A0A024RAJ6_HUMAN Loading...

Beta-hexosaminidase

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. The isozyme B does not hydrolyze each of these substrates, however hydrolyzes efficiently neutral oligosaccharide. Only the isozyme A is responsible for the degradation of GM2 gangliosides in the presence of GM2A. 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.

AlphaFold DB (P07686), UniProt , Accession A0A024RAJ6, Species HUMAN (Homo sapiens, Human), Gene HEXB, Length 556 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	44.1	Very low	237 Å²	237	146.7 Å²	146.7	100%	1.167	83%	0.833	S	S	*	*				0	113.8	0	-86.9	168.3	164.9	0	0	107.5
2	E	41.6	Very low	45.5	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	82%	0.817	S	S	*	*			trans	33.6	110	148.2	-67.4	171	148.6	0	0	118.8
3	L	40.2	Very low	47.1	Very low	161 Å²	161	142.9 Å²	142.9	84%	0.843	81%	0.809	S	S	*	*				67.9	107.2	90.6	-77.1	168.4	0	0	0	113.6
4	C	42.7	Very low	48.9	Very low	135 Å²	135	141.7 Å²	141.7	91%	0.912	80%	0.798	S	S	*	*				178.6	122.6	117.1	-113.2	0	0	0	0	110.6
5	G	40.3	Very low	50.7	Low	72 Å²	72	139.8 Å²	139.8	74%	0.742	79%	0.785	S	S	*	*			trans	-83.7	163.1	177	0	0	0	0	0	113.2
6	L	45	Very low	52.2	Low	187 Å²	187	134.5 Å²	134.5	98%	0.979	76%	0.764	S	S	*	*			trans	-144.6	141.4	158.4	-87.9	170.3	0	0	0	109.9
7	G	42.5	Very low	53.7	Low	71 Å²	71	133.2 Å²	133.2	73%	0.732	75%	0.754	S	S	*	*			trans	-56.6	148	-164	0	0	0	0	0	118.4
8	L	39.7	Very low	55.1	Low	158 Å²	158	131 Å²	131	83%	0.827	74%	0.739	S	S	*	*			trans	-53.3	154.3	153	-77	151.7	0	0	0	111
9	P	49.2	Very low	56.5	Low	114 Å²	114	129.3 Å²	129.3	74%	0.74	73%	0.727	S	S	*	*				-125.3	132.6	120.3	33.1	-25.6	0	0	0	111.2	P11	P9-P11 VanDerWaalsContact O-CD 3.25Å; P9-P11 WeakPolarHBondContact O-CD 3.25Å
10	R	51	Low	57.7	Low	213 Å²	213	125.8 Å²	125.8	80%	0.804	72%	0.716	S	S	*	*			trans	-58.4	128.3	166.9	-64	169.5	172	177.9	-3.9	108.9
11	P	52.8	Low	58.9	Low	93 Å²	93	123.8 Å²	123.8	60%	0.604	71%	0.706	S	S	*	*				-146	47.8	129.9	41.7	-26.1	0	0	0	115.3	P9 M13	P9-P11 VanDerWaalsContact O-CD 3.25Å; P9-P11 WeakPolarHBondContact O-CD 3.25Å; P11-M13 VanDerWaalsContact C-N 3.32Å
12	P	61.1	Low	60.9	Low	100 Å²	100	117.3 Å²	117.3	65%	0.649	68%	0.675	S	S	*	*	H	α-helix	trans	-76.8	-23.8	163.4	28.9	-30.7	0	0	0	111.9	A16	P12-A16 WeakPolarHBondContact O-CB 3.25Å; P12-A16 PolarHBondContact O-N 3.05Å; P12-A16 VanDerWaalsContact O-N 3.16Å
13	M	66.7	Low	62.9	Low	144 Å²	144	114.1 Å²	114.1	71%	0.709	66%	0.664	S	S	*	*	H	α-helix	trans	-74.9	-33.7	-174.9	-139.3	174	-177.2	0	0	112.8	P11 L17	P11-M13 VanDerWaalsContact C-N 3.32Å; M13-L17 HydrophobicContact CG-CD1 4.47Å; M13-L17 VanDerWaalsContact O-CD1 3.25Å; M13-L17 WeakPolarHBondContact O-CD1 3.44Å; M13-L17 PolarHBondContact O-N 3.16Å
14	L	72.3	Confident	65	Low	126 Å²	126	109.4 Å²	109.4	66%	0.66	65%	0.648	S	S	*	*	H	α-helix	trans	-70.6	-40	178.7	-142.1	85.1	0	0	0	111.5	L17 L18	L14-L17 PolarHBondContact O-N 3.5Å; L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 2.9Å
15	L	75.5	Confident	66.9	Low	113 Å²	113	105.8 Å²	105.8	59%	0.592	63%	0.627	S	S	*	*	H	α-helix	trans	-68.3	-39.8	177.6	-161.8	75.9	0	0	0	111.5	L18 L19	L15-L18 PolarHBondContact O-N 3.3Å; L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 3.11Å
16	A	74.3	Confident	69	Low	55 Å²	55	108.2 Å²	108.2	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-63.8	-41.6	174.8	0	0	0	0	0	112.2	P12 L19 A20	P12-A16 WeakPolarHBondContact O-CB 3.25Å; P12-A16 PolarHBondContact O-N 3.05Å; P12-A16 VanDerWaalsContact O-N 3.16Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-A20 WeakPolarHBondContact O-CB 3.5Å; A16-A20 PolarHBondContact O-N 2.97Å
17	L	77.9	Confident	70.8	Confident	113 Å²	113	104.5 Å²	104.5	59%	0.592	60%	0.601	S	S	*	*	H	α-helix	trans	-63.3	-43.8	173.6	-100.6	94.5	0	0	0	111.9	M13 L14 A20 T21	M13-L17 HydrophobicContact CG-CD1 4.47Å; M13-L17 VanDerWaalsContact O-CD1 3.25Å; M13-L17 WeakPolarHBondContact O-CD1 3.44Å; M13-L17 PolarHBondContact O-N 3.16Å; L14-L17 PolarHBondContact O-N 3.5Å; L17-A20 PolarHBondContact O-N 2.94Å; L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 2.99Å; L17-T21 VanDerWaalsContact O-OG1 3.11Å
18	L	79.6	Confident	72.6	Confident	93 Å²	93	103.4 Å²	103.4	49%	0.487	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-46.2	177.4	-82.2	158.6	0	0	0	111.8	L14 L15 T21 L22	L14-L18 WeakPolarHBondContact O-CD1 3.43Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 3.3Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.49Å; L18-T21 PolarHBondContact O-OG1 3.46Å; L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 PolarHBondContact O-N 2.92Å
19	L	81	Confident	74.5	Confident	98 Å²	98	101.3 Å²	101.3	51%	0.513	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-43.7	175.5	-83.3	158.4	0	0	0	112.2	L15 A16 T21 L22 L23	L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 PolarHBondContact O-N 3.11Å; A16-L19 PolarHBondContact O-N 3.44Å; L19-T21 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 PolarHBondContact O-N 2.75Å
20	A	80.4	Confident	76.1	Confident	60 Å²	60	101.6 Å²	101.6	50%	0.496	57%	0.569	S	S	.	*	H	α-helix	trans	-62.9	-40.6	176.4	0	0	0	0	0	112.1	A16 L17 L23 A24	A16-A20 WeakPolarHBondContact O-CB 3.5Å; A16-A20 PolarHBondContact O-N 2.97Å; L17-A20 PolarHBondContact O-N 2.94Å; A20-L23 PolarHBondContact O-N 3.31Å; A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 2.92Å
21	T	82.9	Confident	77.3	Confident	84 Å²	84	95.6 Å²	95.6	52%	0.515	56%	0.556	S	S	.	*	H	α-helix	trans	-67.6	-37.1	175.5	51.9	0	0	0	0	112.9	L17 L18 L19 A24 A25	L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 3.35Å; L17-T21 PolarHBondContact O-OG1 2.99Å; L17-T21 VanDerWaalsContact O-OG1 3.11Å; L18-T21 WeakPolarHBondContact CA-OG1 3.46Å; L18-T21 PolarHBondContact O-N 3.49Å; L18-T21 PolarHBondContact O-OG1 3.46Å; L19-T21 PolarHBondContact O-N 3.31Å; T21-A24 PolarHBondContact O-N 2.93Å; T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.49Å; T21-A25 PolarHBondContact O-N 3.49Å
22	L	83.2	Confident	78.1	Confident	100 Å²	100	97.2 Å²	97.2	52%	0.524	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-44	174.2	-91.4	150.6	0	0	0	111.6	L18 L19 A25 M26	L18-L22 WeakPolarHBondContact O-CB 3.36Å; L18-L22 PolarHBondContact O-N 2.92Å; L19-L22 PolarHBondContact O-N 3.01Å; L22-A25 PolarHBondContact O-N 2.89Å; L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.13Å
23	L	83.2	Confident	78.8	Confident	107 Å²	107	96.4 Å²	96.4	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-62.8	-44.2	175	-102.8	134.1	0	0	0	112.1	L19 A20 M26 L27	L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 PolarHBondContact O-N 2.75Å; A20-L23 PolarHBondContact O-N 3.31Å; L23-M26 PolarHBondContact O-N 2.91Å; L23-L27 PolarHBondContact O-N 3.37Å
24	A	83.3	Confident	79.2	Confident	62 Å²	62	92 Å²	92	51%	0.512	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.1	0	0	0	0	0	112	A20 T21 L27 A28	A20-A24 WeakPolarHBondContact O-CB 3.36Å; A20-A24 PolarHBondContact O-N 2.92Å; T21-A24 PolarHBondContact O-N 2.93Å; A24-L27 PolarHBondContact O-N 2.88Å; A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 3.42Å
25	A	82.9	Confident	79	Confident	58 Å²	58	91.2 Å²	91.2	48%	0.479	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-40.2	175.2	0	0	0	0	0	112	T21 L22 A28 L29	T21-A25 VanDerWaalsContact O-CB 3.3Å; T21-A25 WeakPolarHBondContact O-CB 3.49Å; T21-A25 PolarHBondContact O-N 3.49Å; L22-A25 PolarHBondContact O-N 2.89Å; A25-A28 PolarHBondContact O-N 2.76Å; A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 PolarHBondContact O-N 3.26Å
26	M	84.6	Confident	78.7	Confident	124 Å²	124	90.5 Å²	90.5	61%	0.611	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-42.6	174.2	-77.4	-169.9	171.3	0	0	112.1	L22 L23 L29 L30	L22-M26 WeakPolarHBondContact O-CB 3.38Å; L22-M26 WeakPolarHBondContact O-CG 3.3Å; L22-M26 PolarHBondContact O-N 3.13Å; L23-M26 PolarHBondContact O-N 2.91Å; M26-L29 PolarHBondContact O-N 3.21Å; M26-L30 WeakPolarHBondContact O-CB 3.3Å; M26-L30 VanDerWaalsContact O-CG 3.29Å; M26-L30 WeakPolarHBondContact O-CG 3.37Å; M26-L30 PolarHBondContact O-N 3.43Å
27	L	82.7	Confident	78.5	Confident	108 Å²	108	91.1 Å²	91.1	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-61	-45.7	173.3	-108.8	90.6	0	0	0	111.3	L23 A24 L29 L30 T31	L23-L27 PolarHBondContact O-N 3.37Å; A24-L27 PolarHBondContact O-N 2.88Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 2.88Å; L27-T31 WeakPolarHBondContact O-CG2 3.18Å; L27-T31 PolarHBondContact O-N 2.85Å; L27-T31 PolarHBondContact O-OG1 2.88Å
28	A	80.3	Confident	77.8	Confident	48 Å²	48	89.3 Å²	89.3	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-60.3	-43	177.3	0	0	0	0	0	111.4	A24 A25 T31 Q32	A24-A28 WeakPolarHBondContact O-CB 3.41Å; A24-A28 PolarHBondContact O-N 3.42Å; A25-A28 PolarHBondContact O-N 2.76Å; A28-T31 WeakPolarHBondContact CA-OG1 3.37Å; A28-T31 PolarHBondContact O-N 3.35Å; A28-T31 PolarHBondContact O-OG1 3.39Å; A28-Q32 WeakPolarHBondContact O-CG 3.49Å; A28-Q32 PolarHBondContact O-N 2.85Å
29	L	79.7	Confident	77.2	Confident	114 Å²	114	89.2 Å²	89.2	60%	0.597	52%	0.521	S	S	*	.	H	α-helix	trans	-64.1	-44	176.3	-147.2	84.5	0	0	0	111.6	A25 M26 L27 T31 Q32 V33	A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 PolarHBondContact O-N 3.26Å; M26-L29 PolarHBondContact O-N 3.21Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 3.33Å; L29-T31 PolarHBondContact O-N 2.94Å; L29-Q32 PolarHBondContact O-N 3.39Å; L29-V33 WeakPolarHBondContact O-CB 3.5Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.37Å
30	L	82	Confident	76.2	Confident	120 Å²	120	86.7 Å²	86.7	63%	0.628	51%	0.514	S	S	*	.	H	α-helix	trans	-61.9	-42.1	175.7	-74.6	166.3	0	0	0	111.6	M26 L27 V33 A34	M26-L30 WeakPolarHBondContact O-CB 3.3Å; M26-L30 VanDerWaalsContact O-CG 3.29Å; M26-L30 WeakPolarHBondContact O-CG 3.37Å; M26-L30 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 2.88Å; L30-V33 PolarHBondContact O-N 2.88Å; L30-A34 WeakPolarHBondContact O-CB 3.44Å; L30-A34 PolarHBondContact O-N 3.44Å
31	T	76.5	Confident	75.2	Confident	87 Å²	87	88.3 Å²	88.3	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-39.4	175.4	57.4	0	0	0	0	112.2	L27 A28 L29 A34 L35	L27-T31 WeakPolarHBondContact O-CG2 3.18Å; L27-T31 PolarHBondContact O-N 2.85Å; L27-T31 PolarHBondContact O-OG1 2.88Å; A28-T31 WeakPolarHBondContact CA-OG1 3.37Å; A28-T31 PolarHBondContact O-N 3.35Å; A28-T31 PolarHBondContact O-OG1 3.39Å; L29-T31 PolarHBondContact O-N 2.94Å; T31-A34 PolarHBondContact O-N 2.74Å; T31-L35 WeakPolarHBondContact O-CB 3.4Å; T31-L35 PolarHBondContact O-N 3.35Å
32	Q	70.2	Confident	74	Confident	127 Å²	127	86.7 Å²	86.7	59%	0.593	51%	0.507	S	S	*	.	H	α-helix	trans	-65.9	-42	174.7	-79.9	-174.4	-8	0	0	111.8	A28 L29 L35 V36	A28-Q32 WeakPolarHBondContact O-CG 3.49Å; A28-Q32 PolarHBondContact O-N 2.85Å; L29-Q32 PolarHBondContact O-N 3.39Å; Q32-L35 PolarHBondContact O-N 3.28Å; Q32-V36 WeakPolarHBondContact O-CB 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.43Å; Q32-V36 PolarHBondContact O-N 3.14Å
33	V	76.3	Confident	72.5	Confident	83 Å²	83	86.1 Å²	86.1	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-63.7	-44.4	175.7	172.6	0	0	0	0	110.3	L29 L30 L35 V36 V37	L29-V33 WeakPolarHBondContact O-CB 3.5Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 3.37Å; L30-V33 PolarHBondContact O-N 2.88Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 2.88Å; V33-V36 PolarHBondContact O-N 2.92Å; V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CB 3.44Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.43Å
34	A	73.5	Confident	71	Confident	52 Å²	52	91 Å²	91	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-42.4	175	0	0	0	0	0	111.9	L30 T31 V37 Q38	L30-A34 WeakPolarHBondContact O-CB 3.44Å; L30-A34 PolarHBondContact O-N 3.44Å; T31-A34 PolarHBondContact O-N 2.74Å; A34-V37 PolarHBondContact O-N 3.28Å; A34-Q38 WeakPolarHBondContact O-CB 3.39Å; A34-Q38 WeakPolarHBondContact O-CG 3.41Å; A34-Q38 PolarHBondContact O-N 3.34Å
35	L	69.3	Low	69.2	Low	110 Å²	110	89.9 Å²	89.9	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-43.1	176.9	-145.6	91.2	0	0	0	111.6	T31 Q32 V33 V37 Q38 V39	T31-L35 WeakPolarHBondContact O-CB 3.4Å; T31-L35 PolarHBondContact O-N 3.35Å; Q32-L35 PolarHBondContact O-N 3.28Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 2.88Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-Q38 PolarHBondContact O-N 2.76Å; L35-V39 WeakPolarHBondContact O-CB 3.43Å; L35-V39 WeakPolarHBondContact O-CG2 3.07Å; L35-V39 PolarHBondContact O-N 2.61Å
36	V	69.1	Low	67.3	Low	98 Å²	98	90.6 Å²	90.6	59%	0.594	52%	0.517	S	S	*	.	H	α-helix	trans	-65.9	-38.6	177.7	170.8	0	0	0	0	110.8	Q32 V33 V39 A40	Q32-V36 WeakPolarHBondContact O-CB 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.43Å; Q32-V36 PolarHBondContact O-N 3.14Å; V33-V36 PolarHBondContact O-N 2.92Å; V36-V39 PolarHBondContact O-N 3.22Å; V36-A40 WeakPolarHBondContact O-CB 3.08Å; V36-A40 PolarHBondContact O-N 2.94Å
37	V	69.3	Low	65.1	Low	68 Å²	68	90.6 Å²	90.6	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-45.9	173.6	171.6	0	0	0	0	110.4	V33 A34 L35 V39 A40 E41	V33-V37 HydrophobicContact CG1-CG2 4.33Å; V33-V37 WeakPolarHBondContact O-CB 3.44Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.43Å; A34-V37 PolarHBondContact O-N 3.28Å; L35-V37 VanDerWaalsContact C-N 3.35Å; V37-V39 PolarHBondContact O-N 3.48Å; V37-A40 PolarHBondContact O-N 3.4Å; V37-E41 HydrophobicContact CG1-CG 4.4Å; V37-E41 WeakPolarHBondContact O-CB 3.3Å; V37-E41 WeakPolarHBondContact O-CG 3.49Å; V37-E41 PolarHBondContact O-N 3.29Å
38	Q	64.9	Low	63.1	Low	75 Å²	75	88.6 Å²	88.6	35%	0.35	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-42.6	175.2	-79.2	177.6	-33.4	0	0	112.4	A34 L35 A42 Y456	A34-Q38 WeakPolarHBondContact O-CB 3.39Å; A34-Q38 WeakPolarHBondContact O-CG 3.41Å; A34-Q38 PolarHBondContact O-N 3.34Å; L35-Q38 PolarHBondContact O-N 2.76Å; Q38-A42 VanDerWaalsContact O-CB 3.25Å; Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.32Å; Q38-Y456 PolarHBondContact NE2-OH 3.24Å
39	V	65.5	Low	61.2	Low	90 Å²	90	91.2 Å²	91.2	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-69.8	-38.3	177.9	174.6	0	0	0	0	111.1	L35 V36 V37 A42 A43	L35-V39 WeakPolarHBondContact O-CB 3.43Å; L35-V39 WeakPolarHBondContact O-CG2 3.07Å; L35-V39 PolarHBondContact O-N 2.61Å; V36-V39 PolarHBondContact O-N 3.22Å; V37-V39 PolarHBondContact O-N 3.48Å; V39-A42 PolarHBondContact O-N 3.3Å; V39-A43 VanDerWaalsContact O-CB 3.26Å; V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.09Å
40	A	61.6	Low	59.8	Low	46 Å²	46	88.5 Å²	88.5	38%	0.38	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-36.9	176.1	0	0	0	0	0	112.1	V36 V37 R44	V36-A40 WeakPolarHBondContact O-CB 3.08Å; V36-A40 PolarHBondContact O-N 2.94Å; V37-A40 PolarHBondContact O-N 3.4Å; A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 WeakPolarHBondContact O-CG 3.46Å; A40-R44 PolarHBondContact O-N 3.2Å
41	E	59.3	Low	58.4	Low	94 Å²	94	91.3 Å²	91.3	44%	0.439	54%	0.539	S	S	.	.	H	α-helix	trans	-69.2	-39.2	172.6	-76.1	179.5	162.1	0	0	111.5	V37 R44 A45	V37-E41 HydrophobicContact CG1-CG 4.4Å; V37-E41 WeakPolarHBondContact O-CB 3.3Å; V37-E41 WeakPolarHBondContact O-CG 3.49Å; V37-E41 PolarHBondContact O-N 3.29Å; E41-R44 CarbonylContact O-C 3.36Å; E41-R44 PolarHBondContact O-N 3.41Å; E41-A45 PolarHBondContact O-N 3.42Å
42	A	56.5	Low	57.8	Low	50 Å²	50	91.3 Å²	91.3	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-66.5	-38.4	173.2	0	0	0	0	0	112.9	Q38 V39 R44 A45 Y547	Q38-A42 VanDerWaalsContact O-CB 3.25Å; Q38-A42 WeakPolarHBondContact O-CB 3.38Å; Q38-A42 PolarHBondContact O-N 3.32Å; V39-A42 PolarHBondContact O-N 3.3Å; A42-R44 VanDerWaalsContact C-N 3.26Å; A42-R44 PolarHBondContact O-N 3.27Å; A42-A45 WeakPolarHBondContact O-CB 3.37Å; A42-A45 PolarHBondContact O-N 3.45Å; A42-Y547 VanDerWaalsContact CA-OH 3.23Å; A42-Y547 WeakPolarHBondContact CA-OH 3.25Å
43	A	52.1	Low	58.2	Low	87 Å²	87	85.7 Å²	85.7	72%	0.719	52%	0.516	S	S	*	.	H	α-helix	trans	-71	-22.8	174.6	0	0	0	0	0	112.8	V39	V39-A43 VanDerWaalsContact O-CB 3.26Å; V39-A43 WeakPolarHBondContact O-CB 3.36Å; V39-A43 PolarHBondContact O-N 3.09Å
44	R	50.8	Low	58.7	Low	211 Å²	211	83.1 Å²	83.1	80%	0.796	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.6	171.9	-78.6	179.5	179.8	-176.7	0.5	113.6	A40 E41 A42 P46	A40-R44 WeakPolarHBondContact O-CB 3.49Å; A40-R44 WeakPolarHBondContact O-CG 3.46Å; A40-R44 PolarHBondContact O-N 3.2Å; E41-R44 CarbonylContact O-C 3.36Å; E41-R44 PolarHBondContact O-N 3.41Å; A42-R44 VanDerWaalsContact C-N 3.26Å; A42-R44 PolarHBondContact O-N 3.27Å; R44-P46 WeakPolarHBondContact O-CD 3.49Å
45	A	46.3	Very low	59.5	Low	37 Å²	37	80.7 Å²	80.7	31%	0.306	48%	0.481	S	S	.	.			trans	-60.7	110	175.8	0	0	0	0	0	107.8	E41 A42 S47 Y547	E41-A45 PolarHBondContact O-N 3.42Å; A42-A45 WeakPolarHBondContact O-CB 3.37Å; A42-A45 PolarHBondContact O-N 3.45Å; A45-S47 PolarHBondContact O-N 3.47Å; A45-S47 VanDerWaalsContact O-N 3.14Å; A45-Y547 HydrophobicContact CB-CD1 4.06Å; A45-Y547 HydrophobicContact CB-CE1 3.42Å; A45-Y547 VanDerWaalsContact CB-CE1 3.42Å
46	P	43.6	Very low	60.9	Low	73 Å²	73	76 Å²	76	47%	0.474	46%	0.457	S	S	.	.			trans	-62.9	126.5	175.9	26.3	-28.4	0	0	0	106.2	R44 V48 Y526	R44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-V48 HydrophobicContact CB-CG2 3.55Å; P46-V48 HydrophobicContact CG-CG2 3.65Å; P46-V48 PolarHBondContact O-N 3.46Å; P46-Y526 HydrophobicContact CG-CD1 4.5Å; P46-Y526 HydrophobicContact CG-CE1 4.1Å
47	S	37.9	Very low	62.3	Low	125 Å²	125	71.3 Å²	71.3	87%	0.874	43%	0.428	S	S	*	.			trans	-68.2	72.3	167.3	59.7	0	0	0	0	107.4	A45 S49	A45-S47 PolarHBondContact O-N 3.47Å; A45-S47 VanDerWaalsContact O-N 3.14Å; S47-S49 VanDerWaalsContact C-N 3.27Å; S47-S49 PolarHBondContact O-N 2.83Å
48	V	40.9	Very low	63.7	Low	65 Å²	65	68 Å²	68	39%	0.394	41%	0.409	S	S	.	.			trans	-79.5	86.4	179.5	-173.8	0	0	0	0	106.6	P46 A50	P46-V48 HydrophobicContact CB-CG2 3.55Å; P46-V48 HydrophobicContact CG-CG2 3.65Å; P46-V48 PolarHBondContact O-N 3.46Å; V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.49Å
49	S	40.6	Very low	65.4	Low	103 Å²	103	66.5 Å²	66.5	72%	0.72	40%	0.402	S	S	*	.			trans	-57.2	103.2	145.9	161.9	0	0	0	0	106	S47 K51	S47-S49 VanDerWaalsContact C-N 3.27Å; S47-S49 PolarHBondContact O-N 2.83Å; S49-K51 PolarHBondContact O-N 3.04Å
50	A	50.2	Low	66.9	Low	58 Å²	58	62.5 Å²	62.5	48%	0.479	38%	0.378	S	S	.	.			trans	-55.2	104.9	179.7	0	0	0	0	0	109.2	V48	V48-A50 VanDerWaalsContact C-N 3.28Å; V48-A50 PolarHBondContact O-N 3.49Å
51	K	53.3	Low	68.7	Low	179 Å²	179	64.5 Å²	64.5	78%	0.778	38%	0.382	S	S	*	.			trans	-57.7	131.1	170	-79.6	-175.6	177.8	177.6	0	107.6	S49 G53	S49-K51 PolarHBondContact O-N 3.04Å; K51-G53 PolarHBondContact O-N 2.93Å
52	P	63.2	Low	70.6	Confident	86 Å²	86	62 Å²	62	56%	0.558	38%	0.375	S	S	*	.	S	Bend	trans	-56.1	138.6	172.2	-17.9	28	0	0	0	109.6	Y180	P52-Y180 HydrophobicContact CB-CD2 4.28Å; P52-Y180 HydrophobicContact CB-CE2 4.43Å
53	G	77.5	Confident	72.6	Confident	10 Å²	10	62 Å²	62	10%	0.103	37%	0.37	C	S	.	.	S	Bend	trans	168.5	-171.3	-179.2	0	0	0	0	0	111.3	K51 Y180 R531	K51-G53 PolarHBondContact O-N 2.93Å; G53-Y180 VanDerWaalsContact C-CD1 3.48Å; G53-Y180 WeakPolarHBondContact O-CB 3.27Å; G53-R531 VanDerWaalsContact C-NH2 3.29Å; G53-R531 PolarHBondContact O-NH2 3.35Å
54	P	87.1	Confident	74.7	Confident	28 Å²	28	64.7 Å²	64.7	18%	0.182	37%	0.365	C	S	.	.			trans	-81.6	149.7	171.8	31.4	-33.5	0	0	0	111.5	M65 L178 R531	P54-M65 HydrophobicContact CG-CE 4.23Å; P54-M65 HydrophobicContact CG-SD 3.65Å; P54-L178 HydrophobicContact CB-CD2 3.91Å; P54-L178 HydrophobicContact CG-CD2 4.46Å; P54-R531 PolarHBondContact O-NH1 3Å
55	A	91.5	Very high	76.9	Confident	2 Å²	2	59.2 Å²	59.2	2%	0.017	35%	0.35	C	S	.	.			trans	-125.8	85.2	173.9	0	0	0	0	0	109.6	Q177 R531 R535	A55-Q177 PolarHBondContact N-O 2.05Å; A55-R531 HydrophobicContact CB-CB 3.43Å; A55-R531 VanDerWaalsContact CB-CB 3.43Å; A55-R531 HydrophobicContact CB-CG 4.45Å; A55-R535 VanDerWaalsContact O-CZ 3.3Å; A55-R535 PolarHBondContact O-NH1 3Å; A55-R535 PolarHBondContact O-NH2 3.25Å
56	L	98.4	Very high	79.3	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.052	35%	0.349	C	S	.	.			trans	-76.4	125	-177.1	-64.6	177.2	0	0	0	110.8	L59 P60 V63 T174 Q177 L178 I194 R528	L56-L59 HydrophobicContact CB-CD1 4.17Å; L56-L59 HydrophobicContact CD1-CD1 4.45Å; L56-P60 HydrophobicContact CD1-CG 4.18Å; L56-V63 HydrophobicContact CD1-CG1 4.18Å; L56-V63 HydrophobicContact CD1-CG2 3.96Å; L56-T174 HydrophobicContact CD2-CG2 4.02Å; L56-Q177 HydrophobicContact CD2-CB 3.96Å; L56-L178 HydrophobicContact CD1-CD2 4.23Å; L56-L178 HydrophobicContact CD2-CD2 3.79Å; L56-L178 HydrophobicContact CD2-CG 4.14Å; L56-L178 HydrophobicContact CG-CD2 4.29Å; L56-I194 HydrophobicContact CD1-CD1 4.35Å; L56-R528 WeakPolarHBondContact O-CD 3.35Å; L56-R528 PolarHBondContact O-NH1 2.78Å
57	W	98.8	Very high	81.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-150.2	123.8	174.3	-166.8	-81.4	0	0	0	111.2	Q177 Y464 S507 E511 A525 R528 L529 H532	W57-Q177 PolarHBondContact O-NE2 2.85Å; W57-Q177 PolarHBondContact O-OE1 3.49Å; W57-Y464 HydrophobicContact CH2-CD2 4.09Å; W57-Y464 AromaticContact CH2-CE2 3.74Å; W57-Y464 HydrophobicContact CH2-CE2 3.74Å; W57-Y464 HydrophobicContact CZ2-CE2 4.33Å; W57-S507 VanDerWaalsContact CE2-O 3.31Å; W57-S507 WeakPolarHBondContact CZ2-O 3.4Å; W57-S507 PolarHBondContact NE1-O 3.43Å; W57-E511 HydrophobicContact CD2-CB 4.39Å; W57-E511 HydrophobicContact CH2-CB 3.98Å; W57-E511 HydrophobicContact CH2-CG 4.39Å; W57-E511 HydrophobicContact CZ2-CB 3.41Å; W57-E511 VanDerWaalsContact CZ2-CB 3.41Å; W57-E511 HydrophobicContact CZ2-CG 4.28Å; W57-A525 HydrophobicContact CZ3-CB 4.39Å; W57-R528 HydrophobicContact CE3-CB 4.19Å; W57-R528 VanDerWaalsContact CE3-NH1 3.31Å; W57-L529 HydrophobicContact CD2-CD1 3.79Å; W57-L529 HydrophobicContact CE3-CB 3.88Å; W57-L529 HydrophobicContact CE3-CD1 4Å; W57-L529 HydrophobicContact CE3-CG 4.47Å; W57-L529 HydrophobicContact CG-CD1 4.4Å; W57-L529 HydrophobicContact CH2-CB 3.97Å; W57-L529 HydrophobicContact CH2-CD1 4.03Å; W57-L529 HydrophobicContact CH2-CD2 3.85Å; W57-L529 HydrophobicContact CH2-CG 4.16Å; W57-L529 HydrophobicContact CZ2-CD1 3.81Å; W57-L529 HydrophobicContact CZ2-CD2 4.1Å; W57-L529 HydrophobicContact CZ2-CG 4.39Å; W57-L529 HydrophobicContact CZ3-CB 3.58Å; W57-L529 HydrophobicContact CZ3-CD1 4.13Å; W57-L529 HydrophobicContact CZ3-CD2 4.35Å; W57-L529 HydrophobicContact CZ3-CG 4.21Å; W57-H532 HydrophobicContact CB-CB 3.81Å; W57-H532 AromaticContact CD1-CD2 3.43Å; W57-H532 VanDerWaalsContact CD1-CD2 3.43Å; W57-H532 AromaticContact CD1-NE2 3.74Å; W57-H532 HydrophobicContact CG-CB 4.24Å; W57-H532 AromaticContact CG-CD2 3.56Å; W57-H532 AromaticContact CG-CG 3.93Å
58	P	98.8	Very high	84.4	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.343	C	S	.	.	S	Bend	cis	-55	154.9	-17	-28.9	38.9	0	0	0	113.6	P60 K230 E511 W514	P58-P60 WeakPolarHBondContact O-CD 3.21Å; P58-K230 HydrophobicContact CG-CB 4.43Å; P58-E511 WeakPolarHBondContact CA-OE2 3.37Å; P58-E511 HydrophobicContact CB-CB 4.2Å; P58-E511 HydrophobicContact CB-CG 4.33Å; P58-E511 HydrophobicContact CG-CB 4.5Å; P58-W514 HydrophobicContact CB-CB 3.69Å; P58-W514 HydrophobicContact CB-CG 3.71Å; P58-W514 HydrophobicContact CG-CB 3.71Å; P58-W514 HydrophobicContact CG-CG 3.94Å
59	L	98.7	Very high	87	Confident	42 Å²	42	60.9 Å²	60.9	22%	0.22	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.4	124.2	172.7	-168.1	67.5	0	0	0	110.9	L56 E511 S515 V519	L56-L59 HydrophobicContact CB-CD1 4.17Å; L56-L59 HydrophobicContact CD1-CD1 4.45Å; L59-E511 PolarHBondContact N-OE2 3.47Å; L59-S515 PolarHBondContact N-OG 3.28Å; L59-S515 WeakPolarHBondContact O-CB 3.27Å; L59-S515 PolarHBondContact O-OG 3.12Å; L59-V519 HydrophobicContact CB-CG1 4.18Å; L59-V519 HydrophobicContact CD2-CG1 3.87Å; L59-V519 HydrophobicContact CD2-CG2 4.08Å
60	P	98.7	Very high	89.6	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.039	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.2	156.4	178.7	-26.2	36	0	0	0	114.1	L56 P58 S62 V63 T174 I194 D196	L56-P60 HydrophobicContact CD1-CG 4.18Å; P58-P60 WeakPolarHBondContact O-CD 3.21Å; P60-S62 VanDerWaalsContact C-N 3.3Å; P60-S62 PolarHBondContact O-N 3.28Å; P60-V63 HydrophobicContact CB-CG2 3.71Å; P60-V63 HydrophobicContact CG-CG2 3.81Å; P60-T174 HydrophobicContact CG-CG2 4.17Å; P60-I194 HydrophobicContact CB-CG2 3.59Å; P60-I194 HydrophobicContact CG-CD1 4.42Å; P60-I194 HydrophobicContact CG-CG2 3.9Å; P60-D196 VanDerWaalsContact CA-OD1 3.26Å; P60-D196 WeakPolarHBondContact CA-OD1 3.34Å; P60-D196 HydrophobicContact CB-CB 3.93Å; P60-D196 VanDerWaalsContact CB-CG 3.49Å
61	L	98.5	Very high	91.7	Very high	88 Å²	88	55.4 Å²	55.4	46%	0.461	30%	0.299	S	S	.	.	S	Bend	trans	-53.1	-42.8	177	175	60.9	0	0	0	113.4	D196 S516	L61-D196 PolarHBondContact N-OD1 2.93Å; L61-S516 WeakPolarHBondContact CD1-OG 3.14Å
62	S	98.6	Very high	93.6	Very high	42 Å²	42	47 Å²	47	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	122.6	177	166	0	0	0	0	110.7	P60 I194 I195	P60-S62 VanDerWaalsContact C-N 3.3Å; P60-S62 PolarHBondContact O-N 3.28Å; S62-I194 VanDerWaalsContact O-CA 3.32Å; S62-I194 WeakPolarHBondContact O-CA 3.42Å; S62-I195 PolarHBondContact N-O 2.88Å; S62-I195 PolarHBondContact O-N 3.43Å
63	V	98.3	Very high	95	Very high	49 Å²	49	43.4 Å²	43.4	30%	0.297	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.9	177	-178.6	0	0	0	0	109.6	L56 P60 M65 I194	L56-V63 HydrophobicContact CD1-CG1 4.18Å; L56-V63 HydrophobicContact CD1-CG2 3.96Å; P60-V63 HydrophobicContact CB-CG2 3.71Å; P60-V63 HydrophobicContact CG-CG2 3.81Å; V63-M65 HydrophobicContact CG1-CG 3.76Å; V63-M65 HydrophobicContact CG1-SD 4.34Å; V63-I194 HydrophobicContact CG1-CG1 4.28Å; V63-I194 HydrophobicContact CG2-CD1 4.48Å; V63-I194 HydrophobicContact CG2-CG1 4.31Å
64	K	98.1	Very high	95.6	Very high	145 Å²	145	44.4 Å²	44.4	63%	0.63	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	102.6	170.7	-63.4	-177.5	-178.5	-177.7	0	108.7	S192 T193	K64-S192 CarbonylContact O-C 3.53Å; K64-S192 WeakPolarHBondContact O-CA 3.49Å; K64-S192 WeakPolarHBondContact O-CB 3.28Å; K64-T193 PolarHBondContact N-O 3.49Å; K64-T193 PolarHBondContact O-N 3.2Å
65	M	96.1	Very high	95.6	Very high	96 Å²	96	51 Å²	51	47%	0.473	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.9	175.7	-64.9	-171.2	-61.9	0	0	110.3	P54 V63	P54-M65 HydrophobicContact CG-CE 4.23Å; P54-M65 HydrophobicContact CG-SD 3.65Å; V63-M65 HydrophobicContact CG1-CG 3.76Å; V63-M65 HydrophobicContact CG1-SD 4.34Å
66	T	96.4	Very high	95.6	Very high	46 Å²	46	56 Å²	56	28%	0.282	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	162.2	168.9	85	0	0	0	0	109.3	N68 N190 E191	T66-N68 PolarHBondContact O-N 3.34Å; T66-N68 WeakPolarHBondContact OG1-CB 3.25Å; T66-N68 PolarHBondContact OG1-N 3.36Å; T66-N68 VanDerWaalsContact OG1-N 3.12Å; T66-N190 PolarHBondContact O-ND2 3.09Å; T66-E191 PolarHBondContact N-O 2.86Å; T66-E191 WeakPolarHBondContact OG1-CB 3.23Å; T66-E191 PolarHBondContact OG1-O 2.86Å
67	P	94.4	Very high	95.5	Very high	115 Å²	115	55.7 Å²	55.7	75%	0.747	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	-2.9	172	31.9	-36	0	0	0	113	L69	P67-L69 PolarHBondContact O-N 2.89Å
68	N	94.7	Very high	95.4	Very high	88 Å²	88	61 Å²	61	47%	0.471	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.1	-178.4	-59.2	-19.2	0	0	0	109.4	T66 N190 E191	T66-N68 PolarHBondContact O-N 3.34Å; T66-N68 WeakPolarHBondContact OG1-CB 3.25Å; T66-N68 PolarHBondContact OG1-N 3.36Å; T66-N68 VanDerWaalsContact OG1-N 3.12Å; N68-N190 WeakPolarHBondContact O-CA 3.27Å; N68-E191 HydrophobicContact CB-CB 4.06Å; N68-E191 PolarHBondContact ND2-OE2 2.9Å; N68-E191 PolarHBondContact O-N 3.5Å
69	L	94.3	Very high	95.4	Very high	85 Å²	85	61.9 Å²	61.9	45%	0.445	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.5	178.2	-59	-178.1	0	0	0	109.8	P67 Y180 T188 N190	P67-L69 PolarHBondContact O-N 2.89Å; L69-Y180 WeakPolarHBondContact CD2-OH 3.27Å; L69-T188 HydrophobicContact CB-CG2 4.21Å; L69-T188 HydrophobicContact CD1-CG2 4.47Å; L69-T188 HydrophobicContact CD2-CG2 4.04Å; L69-T188 HydrophobicContact CG-CG2 4.47Å; L69-N190 WeakPolarHBondContact CD2-OD1 3.38Å
70	L	95.7	Very high	95.4	Very high	11 Å²	11	61.4 Å²	61.4	6%	0.058	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	160.6	169.9	-51.4	175.2	0	0	0	108.6	T122 V124 V153 E155 T188 I189 E191	L70-T122 CarbonylContact C-O 3.56Å; L70-T122 WeakPolarHBondContact CA-O 3.02Å; L70-V124 HydrophobicContact CB-CG2 3.85Å; L70-V124 HydrophobicContact CD1-CG2 3.65Å; L70-V124 HydrophobicContact CG-CG2 4.38Å; L70-V153 HydrophobicContact CD1-CG1 4.29Å; L70-E155 HydrophobicContact CD2-CB 4.03Å; L70-T188 CarbonylContact O-C 3.26Å; L70-T188 WeakPolarHBondContact O-CA 3.31Å; L70-I189 HydrophobicContact CB-CG2 3.89Å; L70-I189 PolarHBondContact N-O 3.05Å; L70-I189 PolarHBondContact O-N 3.14Å; L70-I189 VanDerWaalsContact O-O 3.14Å; L70-E191 HydrophobicContact CD1-CB 4.22Å
71	H	94.4	Very high	95.4	Very high	36 Å²	36	62.5 Å²	62.5	17%	0.167	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.9	-177.9	-54.4	-66.2	0	0	0	112.2	F118 T122 Q123 V124 F187 T188	H71-F118 HydrophobicContact CB-CD1 3.37Å; H71-F118 HydrophobicContact CB-CE1 3.23Å; H71-F118 HydrophobicContact CB-CG 4.32Å; H71-F118 HydrophobicContact CB-CZ 4.09Å; H71-F118 AromaticContact CD2-CD1 3.66Å; H71-F118 AromaticContact CG-CD1 3.61Å; H71-F118 AromaticContact CG-CE1 3.71Å; H71-T122 PolarHBondContact N-O 3Å; H71-Q123 WeakPolarHBondContact O-CA 3.42Å; H71-V124 PolarHBondContact O-N 3.27Å; H71-F187 VanDerWaalsContact CA-O 3.27Å; H71-F187 WeakPolarHBondContact CA-O 3.22Å; H71-T188 PolarHBondContact ND1-OG1 3.36Å
72	L	94.1	Very high	95.3	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.311	C	S	.	.			trans	-120.2	135	176.5	-59.1	86.5	0	0	0	109.3	F77 F106 V124 F175 V179 F187 I189	L72-F77 HydrophobicContact CD2-CD1 4.49Å; L72-F77 HydrophobicContact CD2-CD2 3.77Å; L72-F77 HydrophobicContact CD2-CE1 4.48Å; L72-F77 HydrophobicContact CD2-CE2 3.78Å; L72-F77 HydrophobicContact CD2-CG 4.12Å; L72-F77 HydrophobicContact CD2-CZ 4.14Å; L72-F77 HydrophobicContact CG-CD2 4.38Å; L72-F106 HydrophobicContact CB-CE1 4.14Å; L72-F106 HydrophobicContact CB-CZ 4.14Å; L72-F106 HydrophobicContact CD2-CZ 4.16Å; L72-V124 HydrophobicContact CG-CB 4.48Å; L72-F175 HydrophobicContact CD2-CE1 4.42Å; L72-F175 HydrophobicContact CD2-CZ 4.23Å; L72-V179 HydrophobicContact CD1-CG1 4.26Å; L72-V179 HydrophobicContact CD1-CG2 4.22Å; L72-V179 HydrophobicContact CD2-CG2 4.06Å; L72-F187 HydrophobicContact CB-CB 4.12Å; L72-F187 PolarHBondContact N-O 2.59Å; L72-I189 HydrophobicContact CD1-CB 3.86Å; L72-I189 HydrophobicContact CD1-CG2 3.55Å
73	A	91.5	Very high	95.3	Very high	12 Å²	12	63.3 Å²	63.3	10%	0.099	34%	0.338	C	S	.	.			trans	-99.8	118.9	172.1	0	0	0	0	0	109.1	E75 N76 F77 F118 Q123	A73-E75 PolarHBondContact O-N 2.84Å; A73-E75 VanDerWaalsContact O-N 3.13Å; A73-N76 HydrophobicContact CB-CB 4.31Å; A73-N76 PolarHBondContact O-N 2.99Å; A73-N76 VanDerWaalsContact O-N 3.1Å; A73-F77 VanDerWaalsContact O-CB 3.31Å; A73-F77 WeakPolarHBondContact O-CB 3.49Å; A73-F77 PolarHBondContact O-N 3.28Å; A73-F118 HydrophobicContact CB-CE2 3.94Å; A73-Q123 VanDerWaalsContact CB-NE2 3.26Å
74	P	90.6	Very high	95.2	Very high	31 Å²	31	66.5 Å²	66.5	20%	0.201	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.5	-177.7	-26.3	33.7	0	0	0	114.2	F106 Y109 F187	P74-F106 HydrophobicContact CB-CB 4.27Å; P74-F106 HydrophobicContact CB-CD1 3.75Å; P74-F106 HydrophobicContact CB-CE1 4.22Å; P74-F106 HydrophobicContact CB-CG 4Å; P74-F106 HydrophobicContact CG-CD1 3.66Å; P74-F106 HydrophobicContact CG-CE1 4.03Å; P74-F106 HydrophobicContact CG-CG 4.39Å; P74-Y109 HydrophobicContact CG-CD1 4.29Å; P74-Y109 HydrophobicContact CG-CE1 4.29Å; P74-Y109 HydrophobicContact CG-CG 4.46Å; P74-F187 HydrophobicContact CG-CD2 3.67Å; P74-F187 HydrophobicContact CG-CE2 3.54Å
75	E	87.8	Confident	95.2	Very high	166 Å²	166	60.6 Å²	60.6	78%	0.776	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-22.9	-176.8	-60.2	-178.3	172.5	0	0	113.3	A73	A73-E75 PolarHBondContact O-N 2.84Å; A73-E75 VanDerWaalsContact O-N 3.13Å
76	N	90.8	Very high	95.3	Very high	106 Å²	106	59.6 Å²	59.6	57%	0.567	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-6.6	-170.9	-74.5	-15.9	0	0	0	114.1	A73 Y78	A73-N76 HydrophobicContact CB-CB 4.31Å; A73-N76 PolarHBondContact O-N 2.99Å; A73-N76 VanDerWaalsContact O-N 3.1Å; N76-Y78 WeakPolarHBondContact O-CD1 3.32Å
77	F	96.3	Very high	95.3	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.022	32%	0.318	C	S	.	.			trans	-81.2	132.9	173.9	176.9	-91	0	0	0	110.5	L72 A73 I79 H102 F106 V124 Q125 L127 F175	L72-F77 HydrophobicContact CD2-CD1 4.49Å; L72-F77 HydrophobicContact CD2-CD2 3.77Å; L72-F77 HydrophobicContact CD2-CE1 4.48Å; L72-F77 HydrophobicContact CD2-CE2 3.78Å; L72-F77 HydrophobicContact CD2-CG 4.12Å; L72-F77 HydrophobicContact CD2-CZ 4.14Å; L72-F77 HydrophobicContact CG-CD2 4.38Å; A73-F77 VanDerWaalsContact O-CB 3.31Å; A73-F77 WeakPolarHBondContact O-CB 3.49Å; A73-F77 PolarHBondContact O-N 3.28Å; F77-I79 HydrophobicContact CE1-CD1 4.28Å; F77-I79 HydrophobicContact CE1-CG1 3.65Å; F77-I79 HydrophobicContact CZ-CG1 4.09Å; F77-H102 PolarHBondContact O-NE2 3.44Å; F77-F106 HydrophobicContact CB-CE2 4.27Å; F77-F106 HydrophobicContact CB-CZ 3.95Å; F77-F106 AromaticContact CD1-CE2 3.57Å; F77-F106 HydrophobicContact CD1-CE2 3.57Å; F77-F106 AromaticContact CD1-CZ 3.75Å; F77-F106 HydrophobicContact CD1-CZ 3.75Å; F77-F106 HydrophobicContact CE1-CE2 4.28Å; F77-F106 HydrophobicContact CG-CE2 4.23Å; F77-F106 HydrophobicContact CG-CZ 4Å; F77-V124 HydrophobicContact CD2-CG1 4.36Å; F77-V124 HydrophobicContact CE2-CG1 3.99Å; F77-Q125 WeakPolarHBondContact CA-O 3.42Å; F77-L127 HydrophobicContact CE2-CB 4.27Å; F77-L127 HydrophobicContact CZ-CB 3.8Å; F77-F175 HydrophobicContact CE1-CE1 4.29Å; F77-F175 HydrophobicContact CE2-CE1 4.3Å; F77-F175 AromaticContact CE2-CZ 3.96Å; F77-F175 HydrophobicContact CE2-CZ 3.96Å; F77-F175 AromaticContact CZ-CE1 3.57Å; F77-F175 HydrophobicContact CZ-CE1 3.57Å; F77-F175 AromaticContact CZ-CZ 3.66Å; F77-F175 HydrophobicContact CZ-CZ 3.66Å
78	Y	96.7	Very high	95.4	Very high	112 Å²	112	53.1 Å²	53.1	44%	0.439	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	173.2	55.2	-87.8	0	0	0	112.9	N76 Q125 Q126 L127	N76-Y78 WeakPolarHBondContact O-CD1 3.32Å; Y78-Q125 PolarHBondContact N-O 2.84Å; Y78-Q126 HydrophobicContact CD1-CG 4.15Å; Y78-Q126 HydrophobicContact CD2-CG 3.91Å; Y78-Q126 HydrophobicContact CE1-CG 3.71Å; Y78-Q126 HydrophobicContact CE2-CB 4.42Å; Y78-Q126 HydrophobicContact CE2-CG 3.44Å; Y78-Q126 VanDerWaalsContact CE2-CG 3.44Å; Y78-Q126 HydrophobicContact CG-CG 4.28Å; Y78-Q126 VanDerWaalsContact O-CA 3.31Å; Y78-Q126 WeakPolarHBondContact O-CA 3.46Å; Y78-Q126 VanDerWaalsContact OH-CD 3.25Å; Y78-Q126 PolarHBondContact OH-NE2 3.41Å; Y78-L127 PolarHBondContact O-N 3.42Å
79	I	98.6	Very high	95.5	Very high	18 Å²	18	54.3 Å²	54.3	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.4	174	-50.5	175.5	0	0	0	106.7	F77 F98 L127 V129 L172	F77-I79 HydrophobicContact CE1-CD1 4.28Å; F77-I79 HydrophobicContact CE1-CG1 3.65Å; F77-I79 HydrophobicContact CZ-CG1 4.09Å; I79-F98 HydrophobicContact CB-CB 4Å; I79-F98 HydrophobicContact CB-CD1 4.27Å; I79-F98 HydrophobicContact CB-CG 4.04Å; I79-F98 HydrophobicContact CG2-CB 4.1Å; I79-F98 HydrophobicContact CG2-CD1 3.4Å; I79-F98 VanDerWaalsContact CG2-CD1 3.4Å; I79-F98 HydrophobicContact CG2-CD2 4.2Å; I79-F98 HydrophobicContact CG2-CE1 3.85Å; I79-F98 HydrophobicContact CG2-CG 3.63Å; I79-F98 HydrophobicContact CG2-CZ 4.39Å; I79-L127 WeakPolarHBondContact CA-O 3.19Å; I79-L127 HydrophobicContact CG1-CB 4.31Å; I79-L127 HydrophobicContact CG1-CD2 4.48Å; I79-L127 HydrophobicContact CG2-CB 4.38Å; I79-L127 HydrophobicContact CG2-CD2 4.22Å; I79-L127 HydrophobicContact CG2-CG 4.38Å; I79-V129 HydrophobicContact CG2-CG2 3.85Å; I79-L172 HydrophobicContact CD1-CD2 4.22Å; I79-L172 HydrophobicContact CG2-CD2 4.01Å
80	S	98.4	Very high	95.7	Very high	31 Å²	31	55.3 Å²	55.3	22%	0.217	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.8	-176.8	59.7	0	0	0	0	112.3	L127 L128 V129	S80-L127 PolarHBondContact N-O 2.89Å; S80-L127 VanDerWaalsContact N-O 3.09Å; S80-L128 WeakPolarHBondContact O-CA 3.45Å; S80-L128 VanDerWaalsContact OG-CD2 3.31Å; S80-L128 WeakPolarHBondContact OG-CD2 3.43Å; S80-V129 PolarHBondContact O-N 2.98Å
81	H	98.6	Very high	95.8	Very high	29 Å²	29	55 Å²	55	13%	0.134	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	140.6	174.8	-59.2	-80.4	0	0	0	111.1	G88 E95 F98	H81-G88 PolarHBondContact CE1-O 3.28Å; H81-G88 PolarHBondContact NE2-O 2.97Å; H81-E95 IonicContact CD2-OE1 3.35Å; H81-E95 PolarHBondContact CD2-OE1 3.01Å; H81-E95 IonicContact CE1-OE1 3.84Å; H81-E95 IonicContact NE2-OE1 2.69Å; H81-E95 PolarHBondContact NE2-OE1 3.27Å; H81-F98 AromaticContact CD2-CE2 3.87Å; H81-F98 AromaticContact CE1-CE2 3.63Å; H81-F98 AromaticContact CE1-CZ 3.79Å; H81-F98 AromaticContact NE2-CE2 3.51Å
82	S	97.9	Very high	95.9	Very high	18 Å²	18	57.1 Å²	57.1	13%	0.126	33%	0.333	C	S	.	.			trans	-70.4	143.7	166	-178.6	0	0	0	0	110.3	N84 S85 V129	S82-N84 VanDerWaalsContact CB-OD1 3.26Å; S82-N84 WeakPolarHBondContact CB-OD1 3.21Å; S82-N84 PolarHBondContact O-N 3.31Å; S82-N84 PolarHBondContact OG-OD1 2.82Å; S82-S85 WeakPolarHBondContact O-CB 3.26Å; S82-S85 PolarHBondContact O-N 2.87Å; S82-V129 PolarHBondContact N-O 2.77Å
83	P	97.1	Very high	96.1	Very high	130 Å²	130	57 Å²	57	84%	0.844	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.1	177.3	-25.4	34	0	0	0	115.1
84	N	96.6	Very high	96.5	Very high	116 Å²	116	56.5 Å²	56.5	62%	0.62	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	6.5	178.9	71.1	-9.4	0	0	0	114	S82 S130	S82-N84 VanDerWaalsContact CB-OD1 3.26Å; S82-N84 WeakPolarHBondContact CB-OD1 3.21Å; S82-N84 PolarHBondContact O-N 3.31Å; S82-N84 PolarHBondContact OG-OD1 2.82Å; N84-S130 PolarHBondContact OD1-OG 3.38Å
85	S	98.1	Very high	96.9	Very high	21 Å²	21	57.9 Å²	57.9	15%	0.147	33%	0.332	C	S	.	.			trans	-75.1	141.6	-179.4	-174.6	0	0	0	0	110.9	S82 A87 I131	S82-S85 WeakPolarHBondContact O-CB 3.26Å; S82-S85 PolarHBondContact O-N 2.87Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 VanDerWaalsContact CB-O 3.24Å; S85-A87 WeakPolarHBondContact CB-O 3.48Å; S85-A87 PolarHBondContact OG-N 3.29Å; S85-A87 PolarHBondContact OG-O 3.05Å; S85-I131 PolarHBondContact OG-N 3.05Å
86	T	98	Very high	97.4	Very high	74 Å²	74	53.3 Å²	53.3	45%	0.454	31%	0.311	S	S	.	.	S	Bend	trans	-74.8	-17.3	169.4	60.1	0	0	0	0	113	I131 L133	T86-I131 PolarHBondContact N-O 3.1Å; T86-I131 WeakPolarHBondContact OG1-CG2 3.3Å; T86-I131 PolarHBondContact OG1-O 3.48Å; T86-L133 WeakPolarHBondContact CB-O 3.45Å; T86-L133 WeakPolarHBondContact CG2-O 3.46Å; T86-L133 PolarHBondContact OG1-O 2.81Å
87	A	97.7	Very high	97.7	Very high	7 Å²	7	48.3 Å²	48.3	6%	0.058	28%	0.284	C	S	.	.			trans	-95.6	145.1	168.7	0	0	0	0	0	110	S85 C91 L94 I131	S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 VanDerWaalsContact CB-O 3.24Å; S85-A87 WeakPolarHBondContact CB-O 3.48Å; S85-A87 PolarHBondContact OG-N 3.29Å; S85-A87 PolarHBondContact OG-O 3.05Å; A87-C91 HydrophobicContact CB-CB 4.2Å; A87-L94 HydrophobicContact CB-CD1 3.76Å; A87-I131 HydrophobicContact CB-CB 4.32Å; A87-I131 HydrophobicContact CB-CG1 3.82Å
88	G	96.3	Very high	97.8	Very high	19 Å²	19	48.6 Å²	48.6	20%	0.196	29%	0.285	C	S	.	.			trans	-136.8	-164.5	175.9	0	0	0	0	0	112	H81 S90 C91	H81-G88 PolarHBondContact CE1-O 3.28Å; H81-G88 PolarHBondContact NE2-O 2.97Å; G88-S90 PolarHBondContact O-N 2.8Å; G88-C91 VanDerWaalsContact O-CB 3.25Å; G88-C91 WeakPolarHBondContact O-CB 3.47Å; G88-C91 PolarHBondContact O-N 3.05Å
89	P	96.8	Very high	97.9	Very high	112 Å²	112	51 Å²	51	73%	0.727	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.7	-177.3	-26.6	35.6	0	0	0	115.5	C91	P89-C91 PolarHBondContact O-N 3.15Å
90	S	96.9	Very high	97.8	Very high	106 Å²	106	51.8 Å²	51.8	74%	0.741	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-14	172.7	53.2	0	0	0	0	113.6	G88 T92	G88-S90 PolarHBondContact O-N 2.8Å; S90-T92 PolarHBondContact O-N 3.08Å
91	C	98.2	Very high	97.8	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.027	29%	0.286	C	S	.	.			trans	-80	84	-178.3	-180	0	0	0	0	111.3	A87 G88 P89 L93 L94 E95 C137	A87-C91 HydrophobicContact CB-CB 4.2Å; G88-C91 VanDerWaalsContact O-CB 3.25Å; G88-C91 WeakPolarHBondContact O-CB 3.47Å; G88-C91 PolarHBondContact O-N 3.05Å; P89-C91 PolarHBondContact O-N 3.15Å; C91-L93 PolarHBondContact O-N 3.3Å; C91-L93 VanDerWaalsContact O-N 3.09Å; C91-L94 HydrophobicContact CB-CB 4.41Å; C91-L94 PolarHBondContact O-N 3.17Å; C91-L94 VanDerWaalsContact SG-CG 3.57Å; C91-E95 PolarHBondContact O-N 2.94Å; C91-C137 WeakPolarHBondContact CA-SG 3.04Å; C91-C137 HydrophobicContact CB-CB 3.97Å; C91-C137 WeakPolarHBondContact CB-SG 3.48Å; C91-C137 WeakPolarHBondContact SG-CB 3.43Å; C91-C137 CovalentContact SG-SG 2.02Å; C91-C137 PolarHBondContact SG-SG 2.89Å
92	T	97.6	Very high	97.8	Very high	81 Å²	81	52.1 Å²	52.1	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-49	-39.5	-179.5	-55.9	0	0	0	0	112.9	S90 L94 E95 E96	S90-T92 PolarHBondContact O-N 3.08Å; T92-L94 PolarHBondContact O-N 2.99Å; T92-E95 PolarHBondContact O-N 2.95Å; T92-E96 HydrophobicContact CG2-CG 4.31Å; T92-E96 WeakPolarHBondContact O-CB 3.3Å; T92-E96 WeakPolarHBondContact O-CG 3.29Å; T92-E96 PolarHBondContact O-N 3.16Å
93	L	98.5	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-44.5	178.7	177	156.2	0	0	0	112.7	C91 A97 V165 W166 L169 L280	C91-L93 PolarHBondContact O-N 3.3Å; C91-L93 VanDerWaalsContact O-N 3.09Å; L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 2.96Å; L93-V165 HydrophobicContact CD1-CG2 4.33Å; L93-V165 HydrophobicContact CD2-CB 3.95Å; L93-V165 HydrophobicContact CD2-CG1 4.49Å; L93-V165 HydrophobicContact CD2-CG2 4.31Å; L93-W166 HydrophobicContact CD1-CE3 4.45Å; L93-W166 HydrophobicContact CD1-CH2 4.13Å; L93-W166 HydrophobicContact CD1-CZ3 3.62Å; L93-L169 HydrophobicContact CD1-CD1 4.45Å; L93-L169 HydrophobicContact CD2-CD1 3.9Å; L93-L169 HydrophobicContact CD2-CD2 3.78Å; L93-L169 HydrophobicContact CD2-CG 3.92Å; L93-L169 HydrophobicContact CG-CD1 4.39Å; L93-L280 HydrophobicContact CB-CD2 3.98Å; L93-L280 HydrophobicContact CG-CD2 4.43Å
94	L	98.7	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-78.6	-37.6	179.7	-72.7	-179.1	0	0	0	111.7	A87 C91 T92 E96 A97 F98 I131 V165 A168 L169	A87-L94 HydrophobicContact CB-CD1 3.76Å; C91-L94 HydrophobicContact CB-CB 4.41Å; C91-L94 PolarHBondContact O-N 3.17Å; C91-L94 VanDerWaalsContact SG-CG 3.57Å; T92-L94 PolarHBondContact O-N 2.99Å; L94-E96 PolarHBondContact O-N 3.07Å; L94-A97 CarbonylContact O-C 3.44Å; L94-A97 WeakPolarHBondContact O-CA 3.24Å; L94-A97 VanDerWaalsContact O-CB 3.26Å; L94-A97 WeakPolarHBondContact O-CB 3.38Å; L94-A97 PolarHBondContact O-N 3.09Å; L94-F98 HydrophobicContact CB-CE1 4.02Å; L94-F98 HydrophobicContact CB-CE2 4.42Å; L94-F98 HydrophobicContact CB-CZ 3.87Å; L94-F98 HydrophobicContact CD1-CZ 4.44Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 WeakPolarHBondContact O-CD1 3.45Å; L94-F98 WeakPolarHBondContact O-CG 3.37Å; L94-F98 PolarHBondContact O-N 2.92Å; L94-I131 HydrophobicContact CD1-CD1 4.32Å; L94-I131 HydrophobicContact CD1-CG1 4.07Å; L94-V165 HydrophobicContact CD1-CG1 4.08Å; L94-V165 HydrophobicContact CG-CG1 4.16Å; L94-A168 HydrophobicContact CD2-CB 4.08Å; L94-L169 HydrophobicContact CD2-CD2 4.44Å
95	E	98.6	Very high	97.5	Very high	61 Å²	61	44.2 Å²	44.2	29%	0.285	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-47.2	176.5	-69.7	-58.1	134.7	0	0	111.9	H81 C91 T92 A97 F98 R99	H81-E95 IonicContact CD2-OE1 3.35Å; H81-E95 PolarHBondContact CD2-OE1 3.01Å; H81-E95 IonicContact CE1-OE1 3.84Å; H81-E95 IonicContact NE2-OE1 2.69Å; H81-E95 PolarHBondContact NE2-OE1 3.27Å; C91-E95 PolarHBondContact O-N 2.94Å; T92-E95 PolarHBondContact O-N 2.95Å; E95-A97 PolarHBondContact O-N 2.89Å; E95-F98 PolarHBondContact O-N 2.64Å; E95-R99 PolarHBondContact O-N 2.82Å; E95-R99 VanDerWaalsContact O-N 3.11Å
96	E	98.3	Very high	97.3	Very high	70 Å²	70	43.8 Å²	43.8	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-25.2	173.7	-69.4	-59.9	142.3	0	0	111.8	T92 L94 R99 R100	T92-E96 HydrophobicContact CG2-CG 4.31Å; T92-E96 WeakPolarHBondContact O-CB 3.3Å; T92-E96 WeakPolarHBondContact O-CG 3.29Å; T92-E96 PolarHBondContact O-N 3.16Å; L94-E96 PolarHBondContact O-N 3.07Å; E96-R99 IonicContact OE1-CZ 2.72Å; E96-R99 IonicContact OE1-NH1 3.85Å; E96-R99 PolarHBondContact OE1-NH1 3.39Å; E96-R99 IonicContact OE1-NH2 3.32Å; E96-R99 IonicContact OE2-NH1 2.67Å; E96-R99 PolarHBondContact OE2-NH1 3.17Å; E96-R100 WeakPolarHBondContact O-CB 3.16Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.2Å; E96-R100 PolarHBondContact O-N 3.43Å; E96-R100 VanDerWaalsContact O-N 3.17Å; E96-R100 PolarHBondContact O-NH1 2.81Å
97	A	98.8	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.5	-45.6	173.6	0	0	0	0	0	112.3	L93 L94 E95 R99 R100 Y101 L169 L172	L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 2.96Å; L94-A97 CarbonylContact O-C 3.44Å; L94-A97 WeakPolarHBondContact O-CA 3.24Å; L94-A97 VanDerWaalsContact O-CB 3.26Å; L94-A97 WeakPolarHBondContact O-CB 3.38Å; L94-A97 PolarHBondContact O-N 3.09Å; E95-A97 PolarHBondContact O-N 2.89Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-R100 VanDerWaalsContact CB-NH2 3.3Å; A97-R100 WeakPolarHBondContact O-CG 3.42Å; A97-R100 PolarHBondContact O-N 2.84Å; A97-Y101 HydrophobicContact CB-CD2 4.41Å; A97-Y101 WeakPolarHBondContact O-CB 3.43Å; A97-Y101 WeakPolarHBondContact O-CD2 3.42Å; A97-Y101 PolarHBondContact O-N 3.3Å; A97-L169 HydrophobicContact CB-CD2 3.6Å; A97-L172 HydrophobicContact CB-CD1 3.7Å
98	F	98.6	Very high	94.8	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.053	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-45.7	179.4	-60.9	-8.4	0	0	0	110	I79 H81 L94 E95 H102 V129 L172	I79-F98 HydrophobicContact CB-CB 4Å; I79-F98 HydrophobicContact CB-CD1 4.27Å; I79-F98 HydrophobicContact CB-CG 4.04Å; I79-F98 HydrophobicContact CG2-CB 4.1Å; I79-F98 HydrophobicContact CG2-CD1 3.4Å; I79-F98 VanDerWaalsContact CG2-CD1 3.4Å; I79-F98 HydrophobicContact CG2-CD2 4.2Å; I79-F98 HydrophobicContact CG2-CE1 3.85Å; I79-F98 HydrophobicContact CG2-CG 3.63Å; I79-F98 HydrophobicContact CG2-CZ 4.39Å; H81-F98 AromaticContact CD2-CE2 3.87Å; H81-F98 AromaticContact CE1-CE2 3.63Å; H81-F98 AromaticContact CE1-CZ 3.79Å; H81-F98 AromaticContact NE2-CE2 3.51Å; L94-F98 HydrophobicContact CB-CE1 4.02Å; L94-F98 HydrophobicContact CB-CE2 4.42Å; L94-F98 HydrophobicContact CB-CZ 3.87Å; L94-F98 HydrophobicContact CD1-CZ 4.44Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 WeakPolarHBondContact O-CD1 3.45Å; L94-F98 WeakPolarHBondContact O-CG 3.37Å; L94-F98 PolarHBondContact O-N 2.92Å; E95-F98 PolarHBondContact O-N 2.64Å; F98-H102 VanDerWaalsContact O-CB 3.31Å; F98-H102 WeakPolarHBondContact O-CB 3.44Å; F98-H102 PolarHBondContact O-N 3.32Å; F98-V129 HydrophobicContact CD1-CG2 4.48Å; F98-V129 HydrophobicContact CE1-CB 4.02Å; F98-V129 HydrophobicContact CE1-CG1 4.23Å; F98-V129 HydrophobicContact CE1-CG2 3.59Å; F98-V129 HydrophobicContact CZ-CB 3.77Å; F98-V129 HydrophobicContact CZ-CG1 4.18Å; F98-V129 HydrophobicContact CZ-CG2 3.77Å; F98-L172 HydrophobicContact CD1-CD1 4.02Å; F98-L172 HydrophobicContact CD1-CD2 4.43Å; F98-L172 HydrophobicContact CE1-CD1 4.09Å
99	R	97.6	Very high	93.2	Very high	161 Å²	161	48.2 Å²	48.2	61%	0.608	26%	0.259	S	S	*	.	H	α-helix	trans	-61.3	-50.1	177.7	-167.4	-175.1	-60.5	145	6.1	112.7	E95 E96 A97 G103	E95-R99 PolarHBondContact O-N 2.82Å; E95-R99 VanDerWaalsContact O-N 3.11Å; E96-R99 IonicContact OE1-CZ 2.72Å; E96-R99 IonicContact OE1-NH1 3.85Å; E96-R99 PolarHBondContact OE1-NH1 3.39Å; E96-R99 IonicContact OE1-NH2 3.32Å; E96-R99 IonicContact OE2-NH1 2.67Å; E96-R99 PolarHBondContact OE2-NH1 3.17Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.98Å; R99-G103 PolarHBondContact O-N 2.89Å; R99-G103 VanDerWaalsContact O-N 3.07Å
100	R	97.6	Very high	91.1	Very high	35 Å²	35	51.6 Å²	51.6	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-41.1	-178.2	72.8	-173	168.5	-111.5	11.4	112.4	E96 A97 G103 Y104 L280	E96-R100 WeakPolarHBondContact O-CB 3.16Å; E96-R100 VanDerWaalsContact O-CG 3.29Å; E96-R100 WeakPolarHBondContact O-CG 3.2Å; E96-R100 PolarHBondContact O-N 3.43Å; E96-R100 VanDerWaalsContact O-N 3.17Å; E96-R100 PolarHBondContact O-NH1 2.81Å; A97-R100 VanDerWaalsContact CB-NH2 3.3Å; A97-R100 WeakPolarHBondContact O-CG 3.42Å; A97-R100 PolarHBondContact O-N 2.84Å; R100-G103 CarbonylContact O-C 3.56Å; R100-G103 WeakPolarHBondContact O-CA 3.27Å; R100-G103 PolarHBondContact O-N 3.04Å; R100-G103 VanDerWaalsContact O-N 3.14Å; R100-Y104 HydrophobicContact CB-CE2 4.05Å; R100-Y104 HydrophobicContact CG-CE2 4Å; R100-Y104 VanDerWaalsContact O-CD2 3.31Å; R100-Y104 WeakPolarHBondContact O-CD2 3.46Å; R100-Y104 VanDerWaalsContact O-CG 3.32Å; R100-Y104 PolarHBondContact O-N 3.2Å; R100-L280 PolarHBondContact NH2-O 3.45Å
101	Y	98.3	Very high	89	Confident	6 Å²	6	56.2 Å²	56.2	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-72.2	-34.2	-179.4	-80.7	-68.3	0	0	0	112.4	A97 G103 Y104 I105 L169 L172 E173	A97-Y101 HydrophobicContact CB-CD2 4.41Å; A97-Y101 WeakPolarHBondContact O-CB 3.43Å; A97-Y101 WeakPolarHBondContact O-CD2 3.42Å; A97-Y101 PolarHBondContact O-N 3.3Å; Y101-G103 VanDerWaalsContact C-N 3.27Å; Y101-G103 PolarHBondContact O-N 2.91Å; Y101-Y104 AromaticContact CD1-CD2 3.8Å; Y101-Y104 HydrophobicContact CD1-CD2 3.8Å; Y101-Y104 HydrophobicContact CE1-CD2 4.07Å; Y101-Y104 HydrophobicContact CG-CD2 4.38Å; Y101-Y104 PolarHBondContact O-N 3.04Å; Y101-I105 WeakPolarHBondContact O-CD1 3.24Å; Y101-I105 WeakPolarHBondContact O-CG1 3.37Å; Y101-I105 PolarHBondContact O-N 3.31Å; Y101-L169 PolarHBondContact OH-O 2.82Å; Y101-L172 HydrophobicContact CD1-CB 4.48Å; Y101-L172 HydrophobicContact CD2-CB 3.47Å; Y101-L172 VanDerWaalsContact CD2-CB 3.47Å; Y101-L172 HydrophobicContact CD2-CD1 3.92Å; Y101-L172 HydrophobicContact CD2-CG 4.19Å; Y101-L172 HydrophobicContact CE2-CB 3.45Å; Y101-L172 VanDerWaalsContact CE2-CB 3.45Å; Y101-L172 HydrophobicContact CE2-CD1 4.17Å; Y101-L172 HydrophobicContact CE2-CG 4.44Å; Y101-L172 HydrophobicContact CG-CB 4Å; Y101-E173 HydrophobicContact CE1-CB 4.15Å; Y101-E173 WeakPolarHBondContact CE1-OE2 3.38Å; Y101-E173 WeakPolarHBondContact OH-CB 3.35Å
102	H	97.3	Very high	86.6	Confident	62 Å²	62	62.8 Å²	62.8	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-57.2	-45.1	167	-171	-72.5	0	0	0	110.8	F77 F98 I105 F106	F77-H102 PolarHBondContact O-NE2 3.44Å; F98-H102 VanDerWaalsContact O-CB 3.31Å; F98-H102 WeakPolarHBondContact O-CB 3.44Å; F98-H102 PolarHBondContact O-N 3.32Å; H102-I105 PolarHBondContact O-N 2.66Å; H102-F106 AromaticContact CD2-CE2 3.95Å; H102-F106 AromaticContact CE1-CD2 3.52Å; H102-F106 AromaticContact ND1-CD2 3.73Å; H102-F106 AromaticContact NE2-CD2 3.7Å; H102-F106 AromaticContact NE2-CE2 3.77Å; H102-F106 WeakPolarHBondContact O-CD2 3.35Å; H102-F106 PolarHBondContact O-N 2.69Å
103	G	95.2	Very high	84.6	Confident	33 Å²	33	65.4 Å²	65.4	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-40.6	173.4	0	0	0	0	0	113.8	R99 R100 Y101 G107	R99-G103 PolarHBondContact O-N 2.89Å; R99-G103 VanDerWaalsContact O-N 3.07Å; R100-G103 CarbonylContact O-C 3.56Å; R100-G103 WeakPolarHBondContact O-CA 3.27Å; R100-G103 PolarHBondContact O-N 3.04Å; R100-G103 VanDerWaalsContact O-N 3.14Å; Y101-G103 VanDerWaalsContact C-N 3.27Å; Y101-G103 PolarHBondContact O-N 2.91Å; G103-G107 WeakPolarHBondContact O-CA 3.17Å; G103-G107 PolarHBondContact O-N 3.43Å
104	Y	95.4	Very high	82.3	Confident	50 Å²	50	73.9 Å²	73.9	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-71.3	-28.6	178	-63.3	-37.5	0	0	0	113.8	R100 Y101 F228 R539	R100-Y104 HydrophobicContact CB-CE2 4.05Å; R100-Y104 HydrophobicContact CG-CE2 4Å; R100-Y104 VanDerWaalsContact O-CD2 3.31Å; R100-Y104 WeakPolarHBondContact O-CD2 3.46Å; R100-Y104 VanDerWaalsContact O-CG 3.32Å; R100-Y104 PolarHBondContact O-N 3.2Å; Y101-Y104 AromaticContact CD1-CD2 3.8Å; Y101-Y104 HydrophobicContact CD1-CD2 3.8Å; Y101-Y104 HydrophobicContact CE1-CD2 4.07Å; Y101-Y104 HydrophobicContact CG-CD2 4.38Å; Y101-Y104 PolarHBondContact O-N 3.04Å; Y104-F228 HydrophobicContact CD2-CE1 4.1Å; Y104-F228 HydrophobicContact CE1-CE1 4.45Å; Y104-F228 HydrophobicContact CE1-CZ 4.05Å; Y104-F228 AromaticContact CE2-CE1 3.49Å; Y104-F228 HydrophobicContact CE2-CE1 3.49Å; Y104-F228 VanDerWaalsContact CE2-CE1 3.49Å; Y104-F228 AromaticContact CE2-CZ 3.91Å; Y104-F228 HydrophobicContact CE2-CZ 3.91Å; Y104-F228 AromaticContact CZ-CE1 3.7Å; Y104-F228 AromaticContact CZ-CZ 3.6Å; Y104-R539 HydrophobicContact CD1-CG 3.98Å; Y104-R539 HydrophobicContact CG-CG 4.45Å
105	I	95.3	Very high	80.1	Confident	15 Å²	15	79 Å²	79	8%	0.077	37%	0.373	C	S	.	.	H	α-helix	trans	-78.3	-43.6	178.7	-66.2	163.7	0	0	0	110.5	Y101 H102 F175 V179 F187	Y101-I105 WeakPolarHBondContact O-CD1 3.24Å; Y101-I105 WeakPolarHBondContact O-CG1 3.37Å; Y101-I105 PolarHBondContact O-N 3.31Å; H102-I105 PolarHBondContact O-N 2.66Å; I105-F175 HydrophobicContact CD1-CD1 3.98Å; I105-F175 HydrophobicContact CD1-CE1 3.96Å; I105-V179 HydrophobicContact CG2-CB 4.24Å; I105-V179 HydrophobicContact CG2-CG1 3.91Å; I105-V179 HydrophobicContact CG2-CG2 4.2Å; I105-F187 VanDerWaalsContact O-CE1 3.22Å; I105-F187 WeakPolarHBondContact O-CE1 3.1Å
106	F	93.3	Very high	78.1	Confident	12 Å²	12	78.2 Å²	78.2	5%	0.053	38%	0.377	C	S	.	.	H	α-helix	trans	-116.4	-10.7	-170.7	-52.4	-68.5	0	0	0	115.3	L72 P74 F77 H102 F108 Y109 F187	L72-F106 HydrophobicContact CB-CE1 4.14Å; L72-F106 HydrophobicContact CB-CZ 4.14Å; L72-F106 HydrophobicContact CD2-CZ 4.16Å; P74-F106 HydrophobicContact CB-CB 4.27Å; P74-F106 HydrophobicContact CB-CD1 3.75Å; P74-F106 HydrophobicContact CB-CE1 4.22Å; P74-F106 HydrophobicContact CB-CG 4Å; P74-F106 HydrophobicContact CG-CD1 3.66Å; P74-F106 HydrophobicContact CG-CE1 4.03Å; P74-F106 HydrophobicContact CG-CG 4.39Å; F77-F106 HydrophobicContact CB-CE2 4.27Å; F77-F106 HydrophobicContact CB-CZ 3.95Å; F77-F106 AromaticContact CD1-CE2 3.57Å; F77-F106 HydrophobicContact CD1-CE2 3.57Å; F77-F106 AromaticContact CD1-CZ 3.75Å; F77-F106 HydrophobicContact CD1-CZ 3.75Å; F77-F106 HydrophobicContact CE1-CE2 4.28Å; F77-F106 HydrophobicContact CG-CE2 4.23Å; F77-F106 HydrophobicContact CG-CZ 4Å; H102-F106 AromaticContact CD2-CE2 3.95Å; H102-F106 AromaticContact CE1-CD2 3.52Å; H102-F106 AromaticContact ND1-CD2 3.73Å; H102-F106 AromaticContact NE2-CD2 3.7Å; H102-F106 AromaticContact NE2-CE2 3.77Å; H102-F106 WeakPolarHBondContact O-CD2 3.35Å; H102-F106 PolarHBondContact O-N 2.69Å; F106-F108 PolarHBondContact O-N 3.34Å; F106-Y109 WeakPolarHBondContact O-CB 3.46Å; F106-Y109 PolarHBondContact O-N 2.97Å; F106-F187 HydrophobicContact CD1-CD1 4.11Å; F106-F187 AromaticContact CD1-CD2 3.97Å; F106-F187 HydrophobicContact CD1-CD2 3.97Å; F106-F187 AromaticContact CD1-CE1 3.99Å; F106-F187 HydrophobicContact CD1-CE1 3.99Å; F106-F187 AromaticContact CD1-CE2 3.83Å; F106-F187 HydrophobicContact CD1-CE2 3.83Å; F106-F187 HydrophobicContact CD1-CG 4.1Å; F106-F187 AromaticContact CD1-CZ 3.85Å; F106-F187 HydrophobicContact CD1-CZ 3.85Å; F106-F187 HydrophobicContact CE1-CB 4.45Å; F106-F187 HydrophobicContact CE1-CD1 4.25Å; F106-F187 HydrophobicContact CE1-CD2 4.12Å; F106-F187 HydrophobicContact CE1-CE2 4.45Å; F106-F187 HydrophobicContact CE1-CG 4.01Å
107	G	78.2	Confident	76.1	Confident	43 Å²	43	84.3 Å²	84.3	44%	0.443	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.4	-168	0	0	0	0	0	115.2	G103 Y109	G103-G107 WeakPolarHBondContact O-CA 3.17Å; G103-G107 PolarHBondContact O-N 3.43Å; G107-Y109 VanDerWaalsContact C-N 3.31Å
108	F	66.4	Low	74.4	Confident	69 Å²	69	87.2 Å²	87.2	30%	0.303	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0	177.4	-54.8	-70.7	0	0	0	113.5	F106 K110 E538 M556	F106-F108 PolarHBondContact O-N 3.34Å; F108-K110 PolarHBondContact O-N 3.28Å; F108-E538 WeakPolarHBondContact CE1-O 3.31Å; F108-E538 HydrophobicContact CE2-CB 4.27Å; F108-E538 HydrophobicContact CZ-CB 4.45Å; F108-E538 WeakPolarHBondContact CZ-O 3.24Å; F108-M556 HydrophobicContact CD1-CE 3.56Å; F108-M556 HydrophobicContact CD1-SD 4.04Å; F108-M556 HydrophobicContact CE1-CE 3.72Å; F108-M556 HydrophobicContact CE1-SD 4.19Å
109	Y	61.3	Low	72.7	Confident	80 Å²	80	94 Å²	94	31%	0.314	45%	0.45	S	S	.	.			trans	-70.3	18.7	-178.1	-172.2	-110.9	0	0	0	115.2	P74 F106 G107 W111 F187	P74-Y109 HydrophobicContact CG-CD1 4.29Å; P74-Y109 HydrophobicContact CG-CE1 4.29Å; P74-Y109 HydrophobicContact CG-CG 4.46Å; F106-Y109 WeakPolarHBondContact O-CB 3.46Å; F106-Y109 PolarHBondContact O-N 2.97Å; G107-Y109 VanDerWaalsContact C-N 3.31Å; Y109-W111 PolarHBondContact O-N 3.23Å; Y109-F187 AromaticContact CD2-CE2 3.39Å; Y109-F187 HydrophobicContact CD2-CE2 3.39Å; Y109-F187 AromaticContact CD2-CZ 3.83Å; Y109-F187 HydrophobicContact CD2-CZ 3.83Å; Y109-F187 AromaticContact CE2-CE2 3.87Å; Y109-F187 HydrophobicContact CE2-CE2 3.87Å; Y109-F187 AromaticContact CG-CE2 3.97Å; Y109-F187 HydrophobicContact CG-CE2 3.97Å; Y109-F187 HydrophobicContact CG-CZ 4.25Å
110	K	53.7	Low	71.2	Confident	184 Å²	184	91 Å²	91	80%	0.8	46%	0.459	S	S	*	.			trans	-78.6	15.4	-174.7	-80.8	-167.1	175.8	-177.3	0	115.9	F108	F108-K110 PolarHBondContact O-N 3.28Å
111	W	52	Low	70.3	Confident	202 Å²	202	97.6 Å²	97.6	77%	0.765	49%	0.488	S	S	*	.	S	Bend	trans	-135.1	112	179	-68.4	89.8	0	0	0	110.8	Y109	Y109-W111 PolarHBondContact O-N 3.23Å
112	H	48.1	Very low	69.8	Low	143 Å²	143	98.3 Å²	98.3	66%	0.662	49%	0.494	S	S	*	.			trans	39.3	110.8	159.6	-55	-59.4	0	0	0	117.5
113	H	55.3	Low	69.7	Low	135 Å²	135	97.3 Å²	97.3	63%	0.625	49%	0.489	S	S	*	.				-171.9	148.4	129	-81.9	-45.7	0	0	0	109.7	Y184	H113-Y184 PolarHBondContact CD2-O 2.93Å; H113-Y184 VanDerWaalsContact CD2-O 3.27Å
114	E	49.9	Very low	69.7	Low	178 Å²	178	95.8 Å²	95.8	83%	0.832	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-59.1	151.9	168.8	-72.9	-173.2	162.2	0	0	109.9	A116	E114-A116 PolarHBondContact O-N 2.85Å
115	P	53.5	Low	69.8	Low	109 Å²	109	97.5 Å²	97.5	71%	0.708	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-53.4	119.3	178.1	20.3	-31.1	0	0	0	109.7	E117	P115-E117 PolarHBondContact O-N 3.33Å
116	A	56	Low	69.9	Low	44 Å²	44	98.5 Å²	98.5	36%	0.364	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-58.1	122.7	177	0	0	0	0	0	109.2	E114 F118 T186	E114-A116 PolarHBondContact O-N 2.85Å; A116-F118 HydrophobicContact CB-CE1 3.92Å; A116-F118 HydrophobicContact CB-CZ 4Å; A116-F118 WeakPolarHBondContact O-CD2 2.91Å; A116-F118 WeakPolarHBondContact O-CE2 3.29Å; A116-F118 PolarHBondContact O-N 2.78Å; A116-T186 HydrophobicContact CB-CG2 4.38Å
117	E	56	Low	70.1	Confident	197 Å²	197	98 Å²	98	92%	0.921	49%	0.485	S	S	*	.			trans	-69	103.3	169.9	-78.6	-169.5	161.5	0	0	108.6	P115	P115-E117 PolarHBondContact O-N 3.33Å
118	F	63.1	Low	71.1	Confident	61 Å²	61	97.4 Å²	97.4	27%	0.268	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-76.3	140.9	177.8	-59.1	-65.6	0	0	0	111	H71 A73 A116 T186	H71-F118 HydrophobicContact CB-CD1 3.37Å; H71-F118 HydrophobicContact CB-CE1 3.23Å; H71-F118 HydrophobicContact CB-CG 4.32Å; H71-F118 HydrophobicContact CB-CZ 4.09Å; H71-F118 AromaticContact CD2-CD1 3.66Å; H71-F118 AromaticContact CG-CD1 3.61Å; H71-F118 AromaticContact CG-CE1 3.71Å; A73-F118 HydrophobicContact CB-CE2 3.94Å; A116-F118 HydrophobicContact CB-CE1 3.92Å; A116-F118 HydrophobicContact CB-CZ 4Å; A116-F118 WeakPolarHBondContact O-CD2 2.91Å; A116-F118 WeakPolarHBondContact O-CE2 3.29Å; A116-F118 PolarHBondContact O-N 2.78Å; F118-T186 HydrophobicContact CE1-CG2 3.78Å
119	Q	62.7	Low	72.6	Confident	156 Å²	156	94.1 Å²	94.1	73%	0.729	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-60.3	140.1	167	-66.8	-178.3	4.8	0	0	109.5	K121 T122	Q119-K121 PolarHBondContact O-N 3.22Å; Q119-T122 HydrophobicContact CB-CG2 4.1Å; Q119-T122 PolarHBondContact O-N 3.18Å; Q119-T122 PolarHBondContact O-OG1 2.91Å
120	A	67.4	Low	74.4	Confident	96 Å²	96	90.5 Å²	90.5	79%	0.793	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	136	176.3	0	0	0	0	0	110.4
121	K	77.7	Confident	76.6	Confident	174 Å²	174	81.7 Å²	81.7	76%	0.757	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	43.4	-178.8	-58	-175.5	-179.9	-179.5	0	116.1	Q119 E155	Q119-K121 PolarHBondContact O-N 3.22Å; K121-E155 VanDerWaalsContact CA-CD 3.42Å; K121-E155 WeakPolarHBondContact CA-OE1 3.25Å; K121-E155 VanDerWaalsContact CA-OE2 3.24Å; K121-E155 WeakPolarHBondContact CA-OE2 3.45Å; K121-E155 VanDerWaalsContact CB-OE2 3.29Å; K121-E155 WeakPolarHBondContact CB-OE2 3.49Å
122	T	89	Confident	78.7	Confident	21 Å²	21	74.8 Å²	74.8	13%	0.129	39%	0.386	C	S	.	.			trans	-132.5	5.4	174.2	60.8	0	0	0	0	113.3	L70 H71 Q119	L70-T122 CarbonylContact C-O 3.56Å; L70-T122 WeakPolarHBondContact CA-O 3.02Å; H71-T122 PolarHBondContact N-O 3Å; Q119-T122 HydrophobicContact CB-CG2 4.1Å; Q119-T122 PolarHBondContact O-N 3.18Å; Q119-T122 PolarHBondContact O-OG1 2.91Å
123	Q	93.6	Very high	81.1	Confident	42 Å²	42	71.6 Å²	71.6	20%	0.196	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-102.9	124.7	-170.7	-168.1	-177.7	20.4	0	0	112.9	H71 A73 Q125 E155	H71-Q123 WeakPolarHBondContact O-CA 3.42Å; A73-Q123 VanDerWaalsContact CB-NE2 3.26Å; Q123-Q125 HydrophobicContact CG-CG 4.29Å; Q123-Q125 PolarHBondContact O-N 3.33Å; Q123-E155 VanDerWaalsContact O-CG 3.25Å; Q123-E155 WeakPolarHBondContact O-CG 3.16Å
124	V	96.6	Very high	83	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.377	C	S	.	.			trans	-82.9	112.4	163.1	-175.9	0	0	0	0	107.9	L70 H71 L72 F77 A158 I189	L70-V124 HydrophobicContact CB-CG2 3.85Å; L70-V124 HydrophobicContact CD1-CG2 3.65Å; L70-V124 HydrophobicContact CG-CG2 4.38Å; H71-V124 PolarHBondContact O-N 3.27Å; L72-V124 HydrophobicContact CG-CB 4.48Å; F77-V124 HydrophobicContact CD2-CG1 4.36Å; F77-V124 HydrophobicContact CE2-CG1 3.99Å; V124-A158 HydrophobicContact CG1-CB 3.98Å; V124-I189 HydrophobicContact CG2-CG2 4.2Å
125	Q	95.9	Very high	85.2	Confident	86 Å²	86	65 Å²	65	40%	0.402	34%	0.344	S	S	.	.			trans	-89.1	-30.1	179.7	-64.3	-175.5	-11.5	0	0	112	F77 Y78 Q123 P156	F77-Q125 WeakPolarHBondContact CA-O 3.42Å; Y78-Q125 PolarHBondContact N-O 2.84Å; Q123-Q125 HydrophobicContact CG-CG 4.29Å; Q123-Q125 PolarHBondContact O-N 3.33Å; Q125-P156 PolarHBondContact N-O 3.22Å
126	Q	97.4	Very high	87.3	Confident	37 Å²	37	62.1 Å²	62.1	17%	0.173	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.3	-172.3	-60.1	175.7	27.5	0	0	112.2	Y78 P156 V157 A158	Y78-Q126 HydrophobicContact CD1-CG 4.15Å; Y78-Q126 HydrophobicContact CD2-CG 3.91Å; Y78-Q126 HydrophobicContact CE1-CG 3.71Å; Y78-Q126 HydrophobicContact CE2-CB 4.42Å; Y78-Q126 HydrophobicContact CE2-CG 3.44Å; Y78-Q126 VanDerWaalsContact CE2-CG 3.44Å; Y78-Q126 HydrophobicContact CG-CG 4.28Å; Y78-Q126 VanDerWaalsContact O-CA 3.31Å; Y78-Q126 WeakPolarHBondContact O-CA 3.46Å; Y78-Q126 VanDerWaalsContact OH-CD 3.25Å; Y78-Q126 PolarHBondContact OH-NE2 3.41Å; Q126-P156 PolarHBondContact N-O 3.4Å; Q126-V157 HydrophobicContact CB-CG1 4.41Å; Q126-V157 HydrophobicContact CB-CG2 4.44Å; Q126-A158 PolarHBondContact O-N 3.33Å
127	L	98.7	Very high	89.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.5	157.5	176.8	64.1	0	0	0	109	F77 Y78 I79 S80 V129 L151 A158 L160 L172 F175	F77-L127 HydrophobicContact CE2-CB 4.27Å; F77-L127 HydrophobicContact CZ-CB 3.8Å; Y78-L127 PolarHBondContact O-N 3.42Å; I79-L127 WeakPolarHBondContact CA-O 3.19Å; I79-L127 HydrophobicContact CG1-CB 4.31Å; I79-L127 HydrophobicContact CG1-CD2 4.48Å; I79-L127 HydrophobicContact CG2-CB 4.38Å; I79-L127 HydrophobicContact CG2-CD2 4.22Å; I79-L127 HydrophobicContact CG2-CG 4.38Å; S80-L127 PolarHBondContact N-O 2.89Å; S80-L127 VanDerWaalsContact N-O 3.09Å; L127-V129 HydrophobicContact CG-CG2 4.48Å; L127-L151 HydrophobicContact CD1-CD1 4.06Å; L127-A158 WeakPolarHBondContact CA-O 3.22Å; L127-A158 HydrophobicContact CD1-CB 3.74Å; L127-L160 HydrophobicContact CD1-CB 3.99Å; L127-L172 HydrophobicContact CD2-CD2 3.82Å; L127-F175 HydrophobicContact CB-CZ 4.4Å; L127-F175 HydrophobicContact CD1-CD2 4.12Å; L127-F175 HydrophobicContact CD1-CE2 4.14Å; L127-F175 HydrophobicContact CD2-CB 4.27Å; L127-F175 HydrophobicContact CD2-CD1 3.78Å; L127-F175 HydrophobicContact CD2-CD2 4.04Å; L127-F175 HydrophobicContact CD2-CE1 4.09Å; L127-F175 HydrophobicContact CD2-CE2 4.32Å; L127-F175 HydrophobicContact CD2-CG 3.75Å; L127-F175 HydrophobicContact CD2-CZ 4.35Å
128	L	98.7	Very high	91.3	Very high	31 Å²	31	57.5 Å²	57.5	16%	0.162	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.7	173	-69.4	-174.2	0	0	0	110.9	S80 V157 A158 V159 L160	S80-L128 WeakPolarHBondContact O-CA 3.45Å; S80-L128 VanDerWaalsContact OG-CD2 3.31Å; S80-L128 WeakPolarHBondContact OG-CD2 3.43Å; L128-V157 HydrophobicContact CB-CG1 4.2Å; L128-V157 HydrophobicContact CD1-CG1 3.7Å; L128-V157 HydrophobicContact CG-CG1 3.63Å; L128-A158 PolarHBondContact N-O 2.6Å; L128-V159 WeakPolarHBondContact O-CA 3.35Å; L128-L160 PolarHBondContact O-N 2.87Å
129	V	98.8	Very high	92.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.8	177.4	-176	0	0	0	0	109.6	I79 S80 S82 F98 L127 I131 L160 A168 L172	I79-V129 HydrophobicContact CG2-CG2 3.85Å; S80-V129 PolarHBondContact O-N 2.98Å; S82-V129 PolarHBondContact N-O 2.77Å; F98-V129 HydrophobicContact CD1-CG2 4.48Å; F98-V129 HydrophobicContact CE1-CB 4.02Å; F98-V129 HydrophobicContact CE1-CG1 4.23Å; F98-V129 HydrophobicContact CE1-CG2 3.59Å; F98-V129 HydrophobicContact CZ-CB 3.77Å; F98-V129 HydrophobicContact CZ-CG1 4.18Å; F98-V129 HydrophobicContact CZ-CG2 3.77Å; L127-V129 HydrophobicContact CG-CG2 4.48Å; V129-I131 HydrophobicContact CG1-CD1 4.3Å; V129-L160 CarbonylContact C-O 3.5Å; V129-L160 WeakPolarHBondContact CA-O 3.35Å; V129-L160 HydrophobicContact CG1-CD2 4.44Å; V129-L160 HydrophobicContact CG2-CB 4.38Å; V129-L160 HydrophobicContact CG2-CD2 4.28Å; V129-A168 HydrophobicContact CG1-CB 3.93Å; V129-L172 HydrophobicContact CG2-CD2 4.39Å
130	S	98.7	Very high	94.6	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.7	-176.9	-176.2	0	0	0	0	110.6	N84 L160 K161 A162	N84-S130 PolarHBondContact OD1-OG 3.38Å; S130-L160 PolarHBondContact N-O 3.17Å; S130-K161 WeakPolarHBondContact O-CA 3.27Å; S130-A162 PolarHBondContact O-N 3.03Å
131	I	98.7	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.1	172.4	-49.1	-56.9	0	0	0	109	S85 T86 A87 L94 V129 A162 N163 A168	S85-I131 PolarHBondContact OG-N 3.05Å; T86-I131 PolarHBondContact N-O 3.1Å; T86-I131 WeakPolarHBondContact OG1-CG2 3.3Å; T86-I131 PolarHBondContact OG1-O 3.48Å; A87-I131 HydrophobicContact CB-CB 4.32Å; A87-I131 HydrophobicContact CB-CG1 3.82Å; L94-I131 HydrophobicContact CD1-CD1 4.32Å; L94-I131 HydrophobicContact CD1-CG1 4.07Å; V129-I131 HydrophobicContact CG1-CD1 4.3Å; I131-A162 WeakPolarHBondContact CA-O 3.27Å; I131-A162 HydrophobicContact CD1-CB 4.37Å; I131-N163 WeakPolarHBondContact CG2-O 3.41Å; I131-A168 HydrophobicContact CD1-CB 3.58Å
132	T	97.9	Very high	97.1	Very high	57 Å²	57	42.2 Å²	42.2	35%	0.35	22%	0.221	S	C	.	.			trans	-90.5	-39.2	-168.2	-51	0	0	0	0	113.4	K161 A162	T132-K161 WeakPolarHBondContact OG1-CE 3.18Å; T132-A162 PolarHBondContact N-O 3.03Å; T132-A162 PolarHBondContact OG1-O 3.29Å
133	L	97	Very high	97.6	Very high	75 Å²	75	43 Å²	43	39%	0.393	22%	0.224	S	C	.	.	S	Bend	trans	-105.3	-175.9	-179.8	-53.9	-179	0	0	0	110.1	T86 S135 N163	T86-L133 WeakPolarHBondContact CB-O 3.45Å; T86-L133 WeakPolarHBondContact CG2-O 3.46Å; T86-L133 PolarHBondContact OG1-O 2.81Å; L133-S135 PolarHBondContact O-N 3.45Å; L133-N163 WeakPolarHBondContact CB-O 3.42Å; L133-N163 HydrophobicContact CD1-CB 4.08Å; L133-N163 HydrophobicContact CG-CB 4.33Å; L133-N163 PolarHBondContact N-O 2.63Å
134	Q	95.6	Very high	97.8	Very high	154 Å²	154	45.7 Å²	45.7	72%	0.72	25%	0.247	S	C	*	.			trans	-51.1	127.8	173.2	-179.9	-175.6	13.4	0	0	109.8	E136 R164	Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 2.76Å; Q134-R164 WeakPolarHBondContact O-CD 3.41Å; Q134-R164 PolarHBondContact O-NH1 2.94Å
135	S	95.6	Very high	97.9	Very high	20 Å²	20	46.4 Å²	46.4	14%	0.14	25%	0.252	C	S	.	.			trans	-64.2	-35.4	-160.5	65.5	0	0	0	0	114.2	L133 C137 V165	L133-S135 PolarHBondContact O-N 3.45Å; S135-C137 PolarHBondContact OG-N 2.85Å; S135-V165 VanDerWaalsContact O-CG1 3.3Å; S135-V165 WeakPolarHBondContact O-CG1 3.38Å; S135-V165 WeakPolarHBondContact O-CG2 3.28Å; S135-V165 PolarHBondContact O-N 3.02Å
136	E	98	Very high	98	Very high	49 Å²	49	44.7 Å²	44.7	23%	0.229	25%	0.246	C	C	.	.			trans	65	22.4	-167.6	-60.1	171.3	-162.3	0	0	113	Q134 D138 A139 R164 V165 W166	Q134-E136 VanDerWaalsContact C-N 3.32Å; Q134-E136 PolarHBondContact O-N 2.76Å; E136-D138 VanDerWaalsContact C-N 3.29Å; E136-D138 PolarHBondContact O-N 2.93Å; E136-A139 HydrophobicContact CB-CB 4.16Å; E136-A139 PolarHBondContact O-N 3.49Å; E136-A139 VanDerWaalsContact O-N 3.16Å; E136-R164 WeakPolarHBondContact OE1-CD 3.31Å; E136-R164 IonicContact OE1-CZ 3.63Å; E136-R164 IonicContact OE1-NE 3.31Å; E136-R164 PolarHBondContact OE1-NE 3.41Å; E136-R164 IonicContact OE1-NH1 3.49Å; E136-R164 IonicContact OE1-NH2 2.78Å; E136-V165 HydrophobicContact CB-CG2 4.49Å; E136-W166 HydrophobicContact CB-CZ2 4.05Å; E136-W166 WeakPolarHBondContact O-CZ2 3.37Å; E136-W166 PolarHBondContact OE2-NE1 2.91Å
137	C	97.7	Very high	98.1	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.027	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.9	-177.1	-169.3	0	0	0	0	114.3	C91 S135 V165 R279	C91-C137 WeakPolarHBondContact CA-SG 3.04Å; C91-C137 HydrophobicContact CB-CB 3.97Å; C91-C137 WeakPolarHBondContact CB-SG 3.48Å; C91-C137 WeakPolarHBondContact SG-CB 3.43Å; C91-C137 CovalentContact SG-SG 2.02Å; C91-C137 PolarHBondContact SG-SG 2.89Å; S135-C137 PolarHBondContact OG-N 2.85Å; C137-V165 HydrophobicContact CB-CG1 4.01Å; C137-R279 PolarHBondContact O-NH1 3.06Å
138	D	97.7	Very high	98.1	Very high	140 Å²	140	44.8 Å²	44.8	75%	0.749	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	2.8	-179.4	-54.1	-53.3	0	0	0	112.9	E136	E136-D138 VanDerWaalsContact C-N 3.29Å; E136-D138 PolarHBondContact O-N 2.93Å
139	A	98.3	Very high	98.1	Very high	39 Å²	39	43.5 Å²	43.5	32%	0.322	24%	0.243	S	C	.	.	S	Bend	trans	-91.1	166.5	179.6	0	0	0	0	0	111.7	E136 W166 R279	E136-A139 HydrophobicContact CB-CB 4.16Å; E136-A139 PolarHBondContact O-N 3.49Å; E136-A139 VanDerWaalsContact O-N 3.16Å; A139-W166 HydrophobicContact CB-CZ2 4.5Å; A139-W166 WeakPolarHBondContact O-CH2 3.44Å; A139-R279 WeakPolarHBondContact O-CD 3.38Å; A139-R279 PolarHBondContact O-NH1 3.36Å
140	F	98.6	Very high	98.1	Very high	82 Å²	82	45.8 Å²	45.8	36%	0.36	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-88.5	140.4	161.6	-72.9	-85.2	0	0	0	109.7	I275 R279 P345	F140-I275 HydrophobicContact CD1-CG2 4.34Å; F140-I275 HydrophobicContact CE1-CG2 3.43Å; F140-I275 VanDerWaalsContact CE1-CG2 3.43Å; F140-I275 HydrophobicContact CZ-CG2 3.99Å; F140-R279 HydrophobicContact CD1-CB 3.98Å; F140-R279 HydrophobicContact CD1-CG 3.64Å; F140-R279 HydrophobicContact CE1-CB 3.91Å; F140-R279 VanDerWaalsContact CE1-CD 3.43Å; F140-R279 HydrophobicContact CE1-CG 3.85Å; F140-R279 HydrophobicContact CG-CG 4.31Å; F140-P345 HydrophobicContact CD1-CB 4.19Å; F140-P345 HydrophobicContact CD1-CG 3.53Å; F140-P345 HydrophobicContact CD2-CB 3.65Å; F140-P345 HydrophobicContact CD2-CG 3.87Å; F140-P345 HydrophobicContact CE1-CB 4.35Å; F140-P345 HydrophobicContact CE1-CG 3.49Å; F140-P345 VanDerWaalsContact CE1-CG 3.49Å; F140-P345 HydrophobicContact CE2-CB 3.82Å; F140-P345 HydrophobicContact CE2-CG 3.83Å; F140-P345 HydrophobicContact CG-CB 3.85Å; F140-P345 HydrophobicContact CG-CG 3.73Å; F140-P345 HydrophobicContact CZ-CB 4.18Å; F140-P345 HydrophobicContact CZ-CG 3.65Å
141	P	98.6	Very high	98.1	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.065	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-62.6	153.8	172.3	29	-34.5	0	0	0	110.1	S145 W166 R284	P141-S145 WeakPolarHBondContact CA-OG 3.18Å; P141-W166 HydrophobicContact CB-CD2 4.17Å; P141-W166 HydrophobicContact CB-CE3 4.14Å; P141-W166 HydrophobicContact CB-CH2 4.19Å; P141-W166 HydrophobicContact CB-CZ2 4.21Å; P141-W166 HydrophobicContact CB-CZ3 4.14Å; P141-W166 HydrophobicContact CG-CH2 4.4Å; P141-W166 HydrophobicContact CG-CZ3 4.27Å; P141-R284 HydrophobicContact CB-CG 4.13Å; P141-R284 HydrophobicContact CG-CG 3.9Å; P141-R284 WeakPolarHBondContact O-CG 3.37Å
142	N	98.6	Very high	98.1	Very high	35 Å²	35	48.8 Å²	48.8	19%	0.187	27%	0.272	C	S	.	.			trans	-141.4	179.3	176	65.6	63.8	0	0	0	110.4	S144 S145	N142-S144 PolarHBondContact O-N 3.03Å; N142-S144 VanDerWaalsContact O-N 3.09Å; N142-S144 WeakPolarHBondContact OD1-CA 3.27Å; N142-S144 WeakPolarHBondContact OD1-CB 3.27Å; N142-S144 PolarHBondContact OD1-N 2.81Å; N142-S144 PolarHBondContact OD1-OG 2.81Å; N142-S145 PolarHBondContact N-OG 3.25Å; N142-S145 VanDerWaalsContact O-CB 3.29Å; N142-S145 WeakPolarHBondContact O-CB 3.31Å; N142-S145 PolarHBondContact O-N 2.9Å; N142-S145 PolarHBondContact O-OG 2.97Å; N142-S145 PolarHBondContact OD1-N 3.4Å
143	I	98.1	Very high	98.1	Very high	38 Å²	38	46.1 Å²	46.1	20%	0.195	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.2	-175.7	-167.7	60	0	0	0	114.3	S201 H202 F348 I482	I143-S201 WeakPolarHBondContact CD1-OG 3.48Å; I143-S201 WeakPolarHBondContact O-CB 3.29Å; I143-S201 PolarHBondContact O-OG 3.2Å; I143-H202 HydrophobicContact CD1-CB 3.83Å; I143-F348 HydrophobicContact CB-CE2 4.44Å; I143-F348 HydrophobicContact CG2-CE2 4.13Å; I143-I482 HydrophobicContact CD1-CD1 4.28Å
144	S	98.3	Very high	98.2	Very high	98 Å²	98	47.5 Å²	47.5	69%	0.685	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	1.7	179.4	70.5	0	0	0	0	114.2	N142 D146	N142-S144 PolarHBondContact O-N 3.03Å; N142-S144 VanDerWaalsContact O-N 3.09Å; N142-S144 WeakPolarHBondContact OD1-CA 3.27Å; N142-S144 WeakPolarHBondContact OD1-CB 3.27Å; N142-S144 PolarHBondContact OD1-N 2.81Å; N142-S144 PolarHBondContact OD1-OG 2.81Å; S144-D146 PolarHBondContact O-N 3.44Å
145	S	98.6	Very high	98.1	Very high	16 Å²	16	43.5 Å²	43.5	11%	0.112	24%	0.239	C	C	.	.			trans	-57.4	127.2	178.5	-76.5	0	0	0	0	111.3	P141 N142 E147 W166	P141-S145 WeakPolarHBondContact CA-OG 3.18Å; N142-S145 PolarHBondContact N-OG 3.25Å; N142-S145 VanDerWaalsContact O-CB 3.29Å; N142-S145 WeakPolarHBondContact O-CB 3.31Å; N142-S145 PolarHBondContact O-N 2.9Å; N142-S145 PolarHBondContact O-OG 2.97Å; N142-S145 PolarHBondContact OD1-N 3.4Å; S145-E147 PolarHBondContact O-N 2.83Å; S145-W166 VanDerWaalsContact CB-CD1 3.5Å; S145-W166 PolarHBondContact OG-NE1 3.29Å
146	D	98.7	Very high	98.1	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	25%	0.251	S	S	.	.			trans	-77.8	110.8	-179.5	-174.3	-8.2	0	0	0	111	S144 S148 N163 R164 G167	S144-D146 PolarHBondContact O-N 3.44Å; D146-S148 WeakPolarHBondContact OD1-CB 3.48Å; D146-S148 PolarHBondContact OD1-N 3.34Å; D146-S148 PolarHBondContact OD1-OG 2.85Å; D146-S148 PolarHBondContact OD2-OG 3.5Å; D146-N163 WeakPolarHBondContact OD2-CB 3.42Å; D146-N163 PolarHBondContact OD2-ND2 3.39Å; D146-R164 HydrophobicContact CB-CG 3.92Å; D146-G167 PolarHBondContact O-N 2.85Å
147	E	98.9	Very high	98.1	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.037	25%	0.251	C	S	.	.			trans	-99.1	10.1	-179.8	-59.1	-173.2	-93.6	0	0	113.1	S145 W166 G167 R170 P198 R203 N232 W514	S145-E147 PolarHBondContact O-N 2.83Å; E147-W166 HydrophobicContact CG-CB 4.18Å; E147-G167 WeakPolarHBondContact O-CA 3.27Å; E147-R170 HydrophobicContact CB-CG 4.43Å; E147-R170 IonicContact OE2-CZ 3.51Å; E147-R170 IonicContact OE2-NE 3.02Å; E147-R170 PolarHBondContact OE2-NE 3.07Å; E147-R170 IonicContact OE2-NH2 3.55Å; E147-R170 PolarHBondContact OE2-NH2 3.28Å; E147-P198 HydrophobicContact CB-CG 3.97Å; E147-R203 IonicContact OE1-CZ 3.9Å; E147-R203 VanDerWaalsContact OE1-CZ 3.29Å; E147-R203 IonicContact OE1-NH1 3.33Å; E147-R203 PolarHBondContact OE1-NH1 3.34Å; E147-R203 IonicContact OE1-NH2 3.74Å; E147-R203 PolarHBondContact OE1-NH2 3.26Å; E147-R203 IonicContact OE2-CZ 3.39Å; E147-R203 IonicContact OE2-NH2 3.85Å; E147-R203 PolarHBondContact OE2-NH2 3.08Å; E147-N232 PolarHBondContact OE1-ND2 3.1Å; E147-W514 HydrophobicContact CB-CH2 4.35Å
148	S	98.9	Very high	98.2	Very high	30 Å²	30	44.6 Å²	44.6	21%	0.21	25%	0.25	C	C	.	.			trans	-74.5	144.4	179.3	68.2	0	0	0	0	112.8	D146 D196	D146-S148 WeakPolarHBondContact OD1-CB 3.48Å; D146-S148 PolarHBondContact OD1-N 3.34Å; D146-S148 PolarHBondContact OD1-OG 2.85Å; D146-S148 PolarHBondContact OD2-OG 3.5Å; S148-D196 WeakPolarHBondContact CA-O 3.23Å
149	Y	98.9	Very high	98.2	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164	175.5	69.3	-84.5	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 4.39Å; Y149-L160 HydrophobicContact CD2-CD1 3.7Å; Y149-L160 HydrophobicContact CG-CD1 4.13Å; Y149-K161 CarbonylContact C-O 3.6Å; Y149-K161 WeakPolarHBondContact CA-O 3.36Å; Y149-G167 WeakPolarHBondContact CB-O 3.41Å; Y149-G167 WeakPolarHBondContact CD1-O 3.24Å; Y149-R170 HydrophobicContact CD1-CB 3.87Å; Y149-R170 HydrophobicContact CE1-CB 3.68Å; Y149-G171 VanDerWaalsContact CD2-CA 3.43Å; Y149-T174 HydrophobicContact CE2-CG2 4.45Å; Y149-T174 WeakPolarHBondContact OH-CB 3.48Å; Y149-T174 PolarHBondContact OH-OG1 3.45Å; Y149-I194 HydrophobicContact CE2-CG2 4.38Å; Y149-D196 HydrophobicContact CD1-CB 4.26Å; Y149-D196 HydrophobicContact CE1-CB 3.59Å; Y149-D196 WeakPolarHBondContact CE1-OD2 3.2Å; Y149-D196 HydrophobicContact CE2-CB 4.04Å; Y149-D196 VanDerWaalsContact CZ-CB 3.44Å; Y149-D196 PolarHBondContact N-O 3.46Å; Y149-D196 PolarHBondContact O-N 3.43Å; Y149-D196 WeakPolarHBondContact OH-CB 3.18Å; Y149-D196 PolarHBondContact OH-OD2 3.45Å; Y149-W514 HydrophobicContact CE1-CZ2 4.06Å
150	T	98.9	Very high	98.3	Very high	47 Å²	47	37.9 Å²	37.9	29%	0.288	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.3	171.2	59.3	0	0	0	0	109	K161 I194 I195	T150-K161 PolarHBondContact N-O 3.09Å; T150-K161 PolarHBondContact O-N 3.33Å; T150-K161 PolarHBondContact OG1-O 2.79Å; T150-I194 CarbonylContact C-O 3.5Å; T150-I194 VanDerWaalsContact CA-O 3.27Å; T150-I194 WeakPolarHBondContact CA-O 3.33Å; T150-I195 HydrophobicContact CG2-CB 4.42Å; T150-I195 HydrophobicContact CG2-CG1 4.02Å; T150-I195 HydrophobicContact CG2-CG2 4.2Å
151	L	98.9	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.8	-178.8	-174.3	66.4	0	0	0	109.1	L127 Y149 V153 L160 T174 F175 L178 T193 I194	L127-L151 HydrophobicContact CD1-CD1 4.06Å; Y149-L151 HydrophobicContact CD2-CB 4.43Å; Y149-L151 HydrophobicContact CE2-CB 4.39Å; L151-V153 HydrophobicContact CD2-CG2 4.29Å; L151-V153 HydrophobicContact CG-CG2 4.09Å; L151-L160 HydrophobicContact CD1-CB 3.84Å; L151-L160 HydrophobicContact CD1-CD1 4.19Å; L151-T174 HydrophobicContact CD2-CG2 4.31Å; L151-F175 HydrophobicContact CD1-CB 4.29Å; L151-F175 HydrophobicContact CD1-CD2 4.02Å; L151-F175 HydrophobicContact CD2-CB 3.83Å; L151-F175 HydrophobicContact CD2-CD2 4.14Å; L151-F175 HydrophobicContact CG-CD2 4.49Å; L151-L178 HydrophobicContact CD2-CD1 3.79Å; L151-T193 WeakPolarHBondContact O-CA 3.03Å; L151-I194 HydrophobicContact CB-CB 4.22Å; L151-I194 PolarHBondContact N-O 3.33Å; L151-I194 PolarHBondContact O-N 2.78Å
152	L	98.8	Very high	98.3	Very high	67 Å²	67	38.3 Å²	38.3	35%	0.351	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	102.8	176.8	-60.8	177.4	0	0	0	108.3	A158 V159 T193	L152-A158 CarbonylContact O-C 3.5Å; L152-A158 VanDerWaalsContact O-CA 3.23Å; L152-A158 WeakPolarHBondContact O-CA 3.29Å; L152-V159 HydrophobicContact CB-CB 4.43Å; L152-V159 PolarHBondContact N-O 3.32Å; L152-V159 PolarHBondContact O-N 2.8Å; L152-T193 HydrophobicContact CD2-CG2 3.61Å; L152-T193 WeakPolarHBondContact CD2-OG1 3.48Å
153	V	98.6	Very high	98.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.7	175.9	-177.9	0	0	0	0	108.1	L70 L151 F175 L178 I189 E191 S192	L70-V153 HydrophobicContact CD1-CG1 4.29Å; L151-V153 HydrophobicContact CD2-CG2 4.29Å; L151-V153 HydrophobicContact CG-CG2 4.09Å; V153-F175 HydrophobicContact CG2-CD2 4.18Å; V153-F175 HydrophobicContact CG2-CE2 4.24Å; V153-L178 HydrophobicContact CG2-CD1 3.9Å; V153-I189 HydrophobicContact CB-CD1 4.49Å; V153-I189 HydrophobicContact CG1-CD1 3.64Å; V153-I189 HydrophobicContact CG1-CG1 3.92Å; V153-I189 HydrophobicContact CG1-CG2 4.03Å; V153-I189 HydrophobicContact CG2-CD1 4.07Å; V153-E191 WeakPolarHBondContact O-CA 3.21Å; V153-E191 WeakPolarHBondContact O-CG 3.26Å; V153-S192 PolarHBondContact N-O 3.42Å; V153-S192 PolarHBondContact O-N 3.18Å; V153-S192 VanDerWaalsContact O-N 3.07Å
154	K	97.1	Very high	98.3	Very high	104 Å²	104	39.9 Å²	39.9	45%	0.452	22%	0.216	S	C	.	.			trans	-150.9	163.9	177.6	65.1	176.1	-177.2	173.8	0	110.6	V157 A158	K154-V157 WeakPolarHBondContact CG-O 3.33Å; K154-V157 CarbonylContact O-C 3.53Å; K154-V157 VanDerWaalsContact O-C 3.26Å; K154-V157 PolarHBondContact O-N 2.81Å; K154-A158 PolarHBondContact O-N 3.26Å
155	E	95.1	Very high	98.3	Very high	70 Å²	70	35.2 Å²	35.2	33%	0.327	18%	0.184	S	C	.	.	S	Bend	trans	-83	147.2	174.4	-158.9	-131.8	145.9	0	0	111.4	L70 K121 Q123 V157	L70-E155 HydrophobicContact CD2-CB 4.03Å; K121-E155 VanDerWaalsContact CA-CD 3.42Å; K121-E155 WeakPolarHBondContact CA-OE1 3.25Å; K121-E155 VanDerWaalsContact CA-OE2 3.24Å; K121-E155 WeakPolarHBondContact CA-OE2 3.45Å; K121-E155 VanDerWaalsContact CB-OE2 3.29Å; K121-E155 WeakPolarHBondContact CB-OE2 3.49Å; Q123-E155 VanDerWaalsContact O-CG 3.25Å; Q123-E155 WeakPolarHBondContact O-CG 3.16Å; E155-V157 VanDerWaalsContact C-N 3.33Å
156	P	95.8	Very high	98.4	Very high	60 Å²	60	34.5 Å²	34.5	39%	0.39	18%	0.179	S	C	.	.	S	Bend	cis	-83.3	-5.3	-17	32.8	-30.9	0	0	0	113.6	Q125 Q126	Q125-P156 PolarHBondContact N-O 3.22Å; Q126-P156 PolarHBondContact N-O 3.4Å
157	V	98.2	Very high	98.4	Very high	36 Å²	36	32.1 Å²	32.1	22%	0.218	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.7	-173.4	-179.5	0	0	0	0	110.1	Q126 L128 K154 E155 V159	Q126-V157 HydrophobicContact CB-CG1 4.41Å; Q126-V157 HydrophobicContact CB-CG2 4.44Å; L128-V157 HydrophobicContact CB-CG1 4.2Å; L128-V157 HydrophobicContact CD1-CG1 3.7Å; L128-V157 HydrophobicContact CG-CG1 3.63Å; K154-V157 WeakPolarHBondContact CG-O 3.33Å; K154-V157 CarbonylContact O-C 3.53Å; K154-V157 VanDerWaalsContact O-C 3.26Å; K154-V157 PolarHBondContact O-N 2.81Å; E155-V157 VanDerWaalsContact C-N 3.33Å; V157-V159 HydrophobicContact CG1-CG2 4.38Å
158	A	98.7	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.8	165.2	0	0	0	0	0	109.9	V124 Q126 L127 L128 L152 K154 F175	V124-A158 HydrophobicContact CG1-CB 3.98Å; Q126-A158 PolarHBondContact O-N 3.33Å; L127-A158 WeakPolarHBondContact CA-O 3.22Å; L127-A158 HydrophobicContact CD1-CB 3.74Å; L128-A158 PolarHBondContact N-O 2.6Å; L152-A158 CarbonylContact O-C 3.5Å; L152-A158 VanDerWaalsContact O-CA 3.23Å; L152-A158 WeakPolarHBondContact O-CA 3.29Å; K154-A158 PolarHBondContact O-N 3.26Å; A158-F175 HydrophobicContact CB-CE2 4.02Å
159	V	98.8	Very high	98.4	Very high	39 Å²	39	30.5 Å²	30.5	24%	0.236	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.4	-178.1	-178.5	0	0	0	0	109.9	L128 L152 V157	L128-V159 WeakPolarHBondContact O-CA 3.35Å; L152-V159 HydrophobicContact CB-CB 4.43Å; L152-V159 PolarHBondContact N-O 3.32Å; L152-V159 PolarHBondContact O-N 2.8Å; V157-V159 HydrophobicContact CG1-CG2 4.38Å
160	L	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114	167.2	171	57.4	0	0	0	108.5	L127 L128 V129 S130 Y149 L151 A168 L172	L127-L160 HydrophobicContact CD1-CB 3.99Å; L128-L160 PolarHBondContact O-N 2.87Å; V129-L160 CarbonylContact C-O 3.5Å; V129-L160 WeakPolarHBondContact CA-O 3.35Å; V129-L160 HydrophobicContact CG1-CD2 4.44Å; V129-L160 HydrophobicContact CG2-CB 4.38Å; V129-L160 HydrophobicContact CG2-CD2 4.28Å; S130-L160 PolarHBondContact N-O 3.17Å; Y149-L160 HydrophobicContact CD2-CD1 3.7Å; Y149-L160 HydrophobicContact CG-CD1 4.13Å; L151-L160 HydrophobicContact CD1-CB 3.84Å; L151-L160 HydrophobicContact CD1-CD1 4.19Å; L160-A168 HydrophobicContact CD2-CB 4.39Å; L160-A168 WeakPolarHBondContact CD2-O 3.27Å; L160-L172 HydrophobicContact CD2-CD2 4.1Å; L160-L172 HydrophobicContact CD2-CG 3.8Å
161	K	98.9	Very high	98.4	Very high	96 Å²	96	28.2 Å²	28.2	42%	0.417	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	177.7	-176.4	-178.9	-179.1	-177.5	0	110.4	S130 T132 Y149 T150	S130-K161 WeakPolarHBondContact O-CA 3.27Å; T132-K161 WeakPolarHBondContact OG1-CE 3.18Å; Y149-K161 CarbonylContact C-O 3.6Å; Y149-K161 WeakPolarHBondContact CA-O 3.36Å; T150-K161 PolarHBondContact N-O 3.09Å; T150-K161 PolarHBondContact O-N 3.33Å; T150-K161 PolarHBondContact OG1-O 2.79Å
162	A	98.8	Very high	98.4	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.4	177.2	0	0	0	0	0	110.7	S130 I131 T132 R164 A168	S130-A162 PolarHBondContact O-N 3.03Å; I131-A162 WeakPolarHBondContact CA-O 3.27Å; I131-A162 HydrophobicContact CD1-CB 4.37Å; T132-A162 PolarHBondContact N-O 3.03Å; T132-A162 PolarHBondContact OG1-O 3.29Å; A162-R164 WeakPolarHBondContact CB-O 3.45Å; A162-A168 HydrophobicContact CB-CB 4.16Å
163	N	98.6	Very high	98.4	Very high	56 Å²	56	25.1 Å²	25.1	30%	0.299	13%	0.125	S	C	.	.	S	Bend	trans	-72.3	-41.2	174.2	-76.3	-20.8	0	0	0	111.5	I131 L133 D146	I131-N163 WeakPolarHBondContact CG2-O 3.41Å; L133-N163 WeakPolarHBondContact CB-O 3.42Å; L133-N163 HydrophobicContact CD1-CB 4.08Å; L133-N163 HydrophobicContact CG-CB 4.33Å; L133-N163 PolarHBondContact N-O 2.63Å; D146-N163 WeakPolarHBondContact OD2-CB 3.42Å; D146-N163 PolarHBondContact OD2-ND2 3.39Å
164	R	98.6	Very high	98.4	Very high	51 Å²	51	25 Å²	25	19%	0.192	12%	0.124	C	C	.	.	S	Bend	trans	-132	170.1	-177.9	-51	-62.7	177.2	162.4	9.1	110.9	Q134 E136 D146 A162 W166 G167	Q134-R164 WeakPolarHBondContact O-CD 3.41Å; Q134-R164 PolarHBondContact O-NH1 2.94Å; E136-R164 WeakPolarHBondContact OE1-CD 3.31Å; E136-R164 IonicContact OE1-CZ 3.63Å; E136-R164 IonicContact OE1-NE 3.31Å; E136-R164 PolarHBondContact OE1-NE 3.41Å; E136-R164 IonicContact OE1-NH1 3.49Å; E136-R164 IonicContact OE1-NH2 2.78Å; D146-R164 HydrophobicContact CB-CG 3.92Å; A162-R164 WeakPolarHBondContact CB-O 3.45Å; R164-W166 PolarHBondContact O-N 3.27Å; R164-G167 PolarHBondContact O-N 3.15Å
165	V	98.7	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-30.4	177.4	-68.7	0	0	0	0	113.3	L93 L94 S135 E136 C137 A168 L169	L93-V165 HydrophobicContact CD1-CG2 4.33Å; L93-V165 HydrophobicContact CD2-CB 3.95Å; L93-V165 HydrophobicContact CD2-CG1 4.49Å; L93-V165 HydrophobicContact CD2-CG2 4.31Å; L94-V165 HydrophobicContact CD1-CG1 4.08Å; L94-V165 HydrophobicContact CG-CG1 4.16Å; S135-V165 VanDerWaalsContact O-CG1 3.3Å; S135-V165 WeakPolarHBondContact O-CG1 3.38Å; S135-V165 WeakPolarHBondContact O-CG2 3.28Å; S135-V165 PolarHBondContact O-N 3.02Å; E136-V165 HydrophobicContact CB-CG2 4.49Å; C137-V165 HydrophobicContact CB-CG1 4.01Å; V165-A168 WeakPolarHBondContact O-CB 3.47Å; V165-A168 PolarHBondContact O-N 3.19Å; V165-L169 PolarHBondContact O-N 3.09Å
166	W	98.8	Very high	98.6	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-48.6	-177.5	-39	116.5	0	0	0	111.8	L93 E136 A139 P141 S145 E147 R164 A168 L169 R170	L93-W166 HydrophobicContact CD1-CE3 4.45Å; L93-W166 HydrophobicContact CD1-CH2 4.13Å; L93-W166 HydrophobicContact CD1-CZ3 3.62Å; E136-W166 HydrophobicContact CB-CZ2 4.05Å; E136-W166 WeakPolarHBondContact O-CZ2 3.37Å; E136-W166 PolarHBondContact OE2-NE1 2.91Å; A139-W166 HydrophobicContact CB-CZ2 4.5Å; A139-W166 WeakPolarHBondContact O-CH2 3.44Å; P141-W166 HydrophobicContact CB-CD2 4.17Å; P141-W166 HydrophobicContact CB-CE3 4.14Å; P141-W166 HydrophobicContact CB-CH2 4.19Å; P141-W166 HydrophobicContact CB-CZ2 4.21Å; P141-W166 HydrophobicContact CB-CZ3 4.14Å; P141-W166 HydrophobicContact CG-CH2 4.4Å; P141-W166 HydrophobicContact CG-CZ3 4.27Å; S145-W166 VanDerWaalsContact CB-CD1 3.5Å; S145-W166 PolarHBondContact OG-NE1 3.29Å; E147-W166 HydrophobicContact CG-CB 4.18Å; R164-W166 PolarHBondContact O-N 3.27Å; W166-A168 VanDerWaalsContact C-N 3.29Å; W166-A168 PolarHBondContact O-N 3.15Å; W166-L169 WeakPolarHBondContact O-CB 3.42Å; W166-L169 PolarHBondContact O-N 3.11Å; W166-L169 VanDerWaalsContact O-N 3.15Å; W166-R170 WeakPolarHBondContact O-CG 3.36Å; W166-R170 PolarHBondContact O-N 3.33Å
167	G	98.8	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-35.7	174.6	0	0	0	0	0	113.1	D146 E147 Y149 R164 L169 R170 G171	D146-G167 PolarHBondContact O-N 2.85Å; E147-G167 WeakPolarHBondContact O-CA 3.27Å; Y149-G167 WeakPolarHBondContact CB-O 3.41Å; Y149-G167 WeakPolarHBondContact CD1-O 3.24Å; R164-G167 PolarHBondContact O-N 3.15Å; G167-L169 PolarHBondContact O-N 2.95Å; G167-R170 PolarHBondContact O-N 3.28Å; G167-G171 PolarHBondContact O-N 2.97Å
168	A	98.9	Very high	98.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.4	-38.9	174.6	0	0	0	0	0	112.2	L94 V129 I131 L160 A162 V165 W166 R170 G171 L172	L94-A168 HydrophobicContact CD2-CB 4.08Å; V129-A168 HydrophobicContact CG1-CB 3.93Å; I131-A168 HydrophobicContact CD1-CB 3.58Å; L160-A168 HydrophobicContact CD2-CB 4.39Å; L160-A168 WeakPolarHBondContact CD2-O 3.27Å; A162-A168 HydrophobicContact CB-CB 4.16Å; V165-A168 WeakPolarHBondContact O-CB 3.47Å; V165-A168 PolarHBondContact O-N 3.19Å; W166-A168 VanDerWaalsContact C-N 3.29Å; W166-A168 PolarHBondContact O-N 3.15Å; A168-R170 VanDerWaalsContact C-N 3.29Å; A168-R170 PolarHBondContact O-N 3.33Å; A168-G171 PolarHBondContact O-N 3.27Å; A168-L172 WeakPolarHBondContact O-CB 3.11Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.41Å; A168-L172 PolarHBondContact O-N 2.89Å
169	L	98.9	Very high	98.6	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-39.4	173.6	-66.7	-175.1	0	0	0	112.6	L93 L94 A97 Y101 V165 W166 G167 E173 R281	L93-L169 HydrophobicContact CD1-CD1 4.45Å; L93-L169 HydrophobicContact CD2-CD1 3.9Å; L93-L169 HydrophobicContact CD2-CD2 3.78Å; L93-L169 HydrophobicContact CD2-CG 3.92Å; L93-L169 HydrophobicContact CG-CD1 4.39Å; L94-L169 HydrophobicContact CD2-CD2 4.44Å; A97-L169 HydrophobicContact CB-CD2 3.6Å; Y101-L169 PolarHBondContact OH-O 2.82Å; V165-L169 PolarHBondContact O-N 3.09Å; W166-L169 WeakPolarHBondContact O-CB 3.42Å; W166-L169 PolarHBondContact O-N 3.11Å; W166-L169 VanDerWaalsContact O-N 3.15Å; G167-L169 PolarHBondContact O-N 2.95Å; L169-E173 PolarHBondContact O-N 3.11Å; L169-R281 VanDerWaalsContact CD1-C 3.4Å
170	R	98.9	Very high	98.3	Very high	5 Å²	5	13.7 Å²	13.7	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-69.2	-41.2	177.7	-54.7	-61.6	176.2	-107.7	-4.4	111.7	E147 Y149 W166 G167 A168 E173 T174 K230 R281 G282 W514	E147-R170 HydrophobicContact CB-CG 4.43Å; E147-R170 IonicContact OE2-CZ 3.51Å; E147-R170 IonicContact OE2-NE 3.02Å; E147-R170 PolarHBondContact OE2-NE 3.07Å; E147-R170 IonicContact OE2-NH2 3.55Å; E147-R170 PolarHBondContact OE2-NH2 3.28Å; Y149-R170 HydrophobicContact CD1-CB 3.87Å; Y149-R170 HydrophobicContact CE1-CB 3.68Å; W166-R170 WeakPolarHBondContact O-CG 3.36Å; W166-R170 PolarHBondContact O-N 3.33Å; G167-R170 PolarHBondContact O-N 3.28Å; A168-R170 VanDerWaalsContact C-N 3.29Å; A168-R170 PolarHBondContact O-N 3.33Å; R170-E173 PolarHBondContact O-N 2.93Å; R170-T174 PolarHBondContact O-N 3.31Å; R170-T174 PolarHBondContact O-OG1 2.62Å; R170-K230 HydrophobicContact CB-CD 4.31Å; R170-K230 WeakPolarHBondContact O-CE 3.3Å; R170-R281 PolarHBondContact NH1-O 2.69Å; R170-G282 PolarHBondContact NH2-O 3.04Å; R170-W514 HydrophobicContact CB-CH2 3.85Å; R170-W514 HydrophobicContact CB-CZ2 4.46Å; R170-W514 HydrophobicContact CG-CH2 3.65Å; R170-W514 HydrophobicContact CG-CZ3 4.01Å
171	G	98.8	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-32.2	177.2	0	0	0	0	0	114	Y149 G167 A168 T174 F175	Y149-G171 VanDerWaalsContact CD2-CA 3.43Å; G167-G171 PolarHBondContact O-N 2.97Å; A168-G171 PolarHBondContact O-N 3.27Å; G171-T174 PolarHBondContact O-N 3.28Å; G171-F175 WeakPolarHBondContact O-CB 3.33Å; G171-F175 PolarHBondContact O-N 2.93Å
172	L	98.9	Very high	97.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-65	-41.5	171.6	-74.3	168.2	0	0	0	111.9	I79 A97 F98 Y101 L127 V129 L160 A168 F175 S176	I79-L172 HydrophobicContact CD1-CD2 4.22Å; I79-L172 HydrophobicContact CG2-CD2 4.01Å; A97-L172 HydrophobicContact CB-CD1 3.7Å; F98-L172 HydrophobicContact CD1-CD1 4.02Å; F98-L172 HydrophobicContact CD1-CD2 4.43Å; F98-L172 HydrophobicContact CE1-CD1 4.09Å; Y101-L172 HydrophobicContact CD1-CB 4.48Å; Y101-L172 HydrophobicContact CD2-CB 3.47Å; Y101-L172 VanDerWaalsContact CD2-CB 3.47Å; Y101-L172 HydrophobicContact CD2-CD1 3.92Å; Y101-L172 HydrophobicContact CD2-CG 4.19Å; Y101-L172 HydrophobicContact CE2-CB 3.45Å; Y101-L172 VanDerWaalsContact CE2-CB 3.45Å; Y101-L172 HydrophobicContact CE2-CD1 4.17Å; Y101-L172 HydrophobicContact CE2-CG 4.44Å; Y101-L172 HydrophobicContact CG-CB 4Å; L127-L172 HydrophobicContact CD2-CD2 3.82Å; V129-L172 HydrophobicContact CG2-CD2 4.39Å; L160-L172 HydrophobicContact CD2-CD2 4.1Å; L160-L172 HydrophobicContact CD2-CG 3.8Å; A168-L172 WeakPolarHBondContact O-CB 3.11Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.41Å; A168-L172 PolarHBondContact O-N 2.89Å; L172-F175 PolarHBondContact O-N 3.42Å; L172-S176 PolarHBondContact O-N 3.36Å
173	E	98.9	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.5	-55.5	171	177.6	54.2	-146.9	0	0	109.3	Y101 L169 R170 F175 S176 Q177 F228 R539	Y101-E173 HydrophobicContact CE1-CB 4.15Å; Y101-E173 WeakPolarHBondContact CE1-OE2 3.38Å; Y101-E173 WeakPolarHBondContact OH-CB 3.35Å; L169-E173 PolarHBondContact O-N 3.11Å; R170-E173 PolarHBondContact O-N 2.93Å; E173-F175 VanDerWaalsContact C-N 3.32Å; E173-F175 PolarHBondContact O-N 3.03Å; E173-S176 WeakPolarHBondContact O-CA 3.44Å; E173-S176 WeakPolarHBondContact O-CB 3.36Å; E173-S176 PolarHBondContact O-N 3.36Å; E173-S176 PolarHBondContact O-OG 2.67Å; E173-Q177 HydrophobicContact CG-CG 4.45Å; E173-Q177 WeakPolarHBondContact O-CG 3.37Å; E173-Q177 PolarHBondContact O-N 2.82Å; E173-Q177 VanDerWaalsContact O-N 3.11Å; E173-Q177 VanDerWaalsContact OE1-CG 3.3Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.3Å; E173-Q177 PolarHBondContact OE1-NE2 3.09Å; E173-F228 WeakPolarHBondContact OE2-CD1 3.29Å; E173-R539 IonicContact OE1-CZ 3.91Å; E173-R539 IonicContact OE1-NH1 3.43Å; E173-R539 PolarHBondContact OE1-NH1 3.06Å; E173-R539 VanDerWaalsContact OE1-NH1 3.13Å; E173-R539 IonicContact OE1-NH2 3.78Å; E173-R539 IonicContact OE2-CZ 3.92Å; E173-R539 IonicContact OE2-NH1 3.81Å; E173-R539 PolarHBondContact OE2-NH1 3.13Å
174	T	98.9	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.7	-43.6	-179.5	-61	0	0	0	0	112.8	L56 P60 Y149 L151 R170 G171 S176 Q177 L178 I194 K230	L56-T174 HydrophobicContact CD2-CG2 4.02Å; P60-T174 HydrophobicContact CG-CG2 4.17Å; Y149-T174 HydrophobicContact CE2-CG2 4.45Å; Y149-T174 WeakPolarHBondContact OH-CB 3.48Å; Y149-T174 PolarHBondContact OH-OG1 3.45Å; L151-T174 HydrophobicContact CD2-CG2 4.31Å; R170-T174 PolarHBondContact O-N 3.31Å; R170-T174 PolarHBondContact O-OG1 2.62Å; G171-T174 PolarHBondContact O-N 3.28Å; T174-S176 VanDerWaalsContact C-N 3.33Å; T174-S176 PolarHBondContact O-N 3.47Å; T174-Q177 WeakPolarHBondContact O-CB 3.1Å; T174-Q177 PolarHBondContact O-N 3.1Å; T174-Q177 VanDerWaalsContact O-N 3.1Å; T174-L178 PolarHBondContact O-N 2.8Å; T174-I194 HydrophobicContact CG2-CD1 3.74Å; T174-K230 VanDerWaalsContact OG1-CE 3.28Å; T174-K230 WeakPolarHBondContact OG1-CE 3.36Å; T174-K230 PolarHBondContact OG1-NZ 2.71Å
175	F	98.8	Very high	95.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-58.7	-44.9	175.4	-178.9	-92.1	0	0	0	111.6	L72 F77 I105 L127 L151 V153 A158 G171 L172 E173 Q177 L178 V179 I189	L72-F175 HydrophobicContact CD2-CE1 4.42Å; L72-F175 HydrophobicContact CD2-CZ 4.23Å; F77-F175 HydrophobicContact CE1-CE1 4.29Å; F77-F175 HydrophobicContact CE2-CE1 4.3Å; F77-F175 AromaticContact CE2-CZ 3.96Å; F77-F175 HydrophobicContact CE2-CZ 3.96Å; F77-F175 AromaticContact CZ-CE1 3.57Å; F77-F175 HydrophobicContact CZ-CE1 3.57Å; F77-F175 AromaticContact CZ-CZ 3.66Å; F77-F175 HydrophobicContact CZ-CZ 3.66Å; I105-F175 HydrophobicContact CD1-CD1 3.98Å; I105-F175 HydrophobicContact CD1-CE1 3.96Å; L127-F175 HydrophobicContact CB-CZ 4.4Å; L127-F175 HydrophobicContact CD1-CD2 4.12Å; L127-F175 HydrophobicContact CD1-CE2 4.14Å; L127-F175 HydrophobicContact CD2-CB 4.27Å; L127-F175 HydrophobicContact CD2-CD1 3.78Å; L127-F175 HydrophobicContact CD2-CD2 4.04Å; L127-F175 HydrophobicContact CD2-CE1 4.09Å; L127-F175 HydrophobicContact CD2-CE2 4.32Å; L127-F175 HydrophobicContact CD2-CG 3.75Å; L127-F175 HydrophobicContact CD2-CZ 4.35Å; L151-F175 HydrophobicContact CD1-CB 4.29Å; L151-F175 HydrophobicContact CD1-CD2 4.02Å; L151-F175 HydrophobicContact CD2-CB 3.83Å; L151-F175 HydrophobicContact CD2-CD2 4.14Å; L151-F175 HydrophobicContact CG-CD2 4.49Å; V153-F175 HydrophobicContact CG2-CD2 4.18Å; V153-F175 HydrophobicContact CG2-CE2 4.24Å; A158-F175 HydrophobicContact CB-CE2 4.02Å; G171-F175 WeakPolarHBondContact O-CB 3.33Å; G171-F175 PolarHBondContact O-N 2.93Å; L172-F175 PolarHBondContact O-N 3.42Å; E173-F175 VanDerWaalsContact C-N 3.32Å; E173-F175 PolarHBondContact O-N 3.03Å; F175-Q177 PolarHBondContact O-N 3.41Å; F175-L178 WeakPolarHBondContact O-CB 3.34Å; F175-L178 PolarHBondContact O-N 3.06Å; F175-L178 VanDerWaalsContact O-N 3.09Å; F175-V179 HydrophobicContact CE1-CG2 4.28Å; F175-V179 PolarHBondContact O-N 3.36Å; F175-I189 HydrophobicContact CD2-CD1 4.23Å; F175-I189 HydrophobicContact CE2-CD1 3.81Å; F175-I189 HydrophobicContact CZ-CD1 4.17Å
176	S	98.2	Very high	94.8	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-24.8	177.3	78.5	0	0	0	0	113.6	L172 E173 T174 R539	L172-S176 PolarHBondContact O-N 3.36Å; E173-S176 WeakPolarHBondContact O-CA 3.44Å; E173-S176 WeakPolarHBondContact O-CB 3.36Å; E173-S176 PolarHBondContact O-N 3.36Å; E173-S176 PolarHBondContact O-OG 2.67Å; T174-S176 VanDerWaalsContact C-N 3.33Å; T174-S176 PolarHBondContact O-N 3.47Å; S176-R539 PolarHBondContact OG-NH2 2.85Å
177	Q	97.9	Very high	94.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-82.8	-17.3	176.8	-58.3	-175.1	-7.3	0	0	113.4	A55 L56 W57 E173 T174 F175 R535	A55-Q177 PolarHBondContact N-O 2.05Å; L56-Q177 HydrophobicContact CD2-CB 3.96Å; W57-Q177 PolarHBondContact O-NE2 2.85Å; W57-Q177 PolarHBondContact O-OE1 3.49Å; E173-Q177 HydrophobicContact CG-CG 4.45Å; E173-Q177 WeakPolarHBondContact O-CG 3.37Å; E173-Q177 PolarHBondContact O-N 2.82Å; E173-Q177 VanDerWaalsContact O-N 3.11Å; E173-Q177 VanDerWaalsContact OE1-CG 3.3Å; E173-Q177 WeakPolarHBondContact OE1-CG 3.3Å; E173-Q177 PolarHBondContact OE1-NE2 3.09Å; T174-Q177 WeakPolarHBondContact O-CB 3.1Å; T174-Q177 PolarHBondContact O-N 3.1Å; T174-Q177 VanDerWaalsContact O-N 3.1Å; F175-Q177 PolarHBondContact O-N 3.41Å; Q177-R535 VanDerWaalsContact CG-CZ 3.42Å; Q177-R535 VanDerWaalsContact CG-NH2 3.32Å; Q177-R535 VanDerWaalsContact NE2-NH2 3.19Å
178	L	97.9	Very high	94.3	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-80.4	-26.9	175.8	-69.9	174.5	0	0	0	112.4	P54 L56 L151 V153 T174 F175 Y180 I189 I194	P54-L178 HydrophobicContact CB-CD2 3.91Å; P54-L178 HydrophobicContact CG-CD2 4.46Å; L56-L178 HydrophobicContact CD1-CD2 4.23Å; L56-L178 HydrophobicContact CD2-CD2 3.79Å; L56-L178 HydrophobicContact CD2-CG 4.14Å; L56-L178 HydrophobicContact CG-CD2 4.29Å; L151-L178 HydrophobicContact CD2-CD1 3.79Å; V153-L178 HydrophobicContact CG2-CD1 3.9Å; T174-L178 PolarHBondContact O-N 2.8Å; F175-L178 WeakPolarHBondContact O-CB 3.34Å; F175-L178 PolarHBondContact O-N 3.06Å; F175-L178 VanDerWaalsContact O-N 3.09Å; L178-Y180 WeakPolarHBondContact O-CD1 3.2Å; L178-I189 HydrophobicContact CB-CD1 3.68Å; L178-I189 HydrophobicContact CB-CG1 3.81Å; L178-I189 HydrophobicContact CD1-CD1 4.41Å; L178-I194 HydrophobicContact CD1-CD1 3.91Å; L178-I194 HydrophobicContact CD2-CD1 4.25Å; L178-I194 HydrophobicContact CG-CD1 4.45Å
179	V	96.4	Very high	94.2	Very high	20 Å²	20	27 Å²	27	12%	0.121	14%	0.142	C	C	.	.			trans	-75.6	131.5	176.4	-175	0	0	0	0	109.5	L72 I105 F175 F187 T188 I189	L72-V179 HydrophobicContact CD1-CG1 4.26Å; L72-V179 HydrophobicContact CD1-CG2 4.22Å; L72-V179 HydrophobicContact CD2-CG2 4.06Å; I105-V179 HydrophobicContact CG2-CB 4.24Å; I105-V179 HydrophobicContact CG2-CG1 3.91Å; I105-V179 HydrophobicContact CG2-CG2 4.2Å; F175-V179 HydrophobicContact CE1-CG2 4.28Å; F175-V179 PolarHBondContact O-N 3.36Å; V179-F187 HydrophobicContact CG1-CB 4.32Å; V179-F187 HydrophobicContact CG1-CD1 3.95Å; V179-T188 WeakPolarHBondContact CA-O 3.48Å; V179-I189 HydrophobicContact CG2-CD1 4.03Å
180	Y	92.8	Very high	94.1	Very high	37 Å²	37	28.1 Å²	28.1	15%	0.145	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	166.3	173.1	59.9	-86	0	0	0	110.1	P52 G53 L69 L178 T188 N190	P52-Y180 HydrophobicContact CB-CD2 4.28Å; P52-Y180 HydrophobicContact CB-CE2 4.43Å; G53-Y180 VanDerWaalsContact C-CD1 3.48Å; G53-Y180 WeakPolarHBondContact O-CB 3.27Å; L69-Y180 WeakPolarHBondContact CD2-OH 3.27Å; L178-Y180 WeakPolarHBondContact O-CD1 3.2Å; Y180-T188 WeakPolarHBondContact CD1-O 3.36Å; Y180-T188 HydrophobicContact CE1-CG2 4.28Å; Y180-T188 HydrophobicContact CE2-CG2 3.87Å; Y180-T188 PolarHBondContact N-O 2.73Å; Y180-T188 PolarHBondContact O-N 2.85Å; Y180-T188 WeakPolarHBondContact OH-CG2 3.21Å; Y180-N190 WeakPolarHBondContact CE1-OD1 3.09Å; Y180-N190 PolarHBondContact OH-OD1 3.11Å
181	Q	90	Very high	94	Very high	79 Å²	79	31 Å²	31	37%	0.369	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.7	170.1	-68.5	-178.5	-75.2	0	0	109.6	G185 T186 F187	Q181-G185 PolarHBondContact NE2-O 3.3Å; Q181-T186 WeakPolarHBondContact CA-O 3.23Å; Q181-F187 HydrophobicContact CG-CD1 3.79Å; Q181-F187 HydrophobicContact CG-CE1 3.74Å; Q181-F187 HydrophobicContact CG-CG 4.39Å; Q181-F187 HydrophobicContact CG-CZ 4.31Å
182	D	86.7	Confident	94	Very high	48 Å²	48	31.2 Å²	31.2	26%	0.257	16%	0.164	S	C	.	.			trans	-75.9	-176.7	168.4	72.3	7.1	0	0	0	111.4	Y184 G185 T186	D182-Y184 PolarHBondContact O-N 3.34Å; D182-Y184 VanDerWaalsContact O-N 3.12Å; D182-Y184 WeakPolarHBondContact OD1-CA 3.36Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.4Å; D182-Y184 PolarHBondContact OD1-N 2.97Å; D182-G185 PolarHBondContact O-N 2.69Å; D182-G185 PolarHBondContact OD1-N 2.85Å; D182-G185 VanDerWaalsContact OD1-N 3.08Å; D182-T186 PolarHBondContact N-O 3.46Å; D182-T186 WeakPolarHBondContact OD1-CB 3.47Å; D182-T186 PolarHBondContact OD1-N 3.31Å; D182-T186 PolarHBondContact OD1-OG1 3.24Å; D182-T186 WeakPolarHBondContact OD2-CB 3.41Å; D182-T186 PolarHBondContact OD2-OG1 3.22Å
183	S	84.7	Confident	94	Very high	114 Å²	114	33.9 Å²	33.9	80%	0.797	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.6	179.1	-57.2	0	0	0	0	114.5
184	Y	84.6	Confident	94	Very high	182 Å²	182	33.9 Å²	33.9	71%	0.714	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	1.4	177.6	-53.6	-67.9	0	0	0	112.5	H113 D182 T186	H113-Y184 PolarHBondContact CD2-O 2.93Å; H113-Y184 VanDerWaalsContact CD2-O 3.27Å; D182-Y184 PolarHBondContact O-N 3.34Å; D182-Y184 VanDerWaalsContact O-N 3.12Å; D182-Y184 WeakPolarHBondContact OD1-CA 3.36Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.4Å; D182-Y184 PolarHBondContact OD1-N 2.97Å; Y184-T186 VanDerWaalsContact C-N 3.32Å
185	G	84.3	Confident	94	Very high	22 Å²	22	38 Å²	38	23%	0.227	20%	0.201	C	C	.	.			trans	82.4	6.2	-176.5	0	0	0	0	0	114.2	Q181 D182 F187	Q181-G185 PolarHBondContact NE2-O 3.3Å; D182-G185 PolarHBondContact O-N 2.69Å; D182-G185 PolarHBondContact OD1-N 2.85Å; D182-G185 VanDerWaalsContact OD1-N 3.08Å; G185-F187 PolarHBondContact O-N 3.35Å
186	T	88.3	Confident	94	Very high	26 Å²	26	38.1 Å²	38.1	16%	0.16	20%	0.201	C	C	.	.			trans	-70.7	121	-179.5	-45.4	0	0	0	0	110.2	A116 F118 Q181 D182 Y184 T188	A116-T186 HydrophobicContact CB-CG2 4.38Å; F118-T186 HydrophobicContact CE1-CG2 3.78Å; Q181-T186 WeakPolarHBondContact CA-O 3.23Å; D182-T186 PolarHBondContact N-O 3.46Å; D182-T186 WeakPolarHBondContact OD1-CB 3.47Å; D182-T186 PolarHBondContact OD1-N 3.31Å; D182-T186 PolarHBondContact OD1-OG1 3.24Å; D182-T186 WeakPolarHBondContact OD2-CB 3.41Å; D182-T186 PolarHBondContact OD2-OG1 3.22Å; Y184-T186 VanDerWaalsContact C-N 3.32Å; T186-T188 PolarHBondContact O-N 2.96Å; T186-T188 VanDerWaalsContact O-N 3.15Å; T186-T188 PolarHBondContact O-OG1 3.46Å
187	F	93	Very high	94	Very high	12 Å²	12	40 Å²	40	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	115.7	172.8	-67.7	-79.4	0	0	0	110.2	H71 L72 P74 I105 F106 Y109 V179 Q181 G185	H71-F187 VanDerWaalsContact CA-O 3.27Å; H71-F187 WeakPolarHBondContact CA-O 3.22Å; L72-F187 HydrophobicContact CB-CB 4.12Å; L72-F187 PolarHBondContact N-O 2.59Å; P74-F187 HydrophobicContact CG-CD2 3.67Å; P74-F187 HydrophobicContact CG-CE2 3.54Å; I105-F187 VanDerWaalsContact O-CE1 3.22Å; I105-F187 WeakPolarHBondContact O-CE1 3.1Å; F106-F187 HydrophobicContact CD1-CD1 4.11Å; F106-F187 AromaticContact CD1-CD2 3.97Å; F106-F187 HydrophobicContact CD1-CD2 3.97Å; F106-F187 AromaticContact CD1-CE1 3.99Å; F106-F187 HydrophobicContact CD1-CE1 3.99Å; F106-F187 AromaticContact CD1-CE2 3.83Å; F106-F187 HydrophobicContact CD1-CE2 3.83Å; F106-F187 HydrophobicContact CD1-CG 4.1Å; F106-F187 AromaticContact CD1-CZ 3.85Å; F106-F187 HydrophobicContact CD1-CZ 3.85Å; F106-F187 HydrophobicContact CE1-CB 4.45Å; F106-F187 HydrophobicContact CE1-CD1 4.25Å; F106-F187 HydrophobicContact CE1-CD2 4.12Å; F106-F187 HydrophobicContact CE1-CE2 4.45Å; F106-F187 HydrophobicContact CE1-CG 4.01Å; Y109-F187 AromaticContact CD2-CE2 3.39Å; Y109-F187 HydrophobicContact CD2-CE2 3.39Å; Y109-F187 AromaticContact CD2-CZ 3.83Å; Y109-F187 HydrophobicContact CD2-CZ 3.83Å; Y109-F187 AromaticContact CE2-CE2 3.87Å; Y109-F187 HydrophobicContact CE2-CE2 3.87Å; Y109-F187 AromaticContact CG-CE2 3.97Å; Y109-F187 HydrophobicContact CG-CE2 3.97Å; Y109-F187 HydrophobicContact CG-CZ 4.25Å; V179-F187 HydrophobicContact CG1-CB 4.32Å; V179-F187 HydrophobicContact CG1-CD1 3.95Å; Q181-F187 HydrophobicContact CG-CD1 3.79Å; Q181-F187 HydrophobicContact CG-CE1 3.74Å; Q181-F187 HydrophobicContact CG-CG 4.39Å; Q181-F187 HydrophobicContact CG-CZ 4.31Å; G185-F187 PolarHBondContact O-N 3.35Å
188	T	94	Very high	94	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.3	-171.6	-56.5	0	0	0	0	109.6	L69 L70 H71 V179 Y180 T186	L69-T188 HydrophobicContact CB-CG2 4.21Å; L69-T188 HydrophobicContact CD1-CG2 4.47Å; L69-T188 HydrophobicContact CD2-CG2 4.04Å; L69-T188 HydrophobicContact CG-CG2 4.47Å; L70-T188 CarbonylContact O-C 3.26Å; L70-T188 WeakPolarHBondContact O-CA 3.31Å; H71-T188 PolarHBondContact ND1-OG1 3.36Å; V179-T188 WeakPolarHBondContact CA-O 3.48Å; Y180-T188 WeakPolarHBondContact CD1-O 3.36Å; Y180-T188 HydrophobicContact CE1-CG2 4.28Å; Y180-T188 HydrophobicContact CE2-CG2 3.87Å; Y180-T188 PolarHBondContact N-O 2.73Å; Y180-T188 PolarHBondContact O-N 2.85Å; Y180-T188 WeakPolarHBondContact OH-CG2 3.21Å; T186-T188 PolarHBondContact O-N 2.96Å; T186-T188 VanDerWaalsContact O-N 3.15Å; T186-T188 PolarHBondContact O-OG1 3.46Å
189	I	96.8	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.1	175.2	-166.9	170.4	0	0	0	109.1	L70 L72 V124 V153 F175 L178 V179	L70-I189 HydrophobicContact CB-CG2 3.89Å; L70-I189 PolarHBondContact N-O 3.05Å; L70-I189 PolarHBondContact O-N 3.14Å; L70-I189 VanDerWaalsContact O-O 3.14Å; L72-I189 HydrophobicContact CD1-CB 3.86Å; L72-I189 HydrophobicContact CD1-CG2 3.55Å; V124-I189 HydrophobicContact CG2-CG2 4.2Å; V153-I189 HydrophobicContact CB-CD1 4.49Å; V153-I189 HydrophobicContact CG1-CD1 3.64Å; V153-I189 HydrophobicContact CG1-CG1 3.92Å; V153-I189 HydrophobicContact CG1-CG2 4.03Å; V153-I189 HydrophobicContact CG2-CD1 4.07Å; F175-I189 HydrophobicContact CD2-CD1 4.23Å; F175-I189 HydrophobicContact CE2-CD1 3.81Å; F175-I189 HydrophobicContact CZ-CD1 4.17Å; L178-I189 HydrophobicContact CB-CD1 3.68Å; L178-I189 HydrophobicContact CB-CG1 3.81Å; L178-I189 HydrophobicContact CD1-CD1 4.41Å; V179-I189 HydrophobicContact CG2-CD1 4.03Å
190	N	96.6	Very high	94.2	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139.3	174.8	-75.2	61.9	0	0	0	110.6	T66 N68 L69 Y180 S192	T66-N190 PolarHBondContact O-ND2 3.09Å; N68-N190 WeakPolarHBondContact O-CA 3.27Å; L69-N190 WeakPolarHBondContact CD2-OD1 3.38Å; Y180-N190 WeakPolarHBondContact CE1-OD1 3.09Å; Y180-N190 PolarHBondContact OH-OD1 3.11Å; N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact O-OG 3.43Å
191	E	97.8	Very high	94.5	Very high	67 Å²	67	43.9 Å²	43.9	31%	0.313	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	128.4	166.7	-174.9	-168	-179.3	0	0	108.9	T66 N68 L70 V153	T66-E191 PolarHBondContact N-O 2.86Å; T66-E191 WeakPolarHBondContact OG1-CB 3.23Å; T66-E191 PolarHBondContact OG1-O 2.86Å; N68-E191 HydrophobicContact CB-CB 4.06Å; N68-E191 PolarHBondContact ND2-OE2 2.9Å; N68-E191 PolarHBondContact O-N 3.5Å; L70-E191 HydrophobicContact CD1-CB 4.22Å; V153-E191 WeakPolarHBondContact O-CA 3.21Å; V153-E191 WeakPolarHBondContact O-CG 3.26Å
192	S	98.4	Very high	94.9	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	157.4	-170.5	56.6	0	0	0	0	113.6	K64 V153 N190	K64-S192 CarbonylContact O-C 3.53Å; K64-S192 WeakPolarHBondContact O-CA 3.49Å; K64-S192 WeakPolarHBondContact O-CB 3.28Å; V153-S192 PolarHBondContact N-O 3.42Å; V153-S192 PolarHBondContact O-N 3.18Å; V153-S192 VanDerWaalsContact O-N 3.07Å; N190-S192 PolarHBondContact O-N 2.77Å; N190-S192 PolarHBondContact O-OG 3.43Å
193	T	98.7	Very high	95.5	Very high	57 Å²	57	38 Å²	38	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.4	170.8	-65.9	0	0	0	0	109	K64 L151 L152	K64-T193 PolarHBondContact N-O 3.49Å; K64-T193 PolarHBondContact O-N 3.2Å; L151-T193 WeakPolarHBondContact O-CA 3.03Å; L152-T193 HydrophobicContact CD2-CG2 3.61Å; L152-T193 WeakPolarHBondContact CD2-OG1 3.48Å
194	I	98.8	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.5	177	-62.6	178	0	0	0	109.4	L56 P60 S62 V63 Y149 T150 L151 T174 L178 D196	L56-I194 HydrophobicContact CD1-CD1 4.35Å; P60-I194 HydrophobicContact CB-CG2 3.59Å; P60-I194 HydrophobicContact CG-CD1 4.42Å; P60-I194 HydrophobicContact CG-CG2 3.9Å; S62-I194 VanDerWaalsContact O-CA 3.32Å; S62-I194 WeakPolarHBondContact O-CA 3.42Å; V63-I194 HydrophobicContact CG1-CG1 4.28Å; V63-I194 HydrophobicContact CG2-CD1 4.48Å; V63-I194 HydrophobicContact CG2-CG1 4.31Å; Y149-I194 HydrophobicContact CE2-CG2 4.38Å; T150-I194 CarbonylContact C-O 3.5Å; T150-I194 VanDerWaalsContact CA-O 3.27Å; T150-I194 WeakPolarHBondContact CA-O 3.33Å; L151-I194 HydrophobicContact CB-CB 4.22Å; L151-I194 PolarHBondContact N-O 3.33Å; L151-I194 PolarHBondContact O-N 2.78Å; T174-I194 HydrophobicContact CG2-CD1 3.74Å; L178-I194 HydrophobicContact CD1-CD1 3.91Å; L178-I194 HydrophobicContact CD2-CD1 4.25Å; L178-I194 HydrophobicContact CG-CD1 4.45Å; I194-D196 HydrophobicContact CG2-CB 4.14Å
195	I	98.9	Very high	96.9	Very high	87 Å²	87	23.9 Å²	23.9	45%	0.446	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.1	169.3	-58.5	175.8	0	0	0	105.9	S62 T150	S62-I195 PolarHBondContact N-O 2.88Å; S62-I195 PolarHBondContact O-N 3.43Å; T150-I195 HydrophobicContact CG2-CB 4.42Å; T150-I195 HydrophobicContact CG2-CG1 4.02Å; T150-I195 HydrophobicContact CG2-CG2 4.2Å
196	D	98.9	Very high	97.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.3	-169.6	-161	20.9	0	0	0	113	P60 L61 S148 Y149 I194 W514	P60-D196 VanDerWaalsContact CA-OD1 3.26Å; P60-D196 WeakPolarHBondContact CA-OD1 3.34Å; P60-D196 HydrophobicContact CB-CB 3.93Å; P60-D196 VanDerWaalsContact CB-CG 3.49Å; L61-D196 PolarHBondContact N-OD1 2.93Å; S148-D196 WeakPolarHBondContact CA-O 3.23Å; Y149-D196 HydrophobicContact CD1-CB 4.26Å; Y149-D196 HydrophobicContact CE1-CB 3.59Å; Y149-D196 WeakPolarHBondContact CE1-OD2 3.2Å; Y149-D196 HydrophobicContact CE2-CB 4.04Å; Y149-D196 VanDerWaalsContact CZ-CB 3.44Å; Y149-D196 PolarHBondContact N-O 3.46Å; Y149-D196 PolarHBondContact O-N 3.43Å; Y149-D196 WeakPolarHBondContact OH-CB 3.18Å; Y149-D196 PolarHBondContact OH-OD2 3.45Å; I194-D196 HydrophobicContact CG2-CB 4.14Å; D196-W514 VanDerWaalsContact CG-NE1 3.35Å; D196-W514 PolarHBondContact OD1-NE1 2.02Å; D196-W514 WeakPolarHBondContact OD2-CZ2 3Å; D196-W514 PolarHBondContact OD2-NE1 3.24Å
197	S	98.8	Very high	98.1	Very high	45 Å²	45	21.7 Å²	21.7	32%	0.315	12%	0.118	S	C	.	.			trans	-165.6	147.1	177.1	57.2	0	0	0	0	108.7
198	P	98.8	Very high	98.3	Very high	29 Å²	29	21.3 Å²	21.3	19%	0.188	12%	0.116	C	C	.	.			trans	-68.9	144.7	-179.5	29.5	-35.3	0	0	0	112	E147 R203 W514	E147-P198 HydrophobicContact CB-CG 3.97Å; P198-R203 VanDerWaalsContact CB-NH1 3.28Å; P198-W514 HydrophobicContact CB-CD2 4.09Å; P198-W514 HydrophobicContact CB-CE3 3.69Å; P198-W514 HydrophobicContact CB-CH2 4.26Å; P198-W514 HydrophobicContact CB-CZ3 3.78Å; P198-W514 HydrophobicContact CG-CH2 4.37Å; P198-W514 HydrophobicContact CG-CZ3 4.16Å
199	R	98.8	Very high	98.6	Very high	62 Å²	62	21.1 Å²	21.1	23%	0.234	12%	0.115	C	C	.	.	S	Bend	trans	-65.9	-40.2	170.1	-176.7	178.9	179.5	-163.2	-1.5	112.5	E467 W514 S515	R199-E467 IonicContact CZ-OE1 3.13Å; R199-E467 IonicContact CZ-OE2 3.68Å; R199-E467 IonicContact NH1-OE1 2.68Å; R199-E467 IonicContact NH1-OE2 2.79Å; R199-E467 PolarHBondContact NH1-OE2 3.21Å; R199-E467 IonicContact NH2-OE1 2.72Å; R199-E467 PolarHBondContact NH2-OE1 2.98Å; R199-E467 IonicContact NH2-OE2 3.88Å; R199-E467 PolarHBondContact NH2-OE2 2.81Å; R199-W514 WeakPolarHBondContact CB-O 3.41Å; R199-W514 PolarHBondContact N-O 2.87Å; R199-S515 WeakPolarHBondContact CD-O 3.34Å
200	F	98.8	Very high	98.7	Very high	15 Å²	15	21.1 Å²	21.1	7%	0.066	12%	0.115	C	C	.	.			trans	-129.1	143.2	179	-57.2	-67.7	0	0	0	111.4	R203 P468 L469 F481 I482 L513	F200-R203 PolarHBondContact O-NH1 2.81Å; F200-P468 HydrophobicContact CE2-CG 4.41Å; F200-L469 HydrophobicContact CE1-CD1 4.15Å; F200-L469 HydrophobicContact CE1-CD2 4.1Å; F200-L469 HydrophobicContact CE1-CG 4.25Å; F200-L469 HydrophobicContact CZ-CD1 4.05Å; F200-L469 HydrophobicContact CZ-CD2 4.17Å; F200-L469 HydrophobicContact CZ-CG 3.93Å; F200-F481 AromaticContact CD1-CD1 3.7Å; F200-F481 HydrophobicContact CD1-CD1 3.7Å; F200-F481 AromaticContact CD1-CE1 3.94Å; F200-F481 HydrophobicContact CD1-CE1 3.94Å; F200-F481 HydrophobicContact CD2-CE1 4.32Å; F200-F481 AromaticContact CE1-CD1 3.44Å; F200-F481 HydrophobicContact CE1-CD1 3.44Å; F200-F481 VanDerWaalsContact CE1-CD1 3.44Å; F200-F481 AromaticContact CE1-CE1 3.78Å; F200-F481 HydrophobicContact CE1-CE1 3.78Å; F200-F481 HydrophobicContact CE2-CE1 4.17Å; F200-F481 HydrophobicContact CG-CD1 4.4Å; F200-F481 HydrophobicContact CG-CE1 4.21Å; F200-F481 AromaticContact CZ-CD1 3.95Å; F200-F481 HydrophobicContact CZ-CD1 3.95Å; F200-F481 AromaticContact CZ-CE1 3.89Å; F200-F481 HydrophobicContact CZ-CE1 3.89Å; F200-I482 WeakPolarHBondContact CB-O 3.39Å; F200-L513 HydrophobicContact CD2-CD2 3.9Å; F200-L513 HydrophobicContact CE2-CD2 4.43Å; F200-L513 PolarHBondContact N-O 3.09Å
201	S	98.7	Very high	98.8	Very high	40 Å²	40	20.5 Å²	20.5	28%	0.28	11%	0.111	S	C	.	.	S	Bend	trans	-86	-19.7	-173.8	55.8	0	0	0	0	113.9	I143 N232 I482	I143-S201 WeakPolarHBondContact CD1-OG 3.48Å; I143-S201 WeakPolarHBondContact O-CB 3.29Å; I143-S201 PolarHBondContact O-OG 3.2Å; S201-N232 PolarHBondContact O-ND2 3.47Å; S201-N232 PolarHBondContact O-OD1 3.25Å; S201-I482 PolarHBondContact N-O 3.37Å
202	H	98.9	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	106.6	175.3	-164	98.5	0	0	0	110.9	I143 R284 I444 I482 G483 G484 E485	I143-H202 HydrophobicContact CD1-CB 3.83Å; H202-R284 PolarHBondContact ND1-NH1 2.88Å; H202-I444 WeakPolarHBondContact NE2-CD1 3.48Å; H202-I482 HydrophobicContact CB-CD1 4.23Å; H202-I482 HydrophobicContact CB-CG1 4.17Å; H202-I482 PolarHBondContact N-O 3.07Å; H202-G483 CarbonylContact O-C 3.4Å; H202-G483 VanDerWaalsContact O-CA 3.23Å; H202-G483 WeakPolarHBondContact O-CA 3.43Å; H202-G484 PolarHBondContact O-N 3.12Å; H202-E485 IonicContact CD2-OE1 2.8Å; H202-E485 IonicContact CE1-OE1 2.84Å; H202-E485 IonicContact NE2-OE1 3.33Å; H202-E485 PolarHBondContact NE2-OE1 2.9Å
203	R	98.9	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	94	-178.5	-52.6	-176.6	-60	-70.6	-7.8	108.3	E147 P198 F200 K230 F231 N232 V233 L513	E147-R203 IonicContact OE1-CZ 3.9Å; E147-R203 VanDerWaalsContact OE1-CZ 3.29Å; E147-R203 IonicContact OE1-NH1 3.33Å; E147-R203 PolarHBondContact OE1-NH1 3.34Å; E147-R203 IonicContact OE1-NH2 3.74Å; E147-R203 PolarHBondContact OE1-NH2 3.26Å; E147-R203 IonicContact OE2-CZ 3.39Å; E147-R203 IonicContact OE2-NH2 3.85Å; E147-R203 PolarHBondContact OE2-NH2 3.08Å; P198-R203 VanDerWaalsContact CB-NH1 3.28Å; F200-R203 PolarHBondContact O-NH1 2.81Å; R203-K230 PolarHBondContact NE-O 3.12Å; R203-K230 PolarHBondContact NH2-O 3.12Å; R203-F231 HydrophobicContact CB-CD1 4.16Å; R203-F231 WeakPolarHBondContact O-CD1 3.37Å; R203-N232 PolarHBondContact N-OD1 3.02Å; R203-N232 PolarHBondContact NH1-ND2 2.78Å; R203-N232 PolarHBondContact NH2-ND2 3.24Å; R203-N232 PolarHBondContact O-N 3.26Å; R203-N232 PolarHBondContact O-OD1 2.65Å; R203-V233 PolarHBondContact O-N 3.13Å; R203-L513 HydrophobicContact CB-CB 4.44Å; R203-L513 HydrophobicContact CB-CD1 4.25Å; R203-L513 HydrophobicContact CG-CB 3.81Å; R203-L513 HydrophobicContact CG-CD1 4.32Å
204	G	98.9	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.8	-167.8	0	0	0	0	0	115.4	F231 V233 G484 E485 A486	G204-F231 WeakPolarHBondContact O-CD1 3.27Å; G204-F231 VanDerWaalsContact O-CE1 3.23Å; G204-F231 WeakPolarHBondContact O-CE1 3.33Å; G204-V233 CarbonylContact C-O 3.52Å; G204-V233 VanDerWaalsContact CA-O 3.24Å; G204-V233 WeakPolarHBondContact CA-O 3.29Å; G204-G484 PolarHBondContact N-O 3.3Å; G204-E485 VanDerWaalsContact O-CA 3.26Å; G204-E485 WeakPolarHBondContact O-CA 3Å; G204-A486 PolarHBondContact O-N 3.38Å
205	I	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.8	158.1	-61.4	-60.5	0	0	0	106.8	I207 M226 F231 V233 H235 A486 L502 W503 A506	I205-I207 HydrophobicContact CG2-CG2 4.17Å; I205-M226 HydrophobicContact CB-CE 4.15Å; I205-M226 HydrophobicContact CB-CG 4.41Å; I205-M226 HydrophobicContact CB-SD 4.12Å; I205-M226 HydrophobicContact CG1-CE 4.17Å; I205-M226 HydrophobicContact CG1-CG 3.8Å; I205-M226 HydrophobicContact CG1-SD 4.15Å; I205-F231 HydrophobicContact CD1-CD1 3.77Å; I205-F231 HydrophobicContact CD1-CD2 4.27Å; I205-F231 HydrophobicContact CD1-CE1 3.5Å; I205-F231 VanDerWaalsContact CD1-CE1 3.5Å; I205-F231 HydrophobicContact CD1-CE2 3.99Å; I205-F231 HydrophobicContact CD1-CG 4.17Å; I205-F231 HydrophobicContact CD1-CZ 3.6Å; I205-F231 HydrophobicContact CG1-CB 4.5Å; I205-F231 HydrophobicContact CG1-CD1 3.79Å; I205-F231 HydrophobicContact CG1-CD2 4.39Å; I205-F231 HydrophobicContact CG1-CE1 4.07Å; I205-F231 HydrophobicContact CG1-CG 3.98Å; I205-F231 HydrophobicContact CG1-CZ 4.45Å; I205-V233 PolarHBondContact N-O 3.08Å; I205-H235 PolarHBondContact O-N 2.69Å; I205-A486 WeakPolarHBondContact CA-O 3.42Å; I205-A486 HydrophobicContact CD1-CB 3.81Å; I205-L502 HydrophobicContact CG2-CD1 4.17Å; I205-L502 HydrophobicContact CG2-CD2 4.02Å; I205-W503 HydrophobicContact CD1-CH2 4.26Å; I205-W503 HydrophobicContact CG1-CH2 4.39Å; I205-A506 HydrophobicContact CD1-CB 3.84Å
206	L	98.9	Very high	98.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.4	168.3	-177.7	161.5	0	0	0	109.5	D208 H235 H237 W405 A486 C487 L488 W489	L206-D208 HydrophobicContact CD2-CB 4.43Å; L206-H235 VanDerWaalsContact CA-O 3.29Å; L206-H235 WeakPolarHBondContact CA-O 3.25Å; L206-H235 HydrophobicContact CB-CB 4.06Å; L206-H235 HydrophobicContact CG-CB 4.46Å; L206-H237 HydrophobicContact CD1-CB 4.48Å; L206-H237 HydrophobicContact CD2-CB 4.14Å; L206-H237 HydrophobicContact CG-CB 4.24Å; L206-W405 HydrophobicContact CD1-CH2 3.89Å; L206-W405 HydrophobicContact CD1-CZ2 3.81Å; L206-A486 PolarHBondContact N-O 3.22Å; L206-C487 HydrophobicContact CB-CB 4.19Å; L206-L488 PolarHBondContact O-N 3.48Å; L206-L488 VanDerWaalsContact O-N 3.1Å; L206-W489 HydrophobicContact CD1-CH2 3.79Å; L206-W489 HydrophobicContact CD1-CZ2 3.96Å; L206-W489 HydrophobicContact CD1-CZ3 4.19Å; L206-W489 HydrophobicContact CD2-CD2 4.16Å; L206-W489 HydrophobicContact CD2-CE3 3.92Å; L206-W489 HydrophobicContact CD2-CH2 4.43Å; L206-W489 HydrophobicContact CD2-CZ3 4.07Å
207	I	98.9	Very high	98.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.1	165.1	64.5	171.6	0	0	0	109.3	I205 T209 L214 I219 T222 L234 H235 W236 H237	I205-I207 HydrophobicContact CG2-CG2 4.17Å; I207-T209 HydrophobicContact CD1-CG2 4.14Å; I207-T209 HydrophobicContact CG1-CG2 4.41Å; I207-L214 HydrophobicContact CB-CD1 4.31Å; I207-L214 HydrophobicContact CD1-CD1 4.36Å; I207-I219 HydrophobicContact CD1-CB 4.48Å; I207-I219 HydrophobicContact CD1-CD1 4.3Å; I207-I219 HydrophobicContact CD1-CG1 4.01Å; I207-I219 HydrophobicContact CD1-CG2 3.93Å; I207-T222 HydrophobicContact CG2-CG2 4.37Å; I207-L234 HydrophobicContact CD1-CD1 3.86Å; I207-L234 HydrophobicContact CD1-CD2 4.34Å; I207-L234 HydrophobicContact CG1-CD1 3.85Å; I207-L234 HydrophobicContact CG2-CD1 4.18Å; I207-H235 PolarHBondContact N-O 2.79Å; I207-W236 HydrophobicContact CG1-CG 4.46Å; I207-H237 WeakPolarHBondContact O-CB 3.39Å; I207-H237 PolarHBondContact O-N 3Å
208	D	98.9	Very high	98.8	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.7	173.6	172.4	-4.2	0	0	0	109.1	L206 S210 R211 H237 W489 G490	L206-D208 HydrophobicContact CD2-CB 4.43Å; D208-S210 PolarHBondContact OD1-N 2.72Å; D208-R211 PolarHBondContact OD1-N 2.94Å; D208-R211 WeakPolarHBondContact OD2-CB 3.39Å; D208-R211 WeakPolarHBondContact OD2-CD 3.47Å; D208-R211 WeakPolarHBondContact OD2-CG 3.2Å; D208-R211 IonicContact OD2-CZ 3.57Å; D208-R211 IonicContact OD2-NE 3.51Å; D208-R211 IonicContact OD2-NH1 2.76Å; D208-R211 PolarHBondContact OD2-NH1 3.01Å; D208-H237 IonicContact OD1-CD2 3.89Å; D208-W489 HydrophobicContact CB-CE3 4.23Å; D208-G490 WeakPolarHBondContact OD2-CA 3.42Å; D208-G490 PolarHBondContact OD2-N 3.05Å
209	T	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-106.9	7.6	179	61.2	0	0	0	0	113.7	I207 H212 L214 I219 W236 H237 I238 Y266	I207-T209 HydrophobicContact CD1-CG2 4.14Å; I207-T209 HydrophobicContact CG1-CG2 4.41Å; T209-H212 CarbonylContact C-O 3.18Å; T209-H212 VanDerWaalsContact C-O 3.23Å; T209-H212 VanDerWaalsContact CA-O 3.3Å; T209-H212 WeakPolarHBondContact CA-O 3.39Å; T209-L214 HydrophobicContact CG2-CB 3.98Å; T209-L214 HydrophobicContact CG2-CD1 3.83Å; T209-L214 HydrophobicContact CG2-CG 3.93Å; T209-I219 HydrophobicContact CG2-CD1 4.25Å; T209-W236 PolarHBondContact OG1-NE1 3.3Å; T209-H237 PolarHBondContact N-O 3.3Å; T209-H237 PolarHBondContact OG1-O 2.57Å; T209-I238 WeakPolarHBondContact OG1-CA 3.48Å; T209-I238 PolarHBondContact OG1-O 3.46Å; T209-Y266 VanDerWaalsContact CB-OH 3.25Å; T209-Y266 WeakPolarHBondContact CB-OH 3.28Å; T209-Y266 HydrophobicContact CG2-CE2 4.2Å; T209-Y266 VanDerWaalsContact CG2-OH 3.28Å; T209-Y266 WeakPolarHBondContact CG2-OH 3.34Å; T209-Y266 WeakPolarHBondContact OG1-CE2 3.39Å
210	S	98.8	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-95.3	-50.7	179.4	177.8	0	0	0	0	111.5	D208 H212 D240 S243 Y260	D208-S210 PolarHBondContact OD1-N 2.72Å; S210-H212 VanDerWaalsContact C-N 3.25Å; S210-H212 PolarHBondContact O-N 3.06Å; S210-D240 VanDerWaalsContact OG-CA 3.31Å; S210-D240 WeakPolarHBondContact OG-CA 3.35Å; S210-D240 WeakPolarHBondContact OG-CB 3.38Å; S210-D240 PolarHBondContact OG-N 3.24Å; S210-S243 WeakPolarHBondContact CA-OG 3.32Å; S210-S243 PolarHBondContact O-OG 3.22Å; S210-S243 PolarHBondContact OG-N 3.04Å; S210-S243 PolarHBondContact OG-O 3.27Å; S210-Y260 VanDerWaalsContact O-CE2 3.3Å; S210-Y260 WeakPolarHBondContact O-CE2 3.49Å
211	R	98.6	Very high	98.8	Very high	14 Å²	14	26.1 Å²	26.1	5%	0.053	13%	0.128	C	C	.	.	S	Bend	trans	-60.8	-41.3	-179.1	-79.8	50.1	174.3	-88	6.6	109.8	D208 D240 Q242 Y260 H294 W489 G490 E491	D208-R211 PolarHBondContact OD1-N 2.94Å; D208-R211 WeakPolarHBondContact OD2-CB 3.39Å; D208-R211 WeakPolarHBondContact OD2-CD 3.47Å; D208-R211 WeakPolarHBondContact OD2-CG 3.2Å; D208-R211 IonicContact OD2-CZ 3.57Å; D208-R211 IonicContact OD2-NE 3.51Å; D208-R211 IonicContact OD2-NH1 2.76Å; D208-R211 PolarHBondContact OD2-NH1 3.01Å; R211-D240 IonicContact CZ-OD1 3.97Å; R211-D240 IonicContact CZ-OD2 3.45Å; R211-D240 IonicContact NE-OD1 2.83Å; R211-D240 PolarHBondContact NE-OD1 3.27Å; R211-D240 IonicContact NE-OD2 3.41Å; R211-D240 PolarHBondContact NE-OD2 3.42Å; R211-D240 IonicContact NH1-OD2 2.93Å; R211-D240 IonicContact NH2-OD1 2.6Å; R211-D240 PolarHBondContact NH2-OD1 3.36Å; R211-D240 IonicContact NH2-OD2 3.88Å; R211-D240 PolarHBondContact NH2-OD2 3.25Å; R211-Q242 VanDerWaalsContact NE-OE1 3.08Å; R211-Y260 PolarHBondContact O-OH 3.46Å; R211-H294 PolarHBondContact NH2-ND1 3.01Å; R211-W489 VanDerWaalsContact NH1-CE3 3.33Å; R211-G490 VanDerWaalsContact CB-C 3.4Å; R211-E491 HydrophobicContact CG-CG 4.02Å; R211-E491 IonicContact CZ-OE1 2.78Å; R211-E491 IonicContact NH1-OE1 3.52Å; R211-E491 PolarHBondContact NH1-OE1 3.22Å; R211-E491 IonicContact NH2-OE1 2.69Å
212	H	98.8	Very high	98.8	Very high	69 Å²	69	24.2 Å²	24.2	32%	0.319	12%	0.115	S	C	.	.	S	Bend	trans	-136	140.1	160.2	-68.1	93	0	0	0	110.9	T209 S210 L214 G490 E491 V493 D494	T209-H212 CarbonylContact C-O 3.18Å; T209-H212 VanDerWaalsContact C-O 3.23Å; T209-H212 VanDerWaalsContact CA-O 3.3Å; T209-H212 WeakPolarHBondContact CA-O 3.39Å; S210-H212 VanDerWaalsContact C-N 3.25Å; S210-H212 PolarHBondContact O-N 3.06Å; H212-L214 PolarHBondContact O-N 3.02Å; H212-G490 PolarHBondContact ND1-O 3.37Å; H212-E491 PolarHBondContact CE1-O 3.22Å; H212-V493 WeakPolarHBondContact CB-O 3.11Å; H212-V493 PolarHBondContact ND1-O 3.15Å; H212-D494 HydrophobicContact CB-CB 3.81Å
213	Y	98.9	Very high	98.8	Very high	39 Å²	39	24.2 Å²	24.2	15%	0.153	12%	0.115	C	C	.	.			trans	-66.5	133.4	173.2	175	-91.5	0	0	0	111.1	P215 P245 H264 V265 Y266	Y213-P215 HydrophobicContact CD1-CG 4.47Å; Y213-P215 HydrophobicContact CE1-CB 4.34Å; Y213-P215 HydrophobicContact CE1-CG 4.2Å; Y213-P245 HydrophobicContact CD2-CB 4.14Å; Y213-H264 HydrophobicContact CD1-CB 4.44Å; Y213-H264 AromaticContact CD1-CD2 3.53Å; Y213-H264 HydrophobicContact CD2-CB 3.98Å; Y213-H264 HydrophobicContact CG-CB 3.9Å; Y213-H264 AromaticContact CG-CD2 3.68Å; Y213-V265 PolarHBondContact OH-O 3.06Å; Y213-Y266 HydrophobicContact CD2-CE1 4.15Å; Y213-Y266 HydrophobicContact CD2-CE2 4.06Å; Y213-Y266 AromaticContact CD2-CZ 3.7Å; Y213-Y266 AromaticContact CE2-CD1 3.88Å; Y213-Y266 HydrophobicContact CE2-CD1 3.88Å; Y213-Y266 HydrophobicContact CE2-CD2 4.4Å; Y213-Y266 AromaticContact CE2-CE1 3.38Å; Y213-Y266 HydrophobicContact CE2-CE1 3.38Å; Y213-Y266 AromaticContact CE2-CE2 3.96Å; Y213-Y266 HydrophobicContact CE2-CE2 3.96Å; Y213-Y266 HydrophobicContact CE2-CG 4.35Å; Y213-Y266 AromaticContact CE2-CZ 3.42Å; Y213-Y266 VanDerWaalsContact CE2-CZ 3.42Å; Y213-Y266 AromaticContact CZ-CE1 3.76Å
214	L	98.8	Very high	98.8	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	12%	0.12	C	C	.	.			trans	-104.3	121.6	171.3	-59.3	-178.1	0	0	0	110.3	I207 T209 H212 V216 I219 Y266 L498	I207-L214 HydrophobicContact CB-CD1 4.31Å; I207-L214 HydrophobicContact CD1-CD1 4.36Å; T209-L214 HydrophobicContact CG2-CB 3.98Å; T209-L214 HydrophobicContact CG2-CD1 3.83Å; T209-L214 HydrophobicContact CG2-CG 3.93Å; H212-L214 PolarHBondContact O-N 3.02Å; L214-V216 PolarHBondContact O-N 3.34Å; L214-I219 HydrophobicContact CB-CD1 4.42Å; L214-I219 HydrophobicContact CB-CG1 4.09Å; L214-Y266 PolarHBondContact N-OH 3.41Å; L214-Y266 VanDerWaalsContact N-OH 3.09Å; L214-Y266 VanDerWaalsContact O-CE1 3.26Å; L214-Y266 WeakPolarHBondContact O-CE1 3.43Å; L214-Y266 PolarHBondContact O-OH 3.21Å; L214-L498 HydrophobicContact CD1-CD1 3.23Å; L214-L498 HydrophobicContact CD2-CD1 3.7Å; L214-L498 HydrophobicContact CG-CD1 4.11Å
215	P	98.7	Very high	98.8	Very high	54 Å²	54	25.1 Å²	25.1	35%	0.351	12%	0.12	S	C	.	.			trans	-55.9	140.5	172.1	-23.9	33.9	0	0	0	111	Y213 K217 I218 I219 A495	Y213-P215 HydrophobicContact CD1-CG 4.47Å; Y213-P215 HydrophobicContact CE1-CB 4.34Å; Y213-P215 HydrophobicContact CE1-CG 4.2Å; P215-K217 PolarHBondContact O-N 3.38Å; P215-I218 WeakPolarHBondContact O-CB 3.49Å; P215-I218 PolarHBondContact O-N 3.37Å; P215-I219 PolarHBondContact O-N 2.88Å; P215-A495 HydrophobicContact CG-CB 4.38Å
216	V	98.8	Very high	98.8	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.115	12%	0.12	C	C	.	.	H	α-helix	trans	-48.2	-41	-178.3	176.8	0	0	0	0	111.8	L214 I218 I219 L220 Y266 D270 M273 V274	L214-V216 PolarHBondContact O-N 3.34Å; V216-I218 VanDerWaalsContact C-N 3.26Å; V216-I218 PolarHBondContact O-N 3.02Å; V216-I219 WeakPolarHBondContact O-CA 3.18Å; V216-I219 WeakPolarHBondContact O-CB 3.2Å; V216-I219 PolarHBondContact O-N 2.97Å; V216-L220 HydrophobicContact CG1-CD1 4.29Å; V216-L220 HydrophobicContact CG1-CD2 4.28Å; V216-L220 HydrophobicContact CG1-CG 4.06Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 2.81Å; V216-Y266 HydrophobicContact CG2-CD1 4.15Å; V216-Y266 HydrophobicContact CG2-CE1 4.3Å; V216-D270 HydrophobicContact CG2-CB 3.71Å; V216-M273 HydrophobicContact CG1-SD 4.08Å; V216-V274 HydrophobicContact CG1-CG2 4.1Å
217	K	98.6	Very high	98.8	Very high	177 Å²	177	25.4 Å²	25.4	77%	0.77	12%	0.122	S	C	*	.	H	α-helix	trans	-55.4	-36.8	177.6	-171	176.1	-178.7	-179.8	0	113.7	P215 K221	P215-K217 PolarHBondContact O-N 3.38Å; K217-K221 WeakPolarHBondContact O-CB 3.46Å; K217-K221 PolarHBondContact O-N 2.78Å
218	I	98.6	Very high	98.8	Very high	31 Å²	31	25.5 Å²	25.5	16%	0.159	12%	0.123	C	C	.	.	H	α-helix	trans	-72.4	-39.2	176.4	-62.1	-61.4	0	0	0	110.5	P215 V216 L220 K221 T222 A495 L498	P215-I218 WeakPolarHBondContact O-CB 3.49Å; P215-I218 PolarHBondContact O-N 3.37Å; V216-I218 VanDerWaalsContact C-N 3.26Å; V216-I218 PolarHBondContact O-N 3.02Å; I218-L220 PolarHBondContact O-N 3.1Å; I218-K221 PolarHBondContact O-N 3.31Å; I218-T222 PolarHBondContact O-N 3.07Å; I218-T222 PolarHBondContact O-OG1 2.87Å; I218-T222 VanDerWaalsContact O-OG1 3.12Å; I218-A495 HydrophobicContact CG1-CB 3.96Å; I218-L498 HydrophobicContact CG2-CD1 4.17Å; I218-L498 HydrophobicContact CG2-CD2 4.22Å
219	I	98.9	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-46.4	174.1	-55.5	177.8	0	0	0	110.4	I207 T209 L214 P215 V216 K221 T222 L223 L234 W236 Y266 V274	I207-I219 HydrophobicContact CD1-CB 4.48Å; I207-I219 HydrophobicContact CD1-CD1 4.3Å; I207-I219 HydrophobicContact CD1-CG1 4.01Å; I207-I219 HydrophobicContact CD1-CG2 3.93Å; T209-I219 HydrophobicContact CG2-CD1 4.25Å; L214-I219 HydrophobicContact CB-CD1 4.42Å; L214-I219 HydrophobicContact CB-CG1 4.09Å; P215-I219 PolarHBondContact O-N 2.88Å; V216-I219 WeakPolarHBondContact O-CA 3.18Å; V216-I219 WeakPolarHBondContact O-CB 3.2Å; V216-I219 PolarHBondContact O-N 2.97Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.11Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 2.8Å; I219-L223 WeakPolarHBondContact O-CG 3.2Å; I219-L223 PolarHBondContact O-N 3.33Å; I219-L234 HydrophobicContact CG2-CD2 4.01Å; I219-W236 HydrophobicContact CD1-CH2 4.27Å; I219-W236 HydrophobicContact CD1-CZ2 3.7Å; I219-Y266 HydrophobicContact CD1-CE1 3.81Å; I219-V274 HydrophobicContact CG2-CG1 3.85Å; I219-V274 HydrophobicContact CG2-CG2 4.04Å
220	L	98.9	Very high	98.8	Very high	25 Å²	25	25.4 Å²	25.4	13%	0.131	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-40.8	176.4	-57.1	-168.9	0	0	0	111.9	V216 I218 T222 L223 D224 M273 V274 Y277	V216-L220 HydrophobicContact CG1-CD1 4.29Å; V216-L220 HydrophobicContact CG1-CD2 4.28Å; V216-L220 HydrophobicContact CG1-CG 4.06Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 2.81Å; I218-L220 PolarHBondContact O-N 3.1Å; L220-T222 VanDerWaalsContact C-N 3.35Å; L220-L223 HydrophobicContact CD2-CD1 4.25Å; L220-L223 WeakPolarHBondContact O-CB 3.39Å; L220-L223 PolarHBondContact O-N 2.8Å; L220-D224 PolarHBondContact O-N 3.14Å; L220-M273 HydrophobicContact CD1-CG 4.42Å; L220-M273 HydrophobicContact CD1-SD 4.07Å; L220-V274 HydrophobicContact CD2-CG2 4.09Å; L220-Y277 HydrophobicContact CB-CD1 4.07Å; L220-Y277 HydrophobicContact CB-CE1 3.84Å; L220-Y277 HydrophobicContact CD1-CD2 4.23Å; L220-Y277 HydrophobicContact CD1-CE2 4.35Å; L220-Y277 HydrophobicContact CD1-CG 4.44Å; L220-Y277 HydrophobicContact CD2-CD1 3.87Å; L220-Y277 HydrophobicContact CD2-CD2 4.37Å; L220-Y277 HydrophobicContact CD2-CG 3.77Å; L220-Y277 HydrophobicContact CG-CD1 4.42Å; L220-Y277 HydrophobicContact CG-CG 4.44Å; L220-Y277 WeakPolarHBondContact O-CE1 3.37Å
221	K	98.6	Very high	98.8	Very high	69 Å²	69	25.4 Å²	25.4	30%	0.3	12%	0.122	S	C	.	.	H	α-helix	trans	-65.5	-36.8	176	-172.6	172.9	-174.9	163.2	0	112.5	K217 I218 I219 L223 D224 A225 G540 I541	K217-K221 WeakPolarHBondContact O-CB 3.46Å; K217-K221 PolarHBondContact O-N 2.78Å; I218-K221 PolarHBondContact O-N 3.31Å; I219-K221 VanDerWaalsContact C-N 3.32Å; I219-K221 PolarHBondContact O-N 3.11Å; K221-L223 VanDerWaalsContact C-N 3.35Å; K221-D224 WeakPolarHBondContact O-CB 3.21Å; K221-D224 PolarHBondContact O-N 3.46Å; K221-A225 PolarHBondContact O-N 3.44Å; K221-A225 VanDerWaalsContact O-N 3.09Å; K221-G540 WeakPolarHBondContact CE-O 3.25Å; K221-G540 PolarHBondContact NZ-O 3.35Å; K221-I541 HydrophobicContact CD-CD1 4.32Å; K221-I541 HydrophobicContact CG-CD1 3.51Å
222	T	98.9	Very high	98.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-42.1	171.5	-62.6	0	0	0	0	110.8	I207 I218 I219 L220 D224 A225 M226 L498 L502	I207-T222 HydrophobicContact CG2-CG2 4.37Å; I218-T222 PolarHBondContact O-N 3.07Å; I218-T222 PolarHBondContact O-OG1 2.87Å; I218-T222 VanDerWaalsContact O-OG1 3.12Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 2.8Å; L220-T222 VanDerWaalsContact C-N 3.35Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.96Å; T222-A225 PolarHBondContact O-N 3.37Å; T222-M226 HydrophobicContact CG2-CG 4.33Å; T222-M226 HydrophobicContact CG2-SD 4.01Å; T222-M226 WeakPolarHBondContact O-CB 3.23Å; T222-M226 VanDerWaalsContact O-CG 3.23Å; T222-M226 WeakPolarHBondContact O-CG 3.48Å; T222-M226 PolarHBondContact O-N 3.42Å; T222-L498 WeakPolarHBondContact OG1-CD2 3.44Å; T222-L502 HydrophobicContact CG2-CD2 3.88Å
223	L	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-36.7	175	-70.3	169.5	0	0	0	112.8	I219 L220 K221 M226 A227 L234 V274 Y277 A278 I283	I219-L223 WeakPolarHBondContact O-CG 3.2Å; I219-L223 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CD1 4.25Å; L220-L223 WeakPolarHBondContact O-CB 3.39Å; L220-L223 PolarHBondContact O-N 2.8Å; K221-L223 VanDerWaalsContact C-N 3.35Å; L223-M226 HydrophobicContact CD2-SD 4.04Å; L223-A227 PolarHBondContact O-N 2.83Å; L223-L234 HydrophobicContact CD2-CB 4.08Å; L223-L234 HydrophobicContact CD2-CD2 3.96Å; L223-L234 HydrophobicContact CD2-CG 4.49Å; L223-L234 HydrophobicContact CG-CD2 4.39Å; L223-V274 HydrophobicContact CD1-CG1 4.17Å; L223-Y277 HydrophobicContact CB-CD1 4.06Å; L223-Y277 HydrophobicContact CB-CE1 4.3Å; L223-Y277 HydrophobicContact CD1-CD1 3.92Å; L223-A278 HydrophobicContact CD1-CB 3.87Å; L223-A278 HydrophobicContact CD2-CB 3.77Å; L223-A278 HydrophobicContact CG-CB 4.48Å; L223-I283 HydrophobicContact CB-CD1 4.32Å; L223-I283 HydrophobicContact CD2-CB 4.23Å; L223-I283 HydrophobicContact CD2-CD1 3.8Å; L223-I283 HydrophobicContact CD2-CG2 3.72Å; L223-I283 WeakPolarHBondContact O-CD1 3.38Å
224	D	98.9	Very high	98.8	Very high	20 Å²	20	20 Å²	20	11%	0.107	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-50.3	171.3	-78	-52.3	0	0	0	111.6	L220 K221 T222 M226 A227 F228 Y277 R281	L220-D224 PolarHBondContact O-N 3.14Å; K221-D224 WeakPolarHBondContact O-CB 3.21Å; K221-D224 PolarHBondContact O-N 3.46Å; T222-D224 VanDerWaalsContact C-N 3.33Å; T222-D224 PolarHBondContact O-N 2.96Å; D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 2.97Å; D224-A227 WeakPolarHBondContact O-CB 3.26Å; D224-A227 PolarHBondContact O-N 3.03Å; D224-A227 VanDerWaalsContact O-N 3.13Å; D224-F228 HydrophobicContact CB-CE2 4.25Å; D224-F228 HydrophobicContact CB-CZ 4.08Å; D224-F228 WeakPolarHBondContact O-CD1 3.47Å; D224-F228 WeakPolarHBondContact O-CD2 3.39Å; D224-F228 VanDerWaalsContact O-CG 3.25Å; D224-F228 WeakPolarHBondContact O-CG 3.48Å; D224-F228 PolarHBondContact O-N 2.83Å; D224-Y277 PolarHBondContact OD1-OH 2.96Å; D224-Y277 PolarHBondContact OD2-OH 2.95Å; D224-R281 IonicContact OD1-CZ 3.12Å; D224-R281 IonicContact OD1-NE 2.66Å; D224-R281 PolarHBondContact OD1-NE 3.22Å; D224-R281 IonicContact OD1-NH2 2.73Å; D224-R281 PolarHBondContact OD1-NH2 3.43Å; D224-R281 IonicContact OD2-NH2 3.35Å
225	A	98.9	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-38	178.5	0	0	0	0	0	112.6	K221 T222 A227 F228 N229 W503 I541	K221-A225 PolarHBondContact O-N 3.44Å; K221-A225 VanDerWaalsContact O-N 3.09Å; T222-A225 PolarHBondContact O-N 3.37Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.18Å; A225-F228 PolarHBondContact O-N 2.98Å; A225-N229 PolarHBondContact O-N 2.73Å; A225-N229 VanDerWaalsContact O-N 3.11Å; A225-N229 PolarHBondContact O-ND2 3.3Å; A225-W503 HydrophobicContact CB-CD2 4.03Å; A225-W503 HydrophobicContact CB-CG 4.33Å; A225-W503 HydrophobicContact CB-CZ2 3.71Å; A225-W503 VanDerWaalsContact CB-NE1 3.3Å; A225-I541 HydrophobicContact CB-CD1 4.1Å; A225-I541 HydrophobicContact CB-CG1 4.12Å; A225-I541 HydrophobicContact CB-CG2 4.02Å
226	M	98.9	Very high	98.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-44.6	172.3	-75.1	169.5	71.9	0	0	111.6	I205 T222 L223 D224 F228 N229 K230 F231 V233 L234 I283 W503	I205-M226 HydrophobicContact CB-CE 4.15Å; I205-M226 HydrophobicContact CB-CG 4.41Å; I205-M226 HydrophobicContact CB-SD 4.12Å; I205-M226 HydrophobicContact CG1-CE 4.17Å; I205-M226 HydrophobicContact CG1-CG 3.8Å; I205-M226 HydrophobicContact CG1-SD 4.15Å; T222-M226 HydrophobicContact CG2-CG 4.33Å; T222-M226 HydrophobicContact CG2-SD 4.01Å; T222-M226 WeakPolarHBondContact O-CB 3.23Å; T222-M226 VanDerWaalsContact O-CG 3.23Å; T222-M226 WeakPolarHBondContact O-CG 3.48Å; T222-M226 PolarHBondContact O-N 3.42Å; L223-M226 HydrophobicContact CD2-SD 4.04Å; D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 2.97Å; M226-F228 PolarHBondContact O-N 3.04Å; M226-N229 CarbonylContact O-C 3.53Å; M226-N229 PolarHBondContact O-N 3.43Å; M226-N229 VanDerWaalsContact O-N 3.13Å; M226-K230 PolarHBondContact O-N 3.16Å; M226-F231 HydrophobicContact CB-CB 3.86Å; M226-F231 HydrophobicContact CE-CB 4.1Å; M226-F231 HydrophobicContact CG-CB 4.08Å; M226-F231 PolarHBondContact O-N 3.38Å; M226-V233 VanDerWaalsContact CE-C 3.49Å; M226-V233 WeakPolarHBondContact CE-O 3.48Å; M226-L234 HydrophobicContact CE-CB 4.03Å; M226-L234 HydrophobicContact CE-CD1 4.47Å; M226-L234 HydrophobicContact SD-CB 4.5Å; M226-L234 HydrophobicContact SD-CD1 4.07Å; M226-I283 HydrophobicContact CB-CD1 3.76Å; M226-I283 HydrophobicContact CE-CD1 4.36Å; M226-I283 HydrophobicContact CE-CG2 3.79Å; M226-W503 HydrophobicContact CG-CH2 4.28Å; M226-W503 HydrophobicContact CG-CZ2 4.04Å
227	A	98.9	Very high	98.9	Very high	7 Å²	7	16.4 Å²	16.4	6%	0.058	8%	0.076	C	C	.	.	H	α-helix	trans	-62.1	-41.8	177.2	0	0	0	0	0	111.8	L223 D224 A225 N229 K230 R281 I283	L223-A227 PolarHBondContact O-N 2.83Å; D224-A227 WeakPolarHBondContact O-CB 3.26Å; D224-A227 PolarHBondContact O-N 3.03Å; D224-A227 VanDerWaalsContact O-N 3.13Å; A225-A227 VanDerWaalsContact C-N 3.34Å; A225-A227 PolarHBondContact O-N 3.18Å; A227-N229 PolarHBondContact O-N 3.16Å; A227-K230 PolarHBondContact O-N 2.99Å; A227-K230 VanDerWaalsContact O-N 3.15Å; A227-R281 HydrophobicContact CB-CB 4.05Å; A227-R281 HydrophobicContact CB-CG 4.03Å; A227-I283 HydrophobicContact CB-CD1 4.49Å
228	F	98.8	Very high	98.9	Very high	4 Å²	4	8 Å²	8	2%	0.018	4%	0.039	C	C	.	.	H	α-helix	trans	-63	-27.6	176	-53	-26.4	0	0	0	112.8	Y104 E173 D224 A225 M226 R539 I541	Y104-F228 HydrophobicContact CD2-CE1 4.1Å; Y104-F228 HydrophobicContact CE1-CE1 4.45Å; Y104-F228 HydrophobicContact CE1-CZ 4.05Å; Y104-F228 AromaticContact CE2-CE1 3.49Å; Y104-F228 HydrophobicContact CE2-CE1 3.49Å; Y104-F228 VanDerWaalsContact CE2-CE1 3.49Å; Y104-F228 AromaticContact CE2-CZ 3.91Å; Y104-F228 HydrophobicContact CE2-CZ 3.91Å; Y104-F228 AromaticContact CZ-CE1 3.7Å; Y104-F228 AromaticContact CZ-CZ 3.6Å; E173-F228 WeakPolarHBondContact OE2-CD1 3.29Å; D224-F228 HydrophobicContact CB-CE2 4.25Å; D224-F228 HydrophobicContact CB-CZ 4.08Å; D224-F228 WeakPolarHBondContact O-CD1 3.47Å; D224-F228 WeakPolarHBondContact O-CD2 3.39Å; D224-F228 VanDerWaalsContact O-CG 3.25Å; D224-F228 WeakPolarHBondContact O-CG 3.48Å; D224-F228 PolarHBondContact O-N 2.83Å; A225-F228 PolarHBondContact O-N 2.98Å; M226-F228 PolarHBondContact O-N 3.04Å; F228-R539 VanDerWaalsContact CD1-NH1 3.3Å; F228-R539 HydrophobicContact CE2-CB 3.9Å; F228-R539 HydrophobicContact CZ-CB 4.24Å; F228-I541 HydrophobicContact CD2-CG1 4.23Å; F228-I541 HydrophobicContact CE2-CD1 4.43Å; F228-I541 HydrophobicContact CE2-CG1 3.88Å
229	N	98.9	Very high	98.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.5	179.5	-75.1	-91.8	0	0	0	113.4	A225 M226 A227 F231 W503 S507 H532 M536	A225-N229 PolarHBondContact O-N 2.73Å; A225-N229 VanDerWaalsContact O-N 3.11Å; A225-N229 PolarHBondContact O-ND2 3.3Å; M226-N229 CarbonylContact O-C 3.53Å; M226-N229 PolarHBondContact O-N 3.43Å; M226-N229 VanDerWaalsContact O-N 3.13Å; A227-N229 PolarHBondContact O-N 3.16Å; N229-F231 HydrophobicContact CB-CD2 3.69Å; N229-F231 HydrophobicContact CB-CE2 4.02Å; N229-F231 PolarHBondContact O-N 3.38Å; N229-W503 HydrophobicContact CB-CH2 4.21Å; N229-W503 HydrophobicContact CB-CZ3 3.87Å; N229-W503 VanDerWaalsContact CG-CZ3 3.49Å; N229-W503 WeakPolarHBondContact ND2-CZ3 3.36Å; N229-S507 WeakPolarHBondContact OD1-CA 3.31Å; N229-S507 WeakPolarHBondContact OD1-CB 3.29Å; N229-S507 PolarHBondContact OD1-OG 2.83Å; N229-H532 PolarHBondContact ND2-NE2 2.76Å; N229-H532 PolarHBondContact OD1-NE2 2.86Å; N229-M536 PolarHBondContact ND2-SD 3.06Å
230	K	98.9	Very high	98.9	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.5	-177.9	-55	-171.2	175	77.5	0	115.3	P58 R170 T174 R203 M226 A227 W514	P58-K230 HydrophobicContact CG-CB 4.43Å; R170-K230 HydrophobicContact CB-CD 4.31Å; R170-K230 WeakPolarHBondContact O-CE 3.3Å; T174-K230 VanDerWaalsContact OG1-CE 3.28Å; T174-K230 WeakPolarHBondContact OG1-CE 3.36Å; T174-K230 PolarHBondContact OG1-NZ 2.71Å; R203-K230 PolarHBondContact NE-O 3.12Å; R203-K230 PolarHBondContact NH2-O 3.12Å; M226-K230 PolarHBondContact O-N 3.16Å; A227-K230 PolarHBondContact O-N 2.99Å; A227-K230 VanDerWaalsContact O-N 3.15Å; K230-W514 HydrophobicContact CB-CD2 4.1Å; K230-W514 HydrophobicContact CB-CE3 3.51Å; K230-W514 HydrophobicContact CB-CZ3 3.83Å; K230-W514 HydrophobicContact CD-CD2 3.58Å; K230-W514 HydrophobicContact CD-CE3 3.66Å; K230-W514 HydrophobicContact CD-CG 4.35Å; K230-W514 HydrophobicContact CD-CH2 3.75Å; K230-W514 HydrophobicContact CD-CZ2 3.62Å; K230-W514 HydrophobicContact CD-CZ3 3.75Å; K230-W514 HydrophobicContact CG-CE3 4.24Å; K230-W514 HydrophobicContact CG-CZ3 4.35Å
231	F	98.9	Very high	98.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.038	C	C	.	.			trans	-66.1	149.7	163.5	-78.5	-90	0	0	0	109.9	R203 G204 I205 M226 N229 W503 A506 V509 G510	R203-F231 HydrophobicContact CB-CD1 4.16Å; R203-F231 WeakPolarHBondContact O-CD1 3.37Å; G204-F231 WeakPolarHBondContact O-CD1 3.27Å; G204-F231 VanDerWaalsContact O-CE1 3.23Å; G204-F231 WeakPolarHBondContact O-CE1 3.33Å; I205-F231 HydrophobicContact CD1-CD1 3.77Å; I205-F231 HydrophobicContact CD1-CD2 4.27Å; I205-F231 HydrophobicContact CD1-CE1 3.5Å; I205-F231 VanDerWaalsContact CD1-CE1 3.5Å; I205-F231 HydrophobicContact CD1-CE2 3.99Å; I205-F231 HydrophobicContact CD1-CG 4.17Å; I205-F231 HydrophobicContact CD1-CZ 3.6Å; I205-F231 HydrophobicContact CG1-CB 4.5Å; I205-F231 HydrophobicContact CG1-CD1 3.79Å; I205-F231 HydrophobicContact CG1-CD2 4.39Å; I205-F231 HydrophobicContact CG1-CE1 4.07Å; I205-F231 HydrophobicContact CG1-CG 3.98Å; I205-F231 HydrophobicContact CG1-CZ 4.45Å; M226-F231 HydrophobicContact CB-CB 3.86Å; M226-F231 HydrophobicContact CE-CB 4.1Å; M226-F231 HydrophobicContact CG-CB 4.08Å; M226-F231 PolarHBondContact O-N 3.38Å; N229-F231 HydrophobicContact CB-CD2 3.69Å; N229-F231 HydrophobicContact CB-CE2 4.02Å; N229-F231 PolarHBondContact O-N 3.38Å; F231-W503 AromaticContact CD2-CH2 3.98Å; F231-W503 HydrophobicContact CD2-CH2 3.98Å; F231-W503 HydrophobicContact CD2-CZ3 4.37Å; F231-W503 HydrophobicContact CE2-CH2 4.03Å; F231-W503 HydrophobicContact CE2-CZ3 4.08Å; F231-A506 WeakPolarHBondContact CE2-O 3.4Å; F231-A506 VanDerWaalsContact CZ-O 3.26Å; F231-A506 WeakPolarHBondContact CZ-O 3.43Å; F231-V509 HydrophobicContact CZ-CB 4.18Å; F231-V509 HydrophobicContact CZ-CG1 4.42Å; F231-G510 VanDerWaalsContact CE2-CA 3.44Å; F231-G510 VanDerWaalsContact CZ-CA 3.43Å; F231-G510 VanDerWaalsContact CZ-N 3.3Å
232	N	98.9	Very high	98.9	Very high	8 Å²	8	8.4 Å²	8.4	4%	0.043	4%	0.043	C	C	.	.			trans	-137	3.3	-173.6	72.4	-13.2	0	0	0	114.4	E147 S201 R203 I283 R284	E147-N232 PolarHBondContact OE1-ND2 3.1Å; S201-N232 PolarHBondContact O-ND2 3.47Å; S201-N232 PolarHBondContact O-OD1 3.25Å; R203-N232 PolarHBondContact N-OD1 3.02Å; R203-N232 PolarHBondContact NH1-ND2 2.78Å; R203-N232 PolarHBondContact NH2-ND2 3.24Å; R203-N232 PolarHBondContact O-N 3.26Å; R203-N232 PolarHBondContact O-OD1 2.65Å; N232-I283 CarbonylContact O-C 3.51Å; N232-I283 WeakPolarHBondContact O-CA 3.44Å; N232-R284 PolarHBondContact O-N 3.37Å
233	V	99	Very high	98.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.8	173.1	-179	0	0	0	0	109.2	R203 G204 I205 M226 R284 L286	R203-V233 PolarHBondContact O-N 3.13Å; G204-V233 CarbonylContact C-O 3.52Å; G204-V233 VanDerWaalsContact CA-O 3.24Å; G204-V233 WeakPolarHBondContact CA-O 3.29Å; I205-V233 PolarHBondContact N-O 3.08Å; M226-V233 VanDerWaalsContact CE-C 3.49Å; M226-V233 WeakPolarHBondContact CE-O 3.48Å; V233-R284 HydrophobicContact CG2-CB 4.29Å; V233-L286 HydrophobicContact CG1-CB 3.91Å; V233-L286 HydrophobicContact CG1-CD2 4.27Å
234	L	99	Very high	98.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.5	161.9	177.7	66.1	0	0	0	106.6	I207 I219 L223 M226 W236 V274 I283 R284 L286	I207-L234 HydrophobicContact CD1-CD1 3.86Å; I207-L234 HydrophobicContact CD1-CD2 4.34Å; I207-L234 HydrophobicContact CG1-CD1 3.85Å; I207-L234 HydrophobicContact CG2-CD1 4.18Å; I219-L234 HydrophobicContact CG2-CD2 4.01Å; L223-L234 HydrophobicContact CD2-CB 4.08Å; L223-L234 HydrophobicContact CD2-CD2 3.96Å; L223-L234 HydrophobicContact CD2-CG 4.49Å; L223-L234 HydrophobicContact CG-CD2 4.39Å; M226-L234 HydrophobicContact CE-CB 4.03Å; M226-L234 HydrophobicContact CE-CD1 4.47Å; M226-L234 HydrophobicContact SD-CB 4.5Å; M226-L234 HydrophobicContact SD-CD1 4.07Å; L234-W236 PolarHBondContact O-N 3.07Å; L234-V274 HydrophobicContact CD2-CG1 4.05Å; L234-I283 HydrophobicContact CB-CG2 4.11Å; L234-R284 PolarHBondContact N-O 3.48Å; L234-L286 PolarHBondContact O-N 2.97Å
235	H	98.9	Very high	98.9	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106	169.4	-175.6	174.6	0	0	0	107.1	I205 L206 I207 L286 E288 H350 W405 E422 E485	I205-H235 PolarHBondContact O-N 2.69Å; L206-H235 VanDerWaalsContact CA-O 3.29Å; L206-H235 WeakPolarHBondContact CA-O 3.25Å; L206-H235 HydrophobicContact CB-CB 4.06Å; L206-H235 HydrophobicContact CG-CB 4.46Å; I207-H235 PolarHBondContact N-O 2.79Å; H235-L286 HydrophobicContact CB-CD2 4.36Å; H235-E288 IonicContact CD2-OE2 2.88Å; H235-E288 IonicContact CE1-OE2 2.76Å; H235-E288 WeakPolarHBondContact NE2-CB 2.99Å; H235-E288 IonicContact NE2-OE2 3.29Å; H235-E288 PolarHBondContact NE2-OE2 3.05Å; H235-H350 AromaticContact CE1-CD2 3.35Å; H235-H350 PolarHBondContact CE1-CD2 3.29Å; H235-H350 AromaticContact CE1-CG 3.68Å; H235-H350 AromaticContact CE1-NE2 3.8Å; H235-H350 AromaticContact NE2-CD2 3.54Å; H235-H350 AromaticContact NE2-CG 3.4Å; H235-H350 AromaticContact NE2-ND1 3.97Å; H235-W405 AromaticContact CE1-CZ2 3.81Å; H235-E422 IonicContact CE1-OE2 2.9Å; H235-E422 IonicContact ND1-OE2 3.94Å; H235-E485 WeakPolarHBondContact CB-OE2 3.35Å; H235-E485 IonicContact CE1-OE2 3.47Å; H235-E485 IonicContact CG-OE2 2.73Å; H235-E485 IonicContact ND1-OE1 3.77Å; H235-E485 IonicContact ND1-OE2 3.73Å; H235-E485 PolarHBondContact ND1-OE2 3.32Å
236	W	98.9	Very high	98.9	Very high	1 Å²	1	7.7 Å²	7.7	0%	0.004	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	93.1	-175.3	-166.8	-3.6	0	0	0	109.6	I207 T209 I219 L234 I238 Y266 V271 V274 V285 L286 E288 F344	I207-W236 HydrophobicContact CG1-CG 4.46Å; T209-W236 PolarHBondContact OG1-NE1 3.3Å; I219-W236 HydrophobicContact CD1-CH2 4.27Å; I219-W236 HydrophobicContact CD1-CZ2 3.7Å; L234-W236 PolarHBondContact O-N 3.07Å; W236-I238 VanDerWaalsContact C-N 3.29Å; W236-I238 HydrophobicContact CD2-CB 4.49Å; W236-I238 HydrophobicContact CD2-CD1 4.13Å; W236-I238 HydrophobicContact CD2-CG1 4.38Å; W236-I238 HydrophobicContact CE3-CD1 4.47Å; W236-I238 HydrophobicContact CG-CB 4.23Å; W236-I238 HydrophobicContact CH2-CD1 4.19Å; W236-I238 HydrophobicContact CZ2-CD1 3.82Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.49Å; W236-I238 PolarHBondContact O-N 3.06Å; W236-Y266 HydrophobicContact CH2-CD1 4.29Å; W236-Y266 HydrophobicContact CH2-CD2 4.47Å; W236-Y266 HydrophobicContact CH2-CG 4.2Å; W236-Y266 AromaticContact CZ2-CD1 3.98Å; W236-Y266 HydrophobicContact CZ2-CD1 3.98Å; W236-Y266 AromaticContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CE1 4.03Å; W236-Y266 AromaticContact CZ2-CE2 3.77Å; W236-Y266 HydrophobicContact CZ2-CE2 3.77Å; W236-Y266 AromaticContact CZ2-CG 3.83Å; W236-Y266 HydrophobicContact CZ2-CG 3.83Å; W236-Y266 AromaticContact CZ2-CZ 3.94Å; W236-V271 HydrophobicContact CH2-CG2 4.39Å; W236-V274 HydrophobicContact CE3-CG1 4.07Å; W236-V274 HydrophobicContact CH2-CB 4.32Å; W236-V274 HydrophobicContact CH2-CG1 4.37Å; W236-V274 HydrophobicContact CH2-CG2 4.03Å; W236-V274 HydrophobicContact CZ3-CB 3.87Å; W236-V274 HydrophobicContact CZ3-CG1 3.68Å; W236-V274 HydrophobicContact CZ3-CG2 4.09Å; W236-V285 HydrophobicContact CE3-CG1 3.99Å; W236-L286 PolarHBondContact N-O 2.73Å; W236-E288 PolarHBondContact O-N 3.01Å; W236-F344 HydrophobicContact CE3-CE1 4.38Å
237	H	98.9	Very high	98.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	86.7	168.4	-170.4	98	0	0	0	109	L206 I207 D208 T209 V239 D240 E288 W489	L206-H237 HydrophobicContact CD1-CB 4.48Å; L206-H237 HydrophobicContact CD2-CB 4.14Å; L206-H237 HydrophobicContact CG-CB 4.24Å; I207-H237 WeakPolarHBondContact O-CB 3.39Å; I207-H237 PolarHBondContact O-N 3Å; D208-H237 IonicContact OD1-CD2 3.89Å; T209-H237 PolarHBondContact N-O 3.3Å; T209-H237 PolarHBondContact OG1-O 2.57Å; H237-V239 PolarHBondContact NE2-O 2.69Å; H237-D240 IonicContact CE1-OD2 2.85Å; H237-D240 PolarHBondContact CE1-OD2 3.11Å; H237-D240 IonicContact NE2-OD2 2.77Å; H237-D240 PolarHBondContact NE2-OD2 3.24Å; H237-E288 IonicContact CE1-OE2 3.59Å; H237-E288 IonicContact CG-OE2 3.85Å; H237-E288 IonicContact ND1-OE1 3.94Å; H237-E288 IonicContact ND1-OE2 3.34Å; H237-E288 PolarHBondContact ND1-OE2 2.82Å; H237-W489 HydrophobicContact CB-CZ3 4.45Å; H237-W489 AromaticContact CE1-CZ3 3.84Å; H237-W489 AromaticContact CG-CZ3 3.82Å; H237-W489 AromaticContact ND1-CZ3 3.62Å
238	I	98.9	Very high	98.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.			trans	-87.2	-28.1	-161.1	-166.1	170	0	0	0	113.2	T209 W236 P245 Y246 Y266 E288 F289	T209-I238 WeakPolarHBondContact OG1-CA 3.48Å; T209-I238 PolarHBondContact OG1-O 3.46Å; W236-I238 VanDerWaalsContact C-N 3.29Å; W236-I238 HydrophobicContact CD2-CB 4.49Å; W236-I238 HydrophobicContact CD2-CD1 4.13Å; W236-I238 HydrophobicContact CD2-CG1 4.38Å; W236-I238 HydrophobicContact CE3-CD1 4.47Å; W236-I238 HydrophobicContact CG-CB 4.23Å; W236-I238 HydrophobicContact CH2-CD1 4.19Å; W236-I238 HydrophobicContact CZ2-CD1 3.82Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.49Å; W236-I238 PolarHBondContact O-N 3.06Å; I238-P245 VanDerWaalsContact O-CD 3.29Å; I238-P245 WeakPolarHBondContact O-CD 3.23Å; I238-P245 WeakPolarHBondContact O-CG 3.49Å; I238-Y246 HydrophobicContact CD1-CD2 3.79Å; I238-Y246 HydrophobicContact CD1-CG 4.22Å; I238-Y266 HydrophobicContact CD1-CD2 4.11Å; I238-Y266 HydrophobicContact CG1-CD2 4Å; I238-Y266 HydrophobicContact CG1-CE2 4.34Å; I238-E288 WeakPolarHBondContact CG2-O 3.42Å; I238-F289 HydrophobicContact CG2-CD1 3.92Å; I238-F289 HydrophobicContact CG2-CD2 4.41Å; I238-F289 HydrophobicContact CG2-CE1 3.4Å; I238-F289 VanDerWaalsContact CG2-CE1 3.4Å; I238-F289 HydrophobicContact CG2-CE2 3.96Å; I238-F289 HydrophobicContact CG2-CG 4.4Å; I238-F289 HydrophobicContact CG2-CZ 3.44Å; I238-F289 VanDerWaalsContact CG2-CZ 3.44Å
239	V	98.9	Very high	98.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.			trans	-138.4	151.8	-177.5	-59.3	0	0	0	0	109.6	H237 F244 F289 W298	H237-V239 PolarHBondContact NE2-O 2.69Å; V239-F244 HydrophobicContact CB-CD2 3.86Å; V239-F244 HydrophobicContact CB-CE2 4.08Å; V239-F244 HydrophobicContact CB-CG 4.38Å; V239-F244 HydrophobicContact CG1-CB 4.45Å; V239-F244 HydrophobicContact CG1-CD1 4.05Å; V239-F244 HydrophobicContact CG1-CD2 3.62Å; V239-F244 HydrophobicContact CG1-CE1 4.15Å; V239-F244 HydrophobicContact CG1-CE2 3.74Å; V239-F244 HydrophobicContact CG1-CG 3.79Å; V239-F244 HydrophobicContact CG1-CZ 4Å; V239-F244 HydrophobicContact CG2-CD2 4.31Å; V239-F244 HydrophobicContact CG2-CE2 4.08Å; V239-F289 HydrophobicContact CG1-CD1 4.42Å; V239-F289 HydrophobicContact CG1-CE1 4.2Å; V239-F289 HydrophobicContact CG2-CD1 3.62Å; V239-F289 HydrophobicContact CG2-CE1 4.21Å; V239-F289 HydrophobicContact CG2-CG 4.49Å; V239-W298 HydrophobicContact CG2-CZ2 3.61Å
240	D	98.8	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-160.5	-165.1	178.4	-159.9	-89.7	0	0	0	108.8	S210 R211 H237 Q242 S243 H294 S297	S210-D240 VanDerWaalsContact OG-CA 3.31Å; S210-D240 WeakPolarHBondContact OG-CA 3.35Å; S210-D240 WeakPolarHBondContact OG-CB 3.38Å; S210-D240 PolarHBondContact OG-N 3.24Å; R211-D240 IonicContact CZ-OD1 3.97Å; R211-D240 IonicContact CZ-OD2 3.45Å; R211-D240 IonicContact NE-OD1 2.83Å; R211-D240 PolarHBondContact NE-OD1 3.27Å; R211-D240 IonicContact NE-OD2 3.41Å; R211-D240 PolarHBondContact NE-OD2 3.42Å; R211-D240 IonicContact NH1-OD2 2.93Å; R211-D240 IonicContact NH2-OD1 2.6Å; R211-D240 PolarHBondContact NH2-OD1 3.36Å; R211-D240 IonicContact NH2-OD2 3.88Å; R211-D240 PolarHBondContact NH2-OD2 3.25Å; H237-D240 IonicContact CE1-OD2 2.85Å; H237-D240 PolarHBondContact CE1-OD2 3.11Å; H237-D240 IonicContact NE2-OD2 2.77Å; H237-D240 PolarHBondContact NE2-OD2 3.24Å; D240-Q242 PolarHBondContact O-N 2.66Å; D240-Q242 PolarHBondContact OD1-OE1 3.45Å; D240-S243 PolarHBondContact N-O 2.95Å; D240-H294 CarbonylContact C-O 3.5Å; D240-H294 VanDerWaalsContact CA-O 3.23Å; D240-H294 WeakPolarHBondContact CA-O 3.35Å; D240-H294 IonicContact OD1-CG 2.7Å; D240-H294 IonicContact OD1-ND1 3.6Å; D240-H294 PolarHBondContact OD1-ND1 2.6Å; D240-H294 VanDerWaalsContact OD2-CB 3.27Å; D240-H294 WeakPolarHBondContact OD2-CB 3.47Å; D240-H294 IonicContact OD2-CG 2.93Å; D240-H294 IonicContact OD2-ND1 2.98Å; D240-S297 VanDerWaalsContact O-CB 3.22Å; D240-S297 WeakPolarHBondContact O-CB 3.47Å; D240-S297 PolarHBondContact O-OG 2.8Å
241	D	98.6	Very high	98.8	Very high	48 Å²	48	20.1 Å²	20.1	26%	0.257	10%	0.102	S	C	.	.	S	Bend	trans	-54.7	-43.9	178.5	-85.8	-19.5	0	0	0	114.3	H294 T295 L296 S297	D241-H294 PolarHBondContact N-O 3.22Å; D241-H294 VanDerWaalsContact OD1-CA 3.27Å; D241-H294 WeakPolarHBondContact OD1-CA 3.45Å; D241-T295 PolarHBondContact OD1-N 3.14Å; D241-L296 HydrophobicContact CB-CB 4.03Å; D241-L296 HydrophobicContact CB-CD1 4.12Å; D241-L296 HydrophobicContact CB-CG 4.32Å; D241-L296 VanDerWaalsContact OD1-CB 3.31Å; D241-L296 WeakPolarHBondContact OD1-CB 3.39Å; D241-L296 WeakPolarHBondContact OD1-CG 3.23Å; D241-L296 PolarHBondContact OD1-N 3.07Å; D241-S297 WeakPolarHBondContact O-CB 3.38Å; D241-S297 PolarHBondContact O-N 3.15Å; D241-S297 VanDerWaalsContact O-N 3.1Å
242	Q	98.6	Very high	98.8	Very high	87 Å²	87	22.8 Å²	22.8	41%	0.407	12%	0.119	S	C	.	.	S	Bend	trans	-79.5	-36.7	-168.1	-62.9	78.9	-1.2	0	0	112.5	R211 D240 Y260	R211-Q242 VanDerWaalsContact NE-OE1 3.08Å; D240-Q242 PolarHBondContact O-N 2.66Å; D240-Q242 PolarHBondContact OD1-OE1 3.45Å; Q242-Y260 WeakPolarHBondContact CB-OH 3.35Å
243	S	98.8	Very high	98.8	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.134	C	C	.	.			trans	-151.9	156.3	176.2	78.3	0	0	0	0	115.6	S210 D240 P245 G258 S297	S210-S243 WeakPolarHBondContact CA-OG 3.32Å; S210-S243 PolarHBondContact O-OG 3.22Å; S210-S243 PolarHBondContact OG-N 3.04Å; S210-S243 PolarHBondContact OG-O 3.27Å; D240-S243 PolarHBondContact N-O 2.95Å; S243-P245 VanDerWaalsContact C-CD 3.46Å; S243-P245 WeakPolarHBondContact O-CD 3.1Å; S243-G258 CarbonylContact C-O 3.59Å; S243-G258 VanDerWaalsContact CA-O 3.27Å; S243-G258 WeakPolarHBondContact CA-O 3.29Å; S243-S297 VanDerWaalsContact C-CB 3.44Å; S243-S297 PolarHBondContact O-OG 3.27Å
244	F	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.			trans	-117.9	78.3	173.3	-159.2	-77.5	0	0	0	109.6	V239 Y246 L254 S255 G258 S259 W298 F336	V239-F244 HydrophobicContact CB-CD2 3.86Å; V239-F244 HydrophobicContact CB-CE2 4.08Å; V239-F244 HydrophobicContact CB-CG 4.38Å; V239-F244 HydrophobicContact CG1-CB 4.45Å; V239-F244 HydrophobicContact CG1-CD1 4.05Å; V239-F244 HydrophobicContact CG1-CD2 3.62Å; V239-F244 HydrophobicContact CG1-CE1 4.15Å; V239-F244 HydrophobicContact CG1-CE2 3.74Å; V239-F244 HydrophobicContact CG1-CG 3.79Å; V239-F244 HydrophobicContact CG1-CZ 4Å; V239-F244 HydrophobicContact CG2-CD2 4.31Å; V239-F244 HydrophobicContact CG2-CE2 4.08Å; F244-Y246 VanDerWaalsContact CD1-O 3.29Å; F244-Y246 WeakPolarHBondContact CD1-O 3.42Å; F244-Y246 AromaticContact CE1-CD1 3.98Å; F244-Y246 HydrophobicContact CE1-CD1 3.98Å; F244-Y246 WeakPolarHBondContact CE1-O 3.25Å; F244-Y246 HydrophobicContact CZ-CD1 4.27Å; F244-L254 HydrophobicContact CD1-CB 3.59Å; F244-L254 HydrophobicContact CD2-CB 4.48Å; F244-L254 HydrophobicContact CE1-CB 3.43Å; F244-L254 VanDerWaalsContact CE1-CB 3.43Å; F244-L254 HydrophobicContact CE1-CD1 3.93Å; F244-L254 HydrophobicContact CE1-CG 4.28Å; F244-L254 HydrophobicContact CE2-CB 4.35Å; F244-L254 HydrophobicContact CE2-CD1 4.23Å; F244-L254 HydrophobicContact CG-CB 4.13Å; F244-L254 HydrophobicContact CZ-CB 3.86Å; F244-L254 HydrophobicContact CZ-CD1 3.6Å; F244-L254 HydrophobicContact CZ-CG 4.24Å; F244-S255 WeakPolarHBondContact O-CA 3.4Å; F244-G258 PolarHBondContact N-O 3.3Å; F244-S259 PolarHBondContact O-N 2.87Å; F244-W298 AromaticContact CD2-CD1 3.73Å; F244-W298 HydrophobicContact CD2-CD2 4.08Å; F244-W298 AromaticContact CD2-CG 3.87Å; F244-W298 HydrophobicContact CD2-CG 3.87Å; F244-W298 AromaticContact CD2-NE1 3.91Å; F244-W298 AromaticContact CE2-CD1 3.99Å; F244-W298 AromaticContact CE2-CD2 3.56Å; F244-W298 HydrophobicContact CE2-CD2 3.56Å; F244-W298 AromaticContact CE2-CE2 3.62Å; F244-W298 AromaticContact CE2-CE3 3.98Å; F244-W298 HydrophobicContact CE2-CE3 3.98Å; F244-W298 AromaticContact CE2-CG 3.86Å; F244-W298 HydrophobicContact CE2-CG 3.86Å; F244-W298 HydrophobicContact CE2-CH2 4.48Å; F244-W298 HydrophobicContact CE2-CZ2 4.11Å; F244-W298 HydrophobicContact CE2-CZ3 4.41Å; F244-W298 AromaticContact CE2-NE1 3.88Å; F244-F336 AromaticContact CZ-CE2 3.98Å; F244-F336 HydrophobicContact CZ-CE2 3.98Å; F244-F336 AromaticContact CZ-CZ 3.94Å; F244-F336 HydrophobicContact CZ-CZ 3.94Å
245	P	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.			trans	-78	-17.9	-178.2	32.3	-39.1	0	0	0	113.2	Y213 I238 S243 Q247 H264 V265 Y266	Y213-P245 HydrophobicContact CD2-CB 4.14Å; I238-P245 VanDerWaalsContact O-CD 3.29Å; I238-P245 WeakPolarHBondContact O-CD 3.23Å; I238-P245 WeakPolarHBondContact O-CG 3.49Å; S243-P245 VanDerWaalsContact C-CD 3.46Å; S243-P245 WeakPolarHBondContact O-CD 3.1Å; P245-Q247 PolarHBondContact O-N 3.07Å; P245-H264 WeakPolarHBondContact CB-O 3.46Å; P245-V265 CarbonylContact O-C 3.58Å; P245-V265 VanDerWaalsContact O-CA 3.29Å; P245-V265 WeakPolarHBondContact O-CA 3.29Å; P245-V265 WeakPolarHBondContact O-CG1 3.44Å; P245-Y266 HydrophobicContact CB-CD2 3.77Å; P245-Y266 HydrophobicContact CB-CE2 3.82Å; P245-Y266 HydrophobicContact CG-CD2 3.94Å; P245-Y266 HydrophobicContact CG-CE2 3.78Å; P245-Y266 PolarHBondContact O-N 3.48Å
246	Y	98.9	Very high	98.8	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.02	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-66.2	120.8	178.7	174.6	-109.4	0	0	0	112	I238 F244 S248 S255 V271 F289 F336 E339 I340 F344	I238-Y246 HydrophobicContact CD1-CD2 3.79Å; I238-Y246 HydrophobicContact CD1-CG 4.22Å; F244-Y246 VanDerWaalsContact CD1-O 3.29Å; F244-Y246 WeakPolarHBondContact CD1-O 3.42Å; F244-Y246 AromaticContact CE1-CD1 3.98Å; F244-Y246 HydrophobicContact CE1-CD1 3.98Å; F244-Y246 WeakPolarHBondContact CE1-O 3.25Å; F244-Y246 HydrophobicContact CZ-CD1 4.27Å; Y246-S248 PolarHBondContact O-N 3.47Å; Y246-S255 WeakPolarHBondContact O-CB 3.3Å; Y246-V271 HydrophobicContact CD2-CG2 4.28Å; Y246-V271 HydrophobicContact CE2-CG2 4.26Å; Y246-F289 AromaticContact CD1-CE1 3.6Å; Y246-F289 HydrophobicContact CD1-CE1 3.6Å; Y246-F289 AromaticContact CD1-CZ 3.72Å; Y246-F289 HydrophobicContact CD1-CZ 3.72Å; Y246-F289 HydrophobicContact CD2-CZ 4.02Å; Y246-F289 HydrophobicContact CE1-CE1 4.19Å; Y246-F289 AromaticContact CE1-CZ 3.97Å; Y246-F289 HydrophobicContact CE1-CZ 3.97Å; Y246-F289 HydrophobicContact CE2-CZ 4.25Å; Y246-F289 AromaticContact CG-CE1 3.78Å; Y246-F289 HydrophobicContact CG-CE1 3.78Å; Y246-F289 AromaticContact CG-CZ 3.75Å; Y246-F289 HydrophobicContact CG-CZ 3.75Å; Y246-F336 HydrophobicContact CD1-CE2 4.24Å; Y246-F336 HydrophobicContact CD1-CZ 4.21Å; Y246-F336 HydrophobicContact CE1-CE2 4.06Å; Y246-F336 HydrophobicContact CE1-CZ 4.2Å; Y246-E339 PolarHBondContact OH-OE1 2.86Å; Y246-I340 HydrophobicContact CD1-CD1 4.45Å; Y246-I340 HydrophobicContact CE1-CD1 3.56Å; Y246-I340 WeakPolarHBondContact OH-CD1 3.41Å; Y246-F344 HydrophobicContact CE2-CE2 4.14Å
247	Q	98.8	Very high	98.7	Very high	61 Å²	61	34.9 Å²	34.9	29%	0.285	18%	0.176	S	C	.	.			trans	-84.9	97.1	175.8	-169.4	177.1	17.8	0	0	111.6	P245 V265 Y266	P245-Q247 PolarHBondContact O-N 3.07Å; Q247-V265 HydrophobicContact CB-CG1 3.68Å; Q247-V265 HydrophobicContact CG-CG1 4.37Å; Q247-Y266 VanDerWaalsContact CB-O 3.29Å; Q247-Y266 WeakPolarHBondContact CB-O 3.36Å; Q247-Y266 PolarHBondContact N-O 3.13Å
248	S	98.8	Very high	98.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.179	C	C	.	.			trans	-70.4	138	171.2	178.8	0	0	0	0	111.7	Y246 T250 F251 P252 E339	Y246-S248 PolarHBondContact O-N 3.47Å; S248-T250 PolarHBondContact OG-N 3.18Å; S248-T250 PolarHBondContact OG-OG1 3.37Å; S248-F251 PolarHBondContact OG-N 3.29Å; S248-P252 WeakPolarHBondContact O-CA 3.21Å; S248-E339 WeakPolarHBondContact CA-OE1 3.42Å; S248-E339 WeakPolarHBondContact CB-OE1 3.35Å; S248-E339 VanDerWaalsContact OG-CD 3.32Å; S248-E339 PolarHBondContact OG-OE1 2.93Å; S248-E339 PolarHBondContact OG-OE2 2.86Å
249	I	98.7	Very high	98.7	Very high	104 Å²	104	36 Å²	36	53%	0.533	19%	0.185	S	C	.	.	S	Bend	trans	-78.3	-43	176	-63.5	175.1	0	0	0	110	P268 E339	I249-P268 HydrophobicContact CD1-CB 4.47Å; I249-P268 HydrophobicContact CD1-CG 4.16Å; I249-P268 HydrophobicContact CG1-CG 4Å; I249-E339 PolarHBondContact N-OE1 3.46Å; I249-E339 VanDerWaalsContact N-OE1 3.13Å; I249-E339 PolarHBondContact N-OE2 3.37Å; I249-E339 VanDerWaalsContact N-OE2 3.11Å
250	T	98.6	Very high	98.7	Very high	66 Å²	66	41.3 Å²	41.3	41%	0.405	21%	0.206	S	C	.	.	S	Bend	trans	-73.2	-31.5	180	49.7	0	0	0	0	112.3	S248 T335 E339	S248-T250 PolarHBondContact OG-N 3.18Å; S248-T250 PolarHBondContact OG-OG1 3.37Å; T250-T335 HydrophobicContact CG2-CG2 4.19Å; T250-E339 VanDerWaalsContact CB-OE2 3.28Å; T250-E339 WeakPolarHBondContact CB-OE2 3.17Å; T250-E339 VanDerWaalsContact CG2-OE2 3.24Å; T250-E339 WeakPolarHBondContact CG2-OE2 3.29Å; T250-E339 PolarHBondContact N-OE2 2.96Å; T250-E339 PolarHBondContact OG1-OE2 3.47Å
251	F	98.7	Very high	98.7	Very high	40 Å²	40	43.4 Å²	43.4	18%	0.175	22%	0.22	C	C	.	.			trans	-129.2	70.3	178.6	-57.8	-77	0	0	0	112.8	S248 E253 L254 F332 T335 F336	S248-F251 PolarHBondContact OG-N 3.29Å; F251-E253 PolarHBondContact O-N 2.74Å; F251-E253 VanDerWaalsContact O-N 3.07Å; F251-L254 HydrophobicContact CB-CD1 3.61Å; F251-L254 HydrophobicContact CB-CG 3.88Å; F251-L254 HydrophobicContact CG-CD1 4.4Å; F251-L254 PolarHBondContact O-N 2.87Å; F251-L254 VanDerWaalsContact O-N 3.13Å; F251-F332 HydrophobicContact CB-CE2 4.39Å; F251-F332 AromaticContact CD1-CD2 3.96Å; F251-F332 HydrophobicContact CD1-CD2 3.96Å; F251-F332 AromaticContact CD1-CE2 3.92Å; F251-F332 HydrophobicContact CD1-CE2 3.92Å; F251-F332 HydrophobicContact CD2-CD2 4.12Å; F251-F332 AromaticContact CD2-CE2 3.75Å; F251-F332 HydrophobicContact CD2-CE2 3.75Å; F251-F332 AromaticContact CE1-CD2 3.67Å; F251-F332 HydrophobicContact CE1-CD2 3.67Å; F251-F332 HydrophobicContact CE1-CE2 4.09Å; F251-F332 AromaticContact CE2-CD2 3.81Å; F251-F332 HydrophobicContact CE2-CD2 3.81Å; F251-F332 AromaticContact CE2-CE2 3.9Å; F251-F332 HydrophobicContact CE2-CE2 3.9Å; F251-F332 HydrophobicContact CG-CD2 4.18Å; F251-F332 AromaticContact CG-CE2 3.75Å; F251-F332 HydrophobicContact CG-CE2 3.75Å; F251-F332 AromaticContact CZ-CD2 3.58Å; F251-F332 HydrophobicContact CZ-CD2 3.58Å; F251-F332 HydrophobicContact CZ-CE2 4.08Å; F251-T335 HydrophobicContact CE2-CG2 3.7Å; F251-T335 HydrophobicContact CZ-CG2 3.79Å; F251-F336 HydrophobicContact CD2-CB 4.37Å; F251-F336 HydrophobicContact CD2-CD2 4.13Å; F251-F336 HydrophobicContact CE2-CB 4.11Å
252	P	98.5	Very high	98.6	Very high	56 Å²	56	47.6 Å²	47.6	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-56.5	-32.2	-176.2	-25.5	34.8	0	0	0	113.8	S248 L254 S255 N256	S248-P252 WeakPolarHBondContact O-CA 3.21Å; P252-L254 PolarHBondContact O-N 2.99Å; P252-S255 PolarHBondContact O-N 3.18Å; P252-S255 PolarHBondContact O-OG 2.99Å; P252-S255 VanDerWaalsContact O-OG 3.12Å; P252-N256 VanDerWaalsContact O-CG 3.25Å; P252-N256 PolarHBondContact O-N 3.02Å; P252-N256 VanDerWaalsContact O-N 3.11Å; P252-N256 PolarHBondContact O-ND2 2.99Å
253	E	98.7	Very high	98.6	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-64.7	-21.5	-176.7	-62.4	-58.7	107.6	0	0	114	F251 N256 K257 G301	F251-E253 PolarHBondContact O-N 2.74Å; F251-E253 VanDerWaalsContact O-N 3.07Å; E253-N256 PolarHBondContact OE1-ND2 3.21Å; E253-K257 WeakPolarHBondContact O-CB 3.41Å; E253-K257 PolarHBondContact O-N 2.95Å; E253-K257 VanDerWaalsContact O-N 3.14Å; E253-K257 WeakPolarHBondContact OE2-CE 3.04Å; E253-K257 IonicContact OE2-NZ 3.6Å; E253-K257 PolarHBondContact OE2-NZ 3.17Å; E253-G301 WeakPolarHBondContact O-CA 3.43Å
254	L	98.8	Very high	98.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-54	174.3	-65.6	172.9	0	0	0	110.5	F244 F251 P252 G258 W298 Q302 F332 F336	F244-L254 HydrophobicContact CD1-CB 3.59Å; F244-L254 HydrophobicContact CD2-CB 4.48Å; F244-L254 HydrophobicContact CE1-CB 3.43Å; F244-L254 VanDerWaalsContact CE1-CB 3.43Å; F244-L254 HydrophobicContact CE1-CD1 3.93Å; F244-L254 HydrophobicContact CE1-CG 4.28Å; F244-L254 HydrophobicContact CE2-CB 4.35Å; F244-L254 HydrophobicContact CE2-CD1 4.23Å; F244-L254 HydrophobicContact CG-CB 4.13Å; F244-L254 HydrophobicContact CZ-CB 3.86Å; F244-L254 HydrophobicContact CZ-CD1 3.6Å; F244-L254 HydrophobicContact CZ-CG 4.24Å; F251-L254 HydrophobicContact CB-CD1 3.61Å; F251-L254 HydrophobicContact CB-CG 3.88Å; F251-L254 HydrophobicContact CG-CD1 4.4Å; F251-L254 PolarHBondContact O-N 2.87Å; F251-L254 VanDerWaalsContact O-N 3.13Å; P252-L254 PolarHBondContact O-N 2.99Å; L254-G258 WeakPolarHBondContact O-CA 3.1Å; L254-G258 PolarHBondContact O-N 3.21Å; L254-W298 WeakPolarHBondContact CD2-O 3.32Å; L254-Q302 HydrophobicContact CD2-CB 3.92Å; L254-F332 HydrophobicContact CD1-CE2 4.05Å; L254-F332 HydrophobicContact CD1-CZ 3.88Å; L254-F332 HydrophobicContact CD2-CE2 4.45Å; L254-F332 HydrophobicContact CD2-CZ 4.21Å; L254-F336 HydrophobicContact CD1-CD2 4.09Å; L254-F336 HydrophobicContact CD1-CE2 3.87Å
255	S	98.7	Very high	98.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-72.6	-40.1	176.9	63.5	0	0	0	0	113.3	F244 Y246 P252 K257 S259	F244-S255 WeakPolarHBondContact O-CA 3.4Å; Y246-S255 WeakPolarHBondContact O-CB 3.3Å; P252-S255 PolarHBondContact O-N 3.18Å; P252-S255 PolarHBondContact O-OG 2.99Å; P252-S255 VanDerWaalsContact O-OG 3.12Å; S255-K257 PolarHBondContact O-N 3.1Å; S255-K257 VanDerWaalsContact O-N 3.15Å; S255-S259 VanDerWaalsContact O-CB 3.23Å; S255-S259 WeakPolarHBondContact O-CB 3.19Å; S255-S259 PolarHBondContact O-N 3.47Å; S255-S259 PolarHBondContact O-OG 3.45Å
256	N	98.6	Very high	98.6	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-29.3	-177.9	-67.9	-19.8	0	0	0	112.7	P252 E253	P252-N256 VanDerWaalsContact O-CG 3.25Å; P252-N256 PolarHBondContact O-N 3.02Å; P252-N256 VanDerWaalsContact O-N 3.11Å; P252-N256 PolarHBondContact O-ND2 2.99Å; E253-N256 PolarHBondContact OE1-ND2 3.21Å
257	K	98.7	Very high	98.6	Very high	113 Å²	113	54 Å²	54	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-116	-17.9	-176.9	-64.8	174.6	174	147.1	0	114.3	E253 S255 K300	E253-K257 WeakPolarHBondContact O-CB 3.41Å; E253-K257 PolarHBondContact O-N 2.95Å; E253-K257 VanDerWaalsContact O-N 3.14Å; E253-K257 WeakPolarHBondContact OE2-CE 3.04Å; E253-K257 IonicContact OE2-NZ 3.6Å; E253-K257 PolarHBondContact OE2-NZ 3.17Å; S255-K257 PolarHBondContact O-N 3.1Å; S255-K257 VanDerWaalsContact O-N 3.15Å; K257-K300 HydrophobicContact CB-CB 3.87Å; K257-K300 VanDerWaalsContact CD-O 3.23Å; K257-K300 WeakPolarHBondContact CD-O 3.29Å; K257-K300 VanDerWaalsContact O-CB 3.27Å; K257-K300 WeakPolarHBondContact O-CB 3.29Å
258	G	98.6	Very high	98.6	Very high	6 Å²	6	52.7 Å²	52.7	6%	0.062	28%	0.283	C	S	.	.	H	α-helix	trans	-104	-19.2	-177.4	0	0	0	0	0	114.4	S243 F244 L254	S243-G258 CarbonylContact C-O 3.59Å; S243-G258 VanDerWaalsContact CA-O 3.27Å; S243-G258 WeakPolarHBondContact CA-O 3.29Å; F244-G258 PolarHBondContact N-O 3.3Å; L254-G258 WeakPolarHBondContact O-CA 3.1Å; L254-G258 PolarHBondContact O-N 3.21Å
259	S	98.7	Very high	98.6	Very high	17 Å²	17	57 Å²	57	12%	0.119	31%	0.306	C	S	.	.	S	Bend	trans	-71.2	156.4	174.1	64.2	0	0	0	0	111.8	F244 S255 S261	F244-S259 PolarHBondContact O-N 2.87Å; S255-S259 VanDerWaalsContact O-CB 3.23Å; S255-S259 WeakPolarHBondContact O-CB 3.19Å; S255-S259 PolarHBondContact O-N 3.47Å; S255-S259 PolarHBondContact O-OG 3.45Å; S259-S261 PolarHBondContact O-N 2.84Å; S259-S261 PolarHBondContact OG-O 2.88Å
260	Y	98.6	Very high	98.6	Very high	113 Å²	113	53.6 Å²	53.6	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	-58.1	-36.4	173.9	-78.5	-56.9	0	0	0	112.7	S210 R211 Q242	S210-Y260 VanDerWaalsContact O-CE2 3.3Å; S210-Y260 WeakPolarHBondContact O-CE2 3.49Å; R211-Y260 PolarHBondContact O-OH 3.46Å; Q242-Y260 WeakPolarHBondContact CB-OH 3.35Å
261	S	98.5	Very high	98.6	Very high	43 Å²	43	50.5 Å²	50.5	30%	0.301	27%	0.27	S	S	.	.	S	Bend	trans	-166.3	168.7	170.7	75.7	0	0	0	0	109.3	S259 S263 H264	S259-S261 PolarHBondContact O-N 2.84Å; S259-S261 PolarHBondContact OG-O 2.88Å; S261-S263 PolarHBondContact O-N 3.14Å; S261-S263 PolarHBondContact OG-N 2.71Å; S261-S263 PolarHBondContact OG-OG 3.32Å; S261-H264 PolarHBondContact O-N 2.9Å; S261-H264 PolarHBondContact OG-ND1 3.35Å
262	L	97.7	Very high	98.6	Very high	137 Å²	137	55.5 Å²	55.5	72%	0.717	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.5	176.4	-64	175.3	0	0	0	115.3
263	S	98.1	Very high	98.6	Very high	92 Å²	92	56.8 Å²	56.8	64%	0.643	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.7	172.6	62.1	0	0	0	0	114.4	S261	S261-S263 PolarHBondContact O-N 3.14Å; S261-S263 PolarHBondContact OG-N 2.71Å; S261-S263 PolarHBondContact OG-OG 3.32Å
264	H	98.7	Very high	98.6	Very high	69 Å²	69	53.1 Å²	53.1	32%	0.319	27%	0.273	S	S	.	.	S	Bend	trans	-109.6	55.1	-178.9	-64.1	105.2	0	0	0	109.3	Y213 P245 S261	Y213-H264 HydrophobicContact CD1-CB 4.44Å; Y213-H264 AromaticContact CD1-CD2 3.53Å; Y213-H264 HydrophobicContact CD2-CB 3.98Å; Y213-H264 HydrophobicContact CG-CB 3.9Å; Y213-H264 AromaticContact CG-CD2 3.68Å; P245-H264 WeakPolarHBondContact CB-O 3.46Å; S261-H264 PolarHBondContact O-N 2.9Å; S261-H264 PolarHBondContact OG-ND1 3.35Å
265	V	98.8	Very high	98.6	Very high	17 Å²	17	53.6 Å²	53.6	10%	0.103	28%	0.276	C	S	.	.			trans	-131.2	144.1	-175.1	173.1	0	0	0	0	108.9	Y213 P245 Q247	Y213-V265 PolarHBondContact OH-O 3.06Å; P245-V265 CarbonylContact O-C 3.58Å; P245-V265 VanDerWaalsContact O-CA 3.29Å; P245-V265 WeakPolarHBondContact O-CA 3.29Å; P245-V265 WeakPolarHBondContact O-CG1 3.44Å; Q247-V265 HydrophobicContact CB-CG1 3.68Å; Q247-V265 HydrophobicContact CG-CG1 4.37Å
266	Y	98.9	Very high	98.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-98.1	104.2	167.5	-59.7	-61.3	0	0	0	108.7	T209 Y213 L214 V216 I219 W236 I238 P245 Q247	T209-Y266 VanDerWaalsContact CB-OH 3.25Å; T209-Y266 WeakPolarHBondContact CB-OH 3.28Å; T209-Y266 HydrophobicContact CG2-CE2 4.2Å; T209-Y266 VanDerWaalsContact CG2-OH 3.28Å; T209-Y266 WeakPolarHBondContact CG2-OH 3.34Å; T209-Y266 WeakPolarHBondContact OG1-CE2 3.39Å; Y213-Y266 HydrophobicContact CD2-CE1 4.15Å; Y213-Y266 HydrophobicContact CD2-CE2 4.06Å; Y213-Y266 AromaticContact CD2-CZ 3.7Å; Y213-Y266 AromaticContact CE2-CD1 3.88Å; Y213-Y266 HydrophobicContact CE2-CD1 3.88Å; Y213-Y266 HydrophobicContact CE2-CD2 4.4Å; Y213-Y266 AromaticContact CE2-CE1 3.38Å; Y213-Y266 HydrophobicContact CE2-CE1 3.38Å; Y213-Y266 AromaticContact CE2-CE2 3.96Å; Y213-Y266 HydrophobicContact CE2-CE2 3.96Å; Y213-Y266 HydrophobicContact CE2-CG 4.35Å; Y213-Y266 AromaticContact CE2-CZ 3.42Å; Y213-Y266 VanDerWaalsContact CE2-CZ 3.42Å; Y213-Y266 AromaticContact CZ-CE1 3.76Å; L214-Y266 PolarHBondContact N-OH 3.41Å; L214-Y266 VanDerWaalsContact N-OH 3.09Å; L214-Y266 VanDerWaalsContact O-CE1 3.26Å; L214-Y266 WeakPolarHBondContact O-CE1 3.43Å; L214-Y266 PolarHBondContact O-OH 3.21Å; V216-Y266 HydrophobicContact CG2-CD1 4.15Å; V216-Y266 HydrophobicContact CG2-CE1 4.3Å; I219-Y266 HydrophobicContact CD1-CE1 3.81Å; W236-Y266 HydrophobicContact CH2-CD1 4.29Å; W236-Y266 HydrophobicContact CH2-CD2 4.47Å; W236-Y266 HydrophobicContact CH2-CG 4.2Å; W236-Y266 AromaticContact CZ2-CD1 3.98Å; W236-Y266 HydrophobicContact CZ2-CD1 3.98Å; W236-Y266 AromaticContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CD2 3.71Å; W236-Y266 HydrophobicContact CZ2-CE1 4.03Å; W236-Y266 AromaticContact CZ2-CE2 3.77Å; W236-Y266 HydrophobicContact CZ2-CE2 3.77Å; W236-Y266 AromaticContact CZ2-CG 3.83Å; W236-Y266 HydrophobicContact CZ2-CG 3.83Å; W236-Y266 AromaticContact CZ2-CZ 3.94Å; I238-Y266 HydrophobicContact CD1-CD2 4.11Å; I238-Y266 HydrophobicContact CG1-CD2 4Å; I238-Y266 HydrophobicContact CG1-CE2 4.34Å; P245-Y266 HydrophobicContact CB-CD2 3.77Å; P245-Y266 HydrophobicContact CB-CE2 3.82Å; P245-Y266 HydrophobicContact CG-CD2 3.94Å; P245-Y266 HydrophobicContact CG-CE2 3.78Å; P245-Y266 PolarHBondContact O-N 3.48Å; Q247-Y266 VanDerWaalsContact CB-O 3.29Å; Q247-Y266 WeakPolarHBondContact CB-O 3.36Å; Q247-Y266 PolarHBondContact N-O 3.13Å
267	T	98.7	Very high	98.7	Very high	48 Å²	48	56.4 Å²	56.4	29%	0.294	28%	0.284	S	S	.	.			trans	-67.9	163.1	177.4	69.3	0	0	0	0	110.6	N269 D270 V271	T267-N269 PolarHBondContact O-N 3.35Å; T267-N269 PolarHBondContact OG1-N 2.72Å; T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.4Å; T267-D270 PolarHBondContact N-OD2 2.87Å; T267-D270 WeakPolarHBondContact O-CB 3.07Å; T267-D270 PolarHBondContact O-N 3.03Å; T267-D270 PolarHBondContact OG1-N 2.91Å; T267-D270 PolarHBondContact OG1-OD2 3.04Å; T267-V271 PolarHBondContact O-N 2.98Å
268	P	98.7	Very high	98.7	Very high	34 Å²	34	51 Å²	51	22%	0.221	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-26.9	172.2	-28	35.9	0	0	0	113.5	I249 R272	I249-P268 HydrophobicContact CD1-CB 4.47Å; I249-P268 HydrophobicContact CD1-CG 4.16Å; I249-P268 HydrophobicContact CG1-CG 4Å; P268-R272 VanDerWaalsContact O-CG 3.28Å; P268-R272 WeakPolarHBondContact O-CG 3.46Å; P268-R272 PolarHBondContact O-N 3.05Å; P268-R272 PolarHBondContact O-NH1 2.99Å
269	N	98.7	Very high	98.7	Very high	92 Å²	92	51.6 Å²	51.6	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-76.4	-38.2	175.9	-167.5	69.4	0	0	0	112.5	T267 R272 M273	T267-N269 PolarHBondContact O-N 3.35Å; T267-N269 PolarHBondContact OG1-N 2.72Å; N269-R272 PolarHBondContact O-N 2.67Å; N269-M273 WeakPolarHBondContact O-CB 3.35Å; N269-M273 PolarHBondContact O-N 3.35Å
270	D	98.8	Very high	98.7	Very high	33 Å²	33	52.1 Å²	52.1	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.4	-61	-43.1	0	0	0	111	V216 T267 R272 M273 V274	V216-D270 HydrophobicContact CG2-CB 3.71Å; T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.4Å; T267-D270 PolarHBondContact N-OD2 2.87Å; T267-D270 WeakPolarHBondContact O-CB 3.07Å; T267-D270 PolarHBondContact O-N 3.03Å; T267-D270 PolarHBondContact OG1-N 2.91Å; T267-D270 PolarHBondContact OG1-OD2 3.04Å; D270-R272 PolarHBondContact O-N 3.3Å; D270-M273 WeakPolarHBondContact O-CB 3.19Å; D270-M273 PolarHBondContact O-N 2.97Å; D270-V274 WeakPolarHBondContact O-CG2 3.46Å; D270-V274 PolarHBondContact O-N 3.25Å
271	V	98.9	Very high	98.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-46.4	177.8	177.4	0	0	0	0	110.9	W236 Y246 T267 M273 V274 I275 V343 F344	W236-V271 HydrophobicContact CH2-CG2 4.39Å; Y246-V271 HydrophobicContact CD2-CG2 4.28Å; Y246-V271 HydrophobicContact CE2-CG2 4.26Å; T267-V271 PolarHBondContact O-N 2.98Å; V271-M273 VanDerWaalsContact C-N 3.31Å; V271-M273 PolarHBondContact O-N 2.9Å; V271-V274 PolarHBondContact O-N 3.03Å; V271-I275 HydrophobicContact CG1-CD1 3.7Å; V271-I275 HydrophobicContact CG1-CG1 4.47Å; V271-I275 WeakPolarHBondContact O-CB 3.24Å; V271-I275 VanDerWaalsContact O-CG1 3.26Å; V271-I275 WeakPolarHBondContact O-CG1 3.35Å; V271-I275 PolarHBondContact O-N 3.04Å; V271-V343 HydrophobicContact CG1-CG1 3.65Å; V271-F344 HydrophobicContact CG1-CE1 3.8Å; V271-F344 HydrophobicContact CG1-CE2 4.19Å; V271-F344 HydrophobicContact CG1-CZ 3.57Å
272	R	98.8	Very high	98.7	Very high	144 Å²	144	45.6 Å²	45.6	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-40.3	174.5	-73.5	-179.2	-153	111.9	1.7	112.4	P268 N269 D270 I275 E276	P268-R272 VanDerWaalsContact O-CG 3.28Å; P268-R272 WeakPolarHBondContact O-CG 3.46Å; P268-R272 PolarHBondContact O-N 3.05Å; P268-R272 PolarHBondContact O-NH1 2.99Å; N269-R272 PolarHBondContact O-N 2.67Å; D270-R272 PolarHBondContact O-N 3.3Å; R272-I275 PolarHBondContact O-N 3.39Å; R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 PolarHBondContact O-N 3.19Å
273	M	98.8	Very high	98.8	Very high	83 Å²	83	39.1 Å²	39.1	41%	0.409	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-47.3	178.2	-175.4	-176.9	-61.5	0	0	111.2	V216 L220 N269 D270 V271 E276 Y277	V216-M273 HydrophobicContact CG1-SD 4.08Å; L220-M273 HydrophobicContact CD1-CG 4.42Å; L220-M273 HydrophobicContact CD1-SD 4.07Å; N269-M273 WeakPolarHBondContact O-CB 3.35Å; N269-M273 PolarHBondContact O-N 3.35Å; D270-M273 WeakPolarHBondContact O-CB 3.19Å; D270-M273 PolarHBondContact O-N 2.97Å; V271-M273 VanDerWaalsContact C-N 3.31Å; V271-M273 PolarHBondContact O-N 2.9Å; M273-E276 PolarHBondContact O-N 3Å; M273-Y277 WeakPolarHBondContact O-CB 3.4Å; M273-Y277 PolarHBondContact O-N 2.92Å
274	V	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-46.6	177	173.2	0	0	0	0	110.8	V216 I219 L220 L223 L234 W236 D270 V271 Y277 A278 V285	V216-V274 HydrophobicContact CG1-CG2 4.1Å; I219-V274 HydrophobicContact CG2-CG1 3.85Å; I219-V274 HydrophobicContact CG2-CG2 4.04Å; L220-V274 HydrophobicContact CD2-CG2 4.09Å; L223-V274 HydrophobicContact CD1-CG1 4.17Å; L234-V274 HydrophobicContact CD2-CG1 4.05Å; W236-V274 HydrophobicContact CE3-CG1 4.07Å; W236-V274 HydrophobicContact CH2-CB 4.32Å; W236-V274 HydrophobicContact CH2-CG1 4.37Å; W236-V274 HydrophobicContact CH2-CG2 4.03Å; W236-V274 HydrophobicContact CZ3-CB 3.87Å; W236-V274 HydrophobicContact CZ3-CG1 3.68Å; W236-V274 HydrophobicContact CZ3-CG2 4.09Å; D270-V274 WeakPolarHBondContact O-CG2 3.46Å; D270-V274 PolarHBondContact O-N 3.25Å; V271-V274 PolarHBondContact O-N 3.03Å; V274-Y277 PolarHBondContact O-N 2.75Å; V274-A278 VanDerWaalsContact O-CB 3.24Å; V274-A278 WeakPolarHBondContact O-CB 3.33Å; V274-A278 PolarHBondContact O-N 3.12Å; V274-V285 HydrophobicContact CG1-CG2 4.43Å
275	I	98.9	Very high	98.8	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-49.3	179.3	-71.7	167.4	0	0	0	111.5	F140 V271 R272 A278 R279 V285 V343 F344 P345	F140-I275 HydrophobicContact CD1-CG2 4.34Å; F140-I275 HydrophobicContact CE1-CG2 3.43Å; F140-I275 VanDerWaalsContact CE1-CG2 3.43Å; F140-I275 HydrophobicContact CZ-CG2 3.99Å; V271-I275 HydrophobicContact CG1-CD1 3.7Å; V271-I275 HydrophobicContact CG1-CG1 4.47Å; V271-I275 WeakPolarHBondContact O-CB 3.24Å; V271-I275 VanDerWaalsContact O-CG1 3.26Å; V271-I275 WeakPolarHBondContact O-CG1 3.35Å; V271-I275 PolarHBondContact O-N 3.04Å; R272-I275 PolarHBondContact O-N 3.39Å; I275-A278 PolarHBondContact O-N 3.09Å; I275-R279 WeakPolarHBondContact O-CB 3.3Å; I275-R279 PolarHBondContact O-N 3.43Å; I275-V285 HydrophobicContact CG1-CB 4.15Å; I275-V285 HydrophobicContact CG1-CG1 4.3Å; I275-V285 HydrophobicContact CG1-CG2 4.19Å; I275-V343 WeakPolarHBondContact CD1-O 3.45Å; I275-F344 HydrophobicContact CD1-CD1 3.79Å; I275-F344 HydrophobicContact CD1-CE1 4.09Å; I275-F344 HydrophobicContact CD1-CG 4.38Å; I275-F344 HydrophobicContact CG1-CD1 4.32Å; I275-P345 HydrophobicContact CG2-CG 3.8Å
276	E	98.8	Very high	98.8	Very high	71 Å²	71	31.3 Å²	31.3	33%	0.332	15%	0.149	S	C	.	.	H	α-helix	trans	-70.2	-39.3	-178.9	-176.7	58.2	-165.3	0	0	111.8	R272 M273 A278 R279 L280	R272-E276 WeakPolarHBondContact O-CB 3.43Å; R272-E276 PolarHBondContact O-N 3.19Å; M273-E276 PolarHBondContact O-N 3Å; E276-A278 VanDerWaalsContact C-N 3.3Å; E276-A278 PolarHBondContact O-N 2.89Å; E276-R279 VanDerWaalsContact CD-NE 3.31Å; E276-R279 WeakPolarHBondContact O-CB 3.43Å; E276-R279 PolarHBondContact O-N 3.03Å; E276-R279 IonicContact OE1-CZ 3.89Å; E276-R279 IonicContact OE1-NE 3.54Å; E276-R279 PolarHBondContact OE1-NE 2.73Å; E276-R279 VanDerWaalsContact OE1-NE 3.12Å; E276-R279 IonicContact OE1-NH2 2.81Å; E276-R279 PolarHBondContact OE1-NH2 2.98Å; E276-R279 WeakPolarHBondContact OE2-CD 3.46Å; E276-R279 IonicContact OE2-CZ 3.38Å; E276-R279 IonicContact OE2-NE 3.34Å; E276-R279 PolarHBondContact OE2-NE 3.27Å; E276-R279 IonicContact OE2-NH2 3.97Å; E276-L280 HydrophobicContact CG-CD1 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.32Å; E276-L280 PolarHBondContact O-N 3.33Å
277	Y	98.9	Very high	98.8	Very high	61 Å²	61	31.3 Å²	31.3	24%	0.239	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177.4	-163.6	-91.4	0	0	0	112.3	L220 L223 D224 M273 V274 R281	L220-Y277 HydrophobicContact CB-CD1 4.07Å; L220-Y277 HydrophobicContact CB-CE1 3.84Å; L220-Y277 HydrophobicContact CD1-CD2 4.23Å; L220-Y277 HydrophobicContact CD1-CE2 4.35Å; L220-Y277 HydrophobicContact CD1-CG 4.44Å; L220-Y277 HydrophobicContact CD2-CD1 3.87Å; L220-Y277 HydrophobicContact CD2-CD2 4.37Å; L220-Y277 HydrophobicContact CD2-CG 3.77Å; L220-Y277 HydrophobicContact CG-CD1 4.42Å; L220-Y277 HydrophobicContact CG-CG 4.44Å; L220-Y277 WeakPolarHBondContact O-CE1 3.37Å; L223-Y277 HydrophobicContact CB-CD1 4.06Å; L223-Y277 HydrophobicContact CB-CE1 4.3Å; L223-Y277 HydrophobicContact CD1-CD1 3.92Å; D224-Y277 PolarHBondContact OD1-OH 2.96Å; D224-Y277 PolarHBondContact OD2-OH 2.95Å; M273-Y277 WeakPolarHBondContact O-CB 3.4Å; M273-Y277 PolarHBondContact O-N 2.92Å; V274-Y277 PolarHBondContact O-N 2.75Å; Y277-R281 VanDerWaalsContact CD1-NH1 3.34Å; Y277-R281 PolarHBondContact O-NH1 3.16Å; Y277-R281 VanDerWaalsContact O-NH1 3.12Å; Y277-R281 PolarHBondContact OH-NH2 2.91Å
278	A	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.6	-46.5	172.4	0	0	0	0	0	111.3	L223 V274 I275 E276 L280 R281 G282 I283 V285	L223-A278 HydrophobicContact CD1-CB 3.87Å; L223-A278 HydrophobicContact CD2-CB 3.77Å; L223-A278 HydrophobicContact CG-CB 4.48Å; V274-A278 VanDerWaalsContact O-CB 3.24Å; V274-A278 WeakPolarHBondContact O-CB 3.33Å; V274-A278 PolarHBondContact O-N 3.12Å; I275-A278 PolarHBondContact O-N 3.09Å; E276-A278 VanDerWaalsContact C-N 3.3Å; E276-A278 PolarHBondContact O-N 2.89Å; A278-L280 VanDerWaalsContact C-N 3.33Å; A278-L280 PolarHBondContact O-N 3.4Å; A278-R281 CarbonylContact O-C 3.5Å; A278-R281 WeakPolarHBondContact O-CA 3.25Å; A278-R281 WeakPolarHBondContact O-CB 2.98Å; A278-R281 PolarHBondContact O-N 2.74Å; A278-G282 PolarHBondContact O-N 3.3Å; A278-G282 VanDerWaalsContact O-N 3.15Å; A278-I283 CarbonylContact C-O 3.48Å; A278-I283 VanDerWaalsContact C-O 3.28Å; A278-I283 HydrophobicContact CB-CB 3.96Å; A278-I283 HydrophobicContact CB-CG2 4.16Å; A278-I283 WeakPolarHBondContact CB-O 3.34Å; A278-I283 PolarHBondContact O-N 3.27Å; A278-V285 HydrophobicContact CB-CG2 3.58Å
279	R	98.8	Very high	98.9	Very high	18 Å²	18	27.4 Å²	27.4	7%	0.068	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-44.9	177.9	-168.3	-165.6	72.5	80.1	-0.9	112.3	C137 A139 F140 I275 E276 R281 G282	C137-R279 PolarHBondContact O-NH1 3.06Å; A139-R279 WeakPolarHBondContact O-CD 3.38Å; A139-R279 PolarHBondContact O-NH1 3.36Å; F140-R279 HydrophobicContact CD1-CB 3.98Å; F140-R279 HydrophobicContact CD1-CG 3.64Å; F140-R279 HydrophobicContact CE1-CB 3.91Å; F140-R279 VanDerWaalsContact CE1-CD 3.43Å; F140-R279 HydrophobicContact CE1-CG 3.85Å; F140-R279 HydrophobicContact CG-CG 4.31Å; I275-R279 WeakPolarHBondContact O-CB 3.3Å; I275-R279 PolarHBondContact O-N 3.43Å; E276-R279 VanDerWaalsContact CD-NE 3.31Å; E276-R279 WeakPolarHBondContact O-CB 3.43Å; E276-R279 PolarHBondContact O-N 3.03Å; E276-R279 IonicContact OE1-CZ 3.89Å; E276-R279 IonicContact OE1-NE 3.54Å; E276-R279 PolarHBondContact OE1-NE 2.73Å; E276-R279 VanDerWaalsContact OE1-NE 3.12Å; E276-R279 IonicContact OE1-NH2 2.81Å; E276-R279 PolarHBondContact OE1-NH2 2.98Å; E276-R279 WeakPolarHBondContact OE2-CD 3.46Å; E276-R279 IonicContact OE2-CZ 3.38Å; E276-R279 IonicContact OE2-NE 3.34Å; E276-R279 PolarHBondContact OE2-NE 3.27Å; E276-R279 IonicContact OE2-NH2 3.97Å; R279-R281 PolarHBondContact O-N 2.78Å; R279-G282 PolarHBondContact O-N 3.34Å
280	L	98.8	Very high	98.9	Very high	27 Å²	27	23.1 Å²	23.1	14%	0.141	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.8	177.2	-67.4	171.6	0	0	0	113.9	L93 R100 E276 A278	L93-L280 HydrophobicContact CB-CD2 3.98Å; L93-L280 HydrophobicContact CG-CD2 4.43Å; R100-L280 PolarHBondContact NH2-O 3.45Å; E276-L280 HydrophobicContact CG-CD1 4.37Å; E276-L280 WeakPolarHBondContact O-CG 3.32Å; E276-L280 PolarHBondContact O-N 3.33Å; A278-L280 VanDerWaalsContact C-N 3.33Å; A278-L280 PolarHBondContact O-N 3.4Å
281	R	98.8	Very high	98.8	Very high	18 Å²	18	21.5 Å²	21.5	7%	0.068	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.2	174.2	-73.3	164.2	-179.5	68.4	6.4	113.1	L169 R170 D224 A227 Y277 A278 R279 I283	L169-R281 VanDerWaalsContact CD1-C 3.4Å; R170-R281 PolarHBondContact NH1-O 2.69Å; D224-R281 IonicContact OD1-CZ 3.12Å; D224-R281 IonicContact OD1-NE 2.66Å; D224-R281 PolarHBondContact OD1-NE 3.22Å; D224-R281 IonicContact OD1-NH2 2.73Å; D224-R281 PolarHBondContact OD1-NH2 3.43Å; D224-R281 IonicContact OD2-NH2 3.35Å; A227-R281 HydrophobicContact CB-CB 4.05Å; A227-R281 HydrophobicContact CB-CG 4.03Å; Y277-R281 VanDerWaalsContact CD1-NH1 3.34Å; Y277-R281 PolarHBondContact O-NH1 3.16Å; Y277-R281 VanDerWaalsContact O-NH1 3.12Å; Y277-R281 PolarHBondContact OH-NH2 2.91Å; A278-R281 CarbonylContact O-C 3.5Å; A278-R281 WeakPolarHBondContact O-CA 3.25Å; A278-R281 WeakPolarHBondContact O-CB 2.98Å; A278-R281 PolarHBondContact O-N 2.74Å; R279-R281 PolarHBondContact O-N 2.78Å; R281-I283 VanDerWaalsContact C-N 3.32Å; R281-I283 HydrophobicContact CB-CD1 3.88Å; R281-I283 HydrophobicContact CB-CG1 4.13Å
282	G	98.8	Very high	98.8	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	38.2	-175.1	0	0	0	0	0	111.9	R170 A278 R279	R170-G282 PolarHBondContact NH2-O 3.04Å; A278-G282 PolarHBondContact O-N 3.3Å; A278-G282 VanDerWaalsContact O-N 3.15Å; R279-G282 PolarHBondContact O-N 3.34Å
283	I	98.9	Very high	98.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.069	C	C	.	.			trans	-111.6	129.2	176.6	-61	167.5	0	0	0	108.1	L223 M226 A227 N232 L234 A278 R281	L223-I283 HydrophobicContact CB-CD1 4.32Å; L223-I283 HydrophobicContact CD2-CB 4.23Å; L223-I283 HydrophobicContact CD2-CD1 3.8Å; L223-I283 HydrophobicContact CD2-CG2 3.72Å; L223-I283 WeakPolarHBondContact O-CD1 3.38Å; M226-I283 HydrophobicContact CB-CD1 3.76Å; M226-I283 HydrophobicContact CE-CD1 4.36Å; M226-I283 HydrophobicContact CE-CG2 3.79Å; A227-I283 HydrophobicContact CB-CD1 4.49Å; N232-I283 CarbonylContact O-C 3.51Å; N232-I283 WeakPolarHBondContact O-CA 3.44Å; L234-I283 HydrophobicContact CB-CG2 4.11Å; A278-I283 CarbonylContact C-O 3.48Å; A278-I283 VanDerWaalsContact C-O 3.28Å; A278-I283 HydrophobicContact CB-CB 3.96Å; A278-I283 HydrophobicContact CB-CG2 4.16Å; A278-I283 WeakPolarHBondContact CB-O 3.34Å; A278-I283 PolarHBondContact O-N 3.27Å; R281-I283 VanDerWaalsContact C-N 3.32Å; R281-I283 HydrophobicContact CB-CD1 3.88Å; R281-I283 HydrophobicContact CB-CG1 4.13Å
284	R	98.9	Very high	98.7	Very high	6 Å²	6	12 Å²	12	2%	0.023	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.2	171.5	-65.5	164.5	59.8	-142	-9.9	109.2	P141 H202 N232 V233 L234 D346	P141-R284 HydrophobicContact CB-CG 4.13Å; P141-R284 HydrophobicContact CG-CG 3.9Å; P141-R284 WeakPolarHBondContact O-CG 3.37Å; H202-R284 PolarHBondContact ND1-NH1 2.88Å; N232-R284 PolarHBondContact O-N 3.37Å; V233-R284 HydrophobicContact CG2-CB 4.29Å; L234-R284 PolarHBondContact N-O 3.48Å; R284-D346 WeakPolarHBondContact CB-OD2 3.32Å; R284-D346 WeakPolarHBondContact CG-OD2 3.47Å; R284-D346 IonicContact CZ-OD1 2.69Å; R284-D346 IonicContact CZ-OD2 2.88Å; R284-D346 IonicContact NE-OD1 3.75Å; R284-D346 IonicContact NE-OD2 3.85Å; R284-D346 PolarHBondContact NE-OD2 3.28Å; R284-D346 IonicContact NH2-OD1 3.95Å; R284-D346 PolarHBondContact NH2-OD1 3.37Å; R284-D346 IonicContact NH2-OD2 3.86Å; R284-D346 PolarHBondContact NH2-OD2 3.06Å
285	V	98.9	Very high	98.7	Very high	8 Å²	8	12.1 Å²	12.1	5%	0.048	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	105.4	170.2	-178.5	0	0	0	0	107.5	W236 V274 I275 A278 P287 F344 D346	W236-V285 HydrophobicContact CE3-CG1 3.99Å; V274-V285 HydrophobicContact CG1-CG2 4.43Å; I275-V285 HydrophobicContact CG1-CB 4.15Å; I275-V285 HydrophobicContact CG1-CG1 4.3Å; I275-V285 HydrophobicContact CG1-CG2 4.19Å; A278-V285 HydrophobicContact CB-CG2 3.58Å; V285-P287 WeakPolarHBondContact O-CD 3.49Å; V285-F344 HydrophobicContact CG1-CD1 4.06Å; V285-F344 HydrophobicContact CG1-CE1 3.99Å; V285-D346 WeakPolarHBondContact O-CB 3.44Å
286	L	98.9	Very high	98.7	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	-92.4	106.9	176.8	170.1	65.2	0	0	0	107.7	V233 L234 H235 W236 F348 H350 I403	V233-L286 HydrophobicContact CG1-CB 3.91Å; V233-L286 HydrophobicContact CG1-CD2 4.27Å; L234-L286 PolarHBondContact O-N 2.97Å; H235-L286 HydrophobicContact CB-CD2 4.36Å; W236-L286 PolarHBondContact N-O 2.73Å; L286-F348 HydrophobicContact CD1-CB 3.82Å; L286-F348 WeakPolarHBondContact CD1-O 3.19Å; L286-H350 HydrophobicContact CD1-CB 4.34Å; L286-H350 HydrophobicContact CG-CB 4.35Å; L286-I403 HydrophobicContact CD1-CD1 4.07Å; L286-I403 HydrophobicContact CD2-CD1 3.72Å
287	P	98.9	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.5	176.7	32.1	-35.2	0	0	0	110.5	V285 F289 I340 F344 I349 H350	V285-P287 WeakPolarHBondContact O-CD 3.49Å; P287-F289 HydrophobicContact CB-CD2 4.18Å; P287-F289 HydrophobicContact CB-CE2 3.87Å; P287-I340 HydrophobicContact CB-CG2 4.48Å; P287-I340 HydrophobicContact CG-CG2 4.11Å; P287-F344 HydrophobicContact CB-CD1 3.81Å; P287-F344 HydrophobicContact CB-CD2 3.93Å; P287-F344 HydrophobicContact CB-CE1 3.9Å; P287-F344 HydrophobicContact CB-CE2 4.01Å; P287-F344 HydrophobicContact CB-CG 3.83Å; P287-F344 HydrophobicContact CB-CZ 3.99Å; P287-F344 HydrophobicContact CG-CB 3.74Å; P287-F344 HydrophobicContact CG-CD1 3.89Å; P287-F344 HydrophobicContact CG-CD2 3.95Å; P287-F344 HydrophobicContact CG-CE1 4.48Å; P287-F344 HydrophobicContact CG-CG 3.59Å; P287-I349 HydrophobicContact CG-CG1 4.32Å; P287-H350 PolarHBondContact O-N 3.25Å
288	E	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	165	-179.4	168	-151.5	0	0	110.9	H235 W236 H237 I238 D290 H350 G352 W405	H235-E288 IonicContact CD2-OE2 2.88Å; H235-E288 IonicContact CE1-OE2 2.76Å; H235-E288 WeakPolarHBondContact NE2-CB 2.99Å; H235-E288 IonicContact NE2-OE2 3.29Å; H235-E288 PolarHBondContact NE2-OE2 3.05Å; W236-E288 PolarHBondContact O-N 3.01Å; H237-E288 IonicContact CE1-OE2 3.59Å; H237-E288 IonicContact CG-OE2 3.85Å; H237-E288 IonicContact ND1-OE1 3.94Å; H237-E288 IonicContact ND1-OE2 3.34Å; H237-E288 PolarHBondContact ND1-OE2 2.82Å; I238-E288 WeakPolarHBondContact CG2-O 3.42Å; E288-D290 HydrophobicContact CG-CB 4.25Å; E288-H350 WeakPolarHBondContact CA-O 3.42Å; E288-H350 HydrophobicContact CB-CB 3.74Å; E288-H350 VanDerWaalsContact CD-ND1 3.28Å; E288-H350 HydrophobicContact CG-CB 3.95Å; E288-H350 IonicContact OE1-CE1 3.09Å; E288-H350 PolarHBondContact OE1-CE1 2.84Å; E288-H350 IonicContact OE1-CG 3.47Å; E288-H350 IonicContact OE1-ND1 2.74Å; E288-H350 PolarHBondContact OE1-ND1 3.02Å; E288-G352 WeakPolarHBondContact OE1-CA 3.29Å; E288-W405 PolarHBondContact OE1-NE1 3.35Å
289	F	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.055	C	C	.	.			trans	-125.9	81.5	170.5	-71.9	-85.5	0	0	0	107.4	I238 V239 Y246 P287 W298 F336 F337 I340 F344 H350	I238-F289 HydrophobicContact CG2-CD1 3.92Å; I238-F289 HydrophobicContact CG2-CD2 4.41Å; I238-F289 HydrophobicContact CG2-CE1 3.4Å; I238-F289 VanDerWaalsContact CG2-CE1 3.4Å; I238-F289 HydrophobicContact CG2-CE2 3.96Å; I238-F289 HydrophobicContact CG2-CG 4.4Å; I238-F289 HydrophobicContact CG2-CZ 3.44Å; I238-F289 VanDerWaalsContact CG2-CZ 3.44Å; V239-F289 HydrophobicContact CG1-CD1 4.42Å; V239-F289 HydrophobicContact CG1-CE1 4.2Å; V239-F289 HydrophobicContact CG2-CD1 3.62Å; V239-F289 HydrophobicContact CG2-CE1 4.21Å; V239-F289 HydrophobicContact CG2-CG 4.49Å; Y246-F289 AromaticContact CD1-CE1 3.6Å; Y246-F289 HydrophobicContact CD1-CE1 3.6Å; Y246-F289 AromaticContact CD1-CZ 3.72Å; Y246-F289 HydrophobicContact CD1-CZ 3.72Å; Y246-F289 HydrophobicContact CD2-CZ 4.02Å; Y246-F289 HydrophobicContact CE1-CE1 4.19Å; Y246-F289 AromaticContact CE1-CZ 3.97Å; Y246-F289 HydrophobicContact CE1-CZ 3.97Å; Y246-F289 HydrophobicContact CE2-CZ 4.25Å; Y246-F289 AromaticContact CG-CE1 3.78Å; Y246-F289 HydrophobicContact CG-CE1 3.78Å; Y246-F289 AromaticContact CG-CZ 3.75Å; Y246-F289 HydrophobicContact CG-CZ 3.75Å; P287-F289 HydrophobicContact CB-CD2 4.18Å; P287-F289 HydrophobicContact CB-CE2 3.87Å; F289-W298 HydrophobicContact CB-CH2 4.01Å; F289-W298 HydrophobicContact CB-CZ2 4.13Å; F289-W298 HydrophobicContact CD1-CH2 4.29Å; F289-W298 HydrophobicContact CD1-CZ2 4.27Å; F289-F336 HydrophobicContact CB-CE1 4.13Å; F289-F336 AromaticContact CD1-CE1 3.6Å; F289-F336 HydrophobicContact CD1-CE1 3.6Å; F289-F336 AromaticContact CD1-CZ 3.5Å; F289-F336 HydrophobicContact CD1-CZ 3.5Å; F289-F336 VanDerWaalsContact CD1-CZ 3.5Å; F289-F336 HydrophobicContact CD2-CE1 4.44Å; F289-F336 HydrophobicContact CE1-CE1 4.08Å; F289-F336 AromaticContact CE1-CZ 3.56Å; F289-F336 HydrophobicContact CE1-CZ 3.56Å; F289-F336 AromaticContact CG-CE1 3.81Å; F289-F336 HydrophobicContact CG-CE1 3.81Å; F289-F336 HydrophobicContact CG-CZ 4.15Å; F289-F336 HydrophobicContact CZ-CZ 4.25Å; F289-F337 HydrophobicContact CB-CE1 4.03Å; F289-F337 HydrophobicContact CB-CZ 4.34Å; F289-I340 HydrophobicContact CD2-CD1 4.11Å; F289-I340 HydrophobicContact CD2-CG1 3.98Å; F289-I340 HydrophobicContact CD2-CG2 3.99Å; F289-I340 HydrophobicContact CE1-CD1 4.19Å; F289-I340 HydrophobicContact CE2-CB 4.46Å; F289-I340 HydrophobicContact CE2-CD1 3.43Å; F289-I340 VanDerWaalsContact CE2-CD1 3.43Å; F289-I340 HydrophobicContact CE2-CG1 3.78Å; F289-I340 HydrophobicContact CE2-CG2 3.79Å; F289-I340 HydrophobicContact CZ-CD1 3.47Å; F289-I340 VanDerWaalsContact CZ-CD1 3.47Å; F289-I340 HydrophobicContact CZ-CG1 4.26Å; F289-F344 HydrophobicContact CE2-CE2 4.08Å; F289-F344 HydrophobicContact CZ-CE2 4.36Å; F289-H350 PolarHBondContact N-O 2.85Å
290	D	98.7	Very high	98.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.079	C	C	.	.			trans	-64.7	133.3	-171.8	-174	2	0	0	0	112.2	E288 H294 T295 G352 G353	E288-D290 HydrophobicContact CG-CB 4.25Å; D290-H294 HydrophobicContact CB-CB 4.48Å; D290-H294 WeakPolarHBondContact OD2-CB 3.47Å; D290-H294 IonicContact OD2-CD2 3.92Å; D290-H294 PolarHBondContact OD2-CD2 3.3Å; D290-H294 IonicContact OD2-CG 3.22Å; D290-T295 VanDerWaalsContact O-CG2 3.28Å; D290-T295 WeakPolarHBondContact O-CG2 3.47Å; D290-G352 VanDerWaalsContact OD1-CA 3.29Å; D290-G352 WeakPolarHBondContact OD1-CA 3.28Å; D290-G353 PolarHBondContact OD1-N 3.12Å
291	T	98.7	Very high	98.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.			trans	-153.1	153.5	174.5	69.4	0	0	0	0	110.7	T295 W298 I322 L333 L351 G353 Y387	T291-T295 HydrophobicContact CG2-CG2 4Å; T291-W298 HydrophobicContact CG2-CH2 3.84Å; T291-W298 HydrophobicContact CG2-CZ2 4.05Å; T291-W298 HydrophobicContact CG2-CZ3 4.35Å; T291-I322 HydrophobicContact CG2-CD1 3.65Å; T291-L333 HydrophobicContact CG2-CD2 4.5Å; T291-L351 PolarHBondContact N-O 3.39Å; T291-G353 WeakPolarHBondContact O-CA 3.23Å; T291-Y387 WeakPolarHBondContact CB-OH 2.99Å; T291-Y387 WeakPolarHBondContact OG1-CE1 3.22Å; T291-Y387 PolarHBondContact OG1-OH 2.99Å
292	P	98.6	Very high	98.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.086	C	C	.	.	S	Bend	cis	-92	-10.1	3.7	35.3	-32.9	0	0	0	114.3	T295 P321 I322 V356 W361 Y387	P292-T295 PolarHBondContact O-OG1 3.43Å; P292-P321 HydrophobicContact CB-CB 4.33Å; P292-P321 VanDerWaalsContact O-CA 3.24Å; P292-P321 WeakPolarHBondContact O-CA 3.21Å; P292-P321 VanDerWaalsContact O-CB 3.27Å; P292-P321 WeakPolarHBondContact O-CB 3.24Å; P292-I322 HydrophobicContact CB-CB 3.9Å; P292-I322 PolarHBondContact O-N 3.4Å; P292-V356 HydrophobicContact CG-CG1 4.1Å; P292-V356 HydrophobicContact CG-CG2 3.83Å; P292-W361 HydrophobicContact CB-CZ2 4.16Å; P292-W361 HydrophobicContact CG-CH2 3.91Å; P292-W361 HydrophobicContact CG-CZ2 4.06Å; P292-Y387 HydrophobicContact CB-CD1 3.79Å; P292-Y387 HydrophobicContact CB-CE1 3.59Å; P292-Y387 HydrophobicContact CB-CE2 4.41Å; P292-Y387 HydrophobicContact CB-CG 4.32Å; P292-Y387 VanDerWaalsContact CD-CE1 3.5Å; P292-Y387 HydrophobicContact CG-CD1 3.63Å; P292-Y387 HydrophobicContact CG-CE1 3.81Å; P292-Y387 HydrophobicContact CG-CG 4.34Å
293	G	97.4	Very high	98.4	Very high	4 Å²	4	24 Å²	24	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	-64.3	-179.5	167.6	0	0	0	0	0	111.2	T295	G293-T295 WeakPolarHBondContact O-CB 3.32Å; G293-T295 WeakPolarHBondContact O-CG2 3.43Å; G293-T295 PolarHBondContact O-N 3.09Å; G293-T295 PolarHBondContact O-OG1 2.78Å
294	H	98.2	Very high	98.3	Very high	24 Å²	24	30 Å²	30	11%	0.111	15%	0.153	C	C	.	.	S	Bend	trans	50.4	37.7	165.9	-63.2	-58.8	0	0	0	115.6	R211 D240 D241 D290 D354 E355	R211-H294 PolarHBondContact NH2-ND1 3.01Å; D240-H294 CarbonylContact C-O 3.5Å; D240-H294 VanDerWaalsContact CA-O 3.23Å; D240-H294 WeakPolarHBondContact CA-O 3.35Å; D240-H294 IonicContact OD1-CG 2.7Å; D240-H294 IonicContact OD1-ND1 3.6Å; D240-H294 PolarHBondContact OD1-ND1 2.6Å; D240-H294 VanDerWaalsContact OD2-CB 3.27Å; D240-H294 WeakPolarHBondContact OD2-CB 3.47Å; D240-H294 IonicContact OD2-CG 2.93Å; D240-H294 IonicContact OD2-ND1 2.98Å; D241-H294 PolarHBondContact N-O 3.22Å; D241-H294 VanDerWaalsContact OD1-CA 3.27Å; D241-H294 WeakPolarHBondContact OD1-CA 3.45Å; D290-H294 HydrophobicContact CB-CB 4.48Å; D290-H294 WeakPolarHBondContact OD2-CB 3.47Å; D290-H294 IonicContact OD2-CD2 3.92Å; D290-H294 PolarHBondContact OD2-CD2 3.3Å; D290-H294 IonicContact OD2-CG 3.22Å; H294-D354 IonicContact CD2-OD1 3.37Å; H294-D354 IonicContact CD2-OD2 3.52Å; H294-D354 PolarHBondContact CD2-OD2 2.83Å; H294-D354 IonicContact NE2-OD1 3.56Å; H294-D354 IonicContact NE2-OD2 3.51Å; H294-D354 PolarHBondContact NE2-OD2 3.19Å; H294-E355 IonicContact CE1-OE2 3.8Å; H294-E355 IonicContact NE2-OE2 3.62Å
295	T	98.7	Very high	98.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.153	C	C	.	.			trans	-126.6	11	-169.4	47.5	0	0	0	0	114.7	D241 D290 T291 P292 G293 S297 W298 I322	D241-T295 PolarHBondContact OD1-N 3.14Å; D290-T295 VanDerWaalsContact O-CG2 3.28Å; D290-T295 WeakPolarHBondContact O-CG2 3.47Å; T291-T295 HydrophobicContact CG2-CG2 4Å; P292-T295 PolarHBondContact O-OG1 3.43Å; G293-T295 WeakPolarHBondContact O-CB 3.32Å; G293-T295 WeakPolarHBondContact O-CG2 3.43Å; G293-T295 PolarHBondContact O-N 3.09Å; G293-T295 PolarHBondContact O-OG1 2.78Å; T295-S297 PolarHBondContact O-N 3.06Å; T295-S297 VanDerWaalsContact O-N 3.14Å; T295-W298 VanDerWaalsContact CA-CD1 3.46Å; T295-W298 HydrophobicContact CG2-CD2 4.06Å; T295-W298 HydrophobicContact CG2-CG 4.06Å; T295-W298 HydrophobicContact CG2-CZ2 4.39Å; T295-W298 VanDerWaalsContact O-CB 3.27Å; T295-W298 WeakPolarHBondContact O-CB 3.31Å; T295-W298 PolarHBondContact O-N 2.9Å; T295-I322 HydrophobicContact CG2-CD1 3.77Å; T295-I322 HydrophobicContact CG2-CG1 3.9Å
296	L	98.6	Very high	98.3	Very high	67 Å²	67	30 Å²	30	35%	0.351	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.9	-178.7	-72.2	175.4	0	0	0	113.7	D241 W298 L306 F319	D241-L296 HydrophobicContact CB-CB 4.03Å; D241-L296 HydrophobicContact CB-CD1 4.12Å; D241-L296 HydrophobicContact CB-CG 4.32Å; D241-L296 VanDerWaalsContact OD1-CB 3.31Å; D241-L296 WeakPolarHBondContact OD1-CB 3.39Å; D241-L296 WeakPolarHBondContact OD1-CG 3.23Å; D241-L296 PolarHBondContact OD1-N 3.07Å; L296-W298 VanDerWaalsContact C-N 3.32Å; L296-W298 PolarHBondContact O-N 3.31Å; L296-L306 HydrophobicContact CD2-CD1 4.33Å; L296-F319 HydrophobicContact CD2-CB 4.16Å; L296-F319 WeakPolarHBondContact CD2-O 3.4Å
297	S	98.7	Very high	98.2	Very high	2 Å²	2	30 Å²	30	1%	0.014	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.1	177.3	69.8	0	0	0	0	113.1	D240 D241 S243 T295 G299 K300	D240-S297 VanDerWaalsContact O-CB 3.22Å; D240-S297 WeakPolarHBondContact O-CB 3.47Å; D240-S297 PolarHBondContact O-OG 2.8Å; D241-S297 WeakPolarHBondContact O-CB 3.38Å; D241-S297 PolarHBondContact O-N 3.15Å; D241-S297 VanDerWaalsContact O-N 3.1Å; S243-S297 VanDerWaalsContact C-CB 3.44Å; S243-S297 PolarHBondContact O-OG 3.27Å; T295-S297 PolarHBondContact O-N 3.06Å; T295-S297 VanDerWaalsContact O-N 3.14Å; S297-G299 PolarHBondContact O-N 3.23Å; S297-K300 WeakPolarHBondContact O-CB 3.38Å; S297-K300 WeakPolarHBondContact O-CG 3.41Å; S297-K300 PolarHBondContact O-N 3.06Å
298	W	98.7	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-40.2	-177.9	-61.1	53.6	0	0	0	111.2	V239 F244 L254 F289 T291 T295 L296 K300 G301 Q302 L305 F332 L333 F336	V239-W298 HydrophobicContact CG2-CZ2 3.61Å; F244-W298 AromaticContact CD2-CD1 3.73Å; F244-W298 HydrophobicContact CD2-CD2 4.08Å; F244-W298 AromaticContact CD2-CG 3.87Å; F244-W298 HydrophobicContact CD2-CG 3.87Å; F244-W298 AromaticContact CD2-NE1 3.91Å; F244-W298 AromaticContact CE2-CD1 3.99Å; F244-W298 AromaticContact CE2-CD2 3.56Å; F244-W298 HydrophobicContact CE2-CD2 3.56Å; F244-W298 AromaticContact CE2-CE2 3.62Å; F244-W298 AromaticContact CE2-CE3 3.98Å; F244-W298 HydrophobicContact CE2-CE3 3.98Å; F244-W298 AromaticContact CE2-CG 3.86Å; F244-W298 HydrophobicContact CE2-CG 3.86Å; F244-W298 HydrophobicContact CE2-CH2 4.48Å; F244-W298 HydrophobicContact CE2-CZ2 4.11Å; F244-W298 HydrophobicContact CE2-CZ3 4.41Å; F244-W298 AromaticContact CE2-NE1 3.88Å; L254-W298 WeakPolarHBondContact CD2-O 3.32Å; F289-W298 HydrophobicContact CB-CH2 4.01Å; F289-W298 HydrophobicContact CB-CZ2 4.13Å; F289-W298 HydrophobicContact CD1-CH2 4.29Å; F289-W298 HydrophobicContact CD1-CZ2 4.27Å; T291-W298 HydrophobicContact CG2-CH2 3.84Å; T291-W298 HydrophobicContact CG2-CZ2 4.05Å; T291-W298 HydrophobicContact CG2-CZ3 4.35Å; T295-W298 VanDerWaalsContact CA-CD1 3.46Å; T295-W298 HydrophobicContact CG2-CD2 4.06Å; T295-W298 HydrophobicContact CG2-CG 4.06Å; T295-W298 HydrophobicContact CG2-CZ2 4.39Å; T295-W298 VanDerWaalsContact O-CB 3.27Å; T295-W298 WeakPolarHBondContact O-CB 3.31Å; T295-W298 PolarHBondContact O-N 2.9Å; L296-W298 VanDerWaalsContact C-N 3.32Å; L296-W298 PolarHBondContact O-N 3.31Å; W298-K300 PolarHBondContact O-N 3.27Å; W298-K300 VanDerWaalsContact O-N 3.09Å; W298-G301 PolarHBondContact O-N 3.34Å; W298-G301 VanDerWaalsContact O-N 3.1Å; W298-Q302 PolarHBondContact O-N 2.87Å; W298-L305 HydrophobicContact CB-CD2 3.89Å; W298-L305 HydrophobicContact CE3-CD2 4.26Å; W298-F332 AromaticContact CE3-CE1 3.89Å; W298-F332 HydrophobicContact CE3-CE1 3.89Å; W298-F332 HydrophobicContact CE3-CZ 4.02Å; W298-F332 AromaticContact CZ3-CE1 3.91Å; W298-F332 HydrophobicContact CZ3-CE1 3.91Å; W298-F332 HydrophobicContact CZ3-CZ 4.17Å; W298-L333 HydrophobicContact CZ3-CD2 4.43Å; W298-F336 HydrophobicContact CH2-CD1 4.28Å; W298-F336 AromaticContact CH2-CE1 3.72Å; W298-F336 HydrophobicContact CH2-CE1 3.72Å; W298-F336 HydrophobicContact CH2-CZ 4.2Å; W298-F336 HydrophobicContact CZ3-CD1 4.15Å; W298-F336 AromaticContact CZ3-CE1 3.92Å; W298-F336 HydrophobicContact CZ3-CE1 3.92Å; W298-F336 HydrophobicContact CZ3-CZ 4.27Å
299	G	97.8	Very high	98.1	Very high	25 Å²	25	31.7 Å²	31.7	26%	0.258	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-14.9	-178.1	0	0	0	0	0	114.5	S297	S297-G299 PolarHBondContact O-N 3.23Å
300	K	97.3	Very high	98.1	Very high	129 Å²	129	34.1 Å²	34.1	56%	0.561	17%	0.174	S	C	*	.	H	α-helix	trans	-69.8	-37.6	174.6	-49.3	-59.1	179.8	-174.4	0	111.5	K257 S297 W298	K257-K300 HydrophobicContact CB-CB 3.87Å; K257-K300 VanDerWaalsContact CD-O 3.23Å; K257-K300 WeakPolarHBondContact CD-O 3.29Å; K257-K300 VanDerWaalsContact O-CB 3.27Å; K257-K300 WeakPolarHBondContact O-CB 3.29Å; S297-K300 WeakPolarHBondContact O-CB 3.38Å; S297-K300 WeakPolarHBondContact O-CG 3.41Å; S297-K300 PolarHBondContact O-N 3.06Å; W298-K300 PolarHBondContact O-N 3.27Å; W298-K300 VanDerWaalsContact O-N 3.09Å
301	G	97.1	Very high	97.8	Very high	12 Å²	12	37.2 Å²	37.2	12%	0.124	20%	0.196	C	C	.	.	H	α-helix	trans	-95.4	-33.4	-178.2	0	0	0	0	0	114.3	E253 W298	E253-G301 WeakPolarHBondContact O-CA 3.43Å; W298-G301 PolarHBondContact O-N 3.34Å; W298-G301 VanDerWaalsContact O-N 3.1Å
302	Q	98.4	Very high	97.2	Very high	50 Å²	50	48.5 Å²	48.5	23%	0.234	24%	0.238	C	C	.	.	S	Bend	trans	-111	102.6	-176.9	-171.7	64.5	26.2	0	0	111.3	L254 W298 L305 F332	L254-Q302 HydrophobicContact CD2-CB 3.92Å; W298-Q302 PolarHBondContact O-N 2.87Å; Q302-L305 HydrophobicContact CB-CB 4.09Å; Q302-L305 HydrophobicContact CB-CD2 3.96Å; Q302-L305 HydrophobicContact CG-CB 3.83Å; Q302-L305 HydrophobicContact CG-CD2 4.07Å; Q302-L305 HydrophobicContact CG-CG 4.38Å; Q302-L305 WeakPolarHBondContact O-CB 3.28Å; Q302-L305 PolarHBondContact O-N 2.91Å; Q302-F332 HydrophobicContact CB-CE2 4.24Å; Q302-F332 HydrophobicContact CB-CZ 4.45Å; Q302-F332 VanDerWaalsContact CD-CD2 3.49Å; Q302-F332 HydrophobicContact CG-CD1 4.44Å; Q302-F332 HydrophobicContact CG-CD2 3.75Å; Q302-F332 HydrophobicContact CG-CE2 3.88Å; Q302-F332 HydrophobicContact CG-CG 4.05Å; Q302-F332 HydrophobicContact CG-CZ 4.31Å
303	K	97.2	Very high	96.4	Very high	173 Å²	173	56.9 Å²	56.9	75%	0.752	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	146.4	178.3	-66.1	-174.1	179.6	-178.3	0	111.4	L305	K303-L305 PolarHBondContact O-N 2.73Å; K303-L305 VanDerWaalsContact O-N 3.11Å
304	D	96.8	Very high	96	Very high	128 Å²	128	62.4 Å²	62.4	68%	0.684	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	15	178.7	-55	-44.6	0	0	0	115.2	L326	D304-L326 WeakPolarHBondContact O-CD1 3.25Å
305	L	98.6	Very high	95.7	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.021	33%	0.327	C	S	.	.			trans	-77.5	-50.3	175.7	-177.7	64.4	0	0	0	112.1	W298 Q302 K303 I322 N323 T329 F332	W298-L305 HydrophobicContact CB-CD2 3.89Å; W298-L305 HydrophobicContact CE3-CD2 4.26Å; Q302-L305 HydrophobicContact CB-CB 4.09Å; Q302-L305 HydrophobicContact CB-CD2 3.96Å; Q302-L305 HydrophobicContact CG-CB 3.83Å; Q302-L305 HydrophobicContact CG-CD2 4.07Å; Q302-L305 HydrophobicContact CG-CG 4.38Å; Q302-L305 WeakPolarHBondContact O-CB 3.28Å; Q302-L305 PolarHBondContact O-N 2.91Å; K303-L305 PolarHBondContact O-N 2.73Å; K303-L305 VanDerWaalsContact O-N 3.11Å; L305-I322 HydrophobicContact CD1-CD1 4.3Å; L305-I322 HydrophobicContact CD1-CG1 4.42Å; L305-I322 HydrophobicContact CD1-CG2 4.02Å; L305-I322 HydrophobicContact CD2-CD1 4.35Å; L305-I322 HydrophobicContact CD2-CG1 4.5Å; L305-I322 HydrophobicContact CG-CD1 4.37Å; L305-I322 HydrophobicContact CG-CG1 4.18Å; L305-N323 WeakPolarHBondContact O-CB 3.42Å; L305-N323 PolarHBondContact O-N 2.98Å; L305-T329 HydrophobicContact CD1-CG2 4.06Å; L305-F332 HydrophobicContact CD1-CD1 3.79Å; L305-F332 HydrophobicContact CD1-CE1 4.18Å; L305-F332 HydrophobicContact CD2-CD1 4.23Å; L305-F332 HydrophobicContact CD2-CE1 3.8Å; L305-F332 HydrophobicContact CD2-CZ 4.35Å
306	L	98.6	Very high	95.4	Very high	8 Å²	8	70.6 Å²	70.6	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	152.2	-175.9	-57.3	-173.8	0	0	0	112.1	L296 P308 F319 I322	L296-L306 HydrophobicContact CD2-CD1 4.33Å; L306-P308 VanDerWaalsContact O-CD 3.29Å; L306-P308 WeakPolarHBondContact O-CD 3.26Å; L306-F319 HydrophobicContact CB-CB 3.97Å; L306-F319 HydrophobicContact CB-CD1 3.9Å; L306-F319 HydrophobicContact CB-CG 4.26Å; L306-F319 HydrophobicContact CD1-CB 4Å; L306-I322 HydrophobicContact CD2-CG1 3.93Å
307	T	98.6	Very high	95.1	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.1	175.5	-56	0	0	0	0	110.2	F319 G320 P321 N323 C360 W361 N364 I367	T307-F319 CarbonylContact O-C 3.34Å; T307-F319 VanDerWaalsContact O-CA 3.3Å; T307-F319 WeakPolarHBondContact O-CA 3.38Å; T307-G320 PolarHBondContact O-N 3.37Å; T307-P321 VanDerWaalsContact CB-O 3.3Å; T307-P321 WeakPolarHBondContact CB-O 3.28Å; T307-P321 PolarHBondContact N-O 3.05Å; T307-P321 PolarHBondContact OG1-O 3.21Å; T307-N323 WeakPolarHBondContact OG1-CA 3.42Å; T307-C360 PolarHBondContact O-SG 3.02Å; T307-C360 VanDerWaalsContact O-SG 3.34Å; T307-W361 PolarHBondContact OG1-NE1 3.12Å; T307-N364 HydrophobicContact CG2-CB 3.9Å; T307-N364 WeakPolarHBondContact CG2-ND2 2.89Å; T307-I367 HydrophobicContact CG2-CD1 3.45Å; T307-I367 VanDerWaalsContact CG2-CD1 3.45Å
308	P	98	Very high	94.9	Very high	24 Å²	24	77.8 Å²	77.8	16%	0.156	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132	168	-10.4	25.9	0	0	0	110.2	L306 Y310 K315 F319 N364	L306-P308 VanDerWaalsContact O-CD 3.29Å; L306-P308 WeakPolarHBondContact O-CD 3.26Å; P308-Y310 HydrophobicContact CB-CE2 4.43Å; P308-Y310 WeakPolarHBondContact O-CD2 3.45Å; P308-Y310 WeakPolarHBondContact O-CE2 3.28Å; P308-K315 HydrophobicContact CB-CD 4.39Å; P308-K315 VanDerWaalsContact CB-CE 3.48Å; P308-K315 HydrophobicContact CB-CG 4.35Å; P308-F319 HydrophobicContact CB-CD1 4.43Å; P308-F319 HydrophobicContact CB-CE1 4.28Å; P308-F319 HydrophobicContact CG-CE1 4.22Å; P308-N364 PolarHBondContact O-ND2 2.9Å
309	C	97.7	Very high	94.9	Very high	12 Å²	12	82.6 Å²	82.6	8%	0.081	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	157.4	-179.9	-47	0	0	0	0	111.4	L316 S318 G320 C360	C309-L316 HydrophobicContact CB-CD1 4.34Å; C309-L316 PolarHBondContact O-N 2.86Å; C309-S318 PolarHBondContact N-O 2.86Å; C309-S318 PolarHBondContact SG-O 3.02Å; C309-G320 PolarHBondContact SG-N 2.63Å; C309-C360 WeakPolarHBondContact CA-SG 3.42Å; C309-C360 HydrophobicContact CB-CB 4.1Å; C309-C360 WeakPolarHBondContact CB-SG 3.29Å; C309-C360 PolarHBondContact N-SG 3.2Å; C309-C360 VanDerWaalsContact N-SG 3.43Å; C309-C360 WeakPolarHBondContact SG-CB 3.46Å; C309-C360 CovalentContact SG-SG 2.05Å; C309-C360 PolarHBondContact SG-SG 3.3Å
310	Y	97.4	Very high	94.9	Very high	52 Å²	52	82.1 Å²	82.1	20%	0.204	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	150.1	179.8	-71.3	-105.4	0	0	0	110.8	P308 N314 K315 S363 N364 P365	P308-Y310 HydrophobicContact CB-CE2 4.43Å; P308-Y310 WeakPolarHBondContact O-CD2 3.45Å; P308-Y310 WeakPolarHBondContact O-CE2 3.28Å; Y310-N314 CarbonylContact C-O 3.56Å; Y310-N314 VanDerWaalsContact CA-O 3.3Å; Y310-N314 WeakPolarHBondContact CA-O 3.4Å; Y310-K315 HydrophobicContact CD1-CB 4.07Å; Y310-K315 HydrophobicContact CE1-CB 3.63Å; Y310-K315 HydrophobicContact CE1-CG 4.23Å; Y310-K315 HydrophobicContact CE2-CG 4.46Å; Y310-S363 WeakPolarHBondContact CB-O 3.09Å; Y310-S363 PolarHBondContact N-OG 3.19Å; Y310-S363 WeakPolarHBondContact O-CB 3.23Å; Y310-N364 HydrophobicContact CD2-CB 4.16Å; Y310-N364 HydrophobicContact CE2-CB 4.37Å; Y310-N364 WeakPolarHBondContact CE2-ND2 3.22Å; Y310-P365 HydrophobicContact CD1-CG 4.39Å; Y310-P365 HydrophobicContact CE1-CG 4.45Å
311	S	93.8	Very high	94.9	Very high	66 Å²	66	76.4 Å²	76.4	46%	0.462	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.2	161.4	-179.3	0	0	0	0	107.5	Q313 N314	S311-Q313 PolarHBondContact O-N 3.46Å; S311-Q313 VanDerWaalsContact O-N 3.13Å; S311-N314 PolarHBondContact N-O 2.73Å; S311-N314 PolarHBondContact O-N 2.68Å
312	R	84.4	Confident	95	Very high	237 Å²	237	75.9 Å²	75.9	89%	0.894	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-111.2	-167.8	-54.3	177.3	179.4	179	-0.7	110.7
313	Q	82.6	Confident	95	Very high	177 Å²	177	73.9 Å²	73.9	83%	0.827	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.2	178.4	-66.2	-178.9	-3.9	0	0	112.9	S311	S311-Q313 PolarHBondContact O-N 3.46Å; S311-Q313 VanDerWaalsContact O-N 3.13Å
314	N	88.8	Confident	95.1	Very high	119 Å²	119	65.7 Å²	65.7	64%	0.636	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.5	-177.3	-66.4	-25	0	0	0	109.8	Y310 S311 L316	Y310-N314 CarbonylContact C-O 3.56Å; Y310-N314 VanDerWaalsContact CA-O 3.3Å; Y310-N314 WeakPolarHBondContact CA-O 3.4Å; S311-N314 PolarHBondContact N-O 2.73Å; S311-N314 PolarHBondContact O-N 2.68Å; N314-L316 PolarHBondContact O-N 2.89Å
315	K	92.1	Very high	95.1	Very high	128 Å²	128	60.8 Å²	60.8	56%	0.557	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	129.4	171	-174.3	-177.9	175.1	-172.6	0	109.1	P308 Y310	P308-K315 HydrophobicContact CB-CD 4.39Å; P308-K315 VanDerWaalsContact CB-CE 3.48Å; P308-K315 HydrophobicContact CB-CG 4.35Å; Y310-K315 HydrophobicContact CD1-CB 4.07Å; Y310-K315 HydrophobicContact CE1-CB 3.63Å; Y310-K315 HydrophobicContact CE1-CG 4.23Å; Y310-K315 HydrophobicContact CE2-CG 4.46Å
316	L	93.4	Very high	95.1	Very high	69 Å²	69	63.1 Å²	63.1	36%	0.361	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	163	172.7	-58.1	177.9	0	0	0	110.2	C309 N314 S318	C309-L316 HydrophobicContact CB-CD1 4.34Å; C309-L316 PolarHBondContact O-N 2.86Å; N314-L316 PolarHBondContact O-N 2.89Å; L316-S318 PolarHBondContact O-N 3.39Å
317	D	91.6	Very high	95.1	Very high	163 Å²	163	69.5 Å²	69.5	87%	0.872	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	-11.4	172.3	-66.8	-30.4	0	0	0	112.6
318	S	94.3	Very high	95.1	Very high	58 Å²	58	73.6 Å²	73.6	41%	0.406	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	148.9	178.6	63.7	0	0	0	0	112.2	C309 L316	C309-S318 PolarHBondContact N-O 2.86Å; C309-S318 PolarHBondContact SG-O 3.02Å; L316-S318 PolarHBondContact O-N 3.39Å
319	F	97.7	Very high	95.1	Very high	101 Å²	101	72.5 Å²	72.5	44%	0.443	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.2	173.2	-64.9	-90.9	0	0	0	109.6	L296 L306 T307 P308	L296-F319 HydrophobicContact CD2-CB 4.16Å; L296-F319 WeakPolarHBondContact CD2-O 3.4Å; L306-F319 HydrophobicContact CB-CB 3.97Å; L306-F319 HydrophobicContact CB-CD1 3.9Å; L306-F319 HydrophobicContact CB-CG 4.26Å; L306-F319 HydrophobicContact CD1-CB 4Å; T307-F319 CarbonylContact O-C 3.34Å; T307-F319 VanDerWaalsContact O-CA 3.3Å; T307-F319 WeakPolarHBondContact O-CA 3.38Å; P308-F319 HydrophobicContact CB-CD1 4.43Å; P308-F319 HydrophobicContact CB-CE1 4.28Å; P308-F319 HydrophobicContact CG-CE1 4.22Å
320	G	97.7	Very high	95.2	Very high	14 Å²	14	72.9 Å²	72.9	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-151.4	171.6	0	0	0	0	0	110.8	T307 C309 C360	T307-G320 PolarHBondContact O-N 3.37Å; C309-G320 PolarHBondContact SG-N 2.63Å; G320-C360 PolarHBondContact N-SG 2.89Å; G320-C360 VanDerWaalsContact N-SG 3.36Å
321	P	98.5	Very high	95.2	Very high	10 Å²	10	74.1 Å²	74.1	7%	0.065	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	160.1	-177.3	-26.8	35.2	0	0	0	113.6	P292 T307 N323 V356 W361	P292-P321 HydrophobicContact CB-CB 4.33Å; P292-P321 VanDerWaalsContact O-CA 3.24Å; P292-P321 WeakPolarHBondContact O-CA 3.21Å; P292-P321 VanDerWaalsContact O-CB 3.27Å; P292-P321 WeakPolarHBondContact O-CB 3.24Å; T307-P321 VanDerWaalsContact CB-O 3.3Å; T307-P321 WeakPolarHBondContact CB-O 3.28Å; T307-P321 PolarHBondContact N-O 3.05Å; T307-P321 PolarHBondContact OG1-O 3.21Å; P321-N323 PolarHBondContact O-N 3.28Å; P321-V356 HydrophobicContact CB-CG1 4.1Å; P321-V356 HydrophobicContact CG-CG1 3.84Å; P321-W361 HydrophobicContact CB-CZ2 3.84Å
322	I	98.7	Very high	95.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.7	136.9	172.2	-70.4	-173.9	0	0	0	110.1	T291 P292 T295 L305 L306 P324 T329 W361 Y387	T291-I322 HydrophobicContact CG2-CD1 3.65Å; P292-I322 HydrophobicContact CB-CB 3.9Å; P292-I322 PolarHBondContact O-N 3.4Å; T295-I322 HydrophobicContact CG2-CD1 3.77Å; T295-I322 HydrophobicContact CG2-CG1 3.9Å; L305-I322 HydrophobicContact CD1-CD1 4.3Å; L305-I322 HydrophobicContact CD1-CG1 4.42Å; L305-I322 HydrophobicContact CD1-CG2 4.02Å; L305-I322 HydrophobicContact CD2-CD1 4.35Å; L305-I322 HydrophobicContact CD2-CG1 4.5Å; L305-I322 HydrophobicContact CG-CD1 4.37Å; L305-I322 HydrophobicContact CG-CG1 4.18Å; L306-I322 HydrophobicContact CD2-CG1 3.93Å; I322-P324 WeakPolarHBondContact O-CD 3.38Å; I322-T329 HydrophobicContact CG2-CG2 3.33Å; I322-W361 WeakPolarHBondContact O-CZ2 3.48Å; I322-W361 PolarHBondContact O-NE1 3Å; I322-Y387 HydrophobicContact CG2-CE2 3.82Å
323	N	98.6	Very high	96.1	Very high	9 Å²	9	60 Å²	60	5%	0.048	32%	0.321	C	S	.	.			trans	-78.8	109.4	179.8	-173.1	-21.2	0	0	0	110.3	L305 T307 P321 T325 L326 T329	L305-N323 WeakPolarHBondContact O-CB 3.42Å; L305-N323 PolarHBondContact O-N 2.98Å; T307-N323 WeakPolarHBondContact OG1-CA 3.42Å; P321-N323 PolarHBondContact O-N 3.28Å; N323-T325 PolarHBondContact O-N 2.97Å; N323-T325 WeakPolarHBondContact OD1-CB 3.11Å; N323-T325 PolarHBondContact OD1-N 2.74Å; N323-T325 PolarHBondContact OD1-OG1 3.13Å; N323-L326 HydrophobicContact CB-CD1 4.26Å; N323-L326 HydrophobicContact CB-CG 4.47Å; N323-T329 WeakPolarHBondContact O-CB 3.35Å; N323-T329 PolarHBondContact O-OG1 2.67Å
324	P	98.4	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.2	-173.1	36.9	-35.9	0	0	0	112.6	I322 Y330 W361 L383 Y387	I322-P324 WeakPolarHBondContact O-CD 3.38Å; P324-Y330 VanDerWaalsContact O-CE2 3.28Å; P324-Y330 WeakPolarHBondContact O-CE2 3.28Å; P324-Y330 PolarHBondContact O-OH 2.98Å; P324-W361 HydrophobicContact CG-CH2 4.42Å; P324-W361 HydrophobicContact CG-CZ2 3.93Å; P324-L383 HydrophobicContact CB-CD1 4.47Å; P324-L383 HydrophobicContact CG-CD1 3.79Å; P324-L383 HydrophobicContact CG-CD2 3.76Å; P324-L383 HydrophobicContact CG-CG 3.6Å; P324-Y387 HydrophobicContact CB-CD2 3.83Å; P324-Y387 HydrophobicContact CB-CG 4.16Å
325	T	98.4	Very high	97.4	Very high	25 Å²	25	52 Å²	52	15%	0.153	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-10	-174.3	71	0	0	0	0	113.2	N323 I367 F370	N323-T325 PolarHBondContact O-N 2.97Å; N323-T325 WeakPolarHBondContact OD1-CB 3.11Å; N323-T325 PolarHBondContact OD1-N 2.74Å; N323-T325 PolarHBondContact OD1-OG1 3.13Å; T325-I367 HydrophobicContact CG2-CB 4.4Å; T325-I367 HydrophobicContact CG2-CG1 3.87Å; T325-I367 HydrophobicContact CG2-CG2 4.43Å; T325-F370 HydrophobicContact CG2-CB 3.63Å; T325-F370 HydrophobicContact CG2-CD1 3.59Å; T325-F370 HydrophobicContact CG2-CD2 4.09Å; T325-F370 HydrophobicContact CG2-CE1 4.21Å; T325-F370 HydrophobicContact CG2-CG 3.51Å
326	L	98.2	Very high	97.7	Very high	54 Å²	54	45.9 Å²	45.9	28%	0.283	26%	0.262	S	S	.	.			trans	-101.6	136.4	-173.9	-56.2	179.2	0	0	0	111.9	D304 N323 T328 T329 Y330	D304-L326 WeakPolarHBondContact O-CD1 3.25Å; N323-L326 HydrophobicContact CB-CD1 4.26Å; N323-L326 HydrophobicContact CB-CG 4.47Å; L326-T328 VanDerWaalsContact C-N 3.27Å; L326-T328 PolarHBondContact O-N 2.9Å; L326-T329 WeakPolarHBondContact O-CB 3.46Å; L326-T329 PolarHBondContact O-N 3.03Å; L326-Y330 VanDerWaalsContact O-CD2 3.29Å; L326-Y330 WeakPolarHBondContact O-CD2 3.45Å
327	N	97.9	Very high	97.9	Very high	142 Å²	142	42.6 Å²	42.6	76%	0.759	25%	0.245	S	C	*	.	H	α-helix	trans	-66.6	-30.6	174.2	-72.8	-10.4	0	0	0	112.5	T329 Y330 S331	N327-T329 PolarHBondContact O-N 2.96Å; N327-Y330 PolarHBondContact O-N 2.94Å; N327-S331 PolarHBondContact O-N 2.87Å
328	T	98.4	Very high	98.3	Very high	86 Å²	86	39.2 Å²	39.2	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-35.4	176.7	45.7	0	0	0	0	111.9	L326 S331 F332	L326-T328 VanDerWaalsContact C-N 3.27Å; L326-T328 PolarHBondContact O-N 2.9Å; T328-S331 PolarHBondContact O-N 3.38Å; T328-F332 WeakPolarHBondContact O-CB 3.46Å; T328-F332 PolarHBondContact O-N 3.47Å
329	T	98.7	Very high	98.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-56.5	-55.1	173	-59.6	0	0	0	0	111	L305 I322 N323 L326 N327 S331 F332 L333 Y387	L305-T329 HydrophobicContact CD1-CG2 4.06Å; I322-T329 HydrophobicContact CG2-CG2 3.33Å; N323-T329 WeakPolarHBondContact O-CB 3.35Å; N323-T329 PolarHBondContact O-OG1 2.67Å; L326-T329 WeakPolarHBondContact O-CB 3.46Å; L326-T329 PolarHBondContact O-N 3.03Å; N327-T329 PolarHBondContact O-N 2.96Å; T329-S331 VanDerWaalsContact C-N 3.35Å; T329-S331 PolarHBondContact O-N 3.38Å; T329-F332 WeakPolarHBondContact O-CB 3.08Å; T329-F332 PolarHBondContact O-N 3.07Å; T329-L333 HydrophobicContact CG2-CD1 3.89Å; T329-L333 VanDerWaalsContact O-CG 3.32Å; T329-L333 WeakPolarHBondContact O-CG 3.05Å; T329-L333 PolarHBondContact O-N 3.29Å; T329-Y387 HydrophobicContact CG2-CE2 4.25Å
330	Y	98.7	Very high	98.5	Very high	20 Å²	20	32.3 Å²	32.3	8%	0.078	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-34.4	-176.5	-58.4	-70.4	0	0	0	112.3	P324 L326 N327 L333 T334 F386 Y387 K390	P324-Y330 VanDerWaalsContact O-CE2 3.28Å; P324-Y330 WeakPolarHBondContact O-CE2 3.28Å; P324-Y330 PolarHBondContact O-OH 2.98Å; L326-Y330 VanDerWaalsContact O-CD2 3.29Å; L326-Y330 WeakPolarHBondContact O-CD2 3.45Å; N327-Y330 PolarHBondContact O-N 2.94Å; Y330-L333 PolarHBondContact O-N 2.93Å; Y330-T334 WeakPolarHBondContact O-CB 3.3Å; Y330-T334 PolarHBondContact O-N 3.42Å; Y330-T334 PolarHBondContact O-OG1 3.08Å; Y330-F386 WeakPolarHBondContact OH-CE1 3.49Å; Y330-Y387 AromaticContact CE1-CD2 3.98Å; Y330-Y387 HydrophobicContact CE1-CD2 3.98Å; Y330-Y387 HydrophobicContact CE1-CE2 4.38Å; Y330-K390 HydrophobicContact CD1-CB 3.8Å; Y330-K390 HydrophobicContact CD1-CD 3.85Å; Y330-K390 HydrophobicContact CD1-CG 4.47Å; Y330-K390 HydrophobicContact CD2-CD 4.24Å; Y330-K390 HydrophobicContact CE1-CB 3.56Å; Y330-K390 HydrophobicContact CE1-CD 3.37Å; Y330-K390 HydrophobicContact CE1-CG 4.12Å; Y330-K390 HydrophobicContact CE2-CD 3.82Å; Y330-K390 HydrophobicContact CG-CD 4.25Å
331	S	98.4	Very high	98.6	Very high	78 Å²	78	32.4 Å²	32.4	55%	0.545	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-43.1	174.1	-170.5	0	0	0	0	111.6	N327 T328 T329 T334 T335	N327-S331 PolarHBondContact O-N 2.87Å; T328-S331 PolarHBondContact O-N 3.38Å; T329-S331 VanDerWaalsContact C-N 3.35Å; T329-S331 PolarHBondContact O-N 3.38Å; S331-T334 PolarHBondContact O-N 3.42Å; S331-T335 PolarHBondContact O-N 2.95Å; S331-T335 PolarHBondContact O-OG1 2.99Å
332	F	98.7	Very high	98.6	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-52.5	174.1	163.6	-99.8	0	0	0	111	F251 L254 W298 Q302 L305 T328 T329 T334 T335 F336	F251-F332 HydrophobicContact CB-CE2 4.39Å; F251-F332 AromaticContact CD1-CD2 3.96Å; F251-F332 HydrophobicContact CD1-CD2 3.96Å; F251-F332 AromaticContact CD1-CE2 3.92Å; F251-F332 HydrophobicContact CD1-CE2 3.92Å; F251-F332 HydrophobicContact CD2-CD2 4.12Å; F251-F332 AromaticContact CD2-CE2 3.75Å; F251-F332 HydrophobicContact CD2-CE2 3.75Å; F251-F332 AromaticContact CE1-CD2 3.67Å; F251-F332 HydrophobicContact CE1-CD2 3.67Å; F251-F332 HydrophobicContact CE1-CE2 4.09Å; F251-F332 AromaticContact CE2-CD2 3.81Å; F251-F332 HydrophobicContact CE2-CD2 3.81Å; F251-F332 AromaticContact CE2-CE2 3.9Å; F251-F332 HydrophobicContact CE2-CE2 3.9Å; F251-F332 HydrophobicContact CG-CD2 4.18Å; F251-F332 AromaticContact CG-CE2 3.75Å; F251-F332 HydrophobicContact CG-CE2 3.75Å; F251-F332 AromaticContact CZ-CD2 3.58Å; F251-F332 HydrophobicContact CZ-CD2 3.58Å; F251-F332 HydrophobicContact CZ-CE2 4.08Å; L254-F332 HydrophobicContact CD1-CE2 4.05Å; L254-F332 HydrophobicContact CD1-CZ 3.88Å; L254-F332 HydrophobicContact CD2-CE2 4.45Å; L254-F332 HydrophobicContact CD2-CZ 4.21Å; W298-F332 AromaticContact CE3-CE1 3.89Å; W298-F332 HydrophobicContact CE3-CE1 3.89Å; W298-F332 HydrophobicContact CE3-CZ 4.02Å; W298-F332 AromaticContact CZ3-CE1 3.91Å; W298-F332 HydrophobicContact CZ3-CE1 3.91Å; W298-F332 HydrophobicContact CZ3-CZ 4.17Å; Q302-F332 HydrophobicContact CB-CE2 4.24Å; Q302-F332 HydrophobicContact CB-CZ 4.45Å; Q302-F332 VanDerWaalsContact CD-CD2 3.49Å; Q302-F332 HydrophobicContact CG-CD1 4.44Å; Q302-F332 HydrophobicContact CG-CD2 3.75Å; Q302-F332 HydrophobicContact CG-CE2 3.88Å; Q302-F332 HydrophobicContact CG-CG 4.05Å; Q302-F332 HydrophobicContact CG-CZ 4.31Å; L305-F332 HydrophobicContact CD1-CD1 3.79Å; L305-F332 HydrophobicContact CD1-CE1 4.18Å; L305-F332 HydrophobicContact CD2-CD1 4.23Å; L305-F332 HydrophobicContact CD2-CE1 3.8Å; L305-F332 HydrophobicContact CD2-CZ 4.35Å; T328-F332 WeakPolarHBondContact O-CB 3.46Å; T328-F332 PolarHBondContact O-N 3.47Å; T329-F332 WeakPolarHBondContact O-CB 3.08Å; T329-F332 PolarHBondContact O-N 3.07Å; F332-T334 VanDerWaalsContact C-N 3.26Å; F332-T334 PolarHBondContact O-N 3.04Å; F332-T335 PolarHBondContact O-N 2.58Å; F332-F336 HydrophobicContact CZ-CB 4.41Å; F332-F336 HydrophobicContact CZ-CD2 4.39Å; F332-F336 HydrophobicContact CZ-CG 4.41Å; F332-F336 WeakPolarHBondContact O-CB 3.34Å; F332-F336 PolarHBondContact O-N 2.91Å
333	L	98.8	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-34.9	-179.7	-66	172.2	0	0	0	112.2	T291 W298 T329 Y330 F336 F337 Y387 V391 I394	T291-L333 HydrophobicContact CG2-CD2 4.5Å; W298-L333 HydrophobicContact CZ3-CD2 4.43Å; T329-L333 HydrophobicContact CG2-CD1 3.89Å; T329-L333 VanDerWaalsContact O-CG 3.32Å; T329-L333 WeakPolarHBondContact O-CG 3.05Å; T329-L333 PolarHBondContact O-N 3.29Å; Y330-L333 PolarHBondContact O-N 2.93Å; L333-F336 PolarHBondContact O-N 3.32Å; L333-F337 HydrophobicContact CB-CD2 4.22Å; L333-F337 HydrophobicContact CB-CE2 4.39Å; L333-F337 HydrophobicContact CD2-CE2 4.03Å; L333-F337 WeakPolarHBondContact O-CB 3.11Å; L333-F337 VanDerWaalsContact O-CD2 3.28Å; L333-F337 WeakPolarHBondContact O-CD2 3.26Å; L333-F337 PolarHBondContact O-N 3.15Å; L333-Y387 HydrophobicContact CD1-CE2 3.75Å; L333-Y387 VanDerWaalsContact CD1-OH 3.25Å; L333-Y387 WeakPolarHBondContact CD1-OH 3.47Å; L333-V391 HydrophobicContact CD1-CG2 4.01Å; L333-I394 HydrophobicContact CB-CD1 4.34Å
334	T	98.8	Very high	98.6	Very high	66 Å²	66	39.9 Å²	39.9	41%	0.405	22%	0.22	S	C	.	.	H	α-helix	trans	-61.1	-49.6	175.4	-60.6	0	0	0	0	111.2	Y330 S331 F332 K338 I394	Y330-T334 WeakPolarHBondContact O-CB 3.3Å; Y330-T334 PolarHBondContact O-N 3.42Å; Y330-T334 PolarHBondContact O-OG1 3.08Å; S331-T334 PolarHBondContact O-N 3.42Å; F332-T334 VanDerWaalsContact C-N 3.26Å; F332-T334 PolarHBondContact O-N 3.04Å; T334-K338 VanDerWaalsContact O-CB 3.3Å; T334-K338 WeakPolarHBondContact O-CB 3.35Å; T334-K338 PolarHBondContact O-N 2.91Å; T334-K338 VanDerWaalsContact O-N 3.13Å; T334-I394 WeakPolarHBondContact OG1-CD1 3.4Å
335	T	98.7	Very high	98.6	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-41.1	178.6	-58.2	0	0	0	0	111.5	T250 F251 S331 F332 K338 E339	T250-T335 HydrophobicContact CG2-CG2 4.19Å; F251-T335 HydrophobicContact CE2-CG2 3.7Å; F251-T335 HydrophobicContact CZ-CG2 3.79Å; S331-T335 PolarHBondContact O-N 2.95Å; S331-T335 PolarHBondContact O-OG1 2.99Å; F332-T335 PolarHBondContact O-N 2.58Å; T335-K338 WeakPolarHBondContact O-CB 3.44Å; T335-K338 PolarHBondContact O-N 3.16Å; T335-E339 PolarHBondContact O-N 3.02Å
336	F	98.8	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-53.3	-179.1	-176.8	-100.9	0	0	0	111.5	F244 Y246 F251 L254 F289 W298 F332 L333 K338 E339 I340	F244-F336 AromaticContact CZ-CE2 3.98Å; F244-F336 HydrophobicContact CZ-CE2 3.98Å; F244-F336 AromaticContact CZ-CZ 3.94Å; F244-F336 HydrophobicContact CZ-CZ 3.94Å; Y246-F336 HydrophobicContact CD1-CE2 4.24Å; Y246-F336 HydrophobicContact CD1-CZ 4.21Å; Y246-F336 HydrophobicContact CE1-CE2 4.06Å; Y246-F336 HydrophobicContact CE1-CZ 4.2Å; F251-F336 HydrophobicContact CD2-CB 4.37Å; F251-F336 HydrophobicContact CD2-CD2 4.13Å; F251-F336 HydrophobicContact CE2-CB 4.11Å; L254-F336 HydrophobicContact CD1-CD2 4.09Å; L254-F336 HydrophobicContact CD1-CE2 3.87Å; F289-F336 HydrophobicContact CB-CE1 4.13Å; F289-F336 AromaticContact CD1-CE1 3.6Å; F289-F336 HydrophobicContact CD1-CE1 3.6Å; F289-F336 AromaticContact CD1-CZ 3.5Å; F289-F336 HydrophobicContact CD1-CZ 3.5Å; F289-F336 VanDerWaalsContact CD1-CZ 3.5Å; F289-F336 HydrophobicContact CD2-CE1 4.44Å; F289-F336 HydrophobicContact CE1-CE1 4.08Å; F289-F336 AromaticContact CE1-CZ 3.56Å; F289-F336 HydrophobicContact CE1-CZ 3.56Å; F289-F336 AromaticContact CG-CE1 3.81Å; F289-F336 HydrophobicContact CG-CE1 3.81Å; F289-F336 HydrophobicContact CG-CZ 4.15Å; F289-F336 HydrophobicContact CZ-CZ 4.25Å; W298-F336 HydrophobicContact CH2-CD1 4.28Å; W298-F336 AromaticContact CH2-CE1 3.72Å; W298-F336 HydrophobicContact CH2-CE1 3.72Å; W298-F336 HydrophobicContact CH2-CZ 4.2Å; W298-F336 HydrophobicContact CZ3-CD1 4.15Å; W298-F336 AromaticContact CZ3-CE1 3.92Å; W298-F336 HydrophobicContact CZ3-CE1 3.92Å; W298-F336 HydrophobicContact CZ3-CZ 4.27Å; F332-F336 HydrophobicContact CZ-CB 4.41Å; F332-F336 HydrophobicContact CZ-CD2 4.39Å; F332-F336 HydrophobicContact CZ-CG 4.41Å; F332-F336 WeakPolarHBondContact O-CB 3.34Å; F332-F336 PolarHBondContact O-N 2.91Å; L333-F336 PolarHBondContact O-N 3.32Å; F336-K338 PolarHBondContact O-N 3.37Å; F336-E339 WeakPolarHBondContact O-CB 3.23Å; F336-E339 PolarHBondContact O-N 3.5Å; F336-I340 HydrophobicContact CD1-CG1 4.06Å; F336-I340 HydrophobicContact CE1-CD1 4.02Å; F336-I340 HydrophobicContact CE1-CG1 3.75Å; F336-I340 HydrophobicContact CE2-CD1 4.34Å; F336-I340 HydrophobicContact CZ-CD1 3.87Å; F336-I340 HydrophobicContact CZ-CG1 4.15Å; F336-I340 WeakPolarHBondContact O-CG1 3.44Å; F336-I340 PolarHBondContact O-N 3.21Å
337	F	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-23.9	179.5	-75.9	-63	0	0	0	113.3	F289 L333 I340 S341 I349 L351 V391 I394 I395 I398	F289-F337 HydrophobicContact CB-CE1 4.03Å; F289-F337 HydrophobicContact CB-CZ 4.34Å; L333-F337 HydrophobicContact CB-CD2 4.22Å; L333-F337 HydrophobicContact CB-CE2 4.39Å; L333-F337 HydrophobicContact CD2-CE2 4.03Å; L333-F337 WeakPolarHBondContact O-CB 3.11Å; L333-F337 VanDerWaalsContact O-CD2 3.28Å; L333-F337 WeakPolarHBondContact O-CD2 3.26Å; L333-F337 PolarHBondContact O-N 3.15Å; F337-I340 HydrophobicContact CD1-CB 4.36Å; F337-I340 HydrophobicContact CD1-CG1 4.27Å; F337-I340 PolarHBondContact O-N 2.97Å; F337-S341 WeakPolarHBondContact O-CB 3.46Å; F337-S341 PolarHBondContact O-N 2.85Å; F337-I349 HydrophobicContact CD1-CG2 4.36Å; F337-I349 HydrophobicContact CE1-CG2 4.13Å; F337-L351 HydrophobicContact CE1-CD2 3.89Å; F337-L351 HydrophobicContact CZ-CD2 3.91Å; F337-V391 HydrophobicContact CD2-CG1 4.25Å; F337-V391 HydrophobicContact CE2-CG1 3.68Å; F337-V391 HydrophobicContact CZ-CG1 4.29Å; F337-I394 HydrophobicContact CB-CG2 4.27Å; F337-I395 HydrophobicContact CB-CD1 3.69Å; F337-I395 HydrophobicContact CD1-CD1 3.67Å; F337-I395 HydrophobicContact CD2-CD1 4.1Å; F337-I395 HydrophobicContact CE1-CD1 4.3Å; F337-I395 HydrophobicContact CG-CD1 3.56Å; F337-I398 HydrophobicContact CB-CD1 4.16Å; F337-I398 VanDerWaalsContact O-CD1 3.27Å; F337-I398 WeakPolarHBondContact O-CD1 3.46Å
338	K	98.8	Very high	98.7	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-46.5	168.3	-178	56.7	170.9	127.4	0	111.2	T334 T335 F336 S341 E342 I398	T334-K338 VanDerWaalsContact O-CB 3.3Å; T334-K338 WeakPolarHBondContact O-CB 3.35Å; T334-K338 PolarHBondContact O-N 2.91Å; T334-K338 VanDerWaalsContact O-N 3.13Å; T335-K338 WeakPolarHBondContact O-CB 3.44Å; T335-K338 PolarHBondContact O-N 3.16Å; F336-K338 PolarHBondContact O-N 3.37Å; K338-S341 PolarHBondContact O-N 3.36Å; K338-S341 PolarHBondContact O-OG 2.97Å; K338-E342 WeakPolarHBondContact CE-OE1 3.04Å; K338-E342 IonicContact NZ-OE1 2.76Å; K338-E342 PolarHBondContact NZ-OE1 3.23Å; K338-E342 WeakPolarHBondContact O-CG 3.24Å; K338-E342 PolarHBondContact O-N 3.35Å; K338-I398 HydrophobicContact CD-CG2 3.93Å
339	E	98.8	Very high	98.7	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-48	172.8	176.5	178.4	110.7	0	0	111.5	Y246 S248 I249 T250 T335 F336 S341 E342 V343	Y246-E339 PolarHBondContact OH-OE1 2.86Å; S248-E339 WeakPolarHBondContact CA-OE1 3.42Å; S248-E339 WeakPolarHBondContact CB-OE1 3.35Å; S248-E339 VanDerWaalsContact OG-CD 3.32Å; S248-E339 PolarHBondContact OG-OE1 2.93Å; S248-E339 PolarHBondContact OG-OE2 2.86Å; I249-E339 PolarHBondContact N-OE1 3.46Å; I249-E339 VanDerWaalsContact N-OE1 3.13Å; I249-E339 PolarHBondContact N-OE2 3.37Å; I249-E339 VanDerWaalsContact N-OE2 3.11Å; T250-E339 VanDerWaalsContact CB-OE2 3.28Å; T250-E339 WeakPolarHBondContact CB-OE2 3.17Å; T250-E339 VanDerWaalsContact CG2-OE2 3.24Å; T250-E339 WeakPolarHBondContact CG2-OE2 3.29Å; T250-E339 PolarHBondContact N-OE2 2.96Å; T250-E339 PolarHBondContact OG1-OE2 3.47Å; T335-E339 PolarHBondContact O-N 3.02Å; F336-E339 WeakPolarHBondContact O-CB 3.23Å; F336-E339 PolarHBondContact O-N 3.5Å; E339-S341 PolarHBondContact O-N 3.13Å; E339-E342 PolarHBondContact O-N 3Å; E339-V343 HydrophobicContact CG-CG2 4.03Å; E339-V343 WeakPolarHBondContact O-CG2 3.26Å; E339-V343 PolarHBondContact O-N 2.8Å
340	I	98.8	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.6	-41.1	179	-57.9	-43.9	0	0	0	111.3	Y246 P287 F289 F336 F337 E342 V343 F344 I349	Y246-I340 HydrophobicContact CD1-CD1 4.45Å; Y246-I340 HydrophobicContact CE1-CD1 3.56Å; Y246-I340 WeakPolarHBondContact OH-CD1 3.41Å; P287-I340 HydrophobicContact CB-CG2 4.48Å; P287-I340 HydrophobicContact CG-CG2 4.11Å; F289-I340 HydrophobicContact CD2-CD1 4.11Å; F289-I340 HydrophobicContact CD2-CG1 3.98Å; F289-I340 HydrophobicContact CD2-CG2 3.99Å; F289-I340 HydrophobicContact CE1-CD1 4.19Å; F289-I340 HydrophobicContact CE2-CB 4.46Å; F289-I340 HydrophobicContact CE2-CD1 3.43Å; F289-I340 VanDerWaalsContact CE2-CD1 3.43Å; F289-I340 HydrophobicContact CE2-CG1 3.78Å; F289-I340 HydrophobicContact CE2-CG2 3.79Å; F289-I340 HydrophobicContact CZ-CD1 3.47Å; F289-I340 VanDerWaalsContact CZ-CD1 3.47Å; F289-I340 HydrophobicContact CZ-CG1 4.26Å; F336-I340 HydrophobicContact CD1-CG1 4.06Å; F336-I340 HydrophobicContact CE1-CD1 4.02Å; F336-I340 HydrophobicContact CE1-CG1 3.75Å; F336-I340 HydrophobicContact CE2-CD1 4.34Å; F336-I340 HydrophobicContact CZ-CD1 3.87Å; F336-I340 HydrophobicContact CZ-CG1 4.15Å; F336-I340 WeakPolarHBondContact O-CG1 3.44Å; F336-I340 PolarHBondContact O-N 3.21Å; F337-I340 HydrophobicContact CD1-CB 4.36Å; F337-I340 HydrophobicContact CD1-CG1 4.27Å; F337-I340 PolarHBondContact O-N 2.97Å; I340-E342 PolarHBondContact O-N 2.93Å; I340-V343 PolarHBondContact O-N 2.94Å; I340-F344 HydrophobicContact CG2-CD2 3.83Å; I340-F344 HydrophobicContact CG2-CE2 4.42Å; I340-F344 PolarHBondContact O-N 3.22Å; I340-I349 HydrophobicContact CG2-CD1 3.93Å; I340-I349 HydrophobicContact CG2-CG1 4.34Å; I340-I349 HydrophobicContact CG2-CG2 4.47Å
341	S	98.5	Very high	98.7	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-25.9	178.6	76	0	0	0	0	114.4	F337 K338 E339 K400	F337-S341 WeakPolarHBondContact O-CB 3.46Å; F337-S341 PolarHBondContact O-N 2.85Å; K338-S341 PolarHBondContact O-N 3.36Å; K338-S341 PolarHBondContact O-OG 2.97Å; E339-S341 PolarHBondContact O-N 3.13Å; S341-K400 WeakPolarHBondContact O-CE 3.38Å; S341-K400 PolarHBondContact O-NZ 3.22Å
342	E	98.5	Very high	98.7	Very high	133 Å²	133	29 Å²	29	62%	0.621	15%	0.151	S	C	*	.	H	α-helix	trans	-88.2	-33.3	178.1	-68.7	173	-175.4	0	0	111.8	K338 E339 I340	K338-E342 WeakPolarHBondContact CE-OE1 3.04Å; K338-E342 IonicContact NZ-OE1 2.76Å; K338-E342 PolarHBondContact NZ-OE1 3.23Å; K338-E342 WeakPolarHBondContact O-CG 3.24Å; K338-E342 PolarHBondContact O-N 3.35Å; E339-E342 PolarHBondContact O-N 3Å; I340-E342 PolarHBondContact O-N 2.93Å
343	V	98.7	Very high	98.7	Very high	41 Å²	41	28.7 Å²	28.7	25%	0.248	15%	0.151	C	C	.	.	H	α-helix	trans	-77.3	-44.6	179.7	173.7	0	0	0	0	111.6	V271 I275 E339 I340	V271-V343 HydrophobicContact CG1-CG1 3.65Å; I275-V343 WeakPolarHBondContact CD1-O 3.45Å; E339-V343 HydrophobicContact CG-CG2 4.03Å; E339-V343 WeakPolarHBondContact O-CG2 3.26Å; E339-V343 PolarHBondContact O-N 2.8Å; I340-V343 PolarHBondContact O-N 2.94Å
344	F	98.8	Very high	98.6	Very high	2 Å²	2	29 Å²	29	1%	0.009	15%	0.152	C	C	.	.			trans	-102.1	114.1	-176.1	-66.9	-90.9	0	0	0	110.7	W236 Y246 V271 I275 V285 P287 F289 I340 D346 K400	W236-F344 HydrophobicContact CE3-CE1 4.38Å; Y246-F344 HydrophobicContact CE2-CE2 4.14Å; V271-F344 HydrophobicContact CG1-CE1 3.8Å; V271-F344 HydrophobicContact CG1-CE2 4.19Å; V271-F344 HydrophobicContact CG1-CZ 3.57Å; I275-F344 HydrophobicContact CD1-CD1 3.79Å; I275-F344 HydrophobicContact CD1-CE1 4.09Å; I275-F344 HydrophobicContact CD1-CG 4.38Å; I275-F344 HydrophobicContact CG1-CD1 4.32Å; V285-F344 HydrophobicContact CG1-CD1 4.06Å; V285-F344 HydrophobicContact CG1-CE1 3.99Å; P287-F344 HydrophobicContact CB-CD1 3.81Å; P287-F344 HydrophobicContact CB-CD2 3.93Å; P287-F344 HydrophobicContact CB-CE1 3.9Å; P287-F344 HydrophobicContact CB-CE2 4.01Å; P287-F344 HydrophobicContact CB-CG 3.83Å; P287-F344 HydrophobicContact CB-CZ 3.99Å; P287-F344 HydrophobicContact CG-CB 3.74Å; P287-F344 HydrophobicContact CG-CD1 3.89Å; P287-F344 HydrophobicContact CG-CD2 3.95Å; P287-F344 HydrophobicContact CG-CE1 4.48Å; P287-F344 HydrophobicContact CG-CG 3.59Å; F289-F344 HydrophobicContact CE2-CE2 4.08Å; F289-F344 HydrophobicContact CZ-CE2 4.36Å; I340-F344 HydrophobicContact CG2-CD2 3.83Å; I340-F344 HydrophobicContact CG2-CE2 4.42Å; I340-F344 PolarHBondContact O-N 3.22Å; F344-D346 VanDerWaalsContact C-N 3.32Å; F344-D346 PolarHBondContact O-N 3.45Å; F344-K400 PolarHBondContact O-NZ 2.91Å
345	P	98.6	Very high	98.4	Very high	50 Å²	50	31.1 Å²	31.1	33%	0.325	16%	0.157	S	C	.	.			trans	-76.3	-16.7	-173.7	29	-34.3	0	0	0	113.6	F140 I275 K400	F140-P345 HydrophobicContact CD1-CB 4.19Å; F140-P345 HydrophobicContact CD1-CG 3.53Å; F140-P345 HydrophobicContact CD2-CB 3.65Å; F140-P345 HydrophobicContact CD2-CG 3.87Å; F140-P345 HydrophobicContact CE1-CB 4.35Å; F140-P345 HydrophobicContact CE1-CG 3.49Å; F140-P345 VanDerWaalsContact CE1-CG 3.49Å; F140-P345 HydrophobicContact CE2-CB 3.82Å; F140-P345 HydrophobicContact CE2-CG 3.83Å; F140-P345 HydrophobicContact CG-CB 3.85Å; F140-P345 HydrophobicContact CG-CG 3.73Å; F140-P345 HydrophobicContact CZ-CB 4.18Å; F140-P345 HydrophobicContact CZ-CG 3.65Å; I275-P345 HydrophobicContact CG2-CG 3.8Å; P345-K400 PolarHBondContact O-NZ 2.96Å
346	D	98.8	Very high	98.4	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.043	14%	0.144	C	C	.	.	S	Bend	trans	-57	146.5	-179.7	-165.4	-99.8	0	0	0	111.7	R284 V285 F344 F348 K400	R284-D346 WeakPolarHBondContact CB-OD2 3.32Å; R284-D346 WeakPolarHBondContact CG-OD2 3.47Å; R284-D346 IonicContact CZ-OD1 2.69Å; R284-D346 IonicContact CZ-OD2 2.88Å; R284-D346 IonicContact NE-OD1 3.75Å; R284-D346 IonicContact NE-OD2 3.85Å; R284-D346 PolarHBondContact NE-OD2 3.28Å; R284-D346 IonicContact NH2-OD1 3.95Å; R284-D346 PolarHBondContact NH2-OD1 3.37Å; R284-D346 IonicContact NH2-OD2 3.86Å; R284-D346 PolarHBondContact NH2-OD2 3.06Å; V285-D346 WeakPolarHBondContact O-CB 3.44Å; F344-D346 VanDerWaalsContact C-N 3.32Å; F344-D346 PolarHBondContact O-N 3.45Å; D346-F348 PolarHBondContact O-N 3.24Å; D346-F348 PolarHBondContact OD1-N 3.42Å; D346-K400 WeakPolarHBondContact O-CD 3.44Å; D346-K400 PolarHBondContact O-NZ 2.76Å
347	Q	98.4	Very high	98.3	Very high	91 Å²	91	35.1 Å²	35.1	43%	0.425	17%	0.173	S	C	.	.	S	Bend	trans	-64.7	-24.1	-177.8	-70.1	175.4	-9.7	0	0	112.6	K400 G401	Q347-K400 WeakPolarHBondContact O-CA 3.36Å; Q347-G401 PolarHBondContact O-N 2.88Å
348	F	98.8	Very high	98.2	Very high	26 Å²	26	37.4 Å²	37.4	11%	0.114	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.1	-173.9	-64.3	-90.2	0	0	0	112.3	I143 L286 D346 G401 I403 I420	I143-F348 HydrophobicContact CB-CE2 4.44Å; I143-F348 HydrophobicContact CG2-CE2 4.13Å; L286-F348 HydrophobicContact CD1-CB 3.82Å; L286-F348 WeakPolarHBondContact CD1-O 3.19Å; D346-F348 PolarHBondContact O-N 3.24Å; D346-F348 PolarHBondContact OD1-N 3.42Å; F348-G401 WeakPolarHBondContact CA-O 3.27Å; F348-I403 HydrophobicContact CB-CD1 4.08Å; F348-I403 HydrophobicContact CB-CG1 3.98Å; F348-I403 HydrophobicContact CD1-CD1 4.42Å; F348-I403 HydrophobicContact CD1-CG1 3.99Å; F348-I403 HydrophobicContact CG-CD1 4.32Å; F348-I403 HydrophobicContact CG-CG1 4.25Å; F348-I420 HydrophobicContact CD1-CD1 3.72Å; F348-I420 HydrophobicContact CD1-CG1 4.36Å; F348-I420 HydrophobicContact CE1-CD1 3.33Å; F348-I420 HydrophobicContact CE1-CG1 3.89Å; F348-I420 HydrophobicContact CE2-CD1 4.35Å; F348-I420 HydrophobicContact CG-CD1 4.38Å; F348-I420 HydrophobicContact CZ-CD1 3.69Å
349	I	98.9	Very high	98.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129	167.2	-62.2	172.4	0	0	0	106.5	P287 F337 I340 L351 I395 K400 G401 S402 I403	P287-I349 HydrophobicContact CG-CG1 4.32Å; F337-I349 HydrophobicContact CD1-CG2 4.36Å; F337-I349 HydrophobicContact CE1-CG2 4.13Å; I340-I349 HydrophobicContact CG2-CD1 3.93Å; I340-I349 HydrophobicContact CG2-CG1 4.34Å; I340-I349 HydrophobicContact CG2-CG2 4.47Å; I349-L351 HydrophobicContact CB-CD2 4.49Å; I349-L351 HydrophobicContact CG2-CD2 3.85Å; I349-I395 HydrophobicContact CD1-CD1 4.21Å; I349-K400 HydrophobicContact CD1-CB 4.27Å; I349-K400 HydrophobicContact CD1-CG 4.11Å; I349-G401 PolarHBondContact N-O 3.31Å; I349-S402 WeakPolarHBondContact O-CA 3.45Å; I349-I403 PolarHBondContact O-N 3.31Å
350	H	98.9	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.8	171.5	-158.5	-72.2	0	0	0	108.3	H235 L286 P287 E288 F289 G352 I403 W405 E422	H235-H350 AromaticContact CE1-CD2 3.35Å; H235-H350 PolarHBondContact CE1-CD2 3.29Å; H235-H350 AromaticContact CE1-CG 3.68Å; H235-H350 AromaticContact CE1-NE2 3.8Å; H235-H350 AromaticContact NE2-CD2 3.54Å; H235-H350 AromaticContact NE2-CG 3.4Å; H235-H350 AromaticContact NE2-ND1 3.97Å; L286-H350 HydrophobicContact CD1-CB 4.34Å; L286-H350 HydrophobicContact CG-CB 4.35Å; P287-H350 PolarHBondContact O-N 3.25Å; E288-H350 WeakPolarHBondContact CA-O 3.42Å; E288-H350 HydrophobicContact CB-CB 3.74Å; E288-H350 VanDerWaalsContact CD-ND1 3.28Å; E288-H350 HydrophobicContact CG-CB 3.95Å; E288-H350 IonicContact OE1-CE1 3.09Å; E288-H350 PolarHBondContact OE1-CE1 2.84Å; E288-H350 IonicContact OE1-CG 3.47Å; E288-H350 IonicContact OE1-ND1 2.74Å; E288-H350 PolarHBondContact OE1-ND1 3.02Å; F289-H350 PolarHBondContact N-O 2.85Å; H350-G352 WeakPolarHBondContact ND1-CA 3.37Å; H350-G352 PolarHBondContact ND1-N 2.97Å; H350-G352 VanDerWaalsContact ND1-N 3.1Å; H350-I403 WeakPolarHBondContact CA-O 3.14Å; H350-I403 HydrophobicContact CB-CB 4.38Å; H350-I403 VanDerWaalsContact CD2-CB 3.45Å; H350-I403 WeakPolarHBondContact CD2-CB 3.46Å; H350-I403 WeakPolarHBondContact CD2-CG2 3.21Å; H350-I403 WeakPolarHBondContact NE2-CG2 3.18Å; H350-W405 AromaticContact CE1-CD1 3.64Å; H350-W405 AromaticContact CE1-CD2 3.69Å; H350-W405 AromaticContact CE1-CE2 3.44Å; H350-W405 VanDerWaalsContact CE1-CE2 3.44Å; H350-W405 AromaticContact CE1-CG 3.78Å; H350-W405 AromaticContact CE1-CZ2 4Å; H350-W405 AromaticContact CE1-NE1 3.38Å; H350-W405 PolarHBondContact CE1-NE1 2.77Å; H350-W405 AromaticContact ND1-NE1 3.93Å; H350-W405 AromaticContact NE2-CE2 4Å; H350-E422 IonicContact CD2-OE2 3.12Å; H350-E422 IonicContact NE2-OE2 3.66Å
351	L	98.8	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.			trans	-96	-0.8	-177.2	-55.7	179.2	0	0	0	112.8	T291 F337 I349 G353 I388 V391 L392 I395 I403 V404	T291-L351 PolarHBondContact N-O 3.39Å; F337-L351 HydrophobicContact CE1-CD2 3.89Å; F337-L351 HydrophobicContact CZ-CD2 3.91Å; I349-L351 HydrophobicContact CB-CD2 4.49Å; I349-L351 HydrophobicContact CG2-CD2 3.85Å; L351-G353 PolarHBondContact O-N 3.27Å; L351-I388 HydrophobicContact CB-CD1 4.43Å; L351-V391 HydrophobicContact CD1-CG1 4.05Å; L351-V391 HydrophobicContact CD2-CG1 4.21Å; L351-L392 HydrophobicContact CD1-CD2 3.72Å; L351-L392 HydrophobicContact CD1-CG 4.2Å; L351-I395 HydrophobicContact CD1-CG1 3.96Å; L351-I395 HydrophobicContact CD2-CD1 3.85Å; L351-I395 HydrophobicContact CD2-CG1 3.71Å; L351-I395 HydrophobicContact CG-CG1 4.4Å; L351-I403 PolarHBondContact N-O 2.93Å; L351-V404 HydrophobicContact CB-CG1 4.37Å
352	G	98.4	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.			trans	61.6	-121.5	-173.6	0	0	0	0	0	111.2	E288 D290 H350 W405	E288-G352 WeakPolarHBondContact OE1-CA 3.29Å; D290-G352 VanDerWaalsContact OD1-CA 3.29Å; D290-G352 WeakPolarHBondContact OD1-CA 3.28Å; H350-G352 WeakPolarHBondContact ND1-CA 3.37Å; H350-G352 PolarHBondContact ND1-N 2.97Å; H350-G352 VanDerWaalsContact ND1-N 3.1Å; G352-W405 PolarHBondContact O-N 3.47Å
353	G	97.7	Very high	98	Very high	1 Å²	1	40 Å²	40	1%	0.01	20%	0.197	C	C	.	.			trans	93.9	22.2	178.6	0	0	0	0	0	113.8	D290 T291 L351 E407	D290-G353 PolarHBondContact OD1-N 3.12Å; T291-G353 WeakPolarHBondContact O-CA 3.23Å; L351-G353 PolarHBondContact O-N 3.27Å; G353-E407 WeakPolarHBondContact O-CB 3.33Å
354	D	97	Very high	98	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	19%	0.186	C	C	.	.			trans	-88.2	162.5	174.6	63.3	-60.8	0	0	0	112.9	H294 V356 W405	H294-D354 IonicContact CD2-OD1 3.37Å; H294-D354 IonicContact CD2-OD2 3.52Å; H294-D354 PolarHBondContact CD2-OD2 2.83Å; H294-D354 IonicContact NE2-OD1 3.56Å; H294-D354 IonicContact NE2-OD2 3.51Å; H294-D354 PolarHBondContact NE2-OD2 3.19Å; D354-V356 PolarHBondContact O-N 2.94Å; D354-W405 HydrophobicContact CB-CB 3.79Å; D354-W405 HydrophobicContact CB-CG 3.84Å; D354-W405 PolarHBondContact OD1-NE1 3.25Å
355	E	96	Very high	97.9	Very high	109 Å²	109	40.8 Å²	40.8	51%	0.509	20%	0.203	S	C	.	.	S	Bend	trans	47	32.1	165.7	-55.7	-160.7	134.3	0	0	117.7	H294 E357 E407 W424	H294-E355 IonicContact CE1-OE2 3.8Å; H294-E355 IonicContact NE2-OE2 3.62Å; E355-E357 PolarHBondContact O-N 3.19Å; E355-E407 PolarHBondContact N-OE1 3.04Å; E355-W424 HydrophobicContact CG-CH2 4.15Å; E355-W424 HydrophobicContact CG-CZ2 3.85Å; E355-W424 WeakPolarHBondContact OE1-CH2 3.5Å
356	V	97	Very high	97.8	Very high	15 Å²	15	45.4 Å²	45.4	9%	0.091	22%	0.218	C	C	.	.			trans	-66.2	112.5	-177.6	-174.3	0	0	0	0	111.9	P292 P321 D354 F358 W361 E384	P292-V356 HydrophobicContact CG-CG1 4.1Å; P292-V356 HydrophobicContact CG-CG2 3.83Å; P321-V356 HydrophobicContact CB-CG1 4.1Å; P321-V356 HydrophobicContact CG-CG1 3.84Å; D354-V356 PolarHBondContact O-N 2.94Å; V356-F358 HydrophobicContact CB-CD1 4.46Å; V356-F358 HydrophobicContact CB-CE1 3.92Å; V356-F358 HydrophobicContact CG1-CD1 3.94Å; V356-F358 HydrophobicContact CG1-CE1 3.74Å; V356-F358 PolarHBondContact O-N 3.14Å; V356-W361 HydrophobicContact CG1-CH2 3.79Å; V356-W361 HydrophobicContact CG1-CZ2 4.29Å; V356-W361 HydrophobicContact CG1-CZ3 3.99Å; V356-E384 WeakPolarHBondContact CB-OE1 3.43Å; V356-E384 HydrophobicContact CG2-CG 4.47Å; V356-E384 WeakPolarHBondContact CG2-OE1 3.38Å
357	E	97	Very high	97.8	Very high	131 Å²	131	45 Å²	45	61%	0.612	22%	0.216	S	C	*	.			trans	-78.7	108	175.6	-70	-162.1	-176.2	0	0	113.1	E355 K359	E355-E357 PolarHBondContact O-N 3.19Å; E357-K359 VanDerWaalsContact C-N 3.31Å; E357-K359 PolarHBondContact O-N 2.64Å
358	F	97.9	Very high	97.8	Very high	48 Å²	48	43.1 Å²	43.1	21%	0.211	21%	0.207	C	C	.	.	H	α-helix	trans	-73.8	-13	-178.2	-54	-35.8	0	0	0	115.4	V356 C360 W361 E362 F380 K381 E384	V356-F358 HydrophobicContact CB-CD1 4.46Å; V356-F358 HydrophobicContact CB-CE1 3.92Å; V356-F358 HydrophobicContact CG1-CD1 3.94Å; V356-F358 HydrophobicContact CG1-CE1 3.74Å; V356-F358 PolarHBondContact O-N 3.14Å; F358-C360 VanDerWaalsContact C-N 3.28Å; F358-C360 PolarHBondContact O-N 3.05Å; F358-W361 AromaticContact CD1-CE3 3.62Å; F358-W361 HydrophobicContact CD1-CE3 3.62Å; F358-W361 AromaticContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CE1-CE3 4.22Å; F358-W361 AromaticContact CE1-CZ3 3.79Å; F358-W361 HydrophobicContact CE1-CZ3 3.79Å; F358-W361 WeakPolarHBondContact O-CA 3.44Å; F358-W361 WeakPolarHBondContact O-CB 3.46Å; F358-W361 PolarHBondContact O-N 3.14Å; F358-E362 WeakPolarHBondContact O-CB 3.35Å; F358-E362 PolarHBondContact O-N 3.48Å; F358-F380 HydrophobicContact CB-CB 3.73Å; F358-F380 HydrophobicContact CB-CD2 4.36Å; F358-F380 HydrophobicContact CB-CG 3.98Å; F358-F380 HydrophobicContact CD1-CB 3.84Å; F358-F380 HydrophobicContact CD2-CB 3.61Å; F358-F380 HydrophobicContact CE1-CB 4.37Å; F358-F380 HydrophobicContact CE2-CB 4.16Å; F358-F380 HydrophobicContact CG-CB 3.43Å; F358-F380 VanDerWaalsContact CG-CB 3.43Å; F358-F380 HydrophobicContact CG-CG 4.24Å; F358-K381 HydrophobicContact CE2-CG 3.77Å; F358-K381 HydrophobicContact CZ-CG 4.05Å; F358-E384 HydrophobicContact CE1-CB 4.15Å; F358-E384 HydrophobicContact CZ-CB 4.49Å
359	K	97.3	Very high	97.8	Very high	156 Å²	156	45.7 Å²	45.7	68%	0.678	22%	0.222	S	C	*	.	H	α-helix	trans	-55.2	-41.9	-174.5	-72.3	176.1	-176.4	160	0	112.9	E357 E362 S363	E357-K359 VanDerWaalsContact C-N 3.31Å; E357-K359 PolarHBondContact O-N 2.64Å; K359-E362 PolarHBondContact O-N 3.21Å; K359-S363 WeakPolarHBondContact O-CB 3.31Å; K359-S363 PolarHBondContact O-N 2.82Å
360	C	97.8	Very high	97.7	Very high	11 Å²	11	47 Å²	47	7%	0.074	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-40	179.7	-171.3	0	0	0	0	111.5	T307 C309 G320 F358 S363 N364	T307-C360 PolarHBondContact O-SG 3.02Å; T307-C360 VanDerWaalsContact O-SG 3.34Å; C309-C360 WeakPolarHBondContact CA-SG 3.42Å; C309-C360 HydrophobicContact CB-CB 4.1Å; C309-C360 WeakPolarHBondContact CB-SG 3.29Å; C309-C360 PolarHBondContact N-SG 3.2Å; C309-C360 VanDerWaalsContact N-SG 3.43Å; C309-C360 WeakPolarHBondContact SG-CB 3.46Å; C309-C360 CovalentContact SG-SG 2.05Å; C309-C360 PolarHBondContact SG-SG 3.3Å; G320-C360 PolarHBondContact N-SG 2.89Å; G320-C360 VanDerWaalsContact N-SG 3.36Å; F358-C360 VanDerWaalsContact C-N 3.28Å; F358-C360 PolarHBondContact O-N 3.05Å; C360-S363 PolarHBondContact O-N 2.84Å; C360-S363 PolarHBondContact O-OG 2.99Å; C360-N364 PolarHBondContact O-N 3.06Å
361	W	98.3	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-45.3	172.2	-73.5	-9.1	0	0	0	112.2	P292 T307 P321 I322 P324 V356 F358 S363 N364 I367 F380 L383 E384	P292-W361 HydrophobicContact CB-CZ2 4.16Å; P292-W361 HydrophobicContact CG-CH2 3.91Å; P292-W361 HydrophobicContact CG-CZ2 4.06Å; T307-W361 PolarHBondContact OG1-NE1 3.12Å; P321-W361 HydrophobicContact CB-CZ2 3.84Å; I322-W361 WeakPolarHBondContact O-CZ2 3.48Å; I322-W361 PolarHBondContact O-NE1 3Å; P324-W361 HydrophobicContact CG-CH2 4.42Å; P324-W361 HydrophobicContact CG-CZ2 3.93Å; V356-W361 HydrophobicContact CG1-CH2 3.79Å; V356-W361 HydrophobicContact CG1-CZ2 4.29Å; V356-W361 HydrophobicContact CG1-CZ3 3.99Å; F358-W361 AromaticContact CD1-CE3 3.62Å; F358-W361 HydrophobicContact CD1-CE3 3.62Å; F358-W361 AromaticContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CD1-CZ3 3.68Å; F358-W361 HydrophobicContact CE1-CE3 4.22Å; F358-W361 AromaticContact CE1-CZ3 3.79Å; F358-W361 HydrophobicContact CE1-CZ3 3.79Å; F358-W361 WeakPolarHBondContact O-CA 3.44Å; F358-W361 WeakPolarHBondContact O-CB 3.46Å; F358-W361 PolarHBondContact O-N 3.14Å; W361-S363 VanDerWaalsContact C-N 3.28Å; W361-S363 PolarHBondContact O-N 2.69Å; W361-N364 PolarHBondContact O-N 3.05Å; W361-N364 VanDerWaalsContact O-N 3.14Å; W361-I367 HydrophobicContact CB-CD1 4.17Å; W361-I367 HydrophobicContact CB-CG2 4.19Å; W361-I367 VanDerWaalsContact CD1-CD1 3.42Å; W361-I367 HydrophobicContact CG-CD1 3.92Å; W361-F380 HydrophobicContact CB-CD1 3.87Å; W361-F380 HydrophobicContact CB-CE1 3.91Å; W361-F380 HydrophobicContact CE3-CD1 4.22Å; W361-L383 HydrophobicContact CD2-CD2 4.02Å; W361-L383 HydrophobicContact CE3-CD2 3.85Å; W361-L383 HydrophobicContact CE3-CG 4.4Å; W361-L383 HydrophobicContact CG-CD2 4.41Å; W361-L383 HydrophobicContact CZ3-CB 4.45Å; W361-L383 HydrophobicContact CZ3-CD2 4.32Å; W361-L383 HydrophobicContact CZ3-CG 4.38Å; W361-E384 HydrophobicContact CH2-CB 4.17Å; W361-E384 HydrophobicContact CZ3-CB 3.98Å
362	E	97.7	Very high	97.7	Very high	107 Å²	107	54.8 Å²	54.8	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-39.1	177.3	-174.5	179.2	-160.5	0	0	111.8	F358 K359 N364 Q368 F380	F358-E362 WeakPolarHBondContact O-CB 3.35Å; F358-E362 PolarHBondContact O-N 3.48Å; K359-E362 PolarHBondContact O-N 3.21Å; E362-N364 VanDerWaalsContact C-N 3.27Å; E362-N364 PolarHBondContact O-N 3.11Å; E362-Q368 PolarHBondContact O-NE2 3.39Å; E362-F380 HydrophobicContact CB-CD2 4.46Å; E362-F380 HydrophobicContact CB-CE1 4.45Å; E362-F380 HydrophobicContact CB-CE2 3.7Å; E362-F380 HydrophobicContact CB-CZ 3.72Å; E362-F380 HydrophobicContact CG-CE2 3.83Å; E362-F380 HydrophobicContact CG-CZ 4.05Å
363	S	97.6	Very high	97.7	Very high	35 Å²	35	62.2 Å²	62.2	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-25.2	178.2	76.7	0	0	0	0	113.8	Y310 K359 C360 W361 P365	Y310-S363 WeakPolarHBondContact CB-O 3.09Å; Y310-S363 PolarHBondContact N-OG 3.19Å; Y310-S363 WeakPolarHBondContact O-CB 3.23Å; K359-S363 WeakPolarHBondContact O-CB 3.31Å; K359-S363 PolarHBondContact O-N 2.82Å; C360-S363 PolarHBondContact O-N 2.84Å; C360-S363 PolarHBondContact O-OG 2.99Å; W361-S363 VanDerWaalsContact C-N 3.28Å; W361-S363 PolarHBondContact O-N 2.69Å; S363-P365 WeakPolarHBondContact O-CD 3.42Å
364	N	98.1	Very high	97.7	Very high	4 Å²	4	67 Å²	67	2%	0.021	31%	0.312	C	S	.	.			trans	-84.1	118.6	-166.9	-173.5	-56.3	0	0	0	112.5	T307 P308 Y310 C360 W361 E362 K366 I367 Q368	T307-N364 HydrophobicContact CG2-CB 3.9Å; T307-N364 WeakPolarHBondContact CG2-ND2 2.89Å; P308-N364 PolarHBondContact O-ND2 2.9Å; Y310-N364 HydrophobicContact CD2-CB 4.16Å; Y310-N364 HydrophobicContact CE2-CB 4.37Å; Y310-N364 WeakPolarHBondContact CE2-ND2 3.22Å; C360-N364 PolarHBondContact O-N 3.06Å; W361-N364 PolarHBondContact O-N 3.05Å; W361-N364 VanDerWaalsContact O-N 3.14Å; E362-N364 VanDerWaalsContact C-N 3.27Å; E362-N364 PolarHBondContact O-N 3.11Å; N364-K366 VanDerWaalsContact C-N 3.35Å; N364-K366 PolarHBondContact O-N 3.3Å; N364-K366 WeakPolarHBondContact OD1-CB 3.22Å; N364-K366 PolarHBondContact OD1-N 3.13Å; N364-I367 HydrophobicContact CB-CB 4.12Å; N364-I367 HydrophobicContact CB-CD1 4.17Å; N364-I367 HydrophobicContact CB-CG1 4.1Å; N364-I367 PolarHBondContact O-N 3.03Å; N364-I367 VanDerWaalsContact O-N 3.15Å; N364-I367 PolarHBondContact OD1-N 2.96Å; N364-Q368 WeakPolarHBondContact O-CG 3.35Å; N364-Q368 PolarHBondContact O-N 2.87Å
365	P	97	Very high	97.7	Very high	57 Å²	57	69.5 Å²	69.5	37%	0.37	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-37.4	-176.5	-25.2	34.7	0	0	0	114.4	Y310 S363 I367 Q368 D369	Y310-P365 HydrophobicContact CD1-CG 4.39Å; Y310-P365 HydrophobicContact CE1-CG 4.45Å; S363-P365 WeakPolarHBondContact O-CD 3.42Å; P365-I367 VanDerWaalsContact C-N 3.33Å; P365-I367 PolarHBondContact O-N 3.24Å; P365-Q368 WeakPolarHBondContact O-CB 3.39Å; P365-Q368 PolarHBondContact O-N 2.03Å; P365-D369 PolarHBondContact O-N 3.34Å
366	K	97.3	Very high	97.8	Very high	147 Å²	147	66 Å²	66	64%	0.639	32%	0.324	S	S	*	.	H	α-helix	trans	-68.9	-35.1	179.5	-66.9	-175.7	177.7	-178.8	0	111.7	N364 D369 F370	N364-K366 VanDerWaalsContact C-N 3.35Å; N364-K366 PolarHBondContact O-N 3.3Å; N364-K366 WeakPolarHBondContact OD1-CB 3.22Å; N364-K366 PolarHBondContact OD1-N 3.13Å; K366-D369 PolarHBondContact O-N 3.09Å; K366-F370 PolarHBondContact O-N 3.11Å; K366-F370 VanDerWaalsContact O-N 3.08Å
367	I	98.3	Very high	97.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-43.9	174.3	-65.3	-174.3	0	0	0	110	T307 T325 W361 N364 P365 D369 F370 M371 F380 L383	T307-I367 HydrophobicContact CG2-CD1 3.45Å; T307-I367 VanDerWaalsContact CG2-CD1 3.45Å; T325-I367 HydrophobicContact CG2-CB 4.4Å; T325-I367 HydrophobicContact CG2-CG1 3.87Å; T325-I367 HydrophobicContact CG2-CG2 4.43Å; W361-I367 HydrophobicContact CB-CD1 4.17Å; W361-I367 HydrophobicContact CB-CG2 4.19Å; W361-I367 VanDerWaalsContact CD1-CD1 3.42Å; W361-I367 HydrophobicContact CG-CD1 3.92Å; N364-I367 HydrophobicContact CB-CB 4.12Å; N364-I367 HydrophobicContact CB-CD1 4.17Å; N364-I367 HydrophobicContact CB-CG1 4.1Å; N364-I367 PolarHBondContact O-N 3.03Å; N364-I367 VanDerWaalsContact O-N 3.15Å; N364-I367 PolarHBondContact OD1-N 2.96Å; P365-I367 VanDerWaalsContact C-N 3.33Å; P365-I367 PolarHBondContact O-N 3.24Å; I367-D369 PolarHBondContact O-N 3.24Å; I367-F370 CarbonylContact O-C 3.58Å; I367-F370 WeakPolarHBondContact O-CA 3.48Å; I367-F370 WeakPolarHBondContact O-CB 2.86Å; I367-F370 PolarHBondContact O-N 3.49Å; I367-M371 HydrophobicContact CG2-CG 4.18Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.46Å; I367-M371 PolarHBondContact O-N 2.83Å; I367-F380 HydrophobicContact CG2-CE1 4.2Å; I367-L383 HydrophobicContact CG2-CD2 3.55Å
368	Q	97.8	Very high	97.8	Very high	50 Å²	50	67 Å²	67	23%	0.234	35%	0.348	C	S	.	.	H	α-helix	trans	-56	-39.2	173.3	-70.2	-70.8	-7.4	0	0	112.2	E362 N364 P365 M371 R372	E362-Q368 PolarHBondContact O-NE2 3.39Å; N364-Q368 WeakPolarHBondContact O-CG 3.35Å; N364-Q368 PolarHBondContact O-N 2.87Å; P365-Q368 WeakPolarHBondContact O-CB 3.39Å; P365-Q368 PolarHBondContact O-N 2.03Å; Q368-M371 PolarHBondContact O-N 3.18Å; Q368-R372 WeakPolarHBondContact O-CG 3.39Å; Q368-R372 PolarHBondContact O-N 3.5Å; Q368-R372 VanDerWaalsContact O-N 3.09Å; Q368-R372 PolarHBondContact O-NH1 3.47Å
369	D	98	Very high	97.8	Very high	80 Å²	80	67.5 Å²	67.5	43%	0.428	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-43.7	174.6	-65.5	-7.8	0	0	0	111.8	P365 K366 I367 R372 Q373	P365-D369 PolarHBondContact O-N 3.34Å; K366-D369 PolarHBondContact O-N 3.09Å; I367-D369 PolarHBondContact O-N 3.24Å; D369-R372 PolarHBondContact O-N 2.96Å; D369-R372 IonicContact OD1-CZ 3.16Å; D369-R372 IonicContact OD1-NH1 2.92Å; D369-R372 PolarHBondContact OD1-NH1 3.19Å; D369-R372 IonicContact OD1-NH2 2.61Å; D369-R372 PolarHBondContact OD1-NH2 3.39Å; D369-Q373 PolarHBondContact O-N 2.81Å
370	F	98.6	Very high	97.9	Very high	28 Å²	28	60.6 Å²	60.6	12%	0.123	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-40.9	175.4	-172.6	-93.3	0	0	0	112.5	T325 K366 I367 R372 Q373 K374 L383 F386	T325-F370 HydrophobicContact CG2-CB 3.63Å; T325-F370 HydrophobicContact CG2-CD1 3.59Å; T325-F370 HydrophobicContact CG2-CD2 4.09Å; T325-F370 HydrophobicContact CG2-CE1 4.21Å; T325-F370 HydrophobicContact CG2-CG 3.51Å; K366-F370 PolarHBondContact O-N 3.11Å; K366-F370 VanDerWaalsContact O-N 3.08Å; I367-F370 CarbonylContact O-C 3.58Å; I367-F370 WeakPolarHBondContact O-CA 3.48Å; I367-F370 WeakPolarHBondContact O-CB 2.86Å; I367-F370 PolarHBondContact O-N 3.49Å; F370-R372 VanDerWaalsContact C-N 3.29Å; F370-R372 PolarHBondContact O-N 3.04Å; F370-Q373 PolarHBondContact O-N 3.04Å; F370-Q373 VanDerWaalsContact O-N 3.17Å; F370-K374 HydrophobicContact CD1-CG 3.97Å; F370-K374 HydrophobicContact CE1-CD 4.47Å; F370-K374 HydrophobicContact CE1-CG 3.56Å; F370-K374 HydrophobicContact CE2-CG 4.35Å; F370-K374 HydrophobicContact CZ-CD 4.27Å; F370-K374 VanDerWaalsContact CZ-CE 3.46Å; F370-K374 HydrophobicContact CZ-CG 3.78Å; F370-K374 PolarHBondContact O-N 3.4Å; F370-L383 HydrophobicContact CD1-CD1 3.8Å; F370-L383 HydrophobicContact CE1-CD1 3.75Å; F370-F386 HydrophobicContact CE1-CD1 4.26Å; F370-F386 HydrophobicContact CE1-CE1 4.02Å; F370-F386 HydrophobicContact CE1-CZ 4.48Å; F370-F386 HydrophobicContact CZ-CD1 4.38Å; F370-F386 AromaticContact CZ-CE1 3.7Å; F370-F386 HydrophobicContact CZ-CE1 3.7Å; F370-F386 AromaticContact CZ-CZ 3.86Å; F370-F386 HydrophobicContact CZ-CZ 3.86Å
371	M	98.5	Very high	97.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.7	-42.8	174.8	-69.4	-65.8	-79.9	0	0	111.1	I367 Q368 G375 F376 F380 L383	I367-M371 HydrophobicContact CG2-CG 4.18Å; I367-M371 VanDerWaalsContact O-CG 3.25Å; I367-M371 WeakPolarHBondContact O-CG 3.46Å; I367-M371 PolarHBondContact O-N 2.83Å; Q368-M371 PolarHBondContact O-N 3.18Å; M371-G375 PolarHBondContact O-N 3.48Å; M371-G375 VanDerWaalsContact O-N 3.09Å; M371-F376 HydrophobicContact CE-CB 3.64Å; M371-F376 PolarHBondContact O-N 2.89Å; M371-F376 HydrophobicContact SD-CB 3.85Å; M371-F376 HydrophobicContact SD-CD2 3.85Å; M371-F376 HydrophobicContact SD-CG 4.38Å; M371-F380 HydrophobicContact CE-CD1 3.85Å; M371-F380 HydrophobicContact CE-CD2 4.49Å; M371-F380 HydrophobicContact CE-CE1 3.93Å; M371-F380 HydrophobicContact CE-CG 4.12Å; M371-F380 HydrophobicContact CE-CZ 4.25Å; M371-F380 HydrophobicContact CG-CE1 4.01Å; M371-F380 HydrophobicContact CG-CZ 4.47Å; M371-F380 HydrophobicContact SD-CD1 4.25Å; M371-F380 HydrophobicContact SD-CE1 4.19Å; M371-L383 HydrophobicContact CE-CB 4.44Å; M371-L383 HydrophobicContact SD-CB 3.71Å; M371-L383 HydrophobicContact SD-CD1 4.13Å; M371-L383 HydrophobicContact SD-CD2 3.81Å; M371-L383 HydrophobicContact SD-CG 4.09Å
372	R	98.2	Very high	97.9	Very high	164 Å²	164	69 Å²	69	62%	0.619	36%	0.358	S	S	*	.	H	α-helix	trans	-66.2	-44.1	174.3	-67.1	-166.9	-49.6	-81.7	8.9	111.9	Q368 D369 F370 K374 G375	Q368-R372 WeakPolarHBondContact O-CG 3.39Å; Q368-R372 PolarHBondContact O-N 3.5Å; Q368-R372 VanDerWaalsContact O-N 3.09Å; Q368-R372 PolarHBondContact O-NH1 3.47Å; D369-R372 PolarHBondContact O-N 2.96Å; D369-R372 IonicContact OD1-CZ 3.16Å; D369-R372 IonicContact OD1-NH1 2.92Å; D369-R372 PolarHBondContact OD1-NH1 3.19Å; D369-R372 IonicContact OD1-NH2 2.61Å; D369-R372 PolarHBondContact OD1-NH2 3.39Å; F370-R372 VanDerWaalsContact C-N 3.29Å; F370-R372 PolarHBondContact O-N 3.04Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.3Å; R372-G375 PolarHBondContact O-N 3.11Å
373	Q	98.1	Very high	97.9	Very high	157 Å²	157	63.9 Å²	63.9	73%	0.734	33%	0.334	S	S	*	.	H	α-helix	trans	-61.8	-38.6	179	-173.2	-175.7	5.6	0	0	112.7	D369 F370	D369-Q373 PolarHBondContact O-N 2.81Å; F370-Q373 PolarHBondContact O-N 3.04Å; F370-Q373 VanDerWaalsContact O-N 3.17Å
374	K	97.8	Very high	98	Very high	100 Å²	100	62.5 Å²	62.5	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-83.5	-9.8	178.2	-69.8	-63.2	-172	-179.7	0	114	F370 R372 F376	F370-K374 HydrophobicContact CD1-CG 3.97Å; F370-K374 HydrophobicContact CE1-CD 4.47Å; F370-K374 HydrophobicContact CE1-CG 3.56Å; F370-K374 HydrophobicContact CE2-CG 4.35Å; F370-K374 HydrophobicContact CZ-CD 4.27Å; F370-K374 VanDerWaalsContact CZ-CE 3.46Å; F370-K374 HydrophobicContact CZ-CG 3.78Å; F370-K374 PolarHBondContact O-N 3.4Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.3Å; K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 HydrophobicContact CB-CD1 3.95Å; K374-F376 HydrophobicContact CB-CD2 3.74Å; K374-F376 HydrophobicContact CB-CE1 3.85Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CG 3.91Å; K374-F376 HydrophobicContact CB-CZ 3.7Å; K374-F376 HydrophobicContact CG-CD2 4.44Å; K374-F376 HydrophobicContact CG-CE2 3.97Å; K374-F376 HydrophobicContact CG-CZ 4.12Å
375	G	98	Very high	97.9	Very high	61 Å²	61	62.8 Å²	62.8	63%	0.629	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	28.7	-176.7	0	0	0	0	0	113.4	M371 R372 G377	M371-G375 PolarHBondContact O-N 3.48Å; M371-G375 VanDerWaalsContact O-N 3.09Å; R372-G375 PolarHBondContact O-N 3.11Å; G375-G377 VanDerWaalsContact C-N 3.33Å
376	F	98.2	Very high	98	Very high	36 Å²	36	61.8 Å²	61.8	16%	0.158	32%	0.316	C	S	.	.			trans	-80.8	-13.7	178.7	-63.2	-20.8	0	0	0	113.1	M371 K374 T378 D379 K382 L383 F386	M371-F376 HydrophobicContact CE-CB 3.64Å; M371-F376 PolarHBondContact O-N 2.89Å; M371-F376 HydrophobicContact SD-CB 3.85Å; M371-F376 HydrophobicContact SD-CD2 3.85Å; M371-F376 HydrophobicContact SD-CG 4.38Å; K374-F376 VanDerWaalsContact C-N 3.33Å; K374-F376 HydrophobicContact CB-CD1 3.95Å; K374-F376 HydrophobicContact CB-CD2 3.74Å; K374-F376 HydrophobicContact CB-CE1 3.85Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CG 3.91Å; K374-F376 HydrophobicContact CB-CZ 3.7Å; K374-F376 HydrophobicContact CG-CD2 4.44Å; K374-F376 HydrophobicContact CG-CE2 3.97Å; K374-F376 HydrophobicContact CG-CZ 4.12Å; F376-T378 PolarHBondContact O-N 3.24Å; F376-D379 WeakPolarHBondContact O-CB 3.34Å; F376-D379 PolarHBondContact O-N 2.86Å; F376-K382 HydrophobicContact CB-CB 4.22Å; F376-K382 HydrophobicContact CB-CD 4.45Å; F376-K382 HydrophobicContact CD1-CB 3.9Å; F376-K382 HydrophobicContact CD1-CD 4.07Å; F376-K382 HydrophobicContact CD2-CB 4.22Å; F376-K382 HydrophobicContact CE1-CB 4.28Å; F376-K382 HydrophobicContact CG-CB 3.87Å; F376-K382 HydrophobicContact CG-CD 4.48Å; F376-L383 HydrophobicContact CD2-CB 4.42Å; F376-L383 HydrophobicContact CD2-CD1 4.39Å; F376-L383 HydrophobicContact CE2-CD1 4.3Å; F376-F386 HydrophobicContact CE2-CB 4.05Å; F376-F386 HydrophobicContact CE2-CG 4.39Å; F376-F386 HydrophobicContact CZ-CB 4.13Å; F376-F386 HydrophobicContact CZ-CD2 4.46Å; F376-F386 HydrophobicContact CZ-CG 4.46Å
377	G	97.1	Very high	98.1	Very high	46 Å²	46	54.8 Å²	54.8	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	-130.7	-177.8	0	0	0	0	0	110.7	G375	G375-G377 VanDerWaalsContact C-N 3.33Å
378	T	97.3	Very high	98.1	Very high	121 Å²	121	54.8 Å²	54.8	74%	0.742	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	11.2	176.3	60.2	0	0	0	0	113	F376 F380	F376-T378 PolarHBondContact O-N 3.24Å; T378-F380 WeakPolarHBondContact O-CD2 3.47Å; T378-F380 PolarHBondContact O-N 3.29Å
379	D	98	Very high	98.1	Very high	57 Å²	57	55 Å²	55	31%	0.305	29%	0.287	S	S	.	.			trans	-91.1	85.3	-174.6	-177	8.3	0	0	0	110.6	F376 K381 K382	F376-D379 WeakPolarHBondContact O-CB 3.34Å; F376-D379 PolarHBondContact O-N 2.86Å; D379-K381 PolarHBondContact O-N 3.19Å; D379-K381 WeakPolarHBondContact OD1-CB 3.48Å; D379-K382 HydrophobicContact CB-CD 4.27Å; D379-K382 WeakPolarHBondContact O-CB 3.43Å; D379-K382 PolarHBondContact O-N 3.31Å; D379-K382 VanDerWaalsContact O-N 3.16Å; D379-K382 WeakPolarHBondContact OD2-CD 3.48Å; D379-K382 WeakPolarHBondContact OD2-CE 3.1Å; D379-K382 WeakPolarHBondContact OD2-CG 3.48Å; D379-K382 IonicContact OD2-NZ 3.64Å; D379-K382 PolarHBondContact OD2-NZ 3.11Å; D379-K382 VanDerWaalsContact OD2-NZ 3.07Å
380	F	98.2	Very high	98.1	Very high	12 Å²	12	54.8 Å²	54.8	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-18.2	-177	-73.2	-82.3	0	0	0	114.2	F358 W361 E362 I367 M371 T378 K382 L383 E384	F358-F380 HydrophobicContact CB-CB 3.73Å; F358-F380 HydrophobicContact CB-CD2 4.36Å; F358-F380 HydrophobicContact CB-CG 3.98Å; F358-F380 HydrophobicContact CD1-CB 3.84Å; F358-F380 HydrophobicContact CD2-CB 3.61Å; F358-F380 HydrophobicContact CE1-CB 4.37Å; F358-F380 HydrophobicContact CE2-CB 4.16Å; F358-F380 HydrophobicContact CG-CB 3.43Å; F358-F380 VanDerWaalsContact CG-CB 3.43Å; F358-F380 HydrophobicContact CG-CG 4.24Å; W361-F380 HydrophobicContact CB-CD1 3.87Å; W361-F380 HydrophobicContact CB-CE1 3.91Å; W361-F380 HydrophobicContact CE3-CD1 4.22Å; E362-F380 HydrophobicContact CB-CD2 4.46Å; E362-F380 HydrophobicContact CB-CE1 4.45Å; E362-F380 HydrophobicContact CB-CE2 3.7Å; E362-F380 HydrophobicContact CB-CZ 3.72Å; E362-F380 HydrophobicContact CG-CE2 3.83Å; E362-F380 HydrophobicContact CG-CZ 4.05Å; I367-F380 HydrophobicContact CG2-CE1 4.2Å; M371-F380 HydrophobicContact CE-CD1 3.85Å; M371-F380 HydrophobicContact CE-CD2 4.49Å; M371-F380 HydrophobicContact CE-CE1 3.93Å; M371-F380 HydrophobicContact CE-CG 4.12Å; M371-F380 HydrophobicContact CE-CZ 4.25Å; M371-F380 HydrophobicContact CG-CE1 4.01Å; M371-F380 HydrophobicContact CG-CZ 4.47Å; M371-F380 HydrophobicContact SD-CD1 4.25Å; M371-F380 HydrophobicContact SD-CE1 4.19Å; T378-F380 WeakPolarHBondContact O-CD2 3.47Å; T378-F380 PolarHBondContact O-N 3.29Å; F380-K382 PolarHBondContact O-N 3.49Å; F380-L383 HydrophobicContact CD1-CD2 4.14Å; F380-L383 WeakPolarHBondContact O-CA 3.03Å; F380-L383 WeakPolarHBondContact O-CB 3.36Å; F380-L383 PolarHBondContact O-N 2.82Å; F380-E384 PolarHBondContact O-N 3.4Å
381	K	98	Very high	98.1	Very high	88 Å²	88	53.5 Å²	53.5	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-33.3	171.4	-58.2	-170.5	169.1	-133.4	0	112.1	F358 D379 L383 S385 D411	F358-K381 HydrophobicContact CE2-CG 3.77Å; F358-K381 HydrophobicContact CZ-CG 4.05Å; D379-K381 PolarHBondContact O-N 3.19Å; D379-K381 WeakPolarHBondContact OD1-CB 3.48Å; K381-L383 VanDerWaalsContact C-N 3.33Å; K381-S385 VanDerWaalsContact O-CB 3.27Å; K381-S385 WeakPolarHBondContact O-CB 3.44Å; K381-S385 PolarHBondContact O-N 3.35Å; K381-S385 PolarHBondContact O-OG 3.24Å; K381-D411 HydrophobicContact CB-CB 4.14Å; K381-D411 HydrophobicContact CD-CB 4.14Å; K381-D411 WeakPolarHBondContact CD-OD2 3.46Å; K381-D411 WeakPolarHBondContact CE-OD2 3.33Å; K381-D411 HydrophobicContact CG-CB 4.32Å; K381-D411 VanDerWaalsContact CG-OD2 3.26Å; K381-D411 WeakPolarHBondContact CG-OD2 3.23Å; K381-D411 IonicContact NZ-OD1 2.64Å; K381-D411 PolarHBondContact NZ-OD1 3.41Å; K381-D411 IonicContact NZ-OD2 3.01Å; K381-D411 PolarHBondContact NZ-OD2 2.91Å
382	K	98.2	Very high	98.1	Very high	99 Å²	99	54 Å²	54	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-68.6	-31.6	172.7	-71.2	175.2	-178.8	146.3	0	112.8	F376 D379 F380 F386	F376-K382 HydrophobicContact CB-CB 4.22Å; F376-K382 HydrophobicContact CB-CD 4.45Å; F376-K382 HydrophobicContact CD1-CB 3.9Å; F376-K382 HydrophobicContact CD1-CD 4.07Å; F376-K382 HydrophobicContact CD2-CB 4.22Å; F376-K382 HydrophobicContact CE1-CB 4.28Å; F376-K382 HydrophobicContact CG-CB 3.87Å; F376-K382 HydrophobicContact CG-CD 4.48Å; D379-K382 HydrophobicContact CB-CD 4.27Å; D379-K382 WeakPolarHBondContact O-CB 3.43Å; D379-K382 PolarHBondContact O-N 3.31Å; D379-K382 VanDerWaalsContact O-N 3.16Å; D379-K382 WeakPolarHBondContact OD2-CD 3.48Å; D379-K382 WeakPolarHBondContact OD2-CE 3.1Å; D379-K382 WeakPolarHBondContact OD2-CG 3.48Å; D379-K382 IonicContact OD2-NZ 3.64Å; D379-K382 PolarHBondContact OD2-NZ 3.11Å; D379-K382 VanDerWaalsContact OD2-NZ 3.07Å; F380-K382 PolarHBondContact O-N 3.49Å; K382-F386 VanDerWaalsContact O-CB 3.3Å; K382-F386 WeakPolarHBondContact O-CB 3.43Å; K382-F386 PolarHBondContact O-N 2.7Å
383	L	98.5	Very high	98.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.6	-42.9	176.9	-174.4	63.3	0	0	0	111.1	P324 W361 I367 F370 M371 F376 F380 K381 F386 Y387	P324-L383 HydrophobicContact CB-CD1 4.47Å; P324-L383 HydrophobicContact CG-CD1 3.79Å; P324-L383 HydrophobicContact CG-CD2 3.76Å; P324-L383 HydrophobicContact CG-CG 3.6Å; W361-L383 HydrophobicContact CD2-CD2 4.02Å; W361-L383 HydrophobicContact CE3-CD2 3.85Å; W361-L383 HydrophobicContact CE3-CG 4.4Å; W361-L383 HydrophobicContact CG-CD2 4.41Å; W361-L383 HydrophobicContact CZ3-CB 4.45Å; W361-L383 HydrophobicContact CZ3-CD2 4.32Å; W361-L383 HydrophobicContact CZ3-CG 4.38Å; I367-L383 HydrophobicContact CG2-CD2 3.55Å; F370-L383 HydrophobicContact CD1-CD1 3.8Å; F370-L383 HydrophobicContact CE1-CD1 3.75Å; M371-L383 HydrophobicContact CE-CB 4.44Å; M371-L383 HydrophobicContact SD-CB 3.71Å; M371-L383 HydrophobicContact SD-CD1 4.13Å; M371-L383 HydrophobicContact SD-CD2 3.81Å; M371-L383 HydrophobicContact SD-CG 4.09Å; F376-L383 HydrophobicContact CD2-CB 4.42Å; F376-L383 HydrophobicContact CD2-CD1 4.39Å; F376-L383 HydrophobicContact CE2-CD1 4.3Å; F380-L383 HydrophobicContact CD1-CD2 4.14Å; F380-L383 WeakPolarHBondContact O-CA 3.03Å; F380-L383 WeakPolarHBondContact O-CB 3.36Å; F380-L383 PolarHBondContact O-N 2.82Å; K381-L383 VanDerWaalsContact C-N 3.33Å; L383-F386 WeakPolarHBondContact O-CB 3.48Å; L383-F386 PolarHBondContact O-N 3.29Å; L383-Y387 PolarHBondContact O-N 2.92Å
384	E	98.3	Very high	98.1	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-59.5	-49.4	170.4	177.4	-173.6	-115.3	0	0	111.3	V356 F358 W361 F380 F386 Y387 I388 D411	V356-E384 WeakPolarHBondContact CB-OE1 3.43Å; V356-E384 HydrophobicContact CG2-CG 4.47Å; V356-E384 WeakPolarHBondContact CG2-OE1 3.38Å; F358-E384 HydrophobicContact CE1-CB 4.15Å; F358-E384 HydrophobicContact CZ-CB 4.49Å; W361-E384 HydrophobicContact CH2-CB 4.17Å; W361-E384 HydrophobicContact CZ3-CB 3.98Å; F380-E384 PolarHBondContact O-N 3.4Å; E384-F386 VanDerWaalsContact C-N 3.27Å; E384-F386 PolarHBondContact O-N 2.99Å; E384-Y387 WeakPolarHBondContact O-CA 3.23Å; E384-Y387 VanDerWaalsContact O-CB 3.31Å; E384-Y387 WeakPolarHBondContact O-CB 3.45Å; E384-Y387 PolarHBondContact O-N 2.89Å; E384-I388 PolarHBondContact O-N 3.38Å; E384-D411 WeakPolarHBondContact OE2-CB 3.48Å
385	S	97.7	Very high	98.1	Very high	11 Å²	11	40 Å²	40	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-40.8	174.1	-72.3	0	0	0	0	112.2	K381 Y387 Q389 D411 A413	K381-S385 VanDerWaalsContact O-CB 3.27Å; K381-S385 WeakPolarHBondContact O-CB 3.44Å; K381-S385 PolarHBondContact O-N 3.35Å; K381-S385 PolarHBondContact O-OG 3.24Å; S385-Y387 VanDerWaalsContact C-N 3.34Å; S385-Q389 VanDerWaalsContact O-CB 3.27Å; S385-Q389 WeakPolarHBondContact O-CB 3.2Å; S385-Q389 WeakPolarHBondContact O-CG 3.45Å; S385-Q389 PolarHBondContact O-N 3.04Å; S385-Q389 VanDerWaalsContact O-N 3.09Å; S385-D411 PolarHBondContact OG-O 2.69Å; S385-A413 WeakPolarHBondContact OG-CA 3.38Å; S385-A413 PolarHBondContact OG-N 3.36Å
386	F	98.2	Very high	98.1	Very high	35 Å²	35	39.7 Å²	39.7	15%	0.154	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-41	175.6	170.2	-94.5	0	0	0	112.1	Y330 F370 F376 K382 L383 E384 K390	Y330-F386 WeakPolarHBondContact OH-CE1 3.49Å; F370-F386 HydrophobicContact CE1-CD1 4.26Å; F370-F386 HydrophobicContact CE1-CE1 4.02Å; F370-F386 HydrophobicContact CE1-CZ 4.48Å; F370-F386 HydrophobicContact CZ-CD1 4.38Å; F370-F386 AromaticContact CZ-CE1 3.7Å; F370-F386 HydrophobicContact CZ-CE1 3.7Å; F370-F386 AromaticContact CZ-CZ 3.86Å; F370-F386 HydrophobicContact CZ-CZ 3.86Å; F376-F386 HydrophobicContact CE2-CB 4.05Å; F376-F386 HydrophobicContact CE2-CG 4.39Å; F376-F386 HydrophobicContact CZ-CB 4.13Å; F376-F386 HydrophobicContact CZ-CD2 4.46Å; F376-F386 HydrophobicContact CZ-CG 4.46Å; K382-F386 VanDerWaalsContact O-CB 3.3Å; K382-F386 WeakPolarHBondContact O-CB 3.43Å; K382-F386 PolarHBondContact O-N 2.7Å; L383-F386 WeakPolarHBondContact O-CB 3.48Å; L383-F386 PolarHBondContact O-N 3.29Å; E384-F386 VanDerWaalsContact C-N 3.27Å; E384-F386 PolarHBondContact O-N 2.99Å; F386-K390 HydrophobicContact CE1-CD 3.95Å; F386-K390 HydrophobicContact CE2-CD 4.29Å; F386-K390 HydrophobicContact CZ-CD 3.82Å
387	Y	98.7	Very high	98.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-58.2	176	170.9	-96.6	0	0	0	111.4	T291 P292 I322 P324 T329 Y330 L333 L383 E384 S385 Q389 K390 V391	T291-Y387 WeakPolarHBondContact CB-OH 2.99Å; T291-Y387 WeakPolarHBondContact OG1-CE1 3.22Å; T291-Y387 PolarHBondContact OG1-OH 2.99Å; P292-Y387 HydrophobicContact CB-CD1 3.79Å; P292-Y387 HydrophobicContact CB-CE1 3.59Å; P292-Y387 HydrophobicContact CB-CE2 4.41Å; P292-Y387 HydrophobicContact CB-CG 4.32Å; P292-Y387 VanDerWaalsContact CD-CE1 3.5Å; P292-Y387 HydrophobicContact CG-CD1 3.63Å; P292-Y387 HydrophobicContact CG-CE1 3.81Å; P292-Y387 HydrophobicContact CG-CG 4.34Å; I322-Y387 HydrophobicContact CG2-CE2 3.82Å; P324-Y387 HydrophobicContact CB-CD2 3.83Å; P324-Y387 HydrophobicContact CB-CG 4.16Å; T329-Y387 HydrophobicContact CG2-CE2 4.25Å; Y330-Y387 AromaticContact CE1-CD2 3.98Å; Y330-Y387 HydrophobicContact CE1-CD2 3.98Å; Y330-Y387 HydrophobicContact CE1-CE2 4.38Å; L333-Y387 HydrophobicContact CD1-CE2 3.75Å; L333-Y387 VanDerWaalsContact CD1-OH 3.25Å; L333-Y387 WeakPolarHBondContact CD1-OH 3.47Å; L383-Y387 PolarHBondContact O-N 2.92Å; E384-Y387 WeakPolarHBondContact O-CA 3.23Å; E384-Y387 VanDerWaalsContact O-CB 3.31Å; E384-Y387 WeakPolarHBondContact O-CB 3.45Å; E384-Y387 PolarHBondContact O-N 2.89Å; S385-Y387 VanDerWaalsContact C-N 3.34Å; Y387-Q389 VanDerWaalsContact C-N 3.32Å; Y387-Q389 PolarHBondContact O-N 3.3Å; Y387-K390 WeakPolarHBondContact O-CB 3.39Å; Y387-K390 PolarHBondContact O-N 2.89Å; Y387-V391 HydrophobicContact CD1-CG2 4.34Å; Y387-V391 HydrophobicContact CE1-CG2 3.77Å; Y387-V391 HydrophobicContact CE2-CG2 4.02Å; Y387-V391 PolarHBondContact O-N 3.39Å
388	I	98.3	Very high	98.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-34.1	-170.7	-162	68.4	0	0	0	111.6	L351 E384 K390 V391 L392 V408 A413	L351-I388 HydrophobicContact CB-CD1 4.43Å; E384-I388 PolarHBondContact O-N 3.38Å; I388-K390 VanDerWaalsContact C-N 3.3Å; I388-K390 PolarHBondContact O-N 2.9Å; I388-V391 PolarHBondContact O-N 3.27Å; I388-V391 VanDerWaalsContact O-N 3.14Å; I388-L392 HydrophobicContact CG1-CD1 4.41Å; I388-L392 WeakPolarHBondContact O-CB 3.27Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.43Å; I388-L392 PolarHBondContact O-N 3.21Å; I388-V408 HydrophobicContact CD1-CG2 4.49Å; I388-V408 HydrophobicContact CG1-CG1 4Å; I388-V408 HydrophobicContact CG1-CG2 4.01Å; I388-V408 HydrophobicContact CG2-CG1 3.95Å; I388-A413 HydrophobicContact CG2-CB 3.63Å
389	Q	98	Very high	98.1	Very high	55 Å²	55	44.3 Å²	44.3	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-58.7	-40.8	172.4	-76.2	170.9	175.8	0	0	112.2	S385 Y387 V391 L392 D393 K414	S385-Q389 VanDerWaalsContact O-CB 3.27Å; S385-Q389 WeakPolarHBondContact O-CB 3.2Å; S385-Q389 WeakPolarHBondContact O-CG 3.45Å; S385-Q389 PolarHBondContact O-N 3.04Å; S385-Q389 VanDerWaalsContact O-N 3.09Å; Y387-Q389 VanDerWaalsContact C-N 3.32Å; Y387-Q389 PolarHBondContact O-N 3.3Å; Q389-V391 VanDerWaalsContact C-N 3.34Å; Q389-L392 PolarHBondContact O-N 2.95Å; Q389-D393 VanDerWaalsContact O-CG 3.24Å; Q389-D393 PolarHBondContact O-N 3.39Å; Q389-K414 HydrophobicContact CG-CB 4.45Å; Q389-K414 VanDerWaalsContact OE1-CB 3.25Å
390	K	98.3	Very high	98.2	Very high	75 Å²	75	43.2 Å²	43.2	33%	0.326	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-35.2	176.4	-77	176.5	157	-74	0	112.3	Y330 F386 Y387 I388 I394	Y330-K390 HydrophobicContact CD1-CB 3.8Å; Y330-K390 HydrophobicContact CD1-CD 3.85Å; Y330-K390 HydrophobicContact CD1-CG 4.47Å; Y330-K390 HydrophobicContact CD2-CD 4.24Å; Y330-K390 HydrophobicContact CE1-CB 3.56Å; Y330-K390 HydrophobicContact CE1-CD 3.37Å; Y330-K390 HydrophobicContact CE1-CG 4.12Å; Y330-K390 HydrophobicContact CE2-CD 3.82Å; Y330-K390 HydrophobicContact CG-CD 4.25Å; F386-K390 HydrophobicContact CE1-CD 3.95Å; F386-K390 HydrophobicContact CE2-CD 4.29Å; F386-K390 HydrophobicContact CZ-CD 3.82Å; Y387-K390 WeakPolarHBondContact O-CB 3.39Å; Y387-K390 PolarHBondContact O-N 2.89Å; I388-K390 VanDerWaalsContact C-N 3.3Å; I388-K390 PolarHBondContact O-N 2.9Å; K390-I394 WeakPolarHBondContact O-CG1 3.49Å; K390-I394 PolarHBondContact O-N 2.92Å
391	V	98.5	Very high	98.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.8	-45.1	175	-175.3	0	0	0	0	110.3	L333 F337 L351 Y387 I388 Q389 D393 I394 I395	L333-V391 HydrophobicContact CD1-CG2 4.01Å; F337-V391 HydrophobicContact CD2-CG1 4.25Å; F337-V391 HydrophobicContact CE2-CG1 3.68Å; F337-V391 HydrophobicContact CZ-CG1 4.29Å; L351-V391 HydrophobicContact CD1-CG1 4.05Å; L351-V391 HydrophobicContact CD2-CG1 4.21Å; Y387-V391 HydrophobicContact CD1-CG2 4.34Å; Y387-V391 HydrophobicContact CE1-CG2 3.77Å; Y387-V391 HydrophobicContact CE2-CG2 4.02Å; Y387-V391 PolarHBondContact O-N 3.39Å; I388-V391 PolarHBondContact O-N 3.27Å; I388-V391 VanDerWaalsContact O-N 3.14Å; Q389-V391 VanDerWaalsContact C-N 3.34Å; V391-D393 VanDerWaalsContact C-N 3.29Å; V391-D393 PolarHBondContact O-N 3.13Å; V391-I394 WeakPolarHBondContact O-CA 3.29Å; V391-I394 WeakPolarHBondContact O-CB 3.35Å; V391-I394 PolarHBondContact O-N 2.95Å; V391-I395 WeakPolarHBondContact O-CG1 3.41Å; V391-I395 PolarHBondContact O-N 3.04Å
392	L	98.3	Very high	98.2	Very high	12 Å²	12	40 Å²	40	6%	0.063	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-43.7	174.1	-72	164.1	0	0	0	111.7	L351 I388 Q389 I394 I395 A396 S402 V404 L415 T419	L351-L392 HydrophobicContact CD1-CD2 3.72Å; L351-L392 HydrophobicContact CD1-CG 4.2Å; I388-L392 HydrophobicContact CG1-CD1 4.41Å; I388-L392 WeakPolarHBondContact O-CB 3.27Å; I388-L392 VanDerWaalsContact O-CG 3.29Å; I388-L392 WeakPolarHBondContact O-CG 3.43Å; I388-L392 PolarHBondContact O-N 3.21Å; Q389-L392 PolarHBondContact O-N 2.95Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 PolarHBondContact O-N 3.15Å; L392-I395 PolarHBondContact O-N 2.78Å; L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 3.39Å; L392-S402 VanDerWaalsContact CD2-CB 3.48Å; L392-V404 HydrophobicContact CD2-CG1 4.37Å; L392-L415 HydrophobicContact CD1-CD2 3.64Å; L392-T419 HydrophobicContact CD2-CG2 4.34Å
393	D	98.1	Very high	98.2	Very high	105 Å²	105	35.3 Å²	35.3	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-61.8	-38.2	175.7	-70.2	-21.1	0	0	0	112.5	Q389 V391 T397	Q389-D393 VanDerWaalsContact O-CG 3.24Å; Q389-D393 PolarHBondContact O-N 3.39Å; V391-D393 VanDerWaalsContact C-N 3.29Å; V391-D393 PolarHBondContact O-N 3.13Å; D393-T397 WeakPolarHBondContact O-CB 3.39Å; D393-T397 PolarHBondContact O-N 3.47Å; D393-T397 PolarHBondContact O-OG1 2.67Å
394	I	98.3	Very high	98.3	Very high	20 Å²	20	35.3 Å²	35.3	10%	0.103	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-46.4	175.1	-71.7	163.9	0	0	0	110.2	L333 T334 F337 K390 V391 L392 T397 I398	L333-I394 HydrophobicContact CB-CD1 4.34Å; T334-I394 WeakPolarHBondContact OG1-CD1 3.4Å; F337-I394 HydrophobicContact CB-CG2 4.27Å; K390-I394 WeakPolarHBondContact O-CG1 3.49Å; K390-I394 PolarHBondContact O-N 2.92Å; V391-I394 WeakPolarHBondContact O-CA 3.29Å; V391-I394 WeakPolarHBondContact O-CB 3.35Å; V391-I394 PolarHBondContact O-N 2.95Å; L392-I394 VanDerWaalsContact C-N 3.34Å; L392-I394 PolarHBondContact O-N 3.15Å; I394-T397 WeakPolarHBondContact O-CB 3.39Å; I394-T397 PolarHBondContact O-N 2.8Å; I394-I398 PolarHBondContact O-N 3.5Å
395	I	98.4	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-41.7	-179.7	-58.2	-59	0	0	0	111.5	F337 I349 L351 V391 L392 T397 I398 N399 K400 S402	F337-I395 HydrophobicContact CB-CD1 3.69Å; F337-I395 HydrophobicContact CD1-CD1 3.67Å; F337-I395 HydrophobicContact CD2-CD1 4.1Å; F337-I395 HydrophobicContact CE1-CD1 4.3Å; F337-I395 HydrophobicContact CG-CD1 3.56Å; I349-I395 HydrophobicContact CD1-CD1 4.21Å; L351-I395 HydrophobicContact CD1-CG1 3.96Å; L351-I395 HydrophobicContact CD2-CD1 3.85Å; L351-I395 HydrophobicContact CD2-CG1 3.71Å; L351-I395 HydrophobicContact CG-CG1 4.4Å; V391-I395 WeakPolarHBondContact O-CG1 3.41Å; V391-I395 PolarHBondContact O-N 3.04Å; L392-I395 PolarHBondContact O-N 2.78Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 2.8Å; I395-I398 HydrophobicContact CD1-CD1 4.24Å; I395-I398 WeakPolarHBondContact O-CG1 3.45Å; I395-I398 PolarHBondContact O-N 3.4Å; I395-N399 PolarHBondContact O-N 2.98Å; I395-K400 HydrophobicContact CG2-CB 3.71Å; I395-K400 PolarHBondContact O-N 3.47Å; I395-S402 WeakPolarHBondContact CG2-OG 3.33Å
396	A	97.8	Very high	98.3	Very high	56 Å²	56	34.7 Å²	34.7	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-38.5	174.7	0	0	0	0	0	111.8	L392 I398 N399	L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 3.39Å; A396-I398 PolarHBondContact O-N 2.72Å; A396-N399 PolarHBondContact O-N 2.74Å
397	T	97.9	Very high	98.3	Very high	113 Å²	113	33.5 Å²	33.5	69%	0.693	19%	0.189	S	C	*	.	H	α-helix	trans	-63.1	-30.2	178.6	-60	0	0	0	0	112.7	D393 I394 I395	D393-T397 WeakPolarHBondContact O-CB 3.39Å; D393-T397 PolarHBondContact O-N 3.47Å; D393-T397 PolarHBondContact O-OG1 2.67Å; I394-T397 WeakPolarHBondContact O-CB 3.39Å; I394-T397 PolarHBondContact O-N 2.8Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 2.8Å
398	I	97.6	Very high	98.3	Very high	35 Å²	35	33.6 Å²	33.6	18%	0.179	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	14	176.6	64.2	-173.9	0	0	0	113.1	F337 K338 I394 I395 A396 K400	F337-I398 HydrophobicContact CB-CD1 4.16Å; F337-I398 VanDerWaalsContact O-CD1 3.27Å; F337-I398 WeakPolarHBondContact O-CD1 3.46Å; K338-I398 HydrophobicContact CD-CG2 3.93Å; I394-I398 PolarHBondContact O-N 3.5Å; I395-I398 HydrophobicContact CD1-CD1 4.24Å; I395-I398 WeakPolarHBondContact O-CG1 3.45Å; I395-I398 PolarHBondContact O-N 3.4Å; A396-I398 PolarHBondContact O-N 2.72Å; I398-K400 HydrophobicContact CG1-CG 4.47Å; I398-K400 PolarHBondContact O-N 2.9Å
399	N	97.8	Very high	98.3	Very high	151 Å²	151	35.1 Å²	35.1	81%	0.807	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	38	175.3	-55.7	-67.7	0	0	0	114.9	I395 A396	I395-N399 PolarHBondContact O-N 2.98Å; A396-N399 PolarHBondContact O-N 2.74Å
400	K	98.5	Very high	98.3	Very high	35 Å²	35	34.7 Å²	34.7	15%	0.152	20%	0.196	C	C	.	.			trans	-109.7	155.4	169.7	-67.5	-73.8	-170	167.3	0	110.1	S341 F344 P345 D346 Q347 I349 I395 I398	S341-K400 WeakPolarHBondContact O-CE 3.38Å; S341-K400 PolarHBondContact O-NZ 3.22Å; F344-K400 PolarHBondContact O-NZ 2.91Å; P345-K400 PolarHBondContact O-NZ 2.96Å; D346-K400 WeakPolarHBondContact O-CD 3.44Å; D346-K400 PolarHBondContact O-NZ 2.76Å; Q347-K400 WeakPolarHBondContact O-CA 3.36Å; I349-K400 HydrophobicContact CD1-CB 4.27Å; I349-K400 HydrophobicContact CD1-CG 4.11Å; I395-K400 HydrophobicContact CG2-CB 3.71Å; I395-K400 PolarHBondContact O-N 3.47Å; I398-K400 HydrophobicContact CG1-CG 4.47Å; I398-K400 PolarHBondContact O-N 2.9Å
401	G	98.4	Very high	98.3	Very high	24 Å²	24	32.2 Å²	32.2	25%	0.247	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	159.3	167.5	0	0	0	0	0	111.3	Q347 F348 I349	Q347-G401 PolarHBondContact O-N 2.88Å; F348-G401 WeakPolarHBondContact CA-O 3.27Å; I349-G401 PolarHBondContact N-O 3.31Å
402	S	98.7	Very high	98.2	Very high	8 Å²	8	40.7 Å²	40.7	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.1	178.8	-61.1	0	0	0	0	111.4	I349 L392 I395 I420	I349-S402 WeakPolarHBondContact O-CA 3.45Å; L392-S402 VanDerWaalsContact CD2-CB 3.48Å; I395-S402 WeakPolarHBondContact CG2-OG 3.33Å; S402-I420 PolarHBondContact O-N 3.36Å
403	I	98.9	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.3	162.9	-43.9	-166.4	0	0	0	107.5	L286 F348 I349 H350 L351 I420 E422 I444	L286-I403 HydrophobicContact CD1-CD1 4.07Å; L286-I403 HydrophobicContact CD2-CD1 3.72Å; F348-I403 HydrophobicContact CB-CD1 4.08Å; F348-I403 HydrophobicContact CB-CG1 3.98Å; F348-I403 HydrophobicContact CD1-CD1 4.42Å; F348-I403 HydrophobicContact CD1-CG1 3.99Å; F348-I403 HydrophobicContact CG-CD1 4.32Å; F348-I403 HydrophobicContact CG-CG1 4.25Å; I349-I403 PolarHBondContact O-N 3.31Å; H350-I403 WeakPolarHBondContact CA-O 3.14Å; H350-I403 HydrophobicContact CB-CB 4.38Å; H350-I403 VanDerWaalsContact CD2-CB 3.45Å; H350-I403 WeakPolarHBondContact CD2-CB 3.46Å; H350-I403 WeakPolarHBondContact CD2-CG2 3.21Å; H350-I403 WeakPolarHBondContact NE2-CG2 3.18Å; L351-I403 PolarHBondContact N-O 2.93Å; I403-I420 WeakPolarHBondContact CA-O 3.38Å; I403-I420 HydrophobicContact CB-CB 4.37Å; I403-I420 HydrophobicContact CD1-CB 4.44Å; I403-I420 HydrophobicContact CD1-CD1 4Å; I403-I420 HydrophobicContact CG1-CB 4.03Å; I403-I420 HydrophobicContact CG1-CD1 4.13Å; I403-I420 HydrophobicContact CG1-CG1 4.45Å; I403-I420 HydrophobicContact CG2-CB 4.08Å; I403-I420 HydrophobicContact CG2-CG2 4.15Å; I403-E422 HydrophobicContact CG2-CB 4.38Å; I403-I444 HydrophobicContact CD1-CD1 4Å; I403-I444 HydrophobicContact CG2-CD1 4.33Å
404	V	98.8	Very high	98.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.1	-179.3	-63.2	0	0	0	0	110.1	L351 L392 V408 L415 T419 I420 V421 E422	L351-V404 HydrophobicContact CB-CG1 4.37Å; L392-V404 HydrophobicContact CD2-CG1 4.37Å; V404-V408 HydrophobicContact CB-CB 4.03Å; V404-V408 HydrophobicContact CB-CG1 4.19Å; V404-V408 HydrophobicContact CB-CG2 4.07Å; V404-V408 HydrophobicContact CG1-CG1 4.28Å; V404-V408 HydrophobicContact CG1-CG2 4.47Å; V404-V408 HydrophobicContact CG2-CB 4.02Å; V404-V408 HydrophobicContact CG2-CG1 4.02Å; V404-L415 HydrophobicContact CG2-CD1 4.39Å; V404-T419 HydrophobicContact CG1-CG2 4.44Å; V404-T419 HydrophobicContact CG2-CG2 4.07Å; V404-I420 PolarHBondContact N-O 3.48Å; V404-V421 HydrophobicContact CG2-CG2 4.25Å; V404-V421 WeakPolarHBondContact O-CA 3.42Å; V404-E422 PolarHBondContact O-N 3.35Å
405	W	98.8	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	158.4	167.8	-65.3	120.9	0	0	0	111.2	L206 H235 E288 H350 G352 D354 E407 V408 E422 W424 W489	L206-W405 HydrophobicContact CD1-CH2 3.89Å; L206-W405 HydrophobicContact CD1-CZ2 3.81Å; H235-W405 AromaticContact CE1-CZ2 3.81Å; E288-W405 PolarHBondContact OE1-NE1 3.35Å; H350-W405 AromaticContact CE1-CD1 3.64Å; H350-W405 AromaticContact CE1-CD2 3.69Å; H350-W405 AromaticContact CE1-CE2 3.44Å; H350-W405 VanDerWaalsContact CE1-CE2 3.44Å; H350-W405 AromaticContact CE1-CG 3.78Å; H350-W405 AromaticContact CE1-CZ2 4Å; H350-W405 AromaticContact CE1-NE1 3.38Å; H350-W405 PolarHBondContact CE1-NE1 2.77Å; H350-W405 AromaticContact ND1-NE1 3.93Å; H350-W405 AromaticContact NE2-CE2 4Å; G352-W405 PolarHBondContact O-N 3.47Å; D354-W405 HydrophobicContact CB-CB 3.79Å; D354-W405 HydrophobicContact CB-CG 3.84Å; D354-W405 PolarHBondContact OD1-NE1 3.25Å; W405-E407 PolarHBondContact O-N 2.62Å; W405-E407 VanDerWaalsContact O-N 3.15Å; W405-V408 PolarHBondContact O-N 2.82Å; W405-E422 HydrophobicContact CE3-CB 3.76Å; W405-E422 HydrophobicContact CE3-CG 3.8Å; W405-E422 VanDerWaalsContact CH2-CD 3.5Å; W405-E422 HydrophobicContact CH2-CG 4.25Å; W405-E422 WeakPolarHBondContact CH2-OE1 3.29Å; W405-E422 HydrophobicContact CZ3-CB 3.89Å; W405-E422 HydrophobicContact CZ3-CG 3.39Å; W405-E422 WeakPolarHBondContact CZ3-OE1 3.12Å; W405-W424 HydrophobicContact CE3-CB 3.81Å; W405-W424 AromaticContact CE3-CD1 3.58Å; W405-W424 AromaticContact CE3-CG 3.92Å; W405-W424 HydrophobicContact CE3-CG 3.92Å; W405-W424 HydrophobicContact CZ3-CB 3.74Å; W405-W424 HydrophobicContact CZ3-CG 4.28Å; W405-W489 HydrophobicContact CH2-CZ2 4.2Å; W405-W489 AromaticContact CZ2-CH2 3.84Å; W405-W489 HydrophobicContact CZ2-CH2 3.84Å; W405-W489 AromaticContact CZ2-CZ2 3.95Å; W405-W489 HydrophobicContact CZ2-CZ2 3.95Å
406	Q	98.6	Very high	97.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-28.9	-171	67.5	173.8	85.2	0	0	115	V408 F409 D410 V421 E422 W424 K425 E432	Q406-V408 PolarHBondContact O-N 2.8Å; Q406-F409 CarbonylContact O-C 3.58Å; Q406-F409 WeakPolarHBondContact O-CA 3.44Å; Q406-F409 WeakPolarHBondContact O-CB 3.37Å; Q406-F409 PolarHBondContact O-N 2.73Å; Q406-D410 PolarHBondContact NE2-OD2 3.31Å; Q406-D410 VanDerWaalsContact O-CG 3.29Å; Q406-D410 PolarHBondContact O-N 3.33Å; Q406-V421 HydrophobicContact CB-CG1 4.33Å; Q406-E422 PolarHBondContact N-O 2.89Å; Q406-W424 VanDerWaalsContact OE1-N 3.12Å; Q406-K425 HydrophobicContact CG-CD 4.42Å; Q406-K425 HydrophobicContact CG-CG 4.39Å; Q406-E432 PolarHBondContact NE2-OE2 2.84Å
407	E	98.5	Very high	97.8	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-52.9	-41.2	179.4	-79.8	86.7	159.3	0	0	112.1	G353 E355 W405 F409 D410 D411 W424 K425	G353-E407 WeakPolarHBondContact O-CB 3.33Å; E355-E407 PolarHBondContact N-OE1 3.04Å; W405-E407 PolarHBondContact O-N 2.62Å; W405-E407 VanDerWaalsContact O-N 3.15Å; E407-F409 PolarHBondContact O-N 3.31Å; E407-D410 PolarHBondContact O-N 3Å; E407-D411 WeakPolarHBondContact O-CB 3.44Å; E407-D411 PolarHBondContact O-N 3.07Å; E407-W424 VanDerWaalsContact OE1-CZ2 3.29Å; E407-W424 WeakPolarHBondContact OE1-CZ2 3.43Å; E407-W424 PolarHBondContact OE1-NE1 2.83Å; E407-W424 PolarHBondContact OE2-NE1 2.87Å; E407-K425 WeakPolarHBondContact OE1-CE 3.3Å; E407-K425 IonicContact OE1-NZ 3.07Å; E407-K425 PolarHBondContact OE1-NZ 2.63Å; E407-K425 IonicContact OE2-NZ 3.94Å
408	V	98.3	Very high	97.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-36.8	178.6	172.9	0	0	0	0	111.2	I388 V404 W405 Q406 A413 L415	I388-V408 HydrophobicContact CD1-CG2 4.49Å; I388-V408 HydrophobicContact CG1-CG1 4Å; I388-V408 HydrophobicContact CG1-CG2 4.01Å; I388-V408 HydrophobicContact CG2-CG1 3.95Å; V404-V408 HydrophobicContact CB-CB 4.03Å; V404-V408 HydrophobicContact CB-CG1 4.19Å; V404-V408 HydrophobicContact CB-CG2 4.07Å; V404-V408 HydrophobicContact CG1-CG1 4.28Å; V404-V408 HydrophobicContact CG1-CG2 4.47Å; V404-V408 HydrophobicContact CG2-CB 4.02Å; V404-V408 HydrophobicContact CG2-CG1 4.02Å; W405-V408 PolarHBondContact O-N 2.82Å; Q406-V408 PolarHBondContact O-N 2.8Å; V408-A413 HydrophobicContact CG1-CB 3.92Å; V408-A413 VanDerWaalsContact O-CB 3.24Å; V408-A413 WeakPolarHBondContact O-CB 2.79Å; V408-A413 PolarHBondContact O-N 3.49Å; V408-A413 VanDerWaalsContact O-N 3.15Å; V408-L415 HydrophobicContact CG1-CD2 3.55Å
409	F	98.5	Very high	97.8	Very high	32 Å²	32	45.2 Å²	45.2	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-77.4	-47.2	174.4	176.4	-94.5	0	0	0	112	Q406 E407 D411 K412 L415 V421 R435 V436 S439 F441	Q406-F409 CarbonylContact O-C 3.58Å; Q406-F409 WeakPolarHBondContact O-CA 3.44Å; Q406-F409 WeakPolarHBondContact O-CB 3.37Å; Q406-F409 PolarHBondContact O-N 2.73Å; E407-F409 PolarHBondContact O-N 3.31Å; F409-D411 VanDerWaalsContact C-N 3.27Å; F409-D411 PolarHBondContact O-N 3.29Å; F409-K412 PolarHBondContact O-N 3.09Å; F409-L415 HydrophobicContact CB-CD1 4.34Å; F409-L415 HydrophobicContact CD2-CD1 4.34Å; F409-V421 HydrophobicContact CB-CG1 4.1Å; F409-V421 HydrophobicContact CB-CG2 4.22Å; F409-R435 HydrophobicContact CE1-CB 4Å; F409-R435 HydrophobicContact CZ-CB 4.33Å; F409-V436 HydrophobicContact CD1-CG2 3.76Å; F409-V436 HydrophobicContact CE1-CG2 3.79Å; F409-V436 HydrophobicContact CG-CG2 4.16Å; F409-V436 HydrophobicContact CZ-CG2 4.22Å; F409-S439 WeakPolarHBondContact CZ-OG 3.46Å; F409-F441 HydrophobicContact CD2-CD2 4.17Å; F409-F441 HydrophobicContact CD2-CE2 4.32Å; F409-F441 AromaticContact CE2-CD2 3.95Å; F409-F441 HydrophobicContact CE2-CD2 3.95Å; F409-F441 HydrophobicContact CE2-CE2 4.09Å
410	D	98.1	Very high	97.8	Very high	46 Å²	46	38.3 Å²	38.3	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-37.5	-178.2	-64.7	-15	0	0	0	112	Q406 E407 K412 E432	Q406-D410 PolarHBondContact NE2-OD2 3.31Å; Q406-D410 VanDerWaalsContact O-CG 3.29Å; Q406-D410 PolarHBondContact O-N 3.33Å; E407-D410 PolarHBondContact O-N 3Å; D410-K412 PolarHBondContact O-N 2.86Å; D410-E432 VanDerWaalsContact OD1-OE1 3.08Å
411	D	97.1	Very high	97.9	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.123	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10.8	-178.6	-70.6	12	0	0	0	112.5	K381 E384 S385 E407 F409	K381-D411 HydrophobicContact CB-CB 4.14Å; K381-D411 HydrophobicContact CD-CB 4.14Å; K381-D411 WeakPolarHBondContact CD-OD2 3.46Å; K381-D411 WeakPolarHBondContact CE-OD2 3.33Å; K381-D411 HydrophobicContact CG-CB 4.32Å; K381-D411 VanDerWaalsContact CG-OD2 3.26Å; K381-D411 WeakPolarHBondContact CG-OD2 3.23Å; K381-D411 IonicContact NZ-OD1 2.64Å; K381-D411 PolarHBondContact NZ-OD1 3.41Å; K381-D411 IonicContact NZ-OD2 3.01Å; K381-D411 PolarHBondContact NZ-OD2 2.91Å; E384-D411 WeakPolarHBondContact OE2-CB 3.48Å; S385-D411 PolarHBondContact OG-O 2.69Å; E407-D411 WeakPolarHBondContact O-CB 3.44Å; E407-D411 PolarHBondContact O-N 3.07Å; F409-D411 VanDerWaalsContact C-N 3.27Å; F409-D411 PolarHBondContact O-N 3.29Å
412	K	97	Very high	97.9	Very high	178 Å²	178	35.5 Å²	35.5	77%	0.774	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	32.7	164	-49.2	-175.9	-180	-173.7	0	114.7	F409 D410	F409-K412 PolarHBondContact O-N 3.09Å; D410-K412 PolarHBondContact O-N 2.86Å
413	A	96.7	Very high	97.9	Very high	11 Å²	11	35.1 Å²	35.1	9%	0.091	20%	0.196	C	C	.	.			trans	-62.8	144.7	168.3	0	0	0	0	0	110.2	S385 I388 V408 L415	S385-A413 WeakPolarHBondContact OG-CA 3.38Å; S385-A413 PolarHBondContact OG-N 3.36Å; I388-A413 HydrophobicContact CG2-CB 3.63Å; V408-A413 HydrophobicContact CG1-CB 3.92Å; V408-A413 VanDerWaalsContact O-CB 3.24Å; V408-A413 WeakPolarHBondContact O-CB 2.79Å; V408-A413 PolarHBondContact O-N 3.49Å; V408-A413 VanDerWaalsContact O-N 3.15Å; A413-L415 HydrophobicContact CB-CD2 4.07Å; A413-L415 PolarHBondContact O-N 3.19Å
414	K	96.7	Very high	97.9	Very high	173 Å²	173	36.8 Å²	36.8	75%	0.752	20%	0.202	S	C	*	.			trans	-77.7	111.2	172	-66.2	-178.3	176.7	-179.3	0	109.4	Q389	Q389-K414 HydrophobicContact CG-CB 4.45Å; Q389-K414 VanDerWaalsContact OE1-CB 3.25Å
415	L	97.4	Very high	97.8	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.099	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-96.1	139.3	177.9	-47.6	-178.2	0	0	0	110.7	L392 V404 V408 F409 A413 T419 V421 F441	L392-L415 HydrophobicContact CD1-CD2 3.64Å; V404-L415 HydrophobicContact CG2-CD1 4.39Å; V408-L415 HydrophobicContact CG1-CD2 3.55Å; F409-L415 HydrophobicContact CB-CD1 4.34Å; F409-L415 HydrophobicContact CD2-CD1 4.34Å; A413-L415 HydrophobicContact CB-CD2 4.07Å; A413-L415 PolarHBondContact O-N 3.19Å; L415-T419 HydrophobicContact CB-CG2 4.32Å; L415-T419 HydrophobicContact CD1-CG2 4.29Å; L415-V421 HydrophobicContact CD1-CG2 3.98Å; L415-F441 HydrophobicContact CB-CD1 4.48Å; L415-F441 HydrophobicContact CB-CE1 3.72Å; L415-F441 HydrophobicContact CB-CZ 3.75Å
416	A	95.9	Very high	97.7	Very high	56 Å²	56	45.1 Å²	45.1	46%	0.463	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-68.6	143.2	172.5	0	0	0	0	0	109.9	G418 T419	A416-G418 PolarHBondContact O-N 2.91Å; A416-T419 WeakPolarHBondContact O-CB 2.94Å; A416-T419 PolarHBondContact O-N 3.42Å; A416-T419 PolarHBondContact O-OG1 3.39Å
417	P	96.4	Very high	97.5	Very high	128 Å²	128	50 Å²	50	83%	0.831	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.5	173	-25.6	34.6	0	0	0	111.4
418	G	95.9	Very high	97.4	Very high	43 Å²	43	51.6 Å²	51.6	44%	0.443	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-9.4	-175.3	0	0	0	0	0	115	A416 I420	A416-G418 PolarHBondContact O-N 2.91Å; G418-I420 PolarHBondContact O-N 2.96Å
419	T	98.6	Very high	97.4	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.043	30%	0.3	C	S	.	.			trans	-59.9	129.5	165.6	-53.3	0	0	0	0	109	L392 V404 L415 A416 P442	L392-T419 HydrophobicContact CD2-CG2 4.34Å; V404-T419 HydrophobicContact CG1-CG2 4.44Å; V404-T419 HydrophobicContact CG2-CG2 4.07Å; L415-T419 HydrophobicContact CB-CG2 4.32Å; L415-T419 HydrophobicContact CD1-CG2 4.29Å; A416-T419 WeakPolarHBondContact O-CB 2.94Å; A416-T419 PolarHBondContact O-N 3.42Å; A416-T419 PolarHBondContact O-OG1 3.39Å; T419-P442 WeakPolarHBondContact O-CD 3.33Å
420	I	98.9	Very high	97.4	Very high	5 Å²	5	54 Å²	54	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.3	178.3	-52.2	176.6	0	0	0	108.1	F348 S402 I403 V404 G418 P442 I444 I482	F348-I420 HydrophobicContact CD1-CD1 3.72Å; F348-I420 HydrophobicContact CD1-CG1 4.36Å; F348-I420 HydrophobicContact CE1-CD1 3.33Å; F348-I420 HydrophobicContact CE1-CG1 3.89Å; F348-I420 HydrophobicContact CE2-CD1 4.35Å; F348-I420 HydrophobicContact CG-CD1 4.38Å; F348-I420 HydrophobicContact CZ-CD1 3.69Å; S402-I420 PolarHBondContact O-N 3.36Å; I403-I420 WeakPolarHBondContact CA-O 3.38Å; I403-I420 HydrophobicContact CB-CB 4.37Å; I403-I420 HydrophobicContact CD1-CB 4.44Å; I403-I420 HydrophobicContact CD1-CD1 4Å; I403-I420 HydrophobicContact CG1-CB 4.03Å; I403-I420 HydrophobicContact CG1-CD1 4.13Å; I403-I420 HydrophobicContact CG1-CG1 4.45Å; I403-I420 HydrophobicContact CG2-CB 4.08Å; I403-I420 HydrophobicContact CG2-CG2 4.15Å; V404-I420 PolarHBondContact N-O 3.48Å; G418-I420 PolarHBondContact O-N 2.96Å; I420-P442 WeakPolarHBondContact CA-O 3.39Å; I420-P442 HydrophobicContact CG1-CB 4.1Å; I420-P442 HydrophobicContact CG1-CG 4.47Å; I420-P442 HydrophobicContact CG2-CB 4.42Å; I420-I444 HydrophobicContact CG2-CD1 3.63Å; I420-I444 HydrophobicContact CG2-CG1 3.76Å; I420-I482 HydrophobicContact CD1-CD1 3.72Å; I420-I482 HydrophobicContact CG1-CD1 4.4Å; I420-I482 HydrophobicContact CG2-CD1 3.99Å
421	V	98.9	Very high	97.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	174.8	-177.8	0	0	0	0	109.1	V404 Q406 F409 L415 V436 F441 P442 V443 I444	V404-V421 HydrophobicContact CG2-CG2 4.25Å; V404-V421 WeakPolarHBondContact O-CA 3.42Å; Q406-V421 HydrophobicContact CB-CG1 4.33Å; F409-V421 HydrophobicContact CB-CG1 4.1Å; F409-V421 HydrophobicContact CB-CG2 4.22Å; L415-V421 HydrophobicContact CD1-CG2 3.98Å; V421-V436 HydrophobicContact CB-CG1 3.79Å; V421-V436 HydrophobicContact CB-CG2 4.33Å; V421-V436 HydrophobicContact CG1-CG1 4.4Å; V421-V436 HydrophobicContact CG1-CG2 4.03Å; V421-V436 HydrophobicContact CG2-CG1 4.02Å; V421-F441 HydrophobicContact CG2-CB 4.36Å; V421-P442 PolarHBondContact N-O 2.91Å; V421-V443 VanDerWaalsContact O-CA 3.3Å; V421-V443 WeakPolarHBondContact O-CA 3.15Å; V421-V443 WeakPolarHBondContact O-CG2 3.28Å; V421-I444 PolarHBondContact O-N 3.29Å
422	E	98.9	Very high	97.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.7	174.5	-168.7	168.6	164.9	0	0	111.2	H235 H350 I403 V404 W405 Q406 I444 S446	H235-E422 IonicContact CE1-OE2 2.9Å; H235-E422 IonicContact ND1-OE2 3.94Å; H350-E422 IonicContact CD2-OE2 3.12Å; H350-E422 IonicContact NE2-OE2 3.66Å; I403-E422 HydrophobicContact CG2-CB 4.38Å; V404-E422 PolarHBondContact O-N 3.35Å; W405-E422 HydrophobicContact CE3-CB 3.76Å; W405-E422 HydrophobicContact CE3-CG 3.8Å; W405-E422 VanDerWaalsContact CH2-CD 3.5Å; W405-E422 HydrophobicContact CH2-CG 4.25Å; W405-E422 WeakPolarHBondContact CH2-OE1 3.29Å; W405-E422 HydrophobicContact CZ3-CB 3.89Å; W405-E422 HydrophobicContact CZ3-CG 3.39Å; W405-E422 WeakPolarHBondContact CZ3-OE1 3.12Å; Q406-E422 PolarHBondContact N-O 2.89Å; E422-I444 WeakPolarHBondContact CA-O 3.43Å; E422-I444 HydrophobicContact CB-CB 4.3Å; E422-I444 HydrophobicContact CG-CB 4.01Å; E422-I444 HydrophobicContact CG-CG2 3.76Å; E422-S446 VanDerWaalsContact OE1-CB 3.26Å; E422-S446 WeakPolarHBondContact OE1-CB 3.42Å; E422-S446 PolarHBondContact OE1-OG 2.71Å
423	V	98.9	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.9	-178.3	176.6	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 4.05Å; V423-E432 HydrophobicContact CG2-CB 4.24Å; V423-E432 HydrophobicContact CG2-CG 3.9Å; V423-L433 HydrophobicContact CB-CD2 4.19Å; V423-L433 HydrophobicContact CG2-CD2 4.02Å; V423-V436 HydrophobicContact CG2-CG2 4.38Å; V423-V443 HydrophobicContact CG2-CG2 3.7Å; V423-I444 PolarHBondContact N-O 3.2Å; V423-L445 HydrophobicContact CB-CD1 4.47Å; V423-L445 HydrophobicContact CG1-CD1 4.37Å; V423-S446 PolarHBondContact O-N 2.78Å; V423-A447 PolarHBondContact O-N 2.88Å
424	W	98.7	Very high	97.7	Very high	35 Å²	35	49.2 Å²	49.2	13%	0.133	29%	0.286	C	S	.	.			trans	-122.7	-21.9	-170.6	79.4	-97.6	0	0	0	113.8	E355 W405 Q406 E407 D426 A447 Y450	E355-W424 HydrophobicContact CG-CH2 4.15Å; E355-W424 HydrophobicContact CG-CZ2 3.85Å; E355-W424 WeakPolarHBondContact OE1-CH2 3.5Å; W405-W424 HydrophobicContact CE3-CB 3.81Å; W405-W424 AromaticContact CE3-CD1 3.58Å; W405-W424 AromaticContact CE3-CG 3.92Å; W405-W424 HydrophobicContact CE3-CG 3.92Å; W405-W424 HydrophobicContact CZ3-CB 3.74Å; W405-W424 HydrophobicContact CZ3-CG 4.28Å; Q406-W424 VanDerWaalsContact OE1-N 3.12Å; E407-W424 VanDerWaalsContact OE1-CZ2 3.29Å; E407-W424 WeakPolarHBondContact OE1-CZ2 3.43Å; E407-W424 PolarHBondContact OE1-NE1 2.83Å; E407-W424 PolarHBondContact OE2-NE1 2.87Å; W424-D426 PolarHBondContact O-N 3.02Å; W424-A447 VanDerWaalsContact C-CB 3.42Å; W424-A447 WeakPolarHBondContact O-CA 3.46Å; W424-A447 VanDerWaalsContact O-CB 3.27Å; W424-A447 WeakPolarHBondContact O-CB 3.26Å; W424-Y450 HydrophobicContact CB-CE1 4.04Å; W424-Y450 WeakPolarHBondContact CB-OH 3.45Å; W424-Y450 HydrophobicContact CE3-CE1 4.43Å; W424-Y450 AromaticContact CE3-CE2 3.77Å; W424-Y450 HydrophobicContact CE3-CE2 3.77Å; W424-Y450 AromaticContact CE3-CZ 3.49Å; W424-Y450 VanDerWaalsContact CE3-CZ 3.49Å; W424-Y450 HydrophobicContact CZ3-CE2 4.09Å
425	K	98	Very high	97.8	Very high	70 Å²	70	46.2 Å²	46.2	30%	0.304	27%	0.27	S	S	.	.			trans	-77.1	122.2	177.7	-64.3	-177.2	178.4	167.7	0	110.1	Q406 E407 S427 Y429	Q406-K425 HydrophobicContact CG-CD 4.42Å; Q406-K425 HydrophobicContact CG-CG 4.39Å; E407-K425 WeakPolarHBondContact OE1-CE 3.3Å; E407-K425 IonicContact OE1-NZ 3.07Å; E407-K425 PolarHBondContact OE1-NZ 2.63Å; E407-K425 IonicContact OE2-NZ 3.94Å; K425-S427 PolarHBondContact O-N 3.43Å; K425-Y429 WeakPolarHBondContact O-CB 3.28Å
426	D	96.3	Very high	97.8	Very high	105 Å²	105	45.3 Å²	45.3	56%	0.561	27%	0.265	S	S	*	.			trans	-67.4	-20.6	-178.4	-163.1	47.3	0	0	0	113.2	W424 A428	W424-D426 PolarHBondContact O-N 3.02Å; D426-A428 PolarHBondContact O-N 2.9Å
427	S	94.6	Very high	98	Very high	106 Å²	106	42.8 Å²	42.8	74%	0.741	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	99.7	179.3	179.9	0	0	0	0	111.9	K425 Y429	K425-S427 PolarHBondContact O-N 3.43Å; S427-Y429 VanDerWaalsContact C-N 3.27Å; S427-Y429 PolarHBondContact O-N 3.33Å
428	A	95.9	Very high	98.1	Very high	44 Å²	44	40 Å²	40	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.8	178.4	0	0	0	0	0	113.8	D426 P430 E431 E432	D426-A428 PolarHBondContact O-N 2.9Å; A428-P430 WeakPolarHBondContact O-CD 3.42Å; A428-P430 VanDerWaalsContact O-N 3.07Å; A428-E431 HydrophobicContact CB-CG 4.36Å; A428-E431 WeakPolarHBondContact O-CB 3.48Å; A428-E431 PolarHBondContact O-N 3.01Å; A428-E432 PolarHBondContact O-N 3.19Å
429	Y	98.3	Very high	98.2	Very high	43 Å²	43	41 Å²	41	17%	0.169	23%	0.233	C	C	.	.	H	α-helix	trans	-50.4	-32.4	178.6	77.5	-101.3	0	0	0	114.8	K425 S427 E431 E432 L433 L445 A447 P448	K425-Y429 WeakPolarHBondContact O-CB 3.28Å; S427-Y429 VanDerWaalsContact C-N 3.27Å; S427-Y429 PolarHBondContact O-N 3.33Å; Y429-E431 VanDerWaalsContact C-N 3.27Å; Y429-E431 PolarHBondContact O-N 2.94Å; Y429-E432 WeakPolarHBondContact O-CB 3.25Å; Y429-E432 PolarHBondContact O-N 3.18Å; Y429-E432 VanDerWaalsContact O-N 3.11Å; Y429-L433 HydrophobicContact CD2-CD1 4.14Å; Y429-L433 HydrophobicContact CE2-CD1 4.44Å; Y429-L433 WeakPolarHBondContact O-CG 3.39Å; Y429-L433 PolarHBondContact O-N 2.91Å; Y429-L445 HydrophobicContact CD2-CD1 3.57Å; Y429-L445 HydrophobicContact CD2-CD2 4.39Å; Y429-L445 HydrophobicContact CE2-CD1 4.07Å; Y429-L445 HydrophobicContact CE2-CD2 4.07Å; Y429-L445 HydrophobicContact CG-CD1 4.14Å; Y429-A447 HydrophobicContact CD1-CB 4.22Å; Y429-A447 HydrophobicContact CG-CB 4.09Å; Y429-P448 HydrophobicContact CE1-CB 4.22Å; Y429-P448 HydrophobicContact CE1-CG 4.34Å
430	P	98.5	Very high	98.2	Very high	43 Å²	43	42.9 Å²	42.9	28%	0.279	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-34.3	175.2	-24	36.1	0	0	0	113	A428 E432 S434 F471	A428-P430 WeakPolarHBondContact O-CD 3.42Å; A428-P430 VanDerWaalsContact O-N 3.07Å; P430-E432 VanDerWaalsContact C-N 3.35Å; P430-S434 PolarHBondContact O-N 3.49Å; P430-S434 VanDerWaalsContact O-N 3.07Å; P430-S434 PolarHBondContact O-OG 3.49Å; P430-F471 HydrophobicContact CB-CB 3.98Å; P430-F471 WeakPolarHBondContact O-CB 3.48Å
431	E	98.5	Very high	98.2	Very high	118 Å²	118	43.9 Å²	43.9	55%	0.551	26%	0.257	S	S	*	.	H	α-helix	trans	-71	-33.1	175.3	-60.7	-178.6	-157.4	0	0	111.6	A428 Y429 S434 R435	A428-E431 HydrophobicContact CB-CG 4.36Å; A428-E431 WeakPolarHBondContact O-CB 3.48Å; A428-E431 PolarHBondContact O-N 3.01Å; Y429-E431 VanDerWaalsContact C-N 3.27Å; Y429-E431 PolarHBondContact O-N 2.94Å; E431-S434 WeakPolarHBondContact O-CB 3.41Å; E431-S434 PolarHBondContact O-N 3.24Å; E431-R435 WeakPolarHBondContact O-CG 3.24Å; E431-R435 PolarHBondContact O-N 3.4Å; E431-R435 IonicContact OE2-NH1 3.36Å
432	E	98.7	Very high	98.2	Very high	9 Å²	9	45 Å²	45	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-46.3	173.4	-154.5	67.8	-94	0	0	111	Q406 D410 V423 A428 Y429 P430 S434 R435 V436	Q406-E432 PolarHBondContact NE2-OE2 2.84Å; D410-E432 VanDerWaalsContact OD1-OE1 3.08Å; V423-E432 HydrophobicContact CG1-CB 3.86Å; V423-E432 HydrophobicContact CG1-CG 4.05Å; V423-E432 HydrophobicContact CG2-CB 4.24Å; V423-E432 HydrophobicContact CG2-CG 3.9Å; A428-E432 PolarHBondContact O-N 3.19Å; Y429-E432 WeakPolarHBondContact O-CB 3.25Å; Y429-E432 PolarHBondContact O-N 3.18Å; Y429-E432 VanDerWaalsContact O-N 3.11Å; P430-E432 VanDerWaalsContact C-N 3.35Å; E432-S434 PolarHBondContact O-N 2.98Å; E432-R435 PolarHBondContact O-N 3.36Å; E432-R435 IonicContact OE1-CZ 3.97Å; E432-R435 IonicContact OE1-NE 3.53Å; E432-R435 PolarHBondContact OE1-NE 2.93Å; E432-R435 IonicContact OE1-NH2 2.69Å; E432-R435 PolarHBondContact OE1-NH2 2.68Å; E432-R435 IonicContact OE2-CZ 3.83Å; E432-R435 IonicContact OE2-NE 3.64Å; E432-R435 IonicContact OE2-NH2 3.97Å; E432-R435 PolarHBondContact OE2-NH2 3.13Å; E432-V436 HydrophobicContact CG-CG2 4.45Å; E432-V436 WeakPolarHBondContact O-CG2 3.4Å; E432-V436 PolarHBondContact O-N 3.06Å
433	L	98.8	Very high	98.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-42.4	173	-64.5	178.3	0	0	0	111.2	V423 Y429 T437 V443 L445 F471 F481	V423-L433 HydrophobicContact CB-CD2 4.19Å; V423-L433 HydrophobicContact CG2-CD2 4.02Å; Y429-L433 HydrophobicContact CD2-CD1 4.14Å; Y429-L433 HydrophobicContact CE2-CD1 4.44Å; Y429-L433 WeakPolarHBondContact O-CG 3.39Å; Y429-L433 PolarHBondContact O-N 2.91Å; L433-T437 WeakPolarHBondContact O-CB 3.43Å; L433-T437 VanDerWaalsContact O-CG2 3.29Å; L433-T437 WeakPolarHBondContact O-CG2 3.3Å; L433-T437 PolarHBondContact O-N 2.93Å; L433-T437 VanDerWaalsContact O-N 3.12Å; L433-T437 PolarHBondContact O-OG1 3.43Å; L433-V443 HydrophobicContact CD2-CB 4.44Å; L433-V443 HydrophobicContact CD2-CG1 4.01Å; L433-V443 HydrophobicContact CD2-CG2 3.53Å; L433-L445 HydrophobicContact CD1-CD1 4.41Å; L433-L445 HydrophobicContact CD1-CD2 4.44Å; L433-L445 HydrophobicContact CD2-CD1 4.43Å; L433-F471 HydrophobicContact CB-CB 4.32Å; L433-F471 HydrophobicContact CB-CD1 3.93Å; L433-F471 HydrophobicContact CB-CD2 4.03Å; L433-F471 HydrophobicContact CB-CE1 4.2Å; L433-F471 HydrophobicContact CB-CE2 4.3Å; L433-F471 HydrophobicContact CB-CG 3.84Å; L433-F471 HydrophobicContact CB-CZ 4.38Å; L433-F471 HydrophobicContact CD1-CD1 3.79Å; L433-F471 HydrophobicContact CD1-CE1 4.24Å; L433-F471 HydrophobicContact CD1-CG 4.34Å; L433-F481 HydrophobicContact CD1-CD2 4.49Å; L433-F481 HydrophobicContact CD1-CE2 4.29Å; L433-F481 HydrophobicContact CD2-CD2 4.27Å; L433-F481 HydrophobicContact CD2-CE2 4.25Å
434	S	98.7	Very high	98.2	Very high	29 Å²	29	45 Å²	45	20%	0.203	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-46.7	173.7	-70.4	0	0	0	0	112.4	P430 E431 E432 T437 A438 G472	P430-S434 PolarHBondContact O-N 3.49Å; P430-S434 VanDerWaalsContact O-N 3.07Å; P430-S434 PolarHBondContact O-OG 3.49Å; E431-S434 WeakPolarHBondContact O-CB 3.41Å; E431-S434 PolarHBondContact O-N 3.24Å; E432-S434 PolarHBondContact O-N 2.98Å; S434-T437 PolarHBondContact O-OG1 3.44Å; S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.43Å; S434-G472 WeakPolarHBondContact CB-O 3.37Å; S434-G472 PolarHBondContact OG-N 3.1Å; S434-G472 PolarHBondContact OG-O 2.63Å
435	R	98.7	Very high	98.2	Very high	109 Å²	109	43.4 Å²	43.4	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-47	-178	-74.8	-170.7	-68.1	-91.9	14.2	113.1	F409 E431 E432 A438 S439	F409-R435 HydrophobicContact CE1-CB 4Å; F409-R435 HydrophobicContact CZ-CB 4.33Å; E431-R435 WeakPolarHBondContact O-CG 3.24Å; E431-R435 PolarHBondContact O-N 3.4Å; E431-R435 IonicContact OE2-NH1 3.36Å; E432-R435 PolarHBondContact O-N 3.36Å; E432-R435 IonicContact OE1-CZ 3.97Å; E432-R435 IonicContact OE1-NE 3.53Å; E432-R435 PolarHBondContact OE1-NE 2.93Å; E432-R435 IonicContact OE1-NH2 2.69Å; E432-R435 PolarHBondContact OE1-NH2 2.68Å; E432-R435 IonicContact OE2-CZ 3.83Å; E432-R435 IonicContact OE2-NE 3.64Å; E432-R435 IonicContact OE2-NH2 3.97Å; E432-R435 PolarHBondContact OE2-NH2 3.13Å; R435-A438 PolarHBondContact O-N 2.79Å; R435-S439 PolarHBondContact O-N 3.13Å; R435-S439 VanDerWaalsContact O-N 3.11Å; R435-S439 PolarHBondContact O-OG 2.72Å
436	V	98.8	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-51	179.8	173	0	0	0	0	110	F409 V421 V423 E432 A438 S439 G440 F441 V443	F409-V436 HydrophobicContact CD1-CG2 3.76Å; F409-V436 HydrophobicContact CE1-CG2 3.79Å; F409-V436 HydrophobicContact CG-CG2 4.16Å; F409-V436 HydrophobicContact CZ-CG2 4.22Å; V421-V436 HydrophobicContact CB-CG1 3.79Å; V421-V436 HydrophobicContact CB-CG2 4.33Å; V421-V436 HydrophobicContact CG1-CG1 4.4Å; V421-V436 HydrophobicContact CG1-CG2 4.03Å; V421-V436 HydrophobicContact CG2-CG1 4.02Å; V423-V436 HydrophobicContact CG2-CG2 4.38Å; E432-V436 HydrophobicContact CG-CG2 4.45Å; E432-V436 WeakPolarHBondContact O-CG2 3.4Å; E432-V436 PolarHBondContact O-N 3.06Å; V436-A438 PolarHBondContact O-N 3.03Å; V436-S439 WeakPolarHBondContact O-CB 3.41Å; V436-S439 PolarHBondContact O-N 3.12Å; V436-S439 VanDerWaalsContact O-N 3.1Å; V436-G440 PolarHBondContact O-N 3.46Å; V436-F441 HydrophobicContact CG1-CB 3.95Å; V436-F441 PolarHBondContact O-N 2.59Å; V436-V443 HydrophobicContact CB-CG2 4.31Å; V436-V443 HydrophobicContact CG1-CB 3.85Å; V436-V443 HydrophobicContact CG1-CG2 3.91Å
437	T	98.7	Very high	98.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-70.7	-31.7	-179.1	60.7	0	0	0	0	112.8	L433 S434 S439 G440 V443 F471 Q477 L480	L433-T437 WeakPolarHBondContact O-CB 3.43Å; L433-T437 VanDerWaalsContact O-CG2 3.29Å; L433-T437 WeakPolarHBondContact O-CG2 3.3Å; L433-T437 PolarHBondContact O-N 2.93Å; L433-T437 VanDerWaalsContact O-N 3.12Å; L433-T437 PolarHBondContact O-OG1 3.43Å; S434-T437 PolarHBondContact O-OG1 3.44Å; T437-S439 PolarHBondContact O-N 3.46Å; T437-G440 PolarHBondContact O-N 3.4Å; T437-G440 VanDerWaalsContact O-N 3.08Å; T437-V443 HydrophobicContact CG2-CB 4.35Å; T437-V443 HydrophobicContact CG2-CG1 3.57Å; T437-F471 HydrophobicContact CG2-CE2 4.43Å; T437-F471 HydrophobicContact CG2-CZ 4.31Å; T437-Q477 WeakPolarHBondContact CG2-O 3.34Å; T437-L480 HydrophobicContact CG2-CB 3.93Å; T437-L480 WeakPolarHBondContact O-CD1 3.33Å
438	A	98.6	Very high	98.6	Very high	69 Å²	69	31 Å²	31	57%	0.57	19%	0.189	S	C	*	.	H	α-helix	trans	-61.4	-30.9	170.7	0	0	0	0	0	112.4	S434 R435 V436 G440 Q477	S434-A438 WeakPolarHBondContact O-CB 3.37Å; S434-A438 PolarHBondContact O-N 3.43Å; R435-A438 PolarHBondContact O-N 2.79Å; V436-A438 PolarHBondContact O-N 3.03Å; A438-G440 PolarHBondContact O-N 2.93Å; A438-Q477 VanDerWaalsContact CA-NE2 3.27Å
439	S	98.5	Very high	98.7	Very high	66 Å²	66	29 Å²	29	46%	0.462	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.4	176.5	-54.5	0	0	0	0	113.3	F409 R435 V436 T437	F409-S439 WeakPolarHBondContact CZ-OG 3.46Å; R435-S439 PolarHBondContact O-N 3.13Å; R435-S439 VanDerWaalsContact O-N 3.11Å; R435-S439 PolarHBondContact O-OG 2.72Å; V436-S439 WeakPolarHBondContact O-CB 3.41Å; V436-S439 PolarHBondContact O-N 3.12Å; V436-S439 VanDerWaalsContact O-N 3.1Å; T437-S439 PolarHBondContact O-N 3.46Å
440	G	98.4	Very high	98.7	Very high	45 Å²	45	28 Å²	28	46%	0.464	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	10.7	174.1	0	0	0	0	0	115.2	V436 T437 A438	V436-G440 PolarHBondContact O-N 3.46Å; T437-G440 PolarHBondContact O-N 3.4Å; T437-G440 VanDerWaalsContact O-N 3.08Å; A438-G440 PolarHBondContact O-N 2.93Å
441	F	98.8	Very high	98.7	Very high	26 Å²	26	26 Å²	26	11%	0.114	16%	0.155	C	C	.	.			trans	-91.2	139.7	179.2	-61.1	-68.1	0	0	0	111.8	F409 L415 V421 V436	F409-F441 HydrophobicContact CD2-CD2 4.17Å; F409-F441 HydrophobicContact CD2-CE2 4.32Å; F409-F441 AromaticContact CE2-CD2 3.95Å; F409-F441 HydrophobicContact CE2-CD2 3.95Å; F409-F441 HydrophobicContact CE2-CE2 4.09Å; L415-F441 HydrophobicContact CB-CD1 4.48Å; L415-F441 HydrophobicContact CB-CE1 3.72Å; L415-F441 HydrophobicContact CB-CZ 3.75Å; V421-F441 HydrophobicContact CG2-CB 4.36Å; V436-F441 HydrophobicContact CG1-CB 3.95Å; V436-F441 PolarHBondContact O-N 2.59Å
442	P	98.8	Very high	98.7	Very high	25 Å²	25	21.6 Å²	21.6	16%	0.162	14%	0.135	C	C	.	.			trans	-58.9	147.4	164.2	-18.6	30.6	0	0	0	111.3	T419 I420 V421 L480 I482	T419-P442 WeakPolarHBondContact O-CD 3.33Å; I420-P442 WeakPolarHBondContact CA-O 3.39Å; I420-P442 HydrophobicContact CG1-CB 4.1Å; I420-P442 HydrophobicContact CG1-CG 4.47Å; I420-P442 HydrophobicContact CG2-CB 4.42Å; V421-P442 PolarHBondContact N-O 2.91Å; P442-L480 CarbonylContact C-O 3.28Å; P442-L480 VanDerWaalsContact CA-O 3.23Å; P442-L480 WeakPolarHBondContact CA-O 3.43Å; P442-L480 HydrophobicContact CG-CD2 4.49Å; P442-I482 HydrophobicContact CB-CG2 4.31Å
443	V	98.9	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140	-175.3	70.1	0	0	0	0	112.4	V421 V423 L433 V436 T437 L480 F481 I482	V421-V443 VanDerWaalsContact O-CA 3.3Å; V421-V443 WeakPolarHBondContact O-CA 3.15Å; V421-V443 WeakPolarHBondContact O-CG2 3.28Å; V423-V443 HydrophobicContact CG2-CG2 3.7Å; L433-V443 HydrophobicContact CD2-CB 4.44Å; L433-V443 HydrophobicContact CD2-CG1 4.01Å; L433-V443 HydrophobicContact CD2-CG2 3.53Å; V436-V443 HydrophobicContact CB-CG2 4.31Å; V436-V443 HydrophobicContact CG1-CB 3.85Å; V436-V443 HydrophobicContact CG1-CG2 3.91Å; T437-V443 HydrophobicContact CG2-CB 4.35Å; T437-V443 HydrophobicContact CG2-CG1 3.57Å; V443-L480 PolarHBondContact N-O 2.89Å; V443-F481 HydrophobicContact CG1-CB 4.11Å; V443-F481 HydrophobicContact CG1-CD2 3.89Å; V443-F481 HydrophobicContact CG1-CG 4.37Å; V443-I482 WeakPolarHBondContact O-CG1 3.47Å; V443-I482 PolarHBondContact O-N 2.78Å; V443-I482 VanDerWaalsContact O-N 3.09Å
444	I	98.9	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.3	170.7	-67.6	167.7	0	0	0	107.9	H202 I403 I420 V421 E422 V423 I482 E485	H202-I444 WeakPolarHBondContact NE2-CD1 3.48Å; I403-I444 HydrophobicContact CD1-CD1 4Å; I403-I444 HydrophobicContact CG2-CD1 4.33Å; I420-I444 HydrophobicContact CG2-CD1 3.63Å; I420-I444 HydrophobicContact CG2-CG1 3.76Å; V421-I444 PolarHBondContact O-N 3.29Å; E422-I444 WeakPolarHBondContact CA-O 3.43Å; E422-I444 HydrophobicContact CB-CB 4.3Å; E422-I444 HydrophobicContact CG-CB 4.01Å; E422-I444 HydrophobicContact CG-CG2 3.76Å; V423-I444 PolarHBondContact N-O 3.2Å; I444-I482 HydrophobicContact CD1-CD1 4.19Å; I444-I482 HydrophobicContact CG1-CD1 3.88Å; I444-I482 HydrophobicContact CG1-CG1 3.82Å; I444-E485 HydrophobicContact CG2-CG 3.77Å
445	L	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.6	175.4	176.8	68.8	0	0	0	111.4	V423 Y429 L433 A447 P448 W449 V466 P468 F481 G483 G484 E485	V423-L445 HydrophobicContact CB-CD1 4.47Å; V423-L445 HydrophobicContact CG1-CD1 4.37Å; Y429-L445 HydrophobicContact CD2-CD1 3.57Å; Y429-L445 HydrophobicContact CD2-CD2 4.39Å; Y429-L445 HydrophobicContact CE2-CD1 4.07Å; Y429-L445 HydrophobicContact CE2-CD2 4.07Å; Y429-L445 HydrophobicContact CG-CD1 4.14Å; L433-L445 HydrophobicContact CD1-CD1 4.41Å; L433-L445 HydrophobicContact CD1-CD2 4.44Å; L433-L445 HydrophobicContact CD2-CD1 4.43Å; L445-A447 HydrophobicContact CD1-CB 4.01Å; L445-P448 HydrophobicContact CD2-CG 4.12Å; L445-P448 HydrophobicContact CG-CG 4.33Å; L445-W449 HydrophobicContact CB-CZ3 4.31Å; L445-W449 HydrophobicContact CD2-CH2 4.26Å; L445-W449 HydrophobicContact CD2-CZ3 4.13Å; L445-W449 HydrophobicContact CG-CZ3 4.17Å; L445-W449 VanDerWaalsContact O-CZ3 3.32Å; L445-W449 WeakPolarHBondContact O-CZ3 3.46Å; L445-V466 HydrophobicContact CD2-CG1 4.39Å; L445-P468 HydrophobicContact CD2-CB 4.05Å; L445-F481 HydrophobicContact CB-CE2 3.65Å; L445-F481 HydrophobicContact CB-CZ 3.84Å; L445-F481 HydrophobicContact CD2-CE2 4.33Å; L445-F481 HydrophobicContact CD2-CZ 4.45Å; L445-G483 PolarHBondContact N-O 3.35Å; L445-G483 VanDerWaalsContact N-O 3.12Å; L445-G484 CarbonylContact O-C 3.44Å; L445-G484 WeakPolarHBondContact O-CA 3.47Å; L445-E485 PolarHBondContact O-N 2.91Å
446	S	98.8	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.213	C	C	.	.			trans	-129.1	-14.8	168.8	48	0	0	0	0	113.5	E422 V423 W449 Y450 E485 C487	E422-S446 VanDerWaalsContact OE1-CB 3.26Å; E422-S446 WeakPolarHBondContact OE1-CB 3.42Å; E422-S446 PolarHBondContact OE1-OG 2.71Å; V423-S446 PolarHBondContact O-N 2.78Å; S446-W449 CarbonylContact O-C 3.44Å; S446-W449 WeakPolarHBondContact O-CA 3.42Å; S446-W449 PolarHBondContact O-N 2.89Å; S446-Y450 WeakPolarHBondContact O-CD1 3.34Å; S446-E485 WeakPolarHBondContact CA-O 3.41Å; S446-C487 WeakPolarHBondContact CB-SG 3.43Å
447	A	98.7	Very high	98.5	Very high	6 Å²	6	38.9 Å²	38.9	5%	0.05	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-46	-51.7	-173.1	0	0	0	0	0	116.7	V423 W424 Y429 L445 W449	V423-A447 PolarHBondContact O-N 2.88Å; W424-A447 VanDerWaalsContact C-CB 3.42Å; W424-A447 WeakPolarHBondContact O-CA 3.46Å; W424-A447 VanDerWaalsContact O-CB 3.27Å; W424-A447 WeakPolarHBondContact O-CB 3.26Å; Y429-A447 HydrophobicContact CD1-CB 4.22Å; Y429-A447 HydrophobicContact CG-CB 4.09Å; L445-A447 HydrophobicContact CD1-CB 4.01Å; A447-W449 PolarHBondContact O-N 3.15Å
448	P	98.6	Very high	98.4	Very high	16 Å²	16	41.1 Å²	41.1	10%	0.104	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-80.4	0.4	179.9	34.8	-38	0	0	0	113.5	Y429 L445 Y463 V466	Y429-P448 HydrophobicContact CE1-CB 4.22Å; Y429-P448 HydrophobicContact CE1-CG 4.34Å; L445-P448 HydrophobicContact CD2-CG 4.12Å; L445-P448 HydrophobicContact CG-CG 4.33Å; P448-Y463 WeakPolarHBondContact O-CD1 3.44Å; P448-Y463 WeakPolarHBondContact O-CE1 3.37Å; P448-V466 HydrophobicContact CB-CG1 4.5Å; P448-V466 HydrophobicContact CB-CG2 3.68Å; P448-V466 HydrophobicContact CG-CB 4.44Å; P448-V466 HydrophobicContact CG-CG1 3.79Å; P448-V466 HydrophobicContact CG-CG2 3.81Å
449	W	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-120.8	34.1	-172.5	-59.3	-41.9	0	0	0	113	L445 S446 A447 L451 Y463 V466 P468 C487 V509 R512 L513	L445-W449 HydrophobicContact CB-CZ3 4.31Å; L445-W449 HydrophobicContact CD2-CH2 4.26Å; L445-W449 HydrophobicContact CD2-CZ3 4.13Å; L445-W449 HydrophobicContact CG-CZ3 4.17Å; L445-W449 VanDerWaalsContact O-CZ3 3.32Å; L445-W449 WeakPolarHBondContact O-CZ3 3.46Å; S446-W449 CarbonylContact O-C 3.44Å; S446-W449 WeakPolarHBondContact O-CA 3.42Å; S446-W449 PolarHBondContact O-N 2.89Å; A447-W449 PolarHBondContact O-N 3.15Å; W449-L451 HydrophobicContact CB-CD1 4.41Å; W449-L451 WeakPolarHBondContact O-CD1 3.26Å; W449-L451 PolarHBondContact O-N 3.34Å; W449-Y463 AromaticContact CD1-CD1 3.88Å; W449-Y463 PolarHBondContact NE1-O 3.36Å; W449-V466 HydrophobicContact CH2-CG1 4.35Å; W449-V466 HydrophobicContact CZ2-CB 3.88Å; W449-V466 HydrophobicContact CZ2-CG1 3.67Å; W449-P468 HydrophobicContact CH2-CG 3.69Å; W449-P468 HydrophobicContact CZ2-CG 4.21Å; W449-C487 PolarHBondContact O-N 2.85Å; W449-V509 HydrophobicContact CB-CG2 4.09Å; W449-V509 VanDerWaalsContact CD1-CG2 3.47Å; W449-V509 HydrophobicContact CD2-CG1 3.66Å; W449-V509 HydrophobicContact CD2-CG2 4.1Å; W449-V509 HydrophobicContact CE3-CG1 3.86Å; W449-V509 HydrophobicContact CG-CB 4.49Å; W449-V509 HydrophobicContact CG-CG1 4.04Å; W449-V509 HydrophobicContact CG-CG2 3.63Å; W449-V509 HydrophobicContact CH2-CG1 4.43Å; W449-V509 HydrophobicContact CZ2-CG1 4.27Å; W449-V509 HydrophobicContact CZ3-CG1 4.26Å; W449-R512 HydrophobicContact CZ2-CG 4.06Å; W449-L513 HydrophobicContact CH2-CD2 3.68Å; W449-L513 HydrophobicContact CH2-CG 4.26Å; W449-L513 HydrophobicContact CZ3-CD2 4.02Å
450	Y	98.6	Very high	98.4	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.094	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-74.7	105	164	-85.3	36.5	0	0	0	109	W424 S446 L453 Y463 C487 W489	W424-Y450 HydrophobicContact CB-CE1 4.04Å; W424-Y450 WeakPolarHBondContact CB-OH 3.45Å; W424-Y450 HydrophobicContact CE3-CE1 4.43Å; W424-Y450 AromaticContact CE3-CE2 3.77Å; W424-Y450 HydrophobicContact CE3-CE2 3.77Å; W424-Y450 AromaticContact CE3-CZ 3.49Å; W424-Y450 VanDerWaalsContact CE3-CZ 3.49Å; W424-Y450 HydrophobicContact CZ3-CE2 4.09Å; S446-Y450 WeakPolarHBondContact O-CD1 3.34Å; Y450-L453 HydrophobicContact CD2-CD1 4.36Å; Y450-Y463 PolarHBondContact O-OH 2.93Å; Y450-Y463 VanDerWaalsContact O-OH 3.08Å; Y450-C487 HydrophobicContact CD1-CB 4.02Å; Y450-C487 HydrophobicContact CE1-CB 4.02Å; Y450-W489 AromaticContact CD2-CD1 3.89Å; Y450-W489 AromaticContact CD2-NE1 3.77Å; Y450-W489 AromaticContact CE1-NE1 3.97Å; Y450-W489 AromaticContact CE2-CD1 3.67Å; Y450-W489 AromaticContact CE2-NE1 3.13Å; Y450-W489 AromaticContact CZ-NE1 3.21Å; Y450-W489 PolarHBondContact OH-NE1 3.15Å
451	L	98.7	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-88.9	-21.3	-176.2	-93.3	64.1	0	0	0	111.8	W449 L453 Y463 A486 C487 L488 L502 R505 A506	W449-L451 HydrophobicContact CB-CD1 4.41Å; W449-L451 WeakPolarHBondContact O-CD1 3.26Å; W449-L451 PolarHBondContact O-N 3.34Å; L451-L453 PolarHBondContact O-N 2.78Å; L451-Y463 HydrophobicContact CD1-CD1 4.47Å; L451-Y463 HydrophobicContact CD1-CD2 4.14Å; L451-Y463 HydrophobicContact CD1-CE1 4.15Å; L451-Y463 HydrophobicContact CD1-CE2 3.87Å; L451-Y463 HydrophobicContact CD1-CG 4.46Å; L451-Y463 HydrophobicContact CG-CE2 4.04Å; L451-A486 HydrophobicContact CD1-CB 4.08Å; L451-A486 HydrophobicContact CD2-CB 4.27Å; L451-C487 WeakPolarHBondContact CB-O 3.4Å; L451-C487 PolarHBondContact N-O 3.26Å; L451-L488 HydrophobicContact CB-CD1 4.19Å; L451-L502 HydrophobicContact CD2-CD1 3.96Å; L451-R505 HydrophobicContact CD2-CB 3.93Å; L451-R505 HydrophobicContact CG-CB 4.3Å; L451-R505 VanDerWaalsContact O-CZ 3.26Å; L451-R505 PolarHBondContact O-NH1 3.35Å; L451-R505 PolarHBondContact O-NH2 3.44Å; L451-A506 HydrophobicContact CD2-CB 3.77Å
452	D	98.4	Very high	98.4	Very high	25 Å²	25	40.2 Å²	40.2	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	-56.8	-35.2	168.3	62.7	-65.2	0	0	0	111.7	I454 L488 W489	D452-I454 VanDerWaalsContact C-N 3.27Å; D452-I454 PolarHBondContact O-N 2.89Å; D452-L488 HydrophobicContact CB-CD1 4.31Å; D452-W489 HydrophobicContact CB-CB 4.09Å
453	L	98.2	Very high	98.4	Very high	105 Å²	105	39 Å²	39	55%	0.55	20%	0.198	S	C	.	.	S	Bend	trans	-73.2	72.3	174.3	-56.5	-175.6	0	0	0	112.3	Y450 L451	Y450-L453 HydrophobicContact CD2-CD1 4.36Å; L451-L453 PolarHBondContact O-N 2.78Å
454	I	97.8	Very high	98.4	Very high	101 Å²	101	39 Å²	39	52%	0.518	20%	0.198	S	C	.	.			trans	-66.1	148.5	177.2	65.1	172.1	0	0	0	112	D452 R501	D452-I454 VanDerWaalsContact C-N 3.27Å; D452-I454 PolarHBondContact O-N 2.89Å; I454-R501 HydrophobicContact CG2-CG 4.06Å
455	S	97.6	Very high	98.4	Very high	66 Å²	66	44.5 Å²	44.5	46%	0.462	22%	0.222	S	C	.	.			trans	-142.2	155.9	172.2	57.9	0	0	0	0	110.4	D459	S455-D459 WeakPolarHBondContact OG-CB 3.39Å
456	Y	97.6	Very high	98.4	Very high	197 Å²	197	45.2 Å²	45.2	77%	0.773	23%	0.226	S	C	*	.	S	Bend	trans	-67.5	136.3	179	178.7	-104.6	0	0	0	111.2	Q38	Q38-Y456 PolarHBondContact NE2-OH 3.24Å
457	G	97	Very high	98.4	Very high	43 Å²	43	45.7 Å²	45.7	44%	0.443	23%	0.228	S	C	.	.	S	Bend	trans	100.1	-156.6	175.5	0	0	0	0	0	114.1	D459	G457-D459 VanDerWaalsContact C-N 3.31Å; G457-D459 PolarHBondContact O-N 2.66Å; G457-D459 VanDerWaalsContact O-N 3.12Å
458	Q	97.8	Very high	98.3	Very high	50 Å²	50	45.5 Å²	45.5	23%	0.234	23%	0.226	C	C	.	.			trans	-88.6	58.8	-172.9	-65.8	-179.2	70	0	0	112.1	W460 R461	Q458-W460 PolarHBondContact O-N 2.76Å; Q458-W460 VanDerWaalsContact O-N 3.15Å; Q458-R461 HydrophobicContact CB-CG 4.14Å; Q458-R461 WeakPolarHBondContact O-CB 3.39Å; Q458-R461 PolarHBondContact O-N 2.8Å
459	D	98.5	Very high	98.3	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.8	-179.5	69.5	-17.6	0	0	0	113.6	S455 G457 R461 K462 Y463 R505	S455-D459 WeakPolarHBondContact OG-CB 3.39Å; G457-D459 VanDerWaalsContact C-N 3.31Å; G457-D459 PolarHBondContact O-N 2.66Å; G457-D459 VanDerWaalsContact O-N 3.12Å; D459-R461 PolarHBondContact O-N 3.32Å; D459-K462 WeakPolarHBondContact O-CA 3.48Å; D459-K462 WeakPolarHBondContact O-CB 3.32Å; D459-K462 PolarHBondContact O-N 2.73Å; D459-Y463 HydrophobicContact CB-CE2 4.38Å; D459-Y463 PolarHBondContact O-N 2.92Å; D459-R505 VanDerWaalsContact CG-CD 3.47Å; D459-R505 WeakPolarHBondContact OD1-CD 3.34Å; D459-R505 WeakPolarHBondContact OD2-CD 3.21Å; D459-R505 IonicContact OD2-CZ 3.62Å; D459-R505 IonicContact OD2-NE 3.26Å; D459-R505 IonicContact OD2-NH1 2.72Å; D459-R505 PolarHBondContact OD2-NH1 2.6Å
460	W	98.6	Very high	98.3	Very high	6 Å²	6	50.8 Å²	50.8	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-50.7	-32.8	170.8	80	-94.4	0	0	0	112.9	Q458 K462 Y463 Y464 A508 M522 A525 Y526 L529 L546	Q458-W460 PolarHBondContact O-N 2.76Å; Q458-W460 VanDerWaalsContact O-N 3.15Å; W460-K462 VanDerWaalsContact C-N 3.33Å; W460-K462 PolarHBondContact O-N 2.9Å; W460-Y463 PolarHBondContact O-N 2.87Å; W460-Y464 HydrophobicContact CZ3-CD2 4.43Å; W460-Y464 HydrophobicContact CZ3-CG 4.13Å; W460-Y464 WeakPolarHBondContact O-CB 3.31Å; W460-Y464 PolarHBondContact O-N 3.28Å; W460-A508 HydrophobicContact CB-CB 4.36Å; W460-A508 HydrophobicContact CE3-CB 4.25Å; W460-A508 WeakPolarHBondContact O-CB 3.49Å; W460-M522 HydrophobicContact CH2-CE 3.7Å; W460-M522 HydrophobicContact CZ2-CE 4.34Å; W460-M522 HydrophobicContact CZ3-CE 3.94Å; W460-A525 HydrophobicContact CH2-CB 4.16Å; W460-A525 HydrophobicContact CZ3-CB 4.24Å; W460-Y526 AromaticContact CZ2-CD2 3.93Å; W460-Y526 HydrophobicContact CZ2-CD2 3.93Å; W460-L529 HydrophobicContact CD2-CD2 3.99Å; W460-L529 HydrophobicContact CE3-CD2 3.71Å; W460-L529 HydrophobicContact CZ3-CD2 4.05Å; W460-L546 HydrophobicContact CD2-CD2 4.42Å; W460-L546 HydrophobicContact CZ2-CD2 4.23Å
461	R	98.7	Very high	98.3	Very high	51 Å²	51	50.4 Å²	50.4	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-32.9	177.6	-60.8	-173.6	178.5	-93.4	3	112	Q458 D459 K465 M522 Y526	Q458-R461 HydrophobicContact CB-CG 4.14Å; Q458-R461 WeakPolarHBondContact O-CB 3.39Å; Q458-R461 PolarHBondContact O-N 2.8Å; D459-R461 PolarHBondContact O-N 3.32Å; R461-K465 WeakPolarHBondContact O-CB 3.32Å; R461-K465 VanDerWaalsContact O-CG 3.23Å; R461-K465 WeakPolarHBondContact O-CG 3.46Å; R461-K465 PolarHBondContact O-N 3.07Å; R461-K465 VanDerWaalsContact O-N 3.11Å; R461-M522 HydrophobicContact CB-CE 3.66Å; R461-M522 HydrophobicContact CG-CE 3.48Å; R461-M522 VanDerWaalsContact CG-CE 3.48Å; R461-M522 PolarHBondContact NH1-O 3.07Å; R461-Y526 VanDerWaalsContact NH2-CD2 3.32Å
462	K	98.5	Very high	98.3	Very high	112 Å²	112	52.9 Å²	52.9	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-51.5	173.9	-179.7	-173.9	66.6	174.6	0	109.1	D459 W460 Y464 K465	D459-K462 WeakPolarHBondContact O-CA 3.48Å; D459-K462 WeakPolarHBondContact O-CB 3.32Å; D459-K462 PolarHBondContact O-N 2.73Å; W460-K462 VanDerWaalsContact C-N 3.33Å; W460-K462 PolarHBondContact O-N 2.9Å; K462-Y464 PolarHBondContact O-N 3.44Å; K462-K465 PolarHBondContact O-N 3Å
463	Y	98.7	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-43.4	179.2	-54.1	-41	0	0	0	112.2	P448 W449 Y450 L451 D459 W460 K465 R505	P448-Y463 WeakPolarHBondContact O-CD1 3.44Å; P448-Y463 WeakPolarHBondContact O-CE1 3.37Å; W449-Y463 AromaticContact CD1-CD1 3.88Å; W449-Y463 PolarHBondContact NE1-O 3.36Å; Y450-Y463 PolarHBondContact O-OH 2.93Å; Y450-Y463 VanDerWaalsContact O-OH 3.08Å; L451-Y463 HydrophobicContact CD1-CD1 4.47Å; L451-Y463 HydrophobicContact CD1-CD2 4.14Å; L451-Y463 HydrophobicContact CD1-CE1 4.15Å; L451-Y463 HydrophobicContact CD1-CE2 3.87Å; L451-Y463 HydrophobicContact CD1-CG 4.46Å; L451-Y463 HydrophobicContact CG-CE2 4.04Å; D459-Y463 HydrophobicContact CB-CE2 4.38Å; D459-Y463 PolarHBondContact O-N 2.92Å; W460-Y463 PolarHBondContact O-N 2.87Å; Y463-K465 PolarHBondContact O-N 2.98Å; Y463-R505 HydrophobicContact CD2-CB 4.31Å; Y463-R505 HydrophobicContact CE2-CB 4.2Å; Y463-R505 PolarHBondContact OH-NH1 2.94Å
464	Y	98.8	Very high	98.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-36.3	179.6	-169.1	-102	0	0	0	113.3	W57 W460 K462 V466 A508 E511 R512 V519 M522 A525	W57-Y464 HydrophobicContact CH2-CD2 4.09Å; W57-Y464 AromaticContact CH2-CE2 3.74Å; W57-Y464 HydrophobicContact CH2-CE2 3.74Å; W57-Y464 HydrophobicContact CZ2-CE2 4.33Å; W460-Y464 HydrophobicContact CZ3-CD2 4.43Å; W460-Y464 HydrophobicContact CZ3-CG 4.13Å; W460-Y464 WeakPolarHBondContact O-CB 3.31Å; W460-Y464 PolarHBondContact O-N 3.28Å; K462-Y464 PolarHBondContact O-N 3.44Å; Y464-V466 VanDerWaalsContact C-N 3.3Å; Y464-V466 PolarHBondContact O-N 3.17Å; Y464-A508 HydrophobicContact CD2-CB 4.33Å; Y464-E511 HydrophobicContact CE2-CB 4.01Å; Y464-E511 HydrophobicContact CE2-CG 3.78Å; Y464-E511 WeakPolarHBondContact CE2-OE1 3.47Å; Y464-E511 VanDerWaalsContact CZ-OE1 3.29Å; Y464-E511 PolarHBondContact OH-OE1 3.42Å; Y464-R512 VanDerWaalsContact O-CZ 3.26Å; Y464-R512 PolarHBondContact O-NE 2.65Å; Y464-R512 PolarHBondContact O-NH2 2.97Å; Y464-V519 PolarHBondContact OH-O 2.94Å; Y464-M522 HydrophobicContact CD1-CE 4.21Å; Y464-M522 HydrophobicContact CD1-SD 3.71Å; Y464-M522 HydrophobicContact CE1-SD 4.22Å; Y464-A525 HydrophobicContact CD1-CB 4.49Å; Y464-A525 HydrophobicContact CE1-CB 3.81Å; Y464-A525 HydrophobicContact CE2-CB 4.24Å
465	K	98.7	Very high	98.3	Very high	115 Å²	115	55 Å²	55	50%	0.5	30%	0.297	S	S	.	.	H	α-helix	trans	-73.1	-19.5	-175.6	-81.8	173.4	-179.3	168.8	0	113.9	R461 K462 Y463 E467 R520 M522	R461-K465 WeakPolarHBondContact O-CB 3.32Å; R461-K465 VanDerWaalsContact O-CG 3.23Å; R461-K465 WeakPolarHBondContact O-CG 3.46Å; R461-K465 PolarHBondContact O-N 3.07Å; R461-K465 VanDerWaalsContact O-N 3.11Å; K462-K465 PolarHBondContact O-N 3Å; Y463-K465 PolarHBondContact O-N 2.98Å; K465-E467 PolarHBondContact O-N 2.97Å; K465-R520 PolarHBondContact O-NH2 2.61Å; K465-M522 HydrophobicContact CD-SD 4.48Å; K465-M522 HydrophobicContact CG-SD 3.96Å
466	V	98.6	Very high	98.3	Very high	15 Å²	15	59.6 Å²	59.6	9%	0.091	31%	0.309	C	S	.	.			trans	-54.1	128.5	177.1	177.9	0	0	0	0	109.5	L445 P448 W449 Y464 P468 R512	L445-V466 HydrophobicContact CD2-CG1 4.39Å; P448-V466 HydrophobicContact CB-CG1 4.5Å; P448-V466 HydrophobicContact CB-CG2 3.68Å; P448-V466 HydrophobicContact CG-CB 4.44Å; P448-V466 HydrophobicContact CG-CG1 3.79Å; P448-V466 HydrophobicContact CG-CG2 3.81Å; W449-V466 HydrophobicContact CH2-CG1 4.35Å; W449-V466 HydrophobicContact CZ2-CB 3.88Å; W449-V466 HydrophobicContact CZ2-CG1 3.67Å; Y464-V466 VanDerWaalsContact C-N 3.3Å; Y464-V466 PolarHBondContact O-N 3.17Å; V466-P468 HydrophobicContact CG1-CG 4.45Å; V466-R512 WeakPolarHBondContact O-CD 3.26Å; V466-R512 VanDerWaalsContact O-CG 3.28Å; V466-R512 WeakPolarHBondContact O-CG 3.43Å; V466-R512 PolarHBondContact O-NE 2.79Å
467	E	98.6	Very high	98.3	Very high	10 Å²	10	52 Å²	52	5%	0.047	28%	0.281	C	S	.	.			trans	-112.3	106.1	168.3	169.5	45.5	-135.2	0	0	108.4	R199 K465 L469 D470 K517	R199-E467 IonicContact CZ-OE1 3.13Å; R199-E467 IonicContact CZ-OE2 3.68Å; R199-E467 IonicContact NH1-OE1 2.68Å; R199-E467 IonicContact NH1-OE2 2.79Å; R199-E467 PolarHBondContact NH1-OE2 3.21Å; R199-E467 IonicContact NH2-OE1 2.72Å; R199-E467 PolarHBondContact NH2-OE1 2.98Å; R199-E467 IonicContact NH2-OE2 3.88Å; R199-E467 PolarHBondContact NH2-OE2 2.81Å; K465-E467 PolarHBondContact O-N 2.97Å; E467-L469 PolarHBondContact O-N 2.73Å; E467-L469 VanDerWaalsContact O-N 3.16Å; E467-L469 WeakPolarHBondContact OE1-CB 3.44Å; E467-L469 PolarHBondContact OE1-N 2.95Å; E467-L469 VanDerWaalsContact OE1-N 3.12Å; E467-D470 HydrophobicContact CB-CB 4.36Å; E467-D470 WeakPolarHBondContact CB-OD2 3.21Å; E467-D470 HydrophobicContact CG-CB 4.13Å; E467-D470 VanDerWaalsContact CG-OD1 3.27Å; E467-D470 WeakPolarHBondContact CG-OD1 3.5Å; E467-D470 WeakPolarHBondContact CG-OD2 3.41Å; E467-D470 PolarHBondContact O-N 3.12Å; E467-D470 VanDerWaalsContact O-N 3.16Å; E467-K517 WeakPolarHBondContact OE2-CG 3.18Å
468	P	98.2	Very high	98.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.013	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.4	-166.6	-21.7	33.3	0	0	0	114.9	F200 L445 W449 V466 F471 F481 R512	F200-P468 HydrophobicContact CE2-CG 4.41Å; L445-P468 HydrophobicContact CD2-CB 4.05Å; W449-P468 HydrophobicContact CH2-CG 3.69Å; W449-P468 HydrophobicContact CZ2-CG 4.21Å; V466-P468 HydrophobicContact CG1-CG 4.45Å; P468-F471 WeakPolarHBondContact O-CD1 3.41Å; P468-F481 HydrophobicContact CB-CE1 3.68Å; P468-F481 HydrophobicContact CB-CE2 3.71Å; P468-F481 HydrophobicContact CB-CZ 3.2Å; P468-F481 HydrophobicContact CG-CE1 4.44Å; P468-F481 HydrophobicContact CG-CZ 4.14Å; P468-R512 HydrophobicContact CG-CG 4.36Å
469	L	98.5	Very high	98.4	Very high	32 Å²	32	57.2 Å²	57.2	17%	0.168	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	7.1	179.3	-55.2	-174.9	0	0	0	113.6	F200 E467 F471 K478 F481	F200-L469 HydrophobicContact CE1-CD1 4.15Å; F200-L469 HydrophobicContact CE1-CD2 4.1Å; F200-L469 HydrophobicContact CE1-CG 4.25Å; F200-L469 HydrophobicContact CZ-CD1 4.05Å; F200-L469 HydrophobicContact CZ-CD2 4.17Å; F200-L469 HydrophobicContact CZ-CG 3.93Å; E467-L469 PolarHBondContact O-N 2.73Å; E467-L469 VanDerWaalsContact O-N 3.16Å; E467-L469 WeakPolarHBondContact OE1-CB 3.44Å; E467-L469 PolarHBondContact OE1-N 2.95Å; E467-L469 VanDerWaalsContact OE1-N 3.12Å; L469-F471 HydrophobicContact CD2-CE1 4.09Å; L469-F471 PolarHBondContact O-N 2.79Å; L469-K478 HydrophobicContact CB-CD 4.42Å; L469-K478 WeakPolarHBondContact O-CE 3.36Å; L469-K478 PolarHBondContact O-NZ 3.06Å; L469-F481 HydrophobicContact CD2-CB 3.7Å; L469-F481 HydrophobicContact CD2-CD1 3.8Å; L469-F481 HydrophobicContact CD2-CD2 4.28Å; L469-F481 HydrophobicContact CD2-CG 3.66Å
470	D	98.1	Very high	98.4	Very high	96 Å²	96	58.3 Å²	58.3	51%	0.513	30%	0.298	S	S	.	.			trans	-80.7	55.3	174.1	-73.9	-5.5	0	0	0	110.9	E467 K517	E467-D470 HydrophobicContact CB-CB 4.36Å; E467-D470 WeakPolarHBondContact CB-OD2 3.21Å; E467-D470 HydrophobicContact CG-CB 4.13Å; E467-D470 VanDerWaalsContact CG-OD1 3.27Å; E467-D470 WeakPolarHBondContact CG-OD1 3.5Å; E467-D470 WeakPolarHBondContact CG-OD2 3.41Å; E467-D470 PolarHBondContact O-N 3.12Å; E467-D470 VanDerWaalsContact O-N 3.16Å; D470-K517 IonicContact OD1-NZ 3.67Å; D470-K517 PolarHBondContact OD1-NZ 3.5Å
471	F	98.4	Very high	98.4	Very high	15 Å²	15	58.4 Å²	58.4	7%	0.066	30%	0.299	C	S	.	.	S	Bend	trans	-128.7	163.4	170	68.6	-89.5	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 3.48Å; L433-F471 HydrophobicContact CB-CB 4.32Å; L433-F471 HydrophobicContact CB-CD1 3.93Å; L433-F471 HydrophobicContact CB-CD2 4.03Å; L433-F471 HydrophobicContact CB-CE1 4.2Å; L433-F471 HydrophobicContact CB-CE2 4.3Å; L433-F471 HydrophobicContact CB-CG 3.84Å; L433-F471 HydrophobicContact CB-CZ 4.38Å; L433-F471 HydrophobicContact CD1-CD1 3.79Å; L433-F471 HydrophobicContact CD1-CE1 4.24Å; L433-F471 HydrophobicContact CD1-CG 4.34Å; T437-F471 HydrophobicContact CG2-CE2 4.43Å; T437-F471 HydrophobicContact CG2-CZ 4.31Å; P468-F471 WeakPolarHBondContact O-CD1 3.41Å; L469-F471 HydrophobicContact CD2-CE1 4.09Å; L469-F471 PolarHBondContact O-N 2.79Å; F471-G473 PolarHBondContact O-N 3.11Å; F471-K478 HydrophobicContact CE1-CG 4.39Å; F471-K478 HydrophobicContact CE2-CG 4.34Å; F471-K478 HydrophobicContact CZ-CG 3.93Å; F471-K478 WeakPolarHBondContact O-CE 3.47Å; F471-K478 PolarHBondContact O-NZ 3.23Å; F471-F481 HydrophobicContact CE1-CD2 4.4Å
472	G	98.2	Very high	98.4	Very high	53 Å²	53	57.3 Å²	57.3	55%	0.546	30%	0.296	S	S	.	.	S	Bend	trans	-74	119.4	-179.8	0	0	0	0	0	112.1	S434	S434-G472 WeakPolarHBondContact CB-O 3.37Å; S434-G472 PolarHBondContact OG-N 3.1Å; S434-G472 PolarHBondContact OG-O 2.63Å
473	G	97.8	Very high	98.5	Very high	34 Å²	34	52 Å²	52	35%	0.351	27%	0.273	S	S	.	.			trans	173.7	158.5	178.1	0	0	0	0	0	113.3	F471	F471-G473 PolarHBondContact O-N 3.11Å
474	T	98.4	Very high	98.5	Very high	84 Å²	84	52 Å²	52	52%	0.515	27%	0.273	S	S	.	.			trans	-67.2	165.4	173.2	62.6	0	0	0	0	111.8	K476 Q477 K478	T474-K476 PolarHBondContact O-N 3Å; T474-Q477 WeakPolarHBondContact O-CB 3.41Å; T474-Q477 PolarHBondContact O-N 3.43Å; T474-Q477 VanDerWaalsContact O-N 3.13Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.45Å; T474-Q477 PolarHBondContact OG1-N 3.02Å; T474-Q477 PolarHBondContact OG1-OE1 3.27Å; T474-Q477 VanDerWaalsContact OG1-OE1 3.07Å; T474-K478 PolarHBondContact O-N 3.44Å
475	Q	98.1	Very high	98.5	Very high	156 Å²	156	52 Å²	52	73%	0.729	27%	0.273	S	S	*	.	H	α-helix	trans	-57.1	-38.6	174.4	-172	178.8	5.4	0	0	112.2	K478 Q479	Q475-K478 PolarHBondContact O-N 3.48Å; Q475-Q479 WeakPolarHBondContact O-CG 3.32Å; Q475-Q479 PolarHBondContact O-N 2.76Å
476	K	98	Very high	98.5	Very high	163 Å²	163	46.5 Å²	46.5	71%	0.709	25%	0.249	S	C	*	.	H	α-helix	trans	-65.9	-38.5	176.9	-171.7	178.5	179.6	-177.1	0	112.2	T474 Q479	T474-K476 PolarHBondContact O-N 3Å; K476-Q479 PolarHBondContact O-N 3.31Å
477	Q	98.5	Very high	98.5	Very high	38 Å²	38	45.8 Å²	45.8	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-43.7	172.6	-75	171.2	-80.5	0	0	111.3	T437 A438 T474 Q479 L480	T437-Q477 WeakPolarHBondContact CG2-O 3.34Å; A438-Q477 VanDerWaalsContact CA-NE2 3.27Å; T474-Q477 WeakPolarHBondContact O-CB 3.41Å; T474-Q477 PolarHBondContact O-N 3.43Å; T474-Q477 VanDerWaalsContact O-N 3.13Å; T474-Q477 WeakPolarHBondContact OG1-CG 3.45Å; T474-Q477 PolarHBondContact OG1-N 3.02Å; T474-Q477 PolarHBondContact OG1-OE1 3.27Å; T474-Q477 VanDerWaalsContact OG1-OE1 3.07Å; Q477-Q479 PolarHBondContact O-N 2.91Å; Q477-L480 VanDerWaalsContact O-CB 3.32Å; Q477-L480 WeakPolarHBondContact O-CB 3.39Å; Q477-L480 PolarHBondContact O-N 3.09Å
478	K	98.6	Very high	98.5	Very high	67 Å²	67	45.5 Å²	45.5	29%	0.291	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-24.1	178.1	-66.6	-173.5	-178.7	-157	0	113.5	L469 F471 T474 Q475 L480 F481	L469-K478 HydrophobicContact CB-CD 4.42Å; L469-K478 WeakPolarHBondContact O-CE 3.36Å; L469-K478 PolarHBondContact O-NZ 3.06Å; F471-K478 HydrophobicContact CE1-CG 4.39Å; F471-K478 HydrophobicContact CE2-CG 4.34Å; F471-K478 HydrophobicContact CZ-CG 3.93Å; F471-K478 WeakPolarHBondContact O-CE 3.47Å; F471-K478 PolarHBondContact O-NZ 3.23Å; T474-K478 PolarHBondContact O-N 3.44Å; Q475-K478 PolarHBondContact O-N 3.48Å; K478-L480 VanDerWaalsContact C-N 3.27Å; K478-L480 PolarHBondContact O-N 2.87Å; K478-F481 WeakPolarHBondContact O-CB 3.29Å; K478-F481 PolarHBondContact O-N 3.22Å
479	Q	98.5	Very high	98.5	Very high	135 Å²	135	46.2 Å²	46.2	63%	0.631	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.8	172	-74.4	170.5	-11.3	0	0	113.6	Q475 K476 Q477 F481	Q475-Q479 WeakPolarHBondContact O-CG 3.32Å; Q475-Q479 PolarHBondContact O-N 2.76Å; K476-Q479 PolarHBondContact O-N 3.31Å; Q477-Q479 PolarHBondContact O-N 2.91Å; Q479-F481 VanDerWaalsContact C-N 3.26Å
480	L	98.7	Very high	98.5	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.215	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15	173.2	-66.9	169.1	0	0	0	112.2	T437 P442 V443 Q477 K478 I482	T437-L480 HydrophobicContact CG2-CB 3.93Å; T437-L480 WeakPolarHBondContact O-CD1 3.33Å; P442-L480 CarbonylContact C-O 3.28Å; P442-L480 VanDerWaalsContact CA-O 3.23Å; P442-L480 WeakPolarHBondContact CA-O 3.43Å; P442-L480 HydrophobicContact CG-CD2 4.49Å; V443-L480 PolarHBondContact N-O 2.89Å; Q477-L480 VanDerWaalsContact O-CB 3.32Å; Q477-L480 WeakPolarHBondContact O-CB 3.39Å; Q477-L480 PolarHBondContact O-N 3.09Å; K478-L480 VanDerWaalsContact C-N 3.27Å; K478-L480 PolarHBondContact O-N 2.87Å; L480-I482 PolarHBondContact O-N 2.82Å
481	F	98.9	Very high	98.6	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	108.4	169.3	-172.8	-79.1	0	0	0	109.1	F200 L433 V443 L445 P468 L469 F471 K478 Q479 G483	F200-F481 AromaticContact CD1-CD1 3.7Å; F200-F481 HydrophobicContact CD1-CD1 3.7Å; F200-F481 AromaticContact CD1-CE1 3.94Å; F200-F481 HydrophobicContact CD1-CE1 3.94Å; F200-F481 HydrophobicContact CD2-CE1 4.32Å; F200-F481 AromaticContact CE1-CD1 3.44Å; F200-F481 HydrophobicContact CE1-CD1 3.44Å; F200-F481 VanDerWaalsContact CE1-CD1 3.44Å; F200-F481 AromaticContact CE1-CE1 3.78Å; F200-F481 HydrophobicContact CE1-CE1 3.78Å; F200-F481 HydrophobicContact CE2-CE1 4.17Å; F200-F481 HydrophobicContact CG-CD1 4.4Å; F200-F481 HydrophobicContact CG-CE1 4.21Å; F200-F481 AromaticContact CZ-CD1 3.95Å; F200-F481 HydrophobicContact CZ-CD1 3.95Å; F200-F481 AromaticContact CZ-CE1 3.89Å; F200-F481 HydrophobicContact CZ-CE1 3.89Å; L433-F481 HydrophobicContact CD1-CD2 4.49Å; L433-F481 HydrophobicContact CD1-CE2 4.29Å; L433-F481 HydrophobicContact CD2-CD2 4.27Å; L433-F481 HydrophobicContact CD2-CE2 4.25Å; V443-F481 HydrophobicContact CG1-CB 4.11Å; V443-F481 HydrophobicContact CG1-CD2 3.89Å; V443-F481 HydrophobicContact CG1-CG 4.37Å; L445-F481 HydrophobicContact CB-CE2 3.65Å; L445-F481 HydrophobicContact CB-CZ 3.84Å; L445-F481 HydrophobicContact CD2-CE2 4.33Å; L445-F481 HydrophobicContact CD2-CZ 4.45Å; P468-F481 HydrophobicContact CB-CE1 3.68Å; P468-F481 HydrophobicContact CB-CE2 3.71Å; P468-F481 HydrophobicContact CB-CZ 3.2Å; P468-F481 HydrophobicContact CG-CE1 4.44Å; P468-F481 HydrophobicContact CG-CZ 4.14Å; L469-F481 HydrophobicContact CD2-CB 3.7Å; L469-F481 HydrophobicContact CD2-CD1 3.8Å; L469-F481 HydrophobicContact CD2-CD2 4.28Å; L469-F481 HydrophobicContact CD2-CG 3.66Å; F471-F481 HydrophobicContact CE1-CD2 4.4Å; K478-F481 WeakPolarHBondContact O-CB 3.29Å; K478-F481 PolarHBondContact O-N 3.22Å; Q479-F481 VanDerWaalsContact C-N 3.26Å; F481-G483 VanDerWaalsContact CE1-O 3.22Å; F481-G483 WeakPolarHBondContact CE1-O 3.49Å; F481-G483 WeakPolarHBondContact CZ-O 3.4Å
482	I	98.8	Very high	98.6	Very high	28 Å²	28	51.6 Å²	51.6	14%	0.144	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-11.1	-174.6	59.8	168.6	0	0	0	113.3	I143 F200 S201 H202 I420 P442 V443 I444 L480	I143-I482 HydrophobicContact CD1-CD1 4.28Å; F200-I482 WeakPolarHBondContact CB-O 3.39Å; S201-I482 PolarHBondContact N-O 3.37Å; H202-I482 HydrophobicContact CB-CD1 4.23Å; H202-I482 HydrophobicContact CB-CG1 4.17Å; H202-I482 PolarHBondContact N-O 3.07Å; I420-I482 HydrophobicContact CD1-CD1 3.72Å; I420-I482 HydrophobicContact CG1-CD1 4.4Å; I420-I482 HydrophobicContact CG2-CD1 3.99Å; P442-I482 HydrophobicContact CB-CG2 4.31Å; V443-I482 WeakPolarHBondContact O-CG1 3.47Å; V443-I482 PolarHBondContact O-N 2.78Å; V443-I482 VanDerWaalsContact O-N 3.09Å; I444-I482 HydrophobicContact CD1-CD1 4.19Å; I444-I482 HydrophobicContact CG1-CD1 3.88Å; I444-I482 HydrophobicContact CG1-CG1 3.82Å; L480-I482 PolarHBondContact O-N 2.82Å
483	G	98.9	Very high	98.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-146.7	176.9	0	0	0	0	0	113.7	H202 L445 F481	H202-G483 CarbonylContact O-C 3.4Å; H202-G483 VanDerWaalsContact O-CA 3.23Å; H202-G483 WeakPolarHBondContact O-CA 3.43Å; L445-G483 PolarHBondContact N-O 3.35Å; L445-G483 VanDerWaalsContact N-O 3.12Å; F481-G483 VanDerWaalsContact CE1-O 3.22Å; F481-G483 WeakPolarHBondContact CE1-O 3.49Å; F481-G483 WeakPolarHBondContact CZ-O 3.4Å
484	G	98.9	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	173.8	-173.2	0	0	0	0	0	114	H202 G204 L445 L513	H202-G484 PolarHBondContact O-N 3.12Å; G204-G484 PolarHBondContact N-O 3.3Å; L445-G484 CarbonylContact O-C 3.44Å; L445-G484 WeakPolarHBondContact O-CA 3.47Å; G484-L513 VanDerWaalsContact O-CD1 3.25Å; G484-L513 WeakPolarHBondContact O-CD1 3.4Å
485	E	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145	-178.2	-48.1	-157.1	150	0	0	111.8	H202 G204 H235 I444 L445 S446	H202-E485 IonicContact CD2-OE1 2.8Å; H202-E485 IonicContact CE1-OE1 2.84Å; H202-E485 IonicContact NE2-OE1 3.33Å; H202-E485 PolarHBondContact NE2-OE1 2.9Å; G204-E485 VanDerWaalsContact O-CA 3.26Å; G204-E485 WeakPolarHBondContact O-CA 3Å; H235-E485 WeakPolarHBondContact CB-OE2 3.35Å; H235-E485 IonicContact CE1-OE2 3.47Å; H235-E485 IonicContact CG-OE2 2.73Å; H235-E485 IonicContact ND1-OE1 3.77Å; H235-E485 IonicContact ND1-OE2 3.73Å; H235-E485 PolarHBondContact ND1-OE2 3.32Å; I444-E485 HydrophobicContact CG2-CG 3.77Å; L445-E485 PolarHBondContact O-N 2.91Å; S446-E485 WeakPolarHBondContact CA-O 3.41Å
486	A	98.9	Very high	98.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.3	164.4	0	0	0	0	0	108.5	G204 I205 L206 L451 A506 V509	G204-A486 PolarHBondContact O-N 3.38Å; I205-A486 WeakPolarHBondContact CA-O 3.42Å; I205-A486 HydrophobicContact CD1-CB 3.81Å; L206-A486 PolarHBondContact N-O 3.22Å; L451-A486 HydrophobicContact CD1-CB 4.08Å; L451-A486 HydrophobicContact CD2-CB 4.27Å; A486-A506 HydrophobicContact CB-CB 4.33Å; A486-V509 HydrophobicContact CB-CB 4.19Å; A486-V509 HydrophobicContact CB-CG1 4.22Å; A486-V509 HydrophobicContact CB-CG2 4.01Å
487	C	98.9	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132	-174.6	-60.2	0	0	0	0	111.5	L206 S446 W449 Y450 L451	L206-C487 HydrophobicContact CB-CB 4.19Å; S446-C487 WeakPolarHBondContact CB-SG 3.43Å; W449-C487 PolarHBondContact O-N 2.85Å; Y450-C487 HydrophobicContact CD1-CB 4.02Å; Y450-C487 HydrophobicContact CE1-CB 4.02Å; L451-C487 WeakPolarHBondContact CB-O 3.4Å; L451-C487 PolarHBondContact N-O 3.26Å
488	L	98.8	Very high	98.7	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	83.2	172.8	-171.3	64.2	0	0	0	109.7	L206 L451 D452 V493 L498 R501 L502	L206-L488 PolarHBondContact O-N 3.48Å; L206-L488 VanDerWaalsContact O-N 3.1Å; L451-L488 HydrophobicContact CB-CD1 4.19Å; D452-L488 HydrophobicContact CB-CD1 4.31Å; L488-V493 HydrophobicContact CD1-CG2 3.88Å; L488-V493 HydrophobicContact CD2-CG1 4Å; L488-V493 HydrophobicContact CG-CG1 4.21Å; L488-V493 HydrophobicContact CG-CG2 4.08Å; L488-L498 HydrophobicContact CD2-CG 4.04Å; L488-R501 HydrophobicContact CD1-CG 3.98Å; L488-L502 HydrophobicContact CB-CD1 4.25Å; L488-L502 HydrophobicContact CD2-CB 3.89Å; L488-L502 HydrophobicContact CD2-CD1 4Å; L488-L502 HydrophobicContact CD2-CG 4.37Å
489	W	98.8	Very high	98.7	Very high	18 Å²	18	35.7 Å²	35.7	7%	0.068	18%	0.181	C	C	.	.			trans	-61.4	149.8	173.5	-60	112.9	0	0	0	112.3	L206 D208 R211 H237 W405 Y450 D452 E491	L206-W489 HydrophobicContact CD1-CH2 3.79Å; L206-W489 HydrophobicContact CD1-CZ2 3.96Å; L206-W489 HydrophobicContact CD1-CZ3 4.19Å; L206-W489 HydrophobicContact CD2-CD2 4.16Å; L206-W489 HydrophobicContact CD2-CE3 3.92Å; L206-W489 HydrophobicContact CD2-CH2 4.43Å; L206-W489 HydrophobicContact CD2-CZ3 4.07Å; D208-W489 HydrophobicContact CB-CE3 4.23Å; R211-W489 VanDerWaalsContact NH1-CE3 3.33Å; H237-W489 HydrophobicContact CB-CZ3 4.45Å; H237-W489 AromaticContact CE1-CZ3 3.84Å; H237-W489 AromaticContact CG-CZ3 3.82Å; H237-W489 AromaticContact ND1-CZ3 3.62Å; W405-W489 HydrophobicContact CH2-CZ2 4.2Å; W405-W489 AromaticContact CZ2-CH2 3.84Å; W405-W489 HydrophobicContact CZ2-CH2 3.84Å; W405-W489 AromaticContact CZ2-CZ2 3.95Å; W405-W489 HydrophobicContact CZ2-CZ2 3.95Å; Y450-W489 AromaticContact CD2-CD1 3.89Å; Y450-W489 AromaticContact CD2-NE1 3.77Å; Y450-W489 AromaticContact CE1-NE1 3.97Å; Y450-W489 AromaticContact CE2-CD1 3.67Å; Y450-W489 AromaticContact CE2-NE1 3.13Å; Y450-W489 AromaticContact CZ-NE1 3.21Å; Y450-W489 PolarHBondContact OH-NE1 3.15Å; D452-W489 HydrophobicContact CB-CB 4.09Å; W489-E491 VanDerWaalsContact CB-OE2 3.27Å; W489-E491 WeakPolarHBondContact CB-OE2 3.37Å
490	G	98.6	Very high	98.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-94.2	-4.7	-159.8	0	0	0	0	0	115.2	D208 R211 H212 Y492 V493	D208-G490 WeakPolarHBondContact OD2-CA 3.42Å; D208-G490 PolarHBondContact OD2-N 3.05Å; R211-G490 VanDerWaalsContact CB-C 3.4Å; H212-G490 PolarHBondContact ND1-O 3.37Å; G490-Y492 PolarHBondContact O-N 3.28Å; G490-V493 PolarHBondContact O-N 2.98Å; G490-V493 VanDerWaalsContact O-N 3.09Å; G490-V493 VanDerWaalsContact O-O 3.07Å
491	E	98.6	Very high	98.7	Very high	75 Å²	75	31.4 Å²	31.4	35%	0.35	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33	-172.5	-68.8	81.3	176.7	0	0	112.9	R211 H212 W489	R211-E491 HydrophobicContact CG-CG 4.02Å; R211-E491 IonicContact CZ-OE1 2.78Å; R211-E491 IonicContact NH1-OE1 3.52Å; R211-E491 PolarHBondContact NH1-OE1 3.22Å; R211-E491 IonicContact NH2-OE1 2.69Å; H212-E491 PolarHBondContact CE1-O 3.22Å; W489-E491 VanDerWaalsContact CB-OE2 3.27Å; W489-E491 WeakPolarHBondContact CB-OE2 3.37Å
492	Y	98.6	Very high	98.7	Very high	180 Å²	180	31 Å²	31	71%	0.706	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	15.3	179.4	-52.4	-75.6	0	0	0	112.6	G490 N497 R501	G490-Y492 PolarHBondContact O-N 3.28Å; Y492-N497 PolarHBondContact O-ND2 2.89Å; Y492-R501 PolarHBondContact O-NH1 3.16Å
493	V	98.7	Very high	98.7	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	15%	0.153	C	C	.	.			trans	-128.2	126.6	-172.8	-179.9	0	0	0	0	110.8	H212 L488 G490 N497 L498	H212-V493 WeakPolarHBondContact CB-O 3.11Å; H212-V493 PolarHBondContact ND1-O 3.15Å; L488-V493 HydrophobicContact CD1-CG2 3.88Å; L488-V493 HydrophobicContact CD2-CG1 4Å; L488-V493 HydrophobicContact CG-CG1 4.21Å; L488-V493 HydrophobicContact CG-CG2 4.08Å; G490-V493 PolarHBondContact O-N 2.98Å; G490-V493 VanDerWaalsContact O-N 3.09Å; G490-V493 VanDerWaalsContact O-O 3.07Å; V493-N497 VanDerWaalsContact CA-OD1 3.29Å; V493-N497 WeakPolarHBondContact CA-OD1 3.36Å; V493-L498 HydrophobicContact CG1-CB 3.68Å; V493-L498 HydrophobicContact CG1-CD1 4.28Å; V493-L498 HydrophobicContact CG1-CG 4.04Å
494	D	98.6	Very high	98.7	Very high	51 Å²	51	29.9 Å²	29.9	27%	0.273	15%	0.154	S	C	.	.	S	Bend	trans	-140.5	-166.8	169.2	75.1	-3.5	0	0	0	110	H212 T496 N497 L498	H212-D494 HydrophobicContact CB-CB 3.81Å; D494-T496 PolarHBondContact O-N 3.43Å; D494-T496 WeakPolarHBondContact OD1-CA 3.27Å; D494-T496 VanDerWaalsContact OD1-CB 3.25Å; D494-T496 WeakPolarHBondContact OD1-CB 3.4Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.18Å; D494-T496 PolarHBondContact OD1-N 3.32Å; D494-T496 PolarHBondContact OD1-OG1 3.49Å; D494-N497 PolarHBondContact N-OD1 2.85Å; D494-N497 VanDerWaalsContact N-OD1 3.07Å; D494-N497 PolarHBondContact O-N 2.76Å; D494-N497 PolarHBondContact O-OD1 2.85Å; D494-L498 WeakPolarHBondContact O-CB 3.2Å; D494-L498 PolarHBondContact O-N 2.78Å
495	A	98.5	Very high	98.7	Very high	41 Å²	41	30.1 Å²	30.1	34%	0.339	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25	178.6	0	0	0	0	0	114.5	P215 I218	P215-A495 HydrophobicContact CG-CB 4.38Å; I218-A495 HydrophobicContact CG1-CB 3.96Å
496	T	98.5	Very high	98.7	Very high	115 Å²	115	30.1 Å²	30.1	71%	0.706	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-27.9	-175.1	70.2	0	0	0	0	113.1	D494	D494-T496 PolarHBondContact O-N 3.43Å; D494-T496 WeakPolarHBondContact OD1-CA 3.27Å; D494-T496 VanDerWaalsContact OD1-CB 3.25Å; D494-T496 WeakPolarHBondContact OD1-CB 3.4Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.18Å; D494-T496 PolarHBondContact OD1-N 3.32Å; D494-T496 PolarHBondContact OD1-OG1 3.49Å
497	N	98.6	Very high	98.7	Very high	37 Å²	37	30.1 Å²	30.1	20%	0.198	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-5.5	-172	69.9	0.4	0	0	0	114.7	Y492 V493 D494 T499 P500 R501	Y492-N497 PolarHBondContact O-ND2 2.89Å; V493-N497 VanDerWaalsContact CA-OD1 3.29Å; V493-N497 WeakPolarHBondContact CA-OD1 3.36Å; D494-N497 PolarHBondContact N-OD1 2.85Å; D494-N497 VanDerWaalsContact N-OD1 3.07Å; D494-N497 PolarHBondContact O-N 2.76Å; D494-N497 PolarHBondContact O-OD1 2.85Å; N497-T499 PolarHBondContact O-N 3.34Å; N497-P500 WeakPolarHBondContact O-CD 3.12Å; N497-P500 WeakPolarHBondContact O-CG 2.99Å; N497-R501 PolarHBondContact ND2-NH2 2.92Å; N497-R501 WeakPolarHBondContact O-CB 3.44Å; N497-R501 PolarHBondContact O-N 2.85Å
498	L	98.7	Very high	98.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-54.8	-54.7	-179.2	-177.7	156	0	0	0	112.6	L214 I218 T222 L488 V493 D494 R501 L502	L214-L498 HydrophobicContact CD1-CD1 3.23Å; L214-L498 HydrophobicContact CD2-CD1 3.7Å; L214-L498 HydrophobicContact CG-CD1 4.11Å; I218-L498 HydrophobicContact CG2-CD1 4.17Å; I218-L498 HydrophobicContact CG2-CD2 4.22Å; T222-L498 WeakPolarHBondContact OG1-CD2 3.44Å; L488-L498 HydrophobicContact CD2-CG 4.04Å; V493-L498 HydrophobicContact CG1-CB 3.68Å; V493-L498 HydrophobicContact CG1-CD1 4.28Å; V493-L498 HydrophobicContact CG1-CG 4.04Å; D494-L498 WeakPolarHBondContact O-CB 3.2Å; D494-L498 PolarHBondContact O-N 2.78Å; L498-R501 PolarHBondContact O-N 2.77Å; L498-L502 HydrophobicContact CD2-CD2 4.23Å; L498-L502 WeakPolarHBondContact O-CB 3.39Å; L498-L502 PolarHBondContact O-N 2.94Å
499	T	98.7	Very high	98.7	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-52.9	-174.6	-59.4	0	0	0	0	113.1	N497 R501 L502 W503 I541 A542	N497-T499 PolarHBondContact O-N 3.34Å; T499-R501 VanDerWaalsContact C-N 3.33Å; T499-R501 PolarHBondContact O-N 3.06Å; T499-L502 PolarHBondContact O-N 3.04Å; T499-W503 PolarHBondContact O-N 3.43Å; T499-I541 HydrophobicContact CG2-CG2 3.71Å; T499-A542 HydrophobicContact CG2-CB 4.26Å
500	P	98.5	Very high	98.7	Very high	43 Å²	43	29.1 Å²	29.1	28%	0.279	15%	0.151	S	C	.	.	H	α-helix	trans	-67.3	-32.5	179	24.4	-33.9	0	0	0	112.8	N497 A542 Q544	N497-P500 WeakPolarHBondContact O-CD 3.12Å; N497-P500 WeakPolarHBondContact O-CG 2.99Å; P500-A542 VanDerWaalsContact CA-O 3.28Å; P500-A542 WeakPolarHBondContact CA-O 3.43Å; P500-A542 WeakPolarHBondContact CB-O 3.19Å; P500-Q544 HydrophobicContact CB-CB 4.21Å; P500-Q544 WeakPolarHBondContact O-CB 3.43Å; P500-Q544 WeakPolarHBondContact O-CG 3.33Å; P500-Q544 PolarHBondContact O-OE1 2.59Å
501	R	98.6	Very high	98.7	Very high	42 Å²	42	29.1 Å²	29.1	16%	0.158	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-41.6	175.9	-174.2	169.1	-68.3	166.2	3.7	111.3	I454 L488 Y492 N497 L498 T499 R505	I454-R501 HydrophobicContact CG2-CG 4.06Å; L488-R501 HydrophobicContact CD1-CG 3.98Å; Y492-R501 PolarHBondContact O-NH1 3.16Å; N497-R501 PolarHBondContact ND2-NH2 2.92Å; N497-R501 WeakPolarHBondContact O-CB 3.44Å; N497-R501 PolarHBondContact O-N 2.85Å; L498-R501 PolarHBondContact O-N 2.77Å; T499-R501 VanDerWaalsContact C-N 3.33Å; T499-R501 PolarHBondContact O-N 3.06Å; R501-R505 VanDerWaalsContact O-CZ 3.27Å; R501-R505 PolarHBondContact O-NE 3.29Å; R501-R505 PolarHBondContact O-NH2 3.06Å
502	L	98.8	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.6	-47.1	-177.6	-170	59.4	0	0	0	111.8	I205 T222 L451 L488 L498 T499 R505 A506	I205-L502 HydrophobicContact CG2-CD1 4.17Å; I205-L502 HydrophobicContact CG2-CD2 4.02Å; T222-L502 HydrophobicContact CG2-CD2 3.88Å; L451-L502 HydrophobicContact CD2-CD1 3.96Å; L488-L502 HydrophobicContact CB-CD1 4.25Å; L488-L502 HydrophobicContact CD2-CB 3.89Å; L488-L502 HydrophobicContact CD2-CD1 4Å; L488-L502 HydrophobicContact CD2-CG 4.37Å; L498-L502 HydrophobicContact CD2-CD2 4.23Å; L498-L502 WeakPolarHBondContact O-CB 3.39Å; L498-L502 PolarHBondContact O-N 2.94Å; T499-L502 PolarHBondContact O-N 3.04Å; L502-R505 PolarHBondContact O-N 3.06Å; L502-A506 HydrophobicContact CD1-CB 3.77Å; L502-A506 HydrophobicContact CG-CB 4.1Å; L502-A506 WeakPolarHBondContact O-CB 3.22Å; L502-A506 PolarHBondContact O-N 2.74Å
503	W	98.9	Very high	98.8	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	132.1	-171.8	-54.7	106.9	0	0	0	111.7	I205 A225 M226 N229 F231 T499 A506 M536 I541 A543 Q544	I205-W503 HydrophobicContact CD1-CH2 4.26Å; I205-W503 HydrophobicContact CG1-CH2 4.39Å; A225-W503 HydrophobicContact CB-CD2 4.03Å; A225-W503 HydrophobicContact CB-CG 4.33Å; A225-W503 HydrophobicContact CB-CZ2 3.71Å; A225-W503 VanDerWaalsContact CB-NE1 3.3Å; M226-W503 HydrophobicContact CG-CH2 4.28Å; M226-W503 HydrophobicContact CG-CZ2 4.04Å; N229-W503 HydrophobicContact CB-CH2 4.21Å; N229-W503 HydrophobicContact CB-CZ3 3.87Å; N229-W503 VanDerWaalsContact CG-CZ3 3.49Å; N229-W503 WeakPolarHBondContact ND2-CZ3 3.36Å; F231-W503 AromaticContact CD2-CH2 3.98Å; F231-W503 HydrophobicContact CD2-CH2 3.98Å; F231-W503 HydrophobicContact CD2-CZ3 4.37Å; F231-W503 HydrophobicContact CE2-CH2 4.03Å; F231-W503 HydrophobicContact CE2-CZ3 4.08Å; T499-W503 PolarHBondContact O-N 3.43Å; W503-A506 HydrophobicContact CE3-CB 3.87Å; W503-A506 HydrophobicContact CH2-CB 3.98Å; W503-A506 HydrophobicContact CZ3-CB 3.57Å; W503-M536 HydrophobicContact CB-CE 4.33Å; W503-M536 HydrophobicContact CB-SD 4.28Å; W503-M536 HydrophobicContact CE3-SD 4.38Å; W503-M536 HydrophobicContact CG-SD 4.48Å; W503-I541 HydrophobicContact CB-CG2 4.43Å; W503-I541 HydrophobicContact CG-CG2 4.27Å; W503-A543 HydrophobicContact CB-CB 3.79Å; W503-A543 CarbonylContact O-C 3.52Å; W503-A543 VanDerWaalsContact O-CA 3.23Å; W503-A543 WeakPolarHBondContact O-CA 3.33Å; W503-Q544 PolarHBondContact O-N 3.49Å
504	P	98.7	Very high	98.8	Very high	3 Å²	3	17 Å²	17	2%	0.019	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.1	16.6	10.7	37.7	-35.9	0	0	0	114.2	A506 S507 L529 R533 M536 Q544 L546	P504-A506 VanDerWaalsContact C-N 3.33Å; P504-A506 PolarHBondContact O-N 3.36Å; P504-S507 WeakPolarHBondContact O-CB 3.32Å; P504-S507 PolarHBondContact O-N 2.87Å; P504-S507 VanDerWaalsContact O-N 3.07Å; P504-S507 PolarHBondContact O-OG 3.08Å; P504-L529 HydrophobicContact CB-CD1 4.09Å; P504-L529 HydrophobicContact CB-CG 4.44Å; P504-R533 HydrophobicContact CB-CB 4.39Å; P504-R533 HydrophobicContact CG-CB 4.32Å; P504-R533 HydrophobicContact CG-CG 4.16Å; P504-M536 HydrophobicContact CB-CE 3.74Å; P504-Q544 WeakPolarHBondContact CD-O 3.36Å; P504-L546 HydrophobicContact CG-CD1 3.55Å; P504-L546 HydrophobicContact CG-CG 4.12Å
505	R	98.9	Very high	98.8	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.015	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-41.2	-178.1	-64.6	-169.3	-58.3	138.3	10.6	112	L451 D459 Y463 R501 L502 S507 A508	L451-R505 HydrophobicContact CD2-CB 3.93Å; L451-R505 HydrophobicContact CG-CB 4.3Å; L451-R505 VanDerWaalsContact O-CZ 3.26Å; L451-R505 PolarHBondContact O-NH1 3.35Å; L451-R505 PolarHBondContact O-NH2 3.44Å; D459-R505 VanDerWaalsContact CG-CD 3.47Å; D459-R505 WeakPolarHBondContact OD1-CD 3.34Å; D459-R505 WeakPolarHBondContact OD2-CD 3.21Å; D459-R505 IonicContact OD2-CZ 3.62Å; D459-R505 IonicContact OD2-NE 3.26Å; D459-R505 IonicContact OD2-NH1 2.72Å; D459-R505 PolarHBondContact OD2-NH1 2.6Å; Y463-R505 HydrophobicContact CD2-CB 4.31Å; Y463-R505 HydrophobicContact CE2-CB 4.2Å; Y463-R505 PolarHBondContact OH-NH1 2.94Å; R501-R505 VanDerWaalsContact O-CZ 3.27Å; R501-R505 PolarHBondContact O-NE 3.29Å; R501-R505 PolarHBondContact O-NH2 3.06Å; L502-R505 PolarHBondContact O-N 3.06Å; R505-S507 PolarHBondContact O-N 2.86Å; R505-A508 VanDerWaalsContact O-CB 3.24Å; R505-A508 WeakPolarHBondContact O-CB 3.46Å; R505-A508 PolarHBondContact O-N 3.12Å
506	A	98.9	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.4	-25.5	174.7	0	0	0	0	0	112.6	I205 F231 L451 A486 L502 W503 P504 A508 V509 G510	I205-A506 HydrophobicContact CD1-CB 3.84Å; F231-A506 WeakPolarHBondContact CE2-O 3.4Å; F231-A506 VanDerWaalsContact CZ-O 3.26Å; F231-A506 WeakPolarHBondContact CZ-O 3.43Å; L451-A506 HydrophobicContact CD2-CB 3.77Å; A486-A506 HydrophobicContact CB-CB 4.33Å; L502-A506 HydrophobicContact CD1-CB 3.77Å; L502-A506 HydrophobicContact CG-CB 4.1Å; L502-A506 WeakPolarHBondContact O-CB 3.22Å; L502-A506 PolarHBondContact O-N 2.74Å; W503-A506 HydrophobicContact CE3-CB 3.87Å; W503-A506 HydrophobicContact CH2-CB 3.98Å; W503-A506 HydrophobicContact CZ3-CB 3.57Å; P504-A506 VanDerWaalsContact C-N 3.33Å; P504-A506 PolarHBondContact O-N 3.36Å; A506-A508 PolarHBondContact O-N 3.44Å; A506-V509 WeakPolarHBondContact O-CB 3.21Å; A506-V509 PolarHBondContact O-N 2.96Å; A506-V509 VanDerWaalsContact O-N 3.08Å; A506-G510 PolarHBondContact O-N 3.21Å
507	S	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-37.4	173.9	-54.4	0	0	0	0	111.5	W57 N229 P504 R505 V509 G510 E511	W57-S507 VanDerWaalsContact CE2-O 3.31Å; W57-S507 WeakPolarHBondContact CZ2-O 3.4Å; W57-S507 PolarHBondContact NE1-O 3.43Å; N229-S507 WeakPolarHBondContact OD1-CA 3.31Å; N229-S507 WeakPolarHBondContact OD1-CB 3.29Å; N229-S507 PolarHBondContact OD1-OG 2.83Å; P504-S507 WeakPolarHBondContact O-CB 3.32Å; P504-S507 PolarHBondContact O-N 2.87Å; P504-S507 VanDerWaalsContact O-N 3.07Å; P504-S507 PolarHBondContact O-OG 3.08Å; R505-S507 PolarHBondContact O-N 2.86Å; S507-V509 VanDerWaalsContact C-N 3.29Å; S507-V509 PolarHBondContact O-N 3.07Å; S507-G510 PolarHBondContact O-N 2.97Å; S507-G510 VanDerWaalsContact O-N 3.13Å; S507-E511 PolarHBondContact O-N 3Å
508	A	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56	-43.2	174.5	0	0	0	0	0	112.5	W460 Y464 R505 A506 R512	W460-A508 HydrophobicContact CB-CB 4.36Å; W460-A508 HydrophobicContact CE3-CB 4.25Å; W460-A508 WeakPolarHBondContact O-CB 3.49Å; Y464-A508 HydrophobicContact CD2-CB 4.33Å; R505-A508 VanDerWaalsContact O-CB 3.24Å; R505-A508 WeakPolarHBondContact O-CB 3.46Å; R505-A508 PolarHBondContact O-N 3.12Å; A506-A508 PolarHBondContact O-N 3.44Å; A508-R512 PolarHBondContact O-N 3.14Å
509	V	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.2	-42.3	176.2	-174.1	0	0	0	0	110.3	F231 W449 A486 A506 S507 E511 R512 L513	F231-V509 HydrophobicContact CZ-CB 4.18Å; F231-V509 HydrophobicContact CZ-CG1 4.42Å; W449-V509 HydrophobicContact CB-CG2 4.09Å; W449-V509 VanDerWaalsContact CD1-CG2 3.47Å; W449-V509 HydrophobicContact CD2-CG1 3.66Å; W449-V509 HydrophobicContact CD2-CG2 4.1Å; W449-V509 HydrophobicContact CE3-CG1 3.86Å; W449-V509 HydrophobicContact CG-CB 4.49Å; W449-V509 HydrophobicContact CG-CG1 4.04Å; W449-V509 HydrophobicContact CG-CG2 3.63Å; W449-V509 HydrophobicContact CH2-CG1 4.43Å; W449-V509 HydrophobicContact CZ2-CG1 4.27Å; W449-V509 HydrophobicContact CZ3-CG1 4.26Å; A486-V509 HydrophobicContact CB-CB 4.19Å; A486-V509 HydrophobicContact CB-CG1 4.22Å; A486-V509 HydrophobicContact CB-CG2 4.01Å; A506-V509 WeakPolarHBondContact O-CB 3.21Å; A506-V509 PolarHBondContact O-N 2.96Å; A506-V509 VanDerWaalsContact O-N 3.08Å; S507-V509 VanDerWaalsContact C-N 3.29Å; S507-V509 PolarHBondContact O-N 3.07Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.48Å; V509-R512 PolarHBondContact O-N 3.15Å; V509-R512 VanDerWaalsContact O-N 3.16Å; V509-L513 HydrophobicContact CG1-CD1 3.79Å; V509-L513 HydrophobicContact CG1-CG 4.17Å; V509-L513 WeakPolarHBondContact O-CG 3.46Å; V509-L513 PolarHBondContact O-N 2.98Å
510	G	98.9	Very high	98.7	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-43.9	177.4	0	0	0	0	0	113	F231 A506 S507 L513 W514	F231-G510 VanDerWaalsContact CE2-CA 3.44Å; F231-G510 VanDerWaalsContact CZ-CA 3.43Å; F231-G510 VanDerWaalsContact CZ-N 3.3Å; A506-G510 PolarHBondContact O-N 3.21Å; S507-G510 PolarHBondContact O-N 2.97Å; S507-G510 VanDerWaalsContact O-N 3.13Å; G510-L513 PolarHBondContact O-N 3.17Å; G510-W514 VanDerWaalsContact O-CB 3.29Å; G510-W514 WeakPolarHBondContact O-CB 3.39Å; G510-W514 PolarHBondContact O-N 3.42Å
511	E	98.9	Very high	98.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-68.4	-43.1	175	179.4	155.9	112.7	0	0	112.3	W57 P58 L59 Y464 S507 V509 L513 W514 S515 R528	W57-E511 HydrophobicContact CD2-CB 4.39Å; W57-E511 HydrophobicContact CH2-CB 3.98Å; W57-E511 HydrophobicContact CH2-CG 4.39Å; W57-E511 HydrophobicContact CZ2-CB 3.41Å; W57-E511 VanDerWaalsContact CZ2-CB 3.41Å; W57-E511 HydrophobicContact CZ2-CG 4.28Å; P58-E511 WeakPolarHBondContact CA-OE2 3.37Å; P58-E511 HydrophobicContact CB-CB 4.2Å; P58-E511 HydrophobicContact CB-CG 4.33Å; P58-E511 HydrophobicContact CG-CB 4.5Å; L59-E511 PolarHBondContact N-OE2 3.47Å; Y464-E511 HydrophobicContact CE2-CB 4.01Å; Y464-E511 HydrophobicContact CE2-CG 3.78Å; Y464-E511 WeakPolarHBondContact CE2-OE1 3.47Å; Y464-E511 VanDerWaalsContact CZ-OE1 3.29Å; Y464-E511 PolarHBondContact OH-OE1 3.42Å; S507-E511 PolarHBondContact O-N 3Å; V509-E511 VanDerWaalsContact C-N 3.34Å; V509-E511 PolarHBondContact O-N 3.48Å; E511-L513 PolarHBondContact O-N 2.98Å; E511-W514 PolarHBondContact O-N 2.81Å; E511-S515 VanDerWaalsContact O-CB 3.31Å; E511-S515 WeakPolarHBondContact O-CB 3.42Å; E511-S515 PolarHBondContact O-N 3.42Å; E511-R528 IonicContact OE1-CZ 3.1Å; E511-R528 IonicContact OE1-NH1 4Å; E511-R528 PolarHBondContact OE1-NH1 3.19Å; E511-R528 IonicContact OE1-NH2 3.18Å; E511-R528 PolarHBondContact OE1-NH2 3.01Å; E511-R528 IonicContact OE2-CZ 3.76Å; E511-R528 IonicContact OE2-NH1 3.43Å; E511-R528 PolarHBondContact OE2-NH1 3.31Å; E511-R528 IonicContact OE2-NH2 2.73Å
512	R	98.9	Very high	98.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-33.6	178.1	-179.2	53.7	62.6	-143.6	-8.9	112.7	W449 Y464 V466 P468 A508 V509 V519	W449-R512 HydrophobicContact CZ2-CG 4.06Å; Y464-R512 VanDerWaalsContact O-CZ 3.26Å; Y464-R512 PolarHBondContact O-NE 2.65Å; Y464-R512 PolarHBondContact O-NH2 2.97Å; V466-R512 WeakPolarHBondContact O-CD 3.26Å; V466-R512 VanDerWaalsContact O-CG 3.28Å; V466-R512 WeakPolarHBondContact O-CG 3.43Å; V466-R512 PolarHBondContact O-NE 2.79Å; P468-R512 HydrophobicContact CG-CG 4.36Å; A508-R512 PolarHBondContact O-N 3.14Å; V509-R512 PolarHBondContact O-N 3.15Å; V509-R512 VanDerWaalsContact O-N 3.16Å; R512-V519 PolarHBondContact NH1-O 2.81Å; R512-V519 PolarHBondContact NH2-O 3.23Å; R512-V519 VanDerWaalsContact NH2-O 3.16Å
513	L	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-87.2	-22.2	-179.2	-64.3	179.3	0	0	0	114.1	F200 R203 W449 G484 V509 G510 E511	F200-L513 HydrophobicContact CD2-CD2 3.9Å; F200-L513 HydrophobicContact CE2-CD2 4.43Å; F200-L513 PolarHBondContact N-O 3.09Å; R203-L513 HydrophobicContact CB-CB 4.44Å; R203-L513 HydrophobicContact CB-CD1 4.25Å; R203-L513 HydrophobicContact CG-CB 3.81Å; R203-L513 HydrophobicContact CG-CD1 4.32Å; W449-L513 HydrophobicContact CH2-CD2 3.68Å; W449-L513 HydrophobicContact CH2-CG 4.26Å; W449-L513 HydrophobicContact CZ3-CD2 4.02Å; G484-L513 VanDerWaalsContact O-CD1 3.25Å; G484-L513 WeakPolarHBondContact O-CD1 3.4Å; V509-L513 HydrophobicContact CG1-CD1 3.79Å; V509-L513 HydrophobicContact CG1-CG 4.17Å; V509-L513 WeakPolarHBondContact O-CG 3.46Å; V509-L513 PolarHBondContact O-N 2.98Å; G510-L513 PolarHBondContact O-N 3.17Å; E511-L513 PolarHBondContact O-N 2.98Å
514	W	98.9	Very high	98.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-92.7	-52.5	177.2	-177.9	-79.8	0	0	0	112.7	P58 E147 Y149 R170 D196 P198 R199 K230 G510 E511	P58-W514 HydrophobicContact CB-CB 3.69Å; P58-W514 HydrophobicContact CB-CG 3.71Å; P58-W514 HydrophobicContact CG-CB 3.71Å; P58-W514 HydrophobicContact CG-CG 3.94Å; E147-W514 HydrophobicContact CB-CH2 4.35Å; Y149-W514 HydrophobicContact CE1-CZ2 4.06Å; R170-W514 HydrophobicContact CB-CH2 3.85Å; R170-W514 HydrophobicContact CB-CZ2 4.46Å; R170-W514 HydrophobicContact CG-CH2 3.65Å; R170-W514 HydrophobicContact CG-CZ3 4.01Å; D196-W514 VanDerWaalsContact CG-NE1 3.35Å; D196-W514 PolarHBondContact OD1-NE1 2.02Å; D196-W514 WeakPolarHBondContact OD2-CZ2 3Å; D196-W514 PolarHBondContact OD2-NE1 3.24Å; P198-W514 HydrophobicContact CB-CD2 4.09Å; P198-W514 HydrophobicContact CB-CE3 3.69Å; P198-W514 HydrophobicContact CB-CH2 4.26Å; P198-W514 HydrophobicContact CB-CZ3 3.78Å; P198-W514 HydrophobicContact CG-CH2 4.37Å; P198-W514 HydrophobicContact CG-CZ3 4.16Å; R199-W514 WeakPolarHBondContact CB-O 3.41Å; R199-W514 PolarHBondContact N-O 2.87Å; K230-W514 HydrophobicContact CB-CD2 4.1Å; K230-W514 HydrophobicContact CB-CE3 3.51Å; K230-W514 HydrophobicContact CB-CZ3 3.83Å; K230-W514 HydrophobicContact CD-CD2 3.58Å; K230-W514 HydrophobicContact CD-CE3 3.66Å; K230-W514 HydrophobicContact CD-CG 4.35Å; K230-W514 HydrophobicContact CD-CH2 3.75Å; K230-W514 HydrophobicContact CD-CZ2 3.62Å; K230-W514 HydrophobicContact CD-CZ3 3.75Å; K230-W514 HydrophobicContact CG-CE3 4.24Å; K230-W514 HydrophobicContact CG-CZ3 4.35Å; G510-W514 VanDerWaalsContact O-CB 3.29Å; G510-W514 WeakPolarHBondContact O-CB 3.39Å; G510-W514 PolarHBondContact O-N 3.42Å; E511-W514 PolarHBondContact O-N 2.81Å
515	S	98.8	Very high	98.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.169	C	C	.	.	S	Bend	trans	-79	164.9	-168.6	-60.8	0	0	0	0	113	L59 R199 E511	L59-S515 PolarHBondContact N-OG 3.28Å; L59-S515 WeakPolarHBondContact O-CB 3.27Å; L59-S515 PolarHBondContact O-OG 3.12Å; R199-S515 WeakPolarHBondContact CD-O 3.34Å; E511-S515 VanDerWaalsContact O-CB 3.31Å; E511-S515 WeakPolarHBondContact O-CB 3.42Å; E511-S515 PolarHBondContact O-N 3.42Å
516	S	98.5	Very high	98.5	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	17%	0.171	C	C	.	.			trans	-58	155	177.6	-57.4	0	0	0	0	113.1	L61 D518 V519	L61-S516 WeakPolarHBondContact CD1-OG 3.14Å; S516-D518 WeakPolarHBondContact CB-OD1 3.3Å; S516-D518 PolarHBondContact O-N 3.38Å; S516-D518 VanDerWaalsContact O-N 3.14Å; S516-V519 PolarHBondContact O-N 2.9Å; S516-V519 VanDerWaalsContact O-N 3.14Å
517	K	98.5	Very high	98.4	Very high	93 Å²	93	37 Å²	37	40%	0.404	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.5	179.6	-172.7	-179.4	-160.8	-66.8	0	113.3	E467 D470 R520	E467-K517 WeakPolarHBondContact OE2-CG 3.18Å; D470-K517 IonicContact OD1-NZ 3.67Å; D470-K517 PolarHBondContact OD1-NZ 3.5Å; K517-R520 WeakPolarHBondContact O-CD 3.04Å; K517-R520 VanDerWaalsContact O-CG 3.31Å; K517-R520 WeakPolarHBondContact O-CG 3.03Å
518	D	98	Very high	98.4	Very high	132 Å²	132	37.8 Å²	37.8	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.1	-175.4	56.2	-15.8	0	0	0	114.3	S516 R520	S516-D518 WeakPolarHBondContact CB-OD1 3.3Å; S516-D518 PolarHBondContact O-N 3.38Å; S516-D518 VanDerWaalsContact O-N 3.14Å; D518-R520 PolarHBondContact O-N 3.22Å
519	V	98.5	Very high	98.4	Very high	22 Å²	22	37.8 Å²	37.8	13%	0.133	19%	0.19	C	C	.	.			trans	-74.7	92.5	171.5	-173.4	0	0	0	0	109.1	L59 Y464 R512 S516	L59-V519 HydrophobicContact CB-CG1 4.18Å; L59-V519 HydrophobicContact CD2-CG1 3.87Å; L59-V519 HydrophobicContact CD2-CG2 4.08Å; Y464-V519 PolarHBondContact OH-O 2.94Å; R512-V519 PolarHBondContact NH1-O 2.81Å; R512-V519 PolarHBondContact NH2-O 3.23Å; R512-V519 VanDerWaalsContact NH2-O 3.16Å; S516-V519 PolarHBondContact O-N 2.9Å; S516-V519 VanDerWaalsContact O-N 3.14Å
520	R	98	Very high	98.3	Very high	101 Å²	101	39.2 Å²	39.2	38%	0.381	20%	0.199	S	C	.	.			trans	-144.7	1.6	-173.9	-53.5	-169.7	75.7	-173.4	6.6	114.8	K465 K517 D518 M522	K465-R520 PolarHBondContact O-NH2 2.61Å; K517-R520 WeakPolarHBondContact O-CD 3.04Å; K517-R520 VanDerWaalsContact O-CG 3.31Å; K517-R520 WeakPolarHBondContact O-CG 3.03Å; D518-R520 PolarHBondContact O-N 3.22Å; R520-M522 PolarHBondContact O-N 3.28Å
521	D	98.4	Very high	98.2	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	21%	0.21	S	C	.	.			trans	-65.8	121.7	178.9	-173.2	-80.5	0	0	0	110.1	D523 D524 A525	D521-D523 PolarHBondContact OD1-N 2.84Å; D521-D524 HydrophobicContact CB-CB 4.12Å; D521-D524 WeakPolarHBondContact OD1-CB 3.46Å; D521-D524 PolarHBondContact OD1-N 3.01Å; D521-A525 WeakPolarHBondContact O-CB 3.38Å; D521-A525 PolarHBondContact O-N 2.99Å
522	M	98.3	Very high	98.1	Very high	32 Å²	32	42.3 Å²	42.3	16%	0.158	21%	0.21	C	C	.	.	H	α-helix	trans	-80.2	-20.7	-169.9	-69.5	-57.8	-43.7	0	0	113.6	W460 R461 Y464 K465 R520 Y526	W460-M522 HydrophobicContact CH2-CE 3.7Å; W460-M522 HydrophobicContact CZ2-CE 4.34Å; W460-M522 HydrophobicContact CZ3-CE 3.94Å; R461-M522 HydrophobicContact CB-CE 3.66Å; R461-M522 HydrophobicContact CG-CE 3.48Å; R461-M522 VanDerWaalsContact CG-CE 3.48Å; R461-M522 PolarHBondContact NH1-O 3.07Å; Y464-M522 HydrophobicContact CD1-CE 4.21Å; Y464-M522 HydrophobicContact CD1-SD 3.71Å; Y464-M522 HydrophobicContact CE1-SD 4.22Å; K465-M522 HydrophobicContact CD-SD 4.48Å; K465-M522 HydrophobicContact CG-SD 3.96Å; R520-M522 PolarHBondContact O-N 3.28Å; M522-Y526 WeakPolarHBondContact O-CB 3.47Å; M522-Y526 PolarHBondContact O-N 2.86Å
523	D	97.7	Very high	98.1	Very high	115 Å²	115	43.6 Å²	43.6	62%	0.615	22%	0.215	S	C	*	.	H	α-helix	trans	-84.8	-48.1	179.7	-66.7	-22.1	0	0	0	108.7	D521 A525 Y526 D527	D521-D523 PolarHBondContact OD1-N 2.84Å; D523-A525 VanDerWaalsContact C-N 3.35Å; D523-A525 PolarHBondContact O-N 2.88Å; D523-Y526 PolarHBondContact O-N 2.85Å; D523-Y526 VanDerWaalsContact O-N 3.15Å; D523-D527 PolarHBondContact O-N 3.03Å
524	D	97.7	Very high	97.9	Very high	68 Å²	68	44.8 Å²	44.8	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-43.7	171.5	172.6	73.9	0	0	0	112	D521 Y526 D527 R528	D521-D524 HydrophobicContact CB-CB 4.12Å; D521-D524 WeakPolarHBondContact OD1-CB 3.46Å; D521-D524 PolarHBondContact OD1-N 3.01Å; D524-Y526 VanDerWaalsContact C-N 3.32Å; D524-Y526 PolarHBondContact O-N 3.22Å; D524-D527 PolarHBondContact O-N 3.19Å; D524-R528 WeakPolarHBondContact O-CG 3.33Å; D524-R528 PolarHBondContact O-N 2.83Å; D524-R528 IonicContact OD1-NE 3.43Å; D524-R528 PolarHBondContact OD1-NE 2.92Å; D524-R528 IonicContact OD2-CZ 3.82Å; D524-R528 VanDerWaalsContact OD2-CZ 3.26Å; D524-R528 IonicContact OD2-NE 2.78Å; D524-R528 PolarHBondContact OD2-NE 3.27Å; D524-R528 IonicContact OD2-NH2 2.77Å; D524-R528 PolarHBondContact OD2-NH2 3.29Å
525	A	98.3	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-41.1	176.1	0	0	0	0	0	112	W57 W460 Y464 D521 D523 L529	W57-A525 HydrophobicContact CZ3-CB 4.39Å; W460-A525 HydrophobicContact CH2-CB 4.16Å; W460-A525 HydrophobicContact CZ3-CB 4.24Å; Y464-A525 HydrophobicContact CD1-CB 4.49Å; Y464-A525 HydrophobicContact CE1-CB 3.81Å; Y464-A525 HydrophobicContact CE2-CB 4.24Å; D521-A525 WeakPolarHBondContact O-CB 3.38Å; D521-A525 PolarHBondContact O-N 2.99Å; D523-A525 VanDerWaalsContact C-N 3.35Å; D523-A525 PolarHBondContact O-N 2.88Å; A525-L529 WeakPolarHBondContact O-CB 3.37Å; A525-L529 PolarHBondContact O-N 3.28Å
526	Y	98.3	Very high	97.7	Very high	16 Å²	16	45.9 Å²	45.9	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-44.7	177.2	176.4	-97.3	0	0	0	111.4	P46 W460 R461 M522 D523 D524 R528 L529 T530 L546 Y547	P46-Y526 HydrophobicContact CG-CD1 4.5Å; P46-Y526 HydrophobicContact CG-CE1 4.1Å; W460-Y526 AromaticContact CZ2-CD2 3.93Å; W460-Y526 HydrophobicContact CZ2-CD2 3.93Å; R461-Y526 VanDerWaalsContact NH2-CD2 3.32Å; M522-Y526 WeakPolarHBondContact O-CB 3.47Å; M522-Y526 PolarHBondContact O-N 2.86Å; D523-Y526 PolarHBondContact O-N 2.85Å; D523-Y526 VanDerWaalsContact O-N 3.15Å; D524-Y526 VanDerWaalsContact C-N 3.32Å; D524-Y526 PolarHBondContact O-N 3.22Å; Y526-R528 PolarHBondContact O-N 3.19Å; Y526-L529 PolarHBondContact O-N 2.7Å; Y526-T530 HydrophobicContact CD1-CG2 4.3Å; Y526-T530 HydrophobicContact CD2-CG2 4.1Å; Y526-T530 HydrophobicContact CE1-CG2 3.96Å; Y526-T530 HydrophobicContact CE2-CG2 3.77Å; Y526-T530 HydrophobicContact CG-CG2 4.37Å; Y526-T530 WeakPolarHBondContact O-CB 3.42Å; Y526-T530 VanDerWaalsContact O-CG2 3.28Å; Y526-T530 WeakPolarHBondContact O-CG2 3.48Å; Y526-T530 PolarHBondContact O-N 3.25Å; Y526-T530 PolarHBondContact O-OG1 3.11Å; Y526-L546 HydrophobicContact CD2-CD2 4.06Å; Y526-L546 HydrophobicContact CE2-CB 4.12Å; Y526-L546 HydrophobicContact CE2-CD2 4.31Å; Y526-Y547 WeakPolarHBondContact OH-CB 3.49Å
527	D	96.8	Very high	97.5	Very high	64 Å²	64	45.2 Å²	45.2	34%	0.342	22%	0.222	S	C	.	.	H	α-helix	trans	-62.3	-42.5	179.3	-76.3	-5.8	0	0	0	112.1	D523 D524 T530 R531	D523-D527 PolarHBondContact O-N 3.03Å; D524-D527 PolarHBondContact O-N 3.19Å; D527-T530 PolarHBondContact O-OG1 3.44Å; D527-R531 VanDerWaalsContact O-CD 3.29Å; D527-R531 WeakPolarHBondContact O-CD 3.42Å; D527-R531 VanDerWaalsContact O-CG 3.27Å; D527-R531 WeakPolarHBondContact O-CG 3.45Å
528	R	98.1	Very high	97.3	Very high	17 Å²	17	43.5 Å²	43.5	6%	0.064	22%	0.215	C	C	.	.	H	α-helix	trans	-72.5	-41.4	176.6	-68	-175.4	-65.4	95.4	3	112.2	L56 W57 E511 D524 Y526 R531 H532	L56-R528 WeakPolarHBondContact O-CD 3.35Å; L56-R528 PolarHBondContact O-NH1 2.78Å; W57-R528 HydrophobicContact CE3-CB 4.19Å; W57-R528 VanDerWaalsContact CE3-NH1 3.31Å; E511-R528 IonicContact OE1-CZ 3.1Å; E511-R528 IonicContact OE1-NH1 4Å; E511-R528 PolarHBondContact OE1-NH1 3.19Å; E511-R528 IonicContact OE1-NH2 3.18Å; E511-R528 PolarHBondContact OE1-NH2 3.01Å; E511-R528 IonicContact OE2-CZ 3.76Å; E511-R528 IonicContact OE2-NH1 3.43Å; E511-R528 PolarHBondContact OE2-NH1 3.31Å; E511-R528 IonicContact OE2-NH2 2.73Å; D524-R528 WeakPolarHBondContact O-CG 3.33Å; D524-R528 PolarHBondContact O-N 2.83Å; D524-R528 IonicContact OD1-NE 3.43Å; D524-R528 PolarHBondContact OD1-NE 2.92Å; D524-R528 IonicContact OD2-CZ 3.82Å; D524-R528 VanDerWaalsContact OD2-CZ 3.26Å; D524-R528 IonicContact OD2-NE 2.78Å; D524-R528 PolarHBondContact OD2-NE 3.27Å; D524-R528 IonicContact OD2-NH2 2.77Å; D524-R528 PolarHBondContact OD2-NH2 3.29Å; Y526-R528 PolarHBondContact O-N 3.19Å; R528-R531 PolarHBondContact O-N 3.3Å; R528-H532 WeakPolarHBondContact O-CB 3.2Å; R528-H532 PolarHBondContact O-N 2.69Å
529	L	98.4	Very high	97.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.4	-37.6	-175.1	-171.5	53	0	0	0	112.9	W57 W460 P504 A525 Y526 R531 H532 R533 L546	W57-L529 HydrophobicContact CD2-CD1 3.79Å; W57-L529 HydrophobicContact CE3-CB 3.88Å; W57-L529 HydrophobicContact CE3-CD1 4Å; W57-L529 HydrophobicContact CE3-CG 4.47Å; W57-L529 HydrophobicContact CG-CD1 4.4Å; W57-L529 HydrophobicContact CH2-CB 3.97Å; W57-L529 HydrophobicContact CH2-CD1 4.03Å; W57-L529 HydrophobicContact CH2-CD2 3.85Å; W57-L529 HydrophobicContact CH2-CG 4.16Å; W57-L529 HydrophobicContact CZ2-CD1 3.81Å; W57-L529 HydrophobicContact CZ2-CD2 4.1Å; W57-L529 HydrophobicContact CZ2-CG 4.39Å; W57-L529 HydrophobicContact CZ3-CB 3.58Å; W57-L529 HydrophobicContact CZ3-CD1 4.13Å; W57-L529 HydrophobicContact CZ3-CD2 4.35Å; W57-L529 HydrophobicContact CZ3-CG 4.21Å; W460-L529 HydrophobicContact CD2-CD2 3.99Å; W460-L529 HydrophobicContact CE3-CD2 3.71Å; W460-L529 HydrophobicContact CZ3-CD2 4.05Å; P504-L529 HydrophobicContact CB-CD1 4.09Å; P504-L529 HydrophobicContact CB-CG 4.44Å; A525-L529 WeakPolarHBondContact O-CB 3.37Å; A525-L529 PolarHBondContact O-N 3.28Å; Y526-L529 PolarHBondContact O-N 2.7Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.31Å; L529-H532 HydrophobicContact CD1-CB 4.44Å; L529-H532 PolarHBondContact O-N 3.04Å; L529-R533 WeakPolarHBondContact O-CB 3.02Å; L529-R533 PolarHBondContact O-N 2.88Å; L529-L546 HydrophobicContact CB-CD2 4.01Å; L529-L546 HydrophobicContact CD2-CD2 3.78Å; L529-L546 HydrophobicContact CG-CD1 4.44Å; L529-L546 HydrophobicContact CG-CD2 3.77Å
530	T	97.7	Very high	97	Very high	31 Å²	31	39 Å²	39	19%	0.19	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-42.4	173.6	48.5	0	0	0	0	111.4	Y526 D527 R533 C534 L546	Y526-T530 HydrophobicContact CD1-CG2 4.3Å; Y526-T530 HydrophobicContact CD2-CG2 4.1Å; Y526-T530 HydrophobicContact CE1-CG2 3.96Å; Y526-T530 HydrophobicContact CE2-CG2 3.77Å; Y526-T530 HydrophobicContact CG-CG2 4.37Å; Y526-T530 WeakPolarHBondContact O-CB 3.42Å; Y526-T530 VanDerWaalsContact O-CG2 3.28Å; Y526-T530 WeakPolarHBondContact O-CG2 3.48Å; Y526-T530 PolarHBondContact O-N 3.25Å; Y526-T530 PolarHBondContact O-OG1 3.11Å; D527-T530 PolarHBondContact O-OG1 3.44Å; T530-R533 WeakPolarHBondContact O-CB 3.39Å; T530-R533 PolarHBondContact O-N 2.87Å; T530-C534 PolarHBondContact O-N 3.43Å; T530-C534 VanDerWaalsContact O-N 3.11Å; T530-L546 HydrophobicContact CG2-CB 4.39Å; T530-L546 HydrophobicContact CG2-CD1 4.33Å; T530-L546 HydrophobicContact CG2-CD2 4.07Å
531	R	96.1	Very high	97	Very high	66 Å²	66	34.3 Å²	34.3	25%	0.249	18%	0.178	C	C	.	.	H	α-helix	trans	-73.2	-37.8	178.3	-61	174	68.6	-142.3	-17.9	112.2	G53 P54 A55 D527 R528 L529 R533 C534 R535	G53-R531 VanDerWaalsContact C-NH2 3.29Å; G53-R531 PolarHBondContact O-NH2 3.35Å; P54-R531 PolarHBondContact O-NH1 3Å; A55-R531 HydrophobicContact CB-CB 3.43Å; A55-R531 VanDerWaalsContact CB-CB 3.43Å; A55-R531 HydrophobicContact CB-CG 4.45Å; D527-R531 VanDerWaalsContact O-CD 3.29Å; D527-R531 WeakPolarHBondContact O-CD 3.42Å; D527-R531 VanDerWaalsContact O-CG 3.27Å; D527-R531 WeakPolarHBondContact O-CG 3.45Å; R528-R531 PolarHBondContact O-N 3.3Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 3.31Å; R531-R533 VanDerWaalsContact C-N 3.32Å; R531-C534 PolarHBondContact O-N 2.84Å; R531-R535 PolarHBondContact O-N 3.02Å
532	H	97.9	Very high	96.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-39.9	171.1	-179.3	47.6	0	0	0	112	W57 N229 R528 L529 R535 M536	W57-H532 HydrophobicContact CB-CB 3.81Å; W57-H532 AromaticContact CD1-CD2 3.43Å; W57-H532 VanDerWaalsContact CD1-CD2 3.43Å; W57-H532 AromaticContact CD1-NE2 3.74Å; W57-H532 HydrophobicContact CG-CB 4.24Å; W57-H532 AromaticContact CG-CD2 3.56Å; W57-H532 AromaticContact CG-CG 3.93Å; N229-H532 PolarHBondContact ND2-NE2 2.76Å; N229-H532 PolarHBondContact OD1-NE2 2.86Å; R528-H532 WeakPolarHBondContact O-CB 3.2Å; R528-H532 PolarHBondContact O-N 2.69Å; L529-H532 HydrophobicContact CD1-CB 4.44Å; L529-H532 PolarHBondContact O-N 3.04Å; H532-R535 PolarHBondContact ND1-NH2 2.88Å; H532-R535 WeakPolarHBondContact O-CB 3.41Å; H532-R535 PolarHBondContact O-N 3Å; H532-M536 PolarHBondContact O-N 3.48Å
533	R	97.8	Very high	96.9	Very high	30 Å²	30	31 Å²	31	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-59.1	-46	173.4	178.5	-87	176.8	176.2	-3.7	111.3	P504 L529 T530 R531 R535 M536 V537 A543 Q544 L546 C551 E554	P504-R533 HydrophobicContact CB-CB 4.39Å; P504-R533 HydrophobicContact CG-CB 4.32Å; P504-R533 HydrophobicContact CG-CG 4.16Å; L529-R533 WeakPolarHBondContact O-CB 3.02Å; L529-R533 PolarHBondContact O-N 2.88Å; T530-R533 WeakPolarHBondContact O-CB 3.39Å; T530-R533 PolarHBondContact O-N 2.87Å; R531-R533 VanDerWaalsContact C-N 3.32Å; R533-R535 VanDerWaalsContact C-N 3.34Å; R533-R535 PolarHBondContact O-N 3.09Å; R533-M536 HydrophobicContact CB-CE 4.48Å; R533-M536 WeakPolarHBondContact O-CB 3.35Å; R533-M536 PolarHBondContact O-N 2.86Å; R533-V537 WeakPolarHBondContact O-CG2 3.45Å; R533-V537 PolarHBondContact O-N 3.22Å; R533-A543 HydrophobicContact CG-CB 3.98Å; R533-A543 VanDerWaalsContact CZ-O 3.31Å; R533-A543 PolarHBondContact NE-O 3.26Å; R533-A543 PolarHBondContact NH2-O 3.41Å; R533-Q544 WeakPolarHBondContact CG-O 3.31Å; R533-Q544 PolarHBondContact NE-O 3.39Å; R533-L546 HydrophobicContact CB-CD1 3.9Å; R533-L546 HydrophobicContact CG-CD1 4.11Å; R533-C551 PolarHBondContact NH1-SG 2.98Å; R533-E554 IonicContact NH1-OE1 3.19Å
534	C	95.8	Very high	96.9	Very high	25 Å²	25	28.9 Å²	28.9	17%	0.169	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-44.7	175.3	-68	0	0	0	0	111.9	T530 R531 M536 V537 E538 C551	T530-C534 PolarHBondContact O-N 3.43Å; T530-C534 VanDerWaalsContact O-N 3.11Å; R531-C534 PolarHBondContact O-N 2.84Å; C534-M536 VanDerWaalsContact C-N 3.3Å; C534-M536 PolarHBondContact O-N 2.84Å; C534-V537 WeakPolarHBondContact O-CB 3.27Å; C534-V537 PolarHBondContact O-N 2.58Å; C534-V537 VanDerWaalsContact O-N 3.11Å; C534-E538 WeakPolarHBondContact O-CG 3.21Å; C534-E538 PolarHBondContact O-N 2.76Å; C534-C551 WeakPolarHBondContact CA-SG 3.29Å; C534-C551 HydrophobicContact CB-CB 3.72Å; C534-C551 WeakPolarHBondContact CB-SG 3.24Å; C534-C551 WeakPolarHBondContact SG-CB 3.31Å; C534-C551 CovalentContact SG-SG 2.03Å; C534-C551 PolarHBondContact SG-SG 3.03Å
535	R	95.4	Very high	96.9	Very high	26 Å²	26	29.4 Å²	29.4	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-37.2	175.1	179.5	171.2	61.4	-120.5	2.2	112.9	A55 Q177 R531 H532 R533 R539	A55-R535 VanDerWaalsContact O-CZ 3.3Å; A55-R535 PolarHBondContact O-NH1 3Å; A55-R535 PolarHBondContact O-NH2 3.25Å; Q177-R535 VanDerWaalsContact CG-CZ 3.42Å; Q177-R535 VanDerWaalsContact CG-NH2 3.32Å; Q177-R535 VanDerWaalsContact NE2-NH2 3.19Å; R531-R535 PolarHBondContact O-N 3.02Å; H532-R535 PolarHBondContact ND1-NH2 2.88Å; H532-R535 WeakPolarHBondContact O-CB 3.41Å; H532-R535 PolarHBondContact O-N 3Å; R533-R535 VanDerWaalsContact C-N 3.34Å; R533-R535 PolarHBondContact O-N 3.09Å; R535-R539 WeakPolarHBondContact O-CB 3.42Å; R535-R539 VanDerWaalsContact O-CG 3.3Å; R535-R539 WeakPolarHBondContact O-CG 3.4Å; R535-R539 PolarHBondContact O-N 2.87Å
536	M	96.8	Very high	96.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-45.3	173.5	-79.2	-166.6	-69.9	0	0	111.4	N229 W503 P504 H532 R533 C534 R539 G540 I541 A543	N229-M536 PolarHBondContact ND2-SD 3.06Å; W503-M536 HydrophobicContact CB-CE 4.33Å; W503-M536 HydrophobicContact CB-SD 4.28Å; W503-M536 HydrophobicContact CE3-SD 4.38Å; W503-M536 HydrophobicContact CG-SD 4.48Å; P504-M536 HydrophobicContact CB-CE 3.74Å; H532-M536 PolarHBondContact O-N 3.48Å; R533-M536 HydrophobicContact CB-CE 4.48Å; R533-M536 WeakPolarHBondContact O-CB 3.35Å; R533-M536 PolarHBondContact O-N 2.86Å; C534-M536 VanDerWaalsContact C-N 3.3Å; C534-M536 PolarHBondContact O-N 2.84Å; M536-R539 CarbonylContact O-C 3.55Å; M536-R539 PolarHBondContact O-N 3.04Å; M536-G540 PolarHBondContact O-N 3.1Å; M536-I541 CarbonylContact C-O 3.23Å; M536-I541 HydrophobicContact CB-CB 4.07Å; M536-I541 HydrophobicContact CB-CG2 4.43Å; M536-I541 WeakPolarHBondContact O-CA 3.24Å; M536-I541 WeakPolarHBondContact O-CB 3.23Å; M536-I541 PolarHBondContact O-N 2.7Å; M536-A543 HydrophobicContact CB-CB 4.24Å; M536-A543 HydrophobicContact CE-CB 3.99Å
537	V	95.7	Very high	96.9	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.085	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-45.4	176	175.1	0	0	0	0	111.2	R533 C534 R539 G540 I541 A543 H553	R533-V537 WeakPolarHBondContact O-CG2 3.45Å; R533-V537 PolarHBondContact O-N 3.22Å; C534-V537 WeakPolarHBondContact O-CB 3.27Å; C534-V537 PolarHBondContact O-N 2.58Å; C534-V537 VanDerWaalsContact O-N 3.11Å; V537-R539 VanDerWaalsContact C-N 3.29Å; V537-R539 PolarHBondContact O-N 3.18Å; V537-G540 WeakPolarHBondContact O-CA 3.46Å; V537-G540 PolarHBondContact O-N 3.24Å; V537-I541 VanDerWaalsContact CA-O 3.23Å; V537-I541 WeakPolarHBondContact CA-O 3.38Å; V537-I541 PolarHBondContact N-O 3.48Å; V537-A543 HydrophobicContact CG2-CB 4.49Å; V537-H553 WeakPolarHBondContact CG1-O 3.21Å
538	E	93.4	Very high	96.9	Very high	57 Å²	57	34 Å²	34	27%	0.266	19%	0.194	S	C	.	.	H	α-helix	trans	-54.1	-47.9	173.7	-73.9	162.9	-166.6	0	0	110.6	F108 C534 G540 H553	F108-E538 WeakPolarHBondContact CE1-O 3.31Å; F108-E538 HydrophobicContact CE2-CB 4.27Å; F108-E538 HydrophobicContact CZ-CB 4.45Å; F108-E538 WeakPolarHBondContact CZ-O 3.24Å; C534-E538 WeakPolarHBondContact O-CG 3.21Å; C534-E538 PolarHBondContact O-N 2.76Å; E538-G540 PolarHBondContact O-N 2.99Å; E538-H553 HydrophobicContact CG-CB 3.89Å; E538-H553 IonicContact OE1-CD2 2.8Å
539	R	95.3	Very high	96.7	Very high	28 Å²	28	36.5 Å²	36.5	11%	0.106	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	12.4	176.2	-65	176.9	-176.3	-173.7	-0.6	114.6	Y104 E173 S176 F228 R535 M536 V537 I541	Y104-R539 HydrophobicContact CD1-CG 3.98Å; Y104-R539 HydrophobicContact CG-CG 4.45Å; E173-R539 IonicContact OE1-CZ 3.91Å; E173-R539 IonicContact OE1-NH1 3.43Å; E173-R539 PolarHBondContact OE1-NH1 3.06Å; E173-R539 VanDerWaalsContact OE1-NH1 3.13Å; E173-R539 IonicContact OE1-NH2 3.78Å; E173-R539 IonicContact OE2-CZ 3.92Å; E173-R539 IonicContact OE2-NH1 3.81Å; E173-R539 PolarHBondContact OE2-NH1 3.13Å; S176-R539 PolarHBondContact OG-NH2 2.85Å; F228-R539 VanDerWaalsContact CD1-NH1 3.3Å; F228-R539 HydrophobicContact CE2-CB 3.9Å; F228-R539 HydrophobicContact CZ-CB 4.24Å; R535-R539 WeakPolarHBondContact O-CB 3.42Å; R535-R539 VanDerWaalsContact O-CG 3.3Å; R535-R539 WeakPolarHBondContact O-CG 3.4Å; R535-R539 PolarHBondContact O-N 2.87Å; M536-R539 CarbonylContact O-C 3.55Å; M536-R539 PolarHBondContact O-N 3.04Å; V537-R539 VanDerWaalsContact C-N 3.29Å; V537-R539 PolarHBondContact O-N 3.18Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 3.41Å
540	G	95	Very high	96.5	Very high	30 Å²	30	45 Å²	45	31%	0.309	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	9.5	175.9	0	0	0	0	0	114.5	K221 M536 V537 E538	K221-G540 WeakPolarHBondContact CE-O 3.25Å; K221-G540 PolarHBondContact NZ-O 3.35Å; M536-G540 PolarHBondContact O-N 3.1Å; V537-G540 WeakPolarHBondContact O-CA 3.46Å; V537-G540 PolarHBondContact O-N 3.24Å; E538-G540 PolarHBondContact O-N 2.99Å
541	I	97.6	Very high	96.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.253	C	S	.	.			trans	-89.5	109.8	172.8	-52.7	-57.2	0	0	0	108.4	K221 A225 F228 T499 W503 M536 V537 R539 A543	K221-I541 HydrophobicContact CD-CD1 4.32Å; K221-I541 HydrophobicContact CG-CD1 3.51Å; A225-I541 HydrophobicContact CB-CD1 4.1Å; A225-I541 HydrophobicContact CB-CG1 4.12Å; A225-I541 HydrophobicContact CB-CG2 4.02Å; F228-I541 HydrophobicContact CD2-CG1 4.23Å; F228-I541 HydrophobicContact CE2-CD1 4.43Å; F228-I541 HydrophobicContact CE2-CG1 3.88Å; T499-I541 HydrophobicContact CG2-CG2 3.71Å; W503-I541 HydrophobicContact CB-CG2 4.43Å; W503-I541 HydrophobicContact CG-CG2 4.27Å; M536-I541 CarbonylContact C-O 3.23Å; M536-I541 HydrophobicContact CB-CB 4.07Å; M536-I541 HydrophobicContact CB-CG2 4.43Å; M536-I541 WeakPolarHBondContact O-CA 3.24Å; M536-I541 WeakPolarHBondContact O-CB 3.23Å; M536-I541 PolarHBondContact O-N 2.7Å; V537-I541 VanDerWaalsContact CA-O 3.23Å; V537-I541 WeakPolarHBondContact CA-O 3.38Å; V537-I541 PolarHBondContact N-O 3.48Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 3.41Å; I541-A543 PolarHBondContact O-N 2.84Å
542	A	97.4	Very high	95.4	Very high	57 Å²	57	47.3 Å²	47.3	47%	0.471	28%	0.275	S	S	.	.			trans	-71.8	63	-178.6	0	0	0	0	0	112.6	T499 P500	T499-A542 HydrophobicContact CG2-CB 4.26Å; P500-A542 VanDerWaalsContact CA-O 3.28Å; P500-A542 WeakPolarHBondContact CA-O 3.43Å; P500-A542 WeakPolarHBondContact CB-O 3.19Å
543	A	98.2	Very high	93.9	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.017	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-72.7	134	179	0	0	0	0	0	110.7	W503 R533 M536 V537 I541	W503-A543 HydrophobicContact CB-CB 3.79Å; W503-A543 CarbonylContact O-C 3.52Å; W503-A543 VanDerWaalsContact O-CA 3.23Å; W503-A543 WeakPolarHBondContact O-CA 3.33Å; R533-A543 HydrophobicContact CG-CB 3.98Å; R533-A543 VanDerWaalsContact CZ-O 3.31Å; R533-A543 PolarHBondContact NE-O 3.26Å; R533-A543 PolarHBondContact NH2-O 3.41Å; M536-A543 HydrophobicContact CB-CB 4.24Å; M536-A543 HydrophobicContact CE-CB 3.99Å; V537-A543 HydrophobicContact CG2-CB 4.49Å; I541-A543 PolarHBondContact O-N 2.84Å
544	Q	97.9	Very high	92.1	Very high	70 Å²	70	53.7 Å²	53.7	33%	0.327	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-68.7	155.8	-178.6	71.2	-179.8	14	0	0	112.1	P500 W503 P504 R533	P500-Q544 HydrophobicContact CB-CB 4.21Å; P500-Q544 WeakPolarHBondContact O-CB 3.43Å; P500-Q544 WeakPolarHBondContact O-CG 3.33Å; P500-Q544 PolarHBondContact O-OE1 2.59Å; W503-Q544 PolarHBondContact O-N 3.49Å; P504-Q544 WeakPolarHBondContact CD-O 3.36Å; R533-Q544 WeakPolarHBondContact CG-O 3.31Å; R533-Q544 PolarHBondContact NE-O 3.39Å
545	P	98	Very high	89.9	Confident	78 Å²	78	60.4 Å²	60.4	51%	0.506	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-63.2	152.8	173.2	-19.1	31.6	0	0	0	112.3
546	L	97.8	Very high	87.3	Confident	20 Å²	20	66.4 Å²	66.4	11%	0.105	37%	0.371	C	S	.	.	S	Bend	trans	-84	-35.2	169.6	-71.5	77.5	0	0	0	111.7	W460 P504 Y526 L529 T530 R533	W460-L546 HydrophobicContact CD2-CD2 4.42Å; W460-L546 HydrophobicContact CZ2-CD2 4.23Å; P504-L546 HydrophobicContact CG-CD1 3.55Å; P504-L546 HydrophobicContact CG-CG 4.12Å; Y526-L546 HydrophobicContact CD2-CD2 4.06Å; Y526-L546 HydrophobicContact CE2-CB 4.12Å; Y526-L546 HydrophobicContact CE2-CD2 4.31Å; L529-L546 HydrophobicContact CB-CD2 4.01Å; L529-L546 HydrophobicContact CD2-CD2 3.78Å; L529-L546 HydrophobicContact CG-CD1 4.44Å; L529-L546 HydrophobicContact CG-CD2 3.77Å; T530-L546 HydrophobicContact CG2-CB 4.39Å; T530-L546 HydrophobicContact CG2-CD1 4.33Å; T530-L546 HydrophobicContact CG2-CD2 4.07Å; R533-L546 HydrophobicContact CB-CD1 3.9Å; R533-L546 HydrophobicContact CG-CD1 4.11Å
547	Y	97.5	Very high	86.8	Confident	77 Å²	77	69.7 Å²	69.7	30%	0.302	39%	0.389	S	S	.	.	S	Bend	trans	-163.5	-174.1	-178.6	-162	-110	0	0	0	108.8	A42 A45 Y526	A42-Y547 VanDerWaalsContact CA-OH 3.23Å; A42-Y547 WeakPolarHBondContact CA-OH 3.25Å; A45-Y547 HydrophobicContact CB-CD1 4.06Å; A45-Y547 HydrophobicContact CB-CE1 3.42Å; A45-Y547 VanDerWaalsContact CB-CE1 3.42Å; Y526-Y547 WeakPolarHBondContact OH-CB 3.49Å
548	A	96.8	Very high	86.4	Confident	80 Å²	80	72.6 Å²	72.6	66%	0.661	41%	0.405	S	S	*	.	S	Bend	trans	-57.8	139.3	171.3	0	0	0	0	0	111.8
549	G	93.8	Very high	86	Confident	69 Å²	69	73.4 Å²	73.4	71%	0.711	41%	0.413	S	S	*	.			trans	162	-170	-176	0	0	0	0	0	109.9
550	Y	93.9	Very high	85.4	Confident	179 Å²	179	76.1 Å²	76.1	70%	0.702	43%	0.431	S	S	*	.			trans	-149.4	154.5	174.7	73.9	-76.1	0	0	0	110.7
551	C	89.4	Confident	84.8	Confident	13 Å²	13	79 Å²	79	9%	0.088	44%	0.439	C	S	.	.			trans	-109.9	155.3	162.9	-52.9	0	0	0	0	109.5	R533 C534 H553 E554	R533-C551 PolarHBondContact NH1-SG 2.98Å; C534-C551 WeakPolarHBondContact CA-SG 3.29Å; C534-C551 HydrophobicContact CB-CB 3.72Å; C534-C551 WeakPolarHBondContact CB-SG 3.24Å; C534-C551 WeakPolarHBondContact SG-CB 3.31Å; C534-C551 CovalentContact SG-SG 2.03Å; C534-C551 PolarHBondContact SG-SG 3.03Å; C551-H553 PolarHBondContact O-N 2.98Å; C551-E554 HydrophobicContact CB-CG 3.9Å; C551-E554 PolarHBondContact N-OE1 2.72Å; C551-E554 WeakPolarHBondContact O-CG 3.26Å
552	N	81.5	Confident	84	Confident	133 Å²	133	84 Å²	84	71%	0.711	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.1	178.2	-69.5	-26.3	0	0	0	113
553	H	67.5	Low	83	Confident	65 Å²	65	85.9 Å²	85.9	30%	0.301	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	57.6	-171	-63	-77	0	0	0	113.5	V537 E538 C551 M556	V537-H553 WeakPolarHBondContact CG1-O 3.21Å; E538-H553 HydrophobicContact CG-CB 3.89Å; E538-H553 IonicContact OE1-CD2 2.8Å; C551-H553 PolarHBondContact O-N 2.98Å; H553-M556 HydrophobicContact CB-CE 3.62Å
554	E	60	Low	81.9	Confident	99 Å²	99	92.4 Å²	92.4	46%	0.463	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.7	-175.5	-67.4	-164.1	161.6	0	0	116	R533 C551	R533-E554 IonicContact NH1-OE1 3.19Å; C551-E554 HydrophobicContact CB-CG 3.9Å; C551-E554 PolarHBondContact N-OE1 2.72Å; C551-E554 WeakPolarHBondContact O-CG 3.26Å
555	N	48.4	Very low	80.5	Confident	167 Å²	167	94.3 Å²	94.3	89%	0.893	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	35.5	-172.5	-76.8	-18.2	0	0	0	114.9
556	M	41.8	Very low	78.9	Confident	151 Å²	151	95.7 Å²	95.7	74%	0.744	52%	0.516	S	S	*	.			trans	-104.5	0	177.4	-70.1	-163.4	-75	0	0	114.3	F108 H553	F108-M556 HydrophobicContact CD1-CE 3.56Å; F108-M556 HydrophobicContact CD1-SD 4.04Å; F108-M556 HydrophobicContact CE1-CE 3.72Å; F108-M556 HydrophobicContact CE1-SD 4.19Å; H553-M556 HydrophobicContact CB-CE 3.62Å

Retrieved 556 of 556 residues in 1307.8 ms (Link to these results)

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