0.224	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.2	-172.5	179.6	0	0	0	0	110.5	Q126 L128 K154	Q126-V157 HydrophobicContact CB-CG1 4.34Å; Q126-V157 HydrophobicContact CB-CG2 4.3Å; Q126-V157 WeakPolarHBondContact O-CA 3.03Å; L128-V157 HydrophobicContact CB-CG1 4.2Å; L128-V157 HydrophobicContact CD1-CG1 3.7Å; L128-V157 HydrophobicContact CG-CG1 3.61Å; K154-V157 WeakPolarHBondContact CG-O 3.46Å; K154-V157 CarbonylContact O-C 3.56Å; K154-V157 VanDerWaalsContact O-C 3.27Å
158	A	98.7	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.7	168.1	0	0	0	0	0	110.2	V124 Q126 L127 L128 L152 K154 F175	V124-A158 HydrophobicContact CG1-CB 3.96Å; Q126-A158 PolarHBondContact O-N 2.83Å; L127-A158 WeakPolarHBondContact CA-O 3.3Å; L127-A158 HydrophobicContact CD1-CB 3.81Å; L128-A158 PolarHBondContact N-O 3.27Å; L152-A158 CarbonylContact O-C 3.55Å; L152-A158 VanDerWaalsContact O-CA 3.3Å; L152-A158 WeakPolarHBondContact O-CA 3.5Å; K154-A158 PolarHBondContact O-N 2.99Å; A158-F175 HydrophobicContact CB-CE2 4.17Å
159	V	98.9	Very high	98.4	Very high	42 Å²	42	30.1 Å²	30.1	26%	0.255	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124	-178	-177.7	0	0	0	0	110.4	L128 L151 L152	L128-V159 WeakPolarHBondContact O-CA 3.34Å; L151-V159 WeakPolarHBondContact CA-O 3.37Å; L152-V159 PolarHBondContact N-O 3Å; L152-V159 PolarHBondContact O-N 3.33Å
160	L	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.8	165.9	170.6	56.1	0	0	0	108.4	L127 L128 V129 S130 Y149 L151 A168 L172	L127-L160 HydrophobicContact CD1-CB 4.01Å; L128-L160 PolarHBondContact O-N 3.14Å; V129-L160 CarbonylContact C-O 3.55Å; V129-L160 WeakPolarHBondContact CA-O 3.44Å; V129-L160 HydrophobicContact CG1-CD2 4.39Å; V129-L160 HydrophobicContact CG1-CG 4.48Å; V129-L160 HydrophobicContact CG2-CB 4.35Å; V129-L160 HydrophobicContact CG2-CD2 4.24Å; S130-L160 PolarHBondContact N-O 3.32Å; Y149-L160 HydrophobicContact CD2-CD1 3.69Å; Y149-L160 HydrophobicContact CG-CD1 4.12Å; L151-L160 HydrophobicContact CD1-CB 3.77Å; L151-L160 HydrophobicContact CD1-CD1 4.13Å; L151-L160 HydrophobicContact CD1-CG 4.44Å; L160-A168 HydrophobicContact CD2-CB 4.4Å; L160-A168 WeakPolarHBondContact CD2-O 3.41Å; L160-L172 HydrophobicContact CD2-CD2 4.06Å; L160-L172 HydrophobicContact CD2-CG 3.79Å
161	K	98.9	Very high	98.4	Very high	99 Å²	99	27.5 Å²	27.5	43%	0.43	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.6	177.6	-175.2	178.8	179.8	-179.4	0	109.9	S130 T132 Y149 T150	S130-K161 WeakPolarHBondContact O-CA 3.15Å; T132-K161 WeakPolarHBondContact OG1-CE 3.37Å; Y149-K161 CarbonylContact C-O 3.42Å; Y149-K161 VanDerWaalsContact CA-O 3.31Å; Y149-K161 WeakPolarHBondContact CA-O 3.4Å; T150-K161 PolarHBondContact N-O 2.95Å; T150-K161 PolarHBondContact O-N 3.19Å
162	A	98.9	Very high	98.4	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.6	176.5	0	0	0	0	0	110.7	S130 I131 T132 R164 A168	S130-A162 PolarHBondContact O-N 3.5Å; I131-A162 WeakPolarHBondContact CA-O 3.46Å; I131-A162 HydrophobicContact CD1-CB 4.4Å; T132-A162 PolarHBondContact N-O 3.16Å; T132-A162 PolarHBondContact OG1-O 3.47Å; T132-A162 VanDerWaalsContact OG1-O 3.12Å; A162-R164 WeakPolarHBondContact CB-O 3.45Å; A162-A168 HydrophobicContact CB-CB 4.21Å
163	N	98.7	Very high	98.4	Very high	54 Å²	54	24.6 Å²	24.6	29%	0.289	12%	0.123	S	C	.	.	S	Bend	trans	-72.7	-42.2	173.7	-75.6	-17.9	0	0	0	111.3	I131 L133 D146	I131-N163 WeakPolarHBondContact CG2-O 3.34Å; L133-N163 WeakPolarHBondContact CB-O 3.33Å; L133-N163 HydrophobicContact CD1-CB 4.05Å; L133-N163 HydrophobicContact CG-CB 4.3Å; L133-N163 PolarHBondContact N-O 3.01Å; D146-N163 WeakPolarHBondContact OD2-CB 3.26Å; D146-N163 PolarHBondContact OD2-ND2 2.98Å
164	R	98.7	Very high	98.4	Very high	51 Å²	51	24.6 Å²	24.6	19%	0.192	12%	0.123	C	C	.	.	S	Bend	trans	-130.8	170.1	-177.2	-50.9	-62.4	178.2	163.6	9.8	111	Q134 E136 D146 A162 W166 G167 A168	Q134-R164 WeakPolarHBondContact O-CD 3.16Å; Q134-R164 PolarHBondContact O-NH1 2.91Å; E136-R164 WeakPolarHBondContact OE1-CD 3.44Å; E136-R164 IonicContact OE1-CZ 3.34Å; E136-R164 VanDerWaalsContact OE1-CZ 3.31Å; E136-R164 IonicContact OE1-NE 2.88Å; E136-R164 PolarHBondContact OE1-NE 2.79Å; E136-R164 IonicContact OE1-NH1 3.53Å; E136-R164 PolarHBondContact OE1-NH1 2.9Å; E136-R164 IonicContact OE1-NH2 3.23Å; D146-R164 HydrophobicContact CB-CG 3.89Å; A162-R164 WeakPolarHBondContact CB-O 3.45Å; R164-W166 HydrophobicContact CB-CG 4.5Å; R164-W166 PolarHBondContact O-N 2.89Å; R164-G167 PolarHBondContact O-N 3.41Å; R164-A168 PolarHBondContact O-N 3.06Å
165	V	98.8	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-30.4	175.8	-65.5	0	0	0	0	112.8	L93 L94 S135 E136 C137 A168 L169	L93-V165 HydrophobicContact CD1-CG2 4.28Å; L93-V165 HydrophobicContact CD2-CB 3.92Å; L93-V165 HydrophobicContact CD2-CG1 4.5Å; L93-V165 HydrophobicContact CD2-CG2 4.28Å; L94-V165 HydrophobicContact CD1-CG1 4.05Å; L94-V165 HydrophobicContact CD2-CB 4.45Å; L94-V165 HydrophobicContact CD2-CG1 4.47Å; L94-V165 HydrophobicContact CG-CG1 4.16Å; S135-V165 WeakPolarHBondContact O-CB 3.4Å; S135-V165 WeakPolarHBondContact O-CG1 3.43Å; S135-V165 VanDerWaalsContact O-CG2 3.29Å; S135-V165 WeakPolarHBondContact O-CG2 3.34Å; S135-V165 PolarHBondContact O-N 3.36Å; E136-V165 HydrophobicContact CB-CG2 4.47Å; C137-V165 HydrophobicContact CB-CG1 4.4Å; C137-V165 WeakPolarHBondContact SG-CG1 3.29Å; V165-A168 WeakPolarHBondContact O-CB 3.36Å; V165-A168 PolarHBondContact O-N 3.02Å; V165-L169 WeakPolarHBondContact O-CG 3.3Å; V165-L169 PolarHBondContact O-N 2.91Å
166	W	98.9	Very high	98.7	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-49.3	-178.9	-38.9	116.9	0	0	0	111.6	L93 E136 A139 P141 S145 E147 R164 A168 L169 R170	L93-W166 HydrophobicContact CD1-CH2 4.19Å; L93-W166 HydrophobicContact CD1-CZ3 3.72Å; E136-W166 HydrophobicContact CB-CZ2 4.13Å; E136-W166 PolarHBondContact OE2-NE1 3.29Å; A139-W166 WeakPolarHBondContact O-CH2 3.48Å; P141-W166 HydrophobicContact CB-CD2 4.25Å; P141-W166 HydrophobicContact CB-CE3 4.17Å; P141-W166 HydrophobicContact CB-CH2 4.17Å; P141-W166 HydrophobicContact CB-CZ2 4.24Å; P141-W166 HydrophobicContact CB-CZ3 4.13Å; P141-W166 HydrophobicContact CG-CH2 4.41Å; P141-W166 HydrophobicContact CG-CZ3 4.31Å; S145-W166 VanDerWaalsContact CB-CD1 3.5Å; S145-W166 PolarHBondContact OG-NE1 2.99Å; E147-W166 HydrophobicContact CG-CB 4.17Å; R164-W166 HydrophobicContact CB-CG 4.5Å; R164-W166 PolarHBondContact O-N 2.89Å; W166-A168 VanDerWaalsContact C-N 3.29Å; W166-A168 PolarHBondContact O-N 3.44Å; W166-L169 HydrophobicContact CE3-CD1 4.36Å; W166-L169 WeakPolarHBondContact O-CB 3.32Å; W166-L169 PolarHBondContact O-N 2.9Å; W166-L169 VanDerWaalsContact O-N 3.16Å; W166-R170 WeakPolarHBondContact O-CG 3.48Å; W166-R170 PolarHBondContact O-N 3.2Å
167	G	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-37.2	174.3	0	0	0	0	0	113.1	D146 E147 Y149 R164 L169 R170 G171	D146-G167 PolarHBondContact O-N 3.23Å; E147-G167 WeakPolarHBondContact O-CA 3.46Å; Y149-G167 WeakPolarHBondContact CB-O 3.33Å; Y149-G167 WeakPolarHBondContact CD1-O 3.44Å; R164-G167 PolarHBondContact O-N 3.41Å; G167-L169 PolarHBondContact O-N 2.69Å; G167-R170 PolarHBondContact O-N 3.04Å; G167-G171 PolarHBondContact O-N 3.28Å
168	A	98.9	Very high	98.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64	-40.6	175.1	0	0	0	0	0	112.3	L94 V129 I131 L160 A162 R164 V165 W166 R170 G171 L172	L94-A168 HydrophobicContact CD2-CB 4.05Å; V129-A168 HydrophobicContact CG1-CB 3.93Å; I131-A168 HydrophobicContact CD1-CB 3.62Å; L160-A168 HydrophobicContact CD2-CB 4.4Å; L160-A168 WeakPolarHBondContact CD2-O 3.41Å; A162-A168 HydrophobicContact CB-CB 4.21Å; R164-A168 PolarHBondContact O-N 3.06Å; V165-A168 WeakPolarHBondContact O-CB 3.36Å; V165-A168 PolarHBondContact O-N 3.02Å; W166-A168 VanDerWaalsContact C-N 3.29Å; W166-A168 PolarHBondContact O-N 3.44Å; A168-R170 VanDerWaalsContact C-N 3.28Å; A168-R170 PolarHBondContact O-N 3.2Å; A168-G171 PolarHBondContact O-N 2.87Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.42Å; A168-L172 PolarHBondContact O-N 2.8Å
169	L	98.9	Very high	98.6	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-38.2	174.7	-68.2	179.9	0	0	0	112.6	L93 A97 Y101 V165 W166 G167 E173 R281	L93-L169 HydrophobicContact CD1-CD1 4.39Å; L93-L169 HydrophobicContact CD2-CD1 3.91Å; L93-L169 HydrophobicContact CD2-CD2 3.81Å; L93-L169 HydrophobicContact CD2-CG 3.93Å; L93-L169 HydrophobicContact CG-CD1 4.4Å; A97-L169 HydrophobicContact CB-CD2 3.55Å; Y101-L169 PolarHBondContact OH-O 2.92Å; V165-L169 WeakPolarHBondContact O-CG 3.3Å; V165-L169 PolarHBondContact O-N 2.91Å; W166-L169 HydrophobicContact CE3-CD1 4.36Å; W166-L169 WeakPolarHBondContact O-CB 3.32Å; W166-L169 PolarHBondContact O-N 2.9Å; W166-L169 VanDerWaalsContact O-N 3.16Å; G167-L169 PolarHBondContact O-N 2.69Å; L169-E173 PolarHBondContact O-N 2.95Å; L169-R281 VanDerWaalsContact CD1-C 3.47Å
170	R	98.9	Very high	98.3	Very high	5 Å²	5	13.1 Å²	13.1	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-71.3	-41.4	177	-53.6	-59	175.3	-108.9	-4	111.9	E147 Y149 W166 G167 A168 E173 T174 K230 R281 G282 W514	E147-R170 HydrophobicContact CB-CG 4.36Å; E147-R170 IonicContact OE1-CZ 3.3Å; E147-R170 IonicContact OE1-NE 3.69Å; E147-R170 PolarHBondContact OE1-NE 3.36Å; E147-R170 IonicContact OE1-NH2 3.87Å; E147-R170 PolarHBondContact OE1-NH2 3.22Å; Y149-R170 HydrophobicContact CD1-CB 3.89Å; Y149-R170 HydrophobicContact CE1-CB 3.66Å; W166-R170 WeakPolarHBondContact O-CG 3.48Å; W166-R170 PolarHBondContact O-N 3.2Å; G167-R170 PolarHBondContact O-N 3.04Å; A168-R170 VanDerWaalsContact C-N 3.28Å; A168-R170 PolarHBondContact O-N 3.2Å; R170-E173 WeakPolarHBondContact O-CB 3.36Å; R170-E173 PolarHBondContact O-N 2.96Å; R170-T174 PolarHBondContact O-N 3.49Å; R170-T174 PolarHBondContact O-OG1 3.49Å; R170-K230 HydrophobicContact CB-CD 4.41Å; R170-R281 PolarHBondContact NH1-O 2.67Å; R170-G282 PolarHBondContact NH2-O 2.89Å; R170-W514 HydrophobicContact CB-CH2 3.9Å; R170-W514 HydrophobicContact CB-CZ2 4.48Å; R170-W514 HydrophobicContact CG-CH2 3.66Å; R170-W514 HydrophobicContact CG-CZ3 4.06Å
171	G	98.9	Very high	97.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-32.6	178	0	0	0	0	0	113.8	Y149 G167 A168 T174 F175	Y149-G171 VanDerWaalsContact CD2-CA 3.43Å; G167-G171 PolarHBondContact O-N 3.28Å; A168-G171 PolarHBondContact O-N 2.87Å; G171-T174 PolarHBondContact O-N 3.17Å; G171-F175 WeakPolarHBondContact O-CB 3.22Å; G171-F175 PolarHBondContact O-N 3.03Å
172	L	98.9	Very high	97.3	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-41	171.6	-73	168.2	0	0	0	111.8	I79 A97 F98 Y101 L127 V129 L160 A168 F175 S176	I79-L172 HydrophobicContact CD1-CD2 4.33Å; I79-L172 HydrophobicContact CG2-CD2 3.94Å; A97-L172 HydrophobicContact CB-CD1 3.82Å; F98-L172 HydrophobicContact CD1-CD1 3.96Å; F98-L172 HydrophobicContact CD1-CD2 4.42Å; F98-L172 HydrophobicContact CE1-CD1 4.07Å; Y101-L172 HydrophobicContact CD1-CB 4.3Å; Y101-L172 HydrophobicContact CD2-CB 3.42Å; Y101-L172 VanDerWaalsContact CD2-CB 3.42Å; Y101-L172 HydrophobicContact CD2-CD1 3.78Å; Y101-L172 HydrophobicContact CD2-CG 4.1Å; Y101-L172 HydrophobicContact CE1-CB 4.31Å; Y101-L172 HydrophobicContact CE2-CB 3.36Å; Y101-L172 HydrophobicContact CE2-CD1 4Å; Y101-L172 HydrophobicContact CE2-CG 4.3Å; Y101-L172 HydrophobicContact CG-CB 3.89Å; L127-L172 HydrophobicContact CD2-CD2 3.95Å; V129-L172 HydrophobicContact CG2-CD2 4.41Å; L160-L172 HydrophobicContact CD2-CD2 4.06Å; L160-L172 HydrophobicContact CD2-CG 3.79Å; A168-L172 WeakPolarHBondContact O-CB 3.31Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.42Å; A168-L172 PolarHBondContact O-N 2.8Å; L172-F175 PolarHBondContact O-N 3.5Å; L172-S176 PolarHBondContact O-N 2.97Å
173	E	98.9	Very high	96.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-55.9	171.8	179.1	53.9	-145	0	0	109.2	Y101 L169 R170 F175 S176 Q177 R539	Y101-E173 VanDerWaalsContact CE1-CA 3.48Å; Y101-E173 HydrophobicContact CE1-CB 4.11Å; Y101-E173 WeakPolarHBondContact CE1-OE2 3.3Å; Y101-E173 WeakPolarHBondContact OH-CB 3.4Å; Y101-E173 PolarHBondContact OH-N 3.27Å; L169-E173 PolarHBondContact O-N 2.95Å; R170-E173 WeakPolarHBondContact O-CB 3.36Å; R170-E173 PolarHBondContact O-N 2.96Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.42Å; E173-S176 WeakPolarHBondContact O-CA 3.44Å; E173-S176 WeakPolarHBondContact O-CB 3.24Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.97Å; E173-Q177 HydrophobicContact CG-CG 4.45Å; E173-Q177 VanDerWaalsContact O-CG 3.32Å; E173-Q177 WeakPolarHBondContact O-CG 3.33Å; E173-Q177 PolarHBondContact O-N 2.69Å; E173-Q177 VanDerWaalsContact O-N 3.08Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.33Å; E173-Q177 PolarHBondContact OE1-NE2 2.94Å; E173-R539 IonicContact OE1-NH1 3.91Å; E173-R539 PolarHBondContact OE1-NH1 2.85Å; E173-R539 VanDerWaalsContact OE1-NH1 3.16Å; E173-R539 IonicContact OE2-CZ 3.73Å; E173-R539 IonicContact OE2-NH1 3.86Å; E173-R539 PolarHBondContact OE2-NH1 2.83Å
174	T	98.9	Very high	96.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.1	-42.4	-179.9	-61	0	0	0	0	113.1	L56 P60 Y149 L151 R170 G171 S176 Q177 L178 I194 K230	L56-T174 HydrophobicContact CD2-CG2 4.16Å; P60-T174 HydrophobicContact CG-CG2 4.01Å; Y149-T174 VanDerWaalsContact OH-CB 3.31Å; Y149-T174 WeakPolarHBondContact OH-CB 3.36Å; Y149-T174 PolarHBondContact OH-OG1 3.17Å; L151-T174 HydrophobicContact CD2-CG2 4.39Å; R170-T174 PolarHBondContact O-N 3.49Å; R170-T174 PolarHBondContact O-OG1 3.49Å; G171-T174 PolarHBondContact O-N 3.17Å; T174-S176 VanDerWaalsContact C-N 3.33Å; T174-S176 PolarHBondContact O-N 3.28Å; T174-Q177 WeakPolarHBondContact O-CB 3.33Å; T174-Q177 PolarHBondContact O-N 3.12Å; T174-Q177 VanDerWaalsContact O-N 3.12Å; T174-L178 WeakPolarHBondContact O-CG 3.4Å; T174-L178 PolarHBondContact O-N 3.5Å; T174-I194 HydrophobicContact CG2-CD1 3.67Å; T174-I194 HydrophobicContact CG2-CG2 4.47Å; T174-K230 VanDerWaalsContact OG1-CE 3.26Å; T174-K230 WeakPolarHBondContact OG1-CE 3.47Å; T174-K230 PolarHBondContact OG1-NZ 3.17Å
175	F	98.9	Very high	95.4	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-45.2	175	-177.3	-91.1	0	0	0	111.5	L72 F77 I105 L127 L151 V153 A158 G171 L172 E173 Q177 L178 V179 I189	L72-F175 HydrophobicContact CD2-CE1 4.35Å; L72-F175 HydrophobicContact CD2-CZ 4.17Å; F77-F175 HydrophobicContact CE1-CE1 4.23Å; F77-F175 HydrophobicContact CE2-CE1 4.48Å; F77-F175 HydrophobicContact CE2-CZ 4.11Å; F77-F175 AromaticContact CZ-CE1 3.63Å; F77-F175 HydrophobicContact CZ-CE1 3.63Å; F77-F175 AromaticContact CZ-CZ 3.65Å; F77-F175 HydrophobicContact CZ-CZ 3.65Å; I105-F175 HydrophobicContact CD1-CD1 3.92Å; I105-F175 HydrophobicContact CD1-CE1 3.93Å; L127-F175 HydrophobicContact CB-CZ 4.48Å; L127-F175 HydrophobicContact CD1-CD2 4.15Å; L127-F175 HydrophobicContact CD1-CE2 4.15Å; L127-F175 HydrophobicContact CD2-CB 4.32Å; L127-F175 HydrophobicContact CD2-CD1 3.83Å; L127-F175 HydrophobicContact CD2-CD2 4Å; L127-F175 HydrophobicContact CD2-CE1 4.11Å; L127-F175 HydrophobicContact CD2-CE2 4.26Å; L127-F175 HydrophobicContact CD2-CG 3.77Å; L127-F175 HydrophobicContact CD2-CZ 4.31Å; L151-F175 HydrophobicContact CD1-CB 4.3Å; L151-F175 HydrophobicContact CD1-CD2 4.02Å; L151-F175 HydrophobicContact CD2-CB 3.85Å; L151-F175 HydrophobicContact CD2-CD2 4.07Å; L151-F175 HydrophobicContact CD2-CG 4.48Å; L151-F175 HydrophobicContact CG-CD2 4.43Å; V153-F175 HydrophobicContact CG2-CD2 4.27Å; V153-F175 HydrophobicContact CG2-CE2 4.3Å; A158-F175 HydrophobicContact CB-CE2 4.17Å; G171-F175 WeakPolarHBondContact O-CB 3.22Å; G171-F175 PolarHBondContact O-N 3.03Å; L172-F175 PolarHBondContact O-N 3.5Å; E173-F175 VanDerWaalsContact C-N 3.31Å; E173-F175 PolarHBondContact O-N 3.42Å; F175-Q177 PolarHBondContact O-N 3.29Å; F175-L178 WeakPolarHBondContact O-CB 3.42Å; F175-L178 PolarHBondContact O-N 3.29Å; F175-V179 HydrophobicContact CD1-CG2 4.46Å; F175-V179 HydrophobicContact CE1-CG2 4.04Å; F175-V179 HydrophobicContact CZ-CG2 4.43Å; F175-V179 PolarHBondContact O-N 2.78Å; F175-I189 HydrophobicContact CD2-CD1 4.2Å; F175-I189 HydrophobicContact CE2-CD1 3.8Å; F175-I189 HydrophobicContact CZ-CD1 4.16Å
176	S	98.3	Very high	95	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.035	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-26.3	177.4	78.9	0	0	0	0	113.5	L172 E173 T174 R539	L172-S176 PolarHBondContact O-N 2.97Å; E173-S176 WeakPolarHBondContact O-CA 3.44Å; E173-S176 WeakPolarHBondContact O-CB 3.24Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.97Å; T174-S176 VanDerWaalsContact C-N 3.33Å; T174-S176 PolarHBondContact O-N 3.28Å; S176-R539 PolarHBondContact OG-NH2 3.3Å
177	Q	97.9	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-80	-19.2	176.5	-58.1	-172.4	-4.1	0	0	113.4	L56 W57 E173 T174 F175 R535	L56-Q177 HydrophobicContact CD2-CB 3.82Å; W57-Q177 PolarHBondContact O-NE2 3.46Å; W57-Q177 PolarHBondContact O-OE1 3.47Å; E173-Q177 HydrophobicContact CG-CG 4.45Å; E173-Q177 VanDerWaalsContact O-CG 3.32Å; E173-Q177 WeakPolarHBondContact O-CG 3.33Å; E173-Q177 PolarHBondContact O-N 2.69Å; E173-Q177 VanDerWaalsContact O-N 3.08Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.33Å; E173-Q177 PolarHBondContact OE1-NE2 2.94Å; T174-Q177 WeakPolarHBondContact O-CB 3.33Å; T174-Q177 PolarHBondContact O-N 3.12Å; T174-Q177 VanDerWaalsContact O-N 3.12Å; F175-Q177 PolarHBondContact O-N 3.29Å; Q177-R535 VanDerWaalsContact CB-NH1 3.33Å; Q177-R535 PolarHBondContact O-NH2 2.88Å
178	L	98	Very high	94.5	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-82.4	-28.2	177.1	-70.7	174.3	0	0	0	112.9	P54 L56 L151 V153 T174 F175 Y180 I189 I194	P54-L178 HydrophobicContact CB-CD2 4.1Å; P54-L178 HydrophobicContact CG-CD2 4.48Å; L56-L178 HydrophobicContact CD1-CD2 4.17Å; L56-L178 HydrophobicContact CD2-CD2 3.8Å; L56-L178 HydrophobicContact CD2-CG 4.11Å; L56-L178 HydrophobicContact CG-CD2 4.3Å; L151-L178 HydrophobicContact CD2-CD1 3.82Å; V153-L178 HydrophobicContact CG2-CD1 3.96Å; T174-L178 WeakPolarHBondContact O-CG 3.4Å; T174-L178 PolarHBondContact O-N 3.5Å; F175-L178 WeakPolarHBondContact O-CB 3.42Å; F175-L178 PolarHBondContact O-N 3.29Å; L178-Y180 WeakPolarHBondContact O-CD1 3.46Å; L178-I189 HydrophobicContact CB-CD1 3.66Å; L178-I189 HydrophobicContact CB-CG1 3.86Å; L178-I189 HydrophobicContact CD1-CD1 4.33Å; L178-I194 HydrophobicContact CD1-CD1 3.78Å; L178-I194 HydrophobicContact CD2-CD1 4.19Å; L178-I194 HydrophobicContact CG-CD1 4.33Å
179	V	96.3	Very high	94.4	Very high	15 Å²	15	24.4 Å²	24.4	9%	0.091	13%	0.13	C	C	.	.			trans	-75.4	133.3	176.1	-175.6	0	0	0	0	109.2	L72 I105 F175 F187 T188 I189	L72-V179 HydrophobicContact CD1-CG1 4.23Å; L72-V179 HydrophobicContact CD1-CG2 4.26Å; L72-V179 HydrophobicContact CD2-CG2 4.02Å; I105-V179 HydrophobicContact CG2-CB 4.15Å; I105-V179 HydrophobicContact CG2-CG1 3.85Å; I105-V179 HydrophobicContact CG2-CG2 4.16Å; F175-V179 HydrophobicContact CD1-CG2 4.46Å; F175-V179 HydrophobicContact CE1-CG2 4.04Å; F175-V179 HydrophobicContact CZ-CG2 4.43Å; F175-V179 PolarHBondContact O-N 2.78Å; V179-F187 HydrophobicContact CG1-CB 4.4Å; V179-F187 HydrophobicContact CG1-CD1 4.13Å; V179-T188 WeakPolarHBondContact CA-O 3.35Å; V179-I189 HydrophobicContact CG2-CB 4.5Å; V179-I189 HydrophobicContact CG2-CD1 3.97Å
180	Y	92.9	Very high	94.4	Very high	35 Å²	35	25.5 Å²	25.5	14%	0.137	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.1	174.7	60.8	-85.2	0	0	0	110.3	L69 L178 F187 T188 N190	L69-Y180 WeakPolarHBondContact CD2-OH 3.41Å; L178-Y180 WeakPolarHBondContact O-CD1 3.46Å; Y180-F187 WeakPolarHBondContact O-CA 3.31Å; Y180-T188 WeakPolarHBondContact CD1-O 3.08Å; Y180-T188 HydrophobicContact CE1-CG2 4.31Å; Y180-T188 HydrophobicContact CE2-CG2 4.02Å; Y180-T188 PolarHBondContact N-O 3.21Å; Y180-T188 PolarHBondContact O-N 3.04Å; Y180-T188 WeakPolarHBondContact OH-CG2 3.24Å; Y180-N190 PolarHBondContact OH-OD1 2.89Å
181	Q	89	Confident	94.3	Very high	44 Å²	44	28.4 Å²	28.4	21%	0.206	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.3	168.6	-71.7	-174	-51.1	0	0	110.7	G185 T186 F187	Q181-G185 PolarHBondContact NE2-O 3.05Å; Q181-T186 WeakPolarHBondContact CA-O 3.46Å; Q181-F187 HydrophobicContact CG-CD1 3.96Å; Q181-F187 HydrophobicContact CG-CE1 3.92Å; Q181-F187 HydrophobicContact CG-CG 4.48Å; Q181-F187 HydrophobicContact CG-CZ 4.41Å
182	D	86.8	Confident	94.3	Very high	48 Å²	48	28.5 Å²	28.5	26%	0.257	15%	0.15	S	C	.	.			trans	-77.3	-176.5	167.2	74	4.7	0	0	0	111.5	Y184 G185 T186	D182-Y184 PolarHBondContact O-N 2.93Å; D182-Y184 WeakPolarHBondContact OD1-CA 3.28Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.45Å; D182-Y184 PolarHBondContact OD1-N 3.3Å; D182-G185 PolarHBondContact O-N 3.28Å; D182-G185 PolarHBondContact OD1-N 2.93Å; D182-G185 VanDerWaalsContact OD1-N 3.14Å; D182-T186 PolarHBondContact N-O 3.08Å; D182-T186 VanDerWaalsContact N-O 3.14Å; D182-T186 WeakPolarHBondContact OD1-CB 3.17Å; D182-T186 PolarHBondContact OD1-N 3.49Å; D182-T186 PolarHBondContact OD1-OG1 2.88Å; D182-T186 WeakPolarHBondContact OD2-CB 3.37Å; D182-T186 PolarHBondContact OD2-OG1 3.47Å
183	S	85.9	Confident	94.3	Very high	109 Å²	109	31 Å²	31	76%	0.762	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.6	179.9	-51.8	0	0	0	0	114.7
184	Y	86.2	Confident	94.3	Very high	182 Å²	182	31 Å²	31	71%	0.714	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	1.8	179.7	-57.8	-74.3	0	0	0	112.7	H113 D182	H113-Y184 PolarHBondContact CD2-O 2.81Å; D182-Y184 PolarHBondContact O-N 2.93Å; D182-Y184 WeakPolarHBondContact OD1-CA 3.28Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.45Å; D182-Y184 PolarHBondContact OD1-N 3.3Å
185	G	85.1	Confident	94.3	Very high	23 Å²	23	34.7 Å²	34.7	24%	0.237	18%	0.184	C	C	.	.			trans	83.6	9.3	-176.1	0	0	0	0	0	114	Q181 D182 F187	Q181-G185 PolarHBondContact NE2-O 3.05Å; D182-G185 PolarHBondContact O-N 3.28Å; D182-G185 PolarHBondContact OD1-N 2.93Å; D182-G185 VanDerWaalsContact OD1-N 3.14Å; G185-F187 PolarHBondContact O-N 2.84Å
186	T	89.5	Confident	94.3	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.16	19%	0.185	C	C	.	.			trans	-73.3	121.1	179.2	-53	0	0	0	0	110.5	F118 Q181 D182 T188	F118-T186 HydrophobicContact CE1-CG2 3.72Å; F118-T186 HydrophobicContact CE2-CG2 4.42Å; F118-T186 HydrophobicContact CZ-CG2 3.39Å; Q181-T186 WeakPolarHBondContact CA-O 3.46Å; D182-T186 PolarHBondContact N-O 3.08Å; D182-T186 VanDerWaalsContact N-O 3.14Å; D182-T186 WeakPolarHBondContact OD1-CB 3.17Å; D182-T186 PolarHBondContact OD1-N 3.49Å; D182-T186 PolarHBondContact OD1-OG1 2.88Å; D182-T186 WeakPolarHBondContact OD2-CB 3.37Å; D182-T186 PolarHBondContact OD2-OG1 3.47Å; T186-T188 PolarHBondContact O-N 3.14Å; T186-T188 VanDerWaalsContact O-N 3.14Å; T186-T188 PolarHBondContact O-OG1 3.45Å
187	F	93.3	Very high	94.3	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.044	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	114.6	172.1	-66.5	-80	0	0	0	110.2	H71 L72 P74 I105 F106 Y109 V179 Y180 Q181 G185	H71-F187 VanDerWaalsContact CA-O 3.3Å; H71-F187 WeakPolarHBondContact CA-O 3.47Å; L72-F187 HydrophobicContact CB-CB 4.13Å; L72-F187 PolarHBondContact N-O 3.18Å; P74-F187 HydrophobicContact CG-CD2 3.72Å; P74-F187 HydrophobicContact CG-CE2 3.51Å; P74-F187 HydrophobicContact CG-CZ 4.43Å; I105-F187 WeakPolarHBondContact O-CE1 3.36Å; F106-F187 HydrophobicContact CB-CZ 4.43Å; F106-F187 AromaticContact CD1-CD1 3.86Å; F106-F187 HydrophobicContact CD1-CD1 3.86Å; F106-F187 AromaticContact CD1-CD2 3.99Å; F106-F187 HydrophobicContact CD1-CD2 3.99Å; F106-F187 AromaticContact CD1-CE1 3.75Å; F106-F187 HydrophobicContact CD1-CE1 3.75Å; F106-F187 AromaticContact CD1-CE2 3.89Å; F106-F187 HydrophobicContact CD1-CE2 3.89Å; F106-F187 AromaticContact CD1-CG 3.98Å; F106-F187 HydrophobicContact CD1-CG 3.98Å; F106-F187 AromaticContact CD1-CZ 3.76Å; F106-F187 HydrophobicContact CD1-CZ 3.76Å; F106-F187 HydrophobicContact CE1-CB 4.39Å; F106-F187 HydrophobicContact CE1-CD1 4.1Å; F106-F187 HydrophobicContact CE1-CD2 4.18Å; F106-F187 HydrophobicContact CE1-CE1 4.45Å; F106-F187 AromaticContact CE1-CG 3.96Å; F106-F187 HydrophobicContact CE1-CG 3.96Å; Y109-F187 AromaticContact CD2-CE1 3.52Å; Y109-F187 HydrophobicContact CD2-CE1 3.52Å; Y109-F187 AromaticContact CD2-CZ 3.61Å; Y109-F187 HydrophobicContact CD2-CZ 3.61Å; Y109-F187 AromaticContact CE2-CE1 3.79Å; Y109-F187 HydrophobicContact CE2-CE1 3.79Å; Y109-F187 HydrophobicContact CE2-CZ 4.35Å; Y109-F187 HydrophobicContact CG-CE1 4.37Å; Y109-F187 HydrophobicContact CG-CZ 4.15Å; V179-F187 HydrophobicContact CG1-CB 4.4Å; V179-F187 HydrophobicContact CG1-CD1 4.13Å; Y180-F187 WeakPolarHBondContact O-CA 3.31Å; Q181-F187 HydrophobicContact CG-CD1 3.96Å; Q181-F187 HydrophobicContact CG-CE1 3.92Å; Q181-F187 HydrophobicContact CG-CG 4.48Å; Q181-F187 HydrophobicContact CG-CZ 4.41Å; G185-F187 PolarHBondContact O-N 2.84Å
188	T	94.5	Very high	94.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.8	-170.7	-56.9	0	0	0	0	109.9	L69 L70 V179 Y180 T186	L69-T188 HydrophobicContact CB-CG2 4.15Å; L69-T188 HydrophobicContact CD1-CG2 4.43Å; L69-T188 HydrophobicContact CD2-CG2 4.01Å; L69-T188 HydrophobicContact CG-CG2 4.42Å; L70-T188 WeakPolarHBondContact O-CA 3.42Å; V179-T188 WeakPolarHBondContact CA-O 3.35Å; Y180-T188 WeakPolarHBondContact CD1-O 3.08Å; Y180-T188 HydrophobicContact CE1-CG2 4.31Å; Y180-T188 HydrophobicContact CE2-CG2 4.02Å; Y180-T188 PolarHBondContact N-O 3.21Å; Y180-T188 PolarHBondContact O-N 3.04Å; Y180-T188 WeakPolarHBondContact OH-CG2 3.24Å; T186-T188 PolarHBondContact O-N 3.14Å; T186-T188 VanDerWaalsContact O-N 3.14Å; T186-T188 PolarHBondContact O-OG1 3.45Å
189	I	97.2	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.5	172.7	-166.2	170	0	0	0	109.3	L70 L72 V124 V153 F175 L178 V179	L70-I189 HydrophobicContact CB-CG2 3.94Å; L70-I189 PolarHBondContact N-O 2.68Å; L70-I189 PolarHBondContact O-N 2.86Å; L72-I189 HydrophobicContact CD1-CB 3.92Å; L72-I189 HydrophobicContact CD1-CG2 3.59Å; V124-I189 HydrophobicContact CG2-CG2 4.26Å; V153-I189 HydrophobicContact CB-CD1 4.45Å; V153-I189 HydrophobicContact CG1-CD1 3.61Å; V153-I189 HydrophobicContact CG1-CG1 3.89Å; V153-I189 HydrophobicContact CG1-CG2 3.93Å; V153-I189 HydrophobicContact CG2-CD1 4Å; F175-I189 HydrophobicContact CD2-CD1 4.2Å; F175-I189 HydrophobicContact CE2-CD1 3.8Å; F175-I189 HydrophobicContact CZ-CD1 4.16Å; L178-I189 HydrophobicContact CB-CD1 3.66Å; L178-I189 HydrophobicContact CB-CG1 3.86Å; L178-I189 HydrophobicContact CD1-CD1 4.33Å; V179-I189 HydrophobicContact CG2-CB 4.5Å; V179-I189 HydrophobicContact CG2-CD1 3.97Å
190	N	97.3	Very high	94.5	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.134	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.5	174.8	-75	63.5	0	0	0	110.7	T66 N68 L69 Y180 S192	T66-N190 PolarHBondContact O-ND2 3.34Å; N68-N190 WeakPolarHBondContact O-CA 3.45Å; L69-N190 WeakPolarHBondContact CD2-OD1 3.45Å; Y180-N190 PolarHBondContact OH-OD1 2.89Å; N190-S192 PolarHBondContact O-N 3.46Å; N190-S192 PolarHBondContact O-OG 3.47Å
191	E	98.2	Very high	94.8	Very high	65 Å²	65	41 Å²	41	30%	0.304	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	124.6	167.5	-177	-171.9	-169.9	0	0	108.5	T66 N68 L70 V153	T66-E191 PolarHBondContact N-O 2.68Å; T66-E191 WeakPolarHBondContact OG1-CB 2.83Å; T66-E191 PolarHBondContact OG1-O 3.4Å; N68-E191 HydrophobicContact CB-CB 4.01Å; N68-E191 PolarHBondContact ND2-OE2 2.88Å; N68-E191 PolarHBondContact O-N 2.67Å; L70-E191 HydrophobicContact CD1-CB 4.14Å; L70-E191 HydrophobicContact CG-CB 4.42Å; V153-E191 WeakPolarHBondContact O-CA 3.41Å; V153-E191 WeakPolarHBondContact O-CG 3.34Å
192	S	98.6	Very high	95.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.1	-167.6	55.8	0	0	0	0	112.9	K64 V153 N190	K64-S192 CarbonylContact O-C 3.58Å; K64-S192 WeakPolarHBondContact O-CA 3.22Å; K64-S192 WeakPolarHBondContact O-CB 3.2Å; V153-S192 PolarHBondContact N-O 2.97Å; V153-S192 PolarHBondContact O-N 3.37Å; N190-S192 PolarHBondContact O-N 3.46Å; N190-S192 PolarHBondContact O-OG 3.47Å
193	T	98.8	Very high	95.9	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.2	169.8	-58.8	0	0	0	0	109	K64 L151 L152	K64-T193 PolarHBondContact N-O 2.95Å; K64-T193 PolarHBondContact O-N 3.42Å; L151-T193 CarbonylContact O-C 3.58Å; L151-T193 WeakPolarHBondContact O-CA 3.31Å; L152-T193 WeakPolarHBondContact CD1-OG1 3.34Å
194	I	98.9	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.4	175.1	-61.4	-177.8	0	0	0	109.2	L56 P60 L62 V63 Y149 T150 L151 T174 L178 D196	L56-I194 HydrophobicContact CD1-CD1 4.37Å; P60-I194 HydrophobicContact CB-CG2 3.55Å; P60-I194 HydrophobicContact CG-CD1 4.38Å; P60-I194 HydrophobicContact CG-CG2 3.96Å; L62-I194 VanDerWaalsContact O-CA 3.32Å; L62-I194 WeakPolarHBondContact O-CA 3.33Å; V63-I194 HydrophobicContact CG1-CG1 4.31Å; V63-I194 HydrophobicContact CG2-CD1 4.43Å; V63-I194 HydrophobicContact CG2-CG1 4.33Å; Y149-I194 HydrophobicContact CE2-CG2 4.4Å; T150-I194 CarbonylContact C-O 3.52Å; T150-I194 VanDerWaalsContact CA-O 3.28Å; T150-I194 WeakPolarHBondContact CA-O 3.42Å; L151-I194 HydrophobicContact CB-CB 4.19Å; L151-I194 PolarHBondContact N-O 3.35Å; L151-I194 PolarHBondContact O-N 2.91Å; T174-I194 HydrophobicContact CG2-CD1 3.67Å; T174-I194 HydrophobicContact CG2-CG2 4.47Å; L178-I194 HydrophobicContact CD1-CD1 3.78Å; L178-I194 HydrophobicContact CD2-CD1 4.19Å; L178-I194 HydrophobicContact CG-CD1 4.33Å; I194-D196 HydrophobicContact CG2-CB 4.15Å
195	I	98.9	Very high	97.1	Very high	78 Å²	78	22.8 Å²	22.8	40%	0.4	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.1	169.1	-56.5	-179.5	0	0	0	105.9	L62 T150	L62-I195 HydrophobicContact CB-CB 4.26Å; L62-I195 HydrophobicContact CD2-CB 4.39Å; L62-I195 HydrophobicContact CD2-CD1 4.01Å; L62-I195 HydrophobicContact CD2-CG1 4.29Å; L62-I195 PolarHBondContact N-O 2.91Å; L62-I195 PolarHBondContact O-N 2.81Å; L62-I195 VanDerWaalsContact O-N 3.08Å; T150-I195 HydrophobicContact CG2-CB 4.34Å; T150-I195 HydrophobicContact CG2-CG1 3.97Å; T150-I195 HydrophobicContact CG2-CG2 4.12Å
196	D	98.9	Very high	97.8	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.1	-170.1	-161.7	21.5	0	0	0	112.6	P60 L61 S148 Y149 I194 W514	P60-D196 VanDerWaalsContact CA-OD1 3.28Å; P60-D196 WeakPolarHBondContact CA-OD1 3.29Å; P60-D196 HydrophobicContact CB-CB 3.95Å; L61-D196 PolarHBondContact N-OD1 3.03Å; S148-D196 WeakPolarHBondContact CA-O 3.38Å; Y149-D196 HydrophobicContact CD1-CB 4.27Å; Y149-D196 HydrophobicContact CE1-CB 3.57Å; Y149-D196 WeakPolarHBondContact CE1-OD2 3.4Å; Y149-D196 HydrophobicContact CE2-CB 4.05Å; Y149-D196 VanDerWaalsContact CZ-CB 3.42Å; Y149-D196 PolarHBondContact N-O 2.88Å; Y149-D196 PolarHBondContact O-N 3.3Å; Y149-D196 WeakPolarHBondContact OH-CB 3.1Å; Y149-D196 PolarHBondContact OH-OD2 2.94Å; I194-D196 HydrophobicContact CG2-CB 4.15Å; D196-W514 PolarHBondContact OD1-NE1 3.12Å; D196-W514 WeakPolarHBondContact OD2-CZ2 3.46Å; D196-W514 PolarHBondContact OD2-NE1 2.81Å; D196-W514 VanDerWaalsContact OD2-NE1 3.07Å
197	S	98.9	Very high	98.2	Very high	45 Å²	45	20.5 Å²	20.5	32%	0.315	11%	0.112	S	C	.	.			trans	-161.6	149.8	173.4	62.9	0	0	0	0	108.8
198	P	98.9	Very high	98.5	Very high	30 Å²	30	20.2 Å²	20.2	20%	0.195	11%	0.111	C	C	.	.			trans	-68.3	144.2	-179.2	29.2	-35.3	0	0	0	111.9	E147 F200 R203 W514	E147-P198 HydrophobicContact CB-CG 3.98Å; P198-F200 WeakPolarHBondContact CB-O 3.34Å; P198-R203 VanDerWaalsContact CB-NH1 3.33Å; P198-W514 HydrophobicContact CB-CD2 4.12Å; P198-W514 HydrophobicContact CB-CE3 3.72Å; P198-W514 HydrophobicContact CB-CH2 4.24Å; P198-W514 HydrophobicContact CB-CZ3 3.8Å; P198-W514 HydrophobicContact CG-CH2 4.39Å; P198-W514 HydrophobicContact CG-CZ3 4.21Å
199	R	98.8	Very high	98.7	Very high	57 Å²	57	20 Å²	20	22%	0.215	11%	0.11	C	C	.	.	S	Bend	trans	-64.8	-41.7	168.7	-179.8	-177.5	176	-170.6	0.2	112.1	E467 W514 S515	R199-E467 IonicContact CZ-OE1 2.67Å; R199-E467 IonicContact CZ-OE2 3.27Å; R199-E467 IonicContact NH1-OE1 3.87Å; R199-E467 IonicContact NH1-OE2 3.62Å; R199-E467 PolarHBondContact NH1-OE2 3.21Å; R199-E467 IonicContact NH2-OE1 3.7Å; R199-E467 PolarHBondContact NH2-OE1 3Å; R199-E467 IonicContact NH2-OE2 2.83Å; R199-E467 PolarHBondContact NH2-OE2 3.47Å; R199-W514 WeakPolarHBondContact CB-O 3.28Å; R199-W514 PolarHBondContact N-O 3.49Å; R199-S515 WeakPolarHBondContact CB-O 3.41Å; R199-S515 VanDerWaalsContact CD-O 3.23Å; R199-S515 WeakPolarHBondContact CD-O 3.44Å
200	F	98.9	Very high	98.8	Very high	17 Å²	17	20 Å²	20	8%	0.075	11%	0.11	C	C	.	.			trans	-129.6	144.5	179.1	-59.1	-66.3	0	0	0	111.5	P198 R203 P468 L469 F481 L513	P198-F200 WeakPolarHBondContact CB-O 3.34Å; F200-R203 WeakPolarHBondContact O-CD 3.35Å; F200-R203 PolarHBondContact O-NH1 2.87Å; F200-P468 HydrophobicContact CE2-CG 4.4Å; F200-L469 HydrophobicContact CE1-CD1 4.19Å; F200-L469 HydrophobicContact CE1-CD2 4.09Å; F200-L469 HydrophobicContact CE1-CG 4.27Å; F200-L469 HydrophobicContact CZ-CD1 4.01Å; F200-L469 HydrophobicContact CZ-CD2 4.09Å; F200-L469 HydrophobicContact CZ-CG 3.88Å; F200-F481 AromaticContact CD1-CD1 3.72Å; F200-F481 HydrophobicContact CD1-CD1 3.72Å; F200-F481 AromaticContact CD1-CE1 3.9Å; F200-F481 HydrophobicContact CD1-CE1 3.9Å; F200-F481 HydrophobicContact CD2-CE1 4.27Å; F200-F481 AromaticContact CE1-CD1 3.38Å; F200-F481 HydrophobicContact CE1-CD1 3.38Å; F200-F481 AromaticContact CE1-CE1 3.68Å; F200-F481 HydrophobicContact CE1-CE1 3.68Å; F200-F481 HydrophobicContact CE2-CE1 4.04Å; F200-F481 HydrophobicContact CG-CD1 4.45Å; F200-F481 HydrophobicContact CG-CE1 4.19Å; F200-F481 AromaticContact CZ-CD1 3.83Å; F200-F481 HydrophobicContact CZ-CD1 3.83Å; F200-F481 AromaticContact CZ-CE1 3.73Å; F200-F481 HydrophobicContact CZ-CE1 3.73Å; F200-L513 HydrophobicContact CD2-CD2 3.93Å; F200-L513 HydrophobicContact CE2-CD2 4.47Å; F200-L513 PolarHBondContact N-O 3.28Å; F200-L513 VanDerWaalsContact N-O 3.16Å
201	S	98.8	Very high	98.8	Very high	39 Å²	39	19.7 Å²	19.7	27%	0.273	11%	0.107	S	C	.	.	S	Bend	trans	-87.7	-21.8	-174.3	59.5	0	0	0	0	113.9	I143 N232 I482	I143-S201 VanDerWaalsContact O-CB 3.27Å; I143-S201 WeakPolarHBondContact O-CB 3.42Å; I143-S201 PolarHBondContact O-OG 2.76Å; S201-N232 PolarHBondContact O-ND2 2.83Å; S201-N232 PolarHBondContact O-OD1 2.94Å; S201-I482 PolarHBondContact N-O 3.44Å
202	H	98.9	Very high	98.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.8	174.6	-164.2	96.4	0	0	0	110.9	I143 R284 I444 I482 G483 G484 E485	I143-H202 HydrophobicContact CD1-CB 3.78Å; H202-R284 PolarHBondContact ND1-NH1 3.43Å; H202-I444 HydrophobicContact CB-CG1 4.5Å; H202-I444 VanDerWaalsContact CE1-CD1 3.5Å; H202-I444 WeakPolarHBondContact CE1-CD1 3.4Å; H202-I444 WeakPolarHBondContact NE2-CD1 3.35Å; H202-I482 HydrophobicContact CB-CD1 4.34Å; H202-I482 HydrophobicContact CB-CG1 4.26Å; H202-I482 PolarHBondContact N-O 2.99Å; H202-G483 CarbonylContact O-C 3.27Å; H202-G483 VanDerWaalsContact O-CA 3.26Å; H202-G483 WeakPolarHBondContact O-CA 3.32Å; H202-G484 PolarHBondContact O-N 3.16Å; H202-E485 IonicContact CD2-OE1 2.76Å; H202-E485 IonicContact CE1-OE1 2.73Å; H202-E485 IonicContact NE2-OE1 2.92Å; H202-E485 PolarHBondContact NE2-OE1 3.26Å
203	R	98.9	Very high	98.9	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	92.1	-178.4	-52.3	-175.6	-60.4	-71.7	-7.5	108.7	E147 P198 F200 K230 F231 N232 V233 L513	E147-R203 IonicContact OE1-CZ 3.63Å; E147-R203 IonicContact OE1-NH2 2.83Å; E147-R203 PolarHBondContact OE1-NH2 3.4Å; E147-R203 IonicContact OE2-CZ 3.36Å; E147-R203 VanDerWaalsContact OE2-CZ 3.31Å; E147-R203 IonicContact OE2-NH1 3.95Å; E147-R203 PolarHBondContact OE2-NH1 3.42Å; E147-R203 IonicContact OE2-NH2 3.32Å; E147-R203 PolarHBondContact OE2-NH2 3.49Å; P198-R203 VanDerWaalsContact CB-NH1 3.33Å; F200-R203 WeakPolarHBondContact O-CD 3.35Å; F200-R203 PolarHBondContact O-NH1 2.87Å; R203-K230 PolarHBondContact NE-O 3.37Å; R203-K230 PolarHBondContact NH2-O 2.99Å; R203-F231 HydrophobicContact CB-CD1 4.18Å; R203-F231 WeakPolarHBondContact O-CD1 3.29Å; R203-N232 WeakPolarHBondContact CB-OD1 3.16Å; R203-N232 PolarHBondContact N-OD1 3.08Å; R203-N232 PolarHBondContact NH1-ND2 3.11Å; R203-N232 PolarHBondContact NH2-ND2 2.86Å; R203-N232 PolarHBondContact O-N 3.32Å; R203-N232 PolarHBondContact O-OD1 2.92Å; R203-V233 PolarHBondContact O-N 3.33Å; R203-L513 HydrophobicContact CB-CB 4.47Å; R203-L513 HydrophobicContact CB-CD1 4.29Å; R203-L513 HydrophobicContact CG-CB 3.85Å; R203-L513 HydrophobicContact CG-CD1 4.37Å
204	G	98.9	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.8	-168.2	0	0	0	0	0	115.4	F231 V233 G484 E485 A486	G204-F231 WeakPolarHBondContact O-CD1 3.33Å; G204-F231 VanDerWaalsContact O-CE1 3.22Å; G204-F231 WeakPolarHBondContact O-CE1 3.43Å; G204-V233 CarbonylContact C-O 3.49Å; G204-V233 VanDerWaalsContact CA-O 3.25Å; G204-V233 WeakPolarHBondContact CA-O 3.49Å; G204-G484 PolarHBondContact N-O 3.4Å; G204-E485 VanDerWaalsContact O-CA 3.28Å; G204-E485 WeakPolarHBondContact O-CA 3.41Å; G204-A486 PolarHBondContact O-N 3.11Å
205	I	98.9	Very high	98.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.1	156.7	-63.9	-60.6	0	0	0	107	I207 M226 F231 V233 H235 A486 L502 W503 A506	I205-I207 HydrophobicContact CG2-CG2 4.03Å; I205-M226 HydrophobicContact CB-CE 4.2Å; I205-M226 HydrophobicContact CB-CG 4.42Å; I205-M226 HydrophobicContact CB-SD 4.1Å; I205-M226 HydrophobicContact CG1-CE 4.24Å; I205-M226 HydrophobicContact CG1-CG 3.82Å; I205-M226 HydrophobicContact CG1-SD 4.15Å; I205-F231 HydrophobicContact CD1-CD1 3.83Å; I205-F231 HydrophobicContact CD1-CD2 4.4Å; I205-F231 HydrophobicContact CD1-CE1 3.53Å; I205-F231 HydrophobicContact CD1-CE2 4.1Å; I205-F231 HydrophobicContact CD1-CG 4.28Å; I205-F231 HydrophobicContact CD1-CZ 3.66Å; I205-F231 HydrophobicContact CG1-CD1 3.76Å; I205-F231 HydrophobicContact CG1-CD2 4.45Å; I205-F231 HydrophobicContact CG1-CE1 4.02Å; I205-F231 HydrophobicContact CG1-CG 4.02Å; I205-F231 HydrophobicContact CG1-CZ 4.43Å; I205-V233 PolarHBondContact N-O 2.87Å; I205-H235 PolarHBondContact O-N 3.43Å; I205-A486 WeakPolarHBondContact CA-O 3.17Å; I205-A486 HydrophobicContact CD1-CB 3.88Å; I205-L502 HydrophobicContact CD1-CD1 4.43Å; I205-L502 HydrophobicContact CG2-CD1 4.3Å; I205-L502 HydrophobicContact CG2-CD2 4.04Å; I205-W503 HydrophobicContact CD1-CH2 4.31Å; I205-W503 HydrophobicContact CG1-CH2 4.42Å; I205-A506 HydrophobicContact CD1-CB 3.82Å
206	L	98.9	Very high	98.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.7	168.1	-176.5	160	0	0	0	109.6	H235 H237 W405 A486 C487 L488 W489	L206-H235 VanDerWaalsContact CA-O 3.29Å; L206-H235 WeakPolarHBondContact CA-O 3.46Å; L206-H235 HydrophobicContact CB-CB 4.07Å; L206-H235 HydrophobicContact CG-CB 4.47Å; L206-H237 HydrophobicContact CD2-CB 4.15Å; L206-H237 HydrophobicContact CG-CB 4.26Å; L206-W405 HydrophobicContact CD1-CH2 4.08Å; L206-W405 HydrophobicContact CD1-CZ2 3.95Å; L206-A486 PolarHBondContact N-O 3.37Å; L206-C487 HydrophobicContact CB-CB 4.12Å; L206-L488 PolarHBondContact O-N 2.97Å; L206-W489 HydrophobicContact CD1-CH2 3.82Å; L206-W489 HydrophobicContact CD1-CZ2 3.88Å; L206-W489 HydrophobicContact CD1-CZ3 4.27Å; L206-W489 HydrophobicContact CD2-CD2 4.05Å; L206-W489 HydrophobicContact CD2-CE3 3.91Å; L206-W489 HydrophobicContact CD2-CH2 4.4Å; L206-W489 HydrophobicContact CD2-CZ3 4.1Å
207	I	98.9	Very high	98.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.8	166	65.1	172.5	0	0	0	109.7	I205 T209 L214 I219 T222 L234 H235 H237	I205-I207 HydrophobicContact CG2-CG2 4.03Å; I207-T209 HydrophobicContact CD1-CG2 4.26Å; I207-T209 HydrophobicContact CG1-CG2 4.48Å; I207-L214 HydrophobicContact CB-CD1 4.28Å; I207-L214 HydrophobicContact CD1-CD1 4.26Å; I207-I219 HydrophobicContact CD1-CD1 4.45Å; I207-I219 HydrophobicContact CD1-CG1 3.95Å; I207-I219 HydrophobicContact CD1-CG2 4.05Å; I207-T222 HydrophobicContact CG2-CG2 4.42Å; I207-L234 HydrophobicContact CD1-CD1 3.82Å; I207-L234 HydrophobicContact CD1-CD2 4.39Å; I207-L234 HydrophobicContact CG1-CD1 3.84Å; I207-L234 HydrophobicContact CG2-CD1 4.24Å; I207-H235 PolarHBondContact N-O 3.38Å; I207-H237 WeakPolarHBondContact O-CB 3.26Å; I207-H237 PolarHBondContact O-N 3.18Å
208	D	98.9	Very high	98.8	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121	175.6	174.7	-10.7	0	0	0	109.4	S210 R211 W489 G490	D208-S210 PolarHBondContact OD1-N 3.33Å; D208-R211 PolarHBondContact OD1-N 2.92Å; D208-R211 WeakPolarHBondContact OD2-CB 3.38Å; D208-R211 WeakPolarHBondContact OD2-CD 3.19Å; D208-R211 VanDerWaalsContact OD2-CG 3.27Å; D208-R211 WeakPolarHBondContact OD2-CG 3.24Å; D208-R211 IonicContact OD2-CZ 4Å; D208-R211 IonicContact OD2-NE 3.09Å; D208-R211 IonicContact OD2-NH1 3.85Å; D208-R211 PolarHBondContact OD2-NH1 3.49Å; D208-W489 HydrophobicContact CB-CE3 4.36Å; D208-G490 VanDerWaalsContact OD2-CA 3.31Å; D208-G490 WeakPolarHBondContact OD2-CA 3.36Å; D208-G490 PolarHBondContact OD2-N 3.3Å
209	T	98.9	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-111.9	8.2	178.5	63.1	0	0	0	0	114.4	I207 H212 L214 I219 W236 H237 I238 Y266	I207-T209 HydrophobicContact CD1-CG2 4.26Å; I207-T209 HydrophobicContact CG1-CG2 4.48Å; T209-H212 CarbonylContact C-O 3.43Å; T209-H212 VanDerWaalsContact CA-O 3.27Å; T209-H212 WeakPolarHBondContact CA-O 3.43Å; T209-L214 HydrophobicContact CG2-CB 3.88Å; T209-L214 HydrophobicContact CG2-CD1 3.81Å; T209-L214 HydrophobicContact CG2-CG 3.87Å; T209-I219 HydrophobicContact CG2-CD1 4.38Å; T209-W236 PolarHBondContact OG1-NE1 3.25Å; T209-H237 PolarHBondContact N-O 3.48Å; T209-I238 WeakPolarHBondContact OG1-CA 3.45Å; T209-I238 PolarHBondContact OG1-O 3.48Å; T209-Y266 WeakPolarHBondContact CB-OH 3.44Å; T209-Y266 HydrophobicContact CG2-CE2 4.24Å; T209-Y266 WeakPolarHBondContact CG2-OH 3.4Å; T209-Y266 WeakPolarHBondContact OG1-CE2 3.46Å
210	S	98.9	Very high	98.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-95.8	-49.7	177.9	176.5	0	0	0	0	111.5	D208 H212 D240 S243 Y260	D208-S210 PolarHBondContact OD1-N 3.33Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 3.48Å; S210-D240 VanDerWaalsContact CB-CB 3.4Å; S210-D240 WeakPolarHBondContact OG-CA 3.47Å; S210-D240 WeakPolarHBondContact OG-CB 3.2Å; S210-D240 PolarHBondContact OG-N 3.12Å; S210-S243 WeakPolarHBondContact CA-OG 3.25Å; S210-S243 PolarHBondContact O-OG 2.92Å; S210-S243 PolarHBondContact OG-N 2.79Å; S210-S243 PolarHBondContact OG-O 3.34Å; S210-Y260 VanDerWaalsContact O-CE2 3.23Å; S210-Y260 WeakPolarHBondContact O-CE2 3.4Å; S210-Y260 PolarHBondContact O-OH 2.97Å
211	R	98.6	Very high	98.8	Very high	18 Å²	18	26.4 Å²	26.4	7%	0.068	13%	0.128	C	C	.	.	S	Bend	trans	-62.3	-41.1	-178.2	-80.3	52.7	172.7	-76.1	5.4	109.8	D208 D240 Y260 H294 E491	D208-R211 PolarHBondContact OD1-N 2.92Å; D208-R211 WeakPolarHBondContact OD2-CB 3.38Å; D208-R211 WeakPolarHBondContact OD2-CD 3.19Å; D208-R211 VanDerWaalsContact OD2-CG 3.27Å; D208-R211 WeakPolarHBondContact OD2-CG 3.24Å; D208-R211 IonicContact OD2-CZ 4Å; D208-R211 IonicContact OD2-NE 3.09Å; D208-R211 IonicContact OD2-NH1 3.85Å; D208-R211 PolarHBondContact OD2-NH1 3.49Å; R211-D240 IonicContact CZ-OD1 2.81Å; R211-D240 IonicContact CZ-OD2 3.73Å; R211-D240 IonicContact NE-OD1 3.16Å; R211-D240 PolarHBondContact NE-OD1 3.35Å; R211-D240 IonicContact NE-OD2 3.66Å; R211-D240 PolarHBondContact NE-OD2 2.75Å; R211-D240 IonicContact NH1-OD2 3.59Å; R211-D240 IonicContact NH2-OD1 3.32Å; R211-D240 PolarHBondContact NH2-OD1 3.04Å; R211-D240 VanDerWaalsContact NH2-OD1 3.12Å; R211-D240 IonicContact NH2-OD2 2.67Å; R211-D240 PolarHBondContact NH2-OD2 2.84Å; R211-Y260 PolarHBondContact O-OH 3.39Å; R211-H294 PolarHBondContact NH2-ND1 3.39Å; R211-E491 HydrophobicContact CG-CG 4.03Å; R211-E491 IonicContact CZ-OE1 3.79Å; R211-E491 IonicContact NH1-OE1 2.59Å; R211-E491 PolarHBondContact NH1-OE1 2.93Å; R211-E491 IonicContact NH1-OE2 3Å; R211-E491 IonicContact NH2-OE1 3.54Å
212	H	98.9	Very high	98.9	Very high	70 Å²	70	24.7 Å²	24.7	32%	0.324	12%	0.116	S	C	.	.	S	Bend	trans	-134.3	140.9	159.4	-65.7	88.3	0	0	0	110.6	T209 S210 G490 E491 V493 D494	T209-H212 CarbonylContact C-O 3.43Å; T209-H212 VanDerWaalsContact CA-O 3.27Å; T209-H212 WeakPolarHBondContact CA-O 3.43Å; S210-H212 VanDerWaalsContact C-N 3.27Å; S210-H212 PolarHBondContact O-N 3.48Å; H212-G490 PolarHBondContact CE1-O 2.96Å; H212-G490 PolarHBondContact ND1-O 2.98Å; H212-E491 PolarHBondContact CE1-O 2.92Å; H212-V493 WeakPolarHBondContact CB-O 3.47Å; H212-V493 PolarHBondContact ND1-O 3.3Å; H212-D494 HydrophobicContact CB-CB 3.82Å
213	Y	98.9	Very high	98.9	Very high	39 Å²	39	24.7 Å²	24.7	15%	0.153	12%	0.116	C	C	.	.			trans	-67.9	133.7	172.2	172.7	-93.4	0	0	0	110.8	P215 P245 H264 V265 Y266	Y213-P215 HydrophobicContact CD1-CG 4.39Å; Y213-P215 HydrophobicContact CE1-CB 4.27Å; Y213-P215 HydrophobicContact CE1-CG 4.12Å; Y213-P245 HydrophobicContact CD2-CB 4.18Å; Y213-H264 HydrophobicContact CD1-CB 4.34Å; Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 HydrophobicContact CD2-CB 3.96Å; Y213-H264 HydrophobicContact CG-CB 3.83Å; Y213-H264 AromaticContact CG-CD2 3.8Å; Y213-V265 PolarHBondContact OH-O 3.4Å; Y213-Y266 HydrophobicContact CD2-CE1 4.2Å; Y213-Y266 HydrophobicContact CD2-CE2 4.19Å; Y213-Y266 AromaticContact CD2-CZ 3.8Å; Y213-Y266 AromaticContact CE2-CD1 3.92Å; Y213-Y266 HydrophobicContact CE2-CD1 3.92Å; Y213-Y266 HydrophobicContact CE2-CD2 4.49Å; Y213-Y266 AromaticContact CE2-CE1 3.42Å; Y213-Y266 HydrophobicContact CE2-CE1 3.42Å; Y213-Y266 VanDerWaalsContact CE2-CE1 3.42Å; Y213-Y266 HydrophobicContact CE2-CE2 4.06Å; Y213-Y266 HydrophobicContact CE2-CG 4.42Å; Y213-Y266 AromaticContact CE2-CZ 3.5Å; Y213-Y266 VanDerWaalsContact CE2-CZ 3.5Å; Y213-Y266 AromaticContact CZ-CE1 3.85Å
214	L	98.9	Very high	98.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.12	C	C	.	.			trans	-105.9	114.6	175.4	-62.3	-173.9	0	0	0	110	I207 T209 V216 I218 I219 Y266 L498	I207-L214 HydrophobicContact CB-CD1 4.28Å; I207-L214 HydrophobicContact CD1-CD1 4.26Å; T209-L214 HydrophobicContact CG2-CB 3.88Å; T209-L214 HydrophobicContact CG2-CD1 3.81Å; T209-L214 HydrophobicContact CG2-CG 3.87Å; L214-V216 PolarHBondContact O-N 2.94Å; L214-I218 HydrophobicContact CB-CG2 3.73Å; L214-I218 HydrophobicContact CD2-CG2 4.29Å; L214-I218 HydrophobicContact CG-CG2 4.4Å; L214-I219 HydrophobicContact CB-CD1 4.35Å; L214-I219 HydrophobicContact CB-CG1 4.12Å; L214-Y266 PolarHBondContact N-OH 3.33Å; L214-Y266 WeakPolarHBondContact O-CE1 3.35Å; L214-Y266 PolarHBondContact O-OH 2.9Å; L214-L498 HydrophobicContact CD1-CD1 3.31Å; L214-L498 HydrophobicContact CD2-CD1 3.76Å; L214-L498 HydrophobicContact CG-CD1 4.19Å
215	P	98.8	Very high	98.9	Very high	56 Å²	56	25.4 Å²	25.4	36%	0.364	12%	0.12	S	C	.	.			trans	-55.6	138.2	176.3	-24.4	33.6	0	0	0	111.2	Y213 K217 I218	Y213-P215 HydrophobicContact CD1-CG 4.39Å; Y213-P215 HydrophobicContact CE1-CB 4.27Å; Y213-P215 HydrophobicContact CE1-CG 4.12Å; P215-K217 PolarHBondContact O-N 3.24Å; P215-I218 WeakPolarHBondContact O-CG2 3.33Å; P215-I218 PolarHBondContact O-N 2.73Å
216	V	98.9	Very high	98.9	Very high	16 Å²	16	25.4 Å²	25.4	10%	0.097	12%	0.12	C	C	.	.	H	α-helix	trans	-44.5	-42.2	-176	177	0	0	0	0	112.8	L214 I218 I219 L220 Y266 D270 M273 V274	L214-V216 PolarHBondContact O-N 2.94Å; V216-I218 VanDerWaalsContact C-N 3.28Å; V216-I218 PolarHBondContact O-N 3.3Å; V216-I219 WeakPolarHBondContact O-CB 3.41Å; V216-I219 PolarHBondContact O-N 3.33Å; V216-L220 HydrophobicContact CG1-CD1 4.3Å; V216-L220 HydrophobicContact CG1-CD2 4.28Å; V216-L220 HydrophobicContact CG1-CG 4.1Å; V216-L220 WeakPolarHBondContact O-CG 3.27Å; V216-L220 PolarHBondContact O-N 3.29Å; V216-Y266 HydrophobicContact CG2-CD1 4.17Å; V216-Y266 HydrophobicContact CG2-CE1 4.34Å; V216-D270 HydrophobicContact CG2-CB 3.69Å; V216-M273 HydrophobicContact CG1-SD 4.04Å; V216-V274 HydrophobicContact CG1-CG2 4.11Å
217	K	98.7	Very high	98.9	Very high	174 Å²	174	25.7 Å²	25.7	76%	0.757	12%	0.122	S	C	*	.	H	α-helix	trans	-52.7	-39.3	177.4	-70	-175.4	179	178.6	0	113.9	P215 L220 K221	P215-K217 PolarHBondContact O-N 3.24Å; K217-L220 PolarHBondContact O-N 3.23Å; K217-K221 WeakPolarHBondContact O-CG 3.45Å; K217-K221 PolarHBondContact O-N 2.92Å
218	I	98.7	Very high	98.9	Very high	19 Å²	19	25.7 Å²	25.7	10%	0.097	12%	0.122	C	C	.	.	H	α-helix	trans	-74.2	-34	179.3	-153.4	170.8	0	0	0	111.8	L214 P215 V216 L220 K221 T222 A495 L498	L214-I218 HydrophobicContact CB-CG2 3.73Å; L214-I218 HydrophobicContact CD2-CG2 4.29Å; L214-I218 HydrophobicContact CG-CG2 4.4Å; P215-I218 WeakPolarHBondContact O-CG2 3.33Å; P215-I218 PolarHBondContact O-N 2.73Å; V216-I218 VanDerWaalsContact C-N 3.28Å; V216-I218 PolarHBondContact O-N 3.3Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-K221 PolarHBondContact O-N 3.44Å; I218-T222 PolarHBondContact O-N 3Å; I218-T222 PolarHBondContact O-OG1 3.46Å; I218-T222 VanDerWaalsContact O-OG1 3.05Å; I218-A495 HydrophobicContact CD1-CB 3.99Å; I218-L498 HydrophobicContact CD1-CB 4.02Å; I218-L498 HydrophobicContact CD1-CD1 4.42Å; I218-L498 HydrophobicContact CD1-CD2 4.43Å
219	I	98.9	Very high	98.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-44.5	172.2	-58	170	0	0	0	109.6	I207 T209 L214 V216 K221 T222 L223 L234 W236 Y266 V274	I207-I219 HydrophobicContact CD1-CD1 4.45Å; I207-I219 HydrophobicContact CD1-CG1 3.95Å; I207-I219 HydrophobicContact CD1-CG2 4.05Å; T209-I219 HydrophobicContact CG2-CD1 4.38Å; L214-I219 HydrophobicContact CB-CD1 4.35Å; L214-I219 HydrophobicContact CB-CG1 4.12Å; V216-I219 WeakPolarHBondContact O-CB 3.41Å; V216-I219 PolarHBondContact O-N 3.33Å; I219-K221 PolarHBondContact O-N 3.01Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 2.74Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.95Å; I219-L234 HydrophobicContact CG2-CD2 3.95Å; I219-W236 HydrophobicContact CD1-CH2 4.38Å; I219-W236 HydrophobicContact CD1-CZ2 3.8Å; I219-Y266 HydrophobicContact CD1-CE1 3.83Å; I219-V274 HydrophobicContact CB-CG2 4.49Å; I219-V274 HydrophobicContact CG2-CG1 3.78Å; I219-V274 HydrophobicContact CG2-CG2 4.02Å
220	L	98.9	Very high	98.9	Very high	23 Å²	23	25.6 Å²	25.6	12%	0.12	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-42	175.9	-55.7	-168.6	0	0	0	112.2	V216 K217 I218 T222 L223 D224 M273 V274 Y277	V216-L220 HydrophobicContact CG1-CD1 4.3Å; V216-L220 HydrophobicContact CG1-CD2 4.28Å; V216-L220 HydrophobicContact CG1-CG 4.1Å; V216-L220 WeakPolarHBondContact O-CG 3.27Å; V216-L220 PolarHBondContact O-N 3.29Å; K217-L220 PolarHBondContact O-N 3.23Å; I218-L220 VanDerWaalsContact C-N 3.33Å; L220-T222 VanDerWaalsContact C-N 3.32Å; L220-T222 PolarHBondContact O-N 2.88Å; L220-L223 HydrophobicContact CD2-CD1 4.25Å; L220-L223 WeakPolarHBondContact O-CB 3.36Å; L220-L223 PolarHBondContact O-N 3.05Å; L220-D224 PolarHBondContact O-N 3.18Å; L220-M273 HydrophobicContact CD1-CG 4.42Å; L220-M273 HydrophobicContact CD1-SD 4.1Å; L220-V274 HydrophobicContact CD2-CG2 4.19Å; L220-Y277 HydrophobicContact CB-CD1 4.08Å; L220-Y277 HydrophobicContact CB-CE1 3.87Å; L220-Y277 HydrophobicContact CD1-CD2 4.23Å; L220-Y277 HydrophobicContact CD1-CE2 4.35Å; L220-Y277 HydrophobicContact CD1-CG 4.45Å; L220-Y277 HydrophobicContact CD2-CD1 3.88Å; L220-Y277 HydrophobicContact CD2-CD2 4.36Å; L220-Y277 HydrophobicContact CD2-CG 3.77Å; L220-Y277 HydrophobicContact CG-CD1 4.43Å; L220-Y277 HydrophobicContact CG-CG 4.44Å; L220-Y277 WeakPolarHBondContact O-CE1 3.23Å
221	K	98.7	Very high	98.9	Very high	93 Å²	93	25.6 Å²	25.6	40%	0.404	12%	0.122	S	C	.	.	H	α-helix	trans	-64.5	-35.9	174.4	-73.2	-170.6	72.3	154.9	0	112.5	K217 I218 I219 L223 D224 A225 G540 I541	K217-K221 WeakPolarHBondContact O-CG 3.45Å; K217-K221 PolarHBondContact O-N 2.92Å; I218-K221 PolarHBondContact O-N 3.44Å; I219-K221 PolarHBondContact O-N 3.01Å; K221-L223 VanDerWaalsContact C-N 3.35Å; K221-D224 PolarHBondContact O-N 3.28Å; K221-A225 PolarHBondContact O-N 3.05Å; K221-G540 VanDerWaalsContact CE-O 3.23Å; K221-G540 WeakPolarHBondContact CE-O 3.48Å; K221-G540 PolarHBondContact NZ-O 3.31Å; K221-I541 HydrophobicContact CB-CD1 4.47Å
222	T	98.9	Very high	98.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-42	172.7	-61.5	0	0	0	0	110.9	I207 I218 I219 L220 D224 A225 M226 L498 L502	I207-T222 HydrophobicContact CG2-CG2 4.42Å; I218-T222 PolarHBondContact O-N 3Å; I218-T222 PolarHBondContact O-OG1 3.46Å; I218-T222 VanDerWaalsContact O-OG1 3.05Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 2.74Å; L220-T222 VanDerWaalsContact C-N 3.32Å; L220-T222 PolarHBondContact O-N 2.88Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 3.02Å; T222-A225 PolarHBondContact O-N 2.94Å; T222-M226 HydrophobicContact CG2-CG 4.36Å; T222-M226 HydrophobicContact CG2-SD 4.03Å; T222-M226 WeakPolarHBondContact O-CB 3.42Å; T222-M226 VanDerWaalsContact O-CG 3.23Å; T222-M226 WeakPolarHBondContact O-CG 3.23Å; T222-M226 PolarHBondContact O-N 2.87Å; T222-L498 WeakPolarHBondContact OG1-CD2 3.28Å; T222-L502 HydrophobicContact CG2-CD2 3.94Å
223	L	98.9	Very high	98.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.1	-37.2	174.7	-70	170.3	0	0	0	112.7	I219 L220 K221 M226 A227 L234 V274 Y277 A278 I283	I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 2.95Å; L220-L223 HydrophobicContact CD2-CD1 4.25Å; L220-L223 WeakPolarHBondContact O-CB 3.36Å; L220-L223 PolarHBondContact O-N 3.05Å; K221-L223 VanDerWaalsContact C-N 3.35Å; L223-M226 HydrophobicContact CD2-SD 4.07Å; L223-A227 PolarHBondContact O-N 3.47Å; L223-L234 HydrophobicContact CD2-CB 4.12Å; L223-L234 HydrophobicContact CD2-CD2 3.99Å; L223-L234 HydrophobicContact CG-CD2 4.44Å; L223-V274 HydrophobicContact CD1-CG1 4.23Å; L223-Y277 HydrophobicContact CB-CD1 4.01Å; L223-Y277 HydrophobicContact CB-CE1 4.27Å; L223-Y277 HydrophobicContact CD1-CD1 3.88Å; L223-A278 HydrophobicContact CD1-CB 3.85Å; L223-A278 HydrophobicContact CD2-CB 3.74Å; L223-A278 HydrophobicContact CG-CB 4.45Å; L223-I283 HydrophobicContact CB-CD1 4.34Å; L223-I283 HydrophobicContact CD2-CB 4.25Å; L223-I283 HydrophobicContact CD2-CD1 3.87Å; L223-I283 HydrophobicContact CD2-CG2 3.73Å; L223-I283 WeakPolarHBondContact O-CD1 3.47Å
224	D	98.9	Very high	98.9	Very high	17 Å²	17	19.9 Å²	19.9	9%	0.091	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-49.1	171	-78.5	-50	0	0	0	111.7	L220 K221 T222 M226 A227 F228 Y277 R281	L220-D224 PolarHBondContact O-N 3.18Å; K221-D224 PolarHBondContact O-N 3.28Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 3.02Å; D224-M226 VanDerWaalsContact C-N 3.3Å; D224-M226 PolarHBondContact O-N 3.5Å; D224-A227 WeakPolarHBondContact O-CB 3.46Å; D224-A227 PolarHBondContact O-N 3.46Å; D224-A227 VanDerWaalsContact O-N 3.11Å; D224-F228 HydrophobicContact CB-CE2 4.31Å; D224-F228 HydrophobicContact CB-CZ 4.01Å; D224-F228 VanDerWaalsContact O-CD1 3.32Å; D224-F228 WeakPolarHBondContact O-CD1 3.45Å; D224-F228 WeakPolarHBondContact O-CD2 3.5Å; D224-F228 VanDerWaalsContact O-CG 3.25Å; D224-F228 WeakPolarHBondContact O-CG 3.43Å; D224-F228 PolarHBondContact O-N 2.99Å; D224-Y277 PolarHBondContact OD1-OH 3.45Å; D224-Y277 PolarHBondContact OD2-OH 2.88Å; D224-R281 IonicContact OD1-CZ 3.51Å; D224-R281 IonicContact OD1-NE 2.68Å; D224-R281 PolarHBondContact OD1-NE 3.06Å; D224-R281 IonicContact OD1-NH2 3.35Å; D224-R281 PolarHBondContact OD1-NH2 3.34Å; D224-R281 IonicContact OD2-NH2 3.12Å
225	A	98.9	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-38.1	178.1	0	0	0	0	0	112.5	K221 T222 F228 N229 W503 M536 I541	K221-A225 PolarHBondContact O-N 3.05Å; T222-A225 PolarHBondContact O-N 2.94Å; A225-F228 PolarHBondContact O-N 2.83Å; A225-N229 PolarHBondContact O-N 3.01Å; A225-N229 VanDerWaalsContact O-N 3.17Å; A225-N229 PolarHBondContact O-ND2 3.06Å; A225-W503 HydrophobicContact CB-CD2 4.1Å; A225-W503 HydrophobicContact CB-CG 4.43Å; A225-W503 HydrophobicContact CB-CH2 4.5Å; A225-W503 HydrophobicContact CB-CZ2 3.65Å; A225-W503 VanDerWaalsContact CB-NE1 3.32Å; A225-M536 HydrophobicContact CB-CE 4.02Å; A225-I541 HydrophobicContact CB-CD1 4.11Å; A225-I541 HydrophobicContact CB-CG1 4.14Å; A225-I541 HydrophobicContact CB-CG2 4.01Å
226	M	98.9	Very high	98.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-44.3	172.5	-75.5	169	71.9	0	0	111.5	I205 T222 L223 D224 F228 N229 K230 F231 V233 L234 I283 W503	I205-M226 HydrophobicContact CB-CE 4.2Å; I205-M226 HydrophobicContact CB-CG 4.42Å; I205-M226 HydrophobicContact CB-SD 4.1Å; I205-M226 HydrophobicContact CG1-CE 4.24Å; I205-M226 HydrophobicContact CG1-CG 3.82Å; I205-M226 HydrophobicContact CG1-SD 4.15Å; T222-M226 HydrophobicContact CG2-CG 4.36Å; T222-M226 HydrophobicContact CG2-SD 4.03Å; T222-M226 WeakPolarHBondContact O-CB 3.42Å; T222-M226 VanDerWaalsContact O-CG 3.23Å; T222-M226 WeakPolarHBondContact O-CG 3.23Å; T222-M226 PolarHBondContact O-N 2.87Å; L223-M226 HydrophobicContact CD2-SD 4.07Å; D224-M226 VanDerWaalsContact C-N 3.3Å; D224-M226 PolarHBondContact O-N 3.5Å; M226-F228 VanDerWaalsContact C-N 3.35Å; M226-F228 PolarHBondContact O-N 3.39Å; M226-N229 CarbonylContact O-C 3.2Å; M226-N229 PolarHBondContact O-N 3Å; M226-N229 VanDerWaalsContact O-N 3.1Å; M226-K230 PolarHBondContact O-N 2.94Å; M226-F231 HydrophobicContact CB-CB 3.81Å; M226-F231 HydrophobicContact CE-CB 4.06Å; M226-F231 HydrophobicContact CG-CB 4Å; M226-F231 PolarHBondContact O-N 3.35Å; M226-V233 VanDerWaalsContact CE-C 3.46Å; M226-V233 WeakPolarHBondContact CE-O 3.29Å; M226-L234 HydrophobicContact CE-CB 4.05Å; M226-L234 HydrophobicContact SD-CB 4.48Å; M226-L234 HydrophobicContact SD-CD1 4.14Å; M226-I283 HydrophobicContact CB-CD1 3.74Å; M226-I283 HydrophobicContact CE-CD1 4.36Å; M226-I283 HydrophobicContact CE-CG2 3.72Å; M226-W503 HydrophobicContact CG-CH2 4.3Å; M226-W503 HydrophobicContact CG-CZ2 4.11Å
227	A	98.9	Very high	98.9	Very high	5 Å²	5	16.4 Å²	16.4	4%	0.041	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176.8	0	0	0	0	0	111.8	L223 D224 N229 K230 R281	L223-A227 PolarHBondContact O-N 3.47Å; D224-A227 WeakPolarHBondContact O-CB 3.46Å; D224-A227 PolarHBondContact O-N 3.46Å; D224-A227 VanDerWaalsContact O-N 3.11Å; A227-N229 PolarHBondContact O-N 2.91Å; A227-K230 PolarHBondContact O-N 2.87Å; A227-K230 VanDerWaalsContact O-N 3.14Å; A227-R281 HydrophobicContact CB-CB 4.11Å; A227-R281 HydrophobicContact CB-CG 4.03Å
228	F	98.9	Very high	98.9	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.009	4%	0.039	C	C	.	.	H	α-helix	trans	-63	-25.3	176.7	-52.5	-23.3	0	0	0	112.9	Y104 D224 A225 M226 R539 I541	Y104-F228 HydrophobicContact CD2-CE1 4.18Å; Y104-F228 HydrophobicContact CE1-CE1 4.46Å; Y104-F228 HydrophobicContact CE1-CZ 4.19Å; Y104-F228 HydrophobicContact CE2-CD1 4.43Å; Y104-F228 AromaticContact CE2-CE1 3.4Å; Y104-F228 HydrophobicContact CE2-CE1 3.4Å; Y104-F228 AromaticContact CE2-CZ 3.93Å; Y104-F228 HydrophobicContact CE2-CZ 3.93Å; Y104-F228 AromaticContact CZ-CE1 3.57Å; Y104-F228 AromaticContact CZ-CZ 3.6Å; Y104-F228 WeakPolarHBondContact OH-CZ 3.1Å; D224-F228 HydrophobicContact CB-CE2 4.31Å; D224-F228 HydrophobicContact CB-CZ 4.01Å; D224-F228 VanDerWaalsContact O-CD1 3.32Å; D224-F228 WeakPolarHBondContact O-CD1 3.45Å; D224-F228 WeakPolarHBondContact O-CD2 3.5Å; D224-F228 VanDerWaalsContact O-CG 3.25Å; D224-F228 WeakPolarHBondContact O-CG 3.43Å; D224-F228 PolarHBondContact O-N 2.99Å; A225-F228 PolarHBondContact O-N 2.83Å; M226-F228 VanDerWaalsContact C-N 3.35Å; M226-F228 PolarHBondContact O-N 3.39Å; F228-R539 HydrophobicContact CE2-CB 3.78Å; F228-R539 HydrophobicContact CE2-CG 4.45Å; F228-R539 HydrophobicContact CZ-CB 4.13Å; F228-I541 HydrophobicContact CD2-CG1 4.2Å; F228-I541 HydrophobicContact CE2-CD1 4.41Å; F228-I541 HydrophobicContact CE2-CG1 3.82Å
229	N	99	Very high	98.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	8.7	-179.6	-72	-85.8	0	0	0	113.1	A225 M226 A227 F231 W503 S507 H532 M536	A225-N229 PolarHBondContact O-N 3.01Å; A225-N229 VanDerWaalsContact O-N 3.17Å; A225-N229 PolarHBondContact O-ND2 3.06Å; M226-N229 CarbonylContact O-C 3.2Å; M226-N229 PolarHBondContact O-N 3Å; M226-N229 VanDerWaalsContact O-N 3.1Å; A227-N229 PolarHBondContact O-N 2.91Å; N229-F231 HydrophobicContact CB-CD2 3.71Å; N229-F231 HydrophobicContact CB-CE2 4.03Å; N229-F231 PolarHBondContact O-N 2.69Å; N229-F231 VanDerWaalsContact O-N 3.17Å; N229-W503 HydrophobicContact CB-CH2 4.26Å; N229-W503 HydrophobicContact CB-CZ3 3.91Å; N229-W503 WeakPolarHBondContact ND2-CZ3 3.5Å; N229-S507 WeakPolarHBondContact OD1-CB 3.42Å; N229-S507 PolarHBondContact OD1-OG 2.83Å; N229-H532 PolarHBondContact OD1-NE2 3.39Å; N229-M536 WeakPolarHBondContact ND2-CE 3.38Å; N229-M536 PolarHBondContact ND2-SD 3.05Å
230	K	98.9	Very high	98.9	Very high	1 Å²	1	7.1 Å²	7.1	0%	0.004	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	25.3	-178.3	-53.7	-171.3	174.8	79	0	115	P58 R170 T174 R203 M226 A227 W514	P58-K230 HydrophobicContact CG-CB 4.38Å; P58-K230 HydrophobicContact CG-CD 4.5Å; R170-K230 HydrophobicContact CB-CD 4.41Å; T174-K230 VanDerWaalsContact OG1-CE 3.26Å; T174-K230 WeakPolarHBondContact OG1-CE 3.47Å; T174-K230 PolarHBondContact OG1-NZ 3.17Å; R203-K230 PolarHBondContact NE-O 3.37Å; R203-K230 PolarHBondContact NH2-O 2.99Å; M226-K230 PolarHBondContact O-N 2.94Å; A227-K230 PolarHBondContact O-N 2.87Å; A227-K230 VanDerWaalsContact O-N 3.14Å; K230-W514 HydrophobicContact CB-CD2 4.06Å; K230-W514 HydrophobicContact CB-CE3 3.5Å; K230-W514 VanDerWaalsContact CB-CE3 3.5Å; K230-W514 HydrophobicContact CB-CZ3 3.82Å; K230-W514 HydrophobicContact CD-CD2 3.59Å; K230-W514 VanDerWaalsContact CD-CE2 3.49Å; K230-W514 HydrophobicContact CD-CE3 3.7Å; K230-W514 HydrophobicContact CD-CG 4.34Å; K230-W514 HydrophobicContact CD-CH2 3.78Å; K230-W514 HydrophobicContact CD-CZ2 3.61Å; K230-W514 HydrophobicContact CD-CZ3 3.8Å; K230-W514 HydrophobicContact CG-CD2 4.49Å; K230-W514 HydrophobicContact CG-CE3 4.25Å; K230-W514 HydrophobicContact CG-CZ3 4.38Å
231	F	98.9	Very high	98.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.			trans	-66.7	150.8	163.9	-79.3	-91.2	0	0	0	109.8	R203 G204 I205 M226 N229 W503 A506 V509 G510	R203-F231 HydrophobicContact CB-CD1 4.18Å; R203-F231 WeakPolarHBondContact O-CD1 3.29Å; G204-F231 WeakPolarHBondContact O-CD1 3.33Å; G204-F231 VanDerWaalsContact O-CE1 3.22Å; G204-F231 WeakPolarHBondContact O-CE1 3.43Å; I205-F231 HydrophobicContact CD1-CD1 3.83Å; I205-F231 HydrophobicContact CD1-CD2 4.4Å; I205-F231 HydrophobicContact CD1-CE1 3.53Å; I205-F231 HydrophobicContact CD1-CE2 4.1Å; I205-F231 HydrophobicContact CD1-CG 4.28Å; I205-F231 HydrophobicContact CD1-CZ 3.66Å; I205-F231 HydrophobicContact CG1-CD1 3.76Å; I205-F231 HydrophobicContact CG1-CD2 4.45Å; I205-F231 HydrophobicContact CG1-CE1 4.02Å; I205-F231 HydrophobicContact CG1-CG 4.02Å; I205-F231 HydrophobicContact CG1-CZ 4.43Å; M226-F231 HydrophobicContact CB-CB 3.81Å; M226-F231 HydrophobicContact CE-CB 4.06Å; M226-F231 HydrophobicContact CG-CB 4Å; M226-F231 PolarHBondContact O-N 3.35Å; N229-F231 HydrophobicContact CB-CD2 3.71Å; N229-F231 HydrophobicContact CB-CE2 4.03Å; N229-F231 PolarHBondContact O-N 2.69Å; N229-F231 VanDerWaalsContact O-N 3.17Å; F231-W503 AromaticContact CD2-CH2 4Å; F231-W503 HydrophobicContact CD2-CH2 4Å; F231-W503 HydrophobicContact CD2-CZ3 4.37Å; F231-W503 HydrophobicContact CE2-CH2 4.04Å; F231-W503 HydrophobicContact CE2-CZ3 4.06Å; F231-A506 WeakPolarHBondContact CE2-O 3.5Å; F231-A506 VanDerWaalsContact CZ-O 3.26Å; F231-A506 WeakPolarHBondContact CZ-O 3.31Å; F231-V509 HydrophobicContact CZ-CB 4.29Å; F231-G510 VanDerWaalsContact CE2-CA 3.47Å; F231-G510 VanDerWaalsContact CZ-CA 3.44Å
232	N	98.9	Very high	98.9	Very high	7 Å²	7	7.4 Å²	7.4	4%	0.037	4%	0.038	C	C	.	.			trans	-138.9	4	-173.7	71.7	-12.2	0	0	0	114.5	E147 S201 R203 I283 R284	E147-N232 PolarHBondContact OE2-ND2 3.43Å; S201-N232 PolarHBondContact O-ND2 2.83Å; S201-N232 PolarHBondContact O-OD1 2.94Å; R203-N232 WeakPolarHBondContact CB-OD1 3.16Å; R203-N232 PolarHBondContact N-OD1 3.08Å; R203-N232 PolarHBondContact NH1-ND2 3.11Å; R203-N232 PolarHBondContact NH2-ND2 2.86Å; R203-N232 PolarHBondContact O-N 3.32Å; R203-N232 PolarHBondContact O-OD1 2.92Å; N232-I283 CarbonylContact O-C 3.57Å; N232-I283 WeakPolarHBondContact O-CA 3.43Å; N232-R284 WeakPolarHBondContact O-CB 3.22Å; N232-R284 PolarHBondContact O-N 3.19Å
233	V	99	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.6	171.9	-176.6	0	0	0	0	109.3	R203 G204 I205 M226 R284 L286	R203-V233 PolarHBondContact O-N 3.33Å; G204-V233 CarbonylContact C-O 3.49Å; G204-V233 VanDerWaalsContact CA-O 3.25Å; G204-V233 WeakPolarHBondContact CA-O 3.49Å; I205-V233 PolarHBondContact N-O 2.87Å; M226-V233 VanDerWaalsContact CE-C 3.46Å; M226-V233 WeakPolarHBondContact CE-O 3.29Å; V233-R284 HydrophobicContact CG2-CB 4.24Å; V233-L286 HydrophobicContact CG1-CB 3.85Å; V233-L286 HydrophobicContact CG1-CD2 4.24Å
234	L	99	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	105.2	161.8	177.2	65.2	0	0	0	106.5	I207 I219 L223 M226 W236 V274 I283 R284 L286	I207-L234 HydrophobicContact CD1-CD1 3.82Å; I207-L234 HydrophobicContact CD1-CD2 4.39Å; I207-L234 HydrophobicContact CG1-CD1 3.84Å; I207-L234 HydrophobicContact CG2-CD1 4.24Å; I219-L234 HydrophobicContact CG2-CD2 3.95Å; L223-L234 HydrophobicContact CD2-CB 4.12Å; L223-L234 HydrophobicContact CD2-CD2 3.99Å; L223-L234 HydrophobicContact CG-CD2 4.44Å; M226-L234 HydrophobicContact CE-CB 4.05Å; M226-L234 HydrophobicContact SD-CB 4.48Å; M226-L234 HydrophobicContact SD-CD1 4.14Å; L234-W236 HydrophobicContact CG-CB 4.48Å; L234-W236 PolarHBondContact O-N 3.14Å; L234-V274 HydrophobicContact CD2-CG1 4.08Å; L234-I283 HydrophobicContact CB-CG2 4.2Å; L234-R284 PolarHBondContact N-O 2.85Å; L234-L286 PolarHBondContact O-N 2.98Å
235	H	99	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	105.7	169.2	-174.9	174.1	0	0	0	107.1	I205 L206 I207 H237 L286 E288 H350 W405 E422 E485	I205-H235 PolarHBondContact O-N 3.43Å; L206-H235 VanDerWaalsContact CA-O 3.29Å; L206-H235 WeakPolarHBondContact CA-O 3.46Å; L206-H235 HydrophobicContact CB-CB 4.07Å; L206-H235 HydrophobicContact CG-CB 4.47Å; I207-H235 PolarHBondContact N-O 3.38Å; H235-H237 PolarHBondContact O-N 3.22Å; H235-L286 HydrophobicContact CB-CD2 4.4Å; H235-E288 IonicContact CD2-OE2 3.64Å; H235-E288 IonicContact CE1-OE2 3.12Å; H235-E288 WeakPolarHBondContact NE2-CB 3.18Å; H235-E288 IonicContact NE2-OE2 3.74Å; H235-E288 PolarHBondContact NE2-OE2 3.44Å; H235-H350 AromaticContact CE1-CD2 3.37Å; H235-H350 PolarHBondContact CE1-CD2 2.77Å; H235-H350 AromaticContact CE1-CG 3.7Å; H235-H350 AromaticContact CE1-NE2 3.75Å; H235-H350 AromaticContact NE2-CD2 3.52Å; H235-H350 AromaticContact NE2-CG 3.39Å; H235-H350 AromaticContact NE2-ND1 3.92Å; H235-W405 AromaticContact CE1-CZ2 3.95Å; H235-E422 IonicContact CE1-OE2 3.41Å; H235-E422 IonicContact ND1-OE2 3.79Å; H235-E485 WeakPolarHBondContact CB-OE2 3.5Å; H235-E485 IonicContact CE1-OE2 3.01Å; H235-E485 IonicContact CG-OE2 2.79Å; H235-E485 VanDerWaalsContact CG-OE2 3.3Å; H235-E485 IonicContact ND1-OE1 3.07Å; H235-E485 IonicContact ND1-OE2 2.91Å; H235-E485 PolarHBondContact ND1-OE2 3Å
236	W	98.9	Very high	98.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	92.9	-174.7	-166.5	-3.6	0	0	0	109.7	T209 I219 L234 I238 Y266 V271 V274 V285 L286 E288 F344	T209-W236 PolarHBondContact OG1-NE1 3.25Å; I219-W236 HydrophobicContact CD1-CH2 4.38Å; I219-W236 HydrophobicContact CD1-CZ2 3.8Å; L234-W236 HydrophobicContact CG-CB 4.48Å; L234-W236 PolarHBondContact O-N 3.14Å; W236-I238 VanDerWaalsContact C-N 3.26Å; W236-I238 HydrophobicContact CD2-CB 4.45Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.28Å; W236-I238 HydrophobicContact CE3-CD1 4.34Å; W236-I238 HydrophobicContact CG-CB 4.19Å; W236-I238 HydrophobicContact CH2-CD1 4.14Å; W236-I238 HydrophobicContact CZ2-CD1 3.81Å; W236-I238 HydrophobicContact CZ2-CG1 4.11Å; W236-I238 HydrophobicContact CZ3-CD1 4.38Å; W236-I238 PolarHBondContact O-N 3.11Å; W236-Y266 HydrophobicContact CH2-CD1 4.35Å; W236-Y266 HydrophobicContact CH2-CD2 4.41Å; W236-Y266 HydrophobicContact CH2-CG 4.22Å; W236-Y266 HydrophobicContact CZ2-CD1 4.07Å; W236-Y266 AromaticContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CE1 4.04Å; W236-Y266 AromaticContact CZ2-CE2 3.69Å; W236-Y266 HydrophobicContact CZ2-CE2 3.69Å; W236-Y266 AromaticContact CZ2-CG 3.9Å; W236-Y266 HydrophobicContact CZ2-CG 3.9Å; W236-Y266 AromaticContact CZ2-CZ 3.85Å; W236-V271 HydrophobicContact CH2-CG2 4.44Å; W236-V274 HydrophobicContact CE3-CG1 4.09Å; W236-V274 HydrophobicContact CH2-CB 4.26Å; W236-V274 HydrophobicContact CH2-CG1 4.28Å; W236-V274 HydrophobicContact CH2-CG2 4.02Å; W236-V274 HydrophobicContact CZ3-CB 3.88Å; W236-V274 HydrophobicContact CZ3-CG1 3.66Å; W236-V274 HydrophobicContact CZ3-CG2 4.16Å; W236-V285 HydrophobicContact CE3-CG1 3.88Å; W236-L286 PolarHBondContact N-O 2.74Å; W236-E288 PolarHBondContact O-N 3.04Å; W236-F344 HydrophobicContact CE3-CE1 4.42Å
237	H	98.9	Very high	98.9	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	85.4	168	-169	96.6	0	0	0	109.1	L206 I207 T209 H235 V239 D240 E288 W489	L206-H237 HydrophobicContact CD2-CB 4.15Å; L206-H237 HydrophobicContact CG-CB 4.26Å; I207-H237 WeakPolarHBondContact O-CB 3.26Å; I207-H237 PolarHBondContact O-N 3.18Å; T209-H237 PolarHBondContact N-O 3.48Å; H235-H237 PolarHBondContact O-N 3.22Å; H237-V239 PolarHBondContact NE2-O 3.32Å; H237-D240 IonicContact CE1-OD2 3.72Å; H237-D240 IonicContact NE2-OD2 2.85Å; H237-D240 PolarHBondContact NE2-OD2 2.64Å; H237-E288 IonicContact CE1-OE2 2.74Å; H237-E288 IonicContact CG-OE2 3.8Å; H237-E288 IonicContact ND1-OE1 3.26Å; H237-E288 IonicContact ND1-OE2 3.98Å; H237-E288 PolarHBondContact ND1-OE2 3.22Å; H237-W489 HydrophobicContact CB-CZ3 4.38Å; H237-W489 AromaticContact CE1-CZ3 3.75Å; H237-W489 AromaticContact CG-CZ3 3.74Å; H237-W489 AromaticContact ND1-CH2 3.9Å; H237-W489 AromaticContact ND1-CZ3 3.53Å
238	I	98.9	Very high	98.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.			trans	-86.1	-28.1	-160.5	-164.7	169.8	0	0	0	113	T209 W236 P245 Y246 Y266 E288 F289 F344	T209-I238 WeakPolarHBondContact OG1-CA 3.45Å; T209-I238 PolarHBondContact OG1-O 3.48Å; W236-I238 VanDerWaalsContact C-N 3.26Å; W236-I238 HydrophobicContact CD2-CB 4.45Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.28Å; W236-I238 HydrophobicContact CE3-CD1 4.34Å; W236-I238 HydrophobicContact CG-CB 4.19Å; W236-I238 HydrophobicContact CH2-CD1 4.14Å; W236-I238 HydrophobicContact CZ2-CD1 3.81Å; W236-I238 HydrophobicContact CZ2-CG1 4.11Å; W236-I238 HydrophobicContact CZ3-CD1 4.38Å; W236-I238 PolarHBondContact O-N 3.11Å; I238-P245 WeakPolarHBondContact O-CD 3.37Å; I238-P245 WeakPolarHBondContact O-CG 3.22Å; I238-Y246 HydrophobicContact CD1-CD2 3.88Å; I238-Y246 HydrophobicContact CD1-CG 4.34Å; I238-Y266 HydrophobicContact CD1-CD2 4.19Å; I238-Y266 HydrophobicContact CG1-CD2 4.08Å; I238-Y266 HydrophobicContact CG1-CE2 4.33Å; I238-E288 WeakPolarHBondContact CG2-O 3.28Å; I238-E288 PolarHBondContact N-O 2.78Å; I238-F289 HydrophobicContact CG2-CD1 3.94Å; I238-F289 HydrophobicContact CG2-CD2 4.42Å; I238-F289 HydrophobicContact CG2-CE1 3.45Å; I238-F289 VanDerWaalsContact CG2-CE1 3.45Å; I238-F289 HydrophobicContact CG2-CE2 3.99Å; I238-F289 HydrophobicContact CG2-CG 4.4Å; I238-F289 HydrophobicContact CG2-CZ 3.49Å; I238-F289 VanDerWaalsContact CG2-CZ 3.49Å; I238-F344 HydrophobicContact CD1-CZ 4.48Å
239	V	98.9	Very high	98.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.			trans	-139.1	150.8	-177.2	-59.9	0	0	0	0	109.7	H237 F244 F289 W298	H237-V239 PolarHBondContact NE2-O 3.32Å; V239-F244 HydrophobicContact CB-CD2 3.78Å; V239-F244 HydrophobicContact CB-CE2 4.01Å; V239-F244 HydrophobicContact CB-CG 4.35Å; V239-F244 HydrophobicContact CG1-CB 4.45Å; V239-F244 HydrophobicContact CG1-CD1 4.07Å; V239-F244 HydrophobicContact CG1-CD2 3.55Å; V239-F244 HydrophobicContact CG1-CE1 4.17Å; V239-F244 HydrophobicContact CG1-CE2 3.66Å; V239-F244 HydrophobicContact CG1-CG 3.77Å; V239-F244 HydrophobicContact CG1-CZ 3.97Å; V239-F244 HydrophobicContact CG2-CD2 4.23Å; V239-F244 HydrophobicContact CG2-CE2 4Å; V239-F289 HydrophobicContact CG1-CD1 4.43Å; V239-F289 HydrophobicContact CG1-CE1 4.17Å; V239-F289 HydrophobicContact CG2-CD1 3.62Å; V239-F289 HydrophobicContact CG2-CE1 4.18Å; V239-W298 HydrophobicContact CG2-CZ2 3.6Å
240	D	98.8	Very high	98.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-158.2	-164.8	176.8	-161.1	-83.7	0	0	0	108.5	S210 R211 H237 Q242 S243 H294 S297	S210-D240 VanDerWaalsContact CB-CB 3.4Å; S210-D240 WeakPolarHBondContact OG-CA 3.47Å; S210-D240 WeakPolarHBondContact OG-CB 3.2Å; S210-D240 PolarHBondContact OG-N 3.12Å; R211-D240 IonicContact CZ-OD1 2.81Å; R211-D240 IonicContact CZ-OD2 3.73Å; R211-D240 IonicContact NE-OD1 3.16Å; R211-D240 PolarHBondContact NE-OD1 3.35Å; R211-D240 IonicContact NE-OD2 3.66Å; R211-D240 PolarHBondContact NE-OD2 2.75Å; R211-D240 IonicContact NH1-OD2 3.59Å; R211-D240 IonicContact NH2-OD1 3.32Å; R211-D240 PolarHBondContact NH2-OD1 3.04Å; R211-D240 VanDerWaalsContact NH2-OD1 3.12Å; R211-D240 IonicContact NH2-OD2 2.67Å; R211-D240 PolarHBondContact NH2-OD2 2.84Å; H237-D240 IonicContact CE1-OD2 3.72Å; H237-D240 IonicContact NE2-OD2 2.85Å; H237-D240 PolarHBondContact NE2-OD2 2.64Å; D240-Q242 PolarHBondContact O-N 3.16Å; D240-Q242 PolarHBondContact OD1-OE1 3.21Å; D240-S243 PolarHBondContact N-O 2.84Å; D240-H294 CarbonylContact C-O 3.6Å; D240-H294 VanDerWaalsContact CA-O 3.24Å; D240-H294 WeakPolarHBondContact CA-O 3.3Å; D240-H294 IonicContact OD1-CG 3.39Å; D240-H294 IonicContact OD1-ND1 3.42Å; D240-H294 PolarHBondContact OD1-ND1 3.12Å; D240-H294 WeakPolarHBondContact OD2-CB 3.25Å; D240-H294 IonicContact OD2-CG 2.71Å; D240-H294 IonicContact OD2-ND1 2.69Å; D240-H294 PolarHBondContact OD2-ND1 2.91Å; D240-H294 VanDerWaalsContact OD2-ND1 3.09Å; D240-S297 VanDerWaalsContact O-CB 3.23Å; D240-S297 WeakPolarHBondContact O-CB 3.44Å; D240-S297 PolarHBondContact O-OG 3.1Å
241	D	98.8	Very high	98.9	Very high	43 Å²	43	19.9 Å²	19.9	23%	0.23	10%	0.101	C	C	.	.	S	Bend	trans	-56.5	-43	179.5	-79.4	-31.7	0	0	0	114.4	H294 T295 L296 S297	D241-H294 PolarHBondContact N-O 3.42Å; D241-H294 VanDerWaalsContact OD1-CA 3.31Å; D241-H294 WeakPolarHBondContact OD1-CA 3.4Å; D241-H294 IonicContact OD2-ND1 3.86Å; D241-T295 PolarHBondContact OD1-N 3.28Å; D241-L296 HydrophobicContact CB-CB 3.95Å; D241-L296 HydrophobicContact CB-CD1 4.11Å; D241-L296 HydrophobicContact CB-CG 4.3Å; D241-L296 VanDerWaalsContact OD1-CB 3.25Å; D241-L296 WeakPolarHBondContact OD1-CB 3.18Å; D241-L296 WeakPolarHBondContact OD1-CG 3.49Å; D241-L296 PolarHBondContact OD1-N 3.22Å; D241-S297 WeakPolarHBondContact O-CB 3.09Å; D241-S297 PolarHBondContact O-N 2.86Å; D241-S297 VanDerWaalsContact O-N 3.1Å
242	Q	98.8	Very high	98.9	Very high	78 Å²	78	22.6 Å²	22.6	36%	0.364	12%	0.119	S	C	.	.	S	Bend	trans	-76.2	-41.1	-168.5	-62.3	76.2	6.6	0	0	111.6	D240 Y260	D240-Q242 PolarHBondContact O-N 3.16Å; D240-Q242 PolarHBondContact OD1-OE1 3.21Å; Q242-Y260 WeakPolarHBondContact CB-OH 3.39Å
243	S	98.9	Very high	98.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.135	C	C	.	.			trans	-150.9	154.9	177.6	77.9	0	0	0	0	115.4	S210 D240 P245 G258 Y260 S297	S210-S243 WeakPolarHBondContact CA-OG 3.25Å; S210-S243 PolarHBondContact O-OG 2.92Å; S210-S243 PolarHBondContact OG-N 2.79Å; S210-S243 PolarHBondContact OG-O 3.34Å; D240-S243 PolarHBondContact N-O 2.84Å; S243-P245 VanDerWaalsContact C-CD 3.49Å; S243-P245 WeakPolarHBondContact O-CD 3.23Å; S243-G258 CarbonylContact C-O 3.55Å; S243-G258 VanDerWaalsContact CA-O 3.32Å; S243-G258 WeakPolarHBondContact CA-O 3.39Å; S243-Y260 WeakPolarHBondContact OG-CE2 3.44Å; S243-S297 VanDerWaalsContact C-CB 3.47Å; S243-S297 PolarHBondContact O-OG 2.75Å
244	F	98.9	Very high	98.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.			trans	-116.2	81.2	173.6	-160.9	-79.7	0	0	0	109.7	V239 Y246 L254 S255 G258 S259 F289 W298 F336	V239-F244 HydrophobicContact CB-CD2 3.78Å; V239-F244 HydrophobicContact CB-CE2 4.01Å; V239-F244 HydrophobicContact CB-CG 4.35Å; V239-F244 HydrophobicContact CG1-CB 4.45Å; V239-F244 HydrophobicContact CG1-CD1 4.07Å; V239-F244 HydrophobicContact CG1-CD2 3.55Å; V239-F244 HydrophobicContact CG1-CE1 4.17Å; V239-F244 HydrophobicContact CG1-CE2 3.66Å; V239-F244 HydrophobicContact CG1-CG 3.77Å; V239-F244 HydrophobicContact CG1-CZ 3.97Å; V239-F244 HydrophobicContact CG2-CD2 4.23Å; V239-F244 HydrophobicContact CG2-CE2 4Å; F244-Y246 VanDerWaalsContact CD1-O 3.26Å; F244-Y246 WeakPolarHBondContact CD1-O 3.27Å; F244-Y246 AromaticContact CE1-CD1 3.92Å; F244-Y246 HydrophobicContact CE1-CD1 3.92Å; F244-Y246 HydrophobicContact CE1-CG 4.44Å; F244-Y246 WeakPolarHBondContact CE1-O 3.28Å; F244-Y246 HydrophobicContact CZ-CD1 4.18Å; F244-L254 HydrophobicContact CD1-CB 3.66Å; F244-L254 HydrophobicContact CE1-CB 3.46Å; F244-L254 VanDerWaalsContact CE1-CB 3.46Å; F244-L254 HydrophobicContact CE1-CD1 3.97Å; F244-L254 HydrophobicContact CE1-CG 4.3Å; F244-L254 HydrophobicContact CE2-CB 4.48Å; F244-L254 HydrophobicContact CE2-CD1 4.36Å; F244-L254 HydrophobicContact CG-CB 4.26Å; F244-L254 HydrophobicContact CZ-CB 3.92Å; F244-L254 HydrophobicContact CZ-CD1 3.68Å; F244-L254 HydrophobicContact CZ-CG 4.3Å; F244-S255 WeakPolarHBondContact O-CA 3.11Å; F244-G258 PolarHBondContact N-O 2.93Å; F244-S259 PolarHBondContact O-N 3.33Å; F244-F289 HydrophobicContact CZ-CE1 4.46Å; F244-W298 AromaticContact CD2-CD1 3.77Å; F244-W298 AromaticContact CD2-CD2 3.99Å; F244-W298 HydrophobicContact CD2-CD2 3.99Å; F244-W298 AromaticContact CD2-CG 3.89Å; F244-W298 HydrophobicContact CD2-CG 3.89Å; F244-W298 AromaticContact CD2-NE1 3.88Å; F244-W298 AromaticContact CE2-CD2 3.51Å; F244-W298 HydrophobicContact CE2-CD2 3.51Å; F244-W298 AromaticContact CE2-CE2 3.53Å; F244-W298 AromaticContact CE2-CE3 3.85Å; F244-W298 HydrophobicContact CE2-CE3 3.85Å; F244-W298 AromaticContact CE2-CG 3.93Å; F244-W298 HydrophobicContact CE2-CG 3.93Å; F244-W298 HydrophobicContact CE2-CH2 4.22Å; F244-W298 AromaticContact CE2-CZ2 3.92Å; F244-W298 HydrophobicContact CE2-CZ2 3.92Å; F244-W298 HydrophobicContact CE2-CZ3 4.18Å; F244-W298 AromaticContact CE2-NE1 3.88Å; F244-F336 HydrophobicContact CZ-CE2 4.05Å; F244-F336 HydrophobicContact CZ-CZ 4.05Å
245	P	98.9	Very high	98.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.			trans	-78.4	-17.2	-178.6	32.5	-39.8	0	0	0	113.6	Y213 I238 S243 Q247 H264 V265 Y266	Y213-P245 HydrophobicContact CD2-CB 4.18Å; I238-P245 WeakPolarHBondContact O-CD 3.37Å; I238-P245 WeakPolarHBondContact O-CG 3.22Å; S243-P245 VanDerWaalsContact C-CD 3.49Å; S243-P245 WeakPolarHBondContact O-CD 3.23Å; P245-Q247 PolarHBondContact O-N 2.9Å; P245-H264 WeakPolarHBondContact CB-O 3.36Å; P245-V265 CarbonylContact O-C 3.6Å; P245-V265 VanDerWaalsContact O-CA 3.27Å; P245-V265 WeakPolarHBondContact O-CA 3.42Å; P245-V265 WeakPolarHBondContact O-CG1 3.45Å; P245-Y266 HydrophobicContact CB-CD2 3.86Å; P245-Y266 HydrophobicContact CB-CE2 3.86Å; P245-Y266 HydrophobicContact CG-CD2 4.05Å; P245-Y266 HydrophobicContact CG-CE2 3.84Å; P245-Y266 PolarHBondContact O-N 3.43Å
246	Y	98.9	Very high	98.8	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-67.2	122.4	178.8	173.8	-105.9	0	0	0	111.8	I238 F244 S248 S255 V271 F289 F336 E339 I340 F344	I238-Y246 HydrophobicContact CD1-CD2 3.88Å; I238-Y246 HydrophobicContact CD1-CG 4.34Å; F244-Y246 VanDerWaalsContact CD1-O 3.26Å; F244-Y246 WeakPolarHBondContact CD1-O 3.27Å; F244-Y246 AromaticContact CE1-CD1 3.92Å; F244-Y246 HydrophobicContact CE1-CD1 3.92Å; F244-Y246 HydrophobicContact CE1-CG 4.44Å; F244-Y246 WeakPolarHBondContact CE1-O 3.28Å; F244-Y246 HydrophobicContact CZ-CD1 4.18Å; Y246-S248 PolarHBondContact O-N 2.87Å; Y246-S255 WeakPolarHBondContact O-CB 3.38Å; Y246-V271 HydrophobicContact CD2-CG2 4.27Å; Y246-V271 HydrophobicContact CE2-CG2 4.28Å; Y246-F289 AromaticContact CD1-CE1 3.73Å; Y246-F289 HydrophobicContact CD1-CE1 3.73Å; Y246-F289 AromaticContact CD1-CZ 3.79Å; Y246-F289 HydrophobicContact CD1-CZ 3.79Å; Y246-F289 AromaticContact CD2-CZ 4Å; Y246-F289 HydrophobicContact CD2-CZ 4Å; Y246-F289 HydrophobicContact CE1-CE1 4.33Å; Y246-F289 HydrophobicContact CE1-CZ 4.07Å; Y246-F289 HydrophobicContact CE2-CZ 4.26Å; Y246-F289 AromaticContact CG-CE1 3.84Å; Y246-F289 HydrophobicContact CG-CE1 3.84Å; Y246-F289 AromaticContact CG-CZ 3.75Å; Y246-F289 HydrophobicContact CG-CZ 3.75Å; Y246-F336 HydrophobicContact CD1-CE2 4.33Å; Y246-F336 HydrophobicContact CD1-CZ 4.4Å; Y246-F336 HydrophobicContact CE1-CE2 4.15Å; Y246-F336 HydrophobicContact CE1-CZ 4.37Å; Y246-E339 PolarHBondContact OH-OE1 2.96Å; Y246-I340 HydrophobicContact CD1-CD1 4.48Å; Y246-I340 HydrophobicContact CE1-CD1 3.62Å; Y246-I340 HydrophobicContact CE2-CD1 4.49Å; Y246-I340 WeakPolarHBondContact OH-CD1 3.17Å; Y246-F344 HydrophobicContact CE2-CE2 4.02Å; Y246-F344 HydrophobicContact CE2-CZ 4.35Å
247	Q	98.9	Very high	98.8	Very high	62 Å²	62	35.2 Å²	35.2	29%	0.29	18%	0.178	S	C	.	.			trans	-86.7	96.8	176.5	-169	175.5	8.2	0	0	111.9	P245 V265 Y266	P245-Q247 PolarHBondContact O-N 2.9Å; Q247-V265 HydrophobicContact CB-CG1 3.64Å; Q247-V265 HydrophobicContact CG-CG1 4.31Å; Q247-Y266 VanDerWaalsContact CB-O 3.28Å; Q247-Y266 WeakPolarHBondContact CB-O 3.46Å; Q247-Y266 PolarHBondContact N-O 2.98Å; Q247-Y266 VanDerWaalsContact N-O 3.09Å
248	S	98.9	Very high	98.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	18%	0.178	C	C	.	.			trans	-70.2	138.2	170.7	178.4	0	0	0	0	111.8	Y246 T250 F251 P252 E339	Y246-S248 PolarHBondContact O-N 2.87Å; S248-T250 PolarHBondContact OG-OG1 2.9Å; S248-F251 PolarHBondContact OG-N 3.5Å; S248-P252 WeakPolarHBondContact O-CA 3.45Å; S248-E339 WeakPolarHBondContact CA-OE1 3.25Å; S248-E339 WeakPolarHBondContact CB-OE1 3.4Å; S248-E339 PolarHBondContact OG-OE1 2.95Å; S248-E339 PolarHBondContact OG-OE2 3.1Å
249	I	98.8	Very high	98.8	Very high	115 Å²	115	35.9 Å²	35.9	59%	0.59	18%	0.183	S	C	*	.	S	Bend	trans	-80.7	-44.2	176.6	-63.6	177	0	0	0	110.2	F251 P252 P268 E339	I249-F251 VanDerWaalsContact C-N 3.35Å; I249-P252 WeakPolarHBondContact O-CD 3.41Å; I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CD1-CG 4.03Å; I249-P268 HydrophobicContact CG1-CG 3.97Å; I249-E339 PolarHBondContact N-OE1 3.41Å; I249-E339 PolarHBondContact N-OE2 3.03Å; I249-E339 VanDerWaalsContact N-OE2 3.12Å
250	T	98.8	Very high	98.8	Very high	68 Å²	68	41.5 Å²	41.5	42%	0.417	21%	0.205	S	C	.	.	S	Bend	trans	-72.3	-29.1	179.1	50.8	0	0	0	0	112.3	S248 T335 E339	S248-T250 PolarHBondContact OG-OG1 2.9Å; T250-T335 HydrophobicContact CG2-CG2 4.47Å; T250-E339 VanDerWaalsContact CB-OE2 3.3Å; T250-E339 WeakPolarHBondContact CB-OE2 3.48Å; T250-E339 VanDerWaalsContact CG2-OE2 3.27Å; T250-E339 WeakPolarHBondContact CG2-OE2 3.38Å; T250-E339 PolarHBondContact N-OE2 3.26Å; T250-E339 PolarHBondContact OG1-OE2 3.42Å
251	F	98.8	Very high	98.8	Very high	37 Å²	37	43.6 Å²	43.6	16%	0.162	22%	0.22	C	C	.	.			trans	-128	70.7	177.2	-58.4	-77	0	0	0	113	S248 I249 E253 L254 F332 T335 F336	S248-F251 PolarHBondContact OG-N 3.5Å; I249-F251 VanDerWaalsContact C-N 3.35Å; F251-E253 PolarHBondContact O-N 2.92Å; F251-E253 VanDerWaalsContact O-N 3.09Å; F251-L254 HydrophobicContact CB-CD1 3.58Å; F251-L254 HydrophobicContact CB-CG 3.83Å; F251-L254 HydrophobicContact CG-CD1 4.35Å; F251-L254 WeakPolarHBondContact O-CB 3.4Å; F251-L254 PolarHBondContact O-N 3.37Å; F251-L254 VanDerWaalsContact O-N 3.12Å; F251-F332 HydrophobicContact CB-CE2 4.38Å; F251-F332 AromaticContact CD1-CD2 3.86Å; F251-F332 HydrophobicContact CD1-CD2 3.86Å; F251-F332 AromaticContact CD1-CE2 3.77Å; F251-F332 HydrophobicContact CD1-CE2 3.77Å; F251-F332 HydrophobicContact CD2-CD2 4.21Å; F251-F332 AromaticContact CD2-CE2 3.79Å; F251-F332 HydrophobicContact CD2-CE2 3.79Å; F251-F332 AromaticContact CE1-CD2 3.54Å; F251-F332 HydrophobicContact CE1-CD2 3.54Å; F251-F332 AromaticContact CE1-CE2 3.93Å; F251-F332 HydrophobicContact CE1-CE2 3.93Å; F251-F332 AromaticContact CE2-CD2 3.9Å; F251-F332 HydrophobicContact CE2-CD2 3.9Å; F251-F332 AromaticContact CE2-CE2 3.93Å; F251-F332 HydrophobicContact CE2-CE2 3.93Å; F251-F332 HydrophobicContact CG-CD2 4.19Å; F251-F332 AromaticContact CG-CE2 3.7Å; F251-F332 HydrophobicContact CG-CE2 3.7Å; F251-F332 AromaticContact CZ-CD2 3.55Å; F251-F332 HydrophobicContact CZ-CD2 3.55Å; F251-F332 AromaticContact CZ-CE2 4Å; F251-F332 HydrophobicContact CZ-CE2 4Å; F251-T335 HydrophobicContact CE2-CG2 3.7Å; F251-T335 HydrophobicContact CZ-CG2 3.72Å; F251-F336 HydrophobicContact CD2-CB 4.34Å; F251-F336 HydrophobicContact CD2-CD2 4.16Å; F251-F336 HydrophobicContact CE2-CB 4.05Å
252	P	98.7	Very high	98.7	Very high	56 Å²	56	48.2 Å²	48.2	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-56.4	-33.6	-176.7	-25.8	35.1	0	0	0	113.7	S248 I249 L254 S255 N256	S248-P252 WeakPolarHBondContact O-CA 3.45Å; I249-P252 WeakPolarHBondContact O-CD 3.41Å; P252-L254 PolarHBondContact O-N 3.33Å; P252-S255 PolarHBondContact O-N 2.87Å; P252-S255 PolarHBondContact O-OG 3.29Å; P252-N256 PolarHBondContact O-N 3.39Å; P252-N256 PolarHBondContact O-ND2 3.5Å
253	E	98.8	Very high	98.7	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-21.2	-176.4	-63.4	-57	104.5	0	0	113.9	F251 N256 K257 G301	F251-E253 PolarHBondContact O-N 2.92Å; F251-E253 VanDerWaalsContact O-N 3.09Å; E253-N256 PolarHBondContact OE1-ND2 3.37Å; E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 PolarHBondContact O-N 2.74Å; E253-K257 WeakPolarHBondContact OE2-CE 3.23Å; E253-K257 IonicContact OE2-NZ 3.11Å; E253-G301 WeakPolarHBondContact O-CA 3.19Å
254	L	98.8	Very high	98.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-54.3	174.2	-67.9	173.7	0	0	0	110.5	F244 F251 P252 G258 W298 Q302 F332 F336	F244-L254 HydrophobicContact CD1-CB 3.66Å; F244-L254 HydrophobicContact CE1-CB 3.46Å; F244-L254 VanDerWaalsContact CE1-CB 3.46Å; F244-L254 HydrophobicContact CE1-CD1 3.97Å; F244-L254 HydrophobicContact CE1-CG 4.3Å; F244-L254 HydrophobicContact CE2-CB 4.48Å; F244-L254 HydrophobicContact CE2-CD1 4.36Å; F244-L254 HydrophobicContact CG-CB 4.26Å; F244-L254 HydrophobicContact CZ-CB 3.92Å; F244-L254 HydrophobicContact CZ-CD1 3.68Å; F244-L254 HydrophobicContact CZ-CG 4.3Å; F251-L254 HydrophobicContact CB-CD1 3.58Å; F251-L254 HydrophobicContact CB-CG 3.83Å; F251-L254 HydrophobicContact CG-CD1 4.35Å; F251-L254 WeakPolarHBondContact O-CB 3.4Å; F251-L254 PolarHBondContact O-N 3.37Å; F251-L254 VanDerWaalsContact O-N 3.12Å; P252-L254 PolarHBondContact O-N 3.33Å; L254-G258 WeakPolarHBondContact O-CA 3.2Å; L254-G258 PolarHBondContact O-N 2.8Å; L254-W298 HydrophobicContact CD2-CB 4.48Å; L254-Q302 HydrophobicContact CD2-CB 4Å; L254-F332 HydrophobicContact CD1-CE2 4.12Å; L254-F332 HydrophobicContact CD1-CZ 3.91Å; L254-F332 HydrophobicContact CD2-CE2 4.41Å; L254-F332 HydrophobicContact CD2-CZ 4.1Å; L254-F336 HydrophobicContact CD1-CD2 3.97Å; L254-F336 HydrophobicContact CD1-CE2 3.79Å
255	S	98.8	Very high	98.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-76.2	-38.6	176.5	66	0	0	0	0	113.2	F244 Y246 P252 K257 G258 S259	F244-S255 WeakPolarHBondContact O-CA 3.11Å; Y246-S255 WeakPolarHBondContact O-CB 3.38Å; P252-S255 PolarHBondContact O-N 2.87Å; P252-S255 PolarHBondContact O-OG 3.29Å; S255-K257 PolarHBondContact O-N 3.16Å; S255-K257 VanDerWaalsContact O-N 3.15Å; S255-G258 PolarHBondContact O-N 3.2Å; S255-S259 VanDerWaalsContact O-CB 3.23Å; S255-S259 WeakPolarHBondContact O-CB 3.41Å; S255-S259 PolarHBondContact O-N 2.91Å; S255-S259 PolarHBondContact O-OG 3.43Å
256	N	98.6	Very high	98.7	Very high	72 Å²	72	52.6 Å²	52.6	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-30.3	-177.7	-67	-17.7	0	0	0	112.5	P252 E253	P252-N256 PolarHBondContact O-N 3.39Å; P252-N256 PolarHBondContact O-ND2 3.5Å; E253-N256 PolarHBondContact OE1-ND2 3.37Å
257	K	98.7	Very high	98.7	Very high	117 Å²	117	54.6 Å²	54.6	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-111.8	-22.2	179.6	-61.3	-176.2	178.5	-72.4	0	113.7	E253 S255 K300	E253-K257 WeakPolarHBondContact O-CB 3.32Å; E253-K257 PolarHBondContact O-N 2.74Å; E253-K257 WeakPolarHBondContact OE2-CE 3.23Å; E253-K257 IonicContact OE2-NZ 3.11Å; S255-K257 PolarHBondContact O-N 3.16Å; S255-K257 VanDerWaalsContact O-N 3.15Å; K257-K300 HydrophobicContact CB-CB 3.92Å; K257-K300 WeakPolarHBondContact CB-O 3.4Å; K257-K300 WeakPolarHBondContact CD-O 3.49Å; K257-K300 WeakPolarHBondContact O-CB 3.39Å; K257-K300 WeakPolarHBondContact O-CD 3.39Å
258	G	98.7	Very high	98.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-94.8	-26.3	-175.3	0	0	0	0	0	114.9	S243 F244 L254 S255	S243-G258 CarbonylContact C-O 3.55Å; S243-G258 VanDerWaalsContact CA-O 3.32Å; S243-G258 WeakPolarHBondContact CA-O 3.39Å; F244-G258 PolarHBondContact N-O 2.93Å; L254-G258 WeakPolarHBondContact O-CA 3.2Å; L254-G258 PolarHBondContact O-N 2.8Å; S255-G258 PolarHBondContact O-N 3.2Å
259	S	98.7	Very high	98.7	Very high	15 Å²	15	57.4 Å²	57.4	11%	0.105	31%	0.306	C	S	.	.	S	Bend	trans	-68.6	158	177.4	63.8	0	0	0	0	112.2	F244 S255 S261	F244-S259 PolarHBondContact O-N 3.33Å; S255-S259 VanDerWaalsContact O-CB 3.23Å; S255-S259 WeakPolarHBondContact O-CB 3.41Å; S255-S259 PolarHBondContact O-N 2.91Å; S255-S259 PolarHBondContact O-OG 3.43Å; S259-S261 VanDerWaalsContact C-N 3.28Å; S259-S261 PolarHBondContact O-N 3.44Å; S259-S261 PolarHBondContact OG-O 3.4Å
260	Y	98.7	Very high	98.7	Very high	117 Å²	117	53.6 Å²	53.6	46%	0.459	29%	0.287	S	S	.	.	S	Bend	trans	-60	-40.7	173.1	-78.8	-56.1	0	0	0	112.2	S210 R211 Q242 S243	S210-Y260 VanDerWaalsContact O-CE2 3.23Å; S210-Y260 WeakPolarHBondContact O-CE2 3.4Å; S210-Y260 PolarHBondContact O-OH 2.97Å; R211-Y260 PolarHBondContact O-OH 3.39Å; Q242-Y260 WeakPolarHBondContact CB-OH 3.39Å; S243-Y260 WeakPolarHBondContact OG-CE2 3.44Å
261	S	98.6	Very high	98.7	Very high	45 Å²	45	50.4 Å²	50.4	32%	0.315	27%	0.267	S	S	.	.	S	Bend	trans	-161.8	172.1	168.1	82.6	0	0	0	0	109.4	S259 S263 H264	S259-S261 VanDerWaalsContact C-N 3.28Å; S259-S261 PolarHBondContact O-N 3.44Å; S259-S261 PolarHBondContact OG-O 3.4Å; S261-S263 PolarHBondContact O-N 2.67Å; S261-S263 PolarHBondContact OG-N 3.42Å; S261-S263 PolarHBondContact OG-OG 3.21Å; S261-H264 PolarHBondContact O-N 3.07Å; S261-H264 PolarHBondContact OG-CE1 2.81Å; S261-H264 PolarHBondContact OG-ND1 3.38Å
262	L	97.9	Very high	98.7	Very high	139 Å²	139	55.4 Å²	55.4	73%	0.728	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.1	176.3	-60.9	177.2	0	0	0	114.5
263	S	98.2	Very high	98.7	Very high	85 Å²	85	56.9 Å²	56.9	59%	0.594	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.7	174.7	64.3	0	0	0	0	113.8	S261	S261-S263 PolarHBondContact O-N 2.67Å; S261-S263 PolarHBondContact OG-N 3.42Å; S261-S263 PolarHBondContact OG-OG 3.21Å
264	H	98.8	Very high	98.7	Very high	70 Å²	70	53 Å²	53	32%	0.324	27%	0.27	S	S	.	.	S	Bend	trans	-114.9	55.8	179.5	-58.7	91.6	0	0	0	109.3	Y213 P245 S261	Y213-H264 HydrophobicContact CD1-CB 4.34Å; Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 HydrophobicContact CD2-CB 3.96Å; Y213-H264 HydrophobicContact CG-CB 3.83Å; Y213-H264 AromaticContact CG-CD2 3.8Å; P245-H264 WeakPolarHBondContact CB-O 3.36Å; S261-H264 PolarHBondContact O-N 3.07Å; S261-H264 PolarHBondContact OG-CE1 2.81Å; S261-H264 PolarHBondContact OG-ND1 3.38Å
265	V	98.8	Very high	98.7	Very high	17 Å²	17	53.5 Å²	53.5	10%	0.103	27%	0.273	C	S	.	.			trans	-131.4	145.9	-175.2	-179.6	0	0	0	0	108.2	Y213 P245 Q247	Y213-V265 PolarHBondContact OH-O 3.4Å; P245-V265 CarbonylContact O-C 3.6Å; P245-V265 VanDerWaalsContact O-CA 3.27Å; P245-V265 WeakPolarHBondContact O-CA 3.42Å; P245-V265 WeakPolarHBondContact O-CG1 3.45Å; Q247-V265 HydrophobicContact CB-CG1 3.64Å; Q247-V265 HydrophobicContact CG-CG1 4.31Å
266	Y	98.9	Very high	98.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-99.4	105.1	165.1	-57.8	-63	0	0	0	108.4	T209 Y213 L214 V216 I219 W236 I238 P245 Q247 D270	T209-Y266 WeakPolarHBondContact CB-OH 3.44Å; T209-Y266 HydrophobicContact CG2-CE2 4.24Å; T209-Y266 WeakPolarHBondContact CG2-OH 3.4Å; T209-Y266 WeakPolarHBondContact OG1-CE2 3.46Å; Y213-Y266 HydrophobicContact CD2-CE1 4.2Å; Y213-Y266 HydrophobicContact CD2-CE2 4.19Å; Y213-Y266 AromaticContact CD2-CZ 3.8Å; Y213-Y266 AromaticContact CE2-CD1 3.92Å; Y213-Y266 HydrophobicContact CE2-CD1 3.92Å; Y213-Y266 HydrophobicContact CE2-CD2 4.49Å; Y213-Y266 AromaticContact CE2-CE1 3.42Å; Y213-Y266 HydrophobicContact CE2-CE1 3.42Å; Y213-Y266 VanDerWaalsContact CE2-CE1 3.42Å; Y213-Y266 HydrophobicContact CE2-CE2 4.06Å; Y213-Y266 HydrophobicContact CE2-CG 4.42Å; Y213-Y266 AromaticContact CE2-CZ 3.5Å; Y213-Y266 VanDerWaalsContact CE2-CZ 3.5Å; Y213-Y266 AromaticContact CZ-CE1 3.85Å; L214-Y266 PolarHBondContact N-OH 3.33Å; L214-Y266 WeakPolarHBondContact O-CE1 3.35Å; L214-Y266 PolarHBondContact O-OH 2.9Å; V216-Y266 HydrophobicContact CG2-CD1 4.17Å; V216-Y266 HydrophobicContact CG2-CE1 4.34Å; I219-Y266 HydrophobicContact CD1-CE1 3.83Å; W236-Y266 HydrophobicContact CH2-CD1 4.35Å; W236-Y266 HydrophobicContact CH2-CD2 4.41Å; W236-Y266 HydrophobicContact CH2-CG 4.22Å; W236-Y266 HydrophobicContact CZ2-CD1 4.07Å; W236-Y266 AromaticContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CE1 4.04Å; W236-Y266 AromaticContact CZ2-CE2 3.69Å; W236-Y266 HydrophobicContact CZ2-CE2 3.69Å; W236-Y266 AromaticContact CZ2-CG 3.9Å; W236-Y266 HydrophobicContact CZ2-CG 3.9Å; W236-Y266 AromaticContact CZ2-CZ 3.85Å; I238-Y266 HydrophobicContact CD1-CD2 4.19Å; I238-Y266 HydrophobicContact CG1-CD2 4.08Å; I238-Y266 HydrophobicContact CG1-CE2 4.33Å; P245-Y266 HydrophobicContact CB-CD2 3.86Å; P245-Y266 HydrophobicContact CB-CE2 3.86Å; P245-Y266 HydrophobicContact CG-CD2 4.05Å; P245-Y266 HydrophobicContact CG-CE2 3.84Å; P245-Y266 PolarHBondContact O-N 3.43Å; Q247-Y266 VanDerWaalsContact CB-O 3.28Å; Q247-Y266 WeakPolarHBondContact CB-O 3.46Å; Q247-Y266 PolarHBondContact N-O 2.98Å; Q247-Y266 VanDerWaalsContact N-O 3.09Å; Y266-D270 HydrophobicContact CD1-CB 4.39Å
267	T	98.9	Very high	98.7	Very high	48 Å²	48	56.3 Å²	56.3	29%	0.294	28%	0.281	S	S	.	.			trans	-65	162.9	174.3	69	0	0	0	0	110.2	N269 D270 V271	T267-N269 PolarHBondContact O-N 2.71Å; T267-N269 PolarHBondContact OG1-N 2.62Å; T267-D270 WeakPolarHBondContact CB-OD2 3.47Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.35Å; T267-D270 PolarHBondContact N-OD2 2.88Å; T267-D270 PolarHBondContact O-N 3.24Å; T267-D270 PolarHBondContact OG1-N 2.69Å; T267-D270 VanDerWaalsContact OG1-N 3.16Å; T267-D270 PolarHBondContact OG1-OD2 3.36Å; T267-V271 PolarHBondContact O-N 3.39Å
268	P	98.8	Very high	98.7	Very high	34 Å²	34	50.8 Å²	50.8	22%	0.221	26%	0.257	C	S	.	.	H	α-helix	trans	-54.1	-25.2	171	-28.7	36.8	0	0	0	113.6	I249 R272	I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CD1-CG 4.03Å; I249-P268 HydrophobicContact CG1-CG 3.97Å; P268-R272 WeakPolarHBondContact O-CB 3.47Å; P268-R272 WeakPolarHBondContact O-CG 3.35Å; P268-R272 VanDerWaalsContact O-CZ 3.31Å; P268-R272 PolarHBondContact O-N 3.1Å; P268-R272 PolarHBondContact O-NE 3.01Å
269	N	98.8	Very high	98.8	Very high	88 Å²	88	51.6 Å²	51.6	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-78.8	-37.4	176	-164	70.9	0	0	0	113.2	T267 R272 M273	T267-N269 PolarHBondContact O-N 2.71Å; T267-N269 PolarHBondContact OG1-N 2.62Å; N269-R272 PolarHBondContact O-N 3.45Å; N269-R272 PolarHBondContact OD1-NH1 2.99Å; N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 3.02Å
270	D	98.9	Very high	98.8	Very high	35 Å²	35	52.2 Å²	52.2	19%	0.187	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-45.8	174.6	-60.6	-45.9	0	0	0	110.5	V216 Y266 T267 R272 M273 V274	V216-D270 HydrophobicContact CG2-CB 3.69Å; Y266-D270 HydrophobicContact CD1-CB 4.39Å; T267-D270 WeakPolarHBondContact CB-OD2 3.47Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.35Å; T267-D270 PolarHBondContact N-OD2 2.88Å; T267-D270 PolarHBondContact O-N 3.24Å; T267-D270 PolarHBondContact OG1-N 2.69Å; T267-D270 VanDerWaalsContact OG1-N 3.16Å; T267-D270 PolarHBondContact OG1-OD2 3.36Å; D270-R272 PolarHBondContact O-N 2.85Å; D270-M273 WeakPolarHBondContact O-CB 3.38Å; D270-M273 PolarHBondContact O-N 2.83Å; D270-M273 VanDerWaalsContact O-N 3.16Å; D270-V274 WeakPolarHBondContact O-CG2 3.4Å; D270-V274 PolarHBondContact O-N 3.22Å
271	V	98.9	Very high	98.8	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-46.6	176.5	177.9	0	0	0	0	110.8	W236 Y246 T267 M273 V274 I275 V343 F344	W236-V271 HydrophobicContact CH2-CG2 4.44Å; Y246-V271 HydrophobicContact CD2-CG2 4.27Å; Y246-V271 HydrophobicContact CE2-CG2 4.28Å; T267-V271 PolarHBondContact O-N 3.39Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 3.18Å; V271-V274 PolarHBondContact O-N 3.43Å; V271-I275 HydrophobicContact CG1-CD1 3.66Å; V271-I275 HydrophobicContact CG1-CG1 4.43Å; V271-I275 WeakPolarHBondContact O-CB 3.42Å; V271-I275 VanDerWaalsContact O-CG1 3.26Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 3.01Å; V271-V343 HydrophobicContact CG1-CG1 3.76Å; V271-F344 HydrophobicContact CG1-CE1 3.81Å; V271-F344 HydrophobicContact CG1-CE2 4.3Å; V271-F344 HydrophobicContact CG1-CZ 3.65Å
272	R	98.9	Very high	98.8	Very high	141 Å²	141	45.1 Å²	45.1	53%	0.532	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-41	174.2	-83.2	-175.6	-106.7	107	-3.2	112.8	P268 N269 D270 I275 E276	P268-R272 WeakPolarHBondContact O-CB 3.47Å; P268-R272 WeakPolarHBondContact O-CG 3.35Å; P268-R272 VanDerWaalsContact O-CZ 3.31Å; P268-R272 PolarHBondContact O-N 3.1Å; P268-R272 PolarHBondContact O-NE 3.01Å; N269-R272 PolarHBondContact O-N 3.45Å; N269-R272 PolarHBondContact OD1-NH1 2.99Å; D270-R272 PolarHBondContact O-N 2.85Å; R272-I275 PolarHBondContact O-N 2.78Å; R272-E276 WeakPolarHBondContact O-CB 3.47Å; R272-E276 PolarHBondContact O-N 2.8Å
273	M	98.9	Very high	98.8	Very high	87 Å²	87	38.6 Å²	38.6	43%	0.429	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-46.8	178.6	-175	-179.2	-63.6	0	0	111.5	V216 L220 N269 D270 V271 E276 Y277	V216-M273 HydrophobicContact CG1-SD 4.04Å; L220-M273 HydrophobicContact CD1-CG 4.42Å; L220-M273 HydrophobicContact CD1-SD 4.1Å; N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 3.02Å; D270-M273 WeakPolarHBondContact O-CB 3.38Å; D270-M273 PolarHBondContact O-N 2.83Å; D270-M273 VanDerWaalsContact O-N 3.16Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 3.18Å; M273-E276 PolarHBondContact O-N 3.34Å; M273-Y277 WeakPolarHBondContact O-CB 2.98Å; M273-Y277 PolarHBondContact O-N 3.01Å
274	V	98.9	Very high	98.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-46.6	177.3	173.1	0	0	0	0	110.7	V216 I219 L220 L223 L234 W236 D270 V271 Y277 A278 V285	V216-V274 HydrophobicContact CG1-CG2 4.11Å; I219-V274 HydrophobicContact CB-CG2 4.49Å; I219-V274 HydrophobicContact CG2-CG1 3.78Å; I219-V274 HydrophobicContact CG2-CG2 4.02Å; L220-V274 HydrophobicContact CD2-CG2 4.19Å; L223-V274 HydrophobicContact CD1-CG1 4.23Å; L234-V274 HydrophobicContact CD2-CG1 4.08Å; W236-V274 HydrophobicContact CE3-CG1 4.09Å; W236-V274 HydrophobicContact CH2-CB 4.26Å; W236-V274 HydrophobicContact CH2-CG1 4.28Å; W236-V274 HydrophobicContact CH2-CG2 4.02Å; W236-V274 HydrophobicContact CZ3-CB 3.88Å; W236-V274 HydrophobicContact CZ3-CG1 3.66Å; W236-V274 HydrophobicContact CZ3-CG2 4.16Å; D270-V274 WeakPolarHBondContact O-CG2 3.4Å; D270-V274 PolarHBondContact O-N 3.22Å; V271-V274 PolarHBondContact O-N 3.43Å; V274-Y277 PolarHBondContact O-N 3.26Å; V274-A278 VanDerWaalsContact O-CB 3.27Å; V274-A278 WeakPolarHBondContact O-CB 3.09Å; V274-A278 PolarHBondContact O-N 3.2Å; V274-V285 HydrophobicContact CG1-CG2 4.45Å
275	I	98.9	Very high	98.9	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-49.8	179.2	-71.9	168.5	0	0	0	111.5	F140 V271 R272 A278 R279 V285 F344 P345	F140-I275 HydrophobicContact CD1-CG2 4.3Å; F140-I275 HydrophobicContact CE1-CG2 3.4Å; F140-I275 HydrophobicContact CZ-CG2 3.95Å; V271-I275 HydrophobicContact CG1-CD1 3.66Å; V271-I275 HydrophobicContact CG1-CG1 4.43Å; V271-I275 WeakPolarHBondContact O-CB 3.42Å; V271-I275 VanDerWaalsContact O-CG1 3.26Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 3.01Å; R272-I275 PolarHBondContact O-N 2.78Å; I275-A278 PolarHBondContact O-N 2.87Å; I275-R279 WeakPolarHBondContact O-CB 3.43Å; I275-R279 PolarHBondContact O-N 3.12Å; I275-V285 HydrophobicContact CG1-CB 4.18Å; I275-V285 HydrophobicContact CG1-CG1 4.3Å; I275-V285 HydrophobicContact CG1-CG2 4.23Å; I275-F344 HydrophobicContact CD1-CD1 3.82Å; I275-F344 HydrophobicContact CD1-CE1 4.14Å; I275-F344 HydrophobicContact CD1-CG 4.43Å; I275-F344 HydrophobicContact CG1-CD1 4.4Å; I275-P345 HydrophobicContact CG2-CG 3.74Å
276	E	98.9	Very high	98.9	Very high	71 Å²	71	31 Å²	31	33%	0.332	15%	0.148	S	C	.	.	H	α-helix	trans	-69.5	-39.1	-178.9	-177.3	58.3	-165	0	0	111.8	R272 M273 A278 R279 L280	R272-E276 WeakPolarHBondContact O-CB 3.47Å; R272-E276 PolarHBondContact O-N 2.8Å; M273-E276 PolarHBondContact O-N 3.34Å; E276-A278 VanDerWaalsContact C-N 3.29Å; E276-A278 PolarHBondContact O-N 2.96Å; E276-R279 VanDerWaalsContact CD-NE 3.33Å; E276-R279 WeakPolarHBondContact O-CB 3.23Å; E276-R279 PolarHBondContact O-N 3.01Å; E276-R279 IonicContact OE1-CZ 3.49Å; E276-R279 IonicContact OE1-NE 3.38Å; E276-R279 PolarHBondContact OE1-NE 3.03Å; E276-R279 VanDerWaalsContact OE1-NE 3.16Å; E276-R279 IonicContact OE1-NH2 2.73Å; E276-R279 PolarHBondContact OE1-NH2 3.07Å; E276-R279 WeakPolarHBondContact OE2-CD 3.25Å; E276-R279 IonicContact OE2-CZ 3.41Å; E276-R279 IonicContact OE2-NE 3.97Å; E276-R279 PolarHBondContact OE2-NE 3.49Å; E276-R279 IonicContact OE2-NH2 2.86Å; E276-L280 HydrophobicContact CG-CD1 4.34Å; E276-L280 WeakPolarHBondContact O-CG 3.05Å; E276-L280 PolarHBondContact O-N 2.89Å
277	Y	98.9	Very high	98.9	Very high	62 Å²	62	31 Å²	31	24%	0.243	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-36.9	177.7	-162.8	-91.7	0	0	0	112.3	L220 L223 D224 M273 V274 R281	L220-Y277 HydrophobicContact CB-CD1 4.08Å; L220-Y277 HydrophobicContact CB-CE1 3.87Å; L220-Y277 HydrophobicContact CD1-CD2 4.23Å; L220-Y277 HydrophobicContact CD1-CE2 4.35Å; L220-Y277 HydrophobicContact CD1-CG 4.45Å; L220-Y277 HydrophobicContact CD2-CD1 3.88Å; L220-Y277 HydrophobicContact CD2-CD2 4.36Å; L220-Y277 HydrophobicContact CD2-CG 3.77Å; L220-Y277 HydrophobicContact CG-CD1 4.43Å; L220-Y277 HydrophobicContact CG-CG 4.44Å; L220-Y277 WeakPolarHBondContact O-CE1 3.23Å; L223-Y277 HydrophobicContact CB-CD1 4.01Å; L223-Y277 HydrophobicContact CB-CE1 4.27Å; L223-Y277 HydrophobicContact CD1-CD1 3.88Å; D224-Y277 PolarHBondContact OD1-OH 3.45Å; D224-Y277 PolarHBondContact OD2-OH 2.88Å; M273-Y277 WeakPolarHBondContact O-CB 2.98Å; M273-Y277 PolarHBondContact O-N 3.01Å; V274-Y277 PolarHBondContact O-N 3.26Å; Y277-R281 VanDerWaalsContact CE1-NH1 3.29Å; Y277-R281 PolarHBondContact O-NH1 2.84Å; Y277-R281 VanDerWaalsContact O-NH1 3.1Å; Y277-R281 PolarHBondContact OH-NH2 2.88Å
278	A	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-46.4	172.2	0	0	0	0	0	111.1	L223 V274 I275 E276 L280 R281 G282 I283 V285	L223-A278 HydrophobicContact CD1-CB 3.85Å; L223-A278 HydrophobicContact CD2-CB 3.74Å; L223-A278 HydrophobicContact CG-CB 4.45Å; V274-A278 VanDerWaalsContact O-CB 3.27Å; V274-A278 WeakPolarHBondContact O-CB 3.09Å; V274-A278 PolarHBondContact O-N 3.2Å; I275-A278 PolarHBondContact O-N 2.87Å; E276-A278 VanDerWaalsContact C-N 3.29Å; E276-A278 PolarHBondContact O-N 2.96Å; A278-L280 VanDerWaalsContact C-N 3.34Å; A278-L280 PolarHBondContact O-N 3.07Å; A278-R281 CarbonylContact O-C 3.5Å; A278-R281 WeakPolarHBondContact O-CA 3.48Å; A278-R281 WeakPolarHBondContact O-CB 3.44Å; A278-R281 PolarHBondContact O-N 2.96Å; A278-G282 PolarHBondContact O-N 2.89Å; A278-G282 VanDerWaalsContact O-N 3.16Å; A278-I283 CarbonylContact C-O 3.59Å; A278-I283 VanDerWaalsContact C-O 3.27Å; A278-I283 HydrophobicContact CB-CB 3.98Å; A278-I283 HydrophobicContact CB-CG2 4.17Å; A278-I283 WeakPolarHBondContact CB-O 3.32Å; A278-I283 PolarHBondContact O-N 3.25Å; A278-V285 HydrophobicContact CB-CG2 3.55Å
279	R	98.9	Very high	98.9	Very high	17 Å²	17	27.1 Å²	27.1	6%	0.064	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-44.7	178.2	-167.9	-166.3	72.6	80.7	-0.4	112.4	C137 A139 F140 I275 E276 R281 G282	C137-R279 PolarHBondContact O-NH1 2.88Å; A139-R279 WeakPolarHBondContact O-CD 3.46Å; A139-R279 PolarHBondContact O-NH1 3.21Å; F140-R279 HydrophobicContact CD1-CB 3.89Å; F140-R279 HydrophobicContact CD1-CG 3.56Å; F140-R279 HydrophobicContact CE1-CB 3.84Å; F140-R279 HydrophobicContact CE1-CG 3.8Å; F140-R279 HydrophobicContact CG-CG 4.22Å; I275-R279 WeakPolarHBondContact O-CB 3.43Å; I275-R279 PolarHBondContact O-N 3.12Å; E276-R279 VanDerWaalsContact CD-NE 3.33Å; E276-R279 WeakPolarHBondContact O-CB 3.23Å; E276-R279 PolarHBondContact O-N 3.01Å; E276-R279 IonicContact OE1-CZ 3.49Å; E276-R279 IonicContact OE1-NE 3.38Å; E276-R279 PolarHBondContact OE1-NE 3.03Å; E276-R279 VanDerWaalsContact OE1-NE 3.16Å; E276-R279 IonicContact OE1-NH2 2.73Å; E276-R279 PolarHBondContact OE1-NH2 3.07Å; E276-R279 WeakPolarHBondContact OE2-CD 3.25Å; E276-R279 IonicContact OE2-CZ 3.41Å; E276-R279 IonicContact OE2-NE 3.97Å; E276-R279 PolarHBondContact OE2-NE 3.49Å; E276-R279 IonicContact OE2-NH2 2.86Å; R279-R281 PolarHBondContact O-N 3.37Å; R279-G282 PolarHBondContact O-N 2.72Å
280	L	98.9	Very high	98.9	Very high	28 Å²	28	23 Å²	23	15%	0.147	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.4	176.4	-68.1	172.4	0	0	0	113.8	L93 E276 A278	L93-L280 HydrophobicContact CB-CD2 3.99Å; L93-L280 HydrophobicContact CG-CD2 4.42Å; E276-L280 HydrophobicContact CG-CD1 4.34Å; E276-L280 WeakPolarHBondContact O-CG 3.05Å; E276-L280 PolarHBondContact O-N 2.89Å; A278-L280 VanDerWaalsContact C-N 3.34Å; A278-L280 PolarHBondContact O-N 3.07Å
281	R	98.9	Very high	98.9	Very high	14 Å²	14	21.3 Å²	21.3	5%	0.053	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	4.4	173.4	-73.3	161.5	-179.1	69.1	6.2	112.9	L169 R170 D224 A227 Y277 A278 R279 I283	L169-R281 VanDerWaalsContact CD1-C 3.47Å; R170-R281 PolarHBondContact NH1-O 2.67Å; D224-R281 IonicContact OD1-CZ 3.51Å; D224-R281 IonicContact OD1-NE 2.68Å; D224-R281 PolarHBondContact OD1-NE 3.06Å; D224-R281 IonicContact OD1-NH2 3.35Å; D224-R281 PolarHBondContact OD1-NH2 3.34Å; D224-R281 IonicContact OD2-NH2 3.12Å; A227-R281 HydrophobicContact CB-CB 4.11Å; A227-R281 HydrophobicContact CB-CG 4.03Å; Y277-R281 VanDerWaalsContact CE1-NH1 3.29Å; Y277-R281 PolarHBondContact O-NH1 2.84Å; Y277-R281 VanDerWaalsContact O-NH1 3.1Å; Y277-R281 PolarHBondContact OH-NH2 2.88Å; A278-R281 CarbonylContact O-C 3.5Å; A278-R281 WeakPolarHBondContact O-CA 3.48Å; A278-R281 WeakPolarHBondContact O-CB 3.44Å; A278-R281 PolarHBondContact O-N 2.96Å; R279-R281 PolarHBondContact O-N 3.37Å; R281-I283 VanDerWaalsContact C-N 3.28Å; R281-I283 HydrophobicContact CB-CD1 3.84Å; R281-I283 HydrophobicContact CB-CG1 4.05Å
282	G	98.9	Very high	98.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	37.8	-174.4	0	0	0	0	0	111.7	R170 A278 R279	R170-G282 PolarHBondContact NH2-O 2.89Å; A278-G282 PolarHBondContact O-N 2.89Å; A278-G282 VanDerWaalsContact O-N 3.16Å; R279-G282 PolarHBondContact O-N 2.72Å
283	I	99	Very high	98.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.07	C	C	.	.			trans	-110.3	129.5	176.5	-60.4	169.2	0	0	0	108.1	L223 M226 N232 L234 A278 R281	L223-I283 HydrophobicContact CB-CD1 4.34Å; L223-I283 HydrophobicContact CD2-CB 4.25Å; L223-I283 HydrophobicContact CD2-CD1 3.87Å; L223-I283 HydrophobicContact CD2-CG2 3.73Å; L223-I283 WeakPolarHBondContact O-CD1 3.47Å; M226-I283 HydrophobicContact CB-CD1 3.74Å; M226-I283 HydrophobicContact CE-CD1 4.36Å; M226-I283 HydrophobicContact CE-CG2 3.72Å; N232-I283 CarbonylContact O-C 3.57Å; N232-I283 WeakPolarHBondContact O-CA 3.43Å; L234-I283 HydrophobicContact CB-CG2 4.2Å; A278-I283 CarbonylContact C-O 3.59Å; A278-I283 VanDerWaalsContact C-O 3.27Å; A278-I283 HydrophobicContact CB-CB 3.98Å; A278-I283 HydrophobicContact CB-CG2 4.17Å; A278-I283 WeakPolarHBondContact CB-O 3.32Å; A278-I283 PolarHBondContact O-N 3.25Å; R281-I283 VanDerWaalsContact C-N 3.28Å; R281-I283 HydrophobicContact CB-CD1 3.84Å; R281-I283 HydrophobicContact CB-CG1 4.05Å
284	R	99	Very high	98.8	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.019	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	143.3	171.7	-67.7	166.9	60.1	-141.4	-9.3	109.7	P141 H202 N232 V233 L234 D346	P141-R284 HydrophobicContact CB-CG 4.12Å; P141-R284 HydrophobicContact CG-CG 3.88Å; P141-R284 WeakPolarHBondContact O-CG 3.46Å; H202-R284 PolarHBondContact ND1-NH1 3.43Å; N232-R284 WeakPolarHBondContact O-CB 3.22Å; N232-R284 PolarHBondContact O-N 3.19Å; V233-R284 HydrophobicContact CG2-CB 4.24Å; L234-R284 PolarHBondContact N-O 2.85Å; R284-D346 VanDerWaalsContact CB-OD2 3.32Å; R284-D346 WeakPolarHBondContact CB-OD2 3.43Å; R284-D346 WeakPolarHBondContact CG-OD2 3.37Å; R284-D346 IonicContact CZ-OD1 2.74Å; R284-D346 IonicContact CZ-OD2 3.88Å; R284-D346 IonicContact NE-OD1 3.19Å; R284-D346 IonicContact NE-OD2 3.31Å; R284-D346 PolarHBondContact NE-OD2 3.38Å; R284-D346 IonicContact NH2-OD1 3.16Å; R284-D346 PolarHBondContact NH2-OD1 2.9Å; R284-D346 IonicContact NH2-OD2 3.43Å; R284-D346 PolarHBondContact NH2-OD2 2.81Å
285	V	99	Very high	98.8	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.042	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103	170.1	-178.5	0	0	0	0	107.3	W236 V274 I275 A278 P287 F344 D346	W236-V285 HydrophobicContact CE3-CG1 3.88Å; V274-V285 HydrophobicContact CG1-CG2 4.45Å; I275-V285 HydrophobicContact CG1-CB 4.18Å; I275-V285 HydrophobicContact CG1-CG1 4.3Å; I275-V285 HydrophobicContact CG1-CG2 4.23Å; A278-V285 HydrophobicContact CB-CG2 3.55Å; V285-P287 WeakPolarHBondContact O-CD 3.28Å; V285-F344 HydrophobicContact CG1-CD1 4.21Å; V285-F344 HydrophobicContact CG1-CE1 4.17Å; V285-D346 WeakPolarHBondContact O-CB 3.44Å
286	L	98.9	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	106.7	177.4	169.4	64.9	0	0	0	107.7	V233 L234 H235 W236 F348 H350 I403	V233-L286 HydrophobicContact CG1-CB 3.85Å; V233-L286 HydrophobicContact CG1-CD2 4.24Å; L234-L286 PolarHBondContact O-N 2.98Å; H235-L286 HydrophobicContact CB-CD2 4.4Å; W236-L286 PolarHBondContact N-O 2.74Å; L286-F348 HydrophobicContact CD1-CB 3.85Å; L286-F348 WeakPolarHBondContact CD1-O 3.45Å; L286-H350 HydrophobicContact CD1-CB 4.31Å; L286-H350 HydrophobicContact CG-CB 4.34Å; L286-I403 HydrophobicContact CD1-CD1 4.04Å; L286-I403 HydrophobicContact CD2-CD1 3.73Å
287	P	98.9	Very high	98.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136	177	32	-35.1	0	0	0	110.4	V285 F289 I340 F344 I349 H350	V285-P287 WeakPolarHBondContact O-CD 3.28Å; P287-F289 HydrophobicContact CB-CD2 4.17Å; P287-F289 HydrophobicContact CB-CE2 3.9Å; P287-I340 HydrophobicContact CG-CG2 4.25Å; P287-F344 HydrophobicContact CB-CD1 3.79Å; P287-F344 HydrophobicContact CB-CD2 4.02Å; P287-F344 HydrophobicContact CB-CE1 3.86Å; P287-F344 HydrophobicContact CB-CE2 4.07Å; P287-F344 HydrophobicContact CB-CG 3.88Å; P287-F344 HydrophobicContact CB-CZ 3.99Å; P287-F344 HydrophobicContact CG-CB 3.79Å; P287-F344 HydrophobicContact CG-CD1 3.85Å; P287-F344 HydrophobicContact CG-CD2 4Å; P287-F344 HydrophobicContact CG-CE1 4.42Å; P287-F344 HydrophobicContact CG-CG 3.61Å; P287-I349 HydrophobicContact CG-CG1 4.36Å; P287-H350 PolarHBondContact O-N 2.96Å
288	E	99	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.4	164.3	-179.7	168.3	-151.3	0	0	110.7	H235 W236 H237 I238 D290 H350 G352 W405	H235-E288 IonicContact CD2-OE2 3.64Å; H235-E288 IonicContact CE1-OE2 3.12Å; H235-E288 WeakPolarHBondContact NE2-CB 3.18Å; H235-E288 IonicContact NE2-OE2 3.74Å; H235-E288 PolarHBondContact NE2-OE2 3.44Å; W236-E288 PolarHBondContact O-N 3.04Å; H237-E288 IonicContact CE1-OE2 2.74Å; H237-E288 IonicContact CG-OE2 3.8Å; H237-E288 IonicContact ND1-OE1 3.26Å; H237-E288 IonicContact ND1-OE2 3.98Å; H237-E288 PolarHBondContact ND1-OE2 3.22Å; I238-E288 WeakPolarHBondContact CG2-O 3.28Å; I238-E288 PolarHBondContact N-O 2.78Å; E288-D290 HydrophobicContact CG-CB 4.25Å; E288-H350 WeakPolarHBondContact CA-O 3.49Å; E288-H350 HydrophobicContact CB-CB 3.74Å; E288-H350 VanDerWaalsContact CD-ND1 3.28Å; E288-H350 HydrophobicContact CG-CB 3.97Å; E288-H350 IonicContact OE1-CE1 3.66Å; E288-H350 PolarHBondContact OE1-CE1 2.03Å; E288-H350 VanDerWaalsContact OE1-CE1 3.32Å; E288-H350 IonicContact OE1-CG 3.81Å; E288-H350 IonicContact OE1-ND1 3.99Å; E288-H350 PolarHBondContact OE1-ND1 3.05Å; E288-G352 VanDerWaalsContact OE1-CA 3.3Å; E288-G352 WeakPolarHBondContact OE1-CA 3.33Å; E288-W405 PolarHBondContact OE1-NE1 2.97Å
289	F	98.9	Very high	98.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.056	C	C	.	.			trans	-123.4	80.3	170	-74	-82.8	0	0	0	107.2	I238 V239 F244 Y246 P287 T291 W298 F336 F337 I340 F344 H350	I238-F289 HydrophobicContact CG2-CD1 3.94Å; I238-F289 HydrophobicContact CG2-CD2 4.42Å; I238-F289 HydrophobicContact CG2-CE1 3.45Å; I238-F289 VanDerWaalsContact CG2-CE1 3.45Å; I238-F289 HydrophobicContact CG2-CE2 3.99Å; I238-F289 HydrophobicContact CG2-CG 4.4Å; I238-F289 HydrophobicContact CG2-CZ 3.49Å; I238-F289 VanDerWaalsContact CG2-CZ 3.49Å; V239-F289 HydrophobicContact CG1-CD1 4.43Å; V239-F289 HydrophobicContact CG1-CE1 4.17Å; V239-F289 HydrophobicContact CG2-CD1 3.62Å; V239-F289 HydrophobicContact CG2-CE1 4.18Å; F244-F289 HydrophobicContact CZ-CE1 4.46Å; Y246-F289 AromaticContact CD1-CE1 3.73Å; Y246-F289 HydrophobicContact CD1-CE1 3.73Å; Y246-F289 AromaticContact CD1-CZ 3.79Å; Y246-F289 HydrophobicContact CD1-CZ 3.79Å; Y246-F289 AromaticContact CD2-CZ 4Å; Y246-F289 HydrophobicContact CD2-CZ 4Å; Y246-F289 HydrophobicContact CE1-CE1 4.33Å; Y246-F289 HydrophobicContact CE1-CZ 4.07Å; Y246-F289 HydrophobicContact CE2-CZ 4.26Å; Y246-F289 AromaticContact CG-CE1 3.84Å; Y246-F289 HydrophobicContact CG-CE1 3.84Å; Y246-F289 AromaticContact CG-CZ 3.75Å; Y246-F289 HydrophobicContact CG-CZ 3.75Å; P287-F289 HydrophobicContact CB-CD2 4.17Å; P287-F289 HydrophobicContact CB-CE2 3.9Å; F289-T291 PolarHBondContact O-N 2.96Å; F289-W298 HydrophobicContact CB-CH2 4.06Å; F289-W298 HydrophobicContact CB-CZ2 4.18Å; F289-W298 HydrophobicContact CD1-CH2 4.1Å; F289-W298 HydrophobicContact CD1-CZ2 4.15Å; F289-F336 HydrophobicContact CB-CE1 4.2Å; F289-F336 AromaticContact CD1-CE1 3.73Å; F289-F336 HydrophobicContact CD1-CE1 3.73Å; F289-F336 AromaticContact CD1-CZ 3.52Å; F289-F336 HydrophobicContact CD1-CZ 3.52Å; F289-F336 HydrophobicContact CD2-CE1 4.46Å; F289-F336 HydrophobicContact CE1-CE1 4.19Å; F289-F336 AromaticContact CE1-CZ 3.58Å; F289-F336 HydrophobicContact CE1-CZ 3.58Å; F289-F336 AromaticContact CG-CE1 3.87Å; F289-F336 HydrophobicContact CG-CE1 3.87Å; F289-F336 HydrophobicContact CG-CZ 4.12Å; F289-F336 HydrophobicContact CZ-CZ 4.22Å; F289-F337 HydrophobicContact CB-CE1 4.13Å; F289-F337 HydrophobicContact CB-CZ 4.42Å; F289-I340 HydrophobicContact CD2-CD1 4.15Å; F289-I340 HydrophobicContact CD2-CG1 4.05Å; F289-I340 HydrophobicContact CD2-CG2 4.01Å; F289-I340 HydrophobicContact CE1-CD1 4.25Å; F289-I340 HydrophobicContact CE2-CD1 3.45Å; F289-I340 VanDerWaalsContact CE2-CD1 3.45Å; F289-I340 HydrophobicContact CE2-CG1 3.83Å; F289-I340 HydrophobicContact CE2-CG2 3.84Å; F289-I340 HydrophobicContact CZ-CD1 3.5Å; F289-I340 HydrophobicContact CZ-CG1 4.3Å; F289-F344 HydrophobicContact CE2-CE2 4.01Å; F289-F344 HydrophobicContact CZ-CE2 4.31Å; F289-H350 PolarHBondContact N-O 2.88Å; F289-H350 VanDerWaalsContact N-O 3.17Å
290	D	98.8	Very high	98.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.077	C	C	.	.			trans	-62.4	133.9	-173.3	-176.5	14.5	0	0	0	111.8	E288 H294 T295 G352 G353	E288-D290 HydrophobicContact CG-CB 4.25Å; D290-H294 HydrophobicContact CB-CB 4.39Å; D290-H294 WeakPolarHBondContact OD2-CB 3.42Å; D290-H294 IonicContact OD2-CD2 2.59Å; D290-H294 PolarHBondContact OD2-CD2 2.82Å; D290-H294 IonicContact OD2-CG 2.75Å; D290-T295 VanDerWaalsContact O-CG2 3.28Å; D290-T295 WeakPolarHBondContact O-CG2 3.49Å; D290-G352 VanDerWaalsContact OD1-CA 3.24Å; D290-G352 WeakPolarHBondContact OD1-CA 3.46Å; D290-G353 PolarHBondContact OD1-N 3.14Å
291	T	98.8	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.			trans	-154.3	151.5	173.7	69.7	0	0	0	0	110.5	F289 T295 W298 I322 L351 G353 Y387	F289-T291 PolarHBondContact O-N 2.96Å; T291-T295 HydrophobicContact CG2-CG2 3.94Å; T291-W298 HydrophobicContact CG2-CH2 4.09Å; T291-W298 HydrophobicContact CG2-CZ2 4.16Å; T291-I322 HydrophobicContact CG2-CD1 3.67Å; T291-L351 PolarHBondContact N-O 3.45Å; T291-G353 WeakPolarHBondContact O-CA 3.03Å; T291-G353 PolarHBondContact O-N 3.46Å; T291-Y387 WeakPolarHBondContact CB-OH 3.47Å; T291-Y387 PolarHBondContact OG1-OH 2.03Å
292	P	98.7	Very high	98.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.085	C	C	.	.	S	Bend	cis	-92.7	-13.2	6.7	35.1	-32.9	0	0	0	114.2	T295 P321 I322 V356 W361 Y387	P292-T295 PolarHBondContact O-OG1 3.46Å; P292-P321 HydrophobicContact CB-CB 4.18Å; P292-P321 VanDerWaalsContact O-CA 3.23Å; P292-P321 WeakPolarHBondContact O-CA 3.43Å; P292-P321 VanDerWaalsContact O-CB 3.29Å; P292-P321 WeakPolarHBondContact O-CB 3.46Å; P292-I322 HydrophobicContact CB-CB 4.05Å; P292-I322 PolarHBondContact O-N 2.87Å; P292-V356 HydrophobicContact CG-CG1 4.11Å; P292-V356 HydrophobicContact CG-CG2 3.78Å; P292-W361 HydrophobicContact CB-CH2 4.44Å; P292-W361 HydrophobicContact CB-CZ2 4.11Å; P292-W361 HydrophobicContact CG-CH2 3.83Å; P292-W361 HydrophobicContact CG-CZ2 4Å; P292-Y387 HydrophobicContact CB-CD1 3.8Å; P292-Y387 HydrophobicContact CB-CE1 3.58Å; P292-Y387 HydrophobicContact CB-CE2 4.41Å; P292-Y387 HydrophobicContact CB-CG 4.34Å; P292-Y387 HydrophobicContact CG-CD1 3.69Å; P292-Y387 HydrophobicContact CG-CE1 3.84Å; P292-Y387 HydrophobicContact CG-CG 4.41Å
293	G	97.6	Very high	98.6	Very high	5 Å²	5	24.1 Å²	24.1	5%	0.052	12%	0.123	C	C	.	.	S	Bend	trans	-64.3	-179.4	167.4	0	0	0	0	0	111.4	T295	G293-T295 WeakPolarHBondContact O-CG2 3.42Å; G293-T295 PolarHBondContact O-N 3.34Å; G293-T295 PolarHBondContact O-OG1 3Å
294	H	98.4	Very high	98.5	Very high	22 Å²	22	30.1 Å²	30.1	10%	0.102	16%	0.155	C	C	.	.	S	Bend	trans	50.2	35.9	169.5	-64.4	-72.4	0	0	0	115.7	R211 D240 D241 D290 D354 E355	R211-H294 PolarHBondContact NH2-ND1 3.39Å; D240-H294 CarbonylContact C-O 3.6Å; D240-H294 VanDerWaalsContact CA-O 3.24Å; D240-H294 WeakPolarHBondContact CA-O 3.3Å; D240-H294 IonicContact OD1-CG 3.39Å; D240-H294 IonicContact OD1-ND1 3.42Å; D240-H294 PolarHBondContact OD1-ND1 3.12Å; D240-H294 WeakPolarHBondContact OD2-CB 3.25Å; D240-H294 IonicContact OD2-CG 2.71Å; D240-H294 IonicContact OD2-ND1 2.69Å; D240-H294 PolarHBondContact OD2-ND1 2.91Å; D240-H294 VanDerWaalsContact OD2-ND1 3.09Å; D241-H294 PolarHBondContact N-O 3.42Å; D241-H294 VanDerWaalsContact OD1-CA 3.31Å; D241-H294 WeakPolarHBondContact OD1-CA 3.4Å; D241-H294 IonicContact OD2-ND1 3.86Å; D290-H294 HydrophobicContact CB-CB 4.39Å; D290-H294 WeakPolarHBondContact OD2-CB 3.42Å; D290-H294 IonicContact OD2-CD2 2.59Å; D290-H294 PolarHBondContact OD2-CD2 2.82Å; D290-H294 IonicContact OD2-CG 2.75Å; H294-D354 IonicContact CD2-OD1 3.12Å; H294-D354 IonicContact CD2-OD2 3.57Å; H294-D354 IonicContact NE2-OD2 3.36Å; H294-E355 IonicContact NE2-OE2 2.97Å
295	T	98.8	Very high	98.5	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.155	C	C	.	.			trans	-124	10.4	-170.3	49.6	0	0	0	0	114.6	D241 D290 T291 P292 G293 S297 W298 L306 I322	D241-T295 PolarHBondContact OD1-N 3.28Å; D290-T295 VanDerWaalsContact O-CG2 3.28Å; D290-T295 WeakPolarHBondContact O-CG2 3.49Å; T291-T295 HydrophobicContact CG2-CG2 3.94Å; P292-T295 PolarHBondContact O-OG1 3.46Å; G293-T295 WeakPolarHBondContact O-CG2 3.42Å; G293-T295 PolarHBondContact O-N 3.34Å; G293-T295 PolarHBondContact O-OG1 3Å; T295-S297 PolarHBondContact O-N 2.82Å; T295-S297 VanDerWaalsContact O-N 3.14Å; T295-W298 VanDerWaalsContact CA-CD1 3.41Å; T295-W298 HydrophobicContact CG2-CD2 4.2Å; T295-W298 HydrophobicContact CG2-CG 4.15Å; T295-W298 HydrophobicContact CG2-CZ2 4.49Å; T295-W298 VanDerWaalsContact O-CB 3.25Å; T295-W298 WeakPolarHBondContact O-CB 2.99Å; T295-W298 PolarHBondContact O-N 3.16Å; T295-L306 WeakPolarHBondContact O-CD2 3.38Å; T295-I322 HydrophobicContact CG2-CD1 3.74Å; T295-I322 HydrophobicContact CG2-CG1 3.91Å
296	L	98.7	Very high	98.4	Very high	74 Å²	74	30.1 Å²	30.1	39%	0.387	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-37.9	-178.4	-74.3	176	0	0	0	113.3	D241 W298 G299 L306 F319	D241-L296 HydrophobicContact CB-CB 3.95Å; D241-L296 HydrophobicContact CB-CD1 4.11Å; D241-L296 HydrophobicContact CB-CG 4.3Å; D241-L296 VanDerWaalsContact OD1-CB 3.25Å; D241-L296 WeakPolarHBondContact OD1-CB 3.18Å; D241-L296 WeakPolarHBondContact OD1-CG 3.49Å; D241-L296 PolarHBondContact OD1-N 3.22Å; L296-W298 VanDerWaalsContact C-N 3.28Å; L296-W298 PolarHBondContact O-N 2.59Å; L296-G299 PolarHBondContact O-N 2.81Å; L296-L306 HydrophobicContact CD2-CD1 4.26Å; L296-F319 HydrophobicContact CD2-CB 4.05Å; L296-F319 WeakPolarHBondContact CD2-O 3.39Å
297	S	98.8	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.1	178.7	68.8	0	0	0	0	113.2	D240 D241 S243 T295 G299 K300	D240-S297 VanDerWaalsContact O-CB 3.23Å; D240-S297 WeakPolarHBondContact O-CB 3.44Å; D240-S297 PolarHBondContact O-OG 3.1Å; D241-S297 WeakPolarHBondContact O-CB 3.09Å; D241-S297 PolarHBondContact O-N 2.86Å; D241-S297 VanDerWaalsContact O-N 3.1Å; S243-S297 VanDerWaalsContact C-CB 3.47Å; S243-S297 PolarHBondContact O-OG 2.75Å; T295-S297 PolarHBondContact O-N 2.82Å; T295-S297 VanDerWaalsContact O-N 3.14Å; S297-G299 PolarHBondContact O-N 3.26Å; S297-K300 WeakPolarHBondContact O-CB 3.15Å; S297-K300 PolarHBondContact O-N 3.16Å
298	W	98.8	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-66	-39.8	-178.3	-60.1	56.1	0	0	0	111.2	V239 F244 L254 F289 T291 T295 L296 K300 G301 Q302 L305 F332 F336	V239-W298 HydrophobicContact CG2-CZ2 3.6Å; F244-W298 AromaticContact CD2-CD1 3.77Å; F244-W298 AromaticContact CD2-CD2 3.99Å; F244-W298 HydrophobicContact CD2-CD2 3.99Å; F244-W298 AromaticContact CD2-CG 3.89Å; F244-W298 HydrophobicContact CD2-CG 3.89Å; F244-W298 AromaticContact CD2-NE1 3.88Å; F244-W298 AromaticContact CE2-CD2 3.51Å; F244-W298 HydrophobicContact CE2-CD2 3.51Å; F244-W298 AromaticContact CE2-CE2 3.53Å; F244-W298 AromaticContact CE2-CE3 3.85Å; F244-W298 HydrophobicContact CE2-CE3 3.85Å; F244-W298 AromaticContact CE2-CG 3.93Å; F244-W298 HydrophobicContact CE2-CG 3.93Å; F244-W298 HydrophobicContact CE2-CH2 4.22Å; F244-W298 AromaticContact CE2-CZ2 3.92Å; F244-W298 HydrophobicContact CE2-CZ2 3.92Å; F244-W298 HydrophobicContact CE2-CZ3 4.18Å; F244-W298 AromaticContact CE2-NE1 3.88Å; L254-W298 HydrophobicContact CD2-CB 4.48Å; F289-W298 HydrophobicContact CB-CH2 4.06Å; F289-W298 HydrophobicContact CB-CZ2 4.18Å; F289-W298 HydrophobicContact CD1-CH2 4.1Å; F289-W298 HydrophobicContact CD1-CZ2 4.15Å; T291-W298 HydrophobicContact CG2-CH2 4.09Å; T291-W298 HydrophobicContact CG2-CZ2 4.16Å; T295-W298 VanDerWaalsContact CA-CD1 3.41Å; T295-W298 HydrophobicContact CG2-CD2 4.2Å; T295-W298 HydrophobicContact CG2-CG 4.15Å; T295-W298 HydrophobicContact CG2-CZ2 4.49Å; T295-W298 VanDerWaalsContact O-CB 3.25Å; T295-W298 WeakPolarHBondContact O-CB 2.99Å; T295-W298 PolarHBondContact O-N 3.16Å; L296-W298 VanDerWaalsContact C-N 3.28Å; L296-W298 PolarHBondContact O-N 2.59Å; W298-K300 PolarHBondContact O-N 3.13Å; W298-K300 VanDerWaalsContact O-N 3.14Å; W298-G301 PolarHBondContact O-N 3.16Å; W298-Q302 PolarHBondContact O-N 3.31Å; W298-L305 HydrophobicContact CB-CD2 3.89Å; W298-L305 HydrophobicContact CE3-CD2 4.3Å; W298-F332 AromaticContact CE3-CE1 3.99Å; W298-F332 HydrophobicContact CE3-CE1 3.99Å; W298-F332 HydrophobicContact CE3-CZ 4.07Å; W298-F332 HydrophobicContact CZ3-CE1 4.01Å; W298-F332 HydrophobicContact CZ3-CZ 4.18Å; W298-F336 HydrophobicContact CH2-CD1 4.24Å; W298-F336 AromaticContact CH2-CE1 3.59Å; W298-F336 HydrophobicContact CH2-CE1 3.59Å; W298-F336 AromaticContact CH2-CZ 3.91Å; W298-F336 HydrophobicContact CH2-CZ 3.91Å; W298-F336 HydrophobicContact CZ3-CD1 4.09Å; W298-F336 AromaticContact CZ3-CE1 3.79Å; W298-F336 HydrophobicContact CZ3-CE1 3.79Å; W298-F336 HydrophobicContact CZ3-CE2 4.47Å; W298-F336 AromaticContact CZ3-CZ 3.99Å; W298-F336 HydrophobicContact CZ3-CZ 3.99Å
299	G	98.2	Very high	98.4	Very high	27 Å²	27	31.8 Å²	31.8	28%	0.278	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-64.3	-17.9	-177.6	0	0	0	0	0	114.4	L296 S297 G301	L296-G299 PolarHBondContact O-N 2.81Å; S297-G299 PolarHBondContact O-N 3.26Å; G299-G301 VanDerWaalsContact C-N 3.33Å
300	K	97.9	Very high	98.3	Very high	114 Å²	114	34.7 Å²	34.7	50%	0.496	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-67.9	-35.8	174.4	-58.8	-177.8	-173.3	167	0	111.4	K257 S297 W298	K257-K300 HydrophobicContact CB-CB 3.92Å; K257-K300 WeakPolarHBondContact CB-O 3.4Å; K257-K300 WeakPolarHBondContact CD-O 3.49Å; K257-K300 WeakPolarHBondContact O-CB 3.39Å; K257-K300 WeakPolarHBondContact O-CD 3.39Å; S297-K300 WeakPolarHBondContact O-CB 3.15Å; S297-K300 PolarHBondContact O-N 3.16Å; W298-K300 PolarHBondContact O-N 3.13Å; W298-K300 VanDerWaalsContact O-N 3.14Å
301	G	97.7	Very high	98.1	Very high	13 Å²	13	37.8 Å²	37.8	13%	0.134	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-30	-178.4	0	0	0	0	0	114.6	E253 W298 G299	E253-G301 WeakPolarHBondContact O-CA 3.19Å; W298-G301 PolarHBondContact O-N 3.16Å; G299-G301 VanDerWaalsContact C-N 3.33Å
302	Q	98.5	Very high	97.4	Very high	50 Å²	50	49.2 Å²	49.2	23%	0.234	24%	0.242	C	C	.	.	S	Bend	trans	-115.8	102.4	-175.1	-169.6	65.6	18.8	0	0	111.3	L254 W298 L305 F332	L254-Q302 HydrophobicContact CD2-CB 4Å; W298-Q302 PolarHBondContact O-N 3.31Å; Q302-L305 HydrophobicContact CB-CB 4.06Å; Q302-L305 HydrophobicContact CB-CD2 3.96Å; Q302-L305 HydrophobicContact CG-CB 3.83Å; Q302-L305 HydrophobicContact CG-CD2 4.04Å; Q302-L305 HydrophobicContact CG-CG 4.37Å; Q302-L305 WeakPolarHBondContact O-CB 3.44Å; Q302-L305 PolarHBondContact O-N 2.85Å; Q302-F332 HydrophobicContact CB-CE2 4.33Å; Q302-F332 HydrophobicContact CB-CZ 4.5Å; Q302-F332 HydrophobicContact CG-CD1 4.42Å; Q302-F332 HydrophobicContact CG-CD2 3.74Å; Q302-F332 HydrophobicContact CG-CE1 4.49Å; Q302-F332 HydrophobicContact CG-CE2 3.82Å; Q302-F332 HydrophobicContact CG-CG 4.07Å; Q302-F332 HydrophobicContact CG-CZ 4.21Å
303	K	97.5	Very high	96.7	Very high	183 Å²	183	57.6 Å²	57.6	80%	0.796	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	145.4	178.9	-65.9	-174.4	-179.6	-178.5	0	111.5	L305	K303-L305 PolarHBondContact O-N 3.07Å; K303-L305 VanDerWaalsContact O-N 3.07Å
304	D	97.1	Very high	96.3	Very high	129 Å²	129	63 Å²	63	69%	0.69	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	10.8	178.3	-55.2	-48.2	0	0	0	115.3	L326	D304-L326 WeakPolarHBondContact O-CD1 3.5Å
305	L	98.7	Very high	96	Very high	3 Å²	3	68 Å²	68	2%	0.016	33%	0.331	C	S	.	.			trans	-74.6	-49.3	176.8	-176.8	65.5	0	0	0	112	W298 Q302 K303 I322 N323 T329 F332	W298-L305 HydrophobicContact CB-CD2 3.89Å; W298-L305 HydrophobicContact CE3-CD2 4.3Å; Q302-L305 HydrophobicContact CB-CB 4.06Å; Q302-L305 HydrophobicContact CB-CD2 3.96Å; Q302-L305 HydrophobicContact CG-CB 3.83Å; Q302-L305 HydrophobicContact CG-CD2 4.04Å; Q302-L305 HydrophobicContact CG-CG 4.37Å; Q302-L305 WeakPolarHBondContact O-CB 3.44Å; Q302-L305 PolarHBondContact O-N 2.85Å; K303-L305 PolarHBondContact O-N 3.07Å; K303-L305 VanDerWaalsContact O-N 3.07Å; L305-I322 HydrophobicContact CD1-CD1 4.26Å; L305-I322 HydrophobicContact CD1-CG1 4.38Å; L305-I322 HydrophobicContact CD1-CG2 3.9Å; L305-I322 HydrophobicContact CD2-CD1 4.24Å; L305-I322 HydrophobicContact CD2-CG1 4.4Å; L305-I322 HydrophobicContact CG-CD1 4.28Å; L305-I322 HydrophobicContact CG-CG1 4.1Å; L305-I322 HydrophobicContact CG-CG2 4.36Å; L305-N323 PolarHBondContact O-N 3.14Å; L305-T329 HydrophobicContact CD1-CG2 4.08Å; L305-F332 HydrophobicContact CD1-CD1 3.77Å; L305-F332 HydrophobicContact CD1-CE1 4.16Å; L305-F332 HydrophobicContact CD2-CD1 4.25Å; L305-F332 HydrophobicContact CD2-CE1 3.81Å; L305-F332 HydrophobicContact CD2-CZ 4.38Å
306	L	98.7	Very high	95.8	Very high	8 Å²	8	71.2 Å²	71.2	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	149.7	-176.5	-58.3	-175.2	0	0	0	112.2	T295 L296 P308 F319 I322	T295-L306 WeakPolarHBondContact O-CD2 3.38Å; L296-L306 HydrophobicContact CD2-CD1 4.26Å; L306-P308 VanDerWaalsContact O-CD 3.3Å; L306-P308 WeakPolarHBondContact O-CD 3.02Å; L306-F319 HydrophobicContact CB-CB 3.93Å; L306-F319 HydrophobicContact CB-CD1 3.85Å; L306-F319 HydrophobicContact CB-CG 4.18Å; L306-F319 HydrophobicContact CD1-CB 3.92Å; L306-F319 HydrophobicContact CD1-CG 4.39Å; L306-I322 HydrophobicContact CD2-CG1 4Å
307	T	98.7	Very high	95.4	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.7	175.5	-54.7	0	0	0	0	110.2	F319 G320 P321 N323 C360 W361 N364 I367	T307-F319 CarbonylContact O-C 3.58Å; T307-F319 VanDerWaalsContact O-CA 3.31Å; T307-F319 WeakPolarHBondContact O-CA 3.43Å; T307-G320 PolarHBondContact O-N 3.29Å; T307-P321 VanDerWaalsContact CB-O 3.29Å; T307-P321 WeakPolarHBondContact CB-O 3.34Å; T307-P321 PolarHBondContact N-O 2.96Å; T307-P321 PolarHBondContact OG1-O 2.81Å; T307-N323 WeakPolarHBondContact OG1-CA 3.25Å; T307-C360 PolarHBondContact O-SG 2.85Å; T307-C360 VanDerWaalsContact O-SG 3.4Å; T307-W361 VanDerWaalsContact OG1-CD1 3.24Å; T307-W361 PolarHBondContact OG1-NE1 3.36Å; T307-N364 HydrophobicContact CG2-CB 3.94Å; T307-I367 HydrophobicContact CG2-CD1 3.47Å; T307-I367 VanDerWaalsContact CG2-CD1 3.47Å
308	P	98.2	Very high	95.1	Very high	23 Å²	23	78.3 Å²	78.3	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.7	168.8	-11.7	27.3	0	0	0	110.5	L306 Y310 K315 F319 N364	L306-P308 VanDerWaalsContact O-CD 3.3Å; L306-P308 WeakPolarHBondContact O-CD 3.02Å; P308-Y310 HydrophobicContact CB-CE2 4.33Å; P308-Y310 WeakPolarHBondContact O-CD2 3.44Å; P308-Y310 WeakPolarHBondContact O-CE2 3.27Å; P308-K315 HydrophobicContact CB-CD 4.37Å; P308-K315 HydrophobicContact CB-CG 4.28Å; P308-F319 HydrophobicContact CB-CD1 4.48Å; P308-F319 HydrophobicContact CB-CE1 4.34Å; P308-F319 HydrophobicContact CG-CE1 4.26Å; P308-N364 PolarHBondContact O-ND2 2.91Å
309	C	98	Very high	95.1	Very high	14 Å²	14	83.1 Å²	83.1	10%	0.095	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	156.5	179	-48.4	0	0	0	0	111.3	L316 S318 G320 C360	C309-L316 HydrophobicContact CB-CD1 4.33Å; C309-L316 WeakPolarHBondContact O-CB 3.35Å; C309-L316 PolarHBondContact O-N 3.45Å; C309-S318 PolarHBondContact N-O 2.9Å; C309-G320 PolarHBondContact SG-N 3.46Å; C309-C360 WeakPolarHBondContact CA-SG 3.14Å; C309-C360 HydrophobicContact CB-CB 4.1Å; C309-C360 WeakPolarHBondContact CB-SG 3.21Å; C309-C360 PolarHBondContact N-SG 2.92Å; C309-C360 VanDerWaalsContact N-SG 3.43Å; C309-C360 WeakPolarHBondContact SG-CB 3.18Å; C309-C360 CovalentContact SG-SG 2.04Å; C309-C360 PolarHBondContact SG-SG 2.98Å
310	Y	97.7	Very high	95.1	Very high	60 Å²	60	82.5 Å²	82.5	24%	0.235	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.6	-179.7	-74	-107	0	0	0	110.9	P308 N314 K315 S363 N364 P365	P308-Y310 HydrophobicContact CB-CE2 4.33Å; P308-Y310 WeakPolarHBondContact O-CD2 3.44Å; P308-Y310 WeakPolarHBondContact O-CE2 3.27Å; Y310-N314 CarbonylContact C-O 3.6Å; Y310-N314 WeakPolarHBondContact CA-O 3.48Å; Y310-K315 HydrophobicContact CD1-CB 4.11Å; Y310-K315 HydrophobicContact CE1-CB 3.6Å; Y310-K315 HydrophobicContact CE1-CG 4.17Å; Y310-K315 HydrophobicContact CE2-CB 4.49Å; Y310-K315 HydrophobicContact CE2-CG 4.2Å; Y310-S363 WeakPolarHBondContact CB-O 3.26Å; Y310-S363 PolarHBondContact N-OG 3.4Å; Y310-S363 VanDerWaalsContact O-CB 3.22Å; Y310-S363 WeakPolarHBondContact O-CB 3.32Å; Y310-N364 HydrophobicContact CD2-CB 4.34Å; Y310-P365 HydrophobicContact CD1-CG 4.43Å; Y310-P365 HydrophobicContact CE1-CG 4.45Å
311	S	94.3	Very high	95.1	Very high	66 Å²	66	77.5 Å²	77.5	46%	0.462	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.6	163.1	-174.1	0	0	0	0	108.2	Q313 N314	S311-Q313 PolarHBondContact O-N 2.83Å; S311-N314 PolarHBondContact N-O 3.26Å; S311-N314 PolarHBondContact O-N 3.4Å
312	R	84.1	Confident	95.1	Very high	240 Å²	240	76.9 Å²	76.9	91%	0.906	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-105.7	-168	-55.5	177	178.7	179.2	-0.9	111
313	Q	83.3	Confident	95.2	Very high	178 Å²	178	75 Å²	75	83%	0.832	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-6.6	-179.3	-69.4	158.6	-2.3	0	0	112.2	S311	S311-Q313 PolarHBondContact O-N 2.83Å
314	N	89.8	Confident	95.2	Very high	119 Å²	119	66.2 Å²	66.2	64%	0.636	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.6	-176.9	-67.2	-21.7	0	0	0	109.7	Y310 S311 L316	Y310-N314 CarbonylContact C-O 3.6Å; Y310-N314 WeakPolarHBondContact CA-O 3.48Å; S311-N314 PolarHBondContact N-O 3.26Å; S311-N314 PolarHBondContact O-N 3.4Å; N314-L316 PolarHBondContact O-N 2.93Å
315	K	93.1	Very high	95.3	Very high	127 Å²	127	61.2 Å²	61.2	55%	0.552	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	129.7	169.9	-171.6	-176.5	177.4	-171	0	108.6	P308 Y310	P308-K315 HydrophobicContact CB-CD 4.37Å; P308-K315 HydrophobicContact CB-CG 4.28Å; Y310-K315 HydrophobicContact CD1-CB 4.11Å; Y310-K315 HydrophobicContact CE1-CB 3.6Å; Y310-K315 HydrophobicContact CE1-CG 4.17Å; Y310-K315 HydrophobicContact CE2-CB 4.49Å; Y310-K315 HydrophobicContact CE2-CG 4.2Å
316	L	93.7	Very high	95.3	Very high	68 Å²	68	63.4 Å²	63.4	36%	0.356	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	160.9	171.9	-59.5	176.1	0	0	0	109.8	C309 N314 S318	C309-L316 HydrophobicContact CB-CD1 4.33Å; C309-L316 WeakPolarHBondContact O-CB 3.35Å; C309-L316 PolarHBondContact O-N 3.45Å; N314-L316 PolarHBondContact O-N 2.93Å; L316-S318 WeakPolarHBondContact CB-OG 3.24Å; L316-S318 PolarHBondContact O-N 3.28Å
317	D	90.9	Very high	95.3	Very high	163 Å²	163	69.6 Å²	69.6	87%	0.872	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-6.2	170.5	-66.2	-27.9	0	0	0	112.3	F319	D317-F319 WeakPolarHBondContact O-CE2 3.22Å
318	S	93.3	Very high	95.3	Very high	59 Å²	59	73.9 Å²	73.9	41%	0.413	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.7	174.7	59.6	0	0	0	0	112.2	C309 L316	C309-S318 PolarHBondContact N-O 2.9Å; L316-S318 WeakPolarHBondContact CB-OG 3.24Å; L316-S318 PolarHBondContact O-N 3.28Å
319	F	97.5	Very high	95.3	Very high	102 Å²	102	72.8 Å²	72.8	45%	0.447	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	155.6	175.3	-64.4	-88.8	0	0	0	109.8	L296 L306 T307 P308 D317	L296-F319 HydrophobicContact CD2-CB 4.05Å; L296-F319 WeakPolarHBondContact CD2-O 3.39Å; L306-F319 HydrophobicContact CB-CB 3.93Å; L306-F319 HydrophobicContact CB-CD1 3.85Å; L306-F319 HydrophobicContact CB-CG 4.18Å; L306-F319 HydrophobicContact CD1-CB 3.92Å; L306-F319 HydrophobicContact CD1-CG 4.39Å; T307-F319 CarbonylContact O-C 3.58Å; T307-F319 VanDerWaalsContact O-CA 3.31Å; T307-F319 WeakPolarHBondContact O-CA 3.43Å; P308-F319 HydrophobicContact CB-CD1 4.48Å; P308-F319 HydrophobicContact CB-CE1 4.34Å; P308-F319 HydrophobicContact CG-CE1 4.26Å; D317-F319 WeakPolarHBondContact O-CE2 3.22Å
320	G	97.6	Very high	95.3	Very high	14 Å²	14	73 Å²	73	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-151.4	171.4	0	0	0	0	0	111	T307 C309 C360	T307-G320 PolarHBondContact O-N 3.29Å; C309-G320 PolarHBondContact SG-N 3.46Å; G320-C360 PolarHBondContact N-SG 3.3Å; G320-C360 VanDerWaalsContact N-SG 3.39Å
321	P	98.6	Very high	95.4	Very high	9 Å²	9	73.8 Å²	73.8	6%	0.058	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	161.3	-178.6	-26	34.6	0	0	0	113.6	P292 T307 N323 V356 W361	P292-P321 HydrophobicContact CB-CB 4.18Å; P292-P321 VanDerWaalsContact O-CA 3.23Å; P292-P321 WeakPolarHBondContact O-CA 3.43Å; P292-P321 VanDerWaalsContact O-CB 3.29Å; P292-P321 WeakPolarHBondContact O-CB 3.46Å; T307-P321 VanDerWaalsContact CB-O 3.29Å; T307-P321 WeakPolarHBondContact CB-O 3.34Å; T307-P321 PolarHBondContact N-O 2.96Å; T307-P321 PolarHBondContact OG1-O 2.81Å; P321-N323 PolarHBondContact O-N 3.41Å; P321-V356 HydrophobicContact CB-CG1 4.31Å; P321-V356 HydrophobicContact CG-CG1 3.95Å; P321-W361 HydrophobicContact CB-CZ2 3.71Å; P321-W361 HydrophobicContact CG-CZ2 4.43Å
322	I	98.8	Very high	95.6	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.8	137	170.9	-69	-175.3	0	0	0	110	T291 P292 T295 L305 L306 P324 T329 W361 Y387	T291-I322 HydrophobicContact CG2-CD1 3.67Å; P292-I322 HydrophobicContact CB-CB 4.05Å; P292-I322 PolarHBondContact O-N 2.87Å; T295-I322 HydrophobicContact CG2-CD1 3.74Å; T295-I322 HydrophobicContact CG2-CG1 3.91Å; L305-I322 HydrophobicContact CD1-CD1 4.26Å; L305-I322 HydrophobicContact CD1-CG1 4.38Å; L305-I322 HydrophobicContact CD1-CG2 3.9Å; L305-I322 HydrophobicContact CD2-CD1 4.24Å; L305-I322 HydrophobicContact CD2-CG1 4.4Å; L305-I322 HydrophobicContact CG-CD1 4.28Å; L305-I322 HydrophobicContact CG-CG1 4.1Å; L305-I322 HydrophobicContact CG-CG2 4.36Å; L306-I322 HydrophobicContact CD2-CG1 4Å; I322-P324 WeakPolarHBondContact O-CD 3.29Å; I322-T329 HydrophobicContact CG2-CG2 3.36Å; I322-W361 PolarHBondContact O-NE1 3.04Å; I322-Y387 HydrophobicContact CB-CE2 4.49Å; I322-Y387 HydrophobicContact CG2-CE2 3.89Å
323	N	98.8	Very high	96.3	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.048	32%	0.318	C	S	.	.			trans	-76.8	111.3	-179.9	-173.2	-22.6	0	0	0	110.5	L305 T307 P321 T325 L326 T329	L305-N323 PolarHBondContact O-N 3.14Å; T307-N323 WeakPolarHBondContact OG1-CA 3.25Å; P321-N323 PolarHBondContact O-N 3.41Å; N323-T325 PolarHBondContact O-N 2.81Å; N323-T325 WeakPolarHBondContact OD1-CB 3.21Å; N323-T325 PolarHBondContact OD1-N 2.87Å; N323-T325 PolarHBondContact OD1-OG1 2.59Å; N323-L326 HydrophobicContact CB-CD1 4.2Å; N323-L326 HydrophobicContact CB-CG 4.36Å; N323-T329 WeakPolarHBondContact O-CB 3.24Å; N323-T329 WeakPolarHBondContact O-CG2 3.31Å; N323-T329 PolarHBondContact O-OG1 3.25Å
324	P	98.6	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.6	-172.4	36.2	-36.7	0	0	0	113.1	I322 Y330 W361 L383 Y387	I322-P324 WeakPolarHBondContact O-CD 3.29Å; P324-Y330 VanDerWaalsContact O-CE2 3.3Å; P324-Y330 WeakPolarHBondContact O-CE2 3.47Å; P324-Y330 PolarHBondContact O-OH 3.46Å; P324-W361 HydrophobicContact CG-CZ2 4.04Å; P324-L383 HydrophobicContact CB-CD1 4.39Å; P324-L383 HydrophobicContact CB-CG 4.46Å; P324-L383 HydrophobicContact CG-CD1 3.76Å; P324-L383 HydrophobicContact CG-CD2 3.73Å; P324-L383 HydrophobicContact CG-CG 3.59Å; P324-Y387 HydrophobicContact CB-CD2 3.84Å; P324-Y387 HydrophobicContact CB-CG 4.15Å
325	T	98.6	Very high	97.4	Very high	23 Å²	23	51.7 Å²	51.7	14%	0.141	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-9.5	-172.2	70.7	0	0	0	0	113.5	N323 I367 F370 L383	N323-T325 PolarHBondContact O-N 2.81Å; N323-T325 WeakPolarHBondContact OD1-CB 3.21Å; N323-T325 PolarHBondContact OD1-N 2.87Å; N323-T325 PolarHBondContact OD1-OG1 2.59Å; T325-I367 HydrophobicContact CG2-CB 4.46Å; T325-I367 HydrophobicContact CG2-CG1 3.9Å; T325-I367 HydrophobicContact CG2-CG2 4.46Å; T325-F370 HydrophobicContact CG2-CB 3.66Å; T325-F370 HydrophobicContact CG2-CD1 3.59Å; T325-F370 HydrophobicContact CG2-CD2 4.07Å; T325-F370 HydrophobicContact CG2-CE1 4.18Å; T325-F370 HydrophobicContact CG2-CG 3.51Å; T325-L383 HydrophobicContact CG2-CD1 4.45Å
326	L	98.5	Very high	97.7	Very high	50 Å²	50	45.7 Å²	45.7	26%	0.262	26%	0.261	S	S	.	.			trans	-100.5	137	-172.9	-52	-179.5	0	0	0	111.8	D304 N323 T328 T329 Y330	D304-L326 WeakPolarHBondContact O-CD1 3.5Å; N323-L326 HydrophobicContact CB-CD1 4.2Å; N323-L326 HydrophobicContact CB-CG 4.36Å; L326-T328 VanDerWaalsContact C-N 3.27Å; L326-T328 PolarHBondContact O-N 2.75Å; L326-T329 WeakPolarHBondContact O-CB 3.4Å; L326-T329 PolarHBondContact O-N 3.39Å; L326-Y330 VanDerWaalsContact O-CD2 3.27Å; L326-Y330 WeakPolarHBondContact O-CD2 3.44Å
327	N	98.3	Very high	98	Very high	137 Å²	137	42.4 Å²	42.4	73%	0.733	24%	0.244	S	C	*	.	H	α-helix	trans	-64.1	-35.2	173.4	-72.6	-8.5	0	0	0	111.9	T329 Y330 S331	N327-T329 PolarHBondContact O-N 3.38Å; N327-Y330 PolarHBondContact O-N 3.09Å; N327-Y330 VanDerWaalsContact O-N 3.16Å; N327-S331 PolarHBondContact O-N 3.26Å; N327-S331 PolarHBondContact O-OG 3.49Å
328	T	98.6	Very high	98.3	Very high	90 Å²	90	40.2 Å²	40.2	55%	0.552	23%	0.227	S	C	*	.	H	α-helix	trans	-59	-34.9	177.8	47.5	0	0	0	0	112.3	L326 S331 F332	L326-T328 VanDerWaalsContact C-N 3.27Å; L326-T328 PolarHBondContact O-N 2.75Å; T328-S331 PolarHBondContact O-N 2.95Å; T328-F332 WeakPolarHBondContact O-CB 3.41Å; T328-F332 PolarHBondContact O-N 3.35Å
329	T	98.7	Very high	98.6	Very high	1 Å²	1	38 Å²	38	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-54.8	173	-61.1	0	0	0	0	110.7	L305 I322 N323 L326 N327 S331 F332 L333 Y387	L305-T329 HydrophobicContact CD1-CG2 4.08Å; I322-T329 HydrophobicContact CG2-CG2 3.36Å; N323-T329 WeakPolarHBondContact O-CB 3.24Å; N323-T329 WeakPolarHBondContact O-CG2 3.31Å; N323-T329 PolarHBondContact O-OG1 3.25Å; L326-T329 WeakPolarHBondContact O-CB 3.4Å; L326-T329 PolarHBondContact O-N 3.39Å; N327-T329 PolarHBondContact O-N 3.38Å; T329-S331 PolarHBondContact O-N 2.75Å; T329-F332 WeakPolarHBondContact O-CB 3.46Å; T329-F332 PolarHBondContact O-N 2.87Å; T329-L333 HydrophobicContact CG2-CD1 3.94Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.79Å; T329-Y387 HydrophobicContact CG2-CE2 4.39Å
330	Y	98.8	Very high	98.7	Very high	19 Å²	19	33.2 Å²	33.2	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-71.1	-31	-176.6	-58.5	-72.2	0	0	0	112.8	P324 L326 N327 T334 F386 Y387 K390	P324-Y330 VanDerWaalsContact O-CE2 3.3Å; P324-Y330 WeakPolarHBondContact O-CE2 3.47Å; P324-Y330 PolarHBondContact O-OH 3.46Å; L326-Y330 VanDerWaalsContact O-CD2 3.27Å; L326-Y330 WeakPolarHBondContact O-CD2 3.44Å; N327-Y330 PolarHBondContact O-N 3.09Å; N327-Y330 VanDerWaalsContact O-N 3.16Å; Y330-T334 WeakPolarHBondContact O-CB 3.43Å; Y330-T334 PolarHBondContact O-N 2.92Å; Y330-T334 PolarHBondContact O-OG1 3.42Å; Y330-F386 WeakPolarHBondContact OH-CE1 3.29Å; Y330-Y387 HydrophobicContact CE1-CD2 4.07Å; Y330-Y387 HydrophobicContact CE1-CE2 4.42Å; Y330-K390 HydrophobicContact CD1-CB 3.83Å; Y330-K390 HydrophobicContact CD1-CD 4.19Å; Y330-K390 HydrophobicContact CD2-CD 4.45Å; Y330-K390 HydrophobicContact CE1-CB 3.52Å; Y330-K390 HydrophobicContact CE1-CD 3.68Å; Y330-K390 HydrophobicContact CE1-CG 4.21Å; Y330-K390 HydrophobicContact CE2-CD 3.98Å; Y330-K390 VanDerWaalsContact CE2-CE 3.49Å
331	S	98.6	Very high	98.7	Very high	75 Å²	75	33.6 Å²	33.6	52%	0.524	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-41.5	171.9	-61.3	0	0	0	0	112.3	N327 T328 T329 T335	N327-S331 PolarHBondContact O-N 3.26Å; N327-S331 PolarHBondContact O-OG 3.49Å; T328-S331 PolarHBondContact O-N 2.95Å; T329-S331 PolarHBondContact O-N 2.75Å; S331-T335 PolarHBondContact O-N 3.14Å; S331-T335 PolarHBondContact O-OG1 3.16Å
332	F	98.8	Very high	98.7	Very high	7 Å²	7	40 Å²	40	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-54.7	172.2	164.8	-100	0	0	0	110.7	F251 L254 W298 Q302 L305 T328 T329 T334 T335 F336	F251-F332 HydrophobicContact CB-CE2 4.38Å; F251-F332 AromaticContact CD1-CD2 3.86Å; F251-F332 HydrophobicContact CD1-CD2 3.86Å; F251-F332 AromaticContact CD1-CE2 3.77Å; F251-F332 HydrophobicContact CD1-CE2 3.77Å; F251-F332 HydrophobicContact CD2-CD2 4.21Å; F251-F332 AromaticContact CD2-CE2 3.79Å; F251-F332 HydrophobicContact CD2-CE2 3.79Å; F251-F332 AromaticContact CE1-CD2 3.54Å; F251-F332 HydrophobicContact CE1-CD2 3.54Å; F251-F332 AromaticContact CE1-CE2 3.93Å; F251-F332 HydrophobicContact CE1-CE2 3.93Å; F251-F332 AromaticContact CE2-CD2 3.9Å; F251-F332 HydrophobicContact CE2-CD2 3.9Å; F251-F332 AromaticContact CE2-CE2 3.93Å; F251-F332 HydrophobicContact CE2-CE2 3.93Å; F251-F332 HydrophobicContact CG-CD2 4.19Å; F251-F332 AromaticContact CG-CE2 3.7Å; F251-F332 HydrophobicContact CG-CE2 3.7Å; F251-F332 AromaticContact CZ-CD2 3.55Å; F251-F332 HydrophobicContact CZ-CD2 3.55Å; F251-F332 AromaticContact CZ-CE2 4Å; F251-F332 HydrophobicContact CZ-CE2 4Å; L254-F332 HydrophobicContact CD1-CE2 4.12Å; L254-F332 HydrophobicContact CD1-CZ 3.91Å; L254-F332 HydrophobicContact CD2-CE2 4.41Å; L254-F332 HydrophobicContact CD2-CZ 4.1Å; W298-F332 AromaticContact CE3-CE1 3.99Å; W298-F332 HydrophobicContact CE3-CE1 3.99Å; W298-F332 HydrophobicContact CE3-CZ 4.07Å; W298-F332 HydrophobicContact CZ3-CE1 4.01Å; W298-F332 HydrophobicContact CZ3-CZ 4.18Å; Q302-F332 HydrophobicContact CB-CE2 4.33Å; Q302-F332 HydrophobicContact CB-CZ 4.5Å; Q302-F332 HydrophobicContact CG-CD1 4.42Å; Q302-F332 HydrophobicContact CG-CD2 3.74Å; Q302-F332 HydrophobicContact CG-CE1 4.49Å; Q302-F332 HydrophobicContact CG-CE2 3.82Å; Q302-F332 HydrophobicContact CG-CG 4.07Å; Q302-F332 HydrophobicContact CG-CZ 4.21Å; L305-F332 HydrophobicContact CD1-CD1 3.77Å; L305-F332 HydrophobicContact CD1-CE1 4.16Å; L305-F332 HydrophobicContact CD2-CD1 4.25Å; L305-F332 HydrophobicContact CD2-CE1 3.81Å; L305-F332 HydrophobicContact CD2-CZ 4.38Å; T328-F332 WeakPolarHBondContact O-CB 3.41Å; T328-F332 PolarHBondContact O-N 3.35Å; T329-F332 WeakPolarHBondContact O-CB 3.46Å; T329-F332 PolarHBondContact O-N 2.87Å; F332-T334 VanDerWaalsContact C-N 3.29Å; F332-T334 PolarHBondContact O-N 3.05Å; F332-T335 PolarHBondContact O-N 3.48Å; F332-F336 HydrophobicContact CZ-CB 4.37Å; F332-F336 HydrophobicContact CZ-CD2 4.37Å; F332-F336 HydrophobicContact CZ-CG 4.41Å; F332-F336 WeakPolarHBondContact O-CB 3.32Å; F332-F336 PolarHBondContact O-N 2.83Å
333	L	98.8	Very high	98.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-36.5	-178.4	-67.4	174.7	0	0	0	112.7	T329 T335 F336 F337 Y387 V391 I394	T329-L333 HydrophobicContact CG2-CD1 3.94Å; T329-L333 HydrophobicContact CG2-CG 4.49Å; T329-L333 WeakPolarHBondContact O-CG 3.38Å; T329-L333 PolarHBondContact O-N 2.79Å; L333-T335 VanDerWaalsContact C-N 3.35Å; L333-T335 PolarHBondContact O-N 3.2Å; L333-F336 PolarHBondContact O-N 2.91Å; L333-F337 HydrophobicContact CB-CD2 4.28Å; L333-F337 HydrophobicContact CB-CE2 4.47Å; L333-F337 HydrophobicContact CD2-CE2 4.08Å; L333-F337 WeakPolarHBondContact O-CB 3.46Å; L333-F337 VanDerWaalsContact O-CD2 3.31Å; L333-F337 WeakPolarHBondContact O-CD2 3.24Å; L333-F337 PolarHBondContact O-N 2.88Å; L333-Y387 HydrophobicContact CD1-CE2 3.83Å; L333-Y387 WeakPolarHBondContact CD1-OH 3.44Å; L333-V391 HydrophobicContact CD1-CG2 3.98Å; L333-I394 HydrophobicContact CB-CD1 4.13Å
334	T	98.9	Very high	98.7	Very high	67 Å²	67	41.8 Å²	41.8	41%	0.411	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-44	175.7	-59	0	0	0	0	111.5	Y330 F332 K338 I394	Y330-T334 WeakPolarHBondContact O-CB 3.43Å; Y330-T334 PolarHBondContact O-N 2.92Å; Y330-T334 PolarHBondContact O-OG1 3.42Å; F332-T334 VanDerWaalsContact C-N 3.29Å; F332-T334 PolarHBondContact O-N 3.05Å; T334-K338 WeakPolarHBondContact O-CB 3.33Å; T334-K338 PolarHBondContact O-N 2.79Å; T334-I394 WeakPolarHBondContact OG1-CD1 3.35Å
335	T	98.8	Very high	98.7	Very high	66 Å²	66	44.2 Å²	44.2	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-70.6	-42	179.2	-52.7	0	0	0	0	110.8	T250 F251 S331 F332 L333 K338 E339	T250-T335 HydrophobicContact CG2-CG2 4.47Å; F251-T335 HydrophobicContact CE2-CG2 3.7Å; F251-T335 HydrophobicContact CZ-CG2 3.72Å; S331-T335 PolarHBondContact O-N 3.14Å; S331-T335 PolarHBondContact O-OG1 3.16Å; F332-T335 PolarHBondContact O-N 3.48Å; L333-T335 VanDerWaalsContact C-N 3.35Å; L333-T335 PolarHBondContact O-N 3.2Å; T335-K338 PolarHBondContact O-N 2.8Å; T335-E339 PolarHBondContact O-N 3.05Å
336	F	98.9	Very high	98.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-53.4	-179.8	-178.7	-100.7	0	0	0	111.4	F244 Y246 F251 L254 F289 W298 F332 L333 K338 E339 I340	F244-F336 HydrophobicContact CZ-CE2 4.05Å; F244-F336 HydrophobicContact CZ-CZ 4.05Å; Y246-F336 HydrophobicContact CD1-CE2 4.33Å; Y246-F336 HydrophobicContact CD1-CZ 4.4Å; Y246-F336 HydrophobicContact CE1-CE2 4.15Å; Y246-F336 HydrophobicContact CE1-CZ 4.37Å; F251-F336 HydrophobicContact CD2-CB 4.34Å; F251-F336 HydrophobicContact CD2-CD2 4.16Å; F251-F336 HydrophobicContact CE2-CB 4.05Å; L254-F336 HydrophobicContact CD1-CD2 3.97Å; L254-F336 HydrophobicContact CD1-CE2 3.79Å; F289-F336 HydrophobicContact CB-CE1 4.2Å; F289-F336 AromaticContact CD1-CE1 3.73Å; F289-F336 HydrophobicContact CD1-CE1 3.73Å; F289-F336 AromaticContact CD1-CZ 3.52Å; F289-F336 HydrophobicContact CD1-CZ 3.52Å; F289-F336 HydrophobicContact CD2-CE1 4.46Å; F289-F336 HydrophobicContact CE1-CE1 4.19Å; F289-F336 AromaticContact CE1-CZ 3.58Å; F289-F336 HydrophobicContact CE1-CZ 3.58Å; F289-F336 AromaticContact CG-CE1 3.87Å; F289-F336 HydrophobicContact CG-CE1 3.87Å; F289-F336 HydrophobicContact CG-CZ 4.12Å; F289-F336 HydrophobicContact CZ-CZ 4.22Å; W298-F336 HydrophobicContact CH2-CD1 4.24Å; W298-F336 AromaticContact CH2-CE1 3.59Å; W298-F336 HydrophobicContact CH2-CE1 3.59Å; W298-F336 AromaticContact CH2-CZ 3.91Å; W298-F336 HydrophobicContact CH2-CZ 3.91Å; W298-F336 HydrophobicContact CZ3-CD1 4.09Å; W298-F336 AromaticContact CZ3-CE1 3.79Å; W298-F336 HydrophobicContact CZ3-CE1 3.79Å; W298-F336 HydrophobicContact CZ3-CE2 4.47Å; W298-F336 AromaticContact CZ3-CZ 3.99Å; W298-F336 HydrophobicContact CZ3-CZ 3.99Å; F332-F336 HydrophobicContact CZ-CB 4.37Å; F332-F336 HydrophobicContact CZ-CD2 4.37Å; F332-F336 HydrophobicContact CZ-CG 4.41Å; F332-F336 WeakPolarHBondContact O-CB 3.32Å; F332-F336 PolarHBondContact O-N 2.83Å; L333-F336 PolarHBondContact O-N 2.91Å; F336-K338 PolarHBondContact O-N 2.73Å; F336-E339 WeakPolarHBondContact O-CA 3.47Å; F336-E339 WeakPolarHBondContact O-CB 3.32Å; F336-E339 PolarHBondContact O-N 3.33Å; F336-I340 HydrophobicContact CD1-CG1 4.04Å; F336-I340 HydrophobicContact CE1-CD1 4.04Å; F336-I340 HydrophobicContact CE1-CG1 3.69Å; F336-I340 HydrophobicContact CE2-CD1 4.26Å; F336-I340 HydrophobicContact CZ-CD1 3.82Å; F336-I340 HydrophobicContact CZ-CG1 4.01Å; F336-I340 WeakPolarHBondContact O-CG1 3.37Å; F336-I340 PolarHBondContact O-N 2.95Å
337	F	98.8	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.3	-24.2	-179.5	-77.4	-62.2	0	0	0	113.5	F289 L333 I340 S341 I349 L351 V391 I394 I395 I398	F289-F337 HydrophobicContact CB-CE1 4.13Å; F289-F337 HydrophobicContact CB-CZ 4.42Å; L333-F337 HydrophobicContact CB-CD2 4.28Å; L333-F337 HydrophobicContact CB-CE2 4.47Å; L333-F337 HydrophobicContact CD2-CE2 4.08Å; L333-F337 WeakPolarHBondContact O-CB 3.46Å; L333-F337 VanDerWaalsContact O-CD2 3.31Å; L333-F337 WeakPolarHBondContact O-CD2 3.24Å; L333-F337 PolarHBondContact O-N 2.88Å; F337-I340 HydrophobicContact CD1-CB 4.33Å; F337-I340 HydrophobicContact CD1-CG1 4.29Å; F337-I340 PolarHBondContact O-N 3.02Å; F337-S341 PolarHBondContact O-N 3.34Å; F337-I349 HydrophobicContact CD1-CG2 4.36Å; F337-I349 HydrophobicContact CE1-CG2 4.06Å; F337-L351 HydrophobicContact CE1-CD2 3.88Å; F337-L351 HydrophobicContact CE2-CD2 4.5Å; F337-L351 HydrophobicContact CZ-CD2 3.8Å; F337-V391 HydrophobicContact CD2-CG1 4.33Å; F337-V391 HydrophobicContact CE2-CG1 3.72Å; F337-V391 HydrophobicContact CZ-CG1 4.31Å; F337-I394 HydrophobicContact CB-CG2 4.05Å; F337-I394 HydrophobicContact CD2-CG2 4.45Å; F337-I395 HydrophobicContact CB-CD1 3.8Å; F337-I395 HydrophobicContact CD1-CD1 3.67Å; F337-I395 HydrophobicContact CD2-CD1 4.06Å; F337-I395 HydrophobicContact CE1-CD1 4.23Å; F337-I395 HydrophobicContact CG-CD1 3.58Å; F337-I398 HydrophobicContact CB-CD1 4.07Å; F337-I398 VanDerWaalsContact O-CD1 3.24Å; F337-I398 WeakPolarHBondContact O-CD1 3.5Å
338	K	98.8	Very high	98.8	Very high	117 Å²	117	39.9 Å²	39.9	51%	0.509	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-42.8	167.7	-177.6	-177.7	175	-172.5	0	111.6	T334 T335 F336 S341 E342	T334-K338 WeakPolarHBondContact O-CB 3.33Å; T334-K338 PolarHBondContact O-N 2.79Å; T335-K338 PolarHBondContact O-N 2.8Å; F336-K338 PolarHBondContact O-N 2.73Å; K338-S341 PolarHBondContact O-N 3.38Å; K338-S341 PolarHBondContact O-OG 3.39Å; K338-E342 VanDerWaalsContact CE-OE1 3.26Å; K338-E342 WeakPolarHBondContact CE-OE1 3.49Å; K338-E342 WeakPolarHBondContact O-CG 3.43Å; K338-E342 PolarHBondContact O-N 3.34Å
339	E	98.8	Very high	98.8	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-46	172.9	178.1	177.8	105.7	0	0	111	Y246 S248 I249 T250 T335 F336 S341 E342 V343	Y246-E339 PolarHBondContact OH-OE1 2.96Å; S248-E339 WeakPolarHBondContact CA-OE1 3.25Å; S248-E339 WeakPolarHBondContact CB-OE1 3.4Å; S248-E339 PolarHBondContact OG-OE1 2.95Å; S248-E339 PolarHBondContact OG-OE2 3.1Å; I249-E339 PolarHBondContact N-OE1 3.41Å; I249-E339 PolarHBondContact N-OE2 3.03Å; I249-E339 VanDerWaalsContact N-OE2 3.12Å; T250-E339 VanDerWaalsContact CB-OE2 3.3Å; T250-E339 WeakPolarHBondContact CB-OE2 3.48Å; T250-E339 VanDerWaalsContact CG2-OE2 3.27Å; T250-E339 WeakPolarHBondContact CG2-OE2 3.38Å; T250-E339 PolarHBondContact N-OE2 3.26Å; T250-E339 PolarHBondContact OG1-OE2 3.42Å; T335-E339 PolarHBondContact O-N 3.05Å; F336-E339 WeakPolarHBondContact O-CA 3.47Å; F336-E339 WeakPolarHBondContact O-CB 3.32Å; F336-E339 PolarHBondContact O-N 3.33Å; E339-S341 VanDerWaalsContact C-N 3.28Å; E339-S341 PolarHBondContact O-N 3.46Å; E339-E342 PolarHBondContact O-N 3.05Å; E339-E342 VanDerWaalsContact O-N 3.11Å; E339-V343 HydrophobicContact CG-CG2 4.01Å; E339-V343 VanDerWaalsContact O-CG2 3.3Å; E339-V343 WeakPolarHBondContact O-CG2 3.4Å; E339-V343 PolarHBondContact O-N 3.11Å
340	I	98.8	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.4	-40.1	179.7	-58.9	-45.1	0	0	0	111.7	Y246 P287 F289 F336 F337 E342 V343 F344 I349	Y246-I340 HydrophobicContact CD1-CD1 4.48Å; Y246-I340 HydrophobicContact CE1-CD1 3.62Å; Y246-I340 HydrophobicContact CE2-CD1 4.49Å; Y246-I340 WeakPolarHBondContact OH-CD1 3.17Å; P287-I340 HydrophobicContact CG-CG2 4.25Å; F289-I340 HydrophobicContact CD2-CD1 4.15Å; F289-I340 HydrophobicContact CD2-CG1 4.05Å; F289-I340 HydrophobicContact CD2-CG2 4.01Å; F289-I340 HydrophobicContact CE1-CD1 4.25Å; F289-I340 HydrophobicContact CE2-CD1 3.45Å; F289-I340 VanDerWaalsContact CE2-CD1 3.45Å; F289-I340 HydrophobicContact CE2-CG1 3.83Å; F289-I340 HydrophobicContact CE2-CG2 3.84Å; F289-I340 HydrophobicContact CZ-CD1 3.5Å; F289-I340 HydrophobicContact CZ-CG1 4.3Å; F336-I340 HydrophobicContact CD1-CG1 4.04Å; F336-I340 HydrophobicContact CE1-CD1 4.04Å; F336-I340 HydrophobicContact CE1-CG1 3.69Å; F336-I340 HydrophobicContact CE2-CD1 4.26Å; F336-I340 HydrophobicContact CZ-CD1 3.82Å; F336-I340 HydrophobicContact CZ-CG1 4.01Å; F336-I340 WeakPolarHBondContact O-CG1 3.37Å; F336-I340 PolarHBondContact O-N 2.95Å; F337-I340 HydrophobicContact CD1-CB 4.33Å; F337-I340 HydrophobicContact CD1-CG1 4.29Å; F337-I340 PolarHBondContact O-N 3.02Å; I340-E342 VanDerWaalsContact C-N 3.29Å; I340-E342 PolarHBondContact O-N 3.24Å; I340-V343 PolarHBondContact O-N 3.41Å; I340-F344 HydrophobicContact CD1-CE2 4.42Å; I340-F344 HydrophobicContact CG2-CD2 3.84Å; I340-F344 HydrophobicContact CG2-CE2 4.41Å; I340-F344 PolarHBondContact O-N 3.02Å; I340-I349 HydrophobicContact CB-CD1 4.47Å; I340-I349 HydrophobicContact CG2-CD1 3.85Å; I340-I349 HydrophobicContact CG2-CG1 4.26Å
341	S	98.7	Very high	98.8	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-25.6	179.8	70.9	0	0	0	0	114.1	F337 K338 E339 K400	F337-S341 PolarHBondContact O-N 3.34Å; K338-S341 PolarHBondContact O-N 3.38Å; K338-S341 PolarHBondContact O-OG 3.39Å; E339-S341 VanDerWaalsContact C-N 3.28Å; E339-S341 PolarHBondContact O-N 3.46Å; S341-K400 WeakPolarHBondContact O-CE 3.49Å
342	E	98.7	Very high	98.8	Very high	143 Å²	143	31.1 Å²	31.1	67%	0.668	16%	0.163	S	C	*	.	H	α-helix	trans	-83.1	-33.5	174.4	-67.5	172.1	-171.4	0	0	111.8	K338 E339 I340	K338-E342 VanDerWaalsContact CE-OE1 3.26Å; K338-E342 WeakPolarHBondContact CE-OE1 3.49Å; K338-E342 WeakPolarHBondContact O-CG 3.43Å; K338-E342 PolarHBondContact O-N 3.34Å; E339-E342 PolarHBondContact O-N 3.05Å; E339-E342 VanDerWaalsContact O-N 3.11Å; I340-E342 VanDerWaalsContact C-N 3.29Å; I340-E342 PolarHBondContact O-N 3.24Å
343	V	98.8	Very high	98.8	Very high	47 Å²	47	30.9 Å²	30.9	29%	0.285	16%	0.162	S	C	.	.	H	α-helix	trans	-78.6	-44.2	-178.9	172.3	0	0	0	0	112.1	V271 E339 I340	V271-V343 HydrophobicContact CG1-CG1 3.76Å; E339-V343 HydrophobicContact CG-CG2 4.01Å; E339-V343 VanDerWaalsContact O-CG2 3.3Å; E339-V343 WeakPolarHBondContact O-CG2 3.4Å; E339-V343 PolarHBondContact O-N 3.11Å; I340-V343 PolarHBondContact O-N 3.41Å
344	F	98.9	Very high	98.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.164	C	C	.	.			trans	-101.9	115.5	-175.9	-67.2	-91.7	0	0	0	110.6	W236 I238 Y246 V271 I275 V285 P287 F289 I340 D346 K400	W236-F344 HydrophobicContact CE3-CE1 4.42Å; I238-F344 HydrophobicContact CD1-CZ 4.48Å; Y246-F344 HydrophobicContact CE2-CE2 4.02Å; Y246-F344 HydrophobicContact CE2-CZ 4.35Å; V271-F344 HydrophobicContact CG1-CE1 3.81Å; V271-F344 HydrophobicContact CG1-CE2 4.3Å; V271-F344 HydrophobicContact CG1-CZ 3.65Å; I275-F344 HydrophobicContact CD1-CD1 3.82Å; I275-F344 HydrophobicContact CD1-CE1 4.14Å; I275-F344 HydrophobicContact CD1-CG 4.43Å; I275-F344 HydrophobicContact CG1-CD1 4.4Å; V285-F344 HydrophobicContact CG1-CD1 4.21Å; V285-F344 HydrophobicContact CG1-CE1 4.17Å; P287-F344 HydrophobicContact CB-CD1 3.79Å; P287-F344 HydrophobicContact CB-CD2 4.02Å; P287-F344 HydrophobicContact CB-CE1 3.86Å; P287-F344 HydrophobicContact CB-CE2 4.07Å; P287-F344 HydrophobicContact CB-CG 3.88Å; P287-F344 HydrophobicContact CB-CZ 3.99Å; P287-F344 HydrophobicContact CG-CB 3.79Å; P287-F344 HydrophobicContact CG-CD1 3.85Å; P287-F344 HydrophobicContact CG-CD2 4Å; P287-F344 HydrophobicContact CG-CE1 4.42Å; P287-F344 HydrophobicContact CG-CG 3.61Å; F289-F344 HydrophobicContact CE2-CE2 4.01Å; F289-F344 HydrophobicContact CZ-CE2 4.31Å; I340-F344 HydrophobicContact CD1-CE2 4.42Å; I340-F344 HydrophobicContact CG2-CD2 3.84Å; I340-F344 HydrophobicContact CG2-CE2 4.41Å; I340-F344 PolarHBondContact O-N 3.02Å; F344-D346 VanDerWaalsContact C-N 3.32Å; F344-D346 PolarHBondContact O-N 3.18Å; F344-K400 PolarHBondContact O-NZ 2.89Å
345	P	98.7	Very high	98.6	Very high	50 Å²	50	33.6 Å²	33.6	33%	0.325	17%	0.17	S	C	.	.			trans	-75.6	-18.6	-174	28.8	-34.2	0	0	0	113.4	F140 I275 K400	F140-P345 HydrophobicContact CD1-CB 4.14Å; F140-P345 HydrophobicContact CD1-CG 3.52Å; F140-P345 HydrophobicContact CD2-CB 3.57Å; F140-P345 HydrophobicContact CD2-CG 3.85Å; F140-P345 HydrophobicContact CE1-CB 4.29Å; F140-P345 HydrophobicContact CE1-CG 3.48Å; F140-P345 VanDerWaalsContact CE1-CG 3.48Å; F140-P345 HydrophobicContact CE2-CB 3.73Å; F140-P345 HydrophobicContact CE2-CG 3.8Å; F140-P345 HydrophobicContact CG-CB 3.8Å; F140-P345 HydrophobicContact CG-CG 3.72Å; F140-P345 HydrophobicContact CZ-CB 4.11Å; F140-P345 HydrophobicContact CZ-CG 3.63Å; I275-P345 HydrophobicContact CG2-CG 3.74Å; P345-K400 PolarHBondContact O-NZ 3.38Å
346	D	98.8	Very high	98.5	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	16%	0.155	C	C	.	.	S	Bend	trans	-56.5	145.7	-179.8	-163.9	-93.5	0	0	0	111.7	R284 V285 F344 F348 K400	R284-D346 VanDerWaalsContact CB-OD2 3.32Å; R284-D346 WeakPolarHBondContact CB-OD2 3.43Å; R284-D346 WeakPolarHBondContact CG-OD2 3.37Å; R284-D346 IonicContact CZ-OD1 2.74Å; R284-D346 IonicContact CZ-OD2 3.88Å; R284-D346 IonicContact NE-OD1 3.19Å; R284-D346 IonicContact NE-OD2 3.31Å; R284-D346 PolarHBondContact NE-OD2 3.38Å; R284-D346 IonicContact NH2-OD1 3.16Å; R284-D346 PolarHBondContact NH2-OD1 2.9Å; R284-D346 IonicContact NH2-OD2 3.43Å; R284-D346 PolarHBondContact NH2-OD2 2.81Å; V285-D346 WeakPolarHBondContact O-CB 3.44Å; F344-D346 VanDerWaalsContact C-N 3.32Å; F344-D346 PolarHBondContact O-N 3.18Å; D346-F348 PolarHBondContact O-N 3.46Å; D346-F348 PolarHBondContact OD1-N 3.17Å; D346-K400 WeakPolarHBondContact O-CD 3.13Å; D346-K400 PolarHBondContact O-NZ 2.85Å
347	Q	98.5	Very high	98.5	Very high	97 Å²	97	37.4 Å²	37.4	45%	0.453	19%	0.185	S	C	.	.	S	Bend	trans	-63.8	-26.2	-177.8	-177.8	177.7	-5.8	0	0	112.6	K400 G401	Q347-K400 WeakPolarHBondContact O-CD 3.14Å; Q347-G401 PolarHBondContact O-N 2.82Å
348	F	98.9	Very high	98.4	Very high	15 Å²	15	40.1 Å²	40.1	7%	0.066	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149.3	-173.5	-65.8	-91.1	0	0	0	112.6	I143 L286 D346 G401 I403 I420	I143-F348 HydrophobicContact CB-CE2 4.45Å; I143-F348 HydrophobicContact CG2-CE2 4.14Å; L286-F348 HydrophobicContact CD1-CB 3.85Å; L286-F348 WeakPolarHBondContact CD1-O 3.45Å; D346-F348 PolarHBondContact O-N 3.46Å; D346-F348 PolarHBondContact OD1-N 3.17Å; F348-G401 WeakPolarHBondContact CA-O 3.34Å; F348-I403 HydrophobicContact CB-CD1 4.06Å; F348-I403 HydrophobicContact CB-CG1 3.97Å; F348-I403 HydrophobicContact CD1-CD1 4.4Å; F348-I403 HydrophobicContact CD1-CG1 3.92Å; F348-I403 HydrophobicContact CG-CD1 4.29Å; F348-I403 HydrophobicContact CG-CG1 4.2Å; F348-I420 HydrophobicContact CD1-CD1 3.76Å; F348-I420 HydrophobicContact CD1-CG1 4.36Å; F348-I420 HydrophobicContact CE1-CD1 3.38Å; F348-I420 HydrophobicContact CE1-CG1 3.85Å; F348-I420 HydrophobicContact CE2-CD1 4.24Å; F348-I420 HydrophobicContact CG-CD1 4.34Å; F348-I420 HydrophobicContact CZ-CD1 3.65Å; F348-I420 HydrophobicContact CZ-CG1 4.43Å
349	I	98.9	Very high	98.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.4	166.1	-62.7	170.7	0	0	0	106.7	P287 F337 I340 L351 I395 K400 G401 S402 I403	P287-I349 HydrophobicContact CG-CG1 4.36Å; F337-I349 HydrophobicContact CD1-CG2 4.36Å; F337-I349 HydrophobicContact CE1-CG2 4.06Å; I340-I349 HydrophobicContact CB-CD1 4.47Å; I340-I349 HydrophobicContact CG2-CD1 3.85Å; I340-I349 HydrophobicContact CG2-CG1 4.26Å; I349-L351 HydrophobicContact CG2-CD2 3.93Å; I349-I395 HydrophobicContact CD1-CD1 4.24Å; I349-K400 HydrophobicContact CD1-CB 4.38Å; I349-K400 HydrophobicContact CD1-CG 4.27Å; I349-G401 PolarHBondContact N-O 3.17Å; I349-S402 WeakPolarHBondContact O-CA 3.5Å; I349-I403 PolarHBondContact O-N 2.9Å
350	H	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.6	171.1	-159.2	-73.5	0	0	0	108.5	H235 L286 P287 E288 F289 G352 I403 W405 E422	H235-H350 AromaticContact CE1-CD2 3.37Å; H235-H350 PolarHBondContact CE1-CD2 2.77Å; H235-H350 AromaticContact CE1-CG 3.7Å; H235-H350 AromaticContact CE1-NE2 3.75Å; H235-H350 AromaticContact NE2-CD2 3.52Å; H235-H350 AromaticContact NE2-CG 3.39Å; H235-H350 AromaticContact NE2-ND1 3.92Å; L286-H350 HydrophobicContact CD1-CB 4.31Å; L286-H350 HydrophobicContact CG-CB 4.34Å; P287-H350 PolarHBondContact O-N 2.96Å; E288-H350 WeakPolarHBondContact CA-O 3.49Å; E288-H350 HydrophobicContact CB-CB 3.74Å; E288-H350 VanDerWaalsContact CD-ND1 3.28Å; E288-H350 HydrophobicContact CG-CB 3.97Å; E288-H350 IonicContact OE1-CE1 3.66Å; E288-H350 PolarHBondContact OE1-CE1 2.03Å; E288-H350 VanDerWaalsContact OE1-CE1 3.32Å; E288-H350 IonicContact OE1-CG 3.81Å; E288-H350 IonicContact OE1-ND1 3.99Å; E288-H350 PolarHBondContact OE1-ND1 3.05Å; F289-H350 PolarHBondContact N-O 2.88Å; F289-H350 VanDerWaalsContact N-O 3.17Å; H350-G352 PolarHBondContact ND1-N 3.16Å; H350-G352 VanDerWaalsContact ND1-N 3.11Å; H350-I403 WeakPolarHBondContact CA-O 3.26Å; H350-I403 HydrophobicContact CB-CB 4.39Å; H350-I403 VanDerWaalsContact CD2-CB 3.47Å; H350-I403 WeakPolarHBondContact CD2-CB 3.46Å; H350-I403 WeakPolarHBondContact CD2-CG2 3.39Å; H350-I403 WeakPolarHBondContact NE2-CG2 3.06Å; H350-W405 AromaticContact CE1-CD1 3.7Å; H350-W405 AromaticContact CE1-CD2 3.73Å; H350-W405 AromaticContact CE1-CE2 3.48Å; H350-W405 VanDerWaalsContact CE1-CE2 3.48Å; H350-W405 AromaticContact CE1-CG 3.84Å; H350-W405 AromaticContact CE1-NE1 3.43Å; H350-W405 PolarHBondContact CE1-NE1 3.35Å; H350-E422 IonicContact NE2-OE2 3.75Å
351	L	98.9	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.			trans	-96.9	-2.6	-176.7	-58.8	179.4	0	0	0	112.9	T291 F337 I349 G353 I388 V391 L392 I395 I403 V404	T291-L351 PolarHBondContact N-O 3.45Å; F337-L351 HydrophobicContact CE1-CD2 3.88Å; F337-L351 HydrophobicContact CE2-CD2 4.5Å; F337-L351 HydrophobicContact CZ-CD2 3.8Å; I349-L351 HydrophobicContact CG2-CD2 3.93Å; L351-G353 PolarHBondContact O-N 3.28Å; L351-I388 HydrophobicContact CB-CD1 4.4Å; L351-V391 HydrophobicContact CD1-CG1 4.02Å; L351-V391 HydrophobicContact CD2-CG1 4.07Å; L351-L392 HydrophobicContact CD1-CD2 3.73Å; L351-L392 HydrophobicContact CD1-CG 4.28Å; L351-I395 HydrophobicContact CD1-CG1 3.93Å; L351-I395 HydrophobicContact CD2-CD1 3.91Å; L351-I395 HydrophobicContact CD2-CG1 3.77Å; L351-I395 HydrophobicContact CG-CG1 4.37Å; L351-I403 PolarHBondContact N-O 3.08Å; L351-V404 HydrophobicContact CB-CG1 4.3Å; L351-V404 HydrophobicContact CD1-CG1 4.49Å
352	G	98.6	Very high	98.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.			trans	60.3	-117.7	-172.5	0	0	0	0	0	111.1	E288 D290 H350 W405	E288-G352 VanDerWaalsContact OE1-CA 3.3Å; E288-G352 WeakPolarHBondContact OE1-CA 3.33Å; D290-G352 VanDerWaalsContact OD1-CA 3.24Å; D290-G352 WeakPolarHBondContact OD1-CA 3.46Å; H350-G352 PolarHBondContact ND1-N 3.16Å; H350-G352 VanDerWaalsContact ND1-N 3.11Å; G352-W405 VanDerWaalsContact C-CD1 3.49Å; G352-W405 PolarHBondContact O-N 2.63Å
353	G	98	Very high	98.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	20%	0.2	C	C	.	.			trans	91.6	25.2	-179.9	0	0	0	0	0	113.3	D290 T291 L351 E407	D290-G353 PolarHBondContact OD1-N 3.14Å; T291-G353 WeakPolarHBondContact O-CA 3.03Å; T291-G353 PolarHBondContact O-N 3.46Å; L351-G353 PolarHBondContact O-N 3.28Å; G353-E407 WeakPolarHBondContact O-CB 3.47Å
354	D	97.1	Very high	98.2	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.043	19%	0.187	C	C	.	.			trans	-92.1	163	175.8	59.5	-51	0	0	0	112.9	H294 V356 W405 W424	H294-D354 IonicContact CD2-OD1 3.12Å; H294-D354 IonicContact CD2-OD2 3.57Å; H294-D354 IonicContact NE2-OD2 3.36Å; D354-V356 WeakPolarHBondContact O-CG2 3.31Å; D354-V356 PolarHBondContact O-N 2.84Å; D354-W405 HydrophobicContact CB-CB 3.86Å; D354-W405 HydrophobicContact CB-CG 3.84Å; D354-W405 PolarHBondContact OD1-NE1 3.12Å; D354-W424 HydrophobicContact CB-CZ2 4.43Å
355	E	97	Very high	98.1	Very high	116 Å²	116	41.2 Å²	41.2	54%	0.542	21%	0.205	S	C	.	.	S	Bend	trans	45.9	33.7	167.3	-54.2	-155	121.6	0	0	117.1	H294 E357 W424	H294-E355 IonicContact NE2-OE2 2.97Å; E355-E357 PolarHBondContact O-N 3.41Å; E355-E357 VanDerWaalsContact O-N 3.08Å; E355-W424 HydrophobicContact CG-CH2 4.04Å; E355-W424 HydrophobicContact CG-CZ2 3.92Å
356	V	97.9	Very high	98.1	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	22%	0.221	C	C	.	.			trans	-66.4	112.7	-177.2	-176.4	0	0	0	0	112	P292 P321 D354 F358 W361 E384	P292-V356 HydrophobicContact CG-CG1 4.11Å; P292-V356 HydrophobicContact CG-CG2 3.78Å; P321-V356 HydrophobicContact CB-CG1 4.31Å; P321-V356 HydrophobicContact CG-CG1 3.95Å; D354-V356 WeakPolarHBondContact O-CG2 3.31Å; D354-V356 PolarHBondContact O-N 2.84Å; V356-F358 HydrophobicContact CB-CE1 4.06Å; V356-F358 HydrophobicContact CG1-CD1 4.03Å; V356-F358 HydrophobicContact CG1-CE1 3.88Å; V356-F358 PolarHBondContact O-N 2.88Å; V356-W361 HydrophobicContact CG1-CE3 4.41Å; V356-W361 HydrophobicContact CG1-CH2 3.55Å; V356-W361 HydrophobicContact CG1-CZ2 4.2Å; V356-W361 HydrophobicContact CG1-CZ3 3.66Å; V356-E384 WeakPolarHBondContact CB-OE1 3.49Å; V356-E384 WeakPolarHBondContact CG2-OE1 3.42Å
357	E	97.2	Very high	98	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	22%	0.219	S	C	*	.			trans	-77.1	107.1	175.2	-73.4	-157.7	167.1	0	0	113.1	E355 K359	E355-E357 PolarHBondContact O-N 3.41Å; E355-E357 VanDerWaalsContact O-N 3.08Å; E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 3.41Å
358	F	98	Very high	98	Very high	56 Å²	56	43.5 Å²	43.5	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-71.3	-19.1	-179.5	-55.1	-33.7	0	0	0	115.2	V356 C360 W361 E362 F380 K381 E384	V356-F358 HydrophobicContact CB-CE1 4.06Å; V356-F358 HydrophobicContact CG1-CD1 4.03Å; V356-F358 HydrophobicContact CG1-CE1 3.88Å; V356-F358 PolarHBondContact O-N 2.88Å; F358-C360 VanDerWaalsContact C-N 3.28Å; F358-C360 PolarHBondContact O-N 3.49Å; F358-W361 AromaticContact CD1-CE3 3.81Å; F358-W361 HydrophobicContact CD1-CE3 3.81Å; F358-W361 AromaticContact CD1-CZ3 3.82Å; F358-W361 HydrophobicContact CD1-CZ3 3.82Å; F358-W361 HydrophobicContact CE1-CE3 4.44Å; F358-W361 HydrophobicContact CE1-CZ3 4.01Å; F358-W361 WeakPolarHBondContact O-CB 3.26Å; F358-W361 PolarHBondContact O-N 3.42Å; F358-W361 VanDerWaalsContact O-N 3.1Å; F358-E362 PolarHBondContact O-N 3.1Å; F358-F380 HydrophobicContact CB-CB 3.84Å; F358-F380 HydrophobicContact CB-CG 4.13Å; F358-F380 HydrophobicContact CD1-CB 3.85Å; F358-F380 HydrophobicContact CD2-CB 3.9Å; F358-F380 HydrophobicContact CE1-CB 4.39Å; F358-F380 HydrophobicContact CE2-CB 4.43Å; F358-F380 HydrophobicContact CG-CB 3.58Å; F358-F380 HydrophobicContact CG-CG 4.4Å; F358-K381 HydrophobicContact CE2-CG 3.92Å; F358-K381 HydrophobicContact CZ-CG 3.97Å; F358-E384 HydrophobicContact CE1-CB 4.32Å; F358-E384 WeakPolarHBondContact CZ-OE2 3.46Å
359	K	97.5	Very high	98	Very high	156 Å²	156	46 Å²	46	68%	0.678	22%	0.223	S	C	*	.	H	α-helix	trans	-55.8	-41.2	-173.2	-71.4	176.1	-176.3	162.3	0	113	E357 E362 S363	E357-K359 VanDerWaalsContact C-N 3.32Å; E357-K359 PolarHBondContact O-N 3.41Å; K359-E362 PolarHBondContact O-N 2.7Å; K359-S363 WeakPolarHBondContact O-CB 3.49Å; K359-S363 PolarHBondContact O-N 2.97Å
360	C	98	Very high	98	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.054	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-42	-179.4	-171.6	0	0	0	0	111.4	T307 C309 G320 F358 S363 N364	T307-C360 PolarHBondContact O-SG 2.85Å; T307-C360 VanDerWaalsContact O-SG 3.4Å; C309-C360 WeakPolarHBondContact CA-SG 3.14Å; C309-C360 HydrophobicContact CB-CB 4.1Å; C309-C360 WeakPolarHBondContact CB-SG 3.21Å; C309-C360 PolarHBondContact N-SG 2.92Å; C309-C360 VanDerWaalsContact N-SG 3.43Å; C309-C360 WeakPolarHBondContact SG-CB 3.18Å; C309-C360 CovalentContact SG-SG 2.04Å; C309-C360 PolarHBondContact SG-SG 2.98Å; G320-C360 PolarHBondContact N-SG 3.3Å; G320-C360 VanDerWaalsContact N-SG 3.39Å; F358-C360 VanDerWaalsContact C-N 3.28Å; F358-C360 PolarHBondContact O-N 3.49Å; C360-S363 PolarHBondContact O-N 3.18Å; C360-S363 PolarHBondContact O-OG 3.12Å; C360-N364 PolarHBondContact O-N 2.98Å
361	W	98.4	Very high	98	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-45	172.2	-72.8	-15.9	0	0	0	112	P292 T307 P321 I322 P324 V356 F358 S363 N364 I367 F380 L383 E384	P292-W361 HydrophobicContact CB-CH2 4.44Å; P292-W361 HydrophobicContact CB-CZ2 4.11Å; P292-W361 HydrophobicContact CG-CH2 3.83Å; P292-W361 HydrophobicContact CG-CZ2 4Å; T307-W361 VanDerWaalsContact OG1-CD1 3.24Å; T307-W361 PolarHBondContact OG1-NE1 3.36Å; P321-W361 HydrophobicContact CB-CZ2 3.71Å; P321-W361 HydrophobicContact CG-CZ2 4.43Å; I322-W361 PolarHBondContact O-NE1 3.04Å; P324-W361 HydrophobicContact CG-CZ2 4.04Å; V356-W361 HydrophobicContact CG1-CE3 4.41Å; V356-W361 HydrophobicContact CG1-CH2 3.55Å; V356-W361 HydrophobicContact CG1-CZ2 4.2Å; V356-W361 HydrophobicContact CG1-CZ3 3.66Å; F358-W361 AromaticContact CD1-CE3 3.81Å; F358-W361 HydrophobicContact CD1-CE3 3.81Å; F358-W361 AromaticContact CD1-CZ3 3.82Å; F358-W361 HydrophobicContact CD1-CZ3 3.82Å; F358-W361 HydrophobicContact CE1-CE3 4.44Å; F358-W361 HydrophobicContact CE1-CZ3 4.01Å; F358-W361 WeakPolarHBondContact O-CB 3.26Å; F358-W361 PolarHBondContact O-N 3.42Å; F358-W361 VanDerWaalsContact O-N 3.1Å; W361-S363 VanDerWaalsContact C-N 3.28Å; W361-S363 PolarHBondContact O-N 2.88Å; W361-N364 PolarHBondContact O-N 3.38Å; W361-N364 VanDerWaalsContact O-N 3.16Å; W361-I367 HydrophobicContact CB-CD1 4.17Å; W361-I367 HydrophobicContact CB-CG2 4.2Å; W361-I367 VanDerWaalsContact CD1-CD1 3.42Å; W361-I367 HydrophobicContact CG-CD1 3.97Å; W361-F380 HydrophobicContact CB-CD1 3.84Å; W361-F380 HydrophobicContact CB-CE1 3.84Å; W361-F380 HydrophobicContact CE3-CD1 4.27Å; W361-L383 HydrophobicContact CD2-CD2 4.08Å; W361-L383 HydrophobicContact CE3-CD2 4.02Å; W361-L383 HydrophobicContact CG-CD2 4.34Å; W361-E384 HydrophobicContact CH2-CB 4.29Å; W361-E384 HydrophobicContact CZ3-CB 4.04Å
362	E	97.9	Very high	98	Very high	105 Å²	105	55.6 Å²	55.6	49%	0.491	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-39.1	177.7	-174	179.2	-160.8	0	0	112	F358 K359 N364 Q368 F380	F358-E362 PolarHBondContact O-N 3.1Å; K359-E362 PolarHBondContact O-N 2.7Å; E362-N364 VanDerWaalsContact C-N 3.28Å; E362-N364 PolarHBondContact O-N 3.46Å; E362-Q368 PolarHBondContact O-NE2 3.3Å; E362-F380 HydrophobicContact CB-CD2 4.46Å; E362-F380 HydrophobicContact CB-CE1 4.41Å; E362-F380 HydrophobicContact CB-CE2 3.72Å; E362-F380 HydrophobicContact CB-CZ 3.72Å; E362-F380 HydrophobicContact CG-CE2 3.81Å; E362-F380 HydrophobicContact CG-CZ 4.04Å
363	S	97.7	Very high	97.9	Very high	34 Å²	34	63 Å²	63	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-23.7	178.8	76.8	0	0	0	0	114	Y310 K359 C360 W361 P365	Y310-S363 WeakPolarHBondContact CB-O 3.26Å; Y310-S363 PolarHBondContact N-OG 3.4Å; Y310-S363 VanDerWaalsContact O-CB 3.22Å; Y310-S363 WeakPolarHBondContact O-CB 3.32Å; K359-S363 WeakPolarHBondContact O-CB 3.49Å; K359-S363 PolarHBondContact O-N 2.97Å; C360-S363 PolarHBondContact O-N 3.18Å; C360-S363 PolarHBondContact O-OG 3.12Å; W361-S363 VanDerWaalsContact C-N 3.28Å; W361-S363 PolarHBondContact O-N 2.88Å; S363-P365 WeakPolarHBondContact O-CD 3.28Å
364	N	98.2	Very high	98	Very high	5 Å²	5	68 Å²	68	3%	0.027	32%	0.316	C	S	.	.			trans	-83.3	119.8	-168.4	-172.7	-64.1	0	0	0	112.4	T307 P308 Y310 C360 W361 E362 K366 I367 Q368	T307-N364 HydrophobicContact CG2-CB 3.94Å; P308-N364 PolarHBondContact O-ND2 2.91Å; Y310-N364 HydrophobicContact CD2-CB 4.34Å; C360-N364 PolarHBondContact O-N 2.98Å; W361-N364 PolarHBondContact O-N 3.38Å; W361-N364 VanDerWaalsContact O-N 3.16Å; E362-N364 VanDerWaalsContact C-N 3.28Å; E362-N364 PolarHBondContact O-N 3.46Å; N364-K366 PolarHBondContact O-N 3.41Å; N364-K366 PolarHBondContact OD1-N 3.45Å; N364-I367 HydrophobicContact CB-CB 4.1Å; N364-I367 HydrophobicContact CB-CD1 4.1Å; N364-I367 HydrophobicContact CB-CG1 4.07Å; N364-I367 PolarHBondContact O-N 2.89Å; N364-I367 VanDerWaalsContact O-N 3.15Å; N364-I367 PolarHBondContact OD1-N 3.21Å; N364-Q368 WeakPolarHBondContact O-CG 3.3Å; N364-Q368 PolarHBondContact O-N 3.08Å
365	P	97.2	Very high	98	Very high	59 Å²	59	70.4 Å²	70.4	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-61.7	-36.5	-175.9	-25.1	34.6	0	0	0	114.7	Y310 S363 I367 Q368 D369	Y310-P365 HydrophobicContact CD1-CG 4.43Å; Y310-P365 HydrophobicContact CE1-CG 4.45Å; S363-P365 WeakPolarHBondContact O-CD 3.28Å; P365-I367 VanDerWaalsContact C-N 3.33Å; P365-Q368 WeakPolarHBondContact O-CB 3.01Å; P365-Q368 PolarHBondContact O-N 3.11Å; P365-D369 PolarHBondContact O-N 3.34Å
366	K	97.8	Very high	98.1	Very high	152 Å²	152	66.8 Å²	66.8	66%	0.661	33%	0.326	S	S	*	.	H	α-helix	trans	-70.2	-34	179.1	-67.9	-175.4	177.8	179	0	111.6	N364 D369 F370	N364-K366 PolarHBondContact O-N 3.41Å; N364-K366 PolarHBondContact OD1-N 3.45Å; K366-D369 WeakPolarHBondContact O-CB 2.97Å; K366-D369 PolarHBondContact O-N 2.93Å; K366-F370 PolarHBondContact O-N 3.2Å
367	I	98.5	Very high	98	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.2	-41.5	173.6	-64.2	-176	0	0	0	110	T307 T325 W361 N364 P365 D369 F370 M371 F380 L383	T307-I367 HydrophobicContact CG2-CD1 3.47Å; T307-I367 VanDerWaalsContact CG2-CD1 3.47Å; T325-I367 HydrophobicContact CG2-CB 4.46Å; T325-I367 HydrophobicContact CG2-CG1 3.9Å; T325-I367 HydrophobicContact CG2-CG2 4.46Å; W361-I367 HydrophobicContact CB-CD1 4.17Å; W361-I367 HydrophobicContact CB-CG2 4.2Å; W361-I367 VanDerWaalsContact CD1-CD1 3.42Å; W361-I367 HydrophobicContact CG-CD1 3.97Å; N364-I367 HydrophobicContact CB-CB 4.1Å; N364-I367 HydrophobicContact CB-CD1 4.1Å; N364-I367 HydrophobicContact CB-CG1 4.07Å; N364-I367 PolarHBondContact O-N 2.89Å; N364-I367 VanDerWaalsContact O-N 3.15Å; N364-I367 PolarHBondContact OD1-N 3.21Å; P365-I367 VanDerWaalsContact C-N 3.33Å; I367-D369 VanDerWaalsContact C-N 3.27Å; I367-D369 PolarHBondContact O-N 3.44Å; I367-F370 CarbonylContact O-C 3.51Å; I367-F370 WeakPolarHBondContact O-CB 3.32Å; I367-F370 PolarHBondContact O-N 3.45Å; I367-M371 HydrophobicContact CG2-CG 4.18Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.49Å; I367-M371 PolarHBondContact O-N 3.01Å; I367-F380 HydrophobicContact CG2-CE1 4.13Å; I367-L383 HydrophobicContact CG2-CD2 3.53Å
368	Q	98	Very high	98.1	Very high	51 Å²	51	67.6 Å²	67.6	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-56.8	-40.1	172.3	-71.7	-70.2	-20.9	0	0	112.5	E362 N364 P365 M371 R372	E362-Q368 PolarHBondContact O-NE2 3.3Å; N364-Q368 WeakPolarHBondContact O-CG 3.3Å; N364-Q368 PolarHBondContact O-N 3.08Å; P365-Q368 WeakPolarHBondContact O-CB 3.01Å; P365-Q368 PolarHBondContact O-N 3.11Å; Q368-M371 PolarHBondContact O-N 3.13Å; Q368-R372 PolarHBondContact O-N 3.03Å; Q368-R372 VanDerWaalsContact O-N 3.09Å
369	D	98.3	Very high	98.1	Very high	68 Å²	68	68 Å²	68	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-46.6	172.1	-74.5	-34.3	0	0	0	112.1	P365 K366 I367 M371 R372 Q373	P365-D369 PolarHBondContact O-N 3.34Å; K366-D369 WeakPolarHBondContact O-CB 2.97Å; K366-D369 PolarHBondContact O-N 2.93Å; I367-D369 VanDerWaalsContact C-N 3.27Å; I367-D369 PolarHBondContact O-N 3.44Å; D369-M371 PolarHBondContact O-N 2.97Å; D369-R372 WeakPolarHBondContact O-CB 3.26Å; D369-R372 PolarHBondContact O-N 2.91Å; D369-R372 IonicContact OD1-CZ 3.97Å; D369-R372 IonicContact OD1-NE 2.61Å; D369-R372 IonicContact OD1-NH2 3.66Å; D369-R372 PolarHBondContact OD1-NH2 3.28Å; D369-Q373 VanDerWaalsContact O-CG 3.29Å; D369-Q373 WeakPolarHBondContact O-CG 3.44Å; D369-Q373 PolarHBondContact O-N 3.06Å
370	F	98.7	Very high	98.1	Very high	30 Å²	30	61 Å²	61	13%	0.132	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-41.6	177.9	-170.7	-93.9	0	0	0	112.3	T325 K366 I367 R372 Q373 K374 L383 F386	T325-F370 HydrophobicContact CG2-CB 3.66Å; T325-F370 HydrophobicContact CG2-CD1 3.59Å; T325-F370 HydrophobicContact CG2-CD2 4.07Å; T325-F370 HydrophobicContact CG2-CE1 4.18Å; T325-F370 HydrophobicContact CG2-CG 3.51Å; K366-F370 PolarHBondContact O-N 3.2Å; I367-F370 CarbonylContact O-C 3.51Å; I367-F370 WeakPolarHBondContact O-CB 3.32Å; I367-F370 PolarHBondContact O-N 3.45Å; F370-R372 VanDerWaalsContact C-N 3.32Å; F370-R372 PolarHBondContact O-N 3.34Å; F370-Q373 PolarHBondContact O-N 3.28Å; F370-K374 HydrophobicContact CD1-CG 3.92Å; F370-K374 HydrophobicContact CE1-CD 4.41Å; F370-K374 HydrophobicContact CE1-CG 3.55Å; F370-K374 HydrophobicContact CE2-CG 4.36Å; F370-K374 HydrophobicContact CG-CG 4.48Å; F370-K374 HydrophobicContact CZ-CD 4.24Å; F370-K374 VanDerWaalsContact CZ-CE 3.41Å; F370-K374 HydrophobicContact CZ-CG 3.8Å; F370-K374 WeakPolarHBondContact O-CB 3.4Å; F370-K374 PolarHBondContact O-N 3.45Å; F370-L383 HydrophobicContact CD1-CD1 3.84Å; F370-L383 HydrophobicContact CE1-CD1 3.84Å; F370-F386 HydrophobicContact CE1-CD1 4.2Å; F370-F386 AromaticContact CE1-CE1 3.99Å; F370-F386 HydrophobicContact CE1-CE1 3.99Å; F370-F386 HydrophobicContact CE1-CZ 4.43Å; F370-F386 HydrophobicContact CZ-CD1 4.36Å; F370-F386 AromaticContact CZ-CE1 3.7Å; F370-F386 HydrophobicContact CZ-CE1 3.7Å; F370-F386 AromaticContact CZ-CZ 3.84Å; F370-F386 HydrophobicContact CZ-CZ 3.84Å
371	M	98.6	Very high	98.1	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-43.2	175.3	-70.8	-64.6	-80	0	0	111.4	I367 Q368 D369 G375 F376 D379 F380 L383	I367-M371 HydrophobicContact CG2-CG 4.18Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.49Å; I367-M371 PolarHBondContact O-N 3.01Å; Q368-M371 PolarHBondContact O-N 3.13Å; D369-M371 PolarHBondContact O-N 2.97Å; M371-G375 PolarHBondContact O-N 3.34Å; M371-G375 VanDerWaalsContact O-N 3.14Å; M371-F376 HydrophobicContact CE-CB 3.65Å; M371-F376 PolarHBondContact O-N 3.36Å; M371-F376 HydrophobicContact SD-CB 3.82Å; M371-F376 HydrophobicContact SD-CD2 3.86Å; M371-F376 HydrophobicContact SD-CG 4.37Å; M371-D379 WeakPolarHBondContact CE-O 3.41Å; M371-F380 HydrophobicContact CE-CD1 3.98Å; M371-F380 HydrophobicContact CE-CD2 4.42Å; M371-F380 HydrophobicContact CE-CE1 4.01Å; M371-F380 HydrophobicContact CE-CE2 4.45Å; M371-F380 HydrophobicContact CE-CG 4.17Å; M371-F380 HydrophobicContact CE-CZ 4.22Å; M371-F380 HydrophobicContact CG-CE1 4.02Å; M371-F380 HydrophobicContact CG-CZ 4.34Å; M371-F380 HydrophobicContact SD-CD1 4.35Å; M371-F380 HydrophobicContact SD-CE1 4.23Å; M371-L383 HydrophobicContact CE-CB 4.48Å; M371-L383 HydrophobicContact SD-CB 3.73Å; M371-L383 HydrophobicContact SD-CD1 4.19Å; M371-L383 HydrophobicContact SD-CD2 3.93Å; M371-L383 HydrophobicContact SD-CG 4.16Å
372	R	98.4	Very high	98.1	Very high	171 Å²	171	69.5 Å²	69.5	65%	0.645	36%	0.359	S	S	*	.	H	α-helix	trans	-63.4	-48.5	172.5	-84	-168.4	-66.3	-108.7	3	112.3	Q368 D369 F370 K374 G375	Q368-R372 PolarHBondContact O-N 3.03Å; Q368-R372 VanDerWaalsContact O-N 3.09Å; D369-R372 WeakPolarHBondContact O-CB 3.26Å; D369-R372 PolarHBondContact O-N 2.91Å; D369-R372 IonicContact OD1-CZ 3.97Å; D369-R372 IonicContact OD1-NE 2.61Å; D369-R372 IonicContact OD1-NH2 3.66Å; D369-R372 PolarHBondContact OD1-NH2 3.28Å; F370-R372 VanDerWaalsContact C-N 3.32Å; F370-R372 PolarHBondContact O-N 3.34Å; R372-K374 VanDerWaalsContact C-N 3.3Å; R372-K374 PolarHBondContact O-N 2.93Å; R372-G375 PolarHBondContact O-N 3.4Å; R372-G375 VanDerWaalsContact O-N 3.09Å
373	Q	98.4	Very high	98.1	Very high	156 Å²	156	64.5 Å²	64.5	73%	0.729	34%	0.336	S	S	*	.	H	α-helix	trans	-62	-36.9	-177.9	-72.2	171.7	14	0	0	112.6	D369 F370 G375	D369-Q373 VanDerWaalsContact O-CG 3.29Å; D369-Q373 WeakPolarHBondContact O-CG 3.44Å; D369-Q373 PolarHBondContact O-N 3.06Å; F370-Q373 PolarHBondContact O-N 3.28Å; Q373-G375 VanDerWaalsContact C-N 3.33Å
374	K	98.2	Very high	98.2	Very high	104 Å²	104	63.1 Å²	63.1	45%	0.452	33%	0.326	S	S	.	.	H	α-helix	trans	-82	-9.4	176.6	-69.7	-65.2	-174.6	178.7	0	114	F370 R372 F376	F370-K374 HydrophobicContact CD1-CG 3.92Å; F370-K374 HydrophobicContact CE1-CD 4.41Å; F370-K374 HydrophobicContact CE1-CG 3.55Å; F370-K374 HydrophobicContact CE2-CG 4.36Å; F370-K374 HydrophobicContact CG-CG 4.48Å; F370-K374 HydrophobicContact CZ-CD 4.24Å; F370-K374 VanDerWaalsContact CZ-CE 3.41Å; F370-K374 HydrophobicContact CZ-CG 3.8Å; F370-K374 WeakPolarHBondContact O-CB 3.4Å; F370-K374 PolarHBondContact O-N 3.45Å; R372-K374 VanDerWaalsContact C-N 3.3Å; R372-K374 PolarHBondContact O-N 2.93Å; K374-F376 VanDerWaalsContact C-N 3.29Å; K374-F376 HydrophobicContact CB-CD1 3.95Å; K374-F376 HydrophobicContact CB-CD2 3.76Å; K374-F376 HydrophobicContact CB-CE1 3.92Å; K374-F376 HydrophobicContact CB-CE2 3.72Å; K374-F376 HydrophobicContact CB-CG 3.89Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 HydrophobicContact CG-CD2 4.45Å; K374-F376 HydrophobicContact CG-CE2 4.05Å; K374-F376 HydrophobicContact CG-CZ 4.23Å; K374-F376 PolarHBondContact O-N 2.85Å
375	G	98.1	Very high	98.1	Very high	59 Å²	59	63.8 Å²	63.8	61%	0.608	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	30.3	-176.2	0	0	0	0	0	113.1	M371 R372 Q373 G377	M371-G375 PolarHBondContact O-N 3.34Å; M371-G375 VanDerWaalsContact O-N 3.14Å; R372-G375 PolarHBondContact O-N 3.4Å; R372-G375 VanDerWaalsContact O-N 3.09Å; Q373-G375 VanDerWaalsContact C-N 3.33Å; G375-G377 VanDerWaalsContact C-N 3.32Å
376	F	98.4	Very high	98.2	Very high	41 Å²	41	63.2 Å²	63.2	18%	0.18	32%	0.322	C	S	.	.			trans	-81.5	-11.8	178	-65.5	-18.5	0	0	0	113	M371 K374 T378 D379 K382 L383 F386	M371-F376 HydrophobicContact CE-CB 3.65Å; M371-F376 PolarHBondContact O-N 3.36Å; M371-F376 HydrophobicContact SD-CB 3.82Å; M371-F376 HydrophobicContact SD-CD2 3.86Å; M371-F376 HydrophobicContact SD-CG 4.37Å; K374-F376 VanDerWaalsContact C-N 3.29Å; K374-F376 HydrophobicContact CB-CD1 3.95Å; K374-F376 HydrophobicContact CB-CD2 3.76Å; K374-F376 HydrophobicContact CB-CE1 3.92Å; K374-F376 HydrophobicContact CB-CE2 3.72Å; K374-F376 HydrophobicContact CB-CG 3.89Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 HydrophobicContact CG-CD2 4.45Å; K374-F376 HydrophobicContact CG-CE2 4.05Å; K374-F376 HydrophobicContact CG-CZ 4.23Å; K374-F376 PolarHBondContact O-N 2.85Å; F376-T378 PolarHBondContact O-N 3.21Å; F376-D379 PolarHBondContact O-N 3.24Å; F376-K382 HydrophobicContact CB-CB 4.12Å; F376-K382 HydrophobicContact CB-CD 4.33Å; F376-K382 HydrophobicContact CD1-CB 3.88Å; F376-K382 HydrophobicContact CD1-CD 4Å; F376-K382 HydrophobicContact CD2-CB 4.09Å; F376-K382 HydrophobicContact CE1-CB 4.27Å; F376-K382 HydrophobicContact CE2-CB 4.46Å; F376-K382 HydrophobicContact CG-CB 3.78Å; F376-K382 HydrophobicContact CG-CD 4.37Å; F376-L383 HydrophobicContact CE2-CD1 4.46Å; F376-F386 HydrophobicContact CE2-CB 4Å; F376-F386 HydrophobicContact CE2-CG 4.35Å; F376-F386 HydrophobicContact CZ-CB 4.14Å; F376-F386 HydrophobicContact CZ-CD2 4.43Å; F376-F386 HydrophobicContact CZ-CG 4.48Å
377	G	97.4	Very high	98.2	Very high	47 Å²	47	56 Å²	56	49%	0.485	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	-128.5	-177.6	0	0	0	0	0	110.5	G375	G375-G377 VanDerWaalsContact C-N 3.32Å
378	T	97.6	Very high	98.2	Very high	116 Å²	116	56 Å²	56	71%	0.712	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	12.1	176.1	57.7	0	0	0	0	112.6	F376 F380	F376-T378 PolarHBondContact O-N 3.21Å; T378-F380 WeakPolarHBondContact O-CD2 3.5Å; T378-F380 PolarHBondContact O-N 3.1Å
379	D	98.1	Very high	98.2	Very high	65 Å²	65	56.8 Å²	56.8	35%	0.348	30%	0.295	S	S	.	.			trans	-88.7	89.4	-178.1	-177.9	10.5	0	0	0	110.4	M371 F376 K381 K382	M371-D379 WeakPolarHBondContact CE-O 3.41Å; F376-D379 PolarHBondContact O-N 3.24Å; D379-K381 PolarHBondContact O-N 2.82Å; D379-K381 WeakPolarHBondContact OD1-CB 3.26Å; D379-K381 PolarHBondContact OD1-N 2.98Å; D379-K382 HydrophobicContact CB-CD 4.28Å; D379-K382 HydrophobicContact CB-CG 4.39Å; D379-K382 WeakPolarHBondContact O-CB 3.41Å; D379-K382 PolarHBondContact O-N 3.13Å; D379-K382 VanDerWaalsContact O-N 3.14Å; D379-K382 VanDerWaalsContact OD2-CE 3.29Å; D379-K382 WeakPolarHBondContact OD2-CE 3.5Å; D379-K382 WeakPolarHBondContact OD2-CG 3.19Å
380	F	98.3	Very high	98.2	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.044	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-16.9	-177	-75.3	-85.6	0	0	0	114	F358 W361 E362 I367 M371 T378 K382 L383 E384	F358-F380 HydrophobicContact CB-CB 3.84Å; F358-F380 HydrophobicContact CB-CG 4.13Å; F358-F380 HydrophobicContact CD1-CB 3.85Å; F358-F380 HydrophobicContact CD2-CB 3.9Å; F358-F380 HydrophobicContact CE1-CB 4.39Å; F358-F380 HydrophobicContact CE2-CB 4.43Å; F358-F380 HydrophobicContact CG-CB 3.58Å; F358-F380 HydrophobicContact CG-CG 4.4Å; W361-F380 HydrophobicContact CB-CD1 3.84Å; W361-F380 HydrophobicContact CB-CE1 3.84Å; W361-F380 HydrophobicContact CE3-CD1 4.27Å; E362-F380 HydrophobicContact CB-CD2 4.46Å; E362-F380 HydrophobicContact CB-CE1 4.41Å; E362-F380 HydrophobicContact CB-CE2 3.72Å; E362-F380 HydrophobicContact CB-CZ 3.72Å; E362-F380 HydrophobicContact CG-CE2 3.81Å; E362-F380 HydrophobicContact CG-CZ 4.04Å; I367-F380 HydrophobicContact CG2-CE1 4.13Å; M371-F380 HydrophobicContact CE-CD1 3.98Å; M371-F380 HydrophobicContact CE-CD2 4.42Å; M371-F380 HydrophobicContact CE-CE1 4.01Å; M371-F380 HydrophobicContact CE-CE2 4.45Å; M371-F380 HydrophobicContact CE-CG 4.17Å; M371-F380 HydrophobicContact CE-CZ 4.22Å; M371-F380 HydrophobicContact CG-CE1 4.02Å; M371-F380 HydrophobicContact CG-CZ 4.34Å; M371-F380 HydrophobicContact SD-CD1 4.35Å; M371-F380 HydrophobicContact SD-CE1 4.23Å; T378-F380 WeakPolarHBondContact O-CD2 3.5Å; T378-F380 PolarHBondContact O-N 3.1Å; F380-K382 PolarHBondContact O-N 3.33Å; F380-L383 HydrophobicContact CD1-CD2 4.05Å; F380-L383 HydrophobicContact CE1-CD2 4.37Å; F380-L383 WeakPolarHBondContact O-CA 3.39Å; F380-L383 WeakPolarHBondContact O-CB 3.33Å; F380-L383 PolarHBondContact O-N 2.8Å; F380-E384 PolarHBondContact O-N 2.83Å
381	K	98	Very high	98.2	Very high	88 Å²	88	55.8 Å²	55.8	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-30.8	171	-59.4	-171.5	165.9	-148	0	112	F358 D379 L383 S385 D411	F358-K381 HydrophobicContact CE2-CG 3.92Å; F358-K381 HydrophobicContact CZ-CG 3.97Å; D379-K381 PolarHBondContact O-N 2.82Å; D379-K381 WeakPolarHBondContact OD1-CB 3.26Å; D379-K381 PolarHBondContact OD1-N 2.98Å; K381-L383 VanDerWaalsContact C-N 3.34Å; K381-S385 VanDerWaalsContact O-CB 3.24Å; K381-S385 WeakPolarHBondContact O-CB 3.45Å; K381-S385 PolarHBondContact O-N 3.09Å; K381-S385 PolarHBondContact O-OG 3.45Å; K381-S385 VanDerWaalsContact O-OG 3.04Å; K381-D411 HydrophobicContact CB-CB 4.13Å; K381-D411 HydrophobicContact CD-CB 4.17Å; K381-D411 VanDerWaalsContact CD-OD2 3.31Å; K381-D411 WeakPolarHBondContact CD-OD2 3.35Å; K381-D411 WeakPolarHBondContact CE-OD1 3.43Å; K381-D411 WeakPolarHBondContact CE-OD2 3.49Å; K381-D411 HydrophobicContact CG-CB 4.32Å; K381-D411 WeakPolarHBondContact CG-OD2 3.43Å; K381-D411 IonicContact NZ-OD1 3.42Å; K381-D411 PolarHBondContact NZ-OD1 2.91Å; K381-D411 IonicContact NZ-OD2 3.76Å; K381-D411 PolarHBondContact NZ-OD2 2.81Å
382	K	98.2	Very high	98.2	Very high	97 Å²	97	56.2 Å²	56.2	42%	0.422	29%	0.289	S	S	.	.	H	α-helix	trans	-69.1	-33.4	172.5	-67.8	-179.1	176.9	-172.7	0	112.5	F376 D379 F380 F386	F376-K382 HydrophobicContact CB-CB 4.12Å; F376-K382 HydrophobicContact CB-CD 4.33Å; F376-K382 HydrophobicContact CD1-CB 3.88Å; F376-K382 HydrophobicContact CD1-CD 4Å; F376-K382 HydrophobicContact CD2-CB 4.09Å; F376-K382 HydrophobicContact CE1-CB 4.27Å; F376-K382 HydrophobicContact CE2-CB 4.46Å; F376-K382 HydrophobicContact CG-CB 3.78Å; F376-K382 HydrophobicContact CG-CD 4.37Å; D379-K382 HydrophobicContact CB-CD 4.28Å; D379-K382 HydrophobicContact CB-CG 4.39Å; D379-K382 WeakPolarHBondContact O-CB 3.41Å; D379-K382 PolarHBondContact O-N 3.13Å; D379-K382 VanDerWaalsContact O-N 3.14Å; D379-K382 VanDerWaalsContact OD2-CE 3.29Å; D379-K382 WeakPolarHBondContact OD2-CE 3.5Å; D379-K382 WeakPolarHBondContact OD2-CG 3.19Å; F380-K382 PolarHBondContact O-N 3.33Å; K382-F386 VanDerWaalsContact O-CB 3.28Å; K382-F386 WeakPolarHBondContact O-CB 3.34Å; K382-F386 PolarHBondContact O-N 3.28Å
383	L	98.5	Very high	98.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-72.4	-42.2	176.4	-174	62.6	0	0	0	111.3	P324 T325 W361 I367 F370 M371 F376 F380 K381 F386 Y387	P324-L383 HydrophobicContact CB-CD1 4.39Å; P324-L383 HydrophobicContact CB-CG 4.46Å; P324-L383 HydrophobicContact CG-CD1 3.76Å; P324-L383 HydrophobicContact CG-CD2 3.73Å; P324-L383 HydrophobicContact CG-CG 3.59Å; T325-L383 HydrophobicContact CG2-CD1 4.45Å; W361-L383 HydrophobicContact CD2-CD2 4.08Å; W361-L383 HydrophobicContact CE3-CD2 4.02Å; W361-L383 HydrophobicContact CG-CD2 4.34Å; I367-L383 HydrophobicContact CG2-CD2 3.53Å; F370-L383 HydrophobicContact CD1-CD1 3.84Å; F370-L383 HydrophobicContact CE1-CD1 3.84Å; M371-L383 HydrophobicContact CE-CB 4.48Å; M371-L383 HydrophobicContact SD-CB 3.73Å; M371-L383 HydrophobicContact SD-CD1 4.19Å; M371-L383 HydrophobicContact SD-CD2 3.93Å; M371-L383 HydrophobicContact SD-CG 4.16Å; F376-L383 HydrophobicContact CE2-CD1 4.46Å; F380-L383 HydrophobicContact CD1-CD2 4.05Å; F380-L383 HydrophobicContact CE1-CD2 4.37Å; F380-L383 WeakPolarHBondContact O-CA 3.39Å; F380-L383 WeakPolarHBondContact O-CB 3.33Å; F380-L383 PolarHBondContact O-N 2.8Å; K381-L383 VanDerWaalsContact C-N 3.34Å; L383-F386 WeakPolarHBondContact O-CB 3.32Å; L383-F386 PolarHBondContact O-N 3.43Å; L383-Y387 PolarHBondContact O-N 3.07Å
384	E	98.4	Very high	98.2	Very high	5 Å²	5	46 Å²	46	2%	0.023	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-49.9	171.4	-179.3	179.2	-143.5	0	0	111.5	V356 F358 W361 F380 F386 Y387 I388	V356-E384 WeakPolarHBondContact CB-OE1 3.49Å; V356-E384 WeakPolarHBondContact CG2-OE1 3.42Å; F358-E384 HydrophobicContact CE1-CB 4.32Å; F358-E384 WeakPolarHBondContact CZ-OE2 3.46Å; W361-E384 HydrophobicContact CH2-CB 4.29Å; W361-E384 HydrophobicContact CZ3-CB 4.04Å; F380-E384 PolarHBondContact O-N 2.83Å; E384-F386 VanDerWaalsContact C-N 3.26Å; E384-F386 PolarHBondContact O-N 3.42Å; E384-Y387 WeakPolarHBondContact O-CB 3.36Å; E384-Y387 PolarHBondContact O-N 2.99Å; E384-I388 WeakPolarHBondContact O-CG2 3.4Å; E384-I388 PolarHBondContact O-N 3.16Å
385	S	97.7	Very high	98.2	Very high	19 Å²	19	41 Å²	41	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-40.5	173.9	-75.4	0	0	0	0	112.3	K381 Q389 D411 A413	K381-S385 VanDerWaalsContact O-CB 3.24Å; K381-S385 WeakPolarHBondContact O-CB 3.45Å; K381-S385 PolarHBondContact O-N 3.09Å; K381-S385 PolarHBondContact O-OG 3.45Å; K381-S385 VanDerWaalsContact O-OG 3.04Å; S385-Q389 WeakPolarHBondContact O-CB 3.43Å; S385-Q389 PolarHBondContact O-N 3.19Å; S385-Q389 VanDerWaalsContact O-N 3.08Å; S385-D411 PolarHBondContact OG-O 3.27Å; S385-A413 PolarHBondContact OG-N 3.25Å
386	F	98.3	Very high	98.2	Very high	47 Å²	47	40.9 Å²	40.9	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-42.1	175.5	172	-93.4	0	0	0	112	Y330 F370 F376 K382 L383 E384 K390	Y330-F386 WeakPolarHBondContact OH-CE1 3.29Å; F370-F386 HydrophobicContact CE1-CD1 4.2Å; F370-F386 AromaticContact CE1-CE1 3.99Å; F370-F386 HydrophobicContact CE1-CE1 3.99Å; F370-F386 HydrophobicContact CE1-CZ 4.43Å; F370-F386 HydrophobicContact CZ-CD1 4.36Å; F370-F386 AromaticContact CZ-CE1 3.7Å; F370-F386 HydrophobicContact CZ-CE1 3.7Å; F370-F386 AromaticContact CZ-CZ 3.84Å; F370-F386 HydrophobicContact CZ-CZ 3.84Å; F376-F386 HydrophobicContact CE2-CB 4Å; F376-F386 HydrophobicContact CE2-CG 4.35Å; F376-F386 HydrophobicContact CZ-CB 4.14Å; F376-F386 HydrophobicContact CZ-CD2 4.43Å; F376-F386 HydrophobicContact CZ-CG 4.48Å; K382-F386 VanDerWaalsContact O-CB 3.28Å; K382-F386 WeakPolarHBondContact O-CB 3.34Å; K382-F386 PolarHBondContact O-N 3.28Å; L383-F386 WeakPolarHBondContact O-CB 3.32Å; L383-F386 PolarHBondContact O-N 3.43Å; E384-F386 VanDerWaalsContact C-N 3.26Å; E384-F386 PolarHBondContact O-N 3.42Å; F386-K390 HydrophobicContact CD1-CD 4.43Å; F386-K390 HydrophobicContact CE1-CD 3.81Å; F386-K390 HydrophobicContact CE2-CD 4.06Å; F386-K390 HydrophobicContact CZ-CD 3.6Å; F386-K390 WeakPolarHBondContact O-CG 3.45Å; F386-K390 PolarHBondContact O-N 3.46Å
387	Y	98.7	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-59.3	176.1	171.2	-98	0	0	0	111.4	T291 P292 I322 P324 T329 Y330 L333 L383 E384 Q389 K390 V391	T291-Y387 WeakPolarHBondContact CB-OH 3.47Å; T291-Y387 PolarHBondContact OG1-OH 2.03Å; P292-Y387 HydrophobicContact CB-CD1 3.8Å; P292-Y387 HydrophobicContact CB-CE1 3.58Å; P292-Y387 HydrophobicContact CB-CE2 4.41Å; P292-Y387 HydrophobicContact CB-CG 4.34Å; P292-Y387 HydrophobicContact CG-CD1 3.69Å; P292-Y387 HydrophobicContact CG-CE1 3.84Å; P292-Y387 HydrophobicContact CG-CG 4.41Å; I322-Y387 HydrophobicContact CB-CE2 4.49Å; I322-Y387 HydrophobicContact CG2-CE2 3.89Å; P324-Y387 HydrophobicContact CB-CD2 3.84Å; P324-Y387 HydrophobicContact CB-CG 4.15Å; T329-Y387 HydrophobicContact CG2-CE2 4.39Å; Y330-Y387 HydrophobicContact CE1-CD2 4.07Å; Y330-Y387 HydrophobicContact CE1-CE2 4.42Å; L333-Y387 HydrophobicContact CD1-CE2 3.83Å; L333-Y387 WeakPolarHBondContact CD1-OH 3.44Å; L383-Y387 PolarHBondContact O-N 3.07Å; E384-Y387 WeakPolarHBondContact O-CB 3.36Å; E384-Y387 PolarHBondContact O-N 2.99Å; Y387-Q389 VanDerWaalsContact C-N 3.27Å; Y387-Q389 PolarHBondContact O-N 3.1Å; Y387-K390 WeakPolarHBondContact O-CB 3.42Å; Y387-K390 PolarHBondContact O-N 3.13Å; Y387-V391 HydrophobicContact CD1-CG2 4.35Å; Y387-V391 HydrophobicContact CE1-CG2 3.78Å; Y387-V391 HydrophobicContact CE2-CG2 3.99Å; Y387-V391 PolarHBondContact O-N 3.46Å; Y387-V391 VanDerWaalsContact O-N 3.17Å
388	I	98.3	Very high	98.2	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-32.4	-169.9	-163.9	63.8	0	0	0	111.4	L351 E384 K390 V391 L392 V408 A413	L351-I388 HydrophobicContact CB-CD1 4.4Å; E384-I388 WeakPolarHBondContact O-CG2 3.4Å; E384-I388 PolarHBondContact O-N 3.16Å; I388-K390 VanDerWaalsContact C-N 3.33Å; I388-K390 PolarHBondContact O-N 3.46Å; I388-V391 PolarHBondContact O-N 2.96Å; I388-V391 VanDerWaalsContact O-N 3.17Å; I388-L392 WeakPolarHBondContact O-CB 3.34Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.13Å; I388-L392 PolarHBondContact O-N 3.16Å; I388-V408 HydrophobicContact CB-CG1 4.41Å; I388-V408 HydrophobicContact CD1-CG2 4.46Å; I388-V408 HydrophobicContact CG1-CG1 3.75Å; I388-V408 HydrophobicContact CG1-CG2 3.93Å; I388-V408 HydrophobicContact CG2-CG1 3.81Å; I388-A413 HydrophobicContact CG2-CB 3.62Å
389	Q	97.9	Very high	98.2	Very high	66 Å²	66	45.5 Å²	45.5	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-62.2	-39.6	173.8	-177.3	154.4	66.9	0	0	112.4	S385 Y387 V391 L392 D393 K414	S385-Q389 WeakPolarHBondContact O-CB 3.43Å; S385-Q389 PolarHBondContact O-N 3.19Å; S385-Q389 VanDerWaalsContact O-N 3.08Å; Y387-Q389 VanDerWaalsContact C-N 3.27Å; Y387-Q389 PolarHBondContact O-N 3.1Å; Q389-V391 VanDerWaalsContact C-N 3.32Å; Q389-V391 PolarHBondContact O-N 2.81Å; Q389-L392 PolarHBondContact O-N 2.76Å; Q389-D393 VanDerWaalsContact O-CG 3.25Å; Q389-D393 PolarHBondContact O-N 3.39Å; Q389-K414 PolarHBondContact NE2-O 3.43Å
390	K	98.3	Very high	98.2	Very high	78 Å²	78	44.1 Å²	44.1	34%	0.339	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-32.4	175.6	-68.9	-179.4	63.4	60.5	0	112.2	Y330 F386 Y387 I388 I394	Y330-K390 HydrophobicContact CD1-CB 3.83Å; Y330-K390 HydrophobicContact CD1-CD 4.19Å; Y330-K390 HydrophobicContact CD2-CD 4.45Å; Y330-K390 HydrophobicContact CE1-CB 3.52Å; Y330-K390 HydrophobicContact CE1-CD 3.68Å; Y330-K390 HydrophobicContact CE1-CG 4.21Å; Y330-K390 HydrophobicContact CE2-CD 3.98Å; Y330-K390 VanDerWaalsContact CE2-CE 3.49Å; F386-K390 HydrophobicContact CD1-CD 4.43Å; F386-K390 HydrophobicContact CE1-CD 3.81Å; F386-K390 HydrophobicContact CE2-CD 4.06Å; F386-K390 HydrophobicContact CZ-CD 3.6Å; F386-K390 WeakPolarHBondContact O-CG 3.45Å; F386-K390 PolarHBondContact O-N 3.46Å; Y387-K390 WeakPolarHBondContact O-CB 3.42Å; Y387-K390 PolarHBondContact O-N 3.13Å; I388-K390 VanDerWaalsContact C-N 3.33Å; I388-K390 PolarHBondContact O-N 3.46Å; K390-I394 WeakPolarHBondContact O-CG1 3.41Å; K390-I394 PolarHBondContact O-N 3.44Å
391	V	98.6	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.9	-44.7	173.8	-176.5	0	0	0	0	110.6	L333 F337 L351 Y387 I388 Q389 D393 I394 I395	L333-V391 HydrophobicContact CD1-CG2 3.98Å; F337-V391 HydrophobicContact CD2-CG1 4.33Å; F337-V391 HydrophobicContact CE2-CG1 3.72Å; F337-V391 HydrophobicContact CZ-CG1 4.31Å; L351-V391 HydrophobicContact CD1-CG1 4.02Å; L351-V391 HydrophobicContact CD2-CG1 4.07Å; Y387-V391 HydrophobicContact CD1-CG2 4.35Å; Y387-V391 HydrophobicContact CE1-CG2 3.78Å; Y387-V391 HydrophobicContact CE2-CG2 3.99Å; Y387-V391 PolarHBondContact O-N 3.46Å; Y387-V391 VanDerWaalsContact O-N 3.17Å; I388-V391 PolarHBondContact O-N 2.96Å; I388-V391 VanDerWaalsContact O-N 3.17Å; Q389-V391 VanDerWaalsContact C-N 3.32Å; Q389-V391 PolarHBondContact O-N 2.81Å; V391-D393 VanDerWaalsContact C-N 3.27Å; V391-D393 PolarHBondContact O-N 2.85Å; V391-I394 WeakPolarHBondContact O-CA 3.45Å; V391-I394 WeakPolarHBondContact O-CB 3.03Å; V391-I394 PolarHBondContact O-N 3.12Å; V391-I395 WeakPolarHBondContact O-CG1 3.18Å; V391-I395 PolarHBondContact O-N 3.28Å
392	L	98.3	Very high	98.3	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-42.8	173.5	-71.9	167.3	0	0	0	111.7	L351 I388 Q389 I394 I395 A396 S402 V404 L415 T419	L351-L392 HydrophobicContact CD1-CD2 3.73Å; L351-L392 HydrophobicContact CD1-CG 4.28Å; I388-L392 WeakPolarHBondContact O-CB 3.34Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.13Å; I388-L392 PolarHBondContact O-N 3.16Å; Q389-L392 PolarHBondContact O-N 2.76Å; L392-I394 VanDerWaalsContact C-N 3.33Å; L392-I394 PolarHBondContact O-N 3.44Å; L392-I395 PolarHBondContact O-N 2.94Å; L392-A396 WeakPolarHBondContact O-CB 3.19Å; L392-A396 PolarHBondContact O-N 3.17Å; L392-S402 VanDerWaalsContact CD2-CB 3.49Å; L392-S402 WeakPolarHBondContact CD2-OG 3.43Å; L392-V404 HydrophobicContact CD2-CG1 4.3Å; L392-L415 HydrophobicContact CD1-CD2 3.84Å; L392-T419 HydrophobicContact CD2-CG2 4.48Å
393	D	98.2	Very high	98.3	Very high	95 Å²	95	36 Å²	36	51%	0.508	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-36.6	175.9	-68.1	-24.3	0	0	0	112.6	Q389 V391 T397	Q389-D393 VanDerWaalsContact O-CG 3.25Å; Q389-D393 PolarHBondContact O-N 3.39Å; V391-D393 VanDerWaalsContact C-N 3.27Å; V391-D393 PolarHBondContact O-N 2.85Å; D393-T397 WeakPolarHBondContact O-CB 3.44Å; D393-T397 PolarHBondContact O-N 3.45Å; D393-T397 PolarHBondContact O-OG1 3.37Å
394	I	98.6	Very high	98.3	Very high	18 Å²	18	36 Å²	36	9%	0.092	20%	0.2	C	C	.	.	H	α-helix	trans	-62.4	-46.4	174.1	-70.4	165	0	0	0	110	L333 T334 F337 K390 V391 L392 T397 I398	L333-I394 HydrophobicContact CB-CD1 4.13Å; T334-I394 WeakPolarHBondContact OG1-CD1 3.35Å; F337-I394 HydrophobicContact CB-CG2 4.05Å; F337-I394 HydrophobicContact CD2-CG2 4.45Å; K390-I394 WeakPolarHBondContact O-CG1 3.41Å; K390-I394 PolarHBondContact O-N 3.44Å; V391-I394 WeakPolarHBondContact O-CA 3.45Å; V391-I394 WeakPolarHBondContact O-CB 3.03Å; V391-I394 PolarHBondContact O-N 3.12Å; L392-I394 VanDerWaalsContact C-N 3.33Å; L392-I394 PolarHBondContact O-N 3.44Å; I394-T397 WeakPolarHBondContact O-CB 3.02Å; I394-T397 PolarHBondContact O-N 3.15Å; I394-I398 PolarHBondContact O-N 3.44Å
395	I	98.5	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-41	179.7	-55.3	-51.7	0	0	0	111.7	F337 I349 L351 V391 L392 T397 I398 N399 K400 S402	F337-I395 HydrophobicContact CB-CD1 3.8Å; F337-I395 HydrophobicContact CD1-CD1 3.67Å; F337-I395 HydrophobicContact CD2-CD1 4.06Å; F337-I395 HydrophobicContact CE1-CD1 4.23Å; F337-I395 HydrophobicContact CG-CD1 3.58Å; I349-I395 HydrophobicContact CD1-CD1 4.24Å; L351-I395 HydrophobicContact CD1-CG1 3.93Å; L351-I395 HydrophobicContact CD2-CD1 3.91Å; L351-I395 HydrophobicContact CD2-CG1 3.77Å; L351-I395 HydrophobicContact CG-CG1 4.37Å; V391-I395 WeakPolarHBondContact O-CG1 3.18Å; V391-I395 PolarHBondContact O-N 3.28Å; L392-I395 PolarHBondContact O-N 2.94Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 3.24Å; I395-I398 HydrophobicContact CD1-CD1 4.2Å; I395-I398 WeakPolarHBondContact O-CG1 3.38Å; I395-I398 PolarHBondContact O-N 3.39Å; I395-N399 PolarHBondContact O-N 3.18Å; I395-K400 HydrophobicContact CG2-CB 3.7Å; I395-K400 PolarHBondContact O-N 3.14Å; I395-S402 WeakPolarHBondContact CG2-OG 3.45Å
396	A	97.8	Very high	98.4	Very high	55 Å²	55	35 Å²	35	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-61.9	-39.2	174.8	0	0	0	0	0	111.8	L392 I398 N399	L392-A396 WeakPolarHBondContact O-CB 3.19Å; L392-A396 PolarHBondContact O-N 3.17Å; A396-I398 VanDerWaalsContact C-N 3.26Å; A396-I398 PolarHBondContact O-N 2.91Å; A396-N399 PolarHBondContact O-N 3.14Å; A396-N399 VanDerWaalsContact O-N 3.07Å
397	T	98.2	Very high	98.4	Very high	112 Å²	112	33.4 Å²	33.4	69%	0.687	19%	0.186	S	C	*	.	H	α-helix	trans	-63.8	-30.4	179.5	-59.6	0	0	0	0	112.8	D393 I394 I395 N399	D393-T397 WeakPolarHBondContact O-CB 3.44Å; D393-T397 PolarHBondContact O-N 3.45Å; D393-T397 PolarHBondContact O-OG1 3.37Å; I394-T397 WeakPolarHBondContact O-CB 3.02Å; I394-T397 PolarHBondContact O-N 3.15Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 3.24Å; T397-N399 VanDerWaalsContact C-N 3.34Å
398	I	98	Very high	98.4	Very high	38 Å²	38	33.5 Å²	33.5	20%	0.195	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	14.1	176.4	64.2	-173.2	0	0	0	113.2	F337 I394 I395 A396 K400	F337-I398 HydrophobicContact CB-CD1 4.07Å; F337-I398 VanDerWaalsContact O-CD1 3.24Å; F337-I398 WeakPolarHBondContact O-CD1 3.5Å; I394-I398 PolarHBondContact O-N 3.44Å; I395-I398 HydrophobicContact CD1-CD1 4.2Å; I395-I398 WeakPolarHBondContact O-CG1 3.38Å; I395-I398 PolarHBondContact O-N 3.39Å; A396-I398 VanDerWaalsContact C-N 3.26Å; A396-I398 PolarHBondContact O-N 2.91Å; I398-K400 HydrophobicContact CG1-CG 4.4Å; I398-K400 PolarHBondContact O-N 2.95Å
399	N	97.9	Very high	98.4	Very high	151 Å²	151	34.4 Å²	34.4	81%	0.807	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	37.4	175.8	-54.7	-64.1	0	0	0	114.9	I395 A396 T397	I395-N399 PolarHBondContact O-N 3.18Å; A396-N399 PolarHBondContact O-N 3.14Å; A396-N399 VanDerWaalsContact O-N 3.07Å; T397-N399 VanDerWaalsContact C-N 3.34Å
400	K	98.5	Very high	98.4	Very high	36 Å²	36	32.7 Å²	32.7	16%	0.157	18%	0.184	C	C	.	.			trans	-111.2	157.1	171.5	-68.4	-76	-171.3	167	0	110.5	S341 F344 P345 D346 Q347 I349 I395 I398	S341-K400 WeakPolarHBondContact O-CE 3.49Å; F344-K400 PolarHBondContact O-NZ 2.89Å; P345-K400 PolarHBondContact O-NZ 3.38Å; D346-K400 WeakPolarHBondContact O-CD 3.13Å; D346-K400 PolarHBondContact O-NZ 2.85Å; Q347-K400 WeakPolarHBondContact O-CD 3.14Å; I349-K400 HydrophobicContact CD1-CB 4.38Å; I349-K400 HydrophobicContact CD1-CG 4.27Å; I395-K400 HydrophobicContact CG2-CB 3.7Å; I395-K400 PolarHBondContact O-N 3.14Å; I398-K400 HydrophobicContact CG1-CG 4.4Å; I398-K400 PolarHBondContact O-N 2.95Å
401	G	98.4	Very high	98.4	Very high	17 Å²	17	30.1 Å²	30.1	18%	0.175	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	158.5	167.7	0	0	0	0	0	111.3	Q347 F348 I349	Q347-G401 PolarHBondContact O-N 2.82Å; F348-G401 WeakPolarHBondContact CA-O 3.34Å; I349-G401 PolarHBondContact N-O 3.17Å
402	S	98.8	Very high	98.3	Very high	8 Å²	8	37.4 Å²	37.4	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.2	176.3	-53.4	0	0	0	0	111.1	I349 L392 I395 I420	I349-S402 WeakPolarHBondContact O-CA 3.5Å; L392-S402 VanDerWaalsContact CD2-CB 3.49Å; L392-S402 WeakPolarHBondContact CD2-OG 3.43Å; I395-S402 WeakPolarHBondContact CG2-OG 3.45Å; S402-I420 PolarHBondContact O-N 2.86Å
403	I	98.9	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.7	162.6	-45.6	-167.5	0	0	0	107.5	L286 F348 I349 H350 L351 I420 E422 I444	L286-I403 HydrophobicContact CD1-CD1 4.04Å; L286-I403 HydrophobicContact CD2-CD1 3.73Å; F348-I403 HydrophobicContact CB-CD1 4.06Å; F348-I403 HydrophobicContact CB-CG1 3.97Å; F348-I403 HydrophobicContact CD1-CD1 4.4Å; F348-I403 HydrophobicContact CD1-CG1 3.92Å; F348-I403 HydrophobicContact CG-CD1 4.29Å; F348-I403 HydrophobicContact CG-CG1 4.2Å; I349-I403 PolarHBondContact O-N 2.9Å; H350-I403 WeakPolarHBondContact CA-O 3.26Å; H350-I403 HydrophobicContact CB-CB 4.39Å; H350-I403 VanDerWaalsContact CD2-CB 3.47Å; H350-I403 WeakPolarHBondContact CD2-CB 3.46Å; H350-I403 WeakPolarHBondContact CD2-CG2 3.39Å; H350-I403 WeakPolarHBondContact NE2-CG2 3.06Å; L351-I403 PolarHBondContact N-O 3.08Å; I403-I420 WeakPolarHBondContact CA-O 3.43Å; I403-I420 HydrophobicContact CB-CB 4.38Å; I403-I420 HydrophobicContact CD1-CB 4.4Å; I403-I420 HydrophobicContact CD1-CD1 3.92Å; I403-I420 HydrophobicContact CG1-CB 4Å; I403-I420 HydrophobicContact CG1-CD1 4.07Å; I403-I420 HydrophobicContact CG1-CG1 4.41Å; I403-I420 HydrophobicContact CG2-CB 4.11Å; I403-I420 HydrophobicContact CG2-CG2 4.19Å; I403-E422 HydrophobicContact CG2-CB 4.39Å; I403-I444 HydrophobicContact CD1-CD1 4.11Å; I403-I444 HydrophobicContact CG2-CD1 4.5Å
404	V	98.9	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.8	-179	-64.2	0	0	0	0	110.1	L351 L392 V408 T419 I420 V421 E422	L351-V404 HydrophobicContact CB-CG1 4.3Å; L351-V404 HydrophobicContact CD1-CG1 4.49Å; L392-V404 HydrophobicContact CD2-CG1 4.3Å; V404-V408 HydrophobicContact CB-CB 3.97Å; V404-V408 HydrophobicContact CB-CG1 4.21Å; V404-V408 HydrophobicContact CB-CG2 4.01Å; V404-V408 HydrophobicContact CG1-CB 4.48Å; V404-V408 HydrophobicContact CG1-CG1 4.23Å; V404-V408 HydrophobicContact CG1-CG2 4.4Å; V404-V408 HydrophobicContact CG2-CB 4.01Å; V404-V408 HydrophobicContact CG2-CG1 4.12Å; V404-T419 HydrophobicContact CG2-CG2 4.04Å; V404-I420 PolarHBondContact N-O 3.45Å; V404-V421 HydrophobicContact CG2-CG2 4.24Å; V404-V421 WeakPolarHBondContact O-CA 3.29Å; V404-E422 PolarHBondContact O-N 3.16Å
405	W	98.9	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	157.9	166.9	-67.3	123.1	0	0	0	111.2	L206 H235 E288 H350 G352 D354 E407 V408 E422 W424 W489	L206-W405 HydrophobicContact CD1-CH2 4.08Å; L206-W405 HydrophobicContact CD1-CZ2 3.95Å; H235-W405 AromaticContact CE1-CZ2 3.95Å; E288-W405 PolarHBondContact OE1-NE1 2.97Å; H350-W405 AromaticContact CE1-CD1 3.7Å; H350-W405 AromaticContact CE1-CD2 3.73Å; H350-W405 AromaticContact CE1-CE2 3.48Å; H350-W405 VanDerWaalsContact CE1-CE2 3.48Å; H350-W405 AromaticContact CE1-CG 3.84Å; H350-W405 AromaticContact CE1-NE1 3.43Å; H350-W405 PolarHBondContact CE1-NE1 3.35Å; G352-W405 VanDerWaalsContact C-CD1 3.49Å; G352-W405 PolarHBondContact O-N 2.63Å; D354-W405 HydrophobicContact CB-CB 3.86Å; D354-W405 HydrophobicContact CB-CG 3.84Å; D354-W405 PolarHBondContact OD1-NE1 3.12Å; W405-E407 PolarHBondContact O-N 2.74Å; W405-E407 VanDerWaalsContact O-N 3.14Å; W405-V408 PolarHBondContact O-N 2.77Å; W405-E422 HydrophobicContact CE3-CB 3.74Å; W405-E422 HydrophobicContact CE3-CG 3.85Å; W405-E422 HydrophobicContact CH2-CG 4.24Å; W405-E422 WeakPolarHBondContact CH2-OE1 3.4Å; W405-E422 HydrophobicContact CZ3-CB 3.82Å; W405-E422 HydrophobicContact CZ3-CG 3.39Å; W405-E422 WeakPolarHBondContact CZ3-OE1 3.38Å; W405-W424 AromaticContact CD2-CD1 3.98Å; W405-W424 HydrophobicContact CE3-CB 3.75Å; W405-W424 AromaticContact CE3-CD1 3.49Å; W405-W424 VanDerWaalsContact CE3-CD1 3.49Å; W405-W424 AromaticContact CE3-CG 3.84Å; W405-W424 HydrophobicContact CE3-CG 3.84Å; W405-W424 HydrophobicContact CZ3-CB 3.64Å; W405-W424 HydrophobicContact CZ3-CG 4.18Å; W405-W489 HydrophobicContact CH2-CZ2 4.31Å; W405-W489 AromaticContact CZ2-CH2 3.95Å; W405-W489 HydrophobicContact CZ2-CH2 3.95Å; W405-W489 AromaticContact CZ2-CZ2 3.93Å; W405-W489 HydrophobicContact CZ2-CZ2 3.93Å
406	Q	98.7	Very high	98	Very high	4 Å²	4	43 Å²	43	2%	0.019	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-28.4	-170.1	67.7	173.3	87.4	0	0	114.8	V408 F409 D410 V421 E422 W424 K425 E432	Q406-V408 PolarHBondContact O-N 2.73Å; Q406-F409 CarbonylContact O-C 3.54Å; Q406-F409 WeakPolarHBondContact O-CA 3.46Å; Q406-F409 WeakPolarHBondContact O-CB 3.4Å; Q406-F409 PolarHBondContact O-N 2.76Å; Q406-D410 PolarHBondContact NE2-OD2 3.47Å; Q406-D410 VanDerWaalsContact O-CG 3.29Å; Q406-D410 PolarHBondContact O-N 3.14Å; Q406-V421 HydrophobicContact CB-CG1 4.29Å; Q406-E422 PolarHBondContact N-O 3.22Å; Q406-W424 VanDerWaalsContact OE1-N 3.16Å; Q406-K425 HydrophobicContact CG-CD 4.3Å; Q406-K425 HydrophobicContact CG-CG 4.34Å; Q406-E432 PolarHBondContact NE2-OE2 3.45Å; Q406-E432 VanDerWaalsContact NE2-OE2 3.16Å
407	E	98.5	Very high	97.9	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-51.8	-43	178.3	-80.9	85.1	165	0	0	112.2	G353 W405 F409 D410 D411 W424 K425	G353-E407 WeakPolarHBondContact O-CB 3.47Å; W405-E407 PolarHBondContact O-N 2.74Å; W405-E407 VanDerWaalsContact O-N 3.14Å; E407-F409 PolarHBondContact O-N 3.3Å; E407-D410 PolarHBondContact O-N 2.89Å; E407-D410 VanDerWaalsContact O-N 3.11Å; E407-D411 VanDerWaalsContact O-CB 3.28Å; E407-D411 WeakPolarHBondContact O-CB 3.19Å; E407-D411 PolarHBondContact O-N 3.29Å; E407-W424 VanDerWaalsContact OE1-CZ2 3.22Å; E407-W424 WeakPolarHBondContact OE1-CZ2 3.38Å; E407-W424 PolarHBondContact OE1-NE1 2.76Å; E407-W424 PolarHBondContact OE2-NE1 3.43Å; E407-K425 VanDerWaalsContact CD-CE 3.45Å; E407-K425 WeakPolarHBondContact OE1-CE 3.38Å; E407-K425 IonicContact OE1-NZ 3.72Å; E407-K425 PolarHBondContact OE1-NZ 2.92Å; E407-K425 IonicContact OE2-NZ 3.83Å
408	V	98.5	Very high	97.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-58.6	-37.6	-180	177.2	0	0	0	0	111	I388 V404 W405 Q406 A413 L415	I388-V408 HydrophobicContact CB-CG1 4.41Å; I388-V408 HydrophobicContact CD1-CG2 4.46Å; I388-V408 HydrophobicContact CG1-CG1 3.75Å; I388-V408 HydrophobicContact CG1-CG2 3.93Å; I388-V408 HydrophobicContact CG2-CG1 3.81Å; V404-V408 HydrophobicContact CB-CB 3.97Å; V404-V408 HydrophobicContact CB-CG1 4.21Å; V404-V408 HydrophobicContact CB-CG2 4.01Å; V404-V408 HydrophobicContact CG1-CB 4.48Å; V404-V408 HydrophobicContact CG1-CG1 4.23Å; V404-V408 HydrophobicContact CG1-CG2 4.4Å; V404-V408 HydrophobicContact CG2-CB 4.01Å; V404-V408 HydrophobicContact CG2-CG1 4.12Å; W405-V408 PolarHBondContact O-N 2.77Å; Q406-V408 PolarHBondContact O-N 2.73Å; V408-A413 HydrophobicContact CG1-CB 3.88Å; V408-A413 WeakPolarHBondContact O-CB 3.27Å; V408-A413 PolarHBondContact O-N 2.89Å; V408-L415 HydrophobicContact CG1-CD2 3.7Å
409	F	98.6	Very high	97.9	Very high	21 Å²	21	41.8 Å²	41.8	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-76.7	-44.6	173.6	173.5	-95.2	0	0	0	112.2	Q406 E407 D411 K412 L415 V421 R435 V436 S439 F441	Q406-F409 CarbonylContact O-C 3.54Å; Q406-F409 WeakPolarHBondContact O-CA 3.46Å; Q406-F409 WeakPolarHBondContact O-CB 3.4Å; Q406-F409 PolarHBondContact O-N 2.76Å; E407-F409 PolarHBondContact O-N 3.3Å; F409-D411 VanDerWaalsContact C-N 3.26Å; F409-D411 PolarHBondContact O-N 2.8Å; F409-K412 PolarHBondContact O-N 2.83Å; F409-K412 VanDerWaalsContact O-N 3.12Å; F409-L415 HydrophobicContact CB-CD1 4.31Å; F409-L415 HydrophobicContact CD2-CD1 4.22Å; F409-V421 HydrophobicContact CB-CG1 4.08Å; F409-V421 HydrophobicContact CB-CG2 4.13Å; F409-R435 HydrophobicContact CE1-CB 4.05Å; F409-R435 HydrophobicContact CZ-CB 4.37Å; F409-V436 HydrophobicContact CD1-CG2 3.75Å; F409-V436 HydrophobicContact CE1-CG2 3.77Å; F409-V436 HydrophobicContact CG-CG2 4.2Å; F409-V436 HydrophobicContact CZ-CG2 4.25Å; F409-S439 WeakPolarHBondContact CE2-OG 3.38Å; F409-S439 WeakPolarHBondContact CZ-OG 3.37Å; F409-F441 HydrophobicContact CD2-CD2 4.21Å; F409-F441 HydrophobicContact CD2-CE2 4.42Å; F409-F441 HydrophobicContact CE2-CD2 4.07Å; F409-F441 HydrophobicContact CE2-CE2 4.27Å
410	D	98.2	Very high	98	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-38.1	-178	-69.6	-20.3	0	0	0	111.7	Q406 E407 K412 E432	Q406-D410 PolarHBondContact NE2-OD2 3.47Å; Q406-D410 VanDerWaalsContact O-CG 3.29Å; Q406-D410 PolarHBondContact O-N 3.14Å; E407-D410 PolarHBondContact O-N 2.89Å; E407-D410 VanDerWaalsContact O-N 3.11Å; D410-K412 WeakPolarHBondContact O-CD 3.49Å; D410-K412 WeakPolarHBondContact O-CE 3.35Å; D410-K412 PolarHBondContact O-N 2.81Å; D410-K412 PolarHBondContact O-NZ 3.32Å; D410-E432 VanDerWaalsContact OD1-CD 3.23Å; D410-E432 VanDerWaalsContact OD1-OE1 3.07Å
411	D	97.5	Very high	98	Very high	24 Å²	24	33.1 Å²	33.1	13%	0.128	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	13.6	-177.5	-70.9	3.2	0	0	0	112.8	K381 S385 E407 F409 A413	K381-D411 HydrophobicContact CB-CB 4.13Å; K381-D411 HydrophobicContact CD-CB 4.17Å; K381-D411 VanDerWaalsContact CD-OD2 3.31Å; K381-D411 WeakPolarHBondContact CD-OD2 3.35Å; K381-D411 WeakPolarHBondContact CE-OD1 3.43Å; K381-D411 WeakPolarHBondContact CE-OD2 3.49Å; K381-D411 HydrophobicContact CG-CB 4.32Å; K381-D411 WeakPolarHBondContact CG-OD2 3.43Å; K381-D411 IonicContact NZ-OD1 3.42Å; K381-D411 PolarHBondContact NZ-OD1 2.91Å; K381-D411 IonicContact NZ-OD2 3.76Å; K381-D411 PolarHBondContact NZ-OD2 2.81Å; S385-D411 PolarHBondContact OG-O 3.27Å; E407-D411 VanDerWaalsContact O-CB 3.28Å; E407-D411 WeakPolarHBondContact O-CB 3.19Å; E407-D411 PolarHBondContact O-N 3.29Å; F409-D411 VanDerWaalsContact C-N 3.26Å; F409-D411 PolarHBondContact O-N 2.8Å; D411-A413 PolarHBondContact O-N 2.91Å
412	K	97.1	Very high	98	Very high	153 Å²	153	32.3 Å²	32.3	67%	0.665	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	30	164.5	-44.8	-55.1	175.5	-136.1	0	114.1	F409 D410	F409-K412 PolarHBondContact O-N 2.83Å; F409-K412 VanDerWaalsContact O-N 3.12Å; D410-K412 WeakPolarHBondContact O-CD 3.49Å; D410-K412 WeakPolarHBondContact O-CE 3.35Å; D410-K412 PolarHBondContact O-N 2.81Å; D410-K412 PolarHBondContact O-NZ 3.32Å
413	A	96.7	Very high	98	Very high	10 Å²	10	31.9 Å²	31.9	8%	0.083	18%	0.18	C	C	.	.			trans	-62.6	141.6	166.6	0	0	0	0	0	109.6	S385 I388 V408 D411 L415	S385-A413 PolarHBondContact OG-N 3.25Å; I388-A413 HydrophobicContact CG2-CB 3.62Å; V408-A413 HydrophobicContact CG1-CB 3.88Å; V408-A413 WeakPolarHBondContact O-CB 3.27Å; V408-A413 PolarHBondContact O-N 2.89Å; D411-A413 PolarHBondContact O-N 2.91Å; A413-L415 HydrophobicContact CB-CD2 4.14Å; A413-L415 PolarHBondContact O-N 2.83Å
414	K	96.9	Very high	98	Very high	167 Å²	167	33.7 Å²	33.7	73%	0.726	19%	0.186	S	C	*	.			trans	-84.6	109.2	176.8	161.5	-173.1	-176.5	-174.2	0	109.1	Q389	Q389-K414 PolarHBondContact NE2-O 3.43Å
415	L	97.5	Very high	98	Very high	13 Å²	13	37 Å²	37	7%	0.068	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-88.8	148	-178.5	-42.2	-178.6	0	0	0	111.3	L392 V408 F409 A413 T419 V421 F441	L392-L415 HydrophobicContact CD1-CD2 3.84Å; V408-L415 HydrophobicContact CG1-CD2 3.7Å; F409-L415 HydrophobicContact CB-CD1 4.31Å; F409-L415 HydrophobicContact CD2-CD1 4.22Å; A413-L415 HydrophobicContact CB-CD2 4.14Å; A413-L415 PolarHBondContact O-N 2.83Å; L415-T419 HydrophobicContact CB-CG2 4.15Å; L415-T419 HydrophobicContact CD1-CG2 4.13Å; L415-V421 HydrophobicContact CD1-CG2 3.81Å; L415-F441 HydrophobicContact CB-CD1 4.44Å; L415-F441 HydrophobicContact CB-CE1 3.75Å; L415-F441 HydrophobicContact CB-CE2 4.41Å; L415-F441 HydrophobicContact CB-CZ 3.73Å; L415-F441 HydrophobicContact CD1-CD2 4.38Å; L415-F441 HydrophobicContact CD1-CE2 4.28Å; L415-F441 HydrophobicContact CD1-CZ 4.4Å; L415-F441 HydrophobicContact CG-CZ 4.36Å
416	A	95.4	Very high	97.9	Very high	49 Å²	49	42 Å²	42	41%	0.405	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-73	148.9	173.4	0	0	0	0	0	110.4	G418 T419 F441	A416-G418 PolarHBondContact O-N 2.96Å; A416-T419 PolarHBondContact N-OG1 3.25Å; A416-T419 WeakPolarHBondContact O-CB 3.32Å; A416-T419 PolarHBondContact O-N 3.07Å; A416-T419 PolarHBondContact O-OG1 2.88Å; A416-T419 VanDerWaalsContact O-OG1 3.07Å; A416-F441 WeakPolarHBondContact O-CE1 3.49Å
417	P	96.9	Very high	97.8	Very high	131 Å²	131	47 Å²	47	85%	0.851	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	128.4	172.5	-24.9	34.6	0	0	0	111.2
418	G	96.6	Very high	97.8	Very high	43 Å²	43	48.8 Å²	48.8	44%	0.443	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.3	-177.2	0	0	0	0	0	115.3	A416 I420	A416-G418 PolarHBondContact O-N 2.96Å; G418-I420 PolarHBondContact O-N 3.22Å
419	T	98.7	Very high	97.8	Very high	6 Å²	6	50.9 Å²	50.9	4%	0.037	29%	0.288	C	S	.	.			trans	-57	129	164.6	-62.9	0	0	0	0	109.2	L392 V404 L415 A416 P442	L392-T419 HydrophobicContact CD2-CG2 4.48Å; V404-T419 HydrophobicContact CG2-CG2 4.04Å; L415-T419 HydrophobicContact CB-CG2 4.15Å; L415-T419 HydrophobicContact CD1-CG2 4.13Å; A416-T419 PolarHBondContact N-OG1 3.25Å; A416-T419 WeakPolarHBondContact O-CB 3.32Å; A416-T419 PolarHBondContact O-N 3.07Å; A416-T419 PolarHBondContact O-OG1 2.88Å; A416-T419 VanDerWaalsContact O-OG1 3.07Å; T419-P442 WeakPolarHBondContact O-CD 3.49Å
420	I	98.9	Very high	97.8	Very high	4 Å²	4	52 Å²	52	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.9	178.3	-52.7	173.9	0	0	0	107.9	F348 S402 I403 V404 G418 P442 I444 I482	F348-I420 HydrophobicContact CD1-CD1 3.76Å; F348-I420 HydrophobicContact CD1-CG1 4.36Å; F348-I420 HydrophobicContact CE1-CD1 3.38Å; F348-I420 HydrophobicContact CE1-CG1 3.85Å; F348-I420 HydrophobicContact CE2-CD1 4.24Å; F348-I420 HydrophobicContact CG-CD1 4.34Å; F348-I420 HydrophobicContact CZ-CD1 3.65Å; F348-I420 HydrophobicContact CZ-CG1 4.43Å; S402-I420 PolarHBondContact O-N 2.86Å; I403-I420 WeakPolarHBondContact CA-O 3.43Å; I403-I420 HydrophobicContact CB-CB 4.38Å; I403-I420 HydrophobicContact CD1-CB 4.4Å; I403-I420 HydrophobicContact CD1-CD1 3.92Å; I403-I420 HydrophobicContact CG1-CB 4Å; I403-I420 HydrophobicContact CG1-CD1 4.07Å; I403-I420 HydrophobicContact CG1-CG1 4.41Å; I403-I420 HydrophobicContact CG2-CB 4.11Å; I403-I420 HydrophobicContact CG2-CG2 4.19Å; V404-I420 PolarHBondContact N-O 3.45Å; G418-I420 PolarHBondContact O-N 3.22Å; I420-P442 WeakPolarHBondContact CA-O 3.34Å; I420-P442 HydrophobicContact CG1-CB 4.12Å; I420-P442 HydrophobicContact CG1-CG 4.49Å; I420-P442 HydrophobicContact CG2-CB 4.44Å; I420-I444 HydrophobicContact CG2-CD1 3.6Å; I420-I444 HydrophobicContact CG2-CG1 3.75Å; I420-I482 HydrophobicContact CD1-CD1 3.76Å; I420-I482 HydrophobicContact CG1-CD1 4.32Å; I420-I482 HydrophobicContact CG2-CD1 4Å
421	V	98.9	Very high	97.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.8	173.8	-177.9	0	0	0	0	108.8	V404 Q406 F409 L415 V436 F441 P442 V443 I444	V404-V421 HydrophobicContact CG2-CG2 4.24Å; V404-V421 WeakPolarHBondContact O-CA 3.29Å; Q406-V421 HydrophobicContact CB-CG1 4.29Å; F409-V421 HydrophobicContact CB-CG1 4.08Å; F409-V421 HydrophobicContact CB-CG2 4.13Å; L415-V421 HydrophobicContact CD1-CG2 3.81Å; V421-V436 HydrophobicContact CB-CG1 3.81Å; V421-V436 HydrophobicContact CB-CG2 4.36Å; V421-V436 HydrophobicContact CG1-CG1 4.4Å; V421-V436 HydrophobicContact CG1-CG2 4.04Å; V421-V436 HydrophobicContact CG2-CG1 4.06Å; V421-F441 HydrophobicContact CG2-CB 4.4Å; V421-P442 PolarHBondContact N-O 2.75Å; V421-V443 WeakPolarHBondContact O-CA 3.11Å; V421-V443 WeakPolarHBondContact O-CG2 3.46Å; V421-I444 PolarHBondContact O-N 2.74Å
422	E	98.9	Very high	97.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.6	173.9	-166.7	170.3	160.7	0	0	111.2	H235 H350 I403 V404 W405 Q406 I444 S446	H235-E422 IonicContact CE1-OE2 3.41Å; H235-E422 IonicContact ND1-OE2 3.79Å; H350-E422 IonicContact NE2-OE2 3.75Å; I403-E422 HydrophobicContact CG2-CB 4.39Å; V404-E422 PolarHBondContact O-N 3.16Å; W405-E422 HydrophobicContact CE3-CB 3.74Å; W405-E422 HydrophobicContact CE3-CG 3.85Å; W405-E422 HydrophobicContact CH2-CG 4.24Å; W405-E422 WeakPolarHBondContact CH2-OE1 3.4Å; W405-E422 HydrophobicContact CZ3-CB 3.82Å; W405-E422 HydrophobicContact CZ3-CG 3.39Å; W405-E422 WeakPolarHBondContact CZ3-OE1 3.38Å; Q406-E422 PolarHBondContact N-O 3.22Å; E422-I444 WeakPolarHBondContact CA-O 3.25Å; E422-I444 HydrophobicContact CB-CB 4.33Å; E422-I444 HydrophobicContact CG-CB 3.99Å; E422-I444 HydrophobicContact CG-CG2 3.75Å; E422-S446 WeakPolarHBondContact OE1-CB 3.17Å; E422-S446 PolarHBondContact OE1-OG 3.08Å
423	V	98.9	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.4	-178.7	176.2	0	0	0	0	109.8	E432 L433 V436 V443 I444 L445 S446 A447	V423-E432 HydrophobicContact CG1-CB 3.86Å; V423-E432 HydrophobicContact CG1-CG 3.96Å; V423-E432 HydrophobicContact CG2-CB 4.29Å; V423-E432 HydrophobicContact CG2-CG 3.81Å; V423-L433 HydrophobicContact CB-CD2 4.18Å; V423-L433 HydrophobicContact CG2-CD2 4.04Å; V423-V436 HydrophobicContact CG2-CG2 4.32Å; V423-V443 HydrophobicContact CG2-CG2 3.68Å; V423-I444 PolarHBondContact N-O 2.84Å; V423-L445 HydrophobicContact CB-CD1 4.39Å; V423-L445 HydrophobicContact CG1-CD1 4.28Å; V423-S446 PolarHBondContact O-N 2.97Å; V423-A447 PolarHBondContact O-N 3.3Å; V423-A447 VanDerWaalsContact O-N 3.1Å
424	W	98.8	Very high	98.1	Very high	37 Å²	37	49.1 Å²	49.1	14%	0.14	29%	0.285	C	S	.	.			trans	-124.7	-21	-169.9	78.4	-97	0	0	0	114	D354 E355 W405 Q406 E407 D426 A447 Y450	D354-W424 HydrophobicContact CB-CZ2 4.43Å; E355-W424 HydrophobicContact CG-CH2 4.04Å; E355-W424 HydrophobicContact CG-CZ2 3.92Å; W405-W424 AromaticContact CD2-CD1 3.98Å; W405-W424 HydrophobicContact CE3-CB 3.75Å; W405-W424 AromaticContact CE3-CD1 3.49Å; W405-W424 VanDerWaalsContact CE3-CD1 3.49Å; W405-W424 AromaticContact CE3-CG 3.84Å; W405-W424 HydrophobicContact CE3-CG 3.84Å; W405-W424 HydrophobicContact CZ3-CB 3.64Å; W405-W424 HydrophobicContact CZ3-CG 4.18Å; Q406-W424 VanDerWaalsContact OE1-N 3.16Å; E407-W424 VanDerWaalsContact OE1-CZ2 3.22Å; E407-W424 WeakPolarHBondContact OE1-CZ2 3.38Å; E407-W424 PolarHBondContact OE1-NE1 2.76Å; E407-W424 PolarHBondContact OE2-NE1 3.43Å; W424-D426 PolarHBondContact O-N 3.43Å; W424-A447 WeakPolarHBondContact O-CA 3.3Å; W424-A447 VanDerWaalsContact O-CB 3.23Å; W424-A447 WeakPolarHBondContact O-CB 3.3Å; W424-Y450 HydrophobicContact CB-CE1 4.17Å; W424-Y450 WeakPolarHBondContact CB-OH 3.08Å; W424-Y450 AromaticContact CE3-CE2 3.98Å; W424-Y450 HydrophobicContact CE3-CE2 3.98Å; W424-Y450 AromaticContact CE3-CZ 3.7Å; W424-Y450 HydrophobicContact CZ3-CE2 4.36Å
425	K	98.4	Very high	98.2	Very high	70 Å²	70	46.2 Å²	46.2	30%	0.304	27%	0.27	S	S	.	.			trans	-76.6	119	178.3	-64.4	-179.3	179.4	167.5	0	110.2	Q406 E407 S427	Q406-K425 HydrophobicContact CG-CD 4.3Å; Q406-K425 HydrophobicContact CG-CG 4.34Å; E407-K425 VanDerWaalsContact CD-CE 3.45Å; E407-K425 WeakPolarHBondContact OE1-CE 3.38Å; E407-K425 IonicContact OE1-NZ 3.72Å; E407-K425 PolarHBondContact OE1-NZ 2.92Å; E407-K425 IonicContact OE2-NZ 3.83Å; K425-S427 PolarHBondContact O-N 3.12Å; K425-S427 VanDerWaalsContact O-N 3.14Å
426	D	97.3	Very high	98.2	Very high	105 Å²	105	45.6 Å²	45.6	56%	0.561	27%	0.267	S	S	*	.			trans	-68	-14.9	-177	-159	37.2	0	0	0	113.5	W424 A428	W424-D426 PolarHBondContact O-N 3.43Å; D426-A428 PolarHBondContact O-N 3.26Å
427	S	97.6	Very high	98.4	Very high	110 Å²	110	43.3 Å²	43.3	77%	0.769	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	98.3	177.8	179	0	0	0	0	112	K425 Y429	K425-S427 PolarHBondContact O-N 3.12Å; K425-S427 VanDerWaalsContact O-N 3.14Å; S427-Y429 VanDerWaalsContact C-N 3.26Å; S427-Y429 PolarHBondContact O-N 2.82Å
428	A	97.7	Very high	98.5	Very high	49 Å²	49	40.2 Å²	40.2	41%	0.405	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	38.8	176.7	0	0	0	0	0	113.6	D426 P430 E431	D426-A428 PolarHBondContact O-N 3.26Å; A428-P430 WeakPolarHBondContact O-CD 3.38Å; A428-E431 HydrophobicContact CB-CG 4.48Å; A428-E431 WeakPolarHBondContact O-CB 3.41Å; A428-E431 PolarHBondContact O-N 3.29Å
429	Y	98.6	Very high	98.6	Very high	47 Å²	47	41.3 Å²	41.3	18%	0.184	23%	0.234	C	C	.	.	H	α-helix	trans	-50.7	-29.7	179	70.2	-99.7	0	0	0	115.4	S427 E431 E432 L433 L445 A447 P448	S427-Y429 VanDerWaalsContact C-N 3.26Å; S427-Y429 PolarHBondContact O-N 2.82Å; Y429-E431 PolarHBondContact O-N 3.25Å; Y429-E432 WeakPolarHBondContact O-CB 3.45Å; Y429-E432 PolarHBondContact O-N 3.35Å; Y429-L433 HydrophobicContact CD2-CD1 4.21Å; Y429-L433 WeakPolarHBondContact O-CG 3.26Å; Y429-L433 PolarHBondContact O-N 3.1Å; Y429-L445 HydrophobicContact CD2-CD1 3.67Å; Y429-L445 HydrophobicContact CD2-CD2 4.37Å; Y429-L445 HydrophobicContact CE2-CD1 4.22Å; Y429-L445 HydrophobicContact CE2-CD2 4.12Å; Y429-L445 HydrophobicContact CG-CD1 4.16Å; Y429-A447 HydrophobicContact CD1-CB 4.13Å; Y429-A447 HydrophobicContact CG-CB 4.13Å; Y429-P448 HydrophobicContact CE1-CB 4.1Å; Y429-P448 HydrophobicContact CE1-CG 4.32Å
430	P	98.7	Very high	98.6	Very high	43 Å²	43	43.1 Å²	43.1	28%	0.279	25%	0.254	S	S	.	.	H	α-helix	trans	-61.1	-31.8	175	-24.8	36.6	0	0	0	113	A428 S434 F471	A428-P430 WeakPolarHBondContact O-CD 3.38Å; P430-S434 PolarHBondContact O-N 3.16Å; P430-S434 VanDerWaalsContact O-N 3.12Å; P430-S434 PolarHBondContact O-OG 2.88Å; P430-F471 HydrophobicContact CB-CB 3.98Å; P430-F471 WeakPolarHBondContact O-CB 3.46Å
431	E	98.7	Very high	98.6	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-71.1	-35.5	174.6	-61.6	-177.6	-149.1	0	0	111.3	A428 Y429 S434 R435	A428-E431 HydrophobicContact CB-CG 4.48Å; A428-E431 WeakPolarHBondContact O-CB 3.41Å; A428-E431 PolarHBondContact O-N 3.29Å; Y429-E431 PolarHBondContact O-N 3.25Å; E431-S434 WeakPolarHBondContact O-CB 3.34Å; E431-S434 PolarHBondContact O-N 3.39Å; E431-R435 WeakPolarHBondContact O-CG 3.37Å; E431-R435 PolarHBondContact O-N 2.97Å
432	E	98.8	Very high	98.6	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-47.2	174.5	-160.4	67.7	-94.6	0	0	111.4	Q406 D410 V423 Y429 S434 R435 V436	Q406-E432 PolarHBondContact NE2-OE2 3.45Å; Q406-E432 VanDerWaalsContact NE2-OE2 3.16Å; D410-E432 VanDerWaalsContact OD1-CD 3.23Å; D410-E432 VanDerWaalsContact OD1-OE1 3.07Å; V423-E432 HydrophobicContact CG1-CB 3.86Å; V423-E432 HydrophobicContact CG1-CG 3.96Å; V423-E432 HydrophobicContact CG2-CB 4.29Å; V423-E432 HydrophobicContact CG2-CG 3.81Å; Y429-E432 WeakPolarHBondContact O-CB 3.45Å; Y429-E432 PolarHBondContact O-N 3.35Å; E432-S434 PolarHBondContact O-N 2.99Å; E432-R435 PolarHBondContact O-N 3.41Å; E432-R435 IonicContact OE1-CZ 3.78Å; E432-R435 IonicContact OE1-NE 2.67Å; E432-R435 PolarHBondContact OE1-NE 3.29Å; E432-R435 IonicContact OE1-NH2 3.4Å; E432-R435 PolarHBondContact OE1-NH2 3.05Å; E432-R435 VanDerWaalsContact OE1-NH2 3.16Å; E432-R435 IonicContact OE2-CZ 3.8Å; E432-R435 IonicContact OE2-NE 2.8Å; E432-R435 IonicContact OE2-NH2 3.43Å; E432-R435 PolarHBondContact OE2-NH2 3.34Å; E432-V436 HydrophobicContact CG-CG2 4.36Å; E432-V436 WeakPolarHBondContact O-CG2 3.44Å; E432-V436 PolarHBondContact O-N 2.94Å
433	L	98.8	Very high	98.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-41.2	172.7	-65.5	179	0	0	0	111.1	V423 Y429 T437 V443 L445 F471 F481	V423-L433 HydrophobicContact CB-CD2 4.18Å; V423-L433 HydrophobicContact CG2-CD2 4.04Å; Y429-L433 HydrophobicContact CD2-CD1 4.21Å; Y429-L433 WeakPolarHBondContact O-CG 3.26Å; Y429-L433 PolarHBondContact O-N 3.1Å; L433-T437 WeakPolarHBondContact O-CB 3.33Å; L433-T437 VanDerWaalsContact O-CG2 3.26Å; L433-T437 WeakPolarHBondContact O-CG2 3.08Å; L433-T437 PolarHBondContact O-N 2.89Å; L433-T437 VanDerWaalsContact O-N 3.1Å; L433-T437 PolarHBondContact O-OG1 3.13Å; L433-V443 HydrophobicContact CD2-CB 4.48Å; L433-V443 HydrophobicContact CD2-CG1 4.06Å; L433-V443 HydrophobicContact CD2-CG2 3.55Å; L433-L445 HydrophobicContact CD1-CD1 4.45Å; L433-L445 HydrophobicContact CD1-CD2 4.43Å; L433-L445 HydrophobicContact CD2-CB 4.5Å; L433-L445 HydrophobicContact CD2-CD1 4.38Å; L433-F471 HydrophobicContact CB-CB 4.25Å; L433-F471 HydrophobicContact CB-CD1 3.98Å; L433-F471 HydrophobicContact CB-CD2 4.07Å; L433-F471 HydrophobicContact CB-CE1 4.31Å; L433-F471 HydrophobicContact CB-CE2 4.4Å; L433-F471 HydrophobicContact CB-CG 3.85Å; L433-F471 HydrophobicContact CD1-CD1 3.76Å; L433-F471 HydrophobicContact CD1-CE1 4.25Å; L433-F471 HydrophobicContact CD1-CG 4.29Å; L433-F481 HydrophobicContact CD1-CE2 4.37Å; L433-F481 HydrophobicContact CD2-CD2 4.28Å; L433-F481 HydrophobicContact CD2-CE2 4.3Å
434	S	98.8	Very high	98.6	Very high	28 Å²	28	45.7 Å²	45.7	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-43.8	177.2	-52.7	0	0	0	0	111.7	P430 E431 E432 T437 A438 G472	P430-S434 PolarHBondContact O-N 3.16Å; P430-S434 VanDerWaalsContact O-N 3.12Å; P430-S434 PolarHBondContact O-OG 2.88Å; E431-S434 WeakPolarHBondContact O-CB 3.34Å; E431-S434 PolarHBondContact O-N 3.39Å; E432-S434 PolarHBondContact O-N 2.99Å; S434-T437 PolarHBondContact O-OG1 3.1Å; S434-A438 WeakPolarHBondContact O-CB 3.07Å; S434-A438 PolarHBondContact O-N 3.16Å; S434-G472 VanDerWaalsContact CB-O 3.3Å; S434-G472 WeakPolarHBondContact CB-O 3.4Å; S434-G472 PolarHBondContact OG-N 3.43Å; S434-G472 PolarHBondContact OG-O 3.36Å
435	R	98.8	Very high	98.6	Very high	106 Å²	106	44 Å²	44	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-67.9	-46.8	179.4	-73.8	-170.1	-67.8	-92.8	15.4	113.2	F409 E431 E432 A438 S439	F409-R435 HydrophobicContact CE1-CB 4.05Å; F409-R435 HydrophobicContact CZ-CB 4.37Å; E431-R435 WeakPolarHBondContact O-CG 3.37Å; E431-R435 PolarHBondContact O-N 2.97Å; E432-R435 PolarHBondContact O-N 3.41Å; E432-R435 IonicContact OE1-CZ 3.78Å; E432-R435 IonicContact OE1-NE 2.67Å; E432-R435 PolarHBondContact OE1-NE 3.29Å; E432-R435 IonicContact OE1-NH2 3.4Å; E432-R435 PolarHBondContact OE1-NH2 3.05Å; E432-R435 VanDerWaalsContact OE1-NH2 3.16Å; E432-R435 IonicContact OE2-CZ 3.8Å; E432-R435 IonicContact OE2-NE 2.8Å; E432-R435 IonicContact OE2-NH2 3.43Å; E432-R435 PolarHBondContact OE2-NH2 3.34Å; R435-A438 PolarHBondContact O-N 3.01Å; R435-S439 PolarHBondContact O-N 3.12Å; R435-S439 VanDerWaalsContact O-N 3.13Å; R435-S439 PolarHBondContact O-OG 3.25Å
436	V	98.8	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-50.8	180	173	0	0	0	0	109.8	F409 V421 V423 E432 A438 S439 G440 F441 V443	F409-V436 HydrophobicContact CD1-CG2 3.75Å; F409-V436 HydrophobicContact CE1-CG2 3.77Å; F409-V436 HydrophobicContact CG-CG2 4.2Å; F409-V436 HydrophobicContact CZ-CG2 4.25Å; V421-V436 HydrophobicContact CB-CG1 3.81Å; V421-V436 HydrophobicContact CB-CG2 4.36Å; V421-V436 HydrophobicContact CG1-CG1 4.4Å; V421-V436 HydrophobicContact CG1-CG2 4.04Å; V421-V436 HydrophobicContact CG2-CG1 4.06Å; V423-V436 HydrophobicContact CG2-CG2 4.32Å; E432-V436 HydrophobicContact CG-CG2 4.36Å; E432-V436 WeakPolarHBondContact O-CG2 3.44Å; E432-V436 PolarHBondContact O-N 2.94Å; V436-A438 PolarHBondContact O-N 3.48Å; V436-S439 WeakPolarHBondContact O-CA 3.39Å; V436-S439 WeakPolarHBondContact O-CB 3.39Å; V436-S439 PolarHBondContact O-N 2.91Å; V436-S439 VanDerWaalsContact O-N 3.08Å; V436-G440 PolarHBondContact O-N 2.97Å; V436-F441 HydrophobicContact CG1-CB 4.07Å; V436-F441 PolarHBondContact O-N 3.34Å; V436-V443 HydrophobicContact CB-CG2 4.32Å; V436-V443 HydrophobicContact CG1-CB 3.85Å; V436-V443 HydrophobicContact CG1-CG2 3.94Å
437	T	98.8	Very high	98.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-32.7	-179.2	60	0	0	0	0	112.8	L433 S434 S439 G440 V443 F471 Q477 L480	L433-T437 WeakPolarHBondContact O-CB 3.33Å; L433-T437 VanDerWaalsContact O-CG2 3.26Å; L433-T437 WeakPolarHBondContact O-CG2 3.08Å; L433-T437 PolarHBondContact O-N 2.89Å; L433-T437 VanDerWaalsContact O-N 3.1Å; L433-T437 PolarHBondContact O-OG1 3.13Å; S434-T437 PolarHBondContact O-OG1 3.1Å; T437-S439 PolarHBondContact O-N 3.12Å; T437-G440 PolarHBondContact O-N 2.71Å; T437-V443 HydrophobicContact CG2-CB 4.37Å; T437-V443 HydrophobicContact CG2-CG1 3.57Å; T437-F471 HydrophobicContact CG2-CE2 4.35Å; T437-F471 HydrophobicContact CG2-CZ 4.31Å; T437-Q477 WeakPolarHBondContact CG2-O 3.2Å; T437-L480 HydrophobicContact CG2-CB 3.97Å; T437-L480 WeakPolarHBondContact O-CD1 3.48Å
438	A	98.6	Very high	98.7	Very high	66 Å²	66	31.3 Å²	31.3	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-31.4	170.9	0	0	0	0	0	112.4	S434 R435 V436 G440	S434-A438 WeakPolarHBondContact O-CB 3.07Å; S434-A438 PolarHBondContact O-N 3.16Å; R435-A438 PolarHBondContact O-N 3.01Å; V436-A438 PolarHBondContact O-N 3.48Å; A438-G440 PolarHBondContact O-N 2.95Å
439	S	98.5	Very high	98.8	Very high	65 Å²	65	29 Å²	29	46%	0.455	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.3	176.3	-52.4	0	0	0	0	113.4	F409 R435 V436 T437	F409-S439 WeakPolarHBondContact CE2-OG 3.38Å; F409-S439 WeakPolarHBondContact CZ-OG 3.37Å; R435-S439 PolarHBondContact O-N 3.12Å; R435-S439 VanDerWaalsContact O-N 3.13Å; R435-S439 PolarHBondContact O-OG 3.25Å; V436-S439 WeakPolarHBondContact O-CA 3.39Å; V436-S439 WeakPolarHBondContact O-CB 3.39Å; V436-S439 PolarHBondContact O-N 2.91Å; V436-S439 VanDerWaalsContact O-N 3.08Å; T437-S439 PolarHBondContact O-N 3.12Å
440	G	98.5	Very high	98.8	Very high	45 Å²	45	28 Å²	28	46%	0.464	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	10.1	174.1	0	0	0	0	0	115.4	V436 T437 A438	V436-G440 PolarHBondContact O-N 2.97Å; T437-G440 PolarHBondContact O-N 2.71Å; A438-G440 PolarHBondContact O-N 2.95Å
441	F	98.8	Very high	98.8	Very high	33 Å²	33	26 Å²	26	15%	0.145	15%	0.154	C	C	.	.			trans	-91	141.4	178.6	-62	-66.3	0	0	0	111.8	F409 L415 A416 V421 V436	F409-F441 HydrophobicContact CD2-CD2 4.21Å; F409-F441 HydrophobicContact CD2-CE2 4.42Å; F409-F441 HydrophobicContact CE2-CD2 4.07Å; F409-F441 HydrophobicContact CE2-CE2 4.27Å; L415-F441 HydrophobicContact CB-CD1 4.44Å; L415-F441 HydrophobicContact CB-CE1 3.75Å; L415-F441 HydrophobicContact CB-CE2 4.41Å; L415-F441 HydrophobicContact CB-CZ 3.73Å; L415-F441 HydrophobicContact CD1-CD2 4.38Å; L415-F441 HydrophobicContact CD1-CE2 4.28Å; L415-F441 HydrophobicContact CD1-CZ 4.4Å; L415-F441 HydrophobicContact CG-CZ 4.36Å; A416-F441 WeakPolarHBondContact O-CE1 3.49Å; V421-F441 HydrophobicContact CG2-CB 4.4Å; V436-F441 HydrophobicContact CG1-CB 4.07Å; V436-F441 PolarHBondContact O-N 3.34Å
442	P	98.9	Very high	98.8	Very high	25 Å²	25	21.5 Å²	21.5	16%	0.162	13%	0.133	C	C	.	.			trans	-59	146.5	165.6	-18.9	30.5	0	0	0	111.3	T419 I420 V421 L480 I482	T419-P442 WeakPolarHBondContact O-CD 3.49Å; I420-P442 WeakPolarHBondContact CA-O 3.34Å; I420-P442 HydrophobicContact CG1-CB 4.12Å; I420-P442 HydrophobicContact CG1-CG 4.49Å; I420-P442 HydrophobicContact CG2-CB 4.44Å; V421-P442 PolarHBondContact N-O 2.75Å; P442-L480 CarbonylContact C-O 3.56Å; P442-L480 VanDerWaalsContact CA-O 3.25Å; P442-L480 WeakPolarHBondContact CA-O 3.4Å; P442-I482 HydrophobicContact CB-CD1 4.4Å; P442-I482 HydrophobicContact CB-CG2 4.35Å
443	V	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138.7	-176.2	69.7	0	0	0	0	112.5	V421 V423 L433 V436 T437 L480 F481 I482	V421-V443 WeakPolarHBondContact O-CA 3.11Å; V421-V443 WeakPolarHBondContact O-CG2 3.46Å; V423-V443 HydrophobicContact CG2-CG2 3.68Å; L433-V443 HydrophobicContact CD2-CB 4.48Å; L433-V443 HydrophobicContact CD2-CG1 4.06Å; L433-V443 HydrophobicContact CD2-CG2 3.55Å; V436-V443 HydrophobicContact CB-CG2 4.32Å; V436-V443 HydrophobicContact CG1-CB 3.85Å; V436-V443 HydrophobicContact CG1-CG2 3.94Å; T437-V443 HydrophobicContact CG2-CB 4.37Å; T437-V443 HydrophobicContact CG2-CG1 3.57Å; V443-L480 PolarHBondContact N-O 3.39Å; V443-F481 HydrophobicContact CG1-CB 4.07Å; V443-F481 HydrophobicContact CG1-CD2 3.91Å; V443-F481 HydrophobicContact CG1-CG 4.37Å; V443-I482 WeakPolarHBondContact O-CG1 3.32Å; V443-I482 PolarHBondContact O-N 3.12Å; V443-I482 VanDerWaalsContact O-N 3.07Å
444	I	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.7	169.9	-67.5	167.4	0	0	0	107.8	H202 I403 I420 V421 E422 V423 I482 E485	H202-I444 HydrophobicContact CB-CG1 4.5Å; H202-I444 VanDerWaalsContact CE1-CD1 3.5Å; H202-I444 WeakPolarHBondContact CE1-CD1 3.4Å; H202-I444 WeakPolarHBondContact NE2-CD1 3.35Å; I403-I444 HydrophobicContact CD1-CD1 4.11Å; I403-I444 HydrophobicContact CG2-CD1 4.5Å; I420-I444 HydrophobicContact CG2-CD1 3.6Å; I420-I444 HydrophobicContact CG2-CG1 3.75Å; V421-I444 PolarHBondContact O-N 2.74Å; E422-I444 WeakPolarHBondContact CA-O 3.25Å; E422-I444 HydrophobicContact CB-CB 4.33Å; E422-I444 HydrophobicContact CG-CB 3.99Å; E422-I444 HydrophobicContact CG-CG2 3.75Å; V423-I444 PolarHBondContact N-O 2.84Å; I444-I482 HydrophobicContact CD1-CD1 4.18Å; I444-I482 HydrophobicContact CG1-CD1 3.89Å; I444-I482 HydrophobicContact CG1-CG1 3.8Å; I444-E485 HydrophobicContact CG2-CG 3.79Å
445	L	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.6	175.6	178	68.5	0	0	0	111.2	V423 Y429 L433 A447 P448 W449 V466 P468 F481 G483 G484 E485	V423-L445 HydrophobicContact CB-CD1 4.39Å; V423-L445 HydrophobicContact CG1-CD1 4.28Å; Y429-L445 HydrophobicContact CD2-CD1 3.67Å; Y429-L445 HydrophobicContact CD2-CD2 4.37Å; Y429-L445 HydrophobicContact CE2-CD1 4.22Å; Y429-L445 HydrophobicContact CE2-CD2 4.12Å; Y429-L445 HydrophobicContact CG-CD1 4.16Å; L433-L445 HydrophobicContact CD1-CD1 4.45Å; L433-L445 HydrophobicContact CD1-CD2 4.43Å; L433-L445 HydrophobicContact CD2-CB 4.5Å; L433-L445 HydrophobicContact CD2-CD1 4.38Å; L445-A447 HydrophobicContact CD1-CB 4.01Å; L445-P448 HydrophobicContact CD2-CG 4.04Å; L445-P448 HydrophobicContact CG-CG 4.28Å; L445-W449 HydrophobicContact CB-CZ3 4.17Å; L445-W449 HydrophobicContact CD2-CH2 4.19Å; L445-W449 HydrophobicContact CD2-CZ3 4.03Å; L445-W449 HydrophobicContact CG-CE3 4.44Å; L445-W449 HydrophobicContact CG-CZ3 4.06Å; L445-W449 VanDerWaalsContact O-CE3 3.29Å; L445-W449 VanDerWaalsContact O-CZ3 3.26Å; L445-W449 WeakPolarHBondContact O-CZ3 3.33Å; L445-V466 HydrophobicContact CD2-CG1 4.45Å; L445-P468 HydrophobicContact CD2-CB 4.18Å; L445-F481 HydrophobicContact CB-CE2 3.7Å; L445-F481 HydrophobicContact CB-CZ 3.96Å; L445-F481 HydrophobicContact CD2-CE2 4.35Å; L445-G483 PolarHBondContact N-O 3Å; L445-G483 VanDerWaalsContact N-O 3.12Å; L445-G484 CarbonylContact O-C 3.53Å; L445-G484 WeakPolarHBondContact O-CA 3.34Å; L445-E485 PolarHBondContact O-N 3.07Å
446	S	98.9	Very high	98.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.			trans	-128.8	-15.5	168.2	49.4	0	0	0	0	113.4	E422 V423 W449 Y450 C487	E422-S446 WeakPolarHBondContact OE1-CB 3.17Å; E422-S446 PolarHBondContact OE1-OG 3.08Å; V423-S446 PolarHBondContact O-N 2.97Å; S446-W449 CarbonylContact O-C 3.48Å; S446-W449 WeakPolarHBondContact O-CA 3.3Å; S446-W449 PolarHBondContact O-N 2.6Å; S446-Y450 WeakPolarHBondContact O-CD1 3.35Å; S446-C487 VanDerWaalsContact CB-SG 3.53Å
447	A	98.8	Very high	98.6	Very high	5 Å²	5	40 Å²	40	4%	0.041	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-45.1	-51.4	-173.6	0	0	0	0	0	116.4	V423 W424 Y429 L445 W449	V423-A447 PolarHBondContact O-N 3.3Å; V423-A447 VanDerWaalsContact O-N 3.1Å; W424-A447 WeakPolarHBondContact O-CA 3.3Å; W424-A447 VanDerWaalsContact O-CB 3.23Å; W424-A447 WeakPolarHBondContact O-CB 3.3Å; Y429-A447 HydrophobicContact CD1-CB 4.13Å; Y429-A447 HydrophobicContact CG-CB 4.13Å; L445-A447 HydrophobicContact CD1-CB 4.01Å; A447-W449 PolarHBondContact O-N 3.43Å
448	P	98.8	Very high	98.6	Very high	15 Å²	15	41.9 Å²	41.9	10%	0.097	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-81.4	2.9	-179.3	35.6	-38.3	0	0	0	113.7	Y429 L445 Y463 V466	Y429-P448 HydrophobicContact CE1-CB 4.1Å; Y429-P448 HydrophobicContact CE1-CG 4.32Å; L445-P448 HydrophobicContact CD2-CG 4.04Å; L445-P448 HydrophobicContact CG-CG 4.28Å; P448-Y463 VanDerWaalsContact O-CD1 3.25Å; P448-Y463 WeakPolarHBondContact O-CD1 3.47Å; P448-Y463 WeakPolarHBondContact O-CE1 3.49Å; P448-V466 HydrophobicContact CB-CG2 3.68Å; P448-V466 HydrophobicContact CG-CB 4.46Å; P448-V466 HydrophobicContact CG-CG1 3.83Å; P448-V466 HydrophobicContact CG-CG2 3.83Å
449	W	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-123	30	-170.8	-61.6	-44.1	0	0	0	113.6	L445 S446 A447 L451 Y463 V466 P468 E485 A486 C487 V509 R512 L513	L445-W449 HydrophobicContact CB-CZ3 4.17Å; L445-W449 HydrophobicContact CD2-CH2 4.19Å; L445-W449 HydrophobicContact CD2-CZ3 4.03Å; L445-W449 HydrophobicContact CG-CE3 4.44Å; L445-W449 HydrophobicContact CG-CZ3 4.06Å; L445-W449 VanDerWaalsContact O-CE3 3.29Å; L445-W449 VanDerWaalsContact O-CZ3 3.26Å; L445-W449 WeakPolarHBondContact O-CZ3 3.33Å; S446-W449 CarbonylContact O-C 3.48Å; S446-W449 WeakPolarHBondContact O-CA 3.3Å; S446-W449 PolarHBondContact O-N 2.6Å; A447-W449 PolarHBondContact O-N 3.43Å; W449-L451 PolarHBondContact O-N 3.17Å; W449-L451 VanDerWaalsContact O-N 3.16Å; W449-Y463 AromaticContact CD1-CD1 3.93Å; W449-Y463 PolarHBondContact NE1-O 3.29Å; W449-Y463 VanDerWaalsContact NE1-O 3.11Å; W449-V466 HydrophobicContact CH2-CG1 4.29Å; W449-V466 HydrophobicContact CZ2-CB 3.82Å; W449-V466 HydrophobicContact CZ2-CG1 3.61Å; W449-V466 HydrophobicContact CZ2-CG2 4.48Å; W449-P468 HydrophobicContact CH2-CB 4.4Å; W449-P468 HydrophobicContact CH2-CG 3.63Å; W449-P468 HydrophobicContact CZ2-CG 4.08Å; W449-E485 WeakPolarHBondContact CB-O 3.46Å; W449-A486 HydrophobicContact CB-CB 4.47Å; W449-C487 PolarHBondContact O-N 3.43Å; W449-V509 HydrophobicContact CB-CG2 4.13Å; W449-V509 VanDerWaalsContact CD1-CG2 3.42Å; W449-V509 HydrophobicContact CD2-CG1 3.68Å; W449-V509 HydrophobicContact CD2-CG2 4.25Å; W449-V509 HydrophobicContact CE3-CG1 4.01Å; W449-V509 HydrophobicContact CG-CB 4.49Å; W449-V509 HydrophobicContact CG-CG1 3.96Å; W449-V509 HydrophobicContact CG-CG2 3.69Å; W449-V509 HydrophobicContact CZ2-CG1 4.27Å; W449-V509 HydrophobicContact CZ3-CG1 4.45Å; W449-R512 HydrophobicContact CZ2-CG 4.13Å; W449-L513 HydrophobicContact CH2-CD2 3.72Å; W449-L513 HydrophobicContact CH2-CG 4.36Å; W449-L513 HydrophobicContact CZ3-CD2 4.12Å
450	Y	98.7	Very high	98.6	Very high	27 Å²	27	36.5 Å²	36.5	11%	0.106	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-73.1	102.8	166.8	-82	35.6	0	0	0	109.2	W424 S446 L453 Y463 C487 W489	W424-Y450 HydrophobicContact CB-CE1 4.17Å; W424-Y450 WeakPolarHBondContact CB-OH 3.08Å; W424-Y450 AromaticContact CE3-CE2 3.98Å; W424-Y450 HydrophobicContact CE3-CE2 3.98Å; W424-Y450 AromaticContact CE3-CZ 3.7Å; W424-Y450 HydrophobicContact CZ3-CE2 4.36Å; S446-Y450 WeakPolarHBondContact O-CD1 3.35Å; Y450-L453 HydrophobicContact CD2-CD1 4.35Å; Y450-Y463 PolarHBondContact O-OH 3.43Å; Y450-C487 HydrophobicContact CD1-CB 4.08Å; Y450-C487 HydrophobicContact CE1-CB 4.16Å; Y450-W489 AromaticContact CD2-CD1 3.9Å; Y450-W489 AromaticContact CD2-NE1 3.79Å; Y450-W489 AromaticContact CE2-CD1 3.75Å; Y450-W489 AromaticContact CE2-NE1 3.2Å; Y450-W489 AromaticContact CZ-NE1 3.36Å; Y450-W489 PolarHBondContact OH-NE1 3.2Å
451	L	98.7	Very high	98.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-83.8	-25.7	-176.7	-65.2	179.5	0	0	0	111.6	W449 L453 Y463 A486 C487 L488 L502 R505 A506	W449-L451 PolarHBondContact O-N 3.17Å; W449-L451 VanDerWaalsContact O-N 3.16Å; L451-L453 PolarHBondContact O-N 2.99Å; L451-Y463 HydrophobicContact CD2-CD1 4.48Å; L451-Y463 HydrophobicContact CD2-CD2 3.65Å; L451-Y463 HydrophobicContact CD2-CE1 4.13Å; L451-Y463 HydrophobicContact CD2-CE2 3.3Å; L451-Y463 HydrophobicContact CD2-CG 4.27Å; L451-A486 HydrophobicContact CD1-CB 3.65Å; L451-A486 HydrophobicContact CG-CB 4.2Å; L451-C487 WeakPolarHBondContact CA-O 3.39Å; L451-C487 VanDerWaalsContact CB-O 3.27Å; L451-C487 WeakPolarHBondContact CB-O 3.38Å; L451-C487 PolarHBondContact N-O 2.83Å; L451-L488 HydrophobicContact CB-CD1 4.16Å; L451-L502 HydrophobicContact CD1-CD1 3.65Å; L451-R505 HydrophobicContact CD2-CB 3.83Å; L451-R505 PolarHBondContact O-NH1 3.23Å; L451-R505 PolarHBondContact O-NH2 3.47Å; L451-A506 HydrophobicContact CD1-CB 3.72Å
452	D	98.5	Very high	98.6	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.134	21%	0.209	C	C	.	.	S	Bend	trans	-56.6	-32.8	170.9	57.6	-71.5	0	0	0	112.3	I454 L488 W489	D452-I454 PolarHBondContact O-N 3.01Å; D452-L488 HydrophobicContact CB-CD1 4.25Å; D452-W489 HydrophobicContact CB-CB 4.1Å
453	L	98.5	Very high	98.6	Very high	110 Å²	110	39.5 Å²	39.5	58%	0.576	20%	0.201	S	C	*	.	S	Bend	trans	-73.4	68.5	172.9	-57.2	-176.5	0	0	0	112.5	Y450 L451	Y450-L453 HydrophobicContact CD2-CD1 4.35Å; L451-L453 PolarHBondContact O-N 2.99Å
454	I	98.3	Very high	98.6	Very high	98 Å²	98	39.6 Å²	39.6	50%	0.503	20%	0.201	S	C	.	.			trans	-64.3	147.8	178.7	64.5	172.3	0	0	0	112.2	D452 R501	D452-I454 PolarHBondContact O-N 3.01Å; I454-R501 HydrophobicContact CG2-CG 4.03Å
455	S	98.1	Very high	98.6	Very high	72 Å²	72	45.2 Å²	45.2	50%	0.503	23%	0.226	S	C	.	.			trans	-141.1	160.8	169.6	68.6	0	0	0	0	111.1
456	Y	98	Very high	98.6	Very high	207 Å²	207	45.8 Å²	45.8	81%	0.812	23%	0.229	S	C	*	.	S	Bend	trans	-69	133.1	179.5	178.2	-102.8	0	0	0	111.4
457	G	97.5	Very high	98.5	Very high	46 Å²	46	46.4 Å²	46.4	47%	0.474	23%	0.232	S	C	.	.	S	Bend	trans	102.6	-154.5	173.1	0	0	0	0	0	113.8	D459	G457-D459 VanDerWaalsContact C-N 3.31Å; G457-D459 PolarHBondContact O-N 3.36Å; G457-D459 VanDerWaalsContact O-N 3.13Å
458	Q	98.3	Very high	98.5	Very high	40 Å²	40	46.2 Å²	46.2	19%	0.187	23%	0.231	C	C	.	.			trans	-88.7	58.5	-172.3	-67.2	-169.3	79.5	0	0	112.4	W460 R461	Q458-W460 PolarHBondContact O-N 3.29Å; Q458-W460 VanDerWaalsContact O-N 3.16Å; Q458-W460 VanDerWaalsContact OE1-NE1 3.12Å; Q458-R461 HydrophobicContact CB-CG 4.16Å; Q458-R461 WeakPolarHBondContact O-CB 3.29Å; Q458-R461 PolarHBondContact O-N 3.42Å
459	D	98.7	Very high	98.5	Very high	14 Å²	14	47.1 Å²	47.1	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	-179.8	68.1	-12.9	0	0	0	113.6	G457 R461 K462 Y463 R505	G457-D459 VanDerWaalsContact C-N 3.31Å; G457-D459 PolarHBondContact O-N 3.36Å; G457-D459 VanDerWaalsContact O-N 3.13Å; D459-R461 PolarHBondContact O-N 2.73Å; D459-R461 VanDerWaalsContact O-N 3.07Å; D459-K462 WeakPolarHBondContact O-CA 3.43Å; D459-K462 WeakPolarHBondContact O-CB 3.13Å; D459-K462 PolarHBondContact O-N 3.31Å; D459-Y463 HydrophobicContact CB-CE2 4.13Å; D459-Y463 WeakPolarHBondContact O-CD2 3.06Å; D459-Y463 PolarHBondContact O-N 3.43Å; D459-R505 VanDerWaalsContact CG-CD 3.45Å; D459-R505 WeakPolarHBondContact OD1-CD 3.44Å; D459-R505 WeakPolarHBondContact OD2-CD 3.45Å; D459-R505 IonicContact OD2-CZ 3.93Å; D459-R505 IonicContact OD2-NE 2.69Å; D459-R505 IonicContact OD2-NH1 3.75Å; D459-R505 PolarHBondContact OD2-NH1 3.01Å
460	W	98.7	Very high	98.5	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-49.9	-34.1	170.7	78.7	-91.4	0	0	0	112.8	Q458 K462 Y463 Y464 A508 M522 A525 Y526 L529 L546	Q458-W460 PolarHBondContact O-N 3.29Å; Q458-W460 VanDerWaalsContact O-N 3.16Å; Q458-W460 VanDerWaalsContact OE1-NE1 3.12Å; W460-K462 VanDerWaalsContact C-N 3.32Å; W460-K462 PolarHBondContact O-N 2.67Å; W460-Y463 PolarHBondContact O-N 3.26Å; W460-Y464 HydrophobicContact CZ3-CG 4.31Å; W460-Y464 WeakPolarHBondContact O-CB 3.32Å; W460-Y464 PolarHBondContact O-N 3.34Å; W460-A508 HydrophobicContact CB-CB 4.3Å; W460-A508 HydrophobicContact CE3-CB 4.38Å; W460-A508 WeakPolarHBondContact O-CB 3.35Å; W460-M522 HydrophobicContact CH2-CE 3.73Å; W460-M522 HydrophobicContact CZ2-CE 4.41Å; W460-M522 HydrophobicContact CZ3-CE 3.96Å; W460-A525 HydrophobicContact CH2-CB 4.24Å; W460-A525 HydrophobicContact CZ3-CB 4.19Å; W460-Y526 AromaticContact CZ2-CD2 3.84Å; W460-Y526 HydrophobicContact CZ2-CD2 3.84Å; W460-Y526 HydrophobicContact CZ2-CG 4.5Å; W460-L529 HydrophobicContact CD2-CD2 3.88Å; W460-L529 HydrophobicContact CE3-CD2 3.6Å; W460-L529 HydrophobicContact CG-CD2 4.41Å; W460-L529 HydrophobicContact CZ3-CD2 4Å; W460-L546 HydrophobicContact CB-CD2 4.43Å; W460-L546 HydrophobicContact CD2-CD2 4.22Å; W460-L546 HydrophobicContact CG-CD2 3.8Å
461	R	98.8	Very high	98.5	Very high	48 Å²	48	51 Å²	51	18%	0.181	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-35.7	176.8	-63.6	-174.9	146	-162.8	-8.5	111.8	E41 Q458 D459 K465 M522	E41-R461 IonicContact OE1-NH1 3.71Å; E41-R461 PolarHBondContact OE1-NH1 3.1Å; Q458-R461 HydrophobicContact CB-CG 4.16Å; Q458-R461 WeakPolarHBondContact O-CB 3.29Å; Q458-R461 PolarHBondContact O-N 3.42Å; D459-R461 PolarHBondContact O-N 2.73Å; D459-R461 VanDerWaalsContact O-N 3.07Å; R461-K465 WeakPolarHBondContact O-CB 3.37Å; R461-K465 WeakPolarHBondContact O-CG 3.48Å; R461-K465 PolarHBondContact O-N 3.21Å; R461-K465 VanDerWaalsContact O-N 3.13Å; R461-M522 HydrophobicContact CB-CE 3.81Å; R461-M522 HydrophobicContact CG-CE 3.58Å
462	K	98.6	Very high	98.5	Very high	119 Å²	119	53.6 Å²	53.6	52%	0.517	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-50.7	175.5	-176.5	-173.6	65.9	166.3	0	109.5	D459 W460 Y464 K465	D459-K462 WeakPolarHBondContact O-CA 3.43Å; D459-K462 WeakPolarHBondContact O-CB 3.13Å; D459-K462 PolarHBondContact O-N 3.31Å; W460-K462 VanDerWaalsContact C-N 3.32Å; W460-K462 PolarHBondContact O-N 2.67Å; K462-Y464 PolarHBondContact O-N 3.05Å; K462-K465 PolarHBondContact O-N 3.4Å
463	Y	98.8	Very high	98.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-43.1	179.9	-54.5	-46.7	0	0	0	112.2	P448 W449 Y450 L451 D459 W460 K465 V466 R505	P448-Y463 VanDerWaalsContact O-CD1 3.25Å; P448-Y463 WeakPolarHBondContact O-CD1 3.47Å; P448-Y463 WeakPolarHBondContact O-CE1 3.49Å; W449-Y463 AromaticContact CD1-CD1 3.93Å; W449-Y463 PolarHBondContact NE1-O 3.29Å; W449-Y463 VanDerWaalsContact NE1-O 3.11Å; Y450-Y463 PolarHBondContact O-OH 3.43Å; L451-Y463 HydrophobicContact CD2-CD1 4.48Å; L451-Y463 HydrophobicContact CD2-CD2 3.65Å; L451-Y463 HydrophobicContact CD2-CE1 4.13Å; L451-Y463 HydrophobicContact CD2-CE2 3.3Å; L451-Y463 HydrophobicContact CD2-CG 4.27Å; D459-Y463 HydrophobicContact CB-CE2 4.13Å; D459-Y463 WeakPolarHBondContact O-CD2 3.06Å; D459-Y463 PolarHBondContact O-N 3.43Å; W460-Y463 PolarHBondContact O-N 3.26Å; Y463-K465 VanDerWaalsContact C-N 3.32Å; Y463-K465 PolarHBondContact O-N 3.21Å; Y463-V466 PolarHBondContact O-N 2.72Å; Y463-R505 HydrophobicContact CD2-CB 4.35Å; Y463-R505 HydrophobicContact CE2-CB 4.28Å; Y463-R505 PolarHBondContact OH-NH1 2.64Å
464	Y	98.8	Very high	98.5	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-34.5	178.9	-168.9	-103.3	0	0	0	113.6	W57 W460 K462 V466 A508 E511 R512 V519 M522 A525	W57-Y464 HydrophobicContact CH2-CD2 4.09Å; W57-Y464 AromaticContact CH2-CE2 3.73Å; W57-Y464 HydrophobicContact CH2-CE2 3.73Å; W57-Y464 HydrophobicContact CZ2-CD2 4.47Å; W57-Y464 HydrophobicContact CZ2-CE2 4.28Å; W460-Y464 HydrophobicContact CZ3-CG 4.31Å; W460-Y464 WeakPolarHBondContact O-CB 3.32Å; W460-Y464 PolarHBondContact O-N 3.34Å; K462-Y464 PolarHBondContact O-N 3.05Å; Y464-V466 VanDerWaalsContact C-N 3.28Å; Y464-V466 PolarHBondContact O-N 2.96Å; Y464-A508 HydrophobicContact CD2-CB 4.38Å; Y464-E511 HydrophobicContact CE2-CB 4.05Å; Y464-E511 HydrophobicContact CE2-CG 3.8Å; Y464-E511 WeakPolarHBondContact CE2-OE1 3.5Å; Y464-E511 VanDerWaalsContact CZ-OE1 3.31Å; Y464-E511 PolarHBondContact OH-OE1 3.09Å; Y464-R512 PolarHBondContact O-NE 2.85Å; Y464-R512 VanDerWaalsContact O-NE 3.12Å; Y464-R512 PolarHBondContact O-NH2 2.83Å; Y464-V519 PolarHBondContact OH-O 3.22Å; Y464-M522 HydrophobicContact CD1-CE 4.26Å; Y464-M522 HydrophobicContact CD1-SD 3.83Å; Y464-M522 HydrophobicContact CE1-SD 4.29Å; Y464-A525 HydrophobicContact CD1-CB 4.42Å; Y464-A525 HydrophobicContact CE1-CB 3.74Å; Y464-A525 HydrophobicContact CE2-CB 4.25Å
465	K	98.7	Very high	98.5	Very high	118 Å²	118	55.4 Å²	55.4	51%	0.513	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	0.7	-178.7	-76	177.8	-177.5	-178.5	0	113.9	R461 K462 Y463 E467 R520 M522	R461-K465 WeakPolarHBondContact O-CB 3.37Å; R461-K465 WeakPolarHBondContact O-CG 3.48Å; R461-K465 PolarHBondContact O-N 3.21Å; R461-K465 VanDerWaalsContact O-N 3.13Å; K462-K465 PolarHBondContact O-N 3.4Å; Y463-K465 VanDerWaalsContact C-N 3.32Å; Y463-K465 PolarHBondContact O-N 3.21Å; K465-E467 PolarHBondContact O-N 3.23Å; K465-R520 VanDerWaalsContact C-NH2 3.25Å; K465-R520 PolarHBondContact O-NH2 2.73Å; K465-M522 HydrophobicContact CD-SD 4.36Å; K465-M522 VanDerWaalsContact CE-SD 3.52Å; K465-M522 HydrophobicContact CG-SD 3.93Å
466	V	98.8	Very high	98.5	Very high	12 Å²	12	60 Å²	60	7%	0.073	31%	0.31	C	S	.	.			trans	-67.1	132.5	169	177.8	0	0	0	0	108.7	L445 P448 W449 Y463 Y464 P468 R512	L445-V466 HydrophobicContact CD2-CG1 4.45Å; P448-V466 HydrophobicContact CB-CG2 3.68Å; P448-V466 HydrophobicContact CG-CB 4.46Å; P448-V466 HydrophobicContact CG-CG1 3.83Å; P448-V466 HydrophobicContact CG-CG2 3.83Å; W449-V466 HydrophobicContact CH2-CG1 4.29Å; W449-V466 HydrophobicContact CZ2-CB 3.82Å; W449-V466 HydrophobicContact CZ2-CG1 3.61Å; W449-V466 HydrophobicContact CZ2-CG2 4.48Å; Y463-V466 PolarHBondContact O-N 2.72Å; Y464-V466 VanDerWaalsContact C-N 3.28Å; Y464-V466 PolarHBondContact O-N 2.96Å; V466-P468 HydrophobicContact CG1-CG 4.34Å; V466-R512 WeakPolarHBondContact O-CD 3.33Å; V466-R512 WeakPolarHBondContact O-CG 3.33Å; V466-R512 PolarHBondContact O-NE 3.27Å
467	E	98.7	Very high	98.5	Very high	13 Å²	13	51.8 Å²	51.8	6%	0.061	28%	0.28	C	S	.	.			trans	-113.5	103.5	166.1	169.7	44.8	-135.7	0	0	108.5	R199 K465 L469 D470 K517	R199-E467 IonicContact CZ-OE1 2.67Å; R199-E467 IonicContact CZ-OE2 3.27Å; R199-E467 IonicContact NH1-OE1 3.87Å; R199-E467 IonicContact NH1-OE2 3.62Å; R199-E467 PolarHBondContact NH1-OE2 3.21Å; R199-E467 IonicContact NH2-OE1 3.7Å; R199-E467 PolarHBondContact NH2-OE1 3Å; R199-E467 IonicContact NH2-OE2 2.83Å; R199-E467 PolarHBondContact NH2-OE2 3.47Å; K465-E467 PolarHBondContact O-N 3.23Å; E467-L469 PolarHBondContact O-N 3.37Å; E467-L469 VanDerWaalsContact O-N 3.16Å; E467-L469 WeakPolarHBondContact OE1-CB 3.41Å; E467-L469 PolarHBondContact OE1-N 3.22Å; E467-L469 VanDerWaalsContact OE1-N 3.1Å; E467-D470 HydrophobicContact CB-CB 4.4Å; E467-D470 WeakPolarHBondContact CB-OD2 3.29Å; E467-D470 HydrophobicContact CG-CB 4.08Å; E467-D470 VanDerWaalsContact CG-OD1 3.29Å; E467-D470 WeakPolarHBondContact CG-OD1 3.43Å; E467-D470 VanDerWaalsContact CG-OD2 3.24Å; E467-D470 WeakPolarHBondContact CG-OD2 3.5Å; E467-D470 PolarHBondContact O-N 3.14Å; E467-D470 VanDerWaalsContact O-N 3.17Å; E467-K517 IonicContact OE1-NZ 2.94Å
468	P	98.5	Very high	98.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.013	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.8	-166.1	-22.1	33.3	0	0	0	114.8	F200 L445 W449 V466 F471 F481 R512	F200-P468 HydrophobicContact CE2-CG 4.4Å; L445-P468 HydrophobicContact CD2-CB 4.18Å; W449-P468 HydrophobicContact CH2-CB 4.4Å; W449-P468 HydrophobicContact CH2-CG 3.63Å; W449-P468 HydrophobicContact CZ2-CG 4.08Å; V466-P468 HydrophobicContact CG1-CG 4.34Å; P468-F471 WeakPolarHBondContact O-CD1 3.47Å; P468-F481 HydrophobicContact CB-CE1 3.73Å; P468-F481 HydrophobicContact CB-CE2 3.77Å; P468-F481 HydrophobicContact CB-CZ 3.23Å; P468-F481 HydrophobicContact CG-CZ 4.21Å; P468-R512 HydrophobicContact CG-CG 4.22Å
469	L	98.7	Very high	98.6	Very high	33 Å²	33	57.3 Å²	57.3	17%	0.173	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	6.9	179.6	-56.8	-176.7	0	0	0	113.4	F200 E467 F471 K478 F481	F200-L469 HydrophobicContact CE1-CD1 4.19Å; F200-L469 HydrophobicContact CE1-CD2 4.09Å; F200-L469 HydrophobicContact CE1-CG 4.27Å; F200-L469 HydrophobicContact CZ-CD1 4.01Å; F200-L469 HydrophobicContact CZ-CD2 4.09Å; F200-L469 HydrophobicContact CZ-CG 3.88Å; E467-L469 PolarHBondContact O-N 3.37Å; E467-L469 VanDerWaalsContact O-N 3.16Å; E467-L469 WeakPolarHBondContact OE1-CB 3.41Å; E467-L469 PolarHBondContact OE1-N 3.22Å; E467-L469 VanDerWaalsContact OE1-N 3.1Å; L469-F471 HydrophobicContact CD2-CE1 4.02Å; L469-F471 PolarHBondContact O-N 3Å; L469-K478 HydrophobicContact CB-CD 4.44Å; L469-K478 PolarHBondContact O-NZ 3.36Å; L469-F481 HydrophobicContact CD2-CB 3.7Å; L469-F481 HydrophobicContact CD2-CD1 3.74Å; L469-F481 HydrophobicContact CD2-CD2 4.3Å; L469-F481 HydrophobicContact CD2-CE1 4.49Å; L469-F481 HydrophobicContact CD2-CG 3.64Å
470	D	98.4	Very high	98.6	Very high	97 Å²	97	58.6 Å²	58.6	52%	0.519	30%	0.299	S	S	.	.			trans	-82.2	57	175	-73.1	-5.6	0	0	0	111.1	E467 K517	E467-D470 HydrophobicContact CB-CB 4.4Å; E467-D470 WeakPolarHBondContact CB-OD2 3.29Å; E467-D470 HydrophobicContact CG-CB 4.08Å; E467-D470 VanDerWaalsContact CG-OD1 3.29Å; E467-D470 WeakPolarHBondContact CG-OD1 3.43Å; E467-D470 VanDerWaalsContact CG-OD2 3.24Å; E467-D470 WeakPolarHBondContact CG-OD2 3.5Å; E467-D470 PolarHBondContact O-N 3.14Å; E467-D470 VanDerWaalsContact O-N 3.17Å; D470-K517 IonicContact OD1-NZ 3.85Å; D470-K517 PolarHBondContact OD1-NZ 2.94Å
471	F	98.6	Very high	98.6	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.057	30%	0.299	C	S	.	.	S	Bend	trans	-127.1	164.4	169.3	67	-90.3	0	0	0	111.5	P430 L433 T437 P468 L469 G473 K478 F481	P430-F471 HydrophobicContact CB-CB 3.98Å; P430-F471 WeakPolarHBondContact O-CB 3.46Å; L433-F471 HydrophobicContact CB-CB 4.25Å; L433-F471 HydrophobicContact CB-CD1 3.98Å; L433-F471 HydrophobicContact CB-CD2 4.07Å; L433-F471 HydrophobicContact CB-CE1 4.31Å; L433-F471 HydrophobicContact CB-CE2 4.4Å; L433-F471 HydrophobicContact CB-CG 3.85Å; L433-F471 HydrophobicContact CD1-CD1 3.76Å; L433-F471 HydrophobicContact CD1-CE1 4.25Å; L433-F471 HydrophobicContact CD1-CG 4.29Å; T437-F471 HydrophobicContact CG2-CE2 4.35Å; T437-F471 HydrophobicContact CG2-CZ 4.31Å; P468-F471 WeakPolarHBondContact O-CD1 3.47Å; L469-F471 HydrophobicContact CD2-CE1 4.02Å; L469-F471 PolarHBondContact O-N 3Å; F471-G473 PolarHBondContact O-N 2.88Å; F471-K478 HydrophobicContact CE2-CG 4.29Å; F471-K478 HydrophobicContact CZ-CG 3.95Å; F471-K478 WeakPolarHBondContact O-CE 3.5Å; F471-K478 PolarHBondContact O-NZ 2.89Å; F471-F481 HydrophobicContact CE1-CD2 4.31Å
472	G	98.5	Very high	98.6	Very high	53 Å²	53	57.9 Å²	57.9	55%	0.546	30%	0.298	S	S	.	.	S	Bend	trans	-75.5	114.5	179.9	0	0	0	0	0	112.1	S434	S434-G472 VanDerWaalsContact CB-O 3.3Å; S434-G472 WeakPolarHBondContact CB-O 3.4Å; S434-G472 PolarHBondContact OG-N 3.43Å; S434-G472 PolarHBondContact OG-O 3.36Å
473	G	98.1	Very high	98.6	Very high	32 Å²	32	52.2 Å²	52.2	33%	0.33	27%	0.274	S	S	.	.			trans	179.4	156.9	177.5	0	0	0	0	0	113.5	F471	F471-G473 PolarHBondContact O-N 2.88Å
474	T	98.6	Very high	98.6	Very high	81 Å²	81	52.2 Å²	52.2	50%	0.497	27%	0.274	S	S	.	.			trans	-64.9	165	172.2	63.8	0	0	0	0	111.4	K476 Q477 K478	T474-K476 PolarHBondContact O-N 2.9Å; T474-Q477 WeakPolarHBondContact O-CB 3.46Å; T474-Q477 PolarHBondContact O-N 3.29Å; T474-Q477 VanDerWaalsContact O-N 3.09Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.4Å; T474-Q477 PolarHBondContact OG1-N 3.35Å; T474-Q477 PolarHBondContact OG1-OE1 3.24Å; T474-Q477 VanDerWaalsContact OG1-OE1 3.12Å; T474-K478 WeakPolarHBondContact O-CG 3.49Å; T474-K478 PolarHBondContact O-N 3.23Å
475	Q	98.3	Very high	98.6	Very high	158 Å²	158	52.2 Å²	52.2	74%	0.738	27%	0.273	S	S	*	.	H	α-helix	trans	-57	-38.4	175	-171.5	177.4	9.6	0	0	112.3	K478 Q479	Q475-K478 PolarHBondContact O-N 3.49Å; Q475-Q479 WeakPolarHBondContact O-CG 3.48Å; Q475-Q479 PolarHBondContact O-N 3.43Å
476	K	98.3	Very high	98.6	Very high	169 Å²	169	46.6 Å²	46.6	74%	0.735	25%	0.249	S	C	*	.	H	α-helix	trans	-65.6	-38.4	176.7	-171.8	177.6	178.9	-177.6	0	112.2	T474 Q479	T474-K476 PolarHBondContact O-N 2.9Å; K476-Q479 PolarHBondContact O-N 3.3Å
477	Q	98.5	Very high	98.6	Very high	35 Å²	35	46 Å²	46	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-43.3	172.6	-75.4	171.8	-78.6	0	0	111.3	T437 T474 Q479 L480	T437-Q477 WeakPolarHBondContact CG2-O 3.2Å; T474-Q477 WeakPolarHBondContact O-CB 3.46Å; T474-Q477 PolarHBondContact O-N 3.29Å; T474-Q477 VanDerWaalsContact O-N 3.09Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.4Å; T474-Q477 PolarHBondContact OG1-N 3.35Å; T474-Q477 PolarHBondContact OG1-OE1 3.24Å; T474-Q477 VanDerWaalsContact OG1-OE1 3.12Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q477-L480 WeakPolarHBondContact O-CB 3.45Å; Q477-L480 PolarHBondContact O-N 3.37Å
478	K	98.6	Very high	98.6	Very high	64 Å²	64	45.5 Å²	45.5	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-64.8	-25.8	178.3	-64.7	-167	-179.7	-157.8	0	113.4	L469 F471 T474 Q475 L480 F481	L469-K478 HydrophobicContact CB-CD 4.44Å; L469-K478 PolarHBondContact O-NZ 3.36Å; F471-K478 HydrophobicContact CE2-CG 4.29Å; F471-K478 HydrophobicContact CZ-CG 3.95Å; F471-K478 WeakPolarHBondContact O-CE 3.5Å; F471-K478 PolarHBondContact O-NZ 2.89Å; T474-K478 WeakPolarHBondContact O-CG 3.49Å; T474-K478 PolarHBondContact O-N 3.23Å; Q475-K478 PolarHBondContact O-N 3.49Å; K478-L480 VanDerWaalsContact C-N 3.27Å; K478-L480 PolarHBondContact O-N 3.16Å; K478-F481 WeakPolarHBondContact O-CB 3.47Å; K478-F481 PolarHBondContact O-N 3.24Å
479	Q	98.6	Very high	98.7	Very high	137 Å²	137	46.2 Å²	46.2	64%	0.64	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.3	172.8	-73.1	169.6	-14.4	0	0	113.7	Q475 K476 Q477 F481	Q475-Q479 WeakPolarHBondContact O-CG 3.48Å; Q475-Q479 PolarHBondContact O-N 3.43Å; K476-Q479 PolarHBondContact O-N 3.3Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q479-F481 VanDerWaalsContact C-N 3.28Å
480	L	98.8	Very high	98.7	Very high	42 Å²	42	44.7 Å²	44.7	22%	0.22	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.2	173	-67.6	169.1	0	0	0	112.3	T437 P442 V443 Q477 K478 I482	T437-L480 HydrophobicContact CG2-CB 3.97Å; T437-L480 WeakPolarHBondContact O-CD1 3.48Å; P442-L480 CarbonylContact C-O 3.56Å; P442-L480 VanDerWaalsContact CA-O 3.25Å; P442-L480 WeakPolarHBondContact CA-O 3.4Å; V443-L480 PolarHBondContact N-O 3.39Å; Q477-L480 WeakPolarHBondContact O-CB 3.45Å; Q477-L480 PolarHBondContact O-N 3.37Å; K478-L480 VanDerWaalsContact C-N 3.27Å; K478-L480 PolarHBondContact O-N 3.16Å; L480-I482 PolarHBondContact O-N 3.08Å
481	F	98.9	Very high	98.7	Very high	7 Å²	7	44 Å²	44	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	109.9	169.1	-174.3	-78.7	0	0	0	109	F200 L433 V443 L445 P468 L469 F471 K478 Q479 G483	F200-F481 AromaticContact CD1-CD1 3.72Å; F200-F481 HydrophobicContact CD1-CD1 3.72Å; F200-F481 AromaticContact CD1-CE1 3.9Å; F200-F481 HydrophobicContact CD1-CE1 3.9Å; F200-F481 HydrophobicContact CD2-CE1 4.27Å; F200-F481 AromaticContact CE1-CD1 3.38Å; F200-F481 HydrophobicContact CE1-CD1 3.38Å; F200-F481 AromaticContact CE1-CE1 3.68Å; F200-F481 HydrophobicContact CE1-CE1 3.68Å; F200-F481 HydrophobicContact CE2-CE1 4.04Å; F200-F481 HydrophobicContact CG-CD1 4.45Å; F200-F481 HydrophobicContact CG-CE1 4.19Å; F200-F481 AromaticContact CZ-CD1 3.83Å; F200-F481 HydrophobicContact CZ-CD1 3.83Å; F200-F481 AromaticContact CZ-CE1 3.73Å; F200-F481 HydrophobicContact CZ-CE1 3.73Å; L433-F481 HydrophobicContact CD1-CE2 4.37Å; L433-F481 HydrophobicContact CD2-CD2 4.28Å; L433-F481 HydrophobicContact CD2-CE2 4.3Å; V443-F481 HydrophobicContact CG1-CB 4.07Å; V443-F481 HydrophobicContact CG1-CD2 3.91Å; V443-F481 HydrophobicContact CG1-CG 4.37Å; L445-F481 HydrophobicContact CB-CE2 3.7Å; L445-F481 HydrophobicContact CB-CZ 3.96Å; L445-F481 HydrophobicContact CD2-CE2 4.35Å; P468-F481 HydrophobicContact CB-CE1 3.73Å; P468-F481 HydrophobicContact CB-CE2 3.77Å; P468-F481 HydrophobicContact CB-CZ 3.23Å; P468-F481 HydrophobicContact CG-CZ 4.21Å; L469-F481 HydrophobicContact CD2-CB 3.7Å; L469-F481 HydrophobicContact CD2-CD1 3.74Å; L469-F481 HydrophobicContact CD2-CD2 4.3Å; L469-F481 HydrophobicContact CD2-CE1 4.49Å; L469-F481 HydrophobicContact CD2-CG 3.64Å; F471-F481 HydrophobicContact CE1-CD2 4.31Å; K478-F481 WeakPolarHBondContact O-CB 3.47Å; K478-F481 PolarHBondContact O-N 3.24Å; Q479-F481 VanDerWaalsContact C-N 3.28Å; F481-G483 VanDerWaalsContact CE1-O 3.3Å; F481-G483 WeakPolarHBondContact CE1-O 3.26Å; F481-G483 WeakPolarHBondContact CZ-O 3.31Å
482	I	98.9	Very high	98.7	Very high	30 Å²	30	51.8 Å²	51.8	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-11.1	-174.1	59.1	169.1	0	0	0	113.4	I143 S201 H202 I420 P442 V443 I444 L480	I143-I482 HydrophobicContact CD1-CD1 4.23Å; S201-I482 PolarHBondContact N-O 3.44Å; H202-I482 HydrophobicContact CB-CD1 4.34Å; H202-I482 HydrophobicContact CB-CG1 4.26Å; H202-I482 PolarHBondContact N-O 2.99Å; I420-I482 HydrophobicContact CD1-CD1 3.76Å; I420-I482 HydrophobicContact CG1-CD1 4.32Å; I420-I482 HydrophobicContact CG2-CD1 4Å; P442-I482 HydrophobicContact CB-CD1 4.4Å; P442-I482 HydrophobicContact CB-CG2 4.35Å; V443-I482 WeakPolarHBondContact O-CG1 3.32Å; V443-I482 PolarHBondContact O-N 3.12Å; V443-I482 VanDerWaalsContact O-N 3.07Å; I444-I482 HydrophobicContact CD1-CD1 4.18Å; I444-I482 HydrophobicContact CG1-CD1 3.89Å; I444-I482 HydrophobicContact CG1-CG1 3.8Å; L480-I482 PolarHBondContact O-N 3.08Å
483	G	98.9	Very high	98.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.4	-146.8	176.4	0	0	0	0	0	113.9	H202 L445 F481	H202-G483 CarbonylContact O-C 3.27Å; H202-G483 VanDerWaalsContact O-CA 3.26Å; H202-G483 WeakPolarHBondContact O-CA 3.32Å; L445-G483 PolarHBondContact N-O 3Å; L445-G483 VanDerWaalsContact N-O 3.12Å; F481-G483 VanDerWaalsContact CE1-O 3.3Å; F481-G483 WeakPolarHBondContact CE1-O 3.26Å; F481-G483 WeakPolarHBondContact CZ-O 3.31Å
484	G	98.9	Very high	98.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	174.2	-172.6	0	0	0	0	0	113.9	H202 G204 L445 L513	H202-G484 PolarHBondContact O-N 3.16Å; G204-G484 PolarHBondContact N-O 3.4Å; L445-G484 CarbonylContact O-C 3.53Å; L445-G484 WeakPolarHBondContact O-CA 3.34Å; G484-L513 VanDerWaalsContact O-CD1 3.28Å; G484-L513 WeakPolarHBondContact O-CD1 3.35Å
485	E	99	Very high	98.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.9	-179	-46.7	-156.5	148.7	0	0	111.6	H202 G204 H235 I444 L445 W449	H202-E485 IonicContact CD2-OE1 2.76Å; H202-E485 IonicContact CE1-OE1 2.73Å; H202-E485 IonicContact NE2-OE1 2.92Å; H202-E485 PolarHBondContact NE2-OE1 3.26Å; G204-E485 VanDerWaalsContact O-CA 3.28Å; G204-E485 WeakPolarHBondContact O-CA 3.41Å; H235-E485 WeakPolarHBondContact CB-OE2 3.5Å; H235-E485 IonicContact CE1-OE2 3.01Å; H235-E485 IonicContact CG-OE2 2.79Å; H235-E485 VanDerWaalsContact CG-OE2 3.3Å; H235-E485 IonicContact ND1-OE1 3.07Å; H235-E485 IonicContact ND1-OE2 2.91Å; H235-E485 PolarHBondContact ND1-OE2 3Å; I444-E485 HydrophobicContact CG2-CG 3.79Å; L445-E485 PolarHBondContact O-N 3.07Å; W449-E485 WeakPolarHBondContact CB-O 3.46Å
486	A	98.9	Very high	98.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.1	165.1	0	0	0	0	0	108.7	G204 I205 L206 W449 L451 A506 V509	G204-A486 PolarHBondContact O-N 3.11Å; I205-A486 WeakPolarHBondContact CA-O 3.17Å; I205-A486 HydrophobicContact CD1-CB 3.88Å; L206-A486 PolarHBondContact N-O 3.37Å; W449-A486 HydrophobicContact CB-CB 4.47Å; L451-A486 HydrophobicContact CD1-CB 3.65Å; L451-A486 HydrophobicContact CG-CB 4.2Å; A486-A506 HydrophobicContact CB-CB 4.41Å; A486-V509 HydrophobicContact CB-CB 4.06Å; A486-V509 HydrophobicContact CB-CG1 4.11Å; A486-V509 HydrophobicContact CB-CG2 3.9Å
487	C	98.9	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.6	-172	-59.4	0	0	0	0	111.5	L206 S446 W449 Y450 L451	L206-C487 HydrophobicContact CB-CB 4.12Å; S446-C487 VanDerWaalsContact CB-SG 3.53Å; W449-C487 PolarHBondContact O-N 3.43Å; Y450-C487 HydrophobicContact CD1-CB 4.08Å; Y450-C487 HydrophobicContact CE1-CB 4.16Å; L451-C487 WeakPolarHBondContact CA-O 3.39Å; L451-C487 VanDerWaalsContact CB-O 3.27Å; L451-C487 WeakPolarHBondContact CB-O 3.38Å; L451-C487 PolarHBondContact N-O 2.83Å
488	L	98.8	Very high	98.8	Very high	3 Å²	3	39 Å²	39	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	82.5	171.6	-171.2	67.3	0	0	0	109.4	L206 L451 D452 V493 L498 R501 L502	L206-L488 PolarHBondContact O-N 2.97Å; L451-L488 HydrophobicContact CB-CD1 4.16Å; D452-L488 HydrophobicContact CB-CD1 4.25Å; L488-V493 HydrophobicContact CD1-CG2 3.94Å; L488-V493 HydrophobicContact CD2-CG1 3.95Å; L488-V493 HydrophobicContact CD2-CG2 4.44Å; L488-V493 HydrophobicContact CG-CG1 4.21Å; L488-V493 HydrophobicContact CG-CG2 4.03Å; L488-L498 HydrophobicContact CD2-CG 4.07Å; L488-R501 HydrophobicContact CD1-CG 3.88Å; L488-L502 HydrophobicContact CB-CD1 4.22Å; L488-L502 HydrophobicContact CD2-CB 3.92Å; L488-L502 HydrophobicContact CD2-CD1 4.08Å; L488-L502 HydrophobicContact CD2-CG 4.43Å
489	W	98.8	Very high	98.8	Very high	17 Å²	17	36.7 Å²	36.7	6%	0.064	19%	0.187	C	C	.	.			trans	-60.6	152.5	173.6	-62.2	111.8	0	0	0	112.4	L206 D208 H237 W405 Y450 D452 E491 V493	L206-W489 HydrophobicContact CD1-CH2 3.82Å; L206-W489 HydrophobicContact CD1-CZ2 3.88Å; L206-W489 HydrophobicContact CD1-CZ3 4.27Å; L206-W489 HydrophobicContact CD2-CD2 4.05Å; L206-W489 HydrophobicContact CD2-CE3 3.91Å; L206-W489 HydrophobicContact CD2-CH2 4.4Å; L206-W489 HydrophobicContact CD2-CZ3 4.1Å; D208-W489 HydrophobicContact CB-CE3 4.36Å; H237-W489 HydrophobicContact CB-CZ3 4.38Å; H237-W489 AromaticContact CE1-CZ3 3.75Å; H237-W489 AromaticContact CG-CZ3 3.74Å; H237-W489 AromaticContact ND1-CH2 3.9Å; H237-W489 AromaticContact ND1-CZ3 3.53Å; W405-W489 HydrophobicContact CH2-CZ2 4.31Å; W405-W489 AromaticContact CZ2-CH2 3.95Å; W405-W489 HydrophobicContact CZ2-CH2 3.95Å; W405-W489 AromaticContact CZ2-CZ2 3.93Å; W405-W489 HydrophobicContact CZ2-CZ2 3.93Å; Y450-W489 AromaticContact CD2-CD1 3.9Å; Y450-W489 AromaticContact CD2-NE1 3.79Å; Y450-W489 AromaticContact CE2-CD1 3.75Å; Y450-W489 AromaticContact CE2-NE1 3.2Å; Y450-W489 AromaticContact CZ-NE1 3.36Å; Y450-W489 PolarHBondContact OH-NE1 3.2Å; D452-W489 HydrophobicContact CB-CB 4.1Å; W489-E491 WeakPolarHBondContact CB-OE2 3.33Å; W489-V493 WeakPolarHBondContact O-CG2 3.47Å
490	G	98.7	Very high	98.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	17%	0.169	C	C	.	.	S	Bend	trans	-96.9	-4.6	-159.2	0	0	0	0	0	115.4	D208 H212 Y492 V493	D208-G490 VanDerWaalsContact OD2-CA 3.31Å; D208-G490 WeakPolarHBondContact OD2-CA 3.36Å; D208-G490 PolarHBondContact OD2-N 3.3Å; H212-G490 PolarHBondContact CE1-O 2.96Å; H212-G490 PolarHBondContact ND1-O 2.98Å; G490-Y492 PolarHBondContact O-N 2.65Å; G490-V493 PolarHBondContact O-N 3.06Å; G490-V493 VanDerWaalsContact O-N 3.14Å
491	E	98.6	Very high	98.8	Very high	81 Å²	81	32.3 Å²	32.3	38%	0.379	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32	-174.2	-68.8	83.3	171.4	0	0	112.6	R211 H212 W489	R211-E491 HydrophobicContact CG-CG 4.03Å; R211-E491 IonicContact CZ-OE1 3.79Å; R211-E491 IonicContact NH1-OE1 2.59Å; R211-E491 PolarHBondContact NH1-OE1 2.93Å; R211-E491 IonicContact NH1-OE2 3Å; R211-E491 IonicContact NH2-OE1 3.54Å; H212-E491 PolarHBondContact CE1-O 2.92Å; W489-E491 WeakPolarHBondContact CB-OE2 3.33Å
492	Y	98.7	Very high	98.8	Very high	177 Å²	177	32 Å²	32	69%	0.694	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.3	18.5	-179.9	-52.9	-74.6	0	0	0	112.7	G490 N497 R501	G490-Y492 PolarHBondContact O-N 2.65Å; Y492-N497 PolarHBondContact O-ND2 3.07Å; Y492-R501 PolarHBondContact O-NH1 3.39Å
493	V	98.8	Very high	98.8	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.03	16%	0.158	C	C	.	.			trans	-129.2	127.4	-173.6	178.9	0	0	0	0	110.8	H212 L488 W489 G490 N497 L498	H212-V493 WeakPolarHBondContact CB-O 3.47Å; H212-V493 PolarHBondContact ND1-O 3.3Å; L488-V493 HydrophobicContact CD1-CG2 3.94Å; L488-V493 HydrophobicContact CD2-CG1 3.95Å; L488-V493 HydrophobicContact CD2-CG2 4.44Å; L488-V493 HydrophobicContact CG-CG1 4.21Å; L488-V493 HydrophobicContact CG-CG2 4.03Å; W489-V493 WeakPolarHBondContact O-CG2 3.47Å; G490-V493 PolarHBondContact O-N 3.06Å; G490-V493 VanDerWaalsContact O-N 3.14Å; V493-N497 VanDerWaalsContact CA-OD1 3.3Å; V493-N497 WeakPolarHBondContact CA-OD1 3.4Å; V493-L498 HydrophobicContact CG1-CB 3.69Å; V493-L498 HydrophobicContact CG1-CD1 4.31Å; V493-L498 HydrophobicContact CG1-CG 4.03Å
494	D	98.7	Very high	98.8	Very high	50 Å²	50	30.6 Å²	30.6	27%	0.267	16%	0.159	S	C	.	.	S	Bend	trans	-142.4	-166.8	170.5	77.7	-4.6	0	0	0	110.3	H212 T496 N497 L498	H212-D494 HydrophobicContact CB-CB 3.82Å; D494-T496 PolarHBondContact O-N 3.05Å; D494-T496 VanDerWaalsContact O-N 3.07Å; D494-T496 VanDerWaalsContact OD1-CB 3.28Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.46Å; D494-T496 PolarHBondContact OD1-N 3.14Å; D494-T496 PolarHBondContact OD1-OG1 2.97Å; D494-N497 PolarHBondContact N-OD1 2.59Å; D494-N497 PolarHBondContact O-N 3.14Å; D494-N497 PolarHBondContact O-OD1 3.06Å; D494-L498 WeakPolarHBondContact O-CB 3.47Å; D494-L498 PolarHBondContact O-N 2.87Å
495	A	98.4	Very high	98.8	Very high	47 Å²	47	30.8 Å²	30.8	39%	0.388	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.2	-179.1	0	0	0	0	0	115	I218	I218-A495 HydrophobicContact CD1-CB 3.99Å
496	T	98.6	Very high	98.8	Very high	117 Å²	117	30.8 Å²	30.8	72%	0.718	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-26.8	-176	69.5	0	0	0	0	113	D494	D494-T496 PolarHBondContact O-N 3.05Å; D494-T496 VanDerWaalsContact O-N 3.07Å; D494-T496 VanDerWaalsContact OD1-CB 3.28Å; D494-T496 WeakPolarHBondContact OD1-CB 3.44Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.46Å; D494-T496 PolarHBondContact OD1-N 3.14Å; D494-T496 PolarHBondContact OD1-OG1 2.97Å
497	N	98.8	Very high	98.8	Very high	38 Å²	38	30.8 Å²	30.8	20%	0.203	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-7.5	-171.3	70.7	-2	0	0	0	114.8	Y492 V493 D494 T499 P500 R501	Y492-N497 PolarHBondContact O-ND2 3.07Å; V493-N497 VanDerWaalsContact CA-OD1 3.3Å; V493-N497 WeakPolarHBondContact CA-OD1 3.4Å; D494-N497 PolarHBondContact N-OD1 2.59Å; D494-N497 PolarHBondContact O-N 3.14Å; D494-N497 PolarHBondContact O-OD1 3.06Å; N497-T499 PolarHBondContact O-N 2.87Å; N497-P500 WeakPolarHBondContact O-CD 3.23Å; N497-P500 WeakPolarHBondContact O-CG 3.39Å; N497-R501 WeakPolarHBondContact O-CB 3.33Å; N497-R501 PolarHBondContact O-N 2.98Å; N497-R501 VanDerWaalsContact O-N 3.08Å
498	L	98.8	Very high	98.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-55.7	-178.4	-178.1	158.8	0	0	0	112.6	L214 I218 T222 L488 V493 D494 R501 L502	L214-L498 HydrophobicContact CD1-CD1 3.31Å; L214-L498 HydrophobicContact CD2-CD1 3.76Å; L214-L498 HydrophobicContact CG-CD1 4.19Å; I218-L498 HydrophobicContact CD1-CB 4.02Å; I218-L498 HydrophobicContact CD1-CD1 4.42Å; I218-L498 HydrophobicContact CD1-CD2 4.43Å; T222-L498 WeakPolarHBondContact OG1-CD2 3.28Å; L488-L498 HydrophobicContact CD2-CG 4.07Å; V493-L498 HydrophobicContact CG1-CB 3.69Å; V493-L498 HydrophobicContact CG1-CD1 4.31Å; V493-L498 HydrophobicContact CG1-CG 4.03Å; D494-L498 WeakPolarHBondContact O-CB 3.47Å; D494-L498 PolarHBondContact O-N 2.87Å; L498-R501 PolarHBondContact O-N 2.83Å; L498-L502 HydrophobicContact CD2-CD2 4.29Å; L498-L502 VanDerWaalsContact O-CB 3.25Å; L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 PolarHBondContact O-N 2.68Å
499	T	98.8	Very high	98.8	Very high	16 Å²	16	30.7 Å²	30.7	10%	0.098	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-52.8	-173.9	-57	0	0	0	0	113.5	N497 R501 L502 W503 I541 A542	N497-T499 PolarHBondContact O-N 2.87Å; T499-R501 VanDerWaalsContact C-N 3.3Å; T499-R501 PolarHBondContact O-N 3.16Å; T499-L502 PolarHBondContact O-N 3.37Å; T499-W503 PolarHBondContact O-N 3.03Å; T499-I541 HydrophobicContact CG2-CG2 3.6Å; T499-A542 HydrophobicContact CG2-CB 4.29Å
500	P	98.7	Very high	98.8	Very high	42 Å²	42	29.9 Å²	29.9	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-67.5	-31	179.4	24.9	-34.3	0	0	0	112.6	N497 A542 Q544	N497-P500 WeakPolarHBondContact O-CD 3.23Å; N497-P500 WeakPolarHBondContact O-CG 3.39Å; P500-A542 VanDerWaalsContact CA-O 3.23Å; P500-A542 WeakPolarHBondContact CA-O 3.4Å; P500-A542 WeakPolarHBondContact CB-O 3.36Å; P500-Q544 HydrophobicContact CB-CB 4.18Å; P500-Q544 WeakPolarHBondContact O-CB 3.28Å; P500-Q544 WeakPolarHBondContact O-CG 3.42Å; P500-Q544 PolarHBondContact O-OE1 3.08Å; P500-Q544 VanDerWaalsContact O-OE1 3.12Å
501	R	98.8	Very high	98.8	Very high	45 Å²	45	29.9 Å²	29.9	17%	0.17	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-41.4	175.2	-175.6	168.9	-71.2	169.6	2.5	111.3	I454 L488 Y492 N497 L498 T499 R505	I454-R501 HydrophobicContact CG2-CG 4.03Å; L488-R501 HydrophobicContact CD1-CG 3.88Å; Y492-R501 PolarHBondContact O-NH1 3.39Å; N497-R501 WeakPolarHBondContact O-CB 3.33Å; N497-R501 PolarHBondContact O-N 2.98Å; N497-R501 VanDerWaalsContact O-N 3.08Å; L498-R501 PolarHBondContact O-N 2.83Å; T499-R501 VanDerWaalsContact C-N 3.3Å; T499-R501 PolarHBondContact O-N 3.16Å; R501-R505 VanDerWaalsContact O-CZ 3.26Å; R501-R505 PolarHBondContact O-NE 3.38Å; R501-R505 PolarHBondContact O-NH2 2.79Å
502	L	98.8	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-45.9	-177.7	-170.4	57.2	0	0	0	111.8	I205 T222 L451 L488 L498 T499 R505 A506	I205-L502 HydrophobicContact CD1-CD1 4.43Å; I205-L502 HydrophobicContact CG2-CD1 4.3Å; I205-L502 HydrophobicContact CG2-CD2 4.04Å; T222-L502 HydrophobicContact CG2-CD2 3.94Å; L451-L502 HydrophobicContact CD1-CD1 3.65Å; L488-L502 HydrophobicContact CB-CD1 4.22Å; L488-L502 HydrophobicContact CD2-CB 3.92Å; L488-L502 HydrophobicContact CD2-CD1 4.08Å; L488-L502 HydrophobicContact CD2-CG 4.43Å; L498-L502 HydrophobicContact CD2-CD2 4.29Å; L498-L502 VanDerWaalsContact O-CB 3.25Å; L498-L502 WeakPolarHBondContact O-CB 3.29Å; L498-L502 PolarHBondContact O-N 2.68Å; T499-L502 PolarHBondContact O-N 3.37Å; L502-R505 PolarHBondContact O-N 2.87Å; L502-A506 HydrophobicContact CD1-CB 3.75Å; L502-A506 HydrophobicContact CG-CB 4.07Å; L502-A506 WeakPolarHBondContact O-CB 3.39Å; L502-A506 PolarHBondContact O-N 2.72Å
503	W	98.9	Very high	98.8	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	133.3	-170.4	-54.7	107.1	0	0	0	111.7	I205 A225 M226 N229 F231 T499 A506 M536 I541 A543 Q544	I205-W503 HydrophobicContact CD1-CH2 4.31Å; I205-W503 HydrophobicContact CG1-CH2 4.42Å; A225-W503 HydrophobicContact CB-CD2 4.1Å; A225-W503 HydrophobicContact CB-CG 4.43Å; A225-W503 HydrophobicContact CB-CH2 4.5Å; A225-W503 HydrophobicContact CB-CZ2 3.65Å; A225-W503 VanDerWaalsContact CB-NE1 3.32Å; M226-W503 HydrophobicContact CG-CH2 4.3Å; M226-W503 HydrophobicContact CG-CZ2 4.11Å; N229-W503 HydrophobicContact CB-CH2 4.26Å; N229-W503 HydrophobicContact CB-CZ3 3.91Å; N229-W503 WeakPolarHBondContact ND2-CZ3 3.5Å; F231-W503 AromaticContact CD2-CH2 4Å; F231-W503 HydrophobicContact CD2-CH2 4Å; F231-W503 HydrophobicContact CD2-CZ3 4.37Å; F231-W503 HydrophobicContact CE2-CH2 4.04Å; F231-W503 HydrophobicContact CE2-CZ3 4.06Å; T499-W503 PolarHBondContact O-N 3.03Å; W503-A506 HydrophobicContact CD2-CB 4.41Å; W503-A506 HydrophobicContact CE3-CB 3.77Å; W503-A506 HydrophobicContact CH2-CB 3.95Å; W503-A506 HydrophobicContact CZ3-CB 3.51Å; W503-M536 HydrophobicContact CB-CE 3.68Å; W503-M536 HydrophobicContact CD2-CE 3.63Å; W503-M536 HydrophobicContact CE3-CE 3.81Å; W503-M536 HydrophobicContact CG-CE 3.56Å; W503-I541 HydrophobicContact CG-CG2 4.32Å; W503-A543 HydrophobicContact CB-CB 3.69Å; W503-A543 CarbonylContact O-C 3.57Å; W503-A543 VanDerWaalsContact O-CA 3.25Å; W503-A543 WeakPolarHBondContact O-CA 3.22Å; W503-Q544 PolarHBondContact O-N 2.89Å
504	P	98.8	Very high	98.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96	16.1	10.1	38.2	-39.3	0	0	0	114.4	A506 S507 L529 R533 Q544 L546	P504-A506 PolarHBondContact O-N 3.02Å; P504-S507 WeakPolarHBondContact O-CB 3.29Å; P504-S507 PolarHBondContact O-N 3.06Å; P504-S507 PolarHBondContact O-OG 2.92Å; P504-L529 HydrophobicContact CB-CD1 4.09Å; P504-L529 HydrophobicContact CB-CG 4.4Å; P504-R533 HydrophobicContact CB-CB 4.34Å; P504-R533 HydrophobicContact CB-CG 4.48Å; P504-R533 HydrophobicContact CG-CB 4.38Å; P504-R533 HydrophobicContact CG-CG 4.19Å; P504-Q544 WeakPolarHBondContact CD-O 3.39Å; P504-L546 HydrophobicContact CG-CD2 3.5Å; P504-L546 HydrophobicContact CG-CG 4.13Å
505	R	98.9	Very high	98.8	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-41.3	-177.6	-62	-169.8	-59.8	142.7	8.9	112.3	L451 D459 Y463 R501 L502 S507 A508	L451-R505 HydrophobicContact CD2-CB 3.83Å; L451-R505 PolarHBondContact O-NH1 3.23Å; L451-R505 PolarHBondContact O-NH2 3.47Å; D459-R505 VanDerWaalsContact CG-CD 3.45Å; D459-R505 WeakPolarHBondContact OD1-CD 3.44Å; D459-R505 WeakPolarHBondContact OD2-CD 3.45Å; D459-R505 IonicContact OD2-CZ 3.93Å; D459-R505 IonicContact OD2-NE 2.69Å; D459-R505 IonicContact OD2-NH1 3.75Å; D459-R505 PolarHBondContact OD2-NH1 3.01Å; Y463-R505 HydrophobicContact CD2-CB 4.35Å; Y463-R505 HydrophobicContact CE2-CB 4.28Å; Y463-R505 PolarHBondContact OH-NH1 2.64Å; R501-R505 VanDerWaalsContact O-CZ 3.26Å; R501-R505 PolarHBondContact O-NE 3.38Å; R501-R505 PolarHBondContact O-NH2 2.79Å; L502-R505 PolarHBondContact O-N 2.87Å; R505-S507 PolarHBondContact O-N 3.25Å; R505-A508 VanDerWaalsContact O-CB 3.26Å; R505-A508 WeakPolarHBondContact O-CB 3.44Å; R505-A508 PolarHBondContact O-N 3.34Å
506	A	98.9	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-27.6	172.1	0	0	0	0	0	113.1	I205 F231 L451 A486 L502 W503 P504 A508 V509 G510	I205-A506 HydrophobicContact CD1-CB 3.82Å; F231-A506 WeakPolarHBondContact CE2-O 3.5Å; F231-A506 VanDerWaalsContact CZ-O 3.26Å; F231-A506 WeakPolarHBondContact CZ-O 3.31Å; L451-A506 HydrophobicContact CD1-CB 3.72Å; A486-A506 HydrophobicContact CB-CB 4.41Å; L502-A506 HydrophobicContact CD1-CB 3.75Å; L502-A506 HydrophobicContact CG-CB 4.07Å; L502-A506 WeakPolarHBondContact O-CB 3.39Å; L502-A506 PolarHBondContact O-N 2.72Å; W503-A506 HydrophobicContact CD2-CB 4.41Å; W503-A506 HydrophobicContact CE3-CB 3.77Å; W503-A506 HydrophobicContact CH2-CB 3.95Å; W503-A506 HydrophobicContact CZ3-CB 3.51Å; P504-A506 PolarHBondContact O-N 3.02Å; A506-A508 PolarHBondContact O-N 3.27Å; A506-V509 WeakPolarHBondContact O-CB 3.24Å; A506-V509 PolarHBondContact O-N 3.38Å; A506-V509 VanDerWaalsContact O-N 3.1Å; A506-G510 PolarHBondContact O-N 3.29Å
507	S	98.9	Very high	98.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.8	-36.2	175	-55.5	0	0	0	0	111.5	W57 N229 P504 R505 V509 G510 E511	W57-S507 VanDerWaalsContact CE2-O 3.32Å; W57-S507 WeakPolarHBondContact CZ2-O 3.27Å; W57-S507 PolarHBondContact NE1-O 2.97Å; N229-S507 WeakPolarHBondContact OD1-CB 3.42Å; N229-S507 PolarHBondContact OD1-OG 2.83Å; P504-S507 WeakPolarHBondContact O-CB 3.29Å; P504-S507 PolarHBondContact O-N 3.06Å; P504-S507 PolarHBondContact O-OG 2.92Å; R505-S507 PolarHBondContact O-N 3.25Å; S507-V509 VanDerWaalsContact C-N 3.31Å; S507-V509 PolarHBondContact O-N 3.24Å; S507-G510 PolarHBondContact O-N 3.4Å; S507-E511 PolarHBondContact O-N 3.09Å
508	A	98.9	Very high	98.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.1	-43.2	174	0	0	0	0	0	112.6	W460 Y464 R505 A506 R512	W460-A508 HydrophobicContact CB-CB 4.3Å; W460-A508 HydrophobicContact CE3-CB 4.38Å; W460-A508 WeakPolarHBondContact O-CB 3.35Å; Y464-A508 HydrophobicContact CD2-CB 4.38Å; R505-A508 VanDerWaalsContact O-CB 3.26Å; R505-A508 WeakPolarHBondContact O-CB 3.44Å; R505-A508 PolarHBondContact O-N 3.34Å; A506-A508 PolarHBondContact O-N 3.27Å; A508-R512 PolarHBondContact O-N 3.17Å
509	V	98.9	Very high	98.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.8	-43.2	175.9	-173.5	0	0	0	0	110.4	F231 W449 A486 A506 S507 E511 R512 L513	F231-V509 HydrophobicContact CZ-CB 4.29Å; W449-V509 HydrophobicContact CB-CG2 4.13Å; W449-V509 VanDerWaalsContact CD1-CG2 3.42Å; W449-V509 HydrophobicContact CD2-CG1 3.68Å; W449-V509 HydrophobicContact CD2-CG2 4.25Å; W449-V509 HydrophobicContact CE3-CG1 4.01Å; W449-V509 HydrophobicContact CG-CB 4.49Å; W449-V509 HydrophobicContact CG-CG1 3.96Å; W449-V509 HydrophobicContact CG-CG2 3.69Å; W449-V509 HydrophobicContact CZ2-CG1 4.27Å; W449-V509 HydrophobicContact CZ3-CG1 4.45Å; A486-V509 HydrophobicContact CB-CB 4.06Å; A486-V509 HydrophobicContact CB-CG1 4.11Å; A486-V509 HydrophobicContact CB-CG2 3.9Å; A506-V509 WeakPolarHBondContact O-CB 3.24Å; A506-V509 PolarHBondContact O-N 3.38Å; A506-V509 VanDerWaalsContact O-N 3.1Å; S507-V509 VanDerWaalsContact C-N 3.31Å; S507-V509 PolarHBondContact O-N 3.24Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.3Å; V509-R512 PolarHBondContact O-N 3.14Å; V509-R512 VanDerWaalsContact O-N 3.12Å; V509-L513 HydrophobicContact CG1-CD1 3.8Å; V509-L513 HydrophobicContact CG1-CG 4.16Å; V509-L513 WeakPolarHBondContact O-CG 3.48Å; V509-L513 PolarHBondContact O-N 2.67Å
510	G	98.9	Very high	98.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-56.6	-44.1	178.4	0	0	0	0	0	113.1	F231 A506 S507 L513 W514	F231-G510 VanDerWaalsContact CE2-CA 3.47Å; F231-G510 VanDerWaalsContact CZ-CA 3.44Å; A506-G510 PolarHBondContact O-N 3.29Å; S507-G510 PolarHBondContact O-N 3.4Å; G510-L513 PolarHBondContact O-N 2.88Å; G510-W514 WeakPolarHBondContact O-CB 3.5Å; G510-W514 PolarHBondContact O-N 2.85Å
511	E	98.9	Very high	98.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-42.5	175	178.3	155.6	110.1	0	0	112.4	W57 P58 L59 Y464 S507 V509 L513 W514 S515 R528	W57-E511 HydrophobicContact CD2-CB 4.39Å; W57-E511 HydrophobicContact CH2-CB 4.03Å; W57-E511 HydrophobicContact CH2-CG 4.41Å; W57-E511 HydrophobicContact CZ2-CB 3.38Å; W57-E511 HydrophobicContact CZ2-CG 4.22Å; P58-E511 WeakPolarHBondContact CA-OE2 3.17Å; P58-E511 HydrophobicContact CB-CB 4.23Å; P58-E511 HydrophobicContact CB-CG 4.37Å; L59-E511 PolarHBondContact N-OE2 2.61Å; Y464-E511 HydrophobicContact CE2-CB 4.05Å; Y464-E511 HydrophobicContact CE2-CG 3.8Å; Y464-E511 WeakPolarHBondContact CE2-OE1 3.5Å; Y464-E511 VanDerWaalsContact CZ-OE1 3.31Å; Y464-E511 PolarHBondContact OH-OE1 3.09Å; S507-E511 PolarHBondContact O-N 3.09Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.3Å; E511-L513 PolarHBondContact O-N 2.74Å; E511-W514 PolarHBondContact O-N 3.37Å; E511-S515 VanDerWaalsContact O-CB 3.3Å; E511-S515 WeakPolarHBondContact O-CB 3.47Å; E511-S515 PolarHBondContact O-N 3.06Å; E511-R528 IonicContact OE1-CZ 2.74Å; E511-R528 IonicContact OE1-NH1 3.76Å; E511-R528 PolarHBondContact OE1-NH1 2.84Å; E511-R528 IonicContact OE1-NH2 3.16Å; E511-R528 PolarHBondContact OE1-NH2 2.86Å; E511-R528 IonicContact OE2-CZ 2.85Å; E511-R528 IonicContact OE2-NH1 2.74Å; E511-R528 PolarHBondContact OE2-NH1 3.48Å; E511-R528 IonicContact OE2-NH2 3.3Å
512	R	98.9	Very high	98.7	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-33.9	177	179.2	53	60.6	-139.7	-10.5	112.6	W449 Y464 V466 P468 A508 V509 K517 V519	W449-R512 HydrophobicContact CZ2-CG 4.13Å; Y464-R512 PolarHBondContact O-NE 2.85Å; Y464-R512 VanDerWaalsContact O-NE 3.12Å; Y464-R512 PolarHBondContact O-NH2 2.83Å; V466-R512 WeakPolarHBondContact O-CD 3.33Å; V466-R512 WeakPolarHBondContact O-CG 3.33Å; V466-R512 PolarHBondContact O-NE 3.27Å; P468-R512 HydrophobicContact CG-CG 4.22Å; A508-R512 PolarHBondContact O-N 3.17Å; V509-R512 PolarHBondContact O-N 3.14Å; V509-R512 VanDerWaalsContact O-N 3.12Å; R512-K517 PolarHBondContact NH1-O 2.94Å; R512-V519 PolarHBondContact NH1-O 3.42Å; R512-V519 VanDerWaalsContact NH1-O 3.09Å; R512-V519 PolarHBondContact NH2-O 3.43Å
513	L	98.9	Very high	98.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-86.3	-22.3	-178.5	-65.2	-180	0	0	0	114.1	F200 R203 W449 G484 V509 G510 E511	F200-L513 HydrophobicContact CD2-CD2 3.93Å; F200-L513 HydrophobicContact CE2-CD2 4.47Å; F200-L513 PolarHBondContact N-O 3.28Å; F200-L513 VanDerWaalsContact N-O 3.16Å; R203-L513 HydrophobicContact CB-CB 4.47Å; R203-L513 HydrophobicContact CB-CD1 4.29Å; R203-L513 HydrophobicContact CG-CB 3.85Å; R203-L513 HydrophobicContact CG-CD1 4.37Å; W449-L513 HydrophobicContact CH2-CD2 3.72Å; W449-L513 HydrophobicContact CH2-CG 4.36Å; W449-L513 HydrophobicContact CZ3-CD2 4.12Å; G484-L513 VanDerWaalsContact O-CD1 3.28Å; G484-L513 WeakPolarHBondContact O-CD1 3.35Å; V509-L513 HydrophobicContact CG1-CD1 3.8Å; V509-L513 HydrophobicContact CG1-CG 4.16Å; V509-L513 WeakPolarHBondContact O-CG 3.48Å; V509-L513 PolarHBondContact O-N 2.67Å; G510-L513 PolarHBondContact O-N 2.88Å; E511-L513 PolarHBondContact O-N 2.74Å
514	W	98.9	Very high	98.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-95.1	-52.6	177.4	-178.6	-78.9	0	0	0	112.9	P58 E147 Y149 R170 D196 P198 R199 K230 G510 E511	P58-W514 HydrophobicContact CB-CB 3.68Å; P58-W514 HydrophobicContact CB-CG 3.7Å; P58-W514 HydrophobicContact CG-CB 3.7Å; P58-W514 HydrophobicContact CG-CG 3.91Å; E147-W514 HydrophobicContact CB-CH2 4.32Å; Y149-W514 HydrophobicContact CE1-CZ2 4.19Å; R170-W514 HydrophobicContact CB-CH2 3.9Å; R170-W514 HydrophobicContact CB-CZ2 4.48Å; R170-W514 HydrophobicContact CG-CH2 3.66Å; R170-W514 HydrophobicContact CG-CZ3 4.06Å; D196-W514 PolarHBondContact OD1-NE1 3.12Å; D196-W514 WeakPolarHBondContact OD2-CZ2 3.46Å; D196-W514 PolarHBondContact OD2-NE1 2.81Å; D196-W514 VanDerWaalsContact OD2-NE1 3.07Å; P198-W514 HydrophobicContact CB-CD2 4.12Å; P198-W514 HydrophobicContact CB-CE3 3.72Å; P198-W514 HydrophobicContact CB-CH2 4.24Å; P198-W514 HydrophobicContact CB-CZ3 3.8Å; P198-W514 HydrophobicContact CG-CH2 4.39Å; P198-W514 HydrophobicContact CG-CZ3 4.21Å; R199-W514 WeakPolarHBondContact CB-O 3.28Å; R199-W514 PolarHBondContact N-O 3.49Å; K230-W514 HydrophobicContact CB-CD2 4.06Å; K230-W514 HydrophobicContact CB-CE3 3.5Å; K230-W514 VanDerWaalsContact CB-CE3 3.5Å; K230-W514 HydrophobicContact CB-CZ3 3.82Å; K230-W514 HydrophobicContact CD-CD2 3.59Å; K230-W514 VanDerWaalsContact CD-CE2 3.49Å; K230-W514 HydrophobicContact CD-CE3 3.7Å; K230-W514 HydrophobicContact CD-CG 4.34Å; K230-W514 HydrophobicContact CD-CH2 3.78Å; K230-W514 HydrophobicContact CD-CZ2 3.61Å; K230-W514 HydrophobicContact CD-CZ3 3.8Å; K230-W514 HydrophobicContact CG-CD2 4.49Å; K230-W514 HydrophobicContact CG-CE3 4.25Å; K230-W514 HydrophobicContact CG-CZ3 4.38Å; G510-W514 WeakPolarHBondContact O-CB 3.5Å; G510-W514 PolarHBondContact O-N 2.85Å; E511-W514 PolarHBondContact O-N 3.37Å
515	S	98.8	Very high	98.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.168	C	C	.	.	S	Bend	trans	-78.9	167.3	-169.3	-60.8	0	0	0	0	112.4	L59 R199 E511	L59-S515 PolarHBondContact N-OG 3.44Å; L59-S515 WeakPolarHBondContact O-CB 3.36Å; L59-S515 PolarHBondContact O-OG 2.99Å; R199-S515 WeakPolarHBondContact CB-O 3.41Å; R199-S515 VanDerWaalsContact CD-O 3.23Å; R199-S515 WeakPolarHBondContact CD-O 3.44Å; E511-S515 VanDerWaalsContact O-CB 3.3Å; E511-S515 WeakPolarHBondContact O-CB 3.47Å; E511-S515 PolarHBondContact O-N 3.06Å
516	S	98.5	Very high	98.6	Very high	39 Å²	39	33.5 Å²	33.5	27%	0.273	17%	0.17	S	C	.	.			trans	-61.1	156.1	-179.5	-175	0	0	0	0	113	D518 V519	S516-D518 WeakPolarHBondContact CB-OD1 3.43Å; S516-D518 PolarHBondContact O-N 3.19Å; S516-D518 PolarHBondContact OG-OD1 2.75Å; S516-V519 PolarHBondContact O-N 3.25Å; S516-V519 VanDerWaalsContact O-N 3.14Å
517	K	98.6	Very high	98.5	Very high	93 Å²	93	35.8 Å²	35.8	40%	0.404	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37	179.9	173.1	167.2	-176.2	162.7	0	112.5	E467 D470 R512 R520	E467-K517 IonicContact OE1-NZ 2.94Å; D470-K517 IonicContact OD1-NZ 3.85Å; D470-K517 PolarHBondContact OD1-NZ 2.94Å; R512-K517 PolarHBondContact NH1-O 2.94Å; K517-R520 VanDerWaalsContact O-CD 3.29Å; K517-R520 WeakPolarHBondContact O-CD 3.38Å; K517-R520 VanDerWaalsContact O-CG 3.28Å; K517-R520 WeakPolarHBondContact O-CG 3.41Å
518	D	98	Very high	98.4	Very high	126 Å²	126	36.3 Å²	36.3	67%	0.674	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.6	-175.2	58.3	-29.7	0	0	0	114.5	S516 R520	S516-D518 WeakPolarHBondContact CB-OD1 3.43Å; S516-D518 PolarHBondContact O-N 3.19Å; S516-D518 PolarHBondContact OG-OD1 2.75Å; D518-R520 PolarHBondContact O-N 3.05Å
519	V	98.6	Very high	98.4	Very high	23 Å²	23	36.3 Å²	36.3	14%	0.139	18%	0.184	C	C	.	.			trans	-74.4	91.4	172	-175.6	0	0	0	0	109	L59 Y464 R512 S516	L59-V519 HydrophobicContact CB-CG1 4.2Å; L59-V519 HydrophobicContact CD2-CG1 3.85Å; L59-V519 HydrophobicContact CD2-CG2 4.06Å; Y464-V519 PolarHBondContact OH-O 3.22Å; R512-V519 PolarHBondContact NH1-O 3.42Å; R512-V519 VanDerWaalsContact NH1-O 3.09Å; R512-V519 PolarHBondContact NH2-O 3.43Å; S516-V519 PolarHBondContact O-N 3.25Å; S516-V519 VanDerWaalsContact O-N 3.14Å
520	R	98.1	Very high	98.3	Very high	85 Å²	85	37.5 Å²	37.5	32%	0.321	19%	0.192	S	C	.	.			trans	-145.5	2.9	-173.4	-46.6	-164.5	71.8	-179.9	-0.5	114.8	K465 K517 D518 M522	K465-R520 VanDerWaalsContact C-NH2 3.25Å; K465-R520 PolarHBondContact O-NH2 2.73Å; K517-R520 VanDerWaalsContact O-CD 3.29Å; K517-R520 WeakPolarHBondContact O-CD 3.38Å; K517-R520 VanDerWaalsContact O-CG 3.28Å; K517-R520 WeakPolarHBondContact O-CG 3.41Å; D518-R520 PolarHBondContact O-N 3.05Å; R520-M522 PolarHBondContact O-N 2.83Å
521	D	98.5	Very high	98.2	Very high	97 Å²	97	39.5 Å²	39.5	52%	0.519	20%	0.199	S	C	.	.			trans	-65.1	121	178.1	-176.6	-93.6	0	0	0	110	D523 D524 A525	D521-D523 PolarHBondContact OD1-N 2.84Å; D521-D524 HydrophobicContact CB-CB 4.13Å; D521-D524 VanDerWaalsContact OD1-CB 3.31Å; D521-D524 WeakPolarHBondContact OD1-CB 3.34Å; D521-D524 PolarHBondContact OD1-N 2.92Å; D521-A525 WeakPolarHBondContact O-CB 3.16Å; D521-A525 PolarHBondContact O-N 3.07Å
522	M	98.3	Very high	98.1	Very high	32 Å²	32	39.5 Å²	39.5	16%	0.158	20%	0.199	C	C	.	.	H	α-helix	trans	-76.4	-26	-169.3	-67.7	-57.6	-45	0	0	113.1	W460 R461 Y464 K465 R520 Y526	W460-M522 HydrophobicContact CH2-CE 3.73Å; W460-M522 HydrophobicContact CZ2-CE 4.41Å; W460-M522 HydrophobicContact CZ3-CE 3.96Å; R461-M522 HydrophobicContact CB-CE 3.81Å; R461-M522 HydrophobicContact CG-CE 3.58Å; Y464-M522 HydrophobicContact CD1-CE 4.26Å; Y464-M522 HydrophobicContact CD1-SD 3.83Å; Y464-M522 HydrophobicContact CE1-SD 4.29Å; K465-M522 HydrophobicContact CD-SD 4.36Å; K465-M522 VanDerWaalsContact CE-SD 3.52Å; K465-M522 HydrophobicContact CG-SD 3.93Å; R520-M522 PolarHBondContact O-N 2.83Å; M522-Y526 WeakPolarHBondContact O-CB 2.93Å; M522-Y526 PolarHBondContact O-N 2.58Å; M522-Y526 VanDerWaalsContact O-N 3.08Å
523	D	98	Very high	98	Very high	119 Å²	119	40.9 Å²	40.9	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-81.6	-43.9	-177.8	-67.8	-19.9	0	0	0	109.6	D521 Y526 D527	D521-D523 PolarHBondContact OD1-N 2.84Å; D523-Y526 PolarHBondContact O-N 3.03Å; D523-D527 PolarHBondContact O-N 2.87Å
524	D	97.7	Very high	97.9	Very high	65 Å²	65	42 Å²	42	35%	0.348	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-44.8	169.4	173	70	0	0	0	111.8	D521 Y526 D527 R528	D521-D524 HydrophobicContact CB-CB 4.13Å; D521-D524 VanDerWaalsContact OD1-CB 3.31Å; D521-D524 WeakPolarHBondContact OD1-CB 3.34Å; D521-D524 PolarHBondContact OD1-N 2.92Å; D524-Y526 VanDerWaalsContact C-N 3.31Å; D524-Y526 PolarHBondContact O-N 3.02Å; D524-D527 PolarHBondContact O-N 3.27Å; D524-R528 VanDerWaalsContact CG-NE 3.31Å; D524-R528 PolarHBondContact O-N 2.88Å; D524-R528 IonicContact OD1-NE 3.5Å; D524-R528 PolarHBondContact OD1-NE 3.23Å; D524-R528 IonicContact OD2-CZ 3.75Å; D524-R528 VanDerWaalsContact OD2-CZ 3.23Å; D524-R528 IonicContact OD2-NE 2.8Å; D524-R528 PolarHBondContact OD2-NE 2.84Å; D524-R528 IonicContact OD2-NH2 3.38Å; D524-R528 PolarHBondContact OD2-NH2 3.12Å
525	A	98.4	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-42	175.9	0	0	0	0	0	111.7	W57 W460 Y464 D521 L529	W57-A525 HydrophobicContact CZ3-CB 4.43Å; W460-A525 HydrophobicContact CH2-CB 4.24Å; W460-A525 HydrophobicContact CZ3-CB 4.19Å; Y464-A525 HydrophobicContact CD1-CB 4.42Å; Y464-A525 HydrophobicContact CE1-CB 3.74Å; Y464-A525 HydrophobicContact CE2-CB 4.25Å; D521-A525 WeakPolarHBondContact O-CB 3.16Å; D521-A525 PolarHBondContact O-N 3.07Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.01Å
526	Y	98.3	Very high	97.6	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-44.3	176.9	179.4	-97.8	0	0	0	112	V48 W460 M522 D523 D524 T530 L546	V48-Y526 HydrophobicContact CG2-CE1 4Å; W460-Y526 AromaticContact CZ2-CD2 3.84Å; W460-Y526 HydrophobicContact CZ2-CD2 3.84Å; W460-Y526 HydrophobicContact CZ2-CG 4.5Å; M522-Y526 WeakPolarHBondContact O-CB 2.93Å; M522-Y526 PolarHBondContact O-N 2.58Å; M522-Y526 VanDerWaalsContact O-N 3.08Å; D523-Y526 PolarHBondContact O-N 3.03Å; D524-Y526 VanDerWaalsContact C-N 3.31Å; D524-Y526 PolarHBondContact O-N 3.02Å; Y526-T530 HydrophobicContact CD1-CG2 4.36Å; Y526-T530 HydrophobicContact CD2-CG2 4.26Å; Y526-T530 HydrophobicContact CE1-CG2 4.02Å; Y526-T530 HydrophobicContact CE2-CG2 3.93Å; Y526-T530 HydrophobicContact CG-CG2 4.48Å; Y526-T530 WeakPolarHBondContact O-CB 3.2Å; Y526-T530 WeakPolarHBondContact O-CG2 3.48Å; Y526-T530 PolarHBondContact O-N 3.04Å; Y526-T530 PolarHBondContact O-OG1 2.89Å; Y526-L546 HydrophobicContact CD2-CD1 4.19Å; Y526-L546 HydrophobicContact CE2-CB 4.22Å; Y526-L546 HydrophobicContact CE2-CD1 4.36Å
527	D	96.9	Very high	97.5	Very high	48 Å²	48	42.8 Å²	42.8	26%	0.257	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-51.6	176.9	-177.5	84.5	0	0	0	111.7	D523 D524 L529 T530 R531	D523-D527 PolarHBondContact O-N 2.87Å; D524-D527 PolarHBondContact O-N 3.27Å; D527-L529 PolarHBondContact O-N 3.19Å; D527-T530 PolarHBondContact O-OG1 2.87Å; D527-R531 WeakPolarHBondContact O-CD 3.4Å; D527-R531 WeakPolarHBondContact O-CG 3.23Å; D527-R531 PolarHBondContact O-N 2.8Å; D527-R531 IonicContact OD2-CZ 2.86Å; D527-R531 IonicContact OD2-NH1 3.82Å; D527-R531 PolarHBondContact OD2-NH1 2.77Å
528	R	98.1	Very high	97.2	Very high	11 Å²	11	40 Å²	40	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-66.7	-40.5	-178.6	-67.3	-176.4	-64.7	95	3.2	111.8	L56 W57 E511 D524 R531 H532	L56-R528 WeakPolarHBondContact O-CD 3.27Å; L56-R528 PolarHBondContact O-NH1 2.59Å; W57-R528 HydrophobicContact CE3-CB 4.09Å; W57-R528 VanDerWaalsContact CE3-NH1 3.27Å; E511-R528 IonicContact OE1-CZ 2.74Å; E511-R528 IonicContact OE1-NH1 3.76Å; E511-R528 PolarHBondContact OE1-NH1 2.84Å; E511-R528 IonicContact OE1-NH2 3.16Å; E511-R528 PolarHBondContact OE1-NH2 2.86Å; E511-R528 IonicContact OE2-CZ 2.85Å; E511-R528 IonicContact OE2-NH1 2.74Å; E511-R528 PolarHBondContact OE2-NH1 3.48Å; E511-R528 IonicContact OE2-NH2 3.3Å; D524-R528 VanDerWaalsContact CG-NE 3.31Å; D524-R528 PolarHBondContact O-N 2.88Å; D524-R528 IonicContact OD1-NE 3.5Å; D524-R528 PolarHBondContact OD1-NE 3.23Å; D524-R528 IonicContact OD2-CZ 3.75Å; D524-R528 VanDerWaalsContact OD2-CZ 3.23Å; D524-R528 IonicContact OD2-NE 2.8Å; D524-R528 PolarHBondContact OD2-NE 2.84Å; D524-R528 IonicContact OD2-NH2 3.38Å; D524-R528 PolarHBondContact OD2-NH2 3.12Å; R528-R531 PolarHBondContact O-N 2.88Å; R528-H532 VanDerWaalsContact O-CB 3.3Å; R528-H532 WeakPolarHBondContact O-CB 3.34Å; R528-H532 PolarHBondContact O-N 2.89Å
529	L	98.4	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-38.2	-176.6	-169.9	56.7	0	0	0	112.9	W57 W460 P504 A525 D527 R531 H532 R533 L546	W57-L529 HydrophobicContact CD2-CD1 3.79Å; W57-L529 HydrophobicContact CE3-CB 3.9Å; W57-L529 HydrophobicContact CE3-CD1 3.97Å; W57-L529 HydrophobicContact CE3-CG 4.5Å; W57-L529 HydrophobicContact CG-CD1 4.46Å; W57-L529 HydrophobicContact CH2-CB 3.96Å; W57-L529 HydrophobicContact CH2-CD1 3.93Å; W57-L529 HydrophobicContact CH2-CD2 3.99Å; W57-L529 HydrophobicContact CH2-CG 4.17Å; W57-L529 HydrophobicContact CZ2-CD1 3.73Å; W57-L529 HydrophobicContact CZ2-CD2 4.29Å; W57-L529 HydrophobicContact CZ2-CG 4.43Å; W57-L529 HydrophobicContact CZ3-CB 3.57Å; W57-L529 HydrophobicContact CZ3-CD1 4.05Å; W57-L529 HydrophobicContact CZ3-CD2 4.47Å; W57-L529 HydrophobicContact CZ3-CG 4.22Å; W460-L529 HydrophobicContact CD2-CD2 3.88Å; W460-L529 HydrophobicContact CE3-CD2 3.6Å; W460-L529 HydrophobicContact CG-CD2 4.41Å; W460-L529 HydrophobicContact CZ3-CD2 4Å; P504-L529 HydrophobicContact CB-CD1 4.09Å; P504-L529 HydrophobicContact CB-CG 4.4Å; A525-L529 WeakPolarHBondContact O-CB 3.31Å; A525-L529 PolarHBondContact O-N 3.01Å; D527-L529 PolarHBondContact O-N 3.19Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 2.7Å; L529-H532 PolarHBondContact O-N 3.42Å; L529-R533 VanDerWaalsContact O-CB 3.31Å; L529-R533 WeakPolarHBondContact O-CB 3.36Å; L529-R533 PolarHBondContact O-N 2.9Å; L529-L546 HydrophobicContact CB-CD1 3.89Å; L529-L546 HydrophobicContact CD2-CD1 3.9Å; L529-L546 HydrophobicContact CD2-CD2 3.9Å; L529-L546 HydrophobicContact CG-CD1 3.75Å; L529-L546 HydrophobicContact CG-CD2 4.32Å
530	T	97.4	Very high	96.9	Very high	25 Å²	25	35.6 Å²	35.6	15%	0.153	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-44.4	174.2	49.4	0	0	0	0	111	Y526 D527 R533 C534 L546	Y526-T530 HydrophobicContact CD1-CG2 4.36Å; Y526-T530 HydrophobicContact CD2-CG2 4.26Å; Y526-T530 HydrophobicContact CE1-CG2 4.02Å; Y526-T530 HydrophobicContact CE2-CG2 3.93Å; Y526-T530 HydrophobicContact CG-CG2 4.48Å; Y526-T530 WeakPolarHBondContact O-CB 3.2Å; Y526-T530 WeakPolarHBondContact O-CG2 3.48Å; Y526-T530 PolarHBondContact O-N 3.04Å; Y526-T530 PolarHBondContact O-OG1 2.89Å; D527-T530 PolarHBondContact O-OG1 2.87Å; T530-R533 WeakPolarHBondContact O-CB 3.3Å; T530-R533 PolarHBondContact O-N 2.78Å; T530-C534 PolarHBondContact O-N 2.99Å; T530-C534 VanDerWaalsContact O-N 3.12Å; T530-C534 PolarHBondContact O-SG 2.9Å; T530-L546 HydrophobicContact CG2-CB 4.39Å; T530-L546 HydrophobicContact CG2-CD1 3.63Å; T530-L546 HydrophobicContact CG2-CG 4.46Å
531	R	95.5	Very high	96.9	Very high	44 Å²	44	31.8 Å²	31.8	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-38.9	179.5	-67.3	163.7	64.7	-150.2	-2.6	112.4	G53 P54 A55 D527 R528 L529 C534 R535	G53-R531 PolarHBondContact O-NH2 2.6Å; P54-R531 PolarHBondContact O-NH1 3.37Å; P54-R531 PolarHBondContact O-NH2 3.48Å; A55-R531 HydrophobicContact CB-CB 3.48Å; A55-R531 VanDerWaalsContact CB-CB 3.48Å; A55-R531 HydrophobicContact CB-CG 4.48Å; D527-R531 WeakPolarHBondContact O-CD 3.4Å; D527-R531 WeakPolarHBondContact O-CG 3.23Å; D527-R531 PolarHBondContact O-N 2.8Å; D527-R531 IonicContact OD2-CZ 2.86Å; D527-R531 IonicContact OD2-NH1 3.82Å; D527-R531 PolarHBondContact OD2-NH1 2.77Å; R528-R531 PolarHBondContact O-N 2.88Å; L529-R531 VanDerWaalsContact C-N 3.31Å; L529-R531 PolarHBondContact O-N 2.7Å; R531-C534 PolarHBondContact O-N 3.01Å; R531-R535 PolarHBondContact O-N 2.96Å; R531-R535 VanDerWaalsContact O-N 3.08Å
532	H	97.5	Very high	96.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-42	171.9	-179.5	59.7	0	0	0	111.9	W57 N229 R528 L529 C534 R535 M536	W57-H532 HydrophobicContact CB-CB 3.78Å; W57-H532 AromaticContact CD1-CD2 3.54Å; W57-H532 AromaticContact CD1-NE2 3.66Å; W57-H532 HydrophobicContact CG-CB 4.25Å; W57-H532 AromaticContact CG-CD2 3.59Å; W57-H532 AromaticContact CG-CG 3.89Å; N229-H532 PolarHBondContact OD1-NE2 3.39Å; R528-H532 VanDerWaalsContact O-CB 3.3Å; R528-H532 WeakPolarHBondContact O-CB 3.34Å; R528-H532 PolarHBondContact O-N 2.89Å; L529-H532 PolarHBondContact O-N 3.42Å; H532-C534 VanDerWaalsContact C-N 3.32Å; H532-C534 PolarHBondContact O-N 2.98Å; H532-R535 WeakPolarHBondContact O-CB 3.49Å; H532-R535 PolarHBondContact O-N 3.27Å; H532-R535 VanDerWaalsContact O-N 3.14Å; H532-M536 WeakPolarHBondContact O-CG 3.48Å; H532-M536 PolarHBondContact O-N 2.86Å
533	R	97.6	Very high	96.9	Very high	30 Å²	30	28.7 Å²	28.7	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-45	173.6	176.9	-86.8	179.9	-179.7	-3.7	111.3	P504 L529 T530 R535 M536 V537 A543 Q544 C551 E554	P504-R533 HydrophobicContact CB-CB 4.34Å; P504-R533 HydrophobicContact CB-CG 4.48Å; P504-R533 HydrophobicContact CG-CB 4.38Å; P504-R533 HydrophobicContact CG-CG 4.19Å; L529-R533 VanDerWaalsContact O-CB 3.31Å; L529-R533 WeakPolarHBondContact O-CB 3.36Å; L529-R533 PolarHBondContact O-N 2.9Å; T530-R533 WeakPolarHBondContact O-CB 3.3Å; T530-R533 PolarHBondContact O-N 2.78Å; R533-R535 VanDerWaalsContact C-N 3.32Å; R533-R535 PolarHBondContact O-N 2.52Å; R533-M536 WeakPolarHBondContact O-CB 3.44Å; R533-M536 PolarHBondContact O-N 3.3Å; R533-V537 WeakPolarHBondContact O-CG2 3.06Å; R533-V537 PolarHBondContact O-N 2.88Å; R533-A543 HydrophobicContact CG-CB 3.99Å; R533-A543 VanDerWaalsContact CZ-O 3.3Å; R533-A543 PolarHBondContact NE-O 3.37Å; R533-A543 PolarHBondContact NH2-O 2.86Å; R533-Q544 WeakPolarHBondContact CG-O 3.37Å; R533-Q544 PolarHBondContact NE-O 3.14Å; R533-C551 PolarHBondContact NH1-SG 3.28Å; R533-E554 IonicContact NH1-OE1 3.31Å; R533-E554 PolarHBondContact NH1-OE1 2.79Å
534	C	95.5	Very high	96.9	Very high	23 Å²	23	26.5 Å²	26.5	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-44.3	175.8	-67.4	0	0	0	0	111.6	T530 R531 H532 M536 V537 E538 C551	T530-C534 PolarHBondContact O-N 2.99Å; T530-C534 VanDerWaalsContact O-N 3.12Å; T530-C534 PolarHBondContact O-SG 2.9Å; R531-C534 PolarHBondContact O-N 3.01Å; H532-C534 VanDerWaalsContact C-N 3.32Å; H532-C534 PolarHBondContact O-N 2.98Å; C534-M536 VanDerWaalsContact C-N 3.3Å; C534-M536 PolarHBondContact O-N 2.81Å; C534-V537 WeakPolarHBondContact O-CB 3.28Å; C534-V537 PolarHBondContact O-N 2.85Å; C534-V537 VanDerWaalsContact O-N 3.12Å; C534-E538 WeakPolarHBondContact O-CG 3.1Å; C534-E538 PolarHBondContact O-N 2.85Å; C534-C551 WeakPolarHBondContact CA-SG 3.13Å; C534-C551 HydrophobicContact CB-CB 3.68Å; C534-C551 WeakPolarHBondContact CB-SG 3.42Å; C534-C551 WeakPolarHBondContact SG-CB 3.32Å; C534-C551 CovalentContact SG-SG 2.03Å; C534-C551 PolarHBondContact SG-SG 2.94Å
535	R	95	Very high	96.9	Very high	30 Å²	30	27.1 Å²	27.1	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-38.3	175	-170.9	-174.1	-57.8	137.2	-2.5	112.7	A55 Q177 R531 H532 R533 E538 R539	A55-R535 VanDerWaalsContact O-CZ 3.29Å; A55-R535 PolarHBondContact O-NH1 3.01Å; A55-R535 PolarHBondContact O-NH2 2.6Å; Q177-R535 VanDerWaalsContact CB-NH1 3.33Å; Q177-R535 PolarHBondContact O-NH2 2.88Å; R531-R535 PolarHBondContact O-N 2.96Å; R531-R535 VanDerWaalsContact O-N 3.08Å; H532-R535 WeakPolarHBondContact O-CB 3.49Å; H532-R535 PolarHBondContact O-N 3.27Å; H532-R535 VanDerWaalsContact O-N 3.14Å; R533-R535 VanDerWaalsContact C-N 3.32Å; R533-R535 PolarHBondContact O-N 2.52Å; R535-E538 PolarHBondContact O-N 3.04Å; R535-R539 WeakPolarHBondContact O-CB 3.32Å; R535-R539 WeakPolarHBondContact O-CG 3.22Å; R535-R539 PolarHBondContact O-N 3.2Å
536	M	96.9	Very high	96.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-43.3	174.3	-70.6	-176.9	67.1	0	0	111.4	A225 N229 W503 H532 R533 C534 R539 G540 I541 A543	A225-M536 HydrophobicContact CB-CE 4.02Å; N229-M536 WeakPolarHBondContact ND2-CE 3.38Å; N229-M536 PolarHBondContact ND2-SD 3.05Å; W503-M536 HydrophobicContact CB-CE 3.68Å; W503-M536 HydrophobicContact CD2-CE 3.63Å; W503-M536 HydrophobicContact CE3-CE 3.81Å; W503-M536 HydrophobicContact CG-CE 3.56Å; H532-M536 WeakPolarHBondContact O-CG 3.48Å; H532-M536 PolarHBondContact O-N 2.86Å; R533-M536 WeakPolarHBondContact O-CB 3.44Å; R533-M536 PolarHBondContact O-N 3.3Å; C534-M536 VanDerWaalsContact C-N 3.3Å; C534-M536 PolarHBondContact O-N 2.81Å; M536-R539 CarbonylContact O-C 3.35Å; M536-R539 PolarHBondContact O-N 3.33Å; M536-G540 PolarHBondContact O-N 2.92Å; M536-I541 CarbonylContact C-O 3.2Å; M536-I541 HydrophobicContact CB-CB 4.19Å; M536-I541 HydrophobicContact CE-CB 4.32Å; M536-I541 HydrophobicContact CE-CG2 3.73Å; M536-I541 WeakPolarHBondContact O-CA 3.41Å; M536-I541 WeakPolarHBondContact O-CB 3.48Å; M536-I541 PolarHBondContact O-N 2.97Å; M536-A543 HydrophobicContact CB-CB 4.34Å
537	V	95.9	Very high	96.8	Very high	28 Å²	28	31.7 Å²	31.7	17%	0.17	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-46.2	175.1	174.1	0	0	0	0	111.3	R533 C534 R539 G540 I541 A543	R533-V537 WeakPolarHBondContact O-CG2 3.06Å; R533-V537 PolarHBondContact O-N 2.88Å; C534-V537 WeakPolarHBondContact O-CB 3.28Å; C534-V537 PolarHBondContact O-N 2.85Å; C534-V537 VanDerWaalsContact O-N 3.12Å; V537-R539 PolarHBondContact O-N 2.82Å; V537-G540 WeakPolarHBondContact O-CA 3.3Å; V537-G540 PolarHBondContact O-N 2.92Å; V537-I541 VanDerWaalsContact CA-O 3.23Å; V537-I541 WeakPolarHBondContact CA-O 3.44Å; V537-I541 PolarHBondContact N-O 3.48Å; V537-A543 HydrophobicContact CG2-CB 4.46Å
538	E	92.8	Very high	96.8	Very high	33 Å²	33	33 Å²	33	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-38	174.5	-73.4	166	-172.4	0	0	111.8	F108 C534 R535 G540 H553	F108-E538 WeakPolarHBondContact CD1-O 3.39Å; F108-E538 WeakPolarHBondContact CE1-O 3.28Å; C534-E538 WeakPolarHBondContact O-CG 3.1Å; C534-E538 PolarHBondContact O-N 2.85Å; R535-E538 PolarHBondContact O-N 3.04Å; E538-G540 PolarHBondContact O-N 2.89Å; E538-H553 HydrophobicContact CG-CB 3.8Å; E538-H553 IonicContact OE1-CD2 2.69Å; E538-H553 PolarHBondContact OE1-CD2 3.21Å
539	R	95.4	Very high	96.6	Very high	22 Å²	22	36 Å²	36	8%	0.083	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	13.1	175.4	-66.8	177.3	-178.3	-173.9	1.9	114.3	Y104 F108 E173 S176 F228 R535 M536 V537	Y104-R539 HydrophobicContact CD1-CG 4.17Å; F108-R539 HydrophobicContact CE2-CB 4.47Å; F108-R539 HydrophobicContact CE2-CG 3.64Å; F108-R539 HydrophobicContact CZ-CB 4.2Å; F108-R539 HydrophobicContact CZ-CG 3.85Å; E173-R539 IonicContact OE1-NH1 3.91Å; E173-R539 PolarHBondContact OE1-NH1 2.85Å; E173-R539 VanDerWaalsContact OE1-NH1 3.16Å; E173-R539 IonicContact OE2-CZ 3.73Å; E173-R539 IonicContact OE2-NH1 3.86Å; E173-R539 PolarHBondContact OE2-NH1 2.83Å; S176-R539 PolarHBondContact OG-NH2 3.3Å; F228-R539 HydrophobicContact CE2-CB 3.78Å; F228-R539 HydrophobicContact CE2-CG 4.45Å; F228-R539 HydrophobicContact CZ-CB 4.13Å; R535-R539 WeakPolarHBondContact O-CB 3.32Å; R535-R539 WeakPolarHBondContact O-CG 3.22Å; R535-R539 PolarHBondContact O-N 3.2Å; M536-R539 CarbonylContact O-C 3.35Å; M536-R539 PolarHBondContact O-N 3.33Å; V537-R539 PolarHBondContact O-N 2.82Å
540	G	95.3	Very high	96.3	Very high	36 Å²	36	42.9 Å²	42.9	37%	0.371	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	16.1	176	0	0	0	0	0	114.8	K221 M536 V537 E538	K221-G540 VanDerWaalsContact CE-O 3.23Å; K221-G540 WeakPolarHBondContact CE-O 3.48Å; K221-G540 PolarHBondContact NZ-O 3.31Å; M536-G540 PolarHBondContact O-N 2.92Å; V537-G540 WeakPolarHBondContact O-CA 3.3Å; V537-G540 PolarHBondContact O-N 2.92Å; E538-G540 PolarHBondContact O-N 2.89Å
541	I	97.9	Very high	95.9	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	25%	0.25	C	S	.	.			trans	-96.5	110	171.4	-51.8	-57.8	0	0	0	108.3	K221 A225 F228 T499 W503 M536 V537 A543	K221-I541 HydrophobicContact CB-CD1 4.47Å; A225-I541 HydrophobicContact CB-CD1 4.11Å; A225-I541 HydrophobicContact CB-CG1 4.14Å; A225-I541 HydrophobicContact CB-CG2 4.01Å; F228-I541 HydrophobicContact CD2-CG1 4.2Å; F228-I541 HydrophobicContact CE2-CD1 4.41Å; F228-I541 HydrophobicContact CE2-CG1 3.82Å; T499-I541 HydrophobicContact CG2-CG2 3.6Å; W503-I541 HydrophobicContact CG-CG2 4.32Å; M536-I541 CarbonylContact C-O 3.2Å; M536-I541 HydrophobicContact CB-CB 4.19Å; M536-I541 HydrophobicContact CE-CB 4.32Å; M536-I541 HydrophobicContact CE-CG2 3.73Å; M536-I541 WeakPolarHBondContact O-CA 3.41Å; M536-I541 WeakPolarHBondContact O-CB 3.48Å; M536-I541 PolarHBondContact O-N 2.97Å; V537-I541 VanDerWaalsContact CA-O 3.23Å; V537-I541 WeakPolarHBondContact CA-O 3.44Å; V537-I541 PolarHBondContact N-O 3.48Å; I541-A543 PolarHBondContact O-N 3.04Å
542	A	97.9	Very high	95.2	Very high	63 Å²	63	45.7 Å²	45.7	52%	0.521	27%	0.271	S	S	.	.			trans	-71.5	60.8	-179	0	0	0	0	0	112.7	T499 P500	T499-A542 HydrophobicContact CG2-CB 4.29Å; P500-A542 VanDerWaalsContact CA-O 3.23Å; P500-A542 WeakPolarHBondContact CA-O 3.4Å; P500-A542 WeakPolarHBondContact CB-O 3.36Å
543	A	98.4	Very high	93.7	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-71.1	133.4	177.8	0	0	0	0	0	110.4	W503 R533 M536 V537 I541	W503-A543 HydrophobicContact CB-CB 3.69Å; W503-A543 CarbonylContact O-C 3.57Å; W503-A543 VanDerWaalsContact O-CA 3.25Å; W503-A543 WeakPolarHBondContact O-CA 3.22Å; R533-A543 HydrophobicContact CG-CB 3.99Å; R533-A543 VanDerWaalsContact CZ-O 3.3Å; R533-A543 PolarHBondContact NE-O 3.37Å; R533-A543 PolarHBondContact NH2-O 2.86Å; M536-A543 HydrophobicContact CB-CB 4.34Å; V537-A543 HydrophobicContact CG2-CB 4.46Å; I541-A543 PolarHBondContact O-N 3.04Å
544	Q	98	Very high	91.6	Very high	73 Å²	73	51.2 Å²	51.2	34%	0.341	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-69.1	159.1	-178.4	72.1	-179.6	17.3	0	0	112	P500 W503 P504 R533	P500-Q544 HydrophobicContact CB-CB 4.18Å; P500-Q544 WeakPolarHBondContact O-CB 3.28Å; P500-Q544 WeakPolarHBondContact O-CG 3.42Å; P500-Q544 PolarHBondContact O-OE1 3.08Å; P500-Q544 VanDerWaalsContact O-OE1 3.12Å; W503-Q544 PolarHBondContact O-N 2.89Å; P504-Q544 WeakPolarHBondContact CD-O 3.39Å; R533-Q544 WeakPolarHBondContact CG-O 3.37Å; R533-Q544 PolarHBondContact NE-O 3.14Å
545	P	98.1	Very high	89.2	Confident	77 Å²	77	58 Å²	58	50%	0.5	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.1	155.5	173.1	-19.2	32	0	0	0	112.3
546	L	97.9	Very high	86.6	Confident	21 Å²	21	63.2 Å²	63.2	11%	0.11	36%	0.36	C	S	.	.	S	Bend	trans	-82	-38.6	167.1	-68	179.5	0	0	0	112.2	W460 P504 Y526 L529 T530	W460-L546 HydrophobicContact CB-CD2 4.43Å; W460-L546 HydrophobicContact CD2-CD2 4.22Å; W460-L546 HydrophobicContact CG-CD2 3.8Å; P504-L546 HydrophobicContact CG-CD2 3.5Å; P504-L546 HydrophobicContact CG-CG 4.13Å; Y526-L546 HydrophobicContact CD2-CD1 4.19Å; Y526-L546 HydrophobicContact CE2-CB 4.22Å; Y526-L546 HydrophobicContact CE2-CD1 4.36Å; L529-L546 HydrophobicContact CB-CD1 3.89Å; L529-L546 HydrophobicContact CD2-CD1 3.9Å; L529-L546 HydrophobicContact CD2-CD2 3.9Å; L529-L546 HydrophobicContact CG-CD1 3.75Å; L529-L546 HydrophobicContact CG-CD2 4.32Å; T530-L546 HydrophobicContact CG2-CB 4.39Å; T530-L546 HydrophobicContact CG2-CD1 3.63Å; T530-L546 HydrophobicContact CG2-CG 4.46Å
547	Y	97.3	Very high	86.1	Confident	93 Å²	93	66.3 Å²	66.3	37%	0.365	38%	0.378	S	S	.	.	S	Bend	trans	-161	-170.6	-177.7	-165.2	-113.3	0	0	0	109	A42 A45	A42-Y547 VanDerWaalsContact CA-OH 3.26Å; A42-Y547 WeakPolarHBondContact CA-OH 3.39Å; A42-Y547 WeakPolarHBondContact CB-OH 3.19Å; A45-Y547 HydrophobicContact CB-CD1 3.54Å; A45-Y547 HydrophobicContact CB-CE1 3.4Å; A45-Y547 VanDerWaalsContact CB-CE1 3.4Å
548	A	96	Very high	85.6	Confident	77 Å²	77	68.3 Å²	68.3	64%	0.636	39%	0.389	S	S	*	.	S	Bend	trans	-59.7	142.9	170.9	0	0	0	0	0	111.8
549	G	92.9	Very high	85.2	Confident	72 Å²	72	70.3 Å²	70.3	74%	0.742	40%	0.402	S	S	*	.			trans	156.3	-169.8	-176	0	0	0	0	0	110.7
550	Y	92.7	Very high	84.6	Confident	146 Å²	146	73.1 Å²	73.1	57%	0.573	42%	0.421	S	S	*	.			trans	-151.2	160.1	174.9	72.6	-77.1	0	0	0	110.5	N552	Y550-N552 WeakPolarHBondContact CE2-OD1 3.43Å
551	C	89.2	Confident	84	Confident	14 Å²	14	75.4 Å²	75.4	10%	0.095	42%	0.424	C	S	.	.			trans	-110.5	151.6	164.8	-48	0	0	0	0	109.6	R533 C534 H553 E554	R533-C551 PolarHBondContact NH1-SG 3.28Å; C534-C551 WeakPolarHBondContact CA-SG 3.13Å; C534-C551 HydrophobicContact CB-CB 3.68Å; C534-C551 WeakPolarHBondContact CB-SG 3.42Å; C534-C551 WeakPolarHBondContact SG-CB 3.32Å; C534-C551 CovalentContact SG-SG 2.03Å; C534-C551 PolarHBondContact SG-SG 2.94Å; C551-H553 PolarHBondContact O-N 3.03Å; C551-H553 VanDerWaalsContact O-N 3.16Å; C551-E554 HydrophobicContact CB-CG 3.62Å; C551-E554 PolarHBondContact N-OE1 3.26Å
552	N	80.5	Confident	83	Confident	113 Å²	113	80.2 Å²	80.2	60%	0.604	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	179.9	-70.8	-25.9	0	0	0	113.7	Y550	Y550-N552 WeakPolarHBondContact CE2-OD1 3.43Å
553	H	65.6	Low	82	Confident	59 Å²	59	81.4 Å²	81.4	27%	0.273	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	37.8	-167.2	-66.3	-45.5	0	0	0	113.7	Y109 E538 C551 N555 M556	Y109-H553 AromaticContact CD1-NE2 3.99Å; Y109-H553 AromaticContact CE1-CD2 3.97Å; Y109-H553 AromaticContact CE1-NE2 3.66Å; E538-H553 HydrophobicContact CG-CB 3.8Å; E538-H553 IonicContact OE1-CD2 2.69Å; E538-H553 PolarHBondContact OE1-CD2 3.21Å; C551-H553 PolarHBondContact O-N 3.03Å; C551-H553 VanDerWaalsContact O-N 3.16Å; H553-N555 VanDerWaalsContact C-N 3.26Å; H553-N555 PolarHBondContact O-N 2.86Å; H553-M556 HydrophobicContact CB-CE 3.47Å; H553-M556 VanDerWaalsContact CB-CE 3.47Å
554	E	55.2	Low	80.7	Confident	89 Å²	89	87.5 Å²	87.5	42%	0.416	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.6	-176.5	-65.2	-168.1	143.6	0	0	115.3	R533 C551	R533-E554 IonicContact NH1-OE1 3.31Å; R533-E554 PolarHBondContact NH1-OE1 2.79Å; C551-E554 HydrophobicContact CB-CG 3.62Å; C551-E554 PolarHBondContact N-OE1 3.26Å
555	N	45	Very low	79.3	Confident	166 Å²	166	88.8 Å²	88.8	89%	0.888	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	35.4	-172.9	-74.2	-23.1	0	0	0	114.7	H553	H553-N555 VanDerWaalsContact C-N 3.26Å; H553-N555 PolarHBondContact O-N 2.86Å
556	M	40.6	Very low	77.5	Confident	138 Å²	138	89.8 Å²	89.8	68%	0.68	49%	0.489	S	S	*	.			trans	-107.3	0	178.9	-74.7	-163.2	-88.5	0	0	115	F108 H553	F108-M556 HydrophobicContact CB-CE 4.43Å; F108-M556 VanDerWaalsContact O-CE 3.24Å; F108-M556 WeakPolarHBondContact O-CE 3.06Å; H553-M556 HydrophobicContact CB-CE 3.47Å; H553-M556 VanDerWaalsContact CB-CE 3.47Å

Retrieved 556 of 556 residues in 1841.8 ms (Link to these results)

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