A0A087Y7W5_POEFO Loading...

Alkylglycerone-phosphate synthase

Catalyzes the exchange of an acyl for a long-chain alkyl group and the formation of the ether bond in the biosynthesis of ether phospholipids. Catalyzes the exchange of the acyl chain in acyl-dihydroxyacetonephosphate (acyl-DHAP) for a long chain fatty alcohol, yielding the first ether linked intermediate, i.e. alkyl-dihydroxyacetonephosphate (alkyl-DHAP), in the pathway of ether lipid biosynthesis.

AlphaFold DB , UniProt , Accession A0A087Y7W5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 637 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.6	Very low	38.7	Very low	248 Å²	248	122.3 Å²	122.3	100%	1.222	77%	0.769	S	S	*	*				0	119.3	0	-78.8	-179.6	179	0	0	108
2	A	32.9	Very low	39.3	Very low	94 Å²	94	126.2 Å²	126.2	78%	0.777	76%	0.758	S	S	*	*			trans	-66.3	159.9	169.8	0	0	0	0	0	110.3
3	S	32.7	Very low	39.8	Very low	106 Å²	106	126 Å²	126	74%	0.741	74%	0.744	S	S	*	*				175.2	126.8	71.2	49.9	0	0	0	0	107.3
4	N	33.2	Very low	40.3	Very low	158 Å²	158	127.2 Å²	127.2	85%	0.845	74%	0.739	S	S	*	*				101.1	105.5	87.9	-88.2	5.5	0	0	0	114.4
5	S	38.4	Very low	41	Very low	123 Å²	123	123.5 Å²	123.5	86%	0.86	72%	0.719	S	S	*	*			trans	-94.8	121.1	159.1	51.9	0	0	0	0	109.5
6	S	38.7	Very low	41.3	Very low	120 Å²	120	118.6 Å²	118.6	84%	0.839	70%	0.697	S	S	*	*			trans	-150.2	101.5	169.1	60.4	0	0	0	0	109.7
7	G	36.2	Very low	41.4	Very low	76 Å²	76	123.1 Å²	123.1	78%	0.784	70%	0.699	S	S	*	*	S	Bend	trans	-160.6	-21.3	178.4	0	0	0	0	0	116
8	D	43.9	Very low	41.6	Very low	100 Å²	100	123.7 Å²	123.7	54%	0.535	70%	0.695	S	S	.	*	S	Bend	trans	-111.8	-4.2	-169.7	-155.5	34.9	0	0	0	115.3	R12	D8-R12 IonicContact OD2-CZ 3.77Å; D8-R12 IonicContact OD2-NE 3.37Å; D8-R12 IonicContact OD2-NH2 3.66Å; D8-R12 PolarHBondContact OD2-NH2 3.18Å
9	E	39.3	Very low	41.7	Very low	163 Å²	163	126.4 Å²	126.4	76%	0.762	69%	0.693	S	S	*	*	H	α-helix	trans	-84.9	-21	-178.8	-78.3	-175.9	150.7	0	0	114.2	H13	E9-H13 PolarHBondContact O-N 3.45Å
10	S	47.6	Very low	41.6	Very low	87 Å²	87	125.9 Å²	125.9	61%	0.608	69%	0.688	S	S	*	*	H	α-helix	trans	-69.8	-43	-175.4	170.9	0	0	0	0	113.3	H13 Q14	S10-H13 PolarHBondContact O-N 3.28Å; S10-Q14 PolarHBondContact O-N 3.37Å
11	S	47.1	Very low	41.7	Very low	70 Å²	70	123.2 Å²	123.2	49%	0.49	68%	0.679	S	S	.	*	H	α-helix	trans	-72.1	-37.5	-177	131.9	0	0	0	0	112.3	H13 Q14 T15	S11-H13 PolarHBondContact O-N 3.13Å; S11-Q14 PolarHBondContact O-N 2.85Å; S11-T15 PolarHBondContact O-N 3.09Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 2.69Å
12	R	45.8	Very low	41.9	Very low	169 Å²	169	115.1 Å²	115.1	64%	0.638	64%	0.643	S	S	*	*	H	α-helix	trans	-68	-35.2	177.7	-64.1	-173.9	-165.5	-164.2	7.4	111.9	D8 A16	D8-R12 IonicContact OD2-CZ 3.77Å; D8-R12 IonicContact OD2-NE 3.37Å; D8-R12 IonicContact OD2-NH2 3.66Å; D8-R12 PolarHBondContact OD2-NH2 3.18Å; R12-A16 WeakPolarHBondContact O-CB 3.44Å; R12-A16 PolarHBondContact O-N 2.99Å
13	H	45.7	Very low	42.3	Very low	124 Å²	124	115.2 Å²	115.2	57%	0.574	63%	0.63	S	S	*	*	H	α-helix	trans	-72.5	-34.2	176.6	-98.2	-43.4	0	0	0	114.1	E9 S10 S11 R17	E9-H13 PolarHBondContact O-N 3.45Å; S10-H13 PolarHBondContact O-N 3.28Å; S11-H13 PolarHBondContact O-N 3.13Å; H13-R17 WeakPolarHBondContact O-CB 3.38Å; H13-R17 PolarHBondContact O-N 3.2Å
14	Q	47.4	Very low	42.6	Very low	143 Å²	143	113.7 Å²	113.7	67%	0.668	62%	0.624	S	S	*	*	H	α-helix	trans	-66.3	-42.6	172.5	-94.3	177.2	-20.1	0	0	111.8	S10 S11 A16 R17 H18	S10-Q14 PolarHBondContact O-N 3.37Å; S11-Q14 PolarHBondContact O-N 2.85Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 2.59Å; Q14-R17 PolarHBondContact O-N 3.32Å; Q14-H18 PolarHBondContact O-N 2.92Å; Q14-H18 VanDerWaalsContact O-N 3.07Å
15	T	50	Low	42.9	Very low	72 Å²	72	109.3 Å²	109.3	44%	0.442	62%	0.616	S	S	.	*	H	α-helix	trans	-66.8	-36.9	179	-47.9	0	0	0	0	111.7	S11 R19	S11-T15 PolarHBondContact O-N 3.09Å; S11-T15 VanDerWaalsContact O-N 3.14Å; S11-T15 PolarHBondContact O-OG1 2.69Å; T15-R19 WeakPolarHBondContact O-CG 3.3Å; T15-R19 PolarHBondContact O-N 2.79Å; T15-R19 VanDerWaalsContact O-N 3.11Å
16	A	46.3	Very low	43	Very low	44 Å²	44	110.1 Å²	110.1	36%	0.364	61%	0.606	S	S	.	*	H	α-helix	trans	-70.8	-38	176.3	0	0	0	0	0	113.1	R12 Q14 R19 L20	R12-A16 WeakPolarHBondContact O-CB 3.44Å; R12-A16 PolarHBondContact O-N 2.99Å; Q14-A16 VanDerWaalsContact C-N 3.35Å; Q14-A16 PolarHBondContact O-N 2.59Å; A16-R19 PolarHBondContact O-N 2.87Å; A16-L20 PolarHBondContact O-N 3.48Å; A16-L20 VanDerWaalsContact O-N 3.11Å
17	R	43.1	Very low	42.7	Very low	195 Å²	195	111.1 Å²	111.1	74%	0.736	60%	0.601	S	S	*	*	H	α-helix	trans	-67.3	-35.8	175.2	-82.6	-179.2	168.7	149.8	-1.6	112.4	H13 Q14 L20 S21	H13-R17 WeakPolarHBondContact O-CB 3.38Å; H13-R17 PolarHBondContact O-N 3.2Å; Q14-R17 PolarHBondContact O-N 3.32Å; R17-L20 PolarHBondContact O-N 3.23Å; R17-S21 PolarHBondContact O-N 2.81Å
18	H	44.1	Very low	42.7	Very low	134 Å²	134	116.6 Å²	116.6	62%	0.62	61%	0.606	S	S	*	*	H	α-helix	trans	-69.9	-37.6	175.1	-164.1	55.5	0	0	0	112.3	Q14 L20 S21 V22	Q14-H18 PolarHBondContact O-N 2.92Å; Q14-H18 VanDerWaalsContact O-N 3.07Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 3.44Å; H18-S21 PolarHBondContact O-N 2.87Å; H18-S21 PolarHBondContact O-OG 3.43Å; H18-V22 WeakPolarHBondContact O-CG2 3.46Å; H18-V22 PolarHBondContact O-N 2.89Å
19	R	44.5	Very low	42.2	Very low	176 Å²	176	123.1 Å²	123.1	66%	0.664	62%	0.624	S	S	*	*	H	α-helix	trans	-63.5	-35.3	172.4	-76.7	178	174	179.8	-1.3	112.9	T15 A16 I23	T15-R19 WeakPolarHBondContact O-CG 3.3Å; T15-R19 PolarHBondContact O-N 2.79Å; T15-R19 VanDerWaalsContact O-N 3.11Å; A16-R19 PolarHBondContact O-N 2.87Å; R19-I23 WeakPolarHBondContact O-CD1 3.47Å; R19-I23 VanDerWaalsContact O-CG1 3.29Å; R19-I23 WeakPolarHBondContact O-CG1 3.24Å; R19-I23 PolarHBondContact O-N 3.3Å
20	L	40.4	Very low	41.9	Very low	115 Å²	115	121.2 Å²	121.2	60%	0.602	63%	0.625	S	S	*	*	H	α-helix	trans	-72.4	-32.5	177.8	-78.3	162.9	0	0	0	113.2	A16 R17 H18 V22 I23 A24	A16-L20 PolarHBondContact O-N 3.48Å; A16-L20 VanDerWaalsContact O-N 3.11Å; R17-L20 PolarHBondContact O-N 3.23Å; H18-L20 VanDerWaalsContact C-N 3.32Å; H18-L20 PolarHBondContact O-N 3.44Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-I23 PolarHBondContact O-N 3.18Å; L20-A24 PolarHBondContact O-N 3.3Å; L20-A24 VanDerWaalsContact O-N 3.1Å
21	S	42	Very low	41.2	Very low	71 Å²	71	123.2 Å²	123.2	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-70	-31.8	175.1	63.6	0	0	0	0	112.8	R17 H18	R17-S21 PolarHBondContact O-N 2.81Å; H18-S21 PolarHBondContact O-N 2.87Å; H18-S21 PolarHBondContact O-OG 3.43Å
22	V	41.2	Very low	40.3	Very low	77 Å²	77	127.6 Å²	127.6	47%	0.467	65%	0.652	S	S	.	*	H	α-helix	trans	-72.8	-35.2	175.9	176	0	0	0	0	111.6	H18 L20 H26	H18-V22 WeakPolarHBondContact O-CG2 3.46Å; H18-V22 PolarHBondContact O-N 2.89Å; L20-V22 VanDerWaalsContact C-N 3.35Å; V22-H26 PolarHBondContact O-ND1 3.42Å
23	I	40.4	Very low	39.6	Very low	96 Å²	96	130.9 Å²	130.9	49%	0.492	66%	0.664	S	S	.	*	H	α-helix	trans	-72.6	-34.6	176.8	-67.5	167.4	0	0	0	111.8	R19 L20 G25 H26	R19-I23 WeakPolarHBondContact O-CD1 3.47Å; R19-I23 VanDerWaalsContact O-CG1 3.29Å; R19-I23 WeakPolarHBondContact O-CG1 3.24Å; R19-I23 PolarHBondContact O-N 3.3Å; L20-I23 PolarHBondContact O-N 3.18Å; I23-G25 PolarHBondContact O-N 3.13Å; I23-H26 PolarHBondContact O-N 3.26Å
24	A	40.2	Very low	38.7	Very low	74 Å²	74	132.9 Å²	132.9	61%	0.612	68%	0.679	S	S	*	*	H	α-helix	trans	-63.1	-28.5	177.4	0	0	0	0	0	113.2	L20 H26	L20-A24 PolarHBondContact O-N 3.3Å; L20-A24 VanDerWaalsContact O-N 3.1Å; A24-H26 PolarHBondContact O-N 3.01Å
25	G	38.6	Very low	37.9	Very low	67 Å²	67	130.9 Å²	130.9	69%	0.691	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-13.9	173.1	0	0	0	0	0	114.7	I23	I23-G25 PolarHBondContact O-N 3.13Å
26	H	39.4	Very low	36.7	Very low	139 Å²	139	131.6 Å²	131.6	64%	0.644	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-0.2	-172	-79.8	71.5	0	0	0	114.9	V22 I23 A24	V22-H26 PolarHBondContact O-ND1 3.42Å; I23-H26 PolarHBondContact O-N 3.26Å; A24-H26 PolarHBondContact O-N 3.01Å
27	L	33.7	Very low	36.2	Very low	142 Å²	142	138.1 Å²	138.1	74%	0.743	73%	0.728	S	S	*	*			trans	-109.7	13.1	-171.6	-81.8	171.5	0	0	0	116.5	R29	L27-R29 PolarHBondContact O-N 3.14Å
28	Q	36	Very low	35.4	Very low	190 Å²	190	136.2 Å²	136.2	89%	0.888	73%	0.732	S	S	*	*			trans	-93.9	101.6	169	-72.7	-174.9	-9	0	0	110.8
29	R	32.9	Very low	34.7	Very low	238 Å²	238	134.4 Å²	134.4	90%	0.898	74%	0.74	S	S	*	*			trans	-92.4	149.5	163.6	-86.8	-174	177.7	179.3	-0.1	110.4	L27	L27-R29 PolarHBondContact O-N 3.14Å
30	P	34.2	Very low	33.8	Very low	122 Å²	122	132.4 Å²	132.4	79%	0.792	75%	0.747	S	S	*	*			trans	-88.2	135.7	-171.7	33.7	-29.4	0	0	0	111.5
31	T	31.6	Very low	33.1	Very low	130 Å²	130	133 Å²	133	80%	0.798	75%	0.751	S	S	*	*			trans	-130.1	125.2	159.4	38.1	0	0	0	0	109.9
32	D	29	Very low	32.3	Very low	161 Å²	161	135.8 Å²	135.8	86%	0.861	77%	0.769	S	S	*	*			trans	63.5	132.5	157	-60.4	-28.6	0	0	0	123.4
33	R	31.6	Very low	31.5	Very low	239 Å²	239	140.6 Å²	140.6	90%	0.902	78%	0.783	S	S	*	*			trans	-66.5	132.2	-178.3	-66.9	171.2	169.3	-179.4	-3.7	111.7
34	N	26.4	Very low	30.9	Very low	166 Å²	166	140.7 Å²	140.7	89%	0.888	80%	0.798	S	S	*	*				-166.4	151.2	125.7	-104.7	-22.8	0	0	0	111.9
35	A	29.8	Very low	30.4	Very low	100 Å²	100	146.5 Å²	146.5	83%	0.826	81%	0.813	S	S	*	*			trans	-60.9	134.7	-166.7	0	0	0	0	0	115.7
36	A	25.6	Very low	29.7	Very low	87 Å²	87	147.3 Å²	147.3	72%	0.719	82%	0.821	S	S	*	*			trans	-174	117.4	134.7	0	0	0	0	0	109.2	L38	A36-L38 PolarHBondContact O-N 3.33Å
37	L	35.5	Very low	29	Very low	182 Å²	182	146.2 Å²	146.2	95%	0.953	83%	0.829	S	S	*	*			trans	-57.8	119.1	164.5	-81.6	142.7	0	0	0	109.2
38	L	26.2	Very low	28.6	Very low	155 Å²	155	149 Å²	149	81%	0.812	84%	0.835	S	S	*	*			trans	-135.3	120.5	161.2	-76.8	174.7	0	0	0	109.6	A36 V40	A36-L38 PolarHBondContact O-N 3.33Å; L38-V40 PolarHBondContact O-N 2.83Å
39	A	28.7	Very low	28.2	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	83%	0.828	S	S	*	*			trans	-55.9	128.9	170.4	0	0	0	0	0	109.9	D41	A39-D41 PolarHBondContact O-N 3.32Å
40	V	26.7	Very low	27.7	Very low	134 Å²	134	141.4 Å²	141.4	81%	0.812	83%	0.825	S	S	*	*			trans	-89.7	101.1	168.8	179.7	0	0	0	0	107.4	L38 C42	L38-V40 PolarHBondContact O-N 2.83Å; V40-C42 PolarHBondContact O-N 2.92Å
41	D	24.6	Very low	27.7	Very low	127 Å²	127	141.5 Å²	141.5	68%	0.679	82%	0.823	S	S	*	*			trans	-62.4	108.9	169.4	-90.6	-21.8	0	0	0	110.4	A39 K43	A39-D41 PolarHBondContact O-N 3.32Å; D41-K43 PolarHBondContact O-N 2.93Å
42	C	26.1	Very low	27.7	Very low	129 Å²	129	142.5 Å²	142.5	87%	0.872	82%	0.823	S	S	*	*			trans	-79.3	86.5	161.3	-90.6	0	0	0	0	109.4	V40 A44	V40-C42 PolarHBondContact O-N 2.92Å; C42-A44 PolarHBondContact O-N 2.99Å
43	K	25.3	Very low	27.6	Very low	178 Å²	178	141.2 Å²	141.2	77%	0.774	82%	0.821	S	S	*	*			trans	-80	103.9	167.7	-78.3	-179.7	179.7	172.8	0	110.1	D41 Q45	D41-K43 PolarHBondContact O-N 2.93Å; K43-Q45 PolarHBondContact O-N 3.31Å
44	A	27.4	Very low	27.7	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-66.2	123.7	159.2	0	0	0	0	0	108.8	C42 G46	C42-A44 PolarHBondContact O-N 2.99Å; A44-G46 PolarHBondContact O-N 2.6Å
45	Q	28.2	Very low	28.2	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.2	120.1	171.4	-80.3	-178.3	-15.3	0	0	109.3	K43	K43-Q45 PolarHBondContact O-N 3.31Å
46	G	24.4	Very low	28.5	Very low	83 Å²	83	138 Å²	138	86%	0.856	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.7	130.5	179	0	0	0	0	0	112.6	A44	A44-G46 PolarHBondContact O-N 2.6Å
47	S	24.8	Very low	29.1	Very low	116 Å²	116	136.1 Å²	136.1	81%	0.811	79%	0.788	S	S	*	*			trans	-110.9	129.3	154.9	54.9	0	0	0	0	108.6
48	K	25.3	Very low	29.3	Very low	202 Å²	202	137.2 Å²	137.2	88%	0.878	79%	0.788	S	S	*	*			trans	-56	155.3	-179.5	-78.1	-179.3	177.3	179.8	0	112.8	N50	K48-N50 PolarHBondContact O-N 3.48Å
49	P	27.5	Very low	30.6	Very low	114 Å²	114	132.5 Å²	132.5	74%	0.74	78%	0.777	S	S	*	*			trans	-79.7	120.3	-167	31.6	-31.6	0	0	0	111.1
50	N	23.7	Very low	32.2	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	76%	0.761	S	S	*	*			trans	-98	105.7	156.1	-103.7	-8.1	0	0	0	107.8	K48	K48-N50 PolarHBondContact O-N 3.48Å
51	V	34.2	Very low	34.6	Very low	124 Å²	124	129 Å²	129	75%	0.752	73%	0.733	S	S	*	*	S	Bend	trans	-62.5	130.3	162.7	179.3	0	0	0	0	106.8
52	N	30.1	Very low	37.8	Very low	150 Å²	150	123.2 Å²	123.2	80%	0.802	70%	0.702	S	S	*	*			trans	87.3	76	-175.4	-56.8	-23.3	0	0	0	116.1
53	T	28.6	Very low	41.1	Very low	134 Å²	134	118.2 Å²	118.2	82%	0.822	67%	0.668	S	S	*	*	S	Bend	trans	-153.5	143.7	135.8	39.3	0	0	0	0	109.2
54	S	33.3	Very low	44.5	Very low	97 Å²	97	112.8 Å²	112.8	68%	0.678	64%	0.643	S	S	*	*			trans	-51.6	132.5	-171	51	0	0	0	0	115.2	R56	S54-R56 PolarHBondContact O-N 3.18Å
55	D	36.8	Very low	47.8	Very low	117 Å²	117	113.8 Å²	113.8	63%	0.626	63%	0.626	S	S	*	*			trans	-69	36.3	173.3	-149.9	11.7	0	0	0	113.2	G57	D55-G57 PolarHBondContact O-N 3.2Å
56	R	36.1	Very low	51.1	Low	223 Å²	223	104.5 Å²	104.5	84%	0.842	58%	0.582	S	S	*	*			trans	-87.6	64.4	168.5	-69.7	-171.4	-176.4	-172.1	2.2	108.8	S54 E58	S54-R56 PolarHBondContact O-N 3.18Å; R56-E58 PolarHBondContact O-N 3.5Å
57	G	36.8	Very low	54.4	Low	48 Å²	48	102.4 Å²	102.4	50%	0.495	55%	0.55	S	S	.	*			trans	-62.1	119.1	160.7	0	0	0	0	0	108.1	D55 G59	D55-G57 PolarHBondContact O-N 3.2Å; G57-G59 PolarHBondContact O-N 2.99Å
58	E	40.1	Very low	57.7	Low	205 Å²	205	102.7 Å²	102.7	96%	0.958	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	113.2	175.4	-70.4	178.4	154	0	0	109.5	R56	R56-E58 PolarHBondContact O-N 3.5Å
59	G	53.4	Low	61	Low	56 Å²	56	95.6 Å²	95.6	58%	0.577	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.4	2	166.5	0	0	0	0	0	119	G57	G57-G59 PolarHBondContact O-N 2.99Å
60	R	63.2	Low	64.3	Low	120 Å²	120	90.7 Å²	90.7	45%	0.453	48%	0.477	S	S	.	.			trans	-101.4	121.7	176.2	-63.4	-176.6	-173	-178.7	6.2	112.4
61	T	76.6	Confident	67.8	Low	36 Å²	36	84.7 Å²	84.7	22%	0.221	44%	0.444	C	S	.	.	S	Bend	trans	-89	-21.3	-175.6	-41.9	0	0	0	0	113.3	I69 D265	T61-I69 VanDerWaalsContact O-CD1 3.29Å; T61-I69 WeakPolarHBondContact O-CD1 3.38Å; T61-D265 WeakPolarHBondContact CB-OD2 3.32Å; T61-D265 PolarHBondContact OG1-OD1 2.97Å; T61-D265 PolarHBondContact OG1-OD2 3.48Å
62	V	91.9	Very high	70.8	Confident	7 Å²	7	80.4 Å²	80.4	4%	0.042	41%	0.414	C	S	.	.	S	Bend	trans	-114.1	103.5	174.9	-174.5	0	0	0	0	110.4	R66 M70 Q241 V262	V62-R66 HydrophobicContact CG1-CG 4.24Å; V62-M70 HydrophobicContact CG1-CE 4.19Å; V62-M70 HydrophobicContact CG2-CE 4.12Å; V62-Q241 PolarHBondContact O-NE2 2.95Å; V62-Q241 VanDerWaalsContact O-NE2 3.13Å; V62-V262 HydrophobicContact CG2-CG1 3.64Å; V62-V262 HydrophobicContact CG2-CG2 4.38Å
63	P	95.2	Very high	73.9	Confident	23 Å²	23	74.2 Å²	74.2	15%	0.149	38%	0.381	C	S	.	.			trans	-74.9	163.7	175.8	31.7	-34.7	0	0	0	111.1	R66 I69	P63-R66 WeakPolarHBondContact O-CG 3.41Å; P63-I69 HydrophobicContact CG-CD1 3.83Å; P63-I69 HydrophobicContact CG-CG1 3.98Å
64	R	96.3	Very high	77.1	Confident	64 Å²	64	68 Å²	68	24%	0.242	34%	0.343	C	S	.	.	S	Bend	trans	-62.1	-45.6	174	-68	-175.9	-175.4	148.1	8.4	111.3	R66 R164 W190 Q241	R64-R66 PolarHBondContact O-N 3.35Å; R64-R164 PolarHBondContact O-NH2 3.5Å; R64-W190 HydrophobicContact CB-CD2 4.3Å; R64-W190 HydrophobicContact CB-CH2 4.41Å; R64-W190 HydrophobicContact CB-CZ2 3.89Å; R64-W190 HydrophobicContact CG-CD2 3.91Å; R64-W190 HydrophobicContact CG-CG 3.97Å; R64-W190 HydrophobicContact CG-CZ2 4.41Å; R64-Q241 HydrophobicContact CG-CG 4.12Å
65	R	96.8	Very high	80.2	Confident	119 Å²	119	64.4 Å²	64.4	45%	0.449	32%	0.315	S	S	.	.	S	Bend	trans	-85.5	83.8	173.1	-69.6	-172.7	166.9	-160.4	-5.9	110.2	Q67 E68	R65-Q67 VanDerWaalsContact C-N 3.28Å; R65-Q67 VanDerWaalsContact C-OE1 3.29Å; R65-Q67 PolarHBondContact O-N 3.38Å; R65-E68 HydrophobicContact CB-CG 3.92Å; R65-E68 WeakPolarHBondContact CB-OE1 3.33Å; R65-E68 WeakPolarHBondContact CD-OE1 3.39Å; R65-E68 WeakPolarHBondContact O-CB 3.29Å; R65-E68 PolarHBondContact O-N 3.15Å
66	R	97.1	Very high	83.1	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.008	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-65.2	-32.1	-172.4	-65.6	-173.2	-176.9	-150.8	8.4	113	V62 P63 R64 E68 I69 M70 F163 Y214 G215 G216 D238	V62-R66 HydrophobicContact CG1-CG 4.24Å; P63-R66 WeakPolarHBondContact O-CG 3.41Å; R64-R66 PolarHBondContact O-N 3.35Å; R66-E68 PolarHBondContact O-N 2.85Å; R66-E68 VanDerWaalsContact O-N 3.09Å; R66-I69 PolarHBondContact O-N 3.35Å; R66-M70 HydrophobicContact CB-SD 4.19Å; R66-M70 WeakPolarHBondContact O-CB 3.35Å; R66-M70 PolarHBondContact O-N 2.75Å; R66-F163 HydrophobicContact CB-CD1 3.82Å; R66-F163 HydrophobicContact CB-CD2 3.99Å; R66-F163 HydrophobicContact CB-CE1 3.5Å; R66-F163 VanDerWaalsContact CB-CE1 3.5Å; R66-F163 HydrophobicContact CB-CE2 3.64Å; R66-F163 HydrophobicContact CB-CG 4.09Å; R66-F163 HydrophobicContact CB-CZ 3.4Å; R66-F163 VanDerWaalsContact CB-CZ 3.4Å; R66-F163 HydrophobicContact CG-CD1 4.24Å; R66-F163 HydrophobicContact CG-CE1 3.99Å; R66-F163 HydrophobicContact CG-CZ 4.34Å; R66-Y214 VanDerWaalsContact CZ-CE1 3.49Å; R66-G215 PolarHBondContact NH1-O 3.16Å; R66-G215 PolarHBondContact NH2-O 3.49Å; R66-G216 PolarHBondContact NH1-O 3.14Å; R66-D238 IonicContact CZ-OD2 2.75Å; R66-D238 IonicContact NE-OD2 2.87Å; R66-D238 IonicContact NH2-OD1 3.86Å; R66-D238 PolarHBondContact NH2-OD1 2.86Å; R66-D238 IonicContact NH2-OD2 3.29Å; R66-D238 PolarHBondContact NH2-OD2 2.91Å
67	Q	94.5	Very high	85.9	Confident	40 Å²	40	48.8 Å²	48.8	19%	0.187	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59.3	-17.8	177.1	66.8	-80.8	19.3	0	0	114.1	R65 I69 M70 E159 F163	R65-Q67 VanDerWaalsContact C-N 3.28Å; R65-Q67 VanDerWaalsContact C-OE1 3.29Å; R65-Q67 PolarHBondContact O-N 3.38Å; Q67-I69 VanDerWaalsContact C-N 3.26Å; Q67-I69 PolarHBondContact O-N 3.31Å; Q67-M70 WeakPolarHBondContact CA-O 3.43Å; Q67-E159 PolarHBondContact NE2-OE2 3.34Å; Q67-F163 HydrophobicContact CB-CD2 4.43Å
68	E	94.5	Very high	88.7	Confident	122 Å²	122	49.1 Å²	49.1	57%	0.57	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-67.1	-28	174.3	-66.5	-179.2	-174.5	0	0	112.7	R65 R66	R65-E68 HydrophobicContact CB-CG 3.92Å; R65-E68 WeakPolarHBondContact CB-OE1 3.33Å; R65-E68 WeakPolarHBondContact CD-OE1 3.39Å; R65-E68 WeakPolarHBondContact O-CB 3.29Å; R65-E68 PolarHBondContact O-N 3.15Å; R66-E68 PolarHBondContact O-N 2.85Å; R66-E68 VanDerWaalsContact O-N 3.09Å
69	I	95.1	Very high	91.4	Very high	53 Å²	53	42.1 Å²	42.1	27%	0.272	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-19.1	-177.8	70.9	172.2	0	0	0	113.9	T61 P63 R66 Q67 Y77 S78	T61-I69 VanDerWaalsContact O-CD1 3.29Å; T61-I69 WeakPolarHBondContact O-CD1 3.38Å; P63-I69 HydrophobicContact CG-CD1 3.83Å; P63-I69 HydrophobicContact CG-CG1 3.98Å; R66-I69 PolarHBondContact O-N 3.35Å; Q67-I69 VanDerWaalsContact C-N 3.26Å; Q67-I69 PolarHBondContact O-N 3.31Å; I69-Y77 HydrophobicContact CD1-CE1 4.34Å; I69-Y77 CarbonylContact O-C 3.54Å; I69-Y77 VanDerWaalsContact O-CA 3.28Å; I69-Y77 WeakPolarHBondContact O-CA 3.34Å; I69-S78 PolarHBondContact O-N 3.25Å
70	M	96.8	Very high	93.4	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.054	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-114.4	151.1	-177.8	-51.8	-174.8	-178.1	0	0	110.9	V62 R66 Q67 G76 S78 F163 F286	V62-M70 HydrophobicContact CG1-CE 4.19Å; V62-M70 HydrophobicContact CG2-CE 4.12Å; R66-M70 HydrophobicContact CB-SD 4.19Å; R66-M70 WeakPolarHBondContact O-CB 3.35Å; R66-M70 PolarHBondContact O-N 2.75Å; Q67-M70 WeakPolarHBondContact CA-O 3.43Å; M70-G76 WeakPolarHBondContact CA-O 3.27Å; M70-S78 PolarHBondContact O-OG 3.38Å; M70-S78 VanDerWaalsContact O-OG 3.08Å; M70-F163 HydrophobicContact CB-CE2 4.03Å; M70-F163 HydrophobicContact CB-CZ 3.74Å; M70-F163 HydrophobicContact CG-CZ 4.4Å; M70-F163 HydrophobicContact SD-CE1 4.46Å; M70-F163 HydrophobicContact SD-CZ 3.98Å; M70-F286 HydrophobicContact CE-CD1 3.68Å; M70-F286 HydrophobicContact CE-CE1 4Å; M70-F286 HydrophobicContact SD-CD1 4.12Å; M70-F286 HydrophobicContact SD-CE1 4.37Å
71	K	96.9	Very high	95	Very high	27 Å²	27	40.3 Å²	40.3	12%	0.117	19%	0.189	C	C	.	.			trans	-70.2	134.1	174.5	-61.3	-179.5	-165.2	147.6	0	110.1	N73 W75 G76 Y77 S78 S80 D495	K71-N73 VanDerWaalsContact C-N 3.34Å; K71-W75 WeakPolarHBondContact CD-O 3.39Å; K71-W75 PolarHBondContact NZ-O 3.01Å; K71-G76 PolarHBondContact N-O 2.85Å; K71-Y77 WeakPolarHBondContact CE-O 3.34Å; K71-S78 PolarHBondContact N-OG 2.96Å; K71-S80 WeakPolarHBondContact CE-O 3.06Å; K71-S80 PolarHBondContact NZ-O 3.35Å; K71-D495 IonicContact NZ-OD2 2.83Å; K71-D495 PolarHBondContact NZ-OD2 2.84Å
72	W	96.1	Very high	95.9	Very high	34 Å²	34	38.8 Å²	38.8	13%	0.129	18%	0.18	C	C	.	.	S	Bend	trans	-78.9	-18.2	176.1	76	-89.6	0	0	0	113.2	T126 P127 L129 F163 L176	W72-T126 HydrophobicContact CH2-CG2 4.07Å; W72-T126 HydrophobicContact CZ2-CG2 4.03Å; W72-T126 VanDerWaalsContact CZ2-O 3.23Å; W72-T126 WeakPolarHBondContact CZ2-O 3.17Å; W72-P127 PolarHBondContact NE1-O 3.08Å; W72-L129 HydrophobicContact CD2-CB 4.29Å; W72-L129 HydrophobicContact CE3-CB 4.26Å; W72-L129 HydrophobicContact CE3-CD1 4.04Å; W72-L129 HydrophobicContact CH2-CB 4.38Å; W72-L129 HydrophobicContact CH2-CD1 4.14Å; W72-L129 HydrophobicContact CZ2-CB 4.39Å; W72-L129 HydrophobicContact CZ3-CB 4.32Å; W72-L129 HydrophobicContact CZ3-CD1 3.65Å; W72-F163 HydrophobicContact CB-CD2 4.46Å; W72-L176 HydrophobicContact CE3-CD2 4.45Å; W72-L176 WeakPolarHBondContact CH2-O 3.36Å; W72-L176 HydrophobicContact CZ3-CB 4.21Å; W72-L176 HydrophobicContact CZ3-CD2 4.18Å
73	N	96.2	Very high	96.1	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.107	19%	0.189	C	C	.	.	S	Bend	trans	-129.5	26.2	-172	66.1	-12.7	0	0	0	113.2	K71 T126 L176 R177	K71-N73 VanDerWaalsContact C-N 3.34Å; N73-T126 PolarHBondContact ND2-O 2.97Å; N73-L176 HydrophobicContact CB-CB 4.1Å; N73-R177 HydrophobicContact CB-CG 4.29Å; N73-R177 VanDerWaalsContact O-CG 3.26Å; N73-R177 WeakPolarHBondContact O-CG 3.38Å
74	G	96.3	Very high	96	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.031	19%	0.187	C	C	.	.	S	Bend	trans	-175.2	-173.1	-175.3	0	0	0	0	0	112.7
75	W	97.6	Very high	95.8	Very high	23 Å²	23	39.4 Å²	39.4	9%	0.087	19%	0.185	C	C	.	.	S	Bend	trans	-83.4	137.6	-179.6	178.2	-96.7	0	0	0	113	K71 H168 T218 F286 A491 Y492 D495	K71-W75 WeakPolarHBondContact CD-O 3.39Å; K71-W75 PolarHBondContact NZ-O 3.01Å; W75-H168 AromaticContact CE3-CD2 3.86Å; W75-H168 AromaticContact CE3-CE1 3.54Å; W75-H168 AromaticContact CE3-CG 3.83Å; W75-H168 AromaticContact CE3-ND1 3.64Å; W75-H168 AromaticContact CE3-NE2 3.64Å; W75-H168 AromaticContact CZ3-CD2 3.84Å; W75-H168 AromaticContact CZ3-NE2 3.84Å; W75-T218 HydrophobicContact CH2-CG2 3.97Å; W75-T218 HydrophobicContact CZ3-CG2 3.95Å; W75-F286 AromaticContact CE2-CE2 3.92Å; W75-F286 AromaticContact CH2-CD2 3.76Å; W75-F286 HydrophobicContact CH2-CD2 3.76Å; W75-F286 HydrophobicContact CH2-CE2 4.3Å; W75-F286 AromaticContact CZ2-CD2 3.63Å; W75-F286 HydrophobicContact CZ2-CD2 3.63Å; W75-F286 AromaticContact CZ2-CE2 3.72Å; W75-F286 HydrophobicContact CZ2-CE2 3.72Å; W75-F286 HydrophobicContact CZ3-CD2 4.45Å; W75-A491 HydrophobicContact CB-CB 4.34Å; W75-A491 VanDerWaalsContact CD1-CB 3.42Å; W75-A491 HydrophobicContact CD2-CB 3.75Å; W75-A491 HydrophobicContact CG-CB 3.58Å; W75-A491 HydrophobicContact CZ2-CB 4.48Å; W75-Y492 AromaticContact CD1-CD2 3.64Å; W75-Y492 AromaticContact CD1-CE2 3.57Å; W75-Y492 AromaticContact CD1-CG 3.96Å; W75-Y492 AromaticContact CD1-CZ 3.79Å; W75-Y492 AromaticContact NE1-CE2 3.66Å; W75-Y492 VanDerWaalsContact O-CE1 3.29Å; W75-Y492 WeakPolarHBondContact O-CE1 3.38Å; W75-D495 PolarHBondContact N-OD1 3.2Å; W75-D495 PolarHBondContact N-OD2 2.85Å
76	G	96.8	Very high	95.4	Very high	7 Å²	7	44.5 Å²	44.5	7%	0.072	21%	0.21	C	C	.	.	S	Bend	trans	78.2	-158.4	158.5	0	0	0	0	0	116.1	M70 K71 Y492	M70-G76 WeakPolarHBondContact CA-O 3.27Å; K71-G76 PolarHBondContact N-O 2.85Å; G76-Y492 WeakPolarHBondContact CA-OH 3.32Å
77	Y	96.8	Very high	95.1	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.016	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-71.3	144.7	-174.8	-62.9	-74.5	0	0	0	112.4	I69 K71 D79 S80 Q264 F286 Y492	I69-Y77 HydrophobicContact CD1-CE1 4.34Å; I69-Y77 CarbonylContact O-C 3.54Å; I69-Y77 VanDerWaalsContact O-CA 3.28Å; I69-Y77 WeakPolarHBondContact O-CA 3.34Å; K71-Y77 WeakPolarHBondContact CE-O 3.34Å; Y77-D79 WeakPolarHBondContact CB-OD1 3.47Å; Y77-D79 PolarHBondContact O-N 3.42Å; Y77-S80 PolarHBondContact O-N 3.14Å; Y77-S80 VanDerWaalsContact O-N 3.13Å; Y77-Q264 PolarHBondContact OH-OE1 3.48Å; Y77-F286 HydrophobicContact CD1-CE1 4.28Å; Y77-F286 HydrophobicContact CD2-CE1 4.23Å; Y77-F286 AromaticContact CD2-CZ 3.85Å; Y77-F286 HydrophobicContact CD2-CZ 3.85Å; Y77-F286 AromaticContact CE1-CE1 3.84Å; Y77-F286 HydrophobicContact CE1-CE1 3.84Å; Y77-F286 HydrophobicContact CE1-CZ 4.43Å; Y77-F286 AromaticContact CE2-CE1 3.8Å; Y77-F286 HydrophobicContact CE2-CE1 3.8Å; Y77-F286 AromaticContact CE2-CZ 3.67Å; Y77-F286 HydrophobicContact CE2-CZ 3.67Å; Y77-F286 HydrophobicContact CG-CE1 4.46Å; Y77-F286 HydrophobicContact CG-CZ 4.32Å; Y77-F286 AromaticContact CZ-CE1 3.58Å; Y77-F286 AromaticContact CZ-CZ 3.97Å; Y77-Y492 PolarHBondContact N-OH 2.97Å; Y77-Y492 VanDerWaalsContact N-OH 3.12Å
78	S	95.4	Very high	94.9	Very high	55 Å²	55	51.7 Å²	51.7	39%	0.385	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.2	-178.8	-62.6	0	0	0	0	113.8	I69 M70 K71 S80	I69-S78 PolarHBondContact O-N 3.25Å; M70-S78 PolarHBondContact O-OG 3.38Å; M70-S78 VanDerWaalsContact O-OG 3.08Å; K71-S78 PolarHBondContact N-OG 2.96Å; S78-S80 VanDerWaalsContact C-N 3.33Å
79	D	95.6	Very high	94.7	Very high	59 Å²	59	48.8 Å²	48.8	32%	0.316	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.1	177.7	60.8	20.4	0	0	0	113.9	Y77 T93 G94 R96	Y77-D79 WeakPolarHBondContact CB-OD1 3.47Å; Y77-D79 PolarHBondContact O-N 3.42Å; D79-T93 CarbonylContact O-C 3.48Å; D79-T93 PolarHBondContact O-OG1 3.44Å; D79-G94 WeakPolarHBondContact O-CA 3.37Å; D79-G94 PolarHBondContact O-N 3.36Å; D79-R96 VanDerWaalsContact CG-NE 3.26Å; D79-R96 WeakPolarHBondContact OD1-CD 3.45Å; D79-R96 IonicContact OD1-CZ 3.67Å; D79-R96 IonicContact OD1-NE 3.38Å; D79-R96 PolarHBondContact OD1-NE 2.94Å; D79-R96 IonicContact OD2-CZ 3.69Å; D79-R96 VanDerWaalsContact OD2-CZ 3.26Å; D79-R96 IonicContact OD2-NE 2.75Å; D79-R96 PolarHBondContact OD2-NE 3.22Å; D79-R96 IonicContact OD2-NH2 3.76Å; D79-R96 PolarHBondContact OD2-NH2 3.48Å
80	S	96.6	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.			trans	-119.4	114	-170.5	-63.1	0	0	0	0	110.7	K71 Y77 S78 Y492	K71-S80 WeakPolarHBondContact CE-O 3.06Å; K71-S80 PolarHBondContact NZ-O 3.35Å; Y77-S80 PolarHBondContact O-N 3.14Å; Y77-S80 VanDerWaalsContact O-N 3.13Å; S78-S80 VanDerWaalsContact C-N 3.33Å; S80-Y492 WeakPolarHBondContact O-CD1 3.26Å; S80-Y492 WeakPolarHBondContact O-CE1 3.3Å
81	R	95.9	Very high	94.6	Very high	137 Å²	137	48.4 Å²	48.4	52%	0.517	23%	0.229	S	C	.	.			trans	-158.5	155.9	175.2	61.9	-178.4	-179.6	-154.8	0.3	111.1	F92 T93	R81-F92 WeakPolarHBondContact O-CA 3.36Å; R81-T93 HydrophobicContact CG-CG2 4.05Å; R81-T93 WeakPolarHBondContact CG-OG1 3.44Å; R81-T93 PolarHBondContact N-OG1 3.33Å; R81-T93 PolarHBondContact O-N 2.81Å; R81-T93 PolarHBondContact O-OG1 3.27Å
82	F	95.7	Very high	94.5	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143	161.5	-67.5	-87.3	0	0	0	110.1	E91 F92 L99 I104 L107 V489 L493 L496	F82-E91 CarbonylContact C-O 3.52Å; F82-E91 VanDerWaalsContact CA-O 3.32Å; F82-E91 WeakPolarHBondContact CA-O 3.29Å; F82-F92 HydrophobicContact CD1-CB 4.08Å; F82-F92 AromaticContact CD1-CD2 3.78Å; F82-F92 HydrophobicContact CD1-CD2 3.78Å; F82-F92 HydrophobicContact CD1-CG 4.4Å; F82-F92 AromaticContact CD2-CD2 3.59Å; F82-F92 HydrophobicContact CD2-CD2 3.59Å; F82-F92 AromaticContact CD2-CE2 3.87Å; F82-F92 HydrophobicContact CD2-CE2 3.87Å; F82-F92 HydrophobicContact CE1-CB 3.95Å; F82-F92 AromaticContact CE1-CD2 3.67Å; F82-F92 HydrophobicContact CE1-CD2 3.67Å; F82-F92 HydrophobicContact CE1-CG 4.15Å; F82-F92 AromaticContact CE2-CD2 3.47Å; F82-F92 HydrophobicContact CE2-CD2 3.47Å; F82-F92 VanDerWaalsContact CE2-CD2 3.47Å; F82-F92 AromaticContact CE2-CE2 3.64Å; F82-F92 HydrophobicContact CE2-CE2 3.64Å; F82-F92 AromaticContact CG-CD2 3.74Å; F82-F92 HydrophobicContact CG-CD2 3.74Å; F82-F92 HydrophobicContact CG-CE2 4.45Å; F82-F92 AromaticContact CZ-CD2 3.52Å; F82-F92 HydrophobicContact CZ-CD2 3.52Å; F82-F92 HydrophobicContact CZ-CE2 4.04Å; F82-F92 HydrophobicContact CZ-CG 4.24Å; F82-L99 HydrophobicContact CE1-CD2 4.03Å; F82-L99 HydrophobicContact CZ-CD2 3.98Å; F82-I104 HydrophobicContact CD1-CD1 4.01Å; F82-I104 HydrophobicContact CE1-CD1 3.43Å; F82-I104 VanDerWaalsContact CE1-CD1 3.43Å; F82-L107 HydrophobicContact CD1-CD2 4.26Å; F82-V489 HydrophobicContact CE2-CB 4.47Å; F82-V489 HydrophobicContact CZ-CB 4.35Å; F82-L493 HydrophobicContact CB-CD2 4.45Å; F82-L493 HydrophobicContact CD1-CD2 3.96Å; F82-L493 HydrophobicContact CD2-CD2 3.48Å; F82-L493 VanDerWaalsContact CD2-CD2 3.48Å; F82-L493 HydrophobicContact CD2-CG 3.79Å; F82-L493 HydrophobicContact CE1-CD2 4.01Å; F82-L493 HydrophobicContact CE2-CD1 4.41Å; F82-L493 HydrophobicContact CE2-CD2 3.56Å; F82-L493 HydrophobicContact CE2-CG 3.5Å; F82-L493 HydrophobicContact CG-CD2 3.7Å; F82-L493 HydrophobicContact CG-CG 4.49Å; F82-L493 HydrophobicContact CZ-CD1 4.5Å; F82-L493 HydrophobicContact CZ-CD2 3.82Å; F82-L493 HydrophobicContact CZ-CG 3.98Å; F82-L496 HydrophobicContact CB-CB 3.99Å; F82-L496 HydrophobicContact CB-CD1 4.34Å; F82-L496 HydrophobicContact CB-CD2 3.71Å; F82-L496 HydrophobicContact CB-CG 4.21Å; F82-L496 HydrophobicContact CG-CD2 4.43Å
83	L	94.9	Very high	94.5	Very high	47 Å²	47	46.7 Å²	46.7	25%	0.246	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.8	169.4	61.1	81.3	0	0	0	110.4	N85 A90 E91 T93	L83-N85 HydrophobicContact CD1-CB 4.22Å; L83-A90 CarbonylContact O-C 3.55Å; L83-A90 WeakPolarHBondContact O-CA 3.46Å; L83-E91 HydrophobicContact CD1-CB 4.27Å; L83-E91 PolarHBondContact N-O 2.93Å; L83-E91 PolarHBondContact O-N 3.32Å; L83-T93 HydrophobicContact CD2-CG2 3.43Å; L83-T93 VanDerWaalsContact CD2-CG2 3.43Å; L83-T93 HydrophobicContact CG-CG2 4.01Å
84	F	94.8	Very high	94.4	Very high	24 Å²	24	47.6 Å²	47.6	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.6	164.8	-68.2	-77.7	0	0	0	109.2	G88 Q89 A90 K108 M111 L119 L496 Y500	F84-G88 WeakPolarHBondContact CD1-O 3.47Å; F84-Q89 WeakPolarHBondContact CA-O 3.16Å; F84-A90 HydrophobicContact CD1-CB 4.02Å; F84-A90 HydrophobicContact CE1-CB 3.77Å; F84-K108 HydrophobicContact CE1-CB 3.72Å; F84-K108 HydrophobicContact CE1-CG 4.09Å; F84-K108 HydrophobicContact CZ-CB 4.42Å; F84-M111 HydrophobicContact CE2-SD 4.17Å; F84-M111 HydrophobicContact CZ-SD 3.87Å; F84-L119 HydrophobicContact CB-CD2 4.47Å; F84-L119 HydrophobicContact CD1-CD1 4.24Å; F84-L119 HydrophobicContact CD1-CD2 4.09Å; F84-L119 HydrophobicContact CD2-CD2 3.38Å; F84-L119 HydrophobicContact CE1-CD2 4.15Å; F84-L119 HydrophobicContact CE2-CD2 3.42Å; F84-L119 VanDerWaalsContact CE2-CD2 3.42Å; F84-L119 HydrophobicContact CG-CD1 4.24Å; F84-L119 HydrophobicContact CG-CD2 3.72Å; F84-L119 HydrophobicContact CZ-CD2 3.82Å; F84-L496 HydrophobicContact CD2-CD1 4.04Å; F84-L496 HydrophobicContact CE2-CD1 3.91Å; F84-L496 HydrophobicContact CE2-CD2 4.2Å; F84-L496 HydrophobicContact CE2-CG 4.38Å; F84-L496 HydrophobicContact CZ-CD2 4.46Å; F84-Y500 HydrophobicContact CD2-CD2 4.3Å; F84-Y500 HydrophobicContact CD2-CE1 4.39Å; F84-Y500 AromaticContact CD2-CE2 3.46Å; F84-Y500 HydrophobicContact CD2-CE2 3.46Å; F84-Y500 VanDerWaalsContact CD2-CE2 3.46Å; F84-Y500 AromaticContact CD2-CZ 3.52Å; F84-Y500 WeakPolarHBondContact CD2-OH 3.34Å; F84-Y500 HydrophobicContact CE2-CD2 4Å; F84-Y500 AromaticContact CE2-CE2 3.62Å; F84-Y500 HydrophobicContact CE2-CE2 3.62Å; F84-Y500 AromaticContact CE2-CZ 3.99Å
85	N	91.4	Very high	94.4	Very high	36 Å²	36	54.1 Å²	54.1	19%	0.193	27%	0.273	C	S	.	.			trans	-72.5	-179.7	180	72.3	20.3	0	0	0	111.8	L83 K87 G88 Q89	L83-N85 HydrophobicContact CD1-CB 4.22Å; N85-K87 PolarHBondContact O-N 2.85Å; N85-K87 WeakPolarHBondContact OD1-CA 3.45Å; N85-K87 WeakPolarHBondContact OD1-CB 3.35Å; N85-K87 PolarHBondContact OD1-N 2.87Å; N85-G88 WeakPolarHBondContact O-CA 3.35Å; N85-G88 PolarHBondContact O-N 2.67Å; N85-G88 PolarHBondContact OD1-N 2.79Å; N85-Q89 PolarHBondContact N-O 2.78Å; N85-Q89 PolarHBondContact OD1-N 3.02Å; N85-Q89 VanDerWaalsContact OD1-N 3.09Å; N85-Q89 PolarHBondContact OD1-O 3.15Å
86	K	88.8	Confident	94.1	Very high	226 Å²	226	58.5 Å²	58.5	98%	0.983	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.4	-179.1	-66.5	-175.2	178.9	-179.7	0	114.3	G88	K86-G88 VanDerWaalsContact C-N 3.33Å
87	K	90.3	Very high	93.9	Very high	174 Å²	174	59.6 Å²	59.6	76%	0.757	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.9	175.4	-59.3	-179.9	179.9	178.2	0	112.5	N85 Q89	N85-K87 PolarHBondContact O-N 2.85Å; N85-K87 WeakPolarHBondContact OD1-CA 3.45Å; N85-K87 WeakPolarHBondContact OD1-CB 3.35Å; N85-K87 PolarHBondContact OD1-N 2.87Å; K87-Q89 HydrophobicContact CB-CG 4.1Å; K87-Q89 PolarHBondContact O-N 2.7Å
88	G	90	Very high	93.5	Very high	18 Å²	18	68.1 Å²	68.1	19%	0.186	32%	0.324	C	S	.	.	S	Bend	trans	70.7	16.3	-176	0	0	0	0	0	113.7	F84 N85 K86	F84-G88 WeakPolarHBondContact CD1-O 3.47Å; N85-G88 WeakPolarHBondContact O-CA 3.35Å; N85-G88 PolarHBondContact O-N 2.67Å; N85-G88 PolarHBondContact OD1-N 2.79Å; K86-G88 VanDerWaalsContact C-N 3.33Å
89	Q	91.8	Very high	93.1	Very high	61 Å²	61	66.5 Å²	66.5	29%	0.285	31%	0.311	S	S	.	.			trans	-93.1	137.1	178.6	-55.2	175.4	-62	0	0	109.4	F84 N85 K87 I103	F84-Q89 WeakPolarHBondContact CA-O 3.16Å; N85-Q89 PolarHBondContact N-O 2.78Å; N85-Q89 PolarHBondContact OD1-N 3.02Å; N85-Q89 VanDerWaalsContact OD1-N 3.09Å; N85-Q89 PolarHBondContact OD1-O 3.15Å; K87-Q89 HydrophobicContact CB-CG 4.1Å; K87-Q89 PolarHBondContact O-N 2.7Å; Q89-I103 HydrophobicContact CB-CG2 3.83Å; Q89-I103 HydrophobicContact CG-CG2 4.43Å
90	A	94.6	Very high	92.9	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	140	174.6	0	0	0	0	0	110.5	L83 F84 I103 I104 L107	L83-A90 CarbonylContact O-C 3.55Å; L83-A90 WeakPolarHBondContact O-CA 3.46Å; F84-A90 HydrophobicContact CD1-CB 4.02Å; F84-A90 HydrophobicContact CE1-CB 3.77Å; A90-I103 WeakPolarHBondContact O-CA 3.21Å; A90-I104 HydrophobicContact CB-CB 4.22Å; A90-I104 PolarHBondContact O-N 3.24Å; A90-L107 HydrophobicContact CB-CB 3.89Å; A90-L107 HydrophobicContact CB-CD2 3.77Å; A90-L107 HydrophobicContact CB-CG 4.22Å
91	E	94.8	Very high	92.6	Very high	55 Å²	55	67 Å²	67	26%	0.257	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.9	179.2	-176.5	-176.9	153.8	0	0	108.7	F82 L83 I103	F82-E91 CarbonylContact C-O 3.52Å; F82-E91 VanDerWaalsContact CA-O 3.32Å; F82-E91 WeakPolarHBondContact CA-O 3.29Å; L83-E91 HydrophobicContact CD1-CB 4.27Å; L83-E91 PolarHBondContact N-O 2.93Å; L83-E91 PolarHBondContact O-N 3.32Å; E91-I103 HydrophobicContact CB-CD1 4.01Å; E91-I103 HydrophobicContact CG-CD1 4.12Å
92	F	94.8	Very high	92.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.7	172.3	-170.5	-105.3	0	0	0	109.8	R81 F82 Y97 L99 S100 G101 V489 Y492	R81-F92 WeakPolarHBondContact O-CA 3.36Å; F82-F92 HydrophobicContact CD1-CB 4.08Å; F82-F92 AromaticContact CD1-CD2 3.78Å; F82-F92 HydrophobicContact CD1-CD2 3.78Å; F82-F92 HydrophobicContact CD1-CG 4.4Å; F82-F92 AromaticContact CD2-CD2 3.59Å; F82-F92 HydrophobicContact CD2-CD2 3.59Å; F82-F92 AromaticContact CD2-CE2 3.87Å; F82-F92 HydrophobicContact CD2-CE2 3.87Å; F82-F92 HydrophobicContact CE1-CB 3.95Å; F82-F92 AromaticContact CE1-CD2 3.67Å; F82-F92 HydrophobicContact CE1-CD2 3.67Å; F82-F92 HydrophobicContact CE1-CG 4.15Å; F82-F92 AromaticContact CE2-CD2 3.47Å; F82-F92 HydrophobicContact CE2-CD2 3.47Å; F82-F92 VanDerWaalsContact CE2-CD2 3.47Å; F82-F92 AromaticContact CE2-CE2 3.64Å; F82-F92 HydrophobicContact CE2-CE2 3.64Å; F82-F92 AromaticContact CG-CD2 3.74Å; F82-F92 HydrophobicContact CG-CD2 3.74Å; F82-F92 HydrophobicContact CG-CE2 4.45Å; F82-F92 AromaticContact CZ-CD2 3.52Å; F82-F92 HydrophobicContact CZ-CD2 3.52Å; F82-F92 HydrophobicContact CZ-CE2 4.04Å; F82-F92 HydrophobicContact CZ-CG 4.24Å; F92-Y97 AromaticContact CE1-CD2 3.43Å; F92-Y97 HydrophobicContact CE1-CD2 3.43Å; F92-Y97 VanDerWaalsContact CE1-CD2 3.43Å; F92-Y97 HydrophobicContact CE1-CE2 4.17Å; F92-Y97 AromaticContact CE1-CG 3.91Å; F92-Y97 HydrophobicContact CE1-CG 3.91Å; F92-Y97 AromaticContact CZ-CD2 3.8Å; F92-Y97 HydrophobicContact CZ-CD2 3.8Å; F92-Y97 HydrophobicContact CZ-CE2 4.09Å; F92-Y97 HydrophobicContact CZ-CG 4.42Å; F92-L99 HydrophobicContact CB-CD2 4.33Å; F92-L99 HydrophobicContact CB-CG 4.2Å; F92-L99 HydrophobicContact CD1-CB 4.27Å; F92-L99 HydrophobicContact CG-CD2 4.45Å; F92-S100 CarbonylContact O-C 3.54Å; F92-S100 WeakPolarHBondContact O-CA 3.31Å; F92-G101 PolarHBondContact O-N 2.6Å; F92-V489 HydrophobicContact CE1-CG1 4.14Å; F92-V489 HydrophobicContact CZ-CB 4.48Å; F92-V489 HydrophobicContact CZ-CG1 3.97Å; F92-Y492 HydrophobicContact CE2-CD1 4.34Å; F92-Y492 HydrophobicContact CE2-CD2 4.18Å; F92-Y492 AromaticContact CE2-CG 3.9Å; F92-Y492 HydrophobicContact CE2-CG 3.9Å; F92-Y492 HydrophobicContact CZ-CD2 4.11Å; F92-Y492 HydrophobicContact CZ-CE2 4.34Å; F92-Y492 HydrophobicContact CZ-CG 4.2Å
93	T	95.4	Very high	92.3	Very high	25 Å²	25	65 Å²	65	15%	0.153	33%	0.325	C	S	.	.			trans	-79.5	176.6	-170.7	65.7	0	0	0	0	113.8	D79 R81 L83 S100	D79-T93 CarbonylContact O-C 3.48Å; D79-T93 PolarHBondContact O-OG1 3.44Å; R81-T93 HydrophobicContact CG-CG2 4.05Å; R81-T93 WeakPolarHBondContact CG-OG1 3.44Å; R81-T93 PolarHBondContact N-OG1 3.33Å; R81-T93 PolarHBondContact O-N 2.81Å; R81-T93 PolarHBondContact O-OG1 3.27Å; L83-T93 HydrophobicContact CD2-CG2 3.43Å; L83-T93 VanDerWaalsContact CD2-CG2 3.43Å; L83-T93 HydrophobicContact CG-CG2 4.01Å; T93-S100 PolarHBondContact O-OG 3.29Å
94	G	94.6	Very high	92.2	Very high	39 Å²	39	62.7 Å²	62.7	40%	0.402	31%	0.313	S	S	.	.	S	Bend	trans	82.8	-155.9	172.1	0	0	0	0	0	113.1	D79 S100	D79-G94 WeakPolarHBondContact O-CA 3.37Å; D79-G94 PolarHBondContact O-N 3.36Å; G94-S100 VanDerWaalsContact O-CB 3.31Å; G94-S100 WeakPolarHBondContact O-CB 3.31Å
95	N	94.8	Very high	91.9	Very high	140 Å²	140	64.3 Å²	64.3	75%	0.749	33%	0.326	S	S	*	.	S	Bend	trans	-146.9	12.5	177.3	64.2	-5.4	0	0	0	113.3
96	R	92.1	Very high	91.9	Very high	116 Å²	116	63.8 Å²	63.8	44%	0.438	33%	0.329	S	S	.	.	S	Bend	trans	-77.2	-34.1	-175.3	-67.5	-176.3	-175.6	-86.4	-11.8	113.3	D79	D79-R96 VanDerWaalsContact CG-NE 3.26Å; D79-R96 WeakPolarHBondContact OD1-CD 3.45Å; D79-R96 IonicContact OD1-CZ 3.67Å; D79-R96 IonicContact OD1-NE 3.38Å; D79-R96 PolarHBondContact OD1-NE 2.94Å; D79-R96 IonicContact OD2-CZ 3.69Å; D79-R96 VanDerWaalsContact OD2-CZ 3.26Å; D79-R96 IonicContact OD2-NE 2.75Å; D79-R96 PolarHBondContact OD2-NE 3.22Å; D79-R96 IonicContact OD2-NH2 3.76Å; D79-R96 PolarHBondContact OD2-NH2 3.48Å
97	Y	92.2	Very high	92.1	Very high	30 Å²	30	53 Å²	53	12%	0.118	28%	0.282	C	S	.	.	S	Bend	trans	-113.3	154.4	-172.1	-56.1	-89.7	0	0	0	109.7	F92 L99 S100 E285 F488 V489 Y492	F92-Y97 AromaticContact CE1-CD2 3.43Å; F92-Y97 HydrophobicContact CE1-CD2 3.43Å; F92-Y97 VanDerWaalsContact CE1-CD2 3.43Å; F92-Y97 HydrophobicContact CE1-CE2 4.17Å; F92-Y97 AromaticContact CE1-CG 3.91Å; F92-Y97 HydrophobicContact CE1-CG 3.91Å; F92-Y97 AromaticContact CZ-CD2 3.8Å; F92-Y97 HydrophobicContact CZ-CD2 3.8Å; F92-Y97 HydrophobicContact CZ-CE2 4.09Å; F92-Y97 HydrophobicContact CZ-CG 4.42Å; Y97-L99 PolarHBondContact O-N 2.86Å; Y97-L99 VanDerWaalsContact O-N 3.08Å; Y97-S100 PolarHBondContact N-OG 3.23Å; Y97-S100 WeakPolarHBondContact O-CB 3.03Å; Y97-S100 PolarHBondContact O-N 2.73Å; Y97-S100 PolarHBondContact O-OG 3.02Å; Y97-E285 WeakPolarHBondContact CE1-OE1 3.25Å; Y97-E285 PolarHBondContact OH-OE1 3.41Å; Y97-E285 PolarHBondContact OH-OE2 3.38Å; Y97-F488 HydrophobicContact CE1-CB 4.2Å; Y97-V489 HydrophobicContact CD1-CG1 3.94Å; Y97-V489 HydrophobicContact CE1-CG1 4.49Å; Y97-V489 HydrophobicContact CG-CG1 4.01Å; Y97-Y492 HydrophobicContact CE2-CE2 4.03Å; Y97-Y492 AromaticContact CZ-CE2 3.81Å; Y97-Y492 WeakPolarHBondContact OH-CE2 3.34Å; Y97-Y492 PolarHBondContact OH-OH 3.05Å
98	R	88.2	Confident	92.3	Very high	182 Å²	182	47.6 Å²	47.6	69%	0.687	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.3	176.1	-64.7	-163	-170.9	179.4	2.2	113.5	S100 M102 M485	R98-S100 VanDerWaalsContact C-N 3.33Å; R98-M102 VanDerWaalsContact O-SD 3.4Å; R98-M485 HydrophobicContact CB-SD 4.41Å; R98-M485 HydrophobicContact CG-SD 4.41Å
99	L	88.3	Confident	92.5	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.11	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.5	176.7	-163.6	65.9	0	0	0	112.9	F82 F92 Y97 G101 M102 I104 P413 V489	F82-L99 HydrophobicContact CE1-CD2 4.03Å; F82-L99 HydrophobicContact CZ-CD2 3.98Å; F92-L99 HydrophobicContact CB-CD2 4.33Å; F92-L99 HydrophobicContact CB-CG 4.2Å; F92-L99 HydrophobicContact CD1-CB 4.27Å; F92-L99 HydrophobicContact CG-CD2 4.45Å; Y97-L99 PolarHBondContact O-N 2.86Å; Y97-L99 VanDerWaalsContact O-N 3.08Å; L99-G101 PolarHBondContact O-N 3.46Å; L99-M102 HydrophobicContact CD1-CB 4.35Å; L99-M102 HydrophobicContact CD1-SD 4.14Å; L99-M102 VanDerWaalsContact O-CB 3.29Å; L99-M102 WeakPolarHBondContact O-CB 3.28Å; L99-M102 WeakPolarHBondContact O-CG 3.5Å; L99-M102 PolarHBondContact O-N 2.94Å; L99-M102 VanDerWaalsContact O-N 3.09Å; L99-I104 HydrophobicContact CD1-CD1 4.17Å; L99-I104 HydrophobicContact CD1-CG1 4.39Å; L99-I104 HydrophobicContact CD2-CD1 3.81Å; L99-I104 HydrophobicContact CG-CD1 4.07Å; L99-P413 HydrophobicContact CD1-CB 4.13Å; L99-P413 HydrophobicContact CD1-CG 4.22Å; L99-V489 HydrophobicContact CD2-CG2 4.09Å
100	S	91.6	Very high	92.6	Very high	21 Å²	21	50.6 Å²	50.6	15%	0.147	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	134.5	-177.2	-70.2	0	0	0	0	112.2	F92 T93 G94 Y97 R98 M102	F92-S100 CarbonylContact O-C 3.54Å; F92-S100 WeakPolarHBondContact O-CA 3.31Å; T93-S100 PolarHBondContact O-OG 3.29Å; G94-S100 VanDerWaalsContact O-CB 3.31Å; G94-S100 WeakPolarHBondContact O-CB 3.31Å; Y97-S100 PolarHBondContact N-OG 3.23Å; Y97-S100 WeakPolarHBondContact O-CB 3.03Å; Y97-S100 PolarHBondContact O-N 2.73Å; Y97-S100 PolarHBondContact O-OG 3.02Å; R98-S100 VanDerWaalsContact C-N 3.33Å; S100-M102 PolarHBondContact O-N 2.65Å
101	G	90.4	Very high	92.7	Very high	50 Å²	50	51 Å²	51	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-2.5	-174.2	0	0	0	0	0	114.9	F92 L99	F92-G101 PolarHBondContact O-N 2.6Å; L99-G101 PolarHBondContact O-N 3.46Å
102	M	90.6	Very high	92.6	Very high	64 Å²	64	51.4 Å²	51.4	32%	0.315	27%	0.274	S	S	.	.			trans	-85.5	140.6	-179.3	-55.9	-172	90	0	0	111.7	R98 L99 S100 P413	R98-M102 VanDerWaalsContact O-SD 3.4Å; L99-M102 HydrophobicContact CD1-CB 4.35Å; L99-M102 HydrophobicContact CD1-SD 4.14Å; L99-M102 VanDerWaalsContact O-CB 3.29Å; L99-M102 WeakPolarHBondContact O-CB 3.28Å; L99-M102 WeakPolarHBondContact O-CG 3.5Å; L99-M102 PolarHBondContact O-N 2.94Å; L99-M102 VanDerWaalsContact O-N 3.09Å; S100-M102 PolarHBondContact O-N 2.65Å; M102-P413 HydrophobicContact CB-CB 3.85Å; M102-P413 HydrophobicContact CE-CB 3.51Å; M102-P413 HydrophobicContact CE-CG 3.58Å; M102-P413 HydrophobicContact CG-CB 4.4Å; M102-P413 HydrophobicContact SD-CB 3.73Å; M102-P413 HydrophobicContact SD-CG 3.84Å
103	I	93.4	Very high	92.6	Very high	34 Å²	34	54.8 Å²	54.8	17%	0.174	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.3	170.8	-59.6	-58.5	0	0	0	110.1	Q89 A90 E91 P105 P413 Q414	Q89-I103 HydrophobicContact CB-CG2 3.83Å; Q89-I103 HydrophobicContact CG-CG2 4.43Å; A90-I103 WeakPolarHBondContact O-CA 3.21Å; E91-I103 HydrophobicContact CB-CD1 4.01Å; E91-I103 HydrophobicContact CG-CD1 4.12Å; I103-P105 WeakPolarHBondContact O-CD 3.49Å; I103-P413 CarbonylContact O-C 3.49Å; I103-P413 WeakPolarHBondContact O-CA 3.25Å; I103-Q414 HydrophobicContact CB-CB 4.47Å; I103-Q414 PolarHBondContact O-N 3.23Å
104	I	92.8	Very high	92.5	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	82.8	-176.8	-54.6	168.7	0	0	0	108	F82 A90 L99 G106 L107 A410 L411	F82-I104 HydrophobicContact CD1-CD1 4.01Å; F82-I104 HydrophobicContact CE1-CD1 3.43Å; F82-I104 VanDerWaalsContact CE1-CD1 3.43Å; A90-I104 HydrophobicContact CB-CB 4.22Å; A90-I104 PolarHBondContact O-N 3.24Å; L99-I104 HydrophobicContact CD1-CD1 4.17Å; L99-I104 HydrophobicContact CD1-CG1 4.39Å; L99-I104 HydrophobicContact CD2-CD1 3.81Å; L99-I104 HydrophobicContact CG-CD1 4.07Å; I104-G106 VanDerWaalsContact C-N 3.31Å; I104-G106 PolarHBondContact O-N 3.43Å; I104-L107 HydrophobicContact CB-CB 4.5Å; I104-L107 HydrophobicContact CG2-CB 3.83Å; I104-L107 PolarHBondContact O-N 3.04Å; I104-A410 WeakPolarHBondContact CG2-O 3.43Å; I104-L411 HydrophobicContact CG2-CD2 4.3Å
105	P	89.2	Confident	92.5	Very high	58 Å²	58	53.5 Å²	53.5	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.8	-167.8	24.8	-33.9	0	0	0	113	I103 L107 Q414	I103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-L107 PolarHBondContact O-N 2.74Å; P105-Q414 HydrophobicContact CG-CB 4.3Å
106	G	91.3	Very high	92.4	Very high	24 Å²	24	48.2 Å²	48.2	25%	0.247	27%	0.271	C	S	.	.	H	α-helix	trans	-77.9	-15.2	-175.6	0	0	0	0	0	115.1	I104 K108 W110 A410	I104-G106 VanDerWaalsContact C-N 3.31Å; I104-G106 PolarHBondContact O-N 3.43Å; G106-K108 PolarHBondContact O-N 2.8Å; G106-W110 WeakPolarHBondContact O-CB 3.45Å; G106-W110 PolarHBondContact O-N 2.72Å; G106-A410 CarbonylContact C-O 3.59Å; G106-A410 WeakPolarHBondContact CA-O 3.37Å
107	L	93.9	Very high	92.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-38.2	-173.3	-179.6	57.9	0	0	0	112.1	F82 A90 I104 P105 W110 M111 A410 L411 L493 L496	F82-L107 HydrophobicContact CD1-CD2 4.26Å; A90-L107 HydrophobicContact CB-CB 3.89Å; A90-L107 HydrophobicContact CB-CD2 3.77Å; A90-L107 HydrophobicContact CB-CG 4.22Å; I104-L107 HydrophobicContact CB-CB 4.5Å; I104-L107 HydrophobicContact CG2-CB 3.83Å; I104-L107 PolarHBondContact O-N 3.04Å; P105-L107 PolarHBondContact O-N 2.74Å; L107-W110 HydrophobicContact CD1-CE3 3.97Å; L107-W110 HydrophobicContact CD1-CZ3 4.43Å; L107-W110 PolarHBondContact O-N 2.88Å; L107-M111 HydrophobicContact CD1-CG 4.11Å; L107-M111 HydrophobicContact CD1-SD 4.36Å; L107-M111 HydrophobicContact CG-CG 4.48Å; L107-M111 HydrophobicContact CG-SD 4.31Å; L107-M111 WeakPolarHBondContact O-CG 3.24Å; L107-M111 PolarHBondContact O-N 3.17Å; L107-A410 PolarHBondContact N-O 3.34Å; L107-L411 HydrophobicContact CD1-CD2 3.86Å; L107-L411 HydrophobicContact CD2-CD2 4.14Å; L107-L411 HydrophobicContact CG-CD2 4.42Å; L107-L493 HydrophobicContact CD1-CD2 4.44Å; L107-L493 HydrophobicContact CD2-CD2 3.75Å; L107-L496 HydrophobicContact CD2-CD2 3.82Å
108	K	94.6	Very high	92.1	Very high	60 Å²	60	43.8 Å²	43.8	26%	0.261	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-58.9	177.1	-173.3	-168.2	164.8	-166.9	0	110.4	F84 G106 W110 M111 E112 L119	F84-K108 HydrophobicContact CE1-CB 3.72Å; F84-K108 HydrophobicContact CE1-CG 4.09Å; F84-K108 HydrophobicContact CZ-CB 4.42Å; G106-K108 PolarHBondContact O-N 2.8Å; K108-W110 PolarHBondContact O-N 2.97Å; K108-M111 PolarHBondContact O-N 3.21Å; K108-E112 VanDerWaalsContact CE-CD 3.43Å; K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 HydrophobicContact CG-CG 4.38Å; K108-E112 IonicContact NZ-OE1 2.87Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.47Å; K108-L119 HydrophobicContact CD-CD1 3.84Å; K108-L119 HydrophobicContact CG-CD1 4.15Å; K108-L119 HydrophobicContact CG-CG 4.49Å
109	D	94	Very high	92	Very high	107 Å²	107	36.4 Å²	36.4	57%	0.572	23%	0.233	S	C	*	.	H	α-helix	trans	-60.3	-35.4	-176.1	-60	-11.7	0	0	0	111.3	G113	D109-G113 PolarHBondContact O-N 3.48Å
110	W	94.1	Very high	92.1	Very high	34 Å²	34	42.5 Å²	42.5	13%	0.129	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-43.3	174	178.8	84.2	0	0	0	112.7	G106 L107 K108 G113 T114 F115 F407 A410 L541	G106-W110 WeakPolarHBondContact O-CB 3.45Å; G106-W110 PolarHBondContact O-N 2.72Å; L107-W110 HydrophobicContact CD1-CE3 3.97Å; L107-W110 HydrophobicContact CD1-CZ3 4.43Å; L107-W110 PolarHBondContact O-N 2.88Å; K108-W110 PolarHBondContact O-N 2.97Å; W110-G113 PolarHBondContact O-N 3.12Å; W110-T114 HydrophobicContact CZ2-CG2 4.08Å; W110-T114 PolarHBondContact NE1-OG1 3.44Å; W110-T114 WeakPolarHBondContact O-CB 3.39Å; W110-T114 PolarHBondContact O-N 3.12Å; W110-T114 PolarHBondContact O-OG1 3.3Å; W110-F115 HydrophobicContact CE3-CE2 4.49Å; W110-F115 AromaticContact CH2-CE2 3.53Å; W110-F115 HydrophobicContact CH2-CE2 3.53Å; W110-F115 AromaticContact CH2-CZ 3.93Å; W110-F115 HydrophobicContact CH2-CZ 3.93Å; W110-F115 HydrophobicContact CZ2-CE2 4.37Å; W110-F115 HydrophobicContact CZ3-CD2 4.42Å; W110-F115 AromaticContact CZ3-CE2 3.6Å; W110-F115 HydrophobicContact CZ3-CE2 3.6Å; W110-F115 HydrophobicContact CZ3-CZ 4.44Å; W110-F407 AromaticContact CD2-CD2 3.89Å; W110-F407 HydrophobicContact CD2-CD2 3.89Å; W110-F407 AromaticContact CE2-CD2 3.61Å; W110-F407 AromaticContact CE3-CD2 3.91Å; W110-F407 HydrophobicContact CE3-CD2 3.91Å; W110-F407 HydrophobicContact CE3-CE2 4.18Å; W110-F407 AromaticContact CH2-CD2 3.41Å; W110-F407 HydrophobicContact CH2-CD2 3.41Å; W110-F407 VanDerWaalsContact CH2-CD2 3.41Å; W110-F407 AromaticContact CH2-CE2 3.63Å; W110-F407 HydrophobicContact CH2-CE2 3.63Å; W110-F407 HydrophobicContact CH2-CG 4.25Å; W110-F407 HydrophobicContact CZ2-CB 3.92Å; W110-F407 AromaticContact CZ2-CD2 3.39Å; W110-F407 HydrophobicContact CZ2-CD2 3.39Å; W110-F407 HydrophobicContact CZ2-CE2 4.11Å; W110-F407 AromaticContact CZ2-CG 3.92Å; W110-F407 HydrophobicContact CZ2-CG 3.92Å; W110-F407 AromaticContact CZ3-CD2 3.67Å; W110-F407 HydrophobicContact CZ3-CD2 3.67Å; W110-F407 AromaticContact CZ3-CE2 3.66Å; W110-F407 HydrophobicContact CZ3-CE2 3.66Å; W110-A410 HydrophobicContact CB-CB 3.4Å; W110-A410 HydrophobicContact CD2-CB 4.41Å; W110-A410 HydrophobicContact CG-CB 3.62Å; W110-L541 HydrophobicContact CH2-CD2 4.02Å; W110-L541 HydrophobicContact CZ2-CD1 4.5Å; W110-L541 HydrophobicContact CZ2-CD2 4.03Å
111	M	94.9	Very high	92	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-42.6	176.2	-73	-176.1	74.6	0	0	111.7	F84 L107 K108 F115 A117 L496	F84-M111 HydrophobicContact CE2-SD 4.17Å; F84-M111 HydrophobicContact CZ-SD 3.87Å; L107-M111 HydrophobicContact CD1-CG 4.11Å; L107-M111 HydrophobicContact CD1-SD 4.36Å; L107-M111 HydrophobicContact CG-CG 4.48Å; L107-M111 HydrophobicContact CG-SD 4.31Å; L107-M111 WeakPolarHBondContact O-CG 3.24Å; L107-M111 PolarHBondContact O-N 3.17Å; K108-M111 PolarHBondContact O-N 3.21Å; M111-F115 WeakPolarHBondContact O-CB 3.2Å; M111-F115 PolarHBondContact O-N 3.28Å; M111-A117 HydrophobicContact CB-CB 4.23Å; M111-A117 PolarHBondContact O-N 3.07Å; M111-L496 HydrophobicContact SD-CD2 4Å; M111-L496 HydrophobicContact SD-CG 4.5Å
112	E	94.4	Very high	92.1	Very high	64 Å²	64	48 Å²	48	30%	0.299	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-45.5	177.2	-63.3	-173.2	155.8	0	0	110.8	K108 G116 A117	K108-E112 VanDerWaalsContact CE-CD 3.43Å; K108-E112 WeakPolarHBondContact CE-OE1 3.49Å; K108-E112 HydrophobicContact CG-CG 4.38Å; K108-E112 IonicContact NZ-OE1 2.87Å; K108-E112 WeakPolarHBondContact O-CG 3.4Å; K108-E112 PolarHBondContact O-N 3.47Å; E112-G116 WeakPolarHBondContact O-CA 3.41Å; E112-G116 PolarHBondContact O-N 3.35Å; E112-A117 WeakPolarHBondContact CG-O 3.42Å
113	G	93.7	Very high	92.1	Very high	70 Å²	70	47 Å²	47	72%	0.722	27%	0.266	S	S	*	.	H	α-helix	trans	-72.4	-33.7	180	0	0	0	0	0	114.9	D109 W110	D109-G113 PolarHBondContact O-N 3.48Å; W110-G113 PolarHBondContact O-N 3.12Å
114	T	94.1	Very high	91.5	Very high	31 Å²	31	54 Å²	54	19%	0.19	30%	0.298	C	S	.	.	H	α-helix	trans	-84.6	-41.9	-176.8	-54.5	0	0	0	0	111.9	W110 L541	W110-T114 HydrophobicContact CZ2-CG2 4.08Å; W110-T114 PolarHBondContact NE1-OG1 3.44Å; W110-T114 WeakPolarHBondContact O-CB 3.39Å; W110-T114 PolarHBondContact O-N 3.12Å; W110-T114 PolarHBondContact O-OG1 3.3Å; T114-L541 HydrophobicContact CG2-CB 4.23Å; T114-L541 HydrophobicContact CG2-CD1 4.27Å
115	F	95.1	Very high	91.4	Very high	6 Å²	6	55.1 Å²	55.1	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-114.3	-4.6	-170.4	-60.2	-64.5	0	0	0	114	W110 M111 A117 V502 F538 L541 A561 N563	W110-F115 HydrophobicContact CE3-CE2 4.49Å; W110-F115 AromaticContact CH2-CE2 3.53Å; W110-F115 HydrophobicContact CH2-CE2 3.53Å; W110-F115 AromaticContact CH2-CZ 3.93Å; W110-F115 HydrophobicContact CH2-CZ 3.93Å; W110-F115 HydrophobicContact CZ2-CE2 4.37Å; W110-F115 HydrophobicContact CZ3-CD2 4.42Å; W110-F115 AromaticContact CZ3-CE2 3.6Å; W110-F115 HydrophobicContact CZ3-CE2 3.6Å; W110-F115 HydrophobicContact CZ3-CZ 4.44Å; M111-F115 WeakPolarHBondContact O-CB 3.2Å; M111-F115 PolarHBondContact O-N 3.28Å; F115-A117 HydrophobicContact CB-CB 4.27Å; F115-A117 PolarHBondContact O-N 2.98Å; F115-V502 HydrophobicContact CB-CG2 3.83Å; F115-V502 HydrophobicContact CD1-CG1 4.05Å; F115-V502 HydrophobicContact CD1-CG2 4.45Å; F115-V502 HydrophobicContact CD2-CG1 4.09Å; F115-V502 HydrophobicContact CD2-CG2 4Å; F115-V502 HydrophobicContact CE1-CG1 3.97Å; F115-V502 HydrophobicContact CE2-CG1 4.01Å; F115-V502 HydrophobicContact CG-CG1 4.1Å; F115-V502 HydrophobicContact CG-CG2 3.86Å; F115-V502 HydrophobicContact CZ-CG1 3.95Å; F115-F538 WeakPolarHBondContact O-CD1 3.33Å; F115-F538 WeakPolarHBondContact O-CG 3.45Å; F115-L541 HydrophobicContact CE1-CB 3.5Å; F115-L541 VanDerWaalsContact CE1-CB 3.5Å; F115-L541 HydrophobicContact CZ-CB 3.71Å; F115-L541 HydrophobicContact CZ-CD2 3.89Å; F115-L541 HydrophobicContact CZ-CG 4.43Å; F115-A561 HydrophobicContact CE1-CB 3.82Å; F115-A561 HydrophobicContact CZ-CB 3.89Å; F115-N563 HydrophobicContact CB-CB 4.27Å; F115-N563 VanDerWaalsContact O-CB 3.23Å; F115-N563 WeakPolarHBondContact O-CB 3.26Å; F115-N563 PolarHBondContact O-ND2 3.01Å
116	G	92.6	Very high	91.6	Very high	29 Å²	29	54.2 Å²	54.2	30%	0.299	30%	0.301	S	S	.	.			trans	59	25	-165.1	0	0	0	0	0	112.1	E112	E112-G116 WeakPolarHBondContact O-CA 3.41Å; E112-G116 PolarHBondContact O-N 3.35Å
117	A	89.7	Confident	91.5	Very high	9 Å²	9	58.4 Å²	58.4	7%	0.074	32%	0.324	C	S	.	.			trans	-62.8	155.9	176.6	0	0	0	0	0	109.3	M111 E112 F115 V502	M111-A117 HydrophobicContact CB-CB 4.23Å; M111-A117 PolarHBondContact O-N 3.07Å; E112-A117 WeakPolarHBondContact CG-O 3.42Å; F115-A117 HydrophobicContact CB-CB 4.27Å; F115-A117 PolarHBondContact O-N 2.98Å; A117-V502 HydrophobicContact CB-CG2 4.38Å
118	N	88.1	Confident	91.4	Very high	44 Å²	44	63.4 Å²	63.4	24%	0.235	35%	0.354	C	S	.	.			trans	-148.5	131.4	180	174.6	-50.1	0	0	0	109.2	Q120 H121	N118-Q120 PolarHBondContact ND2-OE1 3.34Å; N118-Q120 PolarHBondContact O-N 3.03Å; N118-Q120 VanDerWaalsContact O-N 3.12Å; N118-Q120 WeakPolarHBondContact OD1-CA 3.5Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.39Å; N118-Q120 PolarHBondContact OD1-N 3.47Å; N118-Q120 PolarHBondContact OD1-OE1 2.88Å; N118-H121 PolarHBondContact O-N 3.19Å
119	L	86.5	Confident	91.3	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.147	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.1	-175.7	-61.2	-173.5	0	0	0	114.9	F84 K108 K122 Y500	F84-L119 HydrophobicContact CB-CD2 4.47Å; F84-L119 HydrophobicContact CD1-CD1 4.24Å; F84-L119 HydrophobicContact CD1-CD2 4.09Å; F84-L119 HydrophobicContact CD2-CD2 3.38Å; F84-L119 HydrophobicContact CE1-CD2 4.15Å; F84-L119 HydrophobicContact CE2-CD2 3.42Å; F84-L119 VanDerWaalsContact CE2-CD2 3.42Å; F84-L119 HydrophobicContact CG-CD1 4.24Å; F84-L119 HydrophobicContact CG-CD2 3.72Å; F84-L119 HydrophobicContact CZ-CD2 3.82Å; K108-L119 HydrophobicContact CD-CD1 3.84Å; K108-L119 HydrophobicContact CG-CD1 4.15Å; K108-L119 HydrophobicContact CG-CG 4.49Å; L119-K122 WeakPolarHBondContact O-CE 3.4Å; L119-Y500 HydrophobicContact CB-CE1 4.3Å; L119-Y500 HydrophobicContact CD2-CD1 4.05Å; L119-Y500 HydrophobicContact CD2-CE1 3.57Å
120	Q	88.5	Confident	91.3	Very high	148 Å²	148	60.8 Å²	60.8	69%	0.692	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-24.2	172.2	-61.2	88.3	63.4	0	0	112.6	N118 K122	N118-Q120 PolarHBondContact ND2-OE1 3.34Å; N118-Q120 PolarHBondContact O-N 3.03Å; N118-Q120 VanDerWaalsContact O-N 3.12Å; N118-Q120 WeakPolarHBondContact OD1-CA 3.5Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.39Å; N118-Q120 PolarHBondContact OD1-N 3.47Å; N118-Q120 PolarHBondContact OD1-OE1 2.88Å; Q120-K122 PolarHBondContact O-N 3.17Å
121	H	90.7	Very high	91.3	Very high	68 Å²	68	62.2 Å²	62.2	32%	0.315	36%	0.356	S	S	.	.			trans	-96.1	96.9	177	-60.1	123.6	0	0	0	109.9	N118 Y501 R565	N118-H121 PolarHBondContact O-N 3.19Å; H121-Y501 HydrophobicContact CB-CD2 4.25Å; H121-Y501 HydrophobicContact CB-CE2 4.26Å; H121-R565 PolarHBondContact CD2-NH2 3.46Å; H121-R565 VanDerWaalsContact CD2-NH2 3.32Å; H121-R565 PolarHBondContact CE1-NH1 2.81Å; H121-R565 PolarHBondContact CE1-NH2 3.23Å; H121-R565 PolarHBondContact ND1-NH1 2.82Å; H121-R565 PolarHBondContact NE2-NH2 3.15Å
122	K	91.8	Very high	91.1	Very high	120 Å²	120	67 Å²	67	52%	0.522	39%	0.39	S	S	.	.			trans	-112.7	149	179	-58.6	-171.7	-177.3	-171.2	0	111.2	L119 Q120 D499 Y500 Y501	L119-K122 WeakPolarHBondContact O-CE 3.4Å; Q120-K122 PolarHBondContact O-N 3.17Å; K122-D499 VanDerWaalsContact CA-O 3.31Å; K122-D499 WeakPolarHBondContact CA-O 3.26Å; K122-Y500 HydrophobicContact CD-CE1 4.11Å; K122-Y500 WeakPolarHBondContact CE-OH 3.35Å; K122-Y500 HydrophobicContact CG-CD1 4.19Å; K122-Y500 HydrophobicContact CG-CE1 3.7Å; K122-Y501 WeakPolarHBondContact O-CE2 3.29Å; K122-Y501 PolarHBondContact O-OH 2.62Å
123	T	90.6	Very high	91	Very high	42 Å²	42	66.6 Å²	66.6	26%	0.258	40%	0.397	S	S	.	.			trans	-113.7	141.9	159.7	178.4	0	0	0	0	108.1	M498 D499	T123-M498 WeakPolarHBondContact CG2-O 3.48Å; T123-D499 PolarHBondContact N-O 3.4Å
124	Q	81.8	Confident	91.1	Very high	181 Å²	181	63.8 Å²	63.8	85%	0.846	37%	0.366	S	S	*	.			trans	-98.3	122.3	179.2	-70.4	-170.9	-2.5	0	0	109.1
125	A	90.3	Very high	91	Very high	24 Å²	24	67.8 Å²	67.8	20%	0.198	38%	0.383	C	S	.	.			trans	-67.7	144.8	166.5	0	0	0	0	0	110.4	P127 R177	A125-P127 VanDerWaalsContact O-CD 3.27Å; A125-P127 WeakPolarHBondContact O-CD 3.28Å; A125-P127 VanDerWaalsContact O-N 3.15Å; A125-R177 CarbonylContact C-O 3.58Å; A125-R177 WeakPolarHBondContact CA-O 2.98Å; A125-R177 HydrophobicContact CB-CB 4.15Å; A125-R177 HydrophobicContact CB-CG 4.14Å
126	T	92.3	Very high	91	Very high	39 Å²	39	72.6 Å²	72.6	24%	0.239	41%	0.414	C	S	.	.			trans	-56.3	115.3	167.2	-57.5	0	0	0	0	108.9	W72 N73 V128 R177 G179	W72-T126 HydrophobicContact CH2-CG2 4.07Å; W72-T126 HydrophobicContact CZ2-CG2 4.03Å; W72-T126 VanDerWaalsContact CZ2-O 3.23Å; W72-T126 WeakPolarHBondContact CZ2-O 3.17Å; N73-T126 PolarHBondContact ND2-O 2.97Å; T126-V128 VanDerWaalsContact CG2-O 3.25Å; T126-V128 WeakPolarHBondContact CG2-O 3.37Å; T126-R177 PolarHBondContact N-O 3.48Å; T126-R177 PolarHBondContact OG1-O 2.89Å; T126-R177 VanDerWaalsContact OG1-O 3.12Å; T126-G179 PolarHBondContact OG1-N 3.05Å
127	P	89.6	Confident	91.2	Very high	111 Å²	111	73.2 Å²	73.2	72%	0.721	41%	0.414	S	S	*	.			trans	-79	-31.4	-171.4	29.2	-34.1	0	0	0	112.7	W72 A125	W72-P127 PolarHBondContact NE1-O 3.08Å; A125-P127 VanDerWaalsContact O-CD 3.27Å; A125-P127 WeakPolarHBondContact O-CD 3.28Å; A125-P127 VanDerWaalsContact O-N 3.15Å
128	V	92.1	Very high	91.4	Very high	106 Å²	106	76.9 Å²	76.9	64%	0.642	44%	0.435	S	S	*	.	S	Bend	trans	-130.1	137.1	-175.7	-178.2	0	0	0	0	108.7	T126 N130	T126-V128 VanDerWaalsContact CG2-O 3.25Å; T126-V128 WeakPolarHBondContact CG2-O 3.37Å; V128-N130 PolarHBondContact O-N 3.09Å
129	L	93.5	Very high	91.9	Very high	16 Å²	16	77 Å²	77	8%	0.084	44%	0.435	C	S	.	.			trans	-61	123.8	175.5	-179	66.2	0	0	0	110.5	W72 T131 E159 V162 I181	W72-L129 HydrophobicContact CD2-CB 4.29Å; W72-L129 HydrophobicContact CE3-CB 4.26Å; W72-L129 HydrophobicContact CE3-CD1 4.04Å; W72-L129 HydrophobicContact CH2-CB 4.38Å; W72-L129 HydrophobicContact CH2-CD1 4.14Å; W72-L129 HydrophobicContact CZ2-CB 4.39Å; W72-L129 HydrophobicContact CZ3-CB 4.32Å; W72-L129 HydrophobicContact CZ3-CD1 3.65Å; L129-T131 HydrophobicContact CD2-CG2 4.19Å; L129-T131 HydrophobicContact CG-CG2 4.33Å; L129-T131 PolarHBondContact O-N 2.79Å; L129-E159 HydrophobicContact CD2-CB 4.39Å; L129-E159 HydrophobicContact CD2-CG 4.01Å; L129-V162 HydrophobicContact CD1-CB 4.49Å; L129-V162 HydrophobicContact CD1-CG1 4Å; L129-V162 HydrophobicContact CD1-CG2 4.28Å; L129-V162 HydrophobicContact CD2-CB 4.02Å; L129-V162 HydrophobicContact CD2-CG1 4.28Å; L129-V162 HydrophobicContact CD2-CG2 4.02Å; L129-I181 HydrophobicContact CD1-CD1 3.48Å; L129-I181 VanDerWaalsContact CD1-CD1 3.48Å; L129-I181 HydrophobicContact CD1-CG1 4.42Å
130	N	93.6	Very high	92.4	Very high	96 Å²	96	77.9 Å²	77.9	51%	0.513	44%	0.44	S	S	.	.			trans	-77.9	90.2	168	-178.4	3.9	0	0	0	109.4	V128 S132 A133	V128-N130 PolarHBondContact O-N 3.09Å; N130-S132 PolarHBondContact O-N 3.22Å; N130-S132 WeakPolarHBondContact OD1-CB 3.35Å; N130-S132 PolarHBondContact OD1-N 3.39Å; N130-A133 HydrophobicContact CB-CB 4.23Å; N130-A133 WeakPolarHBondContact O-CB 3.35Å; N130-A133 PolarHBondContact O-N 3.13Å
131	T	93.5	Very high	92.8	Very high	65 Å²	65	76.3 Å²	76.3	40%	0.399	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-60.9	-25.6	-178.7	55.4	0	0	0	0	113.2	L129 A133 V134 A158 E159	L129-T131 HydrophobicContact CD2-CG2 4.19Å; L129-T131 HydrophobicContact CG-CG2 4.33Å; L129-T131 PolarHBondContact O-N 2.79Å; T131-A133 VanDerWaalsContact C-N 3.26Å; T131-A133 PolarHBondContact O-N 3.34Å; T131-V134 WeakPolarHBondContact O-CB 3.17Å; T131-V134 PolarHBondContact O-N 3.09Å; T131-A158 HydrophobicContact CG2-CB 3.92Å; T131-E159 HydrophobicContact CG2-CG 4.19Å
132	S	91.7	Very high	93.2	Very high	110 Å²	110	75.1 Å²	75.1	77%	0.769	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.8	176.5	-57.9	0	0	0	0	113.2	N130 V134	N130-S132 PolarHBondContact O-N 3.22Å; N130-S132 WeakPolarHBondContact OD1-CB 3.35Å; N130-S132 PolarHBondContact OD1-N 3.39Å; S132-V134 VanDerWaalsContact C-N 3.34Å
133	A	91.4	Very high	93.5	Very high	55 Å²	55	69.4 Å²	69.4	46%	0.455	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-85.2	-8.2	173.8	0	0	0	0	0	112.9	N130 T131	N130-A133 HydrophobicContact CB-CB 4.23Å; N130-A133 WeakPolarHBondContact O-CB 3.35Å; N130-A133 PolarHBondContact O-N 3.13Å; T131-A133 VanDerWaalsContact C-N 3.26Å; T131-A133 PolarHBondContact O-N 3.34Å
134	V	95.5	Very high	93.9	Very high	11 Å²	11	67.5 Å²	67.5	7%	0.067	40%	0.398	C	S	.	.	S	Bend	trans	-80.3	130.4	178.2	-176.1	0	0	0	0	109.2	T131 S132 A158 V162 I181 V184	T131-V134 WeakPolarHBondContact O-CB 3.17Å; T131-V134 PolarHBondContact O-N 3.09Å; S132-V134 VanDerWaalsContact C-N 3.34Å; V134-A158 HydrophobicContact CB-CB 4.03Å; V134-A158 HydrophobicContact CG1-CB 4.18Å; V134-A158 HydrophobicContact CG2-CB 4.01Å; V134-V162 HydrophobicContact CG1-CG2 4.11Å; V134-V162 HydrophobicContact CG2-CG2 3.69Å; V134-I181 HydrophobicContact CG2-CD1 3.52Å; V134-I181 HydrophobicContact CG2-CG2 4.38Å; V134-V184 HydrophobicContact CG1-CG2 3.99Å
135	Q	92.5	Very high	94.7	Very high	116 Å²	116	65.2 Å²	65.2	54%	0.542	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-58	134.5	176.9	-66.6	-176.8	-2.6	0	0	110.6	R161	Q135-R161 PolarHBondContact O-NH1 2.98Å; Q135-R161 PolarHBondContact O-NH2 3.16Å
136	P	94.9	Very high	95.1	Very high	106 Å²	106	66.9 Å²	66.9	69%	0.688	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-54.1	143.6	172.7	-25.3	34.5	0	0	0	110.8	T138	P136-T138 PolarHBondContact O-N 3.32Å
137	P	96.3	Very high	95.4	Very high	43 Å²	43	65 Å²	65	28%	0.279	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.3	135.6	-179.7	30.1	-34.4	0	0	0	110.6	L139 H156 D186	P137-L139 HydrophobicContact CB-CD2 3.88Å; P137-L139 HydrophobicContact CB-CG 4.05Å; P137-L139 HydrophobicContact CG-CD1 4.4Å; P137-L139 HydrophobicContact CG-CD2 4.41Å; P137-L139 HydrophobicContact CG-CG 4.21Å; P137-L139 PolarHBondContact O-N 2.85Å; P137-H156 HydrophobicContact CG-CB 4.5Å; P137-D186 HydrophobicContact CB-CB 4.07Å; P137-D186 WeakPolarHBondContact CB-O 3.12Å
138	T	95.5	Very high	95.8	Very high	86 Å²	86	65.2 Å²	65.2	53%	0.528	37%	0.369	S	S	.	.			trans	-90.4	92.3	169.6	-56.8	0	0	0	0	108.3	P136 D186 S233	P136-T138 PolarHBondContact O-N 3.32Å; T138-D186 PolarHBondContact N-OD1 2.87Å; T138-S233 VanDerWaalsContact O-CB 3.26Å; T138-S233 WeakPolarHBondContact O-CB 3.25Å; T138-S233 PolarHBondContact O-OG 2.9Å
139	L	96.8	Very high	96	Very high	45 Å²	45	65.1 Å²	65.1	24%	0.236	37%	0.373	C	S	.	.			trans	-87.2	143	-174	-60.7	178.9	0	0	0	112.1	P137 V144 H156 D186 M187	P137-L139 HydrophobicContact CB-CD2 3.88Å; P137-L139 HydrophobicContact CB-CG 4.05Å; P137-L139 HydrophobicContact CG-CD1 4.4Å; P137-L139 HydrophobicContact CG-CD2 4.41Å; P137-L139 HydrophobicContact CG-CG 4.21Å; P137-L139 PolarHBondContact O-N 2.85Å; L139-V144 HydrophobicContact CB-CG2 4.37Å; L139-H156 WeakPolarHBondContact CD2-ND1 3.49Å; L139-D186 HydrophobicContact CD2-CB 4.3Å; L139-M187 HydrophobicContact CD2-CB 4.28Å
140	N	98	Very high	96.2	Very high	47 Å²	47	66.2 Å²	66.2	25%	0.251	38%	0.38	S	S	.	.			trans	-88.6	103.3	161.7	-176.3	-54.9	0	0	0	108.3	A142 F143 V144 H207 V209	N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 2.92Å; N140-A142 PolarHBondContact OD1-N 3.19Å; N140-F143 HydrophobicContact CB-CB 3.98Å; N140-F143 WeakPolarHBondContact O-CB 3.43Å; N140-F143 PolarHBondContact O-N 2.95Å; N140-F143 PolarHBondContact OD1-N 2.88Å; N140-V144 WeakPolarHBondContact O-CG2 3.4Å; N140-V144 PolarHBondContact O-N 2.93Å; N140-H207 PolarHBondContact ND2-O 2.85Å; N140-V209 HydrophobicContact CB-CG2 4.01Å
141	E	97.6	Very high	96.4	Very high	116 Å²	116	64.7 Å²	64.7	54%	0.542	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-39.8	-172.8	-64.1	-59.3	157.4	0	0	113.1	F143 V144 E145	E141-F143 PolarHBondContact O-N 3.22Å; E141-V144 PolarHBondContact O-N 3.1Å; E141-E145 WeakPolarHBondContact O-CG 3.49Å; E141-E145 PolarHBondContact O-N 3.33Å
142	A	98.3	Very high	96.7	Very high	42 Å²	42	61.8 Å²	61.8	35%	0.347	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-42.5	178.1	0	0	0	0	0	111.8	N140 V144 E145 E146	N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 2.92Å; N140-A142 PolarHBondContact OD1-N 3.19Å; A142-V144 VanDerWaalsContact C-N 3.33Å; A142-V144 PolarHBondContact O-N 3.46Å; A142-E145 PolarHBondContact O-N 2.93Å; A142-E146 PolarHBondContact O-N 3.41Å
143	F	98.6	Very high	97	Very high	1 Å²	1	58 Å²	58	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-43.7	173.1	177.1	-89.1	0	0	0	111.5	N140 E141 E146 L147 M187 L203 A204 H207 V209 V235	N140-F143 HydrophobicContact CB-CB 3.98Å; N140-F143 WeakPolarHBondContact O-CB 3.43Å; N140-F143 PolarHBondContact O-N 2.95Å; N140-F143 PolarHBondContact OD1-N 2.88Å; E141-F143 PolarHBondContact O-N 3.22Å; F143-E146 PolarHBondContact O-N 3.43Å; F143-L147 HydrophobicContact CE1-CB 4.39Å; F143-L147 HydrophobicContact CE1-CD2 3.95Å; F143-L147 WeakPolarHBondContact O-CB 3.37Å; F143-L147 PolarHBondContact O-N 2.96Å; F143-M187 HydrophobicContact CD1-CE 3.61Å; F143-M187 HydrophobicContact CE1-CE 3.35Å; F143-L203 HydrophobicContact CD2-CB 3.73Å; F143-L203 HydrophobicContact CE2-CB 3.54Å; F143-A204 HydrophobicContact CE2-CB 4.28Å; F143-H207 HydrophobicContact CB-CB 3.88Å; F143-H207 HydrophobicContact CD2-CB 4.35Å; F143-V209 HydrophobicContact CB-CG2 3.96Å; F143-V209 HydrophobicContact CD1-CG2 4.44Å; F143-V209 HydrophobicContact CD2-CB 4.28Å; F143-V209 HydrophobicContact CD2-CG2 3.81Å; F143-V209 HydrophobicContact CE2-CB 4.46Å; F143-V209 HydrophobicContact CE2-CG1 4.47Å; F143-V209 HydrophobicContact CE2-CG2 4.45Å; F143-V209 HydrophobicContact CG-CG2 3.81Å; F143-V235 HydrophobicContact CE1-CG2 4.03Å; F143-V235 HydrophobicContact CZ-CG2 4.39Å
144	V	98.4	Very high	97.3	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-65.8	-42.1	-179	172.6	0	0	0	0	111.4	L139 N140 E141 A142 L147 K148 M187	L139-V144 HydrophobicContact CB-CG2 4.37Å; N140-V144 WeakPolarHBondContact O-CG2 3.4Å; N140-V144 PolarHBondContact O-N 2.93Å; E141-V144 PolarHBondContact O-N 3.1Å; A142-V144 VanDerWaalsContact C-N 3.33Å; A142-V144 PolarHBondContact O-N 3.46Å; V144-L147 PolarHBondContact O-N 3.31Å; V144-K148 HydrophobicContact CG1-CD 4.23Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 VanDerWaalsContact O-CG 3.25Å; V144-K148 WeakPolarHBondContact O-CG 3.38Å; V144-K148 PolarHBondContact O-N 3.37Å; V144-M187 HydrophobicContact CG2-CE 3.96Å; V144-M187 HydrophobicContact CG2-SD 4.43Å
145	E	98.2	Very high	97.5	Very high	133 Å²	133	58.2 Å²	58.2	62%	0.621	33%	0.334	S	S	*	.	H	α-helix	trans	-63	-46.5	176.2	-76.1	-175.4	161.1	0	0	112.4	E141 A142 K148 S149	E141-E145 WeakPolarHBondContact O-CG 3.49Å; E141-E145 PolarHBondContact O-N 3.33Å; A142-E145 PolarHBondContact O-N 2.93Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 2.77Å; E145-S149 PolarHBondContact O-N 3.17Å
146	E	98.4	Very high	97.7	Very high	60 Å²	60	55.2 Å²	55.2	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-39.6	177.7	-69.6	-168.8	-141.3	0	0	111.4	A142 F143 K148 S149 T150 L203 K206 H207	A142-E146 PolarHBondContact O-N 3.41Å; F143-E146 PolarHBondContact O-N 3.43Å; E146-K148 VanDerWaalsContact C-N 3.35Å; E146-K148 PolarHBondContact O-N 3.05Å; E146-S149 WeakPolarHBondContact O-CB 3.37Å; E146-S149 PolarHBondContact O-N 2.66Å; E146-S149 VanDerWaalsContact O-N 3.1Å; E146-S149 PolarHBondContact O-OG 3.05Å; E146-T150 WeakPolarHBondContact O-CG2 3.48Å; E146-T150 PolarHBondContact O-N 2.93Å; E146-L203 HydrophobicContact CB-CD1 4.27Å; E146-L203 HydrophobicContact CB-CD2 3.65Å; E146-L203 HydrophobicContact CG-CD2 4.44Å; E146-L203 VanDerWaalsContact OE2-CD2 3.31Å; E146-L203 WeakPolarHBondContact OE2-CD2 3.36Å; E146-K206 WeakPolarHBondContact OE1-CE 3.35Å; E146-K206 IonicContact OE1-NZ 3.95Å; E146-K206 PolarHBondContact OE1-NZ 2.79Å; E146-K206 IonicContact OE2-NZ 2.6Å; E146-K206 PolarHBondContact OE2-NZ 3.17Å; E146-H207 IonicContact OE1-CE1 3.44Å; E146-H207 PolarHBondContact OE1-CE1 2.61Å; E146-H207 IonicContact OE1-NE2 3.74Å; E146-H207 PolarHBondContact OE1-NE2 3.41Å; E146-H207 IonicContact OE2-NE2 3.66Å
147	L	98.3	Very high	97.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-43.1	174.4	-174.8	70.3	0	0	0	111.4	F143 V144 S149 T150 I152 F154 M187 V189 I200 L203	F143-L147 HydrophobicContact CE1-CB 4.39Å; F143-L147 HydrophobicContact CE1-CD2 3.95Å; F143-L147 WeakPolarHBondContact O-CB 3.37Å; F143-L147 PolarHBondContact O-N 2.96Å; V144-L147 PolarHBondContact O-N 3.31Å; L147-S149 PolarHBondContact O-N 3.43Å; L147-T150 WeakPolarHBondContact O-CB 3.5Å; L147-T150 PolarHBondContact O-N 3.4Å; L147-T150 PolarHBondContact O-OG1 3.22Å; L147-I152 HydrophobicContact CD1-CB 4.06Å; L147-I152 HydrophobicContact CD1-CD1 4.23Å; L147-I152 HydrophobicContact CD1-CG2 4.33Å; L147-F154 HydrophobicContact CD2-CB 3.96Å; L147-F154 HydrophobicContact CD2-CD1 3.91Å; L147-F154 HydrophobicContact CD2-CG 4.03Å; L147-F154 HydrophobicContact CG-CD1 4.32Å; L147-M187 HydrophobicContact CD2-CE 4.25Å; L147-M187 HydrophobicContact CD2-SD 3.98Å; L147-V189 HydrophobicContact CD2-CG1 3.55Å; L147-I200 HydrophobicContact CD1-CG1 4.18Å; L147-L203 HydrophobicContact CB-CD1 4.39Å; L147-L203 HydrophobicContact CD1-CD1 4.4Å
148	K	97.9	Very high	97.9	Very high	115 Å²	115	54.1 Å²	54.1	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-54.8	-40.3	174.3	-77.3	165.2	-177.8	167	0	111.7	V144 E145 E146 T150 G151 F154	V144-K148 HydrophobicContact CG1-CD 4.23Å; V144-K148 WeakPolarHBondContact O-CB 3.35Å; V144-K148 VanDerWaalsContact O-CG 3.25Å; V144-K148 WeakPolarHBondContact O-CG 3.38Å; V144-K148 PolarHBondContact O-N 3.37Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 2.77Å; E146-K148 VanDerWaalsContact C-N 3.35Å; E146-K148 PolarHBondContact O-N 3.05Å; K148-T150 PolarHBondContact O-N 3.29Å; K148-G151 PolarHBondContact O-N 2.91Å; K148-F154 HydrophobicContact CB-CE1 4.49Å; K148-F154 HydrophobicContact CD-CZ 4.23Å; K148-F154 HydrophobicContact CG-CE1 3.52Å; K148-F154 HydrophobicContact CG-CZ 3.52Å
149	S	97.6	Very high	98	Very high	103 Å²	103	53.8 Å²	53.8	72%	0.72	30%	0.297	S	S	*	.	H	α-helix	trans	-65.3	-23.5	179.1	82.5	0	0	0	0	113.8	E145 E146 L147 G151	E145-S149 PolarHBondContact O-N 3.17Å; E146-S149 WeakPolarHBondContact O-CB 3.37Å; E146-S149 PolarHBondContact O-N 2.66Å; E146-S149 VanDerWaalsContact O-N 3.1Å; E146-S149 PolarHBondContact O-OG 3.05Å; L147-S149 PolarHBondContact O-N 3.43Å; S149-G151 VanDerWaalsContact C-N 3.33Å
150	T	97.8	Very high	98.1	Very high	39 Å²	39	51.9 Å²	51.9	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-76.1	-19.8	177.8	72.1	0	0	0	0	113.5	E146 L147 K148 I152 K199 L203	E146-T150 WeakPolarHBondContact O-CG2 3.48Å; E146-T150 PolarHBondContact O-N 2.93Å; L147-T150 WeakPolarHBondContact O-CB 3.5Å; L147-T150 PolarHBondContact O-N 3.4Å; L147-T150 PolarHBondContact O-OG1 3.22Å; K148-T150 PolarHBondContact O-N 3.29Å; T150-I152 PolarHBondContact O-N 3.35Å; T150-I152 WeakPolarHBondContact OG1-CB 3.27Å; T150-I152 WeakPolarHBondContact OG1-CD1 3.49Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.44Å; T150-I152 PolarHBondContact OG1-N 3.44Å; T150-I152 VanDerWaalsContact OG1-N 3.14Å; T150-K199 HydrophobicContact CG2-CD 4.39Å; T150-L203 HydrophobicContact CG2-CD1 4.19Å
151	G	97.8	Very high	98.1	Very high	64 Å²	64	49.9 Å²	49.9	66%	0.66	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.9	-171.3	0	0	0	0	0	114.8	K148 S149 P153	K148-G151 PolarHBondContact O-N 2.91Å; S149-G151 VanDerWaalsContact C-N 3.33Å; G151-P153 WeakPolarHBondContact O-CD 3.29Å
152	I	98.5	Very high	98.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	25%	0.251	C	S	.	.			trans	-67.4	125.2	175.7	-64.9	167.9	0	0	0	108.9	L147 T150 D196 K199 I200	L147-I152 HydrophobicContact CD1-CB 4.06Å; L147-I152 HydrophobicContact CD1-CD1 4.23Å; L147-I152 HydrophobicContact CD1-CG2 4.33Å; T150-I152 PolarHBondContact O-N 3.35Å; T150-I152 WeakPolarHBondContact OG1-CB 3.27Å; T150-I152 WeakPolarHBondContact OG1-CD1 3.49Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.44Å; T150-I152 PolarHBondContact OG1-N 3.44Å; T150-I152 VanDerWaalsContact OG1-N 3.14Å; I152-D196 HydrophobicContact CD1-CB 3.72Å; I152-D196 HydrophobicContact CG1-CB 4.03Å; I152-K199 HydrophobicContact CD1-CB 4.46Å; I152-I200 HydrophobicContact CD1-CD1 4.14Å; I152-I200 HydrophobicContact CD1-CG1 3.86Å; I152-I200 HydrophobicContact CG2-CD1 4.23Å
153	P	98.3	Very high	98.1	Very high	31 Å²	31	43.2 Å²	43.2	20%	0.201	24%	0.237	C	C	.	.			trans	-64	138.7	178.7	-24.3	36.3	0	0	0	112.4	G151 W190	G151-P153 WeakPolarHBondContact O-CD 3.29Å; P153-W190 HydrophobicContact CB-CE3 4.32Å; P153-W190 PolarHBondContact O-N 3.38Å
154	F	98.6	Very high	98.1	Very high	58 Å²	58	43.2 Å²	43.2	25%	0.254	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166	176.5	67	-90.5	0	0	0	111.5	L147 K148 H156 M187 V188 V189	L147-F154 HydrophobicContact CD2-CB 3.96Å; L147-F154 HydrophobicContact CD2-CD1 3.91Å; L147-F154 HydrophobicContact CD2-CG 4.03Å; L147-F154 HydrophobicContact CG-CD1 4.32Å; K148-F154 HydrophobicContact CB-CE1 4.49Å; K148-F154 HydrophobicContact CD-CZ 4.23Å; K148-F154 HydrophobicContact CG-CE1 3.52Å; K148-F154 HydrophobicContact CG-CZ 3.52Å; F154-H156 AromaticContact CD2-CE1 3.85Å; F154-H156 AromaticContact CD2-NE2 3.62Å; F154-H156 AromaticContact CE2-CD2 3.96Å; F154-H156 AromaticContact CE2-CE1 3.96Å; F154-H156 AromaticContact CE2-NE2 3.29Å; F154-H156 VanDerWaalsContact CE2-NE2 3.29Å; F154-H156 WeakPolarHBondContact CE2-NE2 3.39Å; F154-M187 HydrophobicContact CB-CG 4.26Å; F154-M187 HydrophobicContact CB-SD 3.83Å; F154-M187 HydrophobicContact CD2-SD 3.7Å; F154-M187 HydrophobicContact CG-SD 3.93Å; F154-V188 CarbonylContact C-O 3.58Å; F154-V188 WeakPolarHBondContact CA-O 3.36Å; F154-V188 VanDerWaalsContact CB-O 3.25Å; F154-V188 WeakPolarHBondContact CB-O 3.09Å; F154-V189 HydrophobicContact CB-CG1 3.92Å
155	S	98.5	Very high	98.1	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	144.8	178.6	179.1	0	0	0	0	111.5	E157 D160 M187 V188	S155-E157 WeakPolarHBondContact OG-CB 3.38Å; S155-E157 WeakPolarHBondContact OG-CG 3.45Å; S155-E157 PolarHBondContact OG-N 3.41Å; S155-E157 VanDerWaalsContact OG-N 3.1Å; S155-D160 VanDerWaalsContact CB-OD2 3.25Å; S155-D160 WeakPolarHBondContact CB-OD2 3.31Å; S155-D160 PolarHBondContact OG-OD2 3.34Å; S155-M187 WeakPolarHBondContact O-CA 3.41Å; S155-V188 PolarHBondContact N-O 2.96Å; S155-V188 PolarHBondContact O-N 2.78Å
156	H	96.9	Very high	98.2	Very high	52 Å²	52	38 Å²	38	24%	0.241	22%	0.215	C	C	.	.			trans	-110.8	4.5	170.6	-53.9	-56.6	0	0	0	112.1	P137 L139 F154 R161 M187	P137-H156 HydrophobicContact CG-CB 4.5Å; L139-H156 WeakPolarHBondContact CD2-ND1 3.49Å; F154-H156 AromaticContact CD2-CE1 3.85Å; F154-H156 AromaticContact CD2-NE2 3.62Å; F154-H156 AromaticContact CE2-CD2 3.96Å; F154-H156 AromaticContact CE2-CE1 3.96Å; F154-H156 AromaticContact CE2-NE2 3.29Å; F154-H156 VanDerWaalsContact CE2-NE2 3.29Å; F154-H156 WeakPolarHBondContact CE2-NE2 3.39Å; H156-R161 WeakPolarHBondContact O-CD 3.4Å; H156-M187 PolarHBondContact CE1-SD 3.39Å
157	E	97.9	Very high	98.1	Very high	112 Å²	112	35.1 Å²	35.1	52%	0.523	20%	0.201	S	C	.	.			trans	-64.2	138.4	-176.2	-63.6	-57.3	141.1	0	0	111.1	S155 E159 D160 R161	S155-E157 WeakPolarHBondContact OG-CB 3.38Å; S155-E157 WeakPolarHBondContact OG-CG 3.45Å; S155-E157 PolarHBondContact OG-N 3.41Å; S155-E157 VanDerWaalsContact OG-N 3.1Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.28Å; E157-D160 HydrophobicContact CB-CB 4.48Å; E157-D160 PolarHBondContact O-N 3.32Å; E157-R161 WeakPolarHBondContact O-CD 3.38Å; E157-R161 VanDerWaalsContact O-CG 3.3Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.01Å; E157-R161 VanDerWaalsContact O-N 3.11Å
158	A	97.8	Very high	98.1	Very high	15 Å²	15	36.3 Å²	36.3	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-40.5	-177.9	0	0	0	0	0	112.3	T131 V134 R161 V162	T131-A158 HydrophobicContact CG2-CB 3.92Å; V134-A158 HydrophobicContact CB-CB 4.03Å; V134-A158 HydrophobicContact CG1-CB 4.18Å; V134-A158 HydrophobicContact CG2-CB 4.01Å; A158-R161 PolarHBondContact O-N 3.05Å; A158-V162 WeakPolarHBondContact O-CB 3.19Å; A158-V162 VanDerWaalsContact O-CG2 3.23Å; A158-V162 WeakPolarHBondContact O-CG2 3.4Å; A158-V162 PolarHBondContact O-N 2.95Å
159	E	97.4	Very high	98.2	Very high	79 Å²	79	30.9 Å²	30.9	37%	0.369	18%	0.183	S	C	.	.	H	α-helix	trans	-62.1	-46.6	178.4	-63.1	-177.9	165.1	0	0	112.1	Q67 L129 T131 E157 R161 V162 F163	Q67-E159 PolarHBondContact NE2-OE2 3.34Å; L129-E159 HydrophobicContact CD2-CB 4.39Å; L129-E159 HydrophobicContact CD2-CG 4.01Å; T131-E159 HydrophobicContact CG2-CG 4.19Å; E157-E159 VanDerWaalsContact C-N 3.28Å; E157-E159 PolarHBondContact O-N 3.28Å; E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.11Å; E159-V162 PolarHBondContact O-N 2.78Å; E159-F163 WeakPolarHBondContact O-CB 3.38Å; E159-F163 PolarHBondContact O-N 2.85Å
160	D	98.5	Very high	98.2	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-38	-178.7	-70.2	-32.7	0	0	0	111.7	S155 E157 R164 V188 W190	S155-D160 VanDerWaalsContact CB-OD2 3.25Å; S155-D160 WeakPolarHBondContact CB-OD2 3.31Å; S155-D160 PolarHBondContact OG-OD2 3.34Å; E157-D160 HydrophobicContact CB-CB 4.48Å; E157-D160 PolarHBondContact O-N 3.32Å; D160-R164 PolarHBondContact O-NH1 2.62Å; D160-R164 IonicContact OD1-NH1 2.67Å; D160-V188 HydrophobicContact CB-CG2 4.1Å; D160-W190 HydrophobicContact CB-CH2 4.47Å
161	R	98.7	Very high	98.2	Very high	6 Å²	6	26 Å²	26	2%	0.023	15%	0.147	C	C	.	.	H	α-helix	trans	-69.5	-49.2	178.2	-68.2	164.4	61	-145.3	-1	111.4	Q135 H156 E157 A158 E159 R164 A165 V184 P185 V188	Q135-R161 PolarHBondContact O-NH1 2.98Å; Q135-R161 PolarHBondContact O-NH2 3.16Å; H156-R161 WeakPolarHBondContact O-CD 3.4Å; E157-R161 WeakPolarHBondContact O-CD 3.38Å; E157-R161 VanDerWaalsContact O-CG 3.3Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.01Å; E157-R161 VanDerWaalsContact O-N 3.11Å; A158-R161 PolarHBondContact O-N 3.05Å; E159-R161 VanDerWaalsContact C-N 3.32Å; E159-R161 PolarHBondContact O-N 3.11Å; R161-R164 PolarHBondContact O-N 3.43Å; R161-A165 PolarHBondContact O-N 3.23Å; R161-V184 HydrophobicContact CB-CG2 4.35Å; R161-P185 WeakPolarHBondContact CG-O 3.37Å; R161-P185 PolarHBondContact NE-O 2.9Å; R161-P185 PolarHBondContact NH2-O 3.32Å; R161-V188 HydrophobicContact CG-CG2 4.38Å
162	V	98.4	Very high	98.2	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.018	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-45	-179.9	170	0	0	0	0	110.9	L129 V134 A158 E159 R164 A165 H166 L176 I181 V184	L129-V162 HydrophobicContact CD1-CB 4.49Å; L129-V162 HydrophobicContact CD1-CG1 4Å; L129-V162 HydrophobicContact CD1-CG2 4.28Å; L129-V162 HydrophobicContact CD2-CB 4.02Å; L129-V162 HydrophobicContact CD2-CG1 4.28Å; L129-V162 HydrophobicContact CD2-CG2 4.02Å; V134-V162 HydrophobicContact CG1-CG2 4.11Å; V134-V162 HydrophobicContact CG2-CG2 3.69Å; A158-V162 WeakPolarHBondContact O-CB 3.19Å; A158-V162 VanDerWaalsContact O-CG2 3.23Å; A158-V162 WeakPolarHBondContact O-CG2 3.4Å; A158-V162 PolarHBondContact O-N 2.95Å; E159-V162 PolarHBondContact O-N 2.78Å; V162-R164 PolarHBondContact O-N 3.1Å; V162-A165 WeakPolarHBondContact O-CB 3.45Å; V162-A165 PolarHBondContact O-N 3.35Å; V162-H166 PolarHBondContact O-CD2 3.09Å; V162-H166 VanDerWaalsContact O-CD2 3.25Å; V162-L176 HydrophobicContact CG1-CD2 3.93Å; V162-I181 HydrophobicContact CG2-CD1 4.48Å; V162-I181 HydrophobicContact CG2-CG2 4Å; V162-V184 HydrophobicContact CG2-CG1 4.1Å
163	F	98.5	Very high	98.2	Very high	14 Å²	14	23.5 Å²	23.5	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-56.4	-27.9	178.9	-160.2	-74.1	0	0	0	112.6	R66 Q67 M70 W72 E159 Y214	R66-F163 HydrophobicContact CB-CD1 3.82Å; R66-F163 HydrophobicContact CB-CD2 3.99Å; R66-F163 HydrophobicContact CB-CE1 3.5Å; R66-F163 VanDerWaalsContact CB-CE1 3.5Å; R66-F163 HydrophobicContact CB-CE2 3.64Å; R66-F163 HydrophobicContact CB-CG 4.09Å; R66-F163 HydrophobicContact CB-CZ 3.4Å; R66-F163 VanDerWaalsContact CB-CZ 3.4Å; R66-F163 HydrophobicContact CG-CD1 4.24Å; R66-F163 HydrophobicContact CG-CE1 3.99Å; R66-F163 HydrophobicContact CG-CZ 4.34Å; Q67-F163 HydrophobicContact CB-CD2 4.43Å; M70-F163 HydrophobicContact CB-CE2 4.03Å; M70-F163 HydrophobicContact CB-CZ 3.74Å; M70-F163 HydrophobicContact CG-CZ 4.4Å; M70-F163 HydrophobicContact SD-CE1 4.46Å; M70-F163 HydrophobicContact SD-CZ 3.98Å; W72-F163 HydrophobicContact CB-CD2 4.46Å; E159-F163 WeakPolarHBondContact O-CB 3.38Å; E159-F163 PolarHBondContact O-N 2.85Å; F163-Y214 PolarHBondContact O-OH 3.49Å; F163-Y214 VanDerWaalsContact O-OH 3.04Å
164	R	98.6	Very high	98.2	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8.8	-176.8	-66.1	174	-179.4	77.9	1.2	114.3	R64 D160 R161 V162 Y214 S236 D238	R64-R164 PolarHBondContact O-NH2 3.5Å; D160-R164 PolarHBondContact O-NH1 2.62Å; D160-R164 IonicContact OD1-NH1 2.67Å; R161-R164 PolarHBondContact O-N 3.43Å; V162-R164 PolarHBondContact O-N 3.1Å; R164-Y214 VanDerWaalsContact CA-CE2 3.46Å; R164-Y214 HydrophobicContact CB-CD2 3.92Å; R164-Y214 HydrophobicContact CB-CE2 3.89Å; R164-Y214 HydrophobicContact CB-CG 4.32Å; R164-Y214 HydrophobicContact CG-CD1 4Å; R164-Y214 HydrophobicContact CG-CD2 4.1Å; R164-Y214 HydrophobicContact CG-CE1 3.85Å; R164-Y214 HydrophobicContact CG-CE2 3.97Å; R164-Y214 HydrophobicContact CG-CG 4.11Å; R164-S236 WeakPolarHBondContact CB-OG 3.45Å; R164-S236 WeakPolarHBondContact CD-OG 3.22Å; R164-D238 IonicContact CZ-OD2 2.94Å; R164-D238 IonicContact NE-OD2 2.67Å; R164-D238 PolarHBondContact NE-OD2 3.37Å; R164-D238 IonicContact NH2-OD2 3.62Å; R164-D238 PolarHBondContact NH2-OD2 3.12Å
165	A	98.3	Very high	98.1	Very high	12 Å²	12	21.5 Å²	21.5	10%	0.099	11%	0.111	C	C	.	.	S	Bend	trans	-92.1	-3.3	179.8	0	0	0	0	0	113.7	R161 V162 V184	R161-A165 PolarHBondContact O-N 3.23Å; V162-A165 WeakPolarHBondContact O-CB 3.45Å; V162-A165 PolarHBondContact O-N 3.35Å; A165-V184 HydrophobicContact CB-CB 3.85Å; A165-V184 HydrophobicContact CB-CG1 3.61Å
166	H	98.4	Very high	98	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.056	11%	0.11	C	C	.	.			trans	-144.2	161.1	-171.2	67.5	89.7	0	0	0	113.2	V162 E172 L176	V162-H166 PolarHBondContact O-CD2 3.09Å; V162-H166 VanDerWaalsContact O-CD2 3.25Å; H166-E172 WeakPolarHBondContact CA-OE1 3.5Å; H166-E172 HydrophobicContact CB-CB 4.06Å; H166-E172 HydrophobicContact CB-CG 4.32Å; H166-L176 VanDerWaalsContact CD2-CD1 3.5Å; H166-L176 WeakPolarHBondContact CD2-CD1 3.39Å; H166-L176 WeakPolarHBondContact NE2-CD1 3.34Å
167	G	98.1	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.			trans	-99.6	-135.8	159.1	0	0	0	0	0	112	E172 G217 S219	G167-E172 WeakPolarHBondContact CA-OE2 3.48Å; G167-E172 VanDerWaalsContact N-CD 3.27Å; G167-E172 PolarHBondContact N-OE1 3.25Å; G167-E172 PolarHBondContact N-OE2 2.84Å; G167-G217 WeakPolarHBondContact CA-O 3.29Å; G167-S219 CarbonylContact C-O 3.55Å; G167-S219 WeakPolarHBondContact CA-O 3.4Å
168	H	98.6	Very high	97.7	Very high	25 Å²	25	18.8 Å²	18.8	12%	0.116	10%	0.097	C	C	.	.	S	Bend	trans	-129.2	29.5	-179.8	-72.5	-86.2	0	0	0	112.3	W75 E172 G217 S219 V220 R494	W75-H168 AromaticContact CE3-CD2 3.86Å; W75-H168 AromaticContact CE3-CE1 3.54Å; W75-H168 AromaticContact CE3-CG 3.83Å; W75-H168 AromaticContact CE3-ND1 3.64Å; W75-H168 AromaticContact CE3-NE2 3.64Å; W75-H168 AromaticContact CZ3-CD2 3.84Å; W75-H168 AromaticContact CZ3-NE2 3.84Å; H168-E172 PolarHBondContact N-OE2 2.86Å; H168-G217 PolarHBondContact CD2-O 2.92Å; H168-S219 PolarHBondContact N-O 3.41Å; H168-V220 HydrophobicContact CB-CG1 4.22Å; H168-R494 PolarHBondContact O-NH1 3.02Å; H168-R494 PolarHBondContact O-NH2 3.38Å
169	C	98.4	Very high	97.4	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	11%	0.105	C	C	.	.			trans	-64.2	154.6	164.8	-66.5	0	0	0	0	110.4	H171 E172 I173 S221 S222 E505	C169-H171 PolarHBondContact O-N 3.27Å; C169-E172 HydrophobicContact CB-CG 4.02Å; C169-E172 VanDerWaalsContact CB-OE2 3.24Å; C169-E172 WeakPolarHBondContact CB-OE2 3.39Å; C169-E172 PolarHBondContact N-OE2 3.03Å; C169-E172 WeakPolarHBondContact O-CB 3.25Å; C169-E172 PolarHBondContact O-N 2.73Å; C169-I173 PolarHBondContact O-N 2.78Å; C169-I173 VanDerWaalsContact O-N 3.14Å; C169-S221 PolarHBondContact SG-N 3.08Å; C169-S222 PolarHBondContact SG-N 2.83Å; C169-S222 PolarHBondContact SG-OG 3Å; C169-E505 WeakPolarHBondContact CA-OE2 3Å
170	L	98.1	Very high	97.2	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-45.6	-177.2	-177.9	151.8	0	0	0	112.6	E172 I173 F174 M498 I503 E505 V571 Y574	L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 2.79Å; L170-I173 PolarHBondContact O-N 2.75Å; L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 3.4Å; L170-M498 HydrophobicContact CG-CE 4.23Å; L170-I503 HydrophobicContact CD1-CB 3.95Å; L170-I503 HydrophobicContact CD2-CD1 4.42Å; L170-E505 HydrophobicContact CB-CB 4.36Å; L170-E505 HydrophobicContact CD1-CB 4.39Å; L170-E505 PolarHBondContact N-OE2 3.48Å; L170-V571 HydrophobicContact CD2-CG1 4.33Å; L170-V571 HydrophobicContact CD2-CG2 4.2Å; L170-Y574 HydrophobicContact CB-CE1 4.45Å; L170-Y574 HydrophobicContact CD1-CD1 3.78Å; L170-Y574 HydrophobicContact CD1-CD2 3.55Å; L170-Y574 HydrophobicContact CD1-CE1 3.83Å; L170-Y574 HydrophobicContact CD1-CE2 3.63Å; L170-Y574 HydrophobicContact CD1-CG 3.68Å; L170-Y574 HydrophobicContact CD2-CD1 4.32Å; L170-Y574 HydrophobicContact CD2-CG 4.27Å; L170-Y574 HydrophobicContact CG-CD1 4.44Å
171	H	98.1	Very high	96.8	Very high	38 Å²	38	23.6 Å²	23.6	18%	0.176	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-37	179.8	57.3	-106.2	0	0	0	111.9	C169 A175 S222 V571 E575	C169-H171 PolarHBondContact O-N 3.27Å; H171-A175 VanDerWaalsContact O-CB 3.27Å; H171-A175 WeakPolarHBondContact O-CB 3.35Å; H171-A175 PolarHBondContact O-N 2.88Å; H171-S222 PolarHBondContact CE1-OG 3.42Å; H171-S222 PolarHBondContact NE2-OG 3.1Å; H171-V571 HydrophobicContact CB-CG1 3.58Å; H171-E575 IonicContact CE1-OE1 3.14Å; H171-E575 IonicContact CG-OE1 2.7Å; H171-E575 IonicContact ND1-OE1 3.05Å; H171-E575 PolarHBondContact ND1-OE1 3.36Å
172	E	98.1	Very high	96.4	Very high	13 Å²	13	25.8 Å²	25.8	6%	0.061	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-52	178.8	-62.1	176.7	117	0	0	110.2	H166 G167 H168 C169 L170 A175 L176	H166-E172 WeakPolarHBondContact CA-OE1 3.5Å; H166-E172 HydrophobicContact CB-CB 4.06Å; H166-E172 HydrophobicContact CB-CG 4.32Å; G167-E172 WeakPolarHBondContact CA-OE2 3.48Å; G167-E172 VanDerWaalsContact N-CD 3.27Å; G167-E172 PolarHBondContact N-OE1 3.25Å; G167-E172 PolarHBondContact N-OE2 2.84Å; H168-E172 PolarHBondContact N-OE2 2.86Å; C169-E172 HydrophobicContact CB-CG 4.02Å; C169-E172 VanDerWaalsContact CB-OE2 3.24Å; C169-E172 WeakPolarHBondContact CB-OE2 3.39Å; C169-E172 PolarHBondContact N-OE2 3.03Å; C169-E172 WeakPolarHBondContact O-CB 3.25Å; C169-E172 PolarHBondContact O-N 2.73Å; L170-E172 VanDerWaalsContact C-N 3.3Å; L170-E172 PolarHBondContact O-N 2.79Å; E172-A175 PolarHBondContact O-N 2.76Å; E172-L176 WeakPolarHBondContact O-CG 3.07Å; E172-L176 PolarHBondContact O-N 3.39Å; E172-L176 VanDerWaalsContact O-N 3.13Å
173	I	97.9	Very high	96.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-38.7	-178.9	-59	-55.5	0	0	0	111.5	C169 L170 L176 R177 M498	C169-I173 PolarHBondContact O-N 2.78Å; C169-I173 VanDerWaalsContact O-N 3.14Å; L170-I173 PolarHBondContact O-N 2.75Å; I173-L176 HydrophobicContact CD1-CD1 4.34Å; I173-L176 PolarHBondContact O-N 2.67Å; I173-R177 HydrophobicContact CG2-CG 4.39Å; I173-R177 WeakPolarHBondContact O-CB 3.12Å; I173-R177 VanDerWaalsContact O-CG 3.26Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.86Å; I173-M498 HydrophobicContact CB-CE 4.49Å; I173-M498 HydrophobicContact CG2-CE 4.27Å; I173-M498 HydrophobicContact CG2-SD 4.04Å
174	F	97.4	Very high	96.3	Very high	18 Å²	18	27.4 Å²	27.4	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-45.2	176.8	-165.3	-86.8	0	0	0	111.2	L170 L176 R177 E178 M498 I503 Y564 P570 V571	L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 3.4Å; F174-L176 PolarHBondContact O-N 3.48Å; F174-R177 PolarHBondContact O-N 2.86Å; F174-E178 HydrophobicContact CD1-CG 4.15Å; F174-E178 HydrophobicContact CE1-CG 3.92Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.4Å; F174-E178 WeakPolarHBondContact CE1-OE2 3.3Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.47Å; F174-E178 PolarHBondContact O-N 3.5Å; F174-M498 HydrophobicContact CB-CE 4.5Å; F174-I503 HydrophobicContact CD2-CG2 3.97Å; F174-I503 HydrophobicContact CE2-CG2 3.98Å; F174-Y564 HydrophobicContact CE2-CE1 4.34Å; F174-P570 HydrophobicContact CE1-CG 4.46Å; F174-P570 HydrophobicContact CE2-CG 4.4Å; F174-P570 HydrophobicContact CZ-CG 3.85Å; F174-V571 HydrophobicContact CB-CG2 3.96Å; F174-V571 HydrophobicContact CD1-CG2 3.36Å; F174-V571 HydrophobicContact CD2-CG2 4.11Å; F174-V571 HydrophobicContact CE1-CG2 3.76Å; F174-V571 HydrophobicContact CE2-CG2 4.47Å; F174-V571 HydrophobicContact CG-CG2 3.54Å; F174-V571 HydrophobicContact CZ-CG2 4.32Å
175	A	96.7	Very high	96.3	Very high	30 Å²	30	27.4 Å²	27.4	25%	0.248	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-47.1	177.1	0	0	0	0	0	112.1	H171 E172 R177 E178 G179 K180	H171-A175 VanDerWaalsContact O-CB 3.27Å; H171-A175 WeakPolarHBondContact O-CB 3.35Å; H171-A175 PolarHBondContact O-N 2.88Å; E172-A175 PolarHBondContact O-N 2.76Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 3.01Å; A175-E178 CarbonylContact O-C 3.55Å; A175-E178 PolarHBondContact O-N 3.35Å; A175-E178 VanDerWaalsContact O-N 3.17Å; A175-G179 PolarHBondContact O-N 3.33Å; A175-G179 VanDerWaalsContact O-N 3.1Å; A175-K180 CarbonylContact C-O 3.57Å; A175-K180 HydrophobicContact CB-CB 4.21Å; A175-K180 PolarHBondContact O-N 3.01Å
176	L	96.4	Very high	96.3	Very high	11 Å²	11	26.8 Å²	26.8	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-41.9	177.2	-66	168.9	0	0	0	112.3	W72 N73 V162 H166 E172 I173 F174 E178 G179	W72-L176 HydrophobicContact CE3-CD2 4.45Å; W72-L176 WeakPolarHBondContact CH2-O 3.36Å; W72-L176 HydrophobicContact CZ3-CB 4.21Å; W72-L176 HydrophobicContact CZ3-CD2 4.18Å; N73-L176 HydrophobicContact CB-CB 4.1Å; V162-L176 HydrophobicContact CG1-CD2 3.93Å; H166-L176 VanDerWaalsContact CD2-CD1 3.5Å; H166-L176 WeakPolarHBondContact CD2-CD1 3.39Å; H166-L176 WeakPolarHBondContact NE2-CD1 3.34Å; E172-L176 WeakPolarHBondContact O-CG 3.07Å; E172-L176 PolarHBondContact O-N 3.39Å; E172-L176 VanDerWaalsContact O-N 3.13Å; I173-L176 HydrophobicContact CD1-CD1 4.34Å; I173-L176 PolarHBondContact O-N 2.67Å; F174-L176 PolarHBondContact O-N 3.48Å; L176-E178 VanDerWaalsContact C-N 3.28Å; L176-E178 PolarHBondContact O-N 3.32Å; L176-G179 PolarHBondContact O-N 3.27Å
177	R	95.6	Very high	96.3	Very high	22 Å²	22	26.3 Å²	26.3	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-26.1	178.7	-71.9	172.8	60.7	88	1.6	113.3	N73 A125 T126 I173 F174 A175 G179 M498 D499	N73-R177 HydrophobicContact CB-CG 4.29Å; N73-R177 VanDerWaalsContact O-CG 3.26Å; N73-R177 WeakPolarHBondContact O-CG 3.38Å; A125-R177 CarbonylContact C-O 3.58Å; A125-R177 WeakPolarHBondContact CA-O 2.98Å; A125-R177 HydrophobicContact CB-CB 4.15Å; A125-R177 HydrophobicContact CB-CG 4.14Å; T126-R177 PolarHBondContact N-O 3.48Å; T126-R177 PolarHBondContact OG1-O 2.89Å; T126-R177 VanDerWaalsContact OG1-O 3.12Å; I173-R177 HydrophobicContact CG2-CG 4.39Å; I173-R177 WeakPolarHBondContact O-CB 3.12Å; I173-R177 VanDerWaalsContact O-CG 3.26Å; I173-R177 WeakPolarHBondContact O-CG 3.43Å; I173-R177 PolarHBondContact O-N 2.86Å; F174-R177 PolarHBondContact O-N 2.86Å; A175-R177 VanDerWaalsContact C-N 3.32Å; A175-R177 PolarHBondContact O-N 3.01Å; R177-G179 VanDerWaalsContact C-N 3.33Å; R177-M498 WeakPolarHBondContact CD-SD 3.44Å; R177-D499 IonicContact CZ-OD1 2.95Å; R177-D499 IonicContact NH1-OD1 3.48Å; R177-D499 IonicContact NH2-OD1 3.73Å; R177-D499 PolarHBondContact NH2-OD1 2.9Å
178	E	94.3	Very high	96.4	Very high	87 Å²	87	26.3 Å²	26.3	41%	0.407	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	0.2	171.5	-67.2	-164.5	145.6	0	0	113.2	F174 A175 L176 K180	F174-E178 HydrophobicContact CD1-CG 4.15Å; F174-E178 HydrophobicContact CE1-CG 3.92Å; F174-E178 WeakPolarHBondContact CE1-OE1 3.4Å; F174-E178 WeakPolarHBondContact CE1-OE2 3.3Å; F174-E178 WeakPolarHBondContact CZ-OE1 3.47Å; F174-E178 PolarHBondContact O-N 3.5Å; A175-E178 CarbonylContact O-C 3.55Å; A175-E178 PolarHBondContact O-N 3.35Å; A175-E178 VanDerWaalsContact O-N 3.17Å; L176-E178 VanDerWaalsContact C-N 3.28Å; L176-E178 PolarHBondContact O-N 3.32Å; E178-K180 HydrophobicContact CB-CD 4.28Å; E178-K180 HydrophobicContact CB-CG 4.25Å; E178-K180 PolarHBondContact O-N 3.33Å; E178-K180 VanDerWaalsContact OE2-CE 3.26Å; E178-K180 WeakPolarHBondContact OE2-CE 3.49Å; E178-K180 IonicContact OE2-NZ 3.03Å; E178-K180 PolarHBondContact OE2-NZ 3.43Å
179	G	91.6	Very high	96.4	Very high	29 Å²	29	25.1 Å²	25.1	30%	0.299	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	17.3	-176.7	0	0	0	0	0	113.7	T126 A175 L176 R177	T126-G179 PolarHBondContact OG1-N 3.05Å; A175-G179 PolarHBondContact O-N 3.33Å; A175-G179 VanDerWaalsContact O-N 3.1Å; L176-G179 PolarHBondContact O-N 3.27Å; R177-G179 VanDerWaalsContact C-N 3.33Å
180	K	92.2	Very high	96.4	Very high	129 Å²	129	25.4 Å²	25.4	56%	0.561	14%	0.142	S	C	*	.			trans	-85.8	116.1	175.3	-67.8	174.5	179.2	164	0	109	A175 E178	A175-K180 CarbonylContact C-O 3.57Å; A175-K180 HydrophobicContact CB-CB 4.21Å; A175-K180 PolarHBondContact O-N 3.01Å; E178-K180 HydrophobicContact CB-CD 4.28Å; E178-K180 HydrophobicContact CB-CG 4.25Å; E178-K180 PolarHBondContact O-N 3.33Å; E178-K180 VanDerWaalsContact OE2-CE 3.26Å; E178-K180 WeakPolarHBondContact OE2-CE 3.49Å; E178-K180 IonicContact OE2-NZ 3.03Å; E178-K180 PolarHBondContact OE2-NZ 3.43Å
181	I	90.6	Very high	96.4	Very high	40 Å²	40	25.3 Å²	25.3	21%	0.205	14%	0.141	C	C	.	.			trans	-114.4	118.8	-176.1	-52.6	174.7	0	0	0	108.2	L129 V134 V162 V184	L129-I181 HydrophobicContact CD1-CD1 3.48Å; L129-I181 VanDerWaalsContact CD1-CD1 3.48Å; L129-I181 HydrophobicContact CD1-CG1 4.42Å; V134-I181 HydrophobicContact CG2-CD1 3.52Å; V134-I181 HydrophobicContact CG2-CG2 4.38Å; V162-I181 HydrophobicContact CG2-CD1 4.48Å; V162-I181 HydrophobicContact CG2-CG2 4Å; I181-V184 HydrophobicContact CG2-CG1 3.74Å
182	G	90.8	Very high	96.4	Very high	53 Å²	53	25.3 Å²	25.3	55%	0.546	14%	0.143	S	C	.	.			trans	-83.9	-153.1	177.7	0	0	0	0	0	113.2	V184	G182-V184 PolarHBondContact O-N 3.47Å
183	R	95.9	Very high	96.4	Very high	47 Å²	47	26.5 Å²	26.5	18%	0.177	15%	0.152	C	C	.	.			trans	-65.9	126.8	170.1	-177.9	65.4	172.2	121.9	-9.5	108.9	D186 C226 R232 I234	R183-D186 IonicContact CZ-OD1 3.12Å; R183-D186 IonicContact CZ-OD2 3.21Å; R183-D186 VanDerWaalsContact NH1-CG 3.34Å; R183-D186 IonicContact NH1-OD1 3.3Å; R183-D186 PolarHBondContact NH1-OD1 2.88Å; R183-D186 IonicContact NH1-OD2 3.95Å; R183-D186 PolarHBondContact NH1-OD2 3.1Å; R183-D186 IonicContact NH2-OD1 3.17Å; R183-D186 IonicContact NH2-OD2 2.72Å; R183-D186 PolarHBondContact NH2-OD2 2.87Å; R183-C226 HydrophobicContact CB-CB 4.06Å; R183-C226 HydrophobicContact CG-CB 3.58Å; R183-R232 PolarHBondContact NH2-O 2.93Å; R183-I234 HydrophobicContact CG-CD1 4.42Å
184	V	98.1	Very high	96.5	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	16%	0.157	C	C	.	.			trans	-118	160.3	176	-57	0	0	0	0	110	V134 R161 V162 A165 I181 G182	V134-V184 HydrophobicContact CG1-CG2 3.99Å; R161-V184 HydrophobicContact CB-CG2 4.35Å; V162-V184 HydrophobicContact CG2-CG1 4.1Å; A165-V184 HydrophobicContact CB-CB 3.85Å; A165-V184 HydrophobicContact CB-CG1 3.61Å; I181-V184 HydrophobicContact CG2-CG1 3.74Å; G182-V184 PolarHBondContact O-N 3.47Å
185	P	98.7	Very high	96.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	18%	0.18	C	C	.	.			trans	-53	147.6	169.5	-24.6	34.3	0	0	0	111.2	R161 C226 I234	R161-P185 WeakPolarHBondContact CG-O 3.37Å; R161-P185 PolarHBondContact NE-O 2.9Å; R161-P185 PolarHBondContact NH2-O 3.32Å; P185-C226 VanDerWaalsContact CD-SG 3.53Å; P185-I234 CarbonylContact C-O 3.52Å; P185-I234 HydrophobicContact CB-CG2 4.29Å
186	D	98.8	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-80.3	-24.8	175.5	-60.5	-62.3	0	0	0	112	P137 T138 L139 R183 S233 I234	P137-D186 HydrophobicContact CB-CB 4.07Å; P137-D186 WeakPolarHBondContact CB-O 3.12Å; T138-D186 PolarHBondContact N-OD1 2.87Å; L139-D186 HydrophobicContact CD2-CB 4.3Å; R183-D186 IonicContact CZ-OD1 3.12Å; R183-D186 IonicContact CZ-OD2 3.21Å; R183-D186 VanDerWaalsContact NH1-CG 3.34Å; R183-D186 IonicContact NH1-OD1 3.3Å; R183-D186 PolarHBondContact NH1-OD1 2.88Å; R183-D186 IonicContact NH1-OD2 3.95Å; R183-D186 PolarHBondContact NH1-OD2 3.1Å; R183-D186 IonicContact NH2-OD1 3.17Å; R183-D186 IonicContact NH2-OD2 2.72Å; R183-D186 PolarHBondContact NH2-OD2 2.87Å; D186-S233 WeakPolarHBondContact OD2-CA 3.29Å; D186-I234 PolarHBondContact N-O 3.44Å; D186-I234 PolarHBondContact OD2-N 3.14Å
187	M	98.5	Very high	96.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.4	177.8	167	169.6	47.5	0	0	111	L139 F143 V144 L147 F154 S155 H156 V189 I234 V235 S236	L139-M187 HydrophobicContact CD2-CB 4.28Å; F143-M187 HydrophobicContact CD1-CE 3.61Å; F143-M187 HydrophobicContact CE1-CE 3.35Å; V144-M187 HydrophobicContact CG2-CE 3.96Å; V144-M187 HydrophobicContact CG2-SD 4.43Å; L147-M187 HydrophobicContact CD2-CE 4.25Å; L147-M187 HydrophobicContact CD2-SD 3.98Å; F154-M187 HydrophobicContact CB-CG 4.26Å; F154-M187 HydrophobicContact CB-SD 3.83Å; F154-M187 HydrophobicContact CD2-SD 3.7Å; F154-M187 HydrophobicContact CG-SD 3.93Å; S155-M187 WeakPolarHBondContact O-CA 3.41Å; H156-M187 PolarHBondContact CE1-SD 3.39Å; M187-V189 HydrophobicContact CG-CG1 4.16Å; M187-V189 HydrophobicContact SD-CG1 4.16Å; M187-I234 PolarHBondContact N-O 3.08Å; M187-V235 HydrophobicContact CB-CG2 4.34Å; M187-V235 HydrophobicContact CE-CG2 3.67Å; M187-V235 WeakPolarHBondContact O-CA 3.49Å; M187-S236 PolarHBondContact O-N 3.49Å
188	V	98.9	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.3	169.1	-174.5	0	0	0	0	109.5	F154 S155 D160 R161 W190 S236 D238	F154-V188 CarbonylContact C-O 3.58Å; F154-V188 WeakPolarHBondContact CA-O 3.36Å; F154-V188 VanDerWaalsContact CB-O 3.25Å; F154-V188 WeakPolarHBondContact CB-O 3.09Å; S155-V188 PolarHBondContact N-O 2.96Å; S155-V188 PolarHBondContact O-N 2.78Å; D160-V188 HydrophobicContact CB-CG2 4.1Å; R161-V188 HydrophobicContact CG-CG2 4.38Å; V188-W190 HydrophobicContact CB-CH2 4.07Å; V188-W190 HydrophobicContact CB-CZ2 4.1Å; V188-W190 HydrophobicContact CG1-CD2 4.19Å; V188-W190 HydrophobicContact CG1-CH2 3.91Å; V188-W190 HydrophobicContact CG1-CZ2 3.46Å; V188-W190 VanDerWaalsContact CG1-CZ2 3.46Å; V188-W190 HydrophobicContact CG1-CZ3 4.41Å; V188-S236 WeakPolarHBondContact CA-O 3.4Å; V188-D238 HydrophobicContact CG1-CB 4.14Å
189	V	98.9	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.7	173.3	-57.7	0	0	0	0	110.9	L147 F154 M187 P191 I200 V235 S236 L237 D238	L147-V189 HydrophobicContact CD2-CG1 3.55Å; F154-V189 HydrophobicContact CB-CG1 3.92Å; M187-V189 HydrophobicContact CG-CG1 4.16Å; M187-V189 HydrophobicContact SD-CG1 4.16Å; V189-P191 WeakPolarHBondContact O-CD 3.39Å; V189-I200 HydrophobicContact CB-CD1 4.46Å; V189-I200 HydrophobicContact CG2-CD1 3.89Å; V189-I200 HydrophobicContact CG2-CG2 4.36Å; V189-V235 HydrophobicContact CB-CG1 4.25Å; V189-V235 HydrophobicContact CG1-CG1 3.64Å; V189-V235 HydrophobicContact CG2-CG1 3.64Å; V189-S236 PolarHBondContact N-O 2.88Å; V189-L237 HydrophobicContact CG2-CB 4.16Å; V189-L237 HydrophobicContact CG2-CG 4.08Å; V189-D238 PolarHBondContact O-N 3.44Å
190	W	98.8	Very high	97.5	Very high	8 Å²	8	30 Å²	30	3%	0.03	16%	0.161	C	C	.	.			trans	-122.4	84.5	-179.2	-65.4	-80.1	0	0	0	111.7	R64 P153 D160 V188 N192 D238 Q241	R64-W190 HydrophobicContact CB-CD2 4.3Å; R64-W190 HydrophobicContact CB-CH2 4.41Å; R64-W190 HydrophobicContact CB-CZ2 3.89Å; R64-W190 HydrophobicContact CG-CD2 3.91Å; R64-W190 HydrophobicContact CG-CG 3.97Å; R64-W190 HydrophobicContact CG-CZ2 4.41Å; P153-W190 HydrophobicContact CB-CE3 4.32Å; P153-W190 PolarHBondContact O-N 3.38Å; D160-W190 HydrophobicContact CB-CH2 4.47Å; V188-W190 HydrophobicContact CB-CH2 4.07Å; V188-W190 HydrophobicContact CB-CZ2 4.1Å; V188-W190 HydrophobicContact CG1-CD2 4.19Å; V188-W190 HydrophobicContact CG1-CH2 3.91Å; V188-W190 HydrophobicContact CG1-CZ2 3.46Å; V188-W190 VanDerWaalsContact CG1-CZ2 3.46Å; V188-W190 HydrophobicContact CG1-CZ3 4.41Å; W190-N192 PolarHBondContact O-ND2 3.05Å; W190-D238 PolarHBondContact NE1-OD2 3.15Å; W190-Q241 HydrophobicContact CB-CB 4.46Å; W190-Q241 HydrophobicContact CB-CG 3.89Å; W190-Q241 HydrophobicContact CG-CG 4.13Å
191	P	98.7	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-59.6	142.5	169.9	26.8	-36.1	0	0	0	110.9	V189 D196 V197 I200 L237 D238	V189-P191 WeakPolarHBondContact O-CD 3.39Å; P191-D196 HydrophobicContact CB-CB 3.58Å; P191-V197 HydrophobicContact CB-CG2 3.66Å; P191-V197 HydrophobicContact CG-CG2 3.8Å; P191-I200 HydrophobicContact CB-CD1 3.97Å; P191-I200 HydrophobicContact CG-CD1 4.23Å; P191-L237 HydrophobicContact CG-CD2 3.82Å; P191-L237 HydrophobicContact CG-CG 4.42Å; P191-D238 WeakPolarHBondContact CD-O 3.39Å
192	N	97.4	Very high	98.2	Very high	39 Å²	39	27.9 Å²	27.9	21%	0.209	15%	0.152	C	C	.	.			trans	-105	-5.6	176.4	-59.5	-83.1	0	0	0	112.5	W190 D196 R244	W190-N192 PolarHBondContact O-ND2 3.05Å; N192-D196 PolarHBondContact N-OD2 3.02Å; N192-R244 PolarHBondContact O-NH2 2.71Å
193	C	98.6	Very high	98.6	Very high	38 Å²	38	26.2 Å²	26.2	26%	0.257	13%	0.131	S	C	.	.	S	Bend	trans	-161.7	172.5	179.3	67.8	0	0	0	0	111.6	N195 D196 V197	C193-N195 VanDerWaalsContact C-N 3.31Å; C193-N195 PolarHBondContact O-N 3.29Å; C193-D196 WeakPolarHBondContact O-CB 3.4Å; C193-D196 PolarHBondContact O-N 3.17Å; C193-V197 PolarHBondContact O-N 2.87Å
194	H	98.9	Very high	98.7	Very high	23 Å²	23	24 Å²	24	11%	0.106	12%	0.123	C	C	.	.	H	α-helix	trans	-51.7	-45	175.2	173	77.3	0	0	0	113.5	D196 V197 V198 K316 V318 T354 E355	H194-D196 VanDerWaalsContact C-N 3.3Å; H194-D196 PolarHBondContact O-N 3.47Å; H194-V197 WeakPolarHBondContact O-CB 3.37Å; H194-V197 PolarHBondContact O-N 3.36Å; H194-V197 VanDerWaalsContact O-N 3.08Å; H194-V198 PolarHBondContact O-N 3.44Å; H194-K316 VanDerWaalsContact CE1-CD 3.49Å; H194-K316 WeakPolarHBondContact CE1-CD 3.49Å; H194-V318 WeakPolarHBondContact CE1-CG2 3.33Å; H194-T354 PolarHBondContact ND1-OG1 2.99Å; H194-E355 WeakPolarHBondContact CB-OE1 3.41Å
195	N	98.8	Very high	98.8	Very high	104 Å²	104	26 Å²	26	56%	0.556	14%	0.137	S	C	*	.	H	α-helix	trans	-67	-29.5	-176.9	-69.8	-20.5	0	0	0	113.2	C193 V197 V198 K199	C193-N195 VanDerWaalsContact C-N 3.31Å; C193-N195 PolarHBondContact O-N 3.29Å; N195-V197 VanDerWaalsContact C-N 3.32Å; N195-V198 PolarHBondContact O-N 3.03Å; N195-K199 WeakPolarHBondContact O-CG 3.5Å; N195-K199 PolarHBondContact O-N 3.19Å; N195-K199 VanDerWaalsContact O-N 3.1Å
196	D	98.9	Very high	98.8	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-41.2	173	-69.7	-14.5	0	0	0	110.2	I152 P191 N192 C193 H194 K199 I200	I152-D196 HydrophobicContact CD1-CB 3.72Å; I152-D196 HydrophobicContact CG1-CB 4.03Å; P191-D196 HydrophobicContact CB-CB 3.58Å; N192-D196 PolarHBondContact N-OD2 3.02Å; C193-D196 WeakPolarHBondContact O-CB 3.4Å; C193-D196 PolarHBondContact O-N 3.17Å; H194-D196 VanDerWaalsContact C-N 3.3Å; H194-D196 PolarHBondContact O-N 3.47Å; D196-K199 PolarHBondContact O-N 3.31Å; D196-I200 WeakPolarHBondContact O-CD1 3.4Å; D196-I200 VanDerWaalsContact O-CG1 3.23Å; D196-I200 WeakPolarHBondContact O-CG1 3.03Å; D196-I200 PolarHBondContact O-N 3.33Å
197	V	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176.5	-179.1	0	0	0	0	111.2	P191 C193 H194 N195 K199 I200 V201 L237 M242 V318 V352 T354	P191-V197 HydrophobicContact CB-CG2 3.66Å; P191-V197 HydrophobicContact CG-CG2 3.8Å; C193-V197 PolarHBondContact O-N 2.87Å; H194-V197 WeakPolarHBondContact O-CB 3.37Å; H194-V197 PolarHBondContact O-N 3.36Å; H194-V197 VanDerWaalsContact O-N 3.08Å; N195-V197 VanDerWaalsContact C-N 3.32Å; V197-K199 PolarHBondContact O-N 3.02Å; V197-I200 PolarHBondContact O-N 2.97Å; V197-V201 HydrophobicContact CG1-CG2 4.35Å; V197-V201 WeakPolarHBondContact O-CG2 3.43Å; V197-V201 PolarHBondContact O-N 3.29Å; V197-L237 HydrophobicContact CG1-CD1 4.46Å; V197-M242 HydrophobicContact CG2-CE 4.39Å; V197-M242 HydrophobicContact CG2-SD 4.22Å; V197-V318 HydrophobicContact CB-CG2 4.35Å; V197-V318 HydrophobicContact CG1-CB 3.89Å; V197-V318 HydrophobicContact CG1-CG1 4.25Å; V197-V318 HydrophobicContact CG1-CG2 3.94Å; V197-V352 HydrophobicContact CG1-CB 3.65Å; V197-V352 HydrophobicContact CG1-CG1 3.88Å; V197-V352 HydrophobicContact CG1-CG2 3.83Å; V197-V352 HydrophobicContact CG2-CG1 4.48Å; V197-T354 HydrophobicContact CB-CG2 3.89Å; V197-T354 HydrophobicContact CG1-CG2 3.85Å; V197-T354 HydrophobicContact CG2-CG2 3.92Å
198	V	98.9	Very high	98.8	Very high	32 Å²	32	37.6 Å²	37.6	19%	0.194	19%	0.191	C	C	.	.	H	α-helix	trans	-54.2	-52.6	174	173.3	0	0	0	0	110.4	H194 N195 I200 V201 E202 V318 V323	H194-V198 PolarHBondContact O-N 3.44Å; N195-V198 PolarHBondContact O-N 3.03Å; V198-I200 PolarHBondContact O-N 3.08Å; V198-V201 PolarHBondContact O-N 3.43Å; V198-E202 HydrophobicContact CG1-CG 4.4Å; V198-E202 WeakPolarHBondContact O-CG 3.23Å; V198-E202 PolarHBondContact O-N 3.34Å; V198-V318 HydrophobicContact CG2-CG1 4.25Å; V198-V318 HydrophobicContact CG2-CG2 3.78Å; V198-V323 HydrophobicContact CG2-CG2 4.49Å
199	K	98.9	Very high	98.8	Very high	89 Å²	89	37.6 Å²	37.6	39%	0.387	19%	0.191	S	C	.	.	H	α-helix	trans	-59.5	-44.5	178.8	-69.5	173.2	-176.7	174.9	0	112.6	T150 I152 N195 D196 V197 V201 E202 L203	T150-K199 HydrophobicContact CG2-CD 4.39Å; I152-K199 HydrophobicContact CD1-CB 4.46Å; N195-K199 WeakPolarHBondContact O-CG 3.5Å; N195-K199 PolarHBondContact O-N 3.19Å; N195-K199 VanDerWaalsContact O-N 3.1Å; D196-K199 PolarHBondContact O-N 3.31Å; V197-K199 PolarHBondContact O-N 3.02Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 3.25Å; K199-E202 PolarHBondContact O-N 3.2Å; K199-L203 WeakPolarHBondContact O-CB 3.39Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.22Å; K199-L203 PolarHBondContact O-N 3.46Å
200	I	98.9	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-43.8	178.7	-67.3	158.1	0	0	0	110.6	L147 I152 V189 P191 D196 V197 V198 L203 A204 L211 L237	L147-I200 HydrophobicContact CD1-CG1 4.18Å; I152-I200 HydrophobicContact CD1-CD1 4.14Å; I152-I200 HydrophobicContact CD1-CG1 3.86Å; I152-I200 HydrophobicContact CG2-CD1 4.23Å; V189-I200 HydrophobicContact CB-CD1 4.46Å; V189-I200 HydrophobicContact CG2-CD1 3.89Å; V189-I200 HydrophobicContact CG2-CG2 4.36Å; P191-I200 HydrophobicContact CB-CD1 3.97Å; P191-I200 HydrophobicContact CG-CD1 4.23Å; D196-I200 WeakPolarHBondContact O-CD1 3.4Å; D196-I200 VanDerWaalsContact O-CG1 3.23Å; D196-I200 WeakPolarHBondContact O-CG1 3.03Å; D196-I200 PolarHBondContact O-N 3.33Å; V197-I200 PolarHBondContact O-N 2.97Å; V198-I200 PolarHBondContact O-N 3.08Å; I200-L203 PolarHBondContact O-N 2.88Å; I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.42Å; I200-A204 PolarHBondContact O-N 2.92Å; I200-L211 HydrophobicContact CG2-CD1 4.21Å; I200-L211 HydrophobicContact CG2-CD2 4.22Å; I200-L237 HydrophobicContact CB-CD1 4.41Å; I200-L237 HydrophobicContact CD1-CD1 4.42Å; I200-L237 HydrophobicContact CG2-CD1 3.81Å
201	V	98.9	Very high	98.8	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-41	-179.9	174.4	0	0	0	0	111.3	V197 V198 K199 A204 C205 L211 V318 P320 F631	V197-V201 HydrophobicContact CG1-CG2 4.35Å; V197-V201 WeakPolarHBondContact O-CG2 3.43Å; V197-V201 PolarHBondContact O-N 3.29Å; V198-V201 PolarHBondContact O-N 3.43Å; K199-V201 VanDerWaalsContact C-N 3.32Å; K199-V201 PolarHBondContact O-N 3.25Å; V201-A204 PolarHBondContact O-N 3.05Å; V201-C205 PolarHBondContact O-N 3Å; V201-C205 PolarHBondContact O-SG 2.69Å; V201-L211 HydrophobicContact CG2-CD1 3.91Å; V201-V318 HydrophobicContact CB-CG1 3.97Å; V201-V318 HydrophobicContact CG1-CG1 4.25Å; V201-V318 HydrophobicContact CG2-CG1 3.82Å; V201-P320 HydrophobicContact CG1-CG 4.37Å; V201-F631 HydrophobicContact CG1-CE2 4.33Å; V201-F631 HydrophobicContact CG2-CE2 4.26Å; V201-F631 HydrophobicContact CG2-CZ 3.78Å
202	E	98.9	Very high	98.8	Very high	120 Å²	120	37.3 Å²	37.3	56%	0.561	19%	0.19	S	C	*	.	H	α-helix	trans	-59.3	-47.6	173.9	-73.4	172.8	167.9	0	0	111.7	V198 K199 A204 C205 K206	V198-E202 HydrophobicContact CG1-CG 4.4Å; V198-E202 WeakPolarHBondContact O-CG 3.23Å; V198-E202 PolarHBondContact O-N 3.34Å; K199-E202 PolarHBondContact O-N 3.2Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.3Å; E202-C205 PolarHBondContact O-N 3.5Å; E202-K206 WeakPolarHBondContact O-CB 3.32Å; E202-K206 PolarHBondContact O-N 2.84Å
203	L	98.9	Very high	98.9	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-40.8	175.7	-69.1	177.6	0	0	0	111.5	F143 E146 L147 T150 K199 I200 C205 K206 H207	F143-L203 HydrophobicContact CD2-CB 3.73Å; F143-L203 HydrophobicContact CE2-CB 3.54Å; E146-L203 HydrophobicContact CB-CD1 4.27Å; E146-L203 HydrophobicContact CB-CD2 3.65Å; E146-L203 HydrophobicContact CG-CD2 4.44Å; E146-L203 VanDerWaalsContact OE2-CD2 3.31Å; E146-L203 WeakPolarHBondContact OE2-CD2 3.36Å; L147-L203 HydrophobicContact CB-CD1 4.39Å; L147-L203 HydrophobicContact CD1-CD1 4.4Å; T150-L203 HydrophobicContact CG2-CD1 4.19Å; K199-L203 WeakPolarHBondContact O-CB 3.39Å; K199-L203 VanDerWaalsContact O-CG 3.27Å; K199-L203 WeakPolarHBondContact O-CG 3.22Å; K199-L203 PolarHBondContact O-N 3.46Å; I200-L203 PolarHBondContact O-N 2.88Å; L203-C205 VanDerWaalsContact C-N 3.32Å; L203-C205 PolarHBondContact O-N 3.36Å; L203-K206 PolarHBondContact O-N 2.76Å; L203-H207 PolarHBondContact O-CD2 3.14Å; L203-H207 PolarHBondContact O-N 2.93Å
204	A	98.9	Very high	98.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-39.3	178.7	0	0	0	0	0	111.9	F143 I200 V201 E202 N208 V209 L211 I630	F143-A204 HydrophobicContact CE2-CB 4.28Å; I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.42Å; I200-A204 PolarHBondContact O-N 2.92Å; V201-A204 PolarHBondContact O-N 3.05Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.3Å; A204-N208 VanDerWaalsContact O-CA 3.32Å; A204-N208 WeakPolarHBondContact O-CA 3.42Å; A204-N208 PolarHBondContact O-N 3.28Å; A204-V209 HydrophobicContact CB-CB 4.17Å; A204-V209 PolarHBondContact O-N 3.01Å; A204-L211 HydrophobicContact CB-CD1 3.71Å; A204-L211 HydrophobicContact CB-CD2 3.92Å; A204-L211 HydrophobicContact CB-CG 3.78Å; A204-I630 HydrophobicContact CB-CG2 3.89Å
205	C	98.9	Very high	98.8	Very high	46 Å²	46	34.7 Å²	34.7	31%	0.311	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-46.2	172.3	-65.2	0	0	0	0	111.6	V201 E202 L203 H207	V201-C205 PolarHBondContact O-N 3Å; V201-C205 PolarHBondContact O-SG 2.69Å; E202-C205 PolarHBondContact O-N 3.5Å; L203-C205 VanDerWaalsContact C-N 3.32Å; L203-C205 PolarHBondContact O-N 3.36Å; C205-H207 VanDerWaalsContact C-N 3.33Å; C205-H207 PolarHBondContact O-N 2.82Å
206	K	98.8	Very high	98.8	Very high	132 Å²	132	30.2 Å²	30.2	57%	0.574	16%	0.158	S	C	*	.	H	α-helix	trans	-61.4	-38.9	-179.4	-177.3	179.3	177.1	-173.2	0	112.8	E146 E202 L203	E146-K206 WeakPolarHBondContact OE1-CE 3.35Å; E146-K206 IonicContact OE1-NZ 3.95Å; E146-K206 PolarHBondContact OE1-NZ 2.79Å; E146-K206 IonicContact OE2-NZ 2.6Å; E146-K206 PolarHBondContact OE2-NZ 3.17Å; E202-K206 WeakPolarHBondContact O-CB 3.32Å; E202-K206 PolarHBondContact O-N 2.84Å; L203-K206 PolarHBondContact O-N 2.76Å
207	H	98.8	Very high	98.8	Very high	26 Å²	26	29.2 Å²	29.2	12%	0.12	15%	0.153	C	C	.	.	H	α-helix	trans	-107.5	5.4	-172.6	-59.5	-68.2	0	0	0	114.1	N140 F143 E146 L203 C205 V209	N140-H207 PolarHBondContact ND2-O 2.85Å; F143-H207 HydrophobicContact CB-CB 3.88Å; F143-H207 HydrophobicContact CD2-CB 4.35Å; E146-H207 IonicContact OE1-CE1 3.44Å; E146-H207 PolarHBondContact OE1-CE1 2.61Å; E146-H207 IonicContact OE1-NE2 3.74Å; E146-H207 PolarHBondContact OE1-NE2 3.41Å; E146-H207 IonicContact OE2-NE2 3.66Å; L203-H207 PolarHBondContact O-CD2 3.14Å; L203-H207 PolarHBondContact O-N 2.93Å; C205-H207 VanDerWaalsContact C-N 3.33Å; C205-H207 PolarHBondContact O-N 2.82Å; H207-V209 HydrophobicContact CB-CG2 4.11Å
208	N	98.6	Very high	98.8	Very high	86 Å²	86	30.8 Å²	30.8	46%	0.46	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	55.2	-176.8	-171.3	29.8	0	0	0	112.8	A204 R232	A204-N208 VanDerWaalsContact O-CA 3.32Å; A204-N208 WeakPolarHBondContact O-CA 3.42Å; A204-N208 PolarHBondContact O-N 3.28Å; N208-R232 WeakPolarHBondContact O-CD 3.25Å; N208-R232 WeakPolarHBondContact OD1-CD 3.1Å; N208-R232 PolarHBondContact OD1-NH1 3.42Å
209	V	98.8	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.			trans	-100.8	136.4	177.6	171.6	0	0	0	0	109.4	N140 F143 A204 H207 L211 S233 V235	N140-V209 HydrophobicContact CB-CG2 4.01Å; F143-V209 HydrophobicContact CB-CG2 3.96Å; F143-V209 HydrophobicContact CD1-CG2 4.44Å; F143-V209 HydrophobicContact CD2-CB 4.28Å; F143-V209 HydrophobicContact CD2-CG2 3.81Å; F143-V209 HydrophobicContact CE2-CB 4.46Å; F143-V209 HydrophobicContact CE2-CG1 4.47Å; F143-V209 HydrophobicContact CE2-CG2 4.45Å; F143-V209 HydrophobicContact CG-CG2 3.81Å; A204-V209 HydrophobicContact CB-CB 4.17Å; A204-V209 PolarHBondContact O-N 3.01Å; H207-V209 HydrophobicContact CB-CG2 4.11Å; V209-L211 HydrophobicContact CG1-CD2 4.28Å; V209-S233 WeakPolarHBondContact CG1-O 3.26Å; V209-V235 HydrophobicContact CG1-CB 4.21Å; V209-V235 HydrophobicContact CG1-CG2 3.48Å; V209-V235 VanDerWaalsContact CG1-CG2 3.48Å
210	C	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.2	175.7	-179.2	0	0	0	0	109.7	E230 R232 S233 I234 V235 I630 G632	C210-E230 HydrophobicContact CB-CG 4.17Å; C210-R232 HydrophobicContact CB-CB 4.32Å; C210-S233 PolarHBondContact N-O 3.38Å; C210-I234 HydrophobicContact CB-CG1 4.21Å; C210-I234 CarbonylContact O-C 3.34Å; C210-I234 WeakPolarHBondContact O-CA 3.35Å; C210-V235 PolarHBondContact O-N 2.8Å; C210-I630 CarbonylContact C-O 3.41Å; C210-I630 WeakPolarHBondContact CA-O 3.34Å; C210-G632 VanDerWaalsContact SG-CA 3.58Å
211	L	98.9	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.8	177.3	-58.6	-175.1	0	0	0	110.5	I200 V201 A204 V209 V235 L237 I630 F631 G632	I200-L211 HydrophobicContact CG2-CD1 4.21Å; I200-L211 HydrophobicContact CG2-CD2 4.22Å; V201-L211 HydrophobicContact CG2-CD1 3.91Å; A204-L211 HydrophobicContact CB-CD1 3.71Å; A204-L211 HydrophobicContact CB-CD2 3.92Å; A204-L211 HydrophobicContact CB-CG 3.78Å; V209-L211 HydrophobicContact CG1-CD2 4.28Å; L211-V235 WeakPolarHBondContact CA-O 3.48Å; L211-V235 HydrophobicContact CD2-CB 3.75Å; L211-V235 HydrophobicContact CD2-CG1 4.16Å; L211-L237 HydrophobicContact CD1-CD1 4.28Å; L211-I630 HydrophobicContact CB-CG2 4.35Å; L211-I630 HydrophobicContact CD1-CG2 3.9Å; L211-I630 HydrophobicContact CG-CG2 3.84Å; L211-I630 PolarHBondContact N-O 2.82Å; L211-F631 HydrophobicContact CB-CD1 4.3Å; L211-F631 HydrophobicContact CB-CE1 4.13Å; L211-F631 HydrophobicContact CD1-CE1 4.33Å; L211-F631 HydrophobicContact CD1-CZ 4.01Å; L211-F631 WeakPolarHBondContact O-CA 3.45Å; L211-G632 PolarHBondContact O-N 2.91Å
212	I	98.9	Very high	98.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.5	168.6	-58.4	-175.7	0	0	0	107.9	L224 I234 V235 S236 L237 N633	I212-L224 HydrophobicContact CG2-CD2 4.37Å; I212-I234 HydrophobicContact CD1-CG2 3.84Å; I212-I234 HydrophobicContact CG1-CG2 4.06Å; I212-V235 PolarHBondContact N-O 2.75Å; I212-S236 WeakPolarHBondContact O-CA 3.44Å; I212-L237 PolarHBondContact O-N 3.04Å; I212-N633 HydrophobicContact CD1-CB 4.23Å; I212-N633 HydrophobicContact CG1-CB 4.12Å; I212-N633 HydrophobicContact CG2-CB 4.26Å
213	P	98.9	Very high	98.7	Very high	24 Å²	24	21.9 Å²	21.9	16%	0.156	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.3	174.9	-22	33.5	0	0	0	111	V352 F631	P213-V352 HydrophobicContact CG-CG2 4.12Å; P213-F631 HydrophobicContact CG-CD1 3.8Å; P213-F631 HydrophobicContact CG-CE1 3.79Å
214	Y	98.9	Very high	98.7	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121	-178.2	-170.4	-80.7	0	0	0	110.4	R66 F163 R164 G217 L224 S236 L237 D238 T239	R66-Y214 VanDerWaalsContact CZ-CE1 3.49Å; F163-Y214 PolarHBondContact O-OH 3.49Å; F163-Y214 VanDerWaalsContact O-OH 3.04Å; R164-Y214 VanDerWaalsContact CA-CE2 3.46Å; R164-Y214 HydrophobicContact CB-CD2 3.92Å; R164-Y214 HydrophobicContact CB-CE2 3.89Å; R164-Y214 HydrophobicContact CB-CG 4.32Å; R164-Y214 HydrophobicContact CG-CD1 4Å; R164-Y214 HydrophobicContact CG-CD2 4.1Å; R164-Y214 HydrophobicContact CG-CE1 3.85Å; R164-Y214 HydrophobicContact CG-CE2 3.97Å; R164-Y214 HydrophobicContact CG-CG 4.11Å; Y214-G217 VanDerWaalsContact OH-CA 3.27Å; Y214-G217 WeakPolarHBondContact OH-CA 3.48Å; Y214-L224 HydrophobicContact CD2-CD1 3.88Å; Y214-L224 HydrophobicContact CD2-CD2 3.97Å; Y214-L224 HydrophobicContact CD2-CG 4.41Å; Y214-L224 HydrophobicContact CE2-CD1 3.68Å; Y214-S236 WeakPolarHBondContact CB-OG 3.49Å; Y214-L237 PolarHBondContact N-O 3.29Å; Y214-D238 WeakPolarHBondContact O-CA 3.36Å; Y214-T239 PolarHBondContact O-N 3.43Å; Y214-T239 PolarHBondContact O-OG1 3.48Å
215	G	98.4	Very high	98.6	Very high	17 Å²	17	25.5 Å²	25.5	18%	0.175	14%	0.143	C	C	.	.	S	Bend	trans	-105.5	-106.4	176.3	0	0	0	0	0	111.1	R66 S288	R66-G215 PolarHBondContact NH1-O 3.16Å; R66-G215 PolarHBondContact NH2-O 3.49Å; G215-S288 WeakPolarHBondContact CA-OG 3.39Å
216	G	97.8	Very high	98.6	Very high	10 Å²	10	23.4 Å²	23.4	10%	0.103	13%	0.129	C	C	.	.	S	Bend	trans	-76	-17.8	-179.9	0	0	0	0	0	116.2	R66 T218 F286	R66-G216 PolarHBondContact NH1-O 3.14Å; G216-T218 VanDerWaalsContact C-N 3.27Å; G216-F286 WeakPolarHBondContact CA-O 3.45Å
217	G	98.3	Very high	98.5	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	10%	0.102	C	C	.	.	S	Bend	trans	75.5	11.8	-170.8	0	0	0	0	0	114.3	G167 H168 Y214 S219	G167-G217 WeakPolarHBondContact CA-O 3.29Å; H168-G217 PolarHBondContact CD2-O 2.92Å; Y214-G217 VanDerWaalsContact OH-CA 3.27Å; Y214-G217 WeakPolarHBondContact OH-CA 3.48Å; G217-S219 PolarHBondContact O-N 3.38Å
218	T	98.7	Very high	98.4	Very high	32 Å²	32	21.1 Å²	21.1	20%	0.196	13%	0.13	C	C	.	.			trans	-93.2	20.6	-169.6	63	0	0	0	0	114.8	W75 G216 F286 S287	W75-T218 HydrophobicContact CH2-CG2 3.97Å; W75-T218 HydrophobicContact CZ3-CG2 3.95Å; G216-T218 VanDerWaalsContact C-N 3.27Å; T218-F286 HydrophobicContact CG2-CB 3.69Å; T218-S287 WeakPolarHBondContact OG1-CB 3.39Å
219	S	98.8	Very high	98.2	Very high	18 Å²	18	21.5 Å²	21.5	13%	0.126	13%	0.129	C	C	.	.			trans	-65	140.6	-179.1	154	0	0	0	0	111.7	G167 H168 G217 S221 A223	G167-S219 CarbonylContact C-O 3.55Å; G167-S219 WeakPolarHBondContact CA-O 3.4Å; H168-S219 PolarHBondContact N-O 3.41Å; G217-S219 PolarHBondContact O-N 3.38Å; S219-S221 PolarHBondContact OG-N 2.94Å; S219-A223 WeakPolarHBondContact OG-CB 3.39Å; S219-A223 PolarHBondContact OG-N 3.23Å; S219-A223 VanDerWaalsContact OG-N 3.14Å
220	V	98.7	Very high	98.2	Very high	27 Å²	27	22 Å²	22	16%	0.164	13%	0.131	C	C	.	.	S	Bend	trans	-127.6	38.5	172.8	-67.5	0	0	0	0	111.2	H168 H596 R602	H168-V220 HydrophobicContact CB-CG1 4.22Å; V220-H596 HydrophobicContact CG2-CB 3.87Å; V220-H596 VanDerWaalsContact CG2-CG 3.46Å; V220-R602 PolarHBondContact O-NH1 3.39Å; V220-R602 PolarHBondContact O-NH2 3.43Å
221	S	98.6	Very high	98.1	Very high	1 Å²	1	28 Å²	28	1%	0.007	17%	0.168	C	C	.	.	S	Bend	trans	-138	13.4	179.5	61.4	0	0	0	0	112.6	C169 S219 A223 G599 K600 L601	C169-S221 PolarHBondContact SG-N 3.08Å; S219-S221 PolarHBondContact OG-N 2.94Å; S221-A223 PolarHBondContact O-N 2.98Å; S221-A223 WeakPolarHBondContact OG-CB 3.27Å; S221-G599 CarbonylContact O-C 3.36Å; S221-G599 WeakPolarHBondContact O-CA 3.39Å; S221-K600 PolarHBondContact O-N 2.87Å; S221-L601 WeakPolarHBondContact O-CB 3.37Å; S221-L601 PolarHBondContact O-N 2.94Å; S221-L601 VanDerWaalsContact O-N 3.1Å
222	S	98.4	Very high	98.1	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.021	17%	0.174	C	C	.	.	S	Bend	trans	56.1	28.2	-170.6	-50.9	0	0	0	0	112.6	C169 H171 L224 E225 K600	C169-S222 PolarHBondContact SG-N 2.83Å; C169-S222 PolarHBondContact SG-OG 3Å; H171-S222 PolarHBondContact CE1-OG 3.42Å; H171-S222 PolarHBondContact NE2-OG 3.1Å; S222-L224 PolarHBondContact O-N 2.95Å; S222-E225 PolarHBondContact O-N 3.21Å; S222-K600 WeakPolarHBondContact O-CE 3.43Å; S222-K600 PolarHBondContact O-NZ 3.26Å
223	A	98.4	Very high	98	Very high	9 Å²	9	30 Å²	30	7%	0.074	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.1	-175.2	0	0	0	0	0	114.1	S219 S221 N635	S219-A223 WeakPolarHBondContact OG-CB 3.39Å; S219-A223 PolarHBondContact OG-N 3.23Å; S219-A223 VanDerWaalsContact OG-N 3.14Å; S221-A223 PolarHBondContact O-N 2.98Å; S221-A223 WeakPolarHBondContact OG-CB 3.27Å; A223-N635 WeakPolarHBondContact CA-ND2 3.21Å; A223-N635 WeakPolarHBondContact CA-OD1 3.46Å; A223-N635 WeakPolarHBondContact CB-ND2 3.3Å; A223-N635 PolarHBondContact O-ND2 3.35Å; A223-N635 PolarHBondContact O-OD1 3.41Å
224	L	98.7	Very high	98	Very high	19 Å²	19	28.9 Å²	28.9	10%	0.099	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.2	-174.7	-61.6	172.4	0	0	0	113.5	I212 Y214 S222 C226	I212-L224 HydrophobicContact CG2-CD2 4.37Å; Y214-L224 HydrophobicContact CD2-CD1 3.88Å; Y214-L224 HydrophobicContact CD2-CD2 3.97Å; Y214-L224 HydrophobicContact CD2-CG 4.41Å; Y214-L224 HydrophobicContact CE2-CD1 3.68Å; S222-L224 PolarHBondContact O-N 2.95Å; L224-C226 PolarHBondContact O-N 3.14Å
225	E	97.9	Very high	98	Very high	76 Å²	76	28.8 Å²	28.8	36%	0.355	17%	0.169	S	C	.	.	S	Bend	trans	-60.1	132.2	178.3	-175.1	-179.3	-171.1	0	0	110.3	S222 K600	S222-E225 PolarHBondContact O-N 3.21Å; E225-K600 VanDerWaalsContact O-CE 3.29Å; E225-K600 WeakPolarHBondContact O-CE 3.22Å; E225-K600 PolarHBondContact O-NZ 2.84Å
226	C	98.5	Very high	98.1	Very high	2 Å²	2	28 Å²	28	1%	0.014	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-75.5	127.6	179.6	-66.5	0	0	0	0	110.1	R183 P185 L224 I234	R183-C226 HydrophobicContact CB-CB 4.06Å; R183-C226 HydrophobicContact CG-CB 3.58Å; P185-C226 VanDerWaalsContact CD-SG 3.53Å; L224-C226 PolarHBondContact O-N 3.14Å; C226-I234 HydrophobicContact CB-CD1 3.92Å
227	P	97.6	Very high	98.1	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.019	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-59.7	126.7	177	-21.8	32	0	0	0	111.3	E229 E230 G632 R634	P227-E229 WeakPolarHBondContact CB-OE1 3.5Å; P227-E229 PolarHBondContact O-N 3.41Å; P227-E230 HydrophobicContact CB-CB 4.23Å; P227-E230 WeakPolarHBondContact O-CB 3.48Å; P227-E230 PolarHBondContact O-N 2.92Å; P227-E230 VanDerWaalsContact O-N 3.09Å; P227-G632 WeakPolarHBondContact CG-O 3.46Å; P227-R634 HydrophobicContact CB-CG 4.46Å; P227-R634 HydrophobicContact CG-CB 4.27Å; P227-R634 HydrophobicContact CG-CG 3.87Å
228	P	95.1	Very high	98.2	Very high	107 Å²	107	27.4 Å²	27.4	70%	0.695	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.7	-176.1	23	-32.8	0	0	0	113.3	E230	P228-E230 VanDerWaalsContact C-N 3.35Å
229	E	95.4	Very high	98.2	Very high	95 Å²	95	26.2 Å²	26.2	44%	0.444	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.8	177.9	70.6	-78.6	-175.5	0	0	114.4	P227 T231 R634	P227-E229 WeakPolarHBondContact CB-OE1 3.5Å; P227-E229 PolarHBondContact O-N 3.41Å; E229-T231 PolarHBondContact O-N 2.96Å; E229-R634 VanDerWaalsContact CD-NH1 3.32Å; E229-R634 VanDerWaalsContact OE1-CD 3.24Å; E229-R634 WeakPolarHBondContact OE1-CD 3.38Å; E229-R634 IonicContact OE1-CZ 2.83Å; E229-R634 IonicContact OE1-NE 3.78Å; E229-R634 PolarHBondContact OE1-NE 3.5Å; E229-R634 IonicContact OE1-NH1 3.32Å; E229-R634 PolarHBondContact OE1-NH1 2.89Å; E229-R634 IonicContact OE1-NH2 3.06Å
230	E	97.8	Very high	98.1	Very high	11 Å²	11	25.6 Å²	25.6	5%	0.051	14%	0.143	C	C	.	.			trans	-77.8	109.2	177.2	179.8	59.3	-100.9	0	0	110.9	C210 P227 P228 R232 I234	C210-E230 HydrophobicContact CB-CG 4.17Å; P227-E230 HydrophobicContact CB-CB 4.23Å; P227-E230 WeakPolarHBondContact O-CB 3.48Å; P227-E230 PolarHBondContact O-N 2.92Å; P227-E230 VanDerWaalsContact O-N 3.09Å; P228-E230 VanDerWaalsContact C-N 3.35Å; E230-R232 WeakPolarHBondContact OE1-CB 3.45Å; E230-R232 VanDerWaalsContact OE1-CG 3.27Å; E230-R232 WeakPolarHBondContact OE1-CG 3.48Å; E230-R232 IonicContact OE1-CZ 2.67Å; E230-R232 PolarHBondContact OE1-N 3.45Å; E230-R232 IonicContact OE1-NE 2.79Å; E230-R232 PolarHBondContact OE1-NE 3.22Å; E230-R232 IonicContact OE1-NH2 2.65Å; E230-R232 IonicContact OE2-CZ 2.73Å; E230-R232 IonicContact OE2-NE 2.87Å; E230-R232 PolarHBondContact OE2-NE 3.42Å; E230-R232 IonicContact OE2-NH2 3.78Å; E230-R232 PolarHBondContact OE2-NH2 3.32Å; E230-I234 HydrophobicContact CB-CD1 3.97Å; E230-I234 HydrophobicContact CG-CD1 3.7Å; E230-I234 HydrophobicContact CG-CG1 3.71Å
231	T	96.9	Very high	98.1	Very high	125 Å²	125	24.5 Å²	24.5	77%	0.767	14%	0.136	S	C	*	.			trans	-91.8	-15.5	-177.6	61.4	0	0	0	0	113.5	E229	E229-T231 PolarHBondContact O-N 2.96Å
232	R	98.5	Very high	98.1	Very high	36 Å²	36	24.5 Å²	24.5	14%	0.136	14%	0.136	C	C	.	.	S	Bend	trans	-68.5	160.9	175	-62.6	172.9	-69.3	174.5	4.4	109.9	R183 N208 C210 E230 I234 N628 N629	R183-R232 PolarHBondContact NH2-O 2.93Å; N208-R232 WeakPolarHBondContact O-CD 3.25Å; N208-R232 WeakPolarHBondContact OD1-CD 3.1Å; N208-R232 PolarHBondContact OD1-NH1 3.42Å; C210-R232 HydrophobicContact CB-CB 4.32Å; E230-R232 WeakPolarHBondContact OE1-CB 3.45Å; E230-R232 VanDerWaalsContact OE1-CG 3.27Å; E230-R232 WeakPolarHBondContact OE1-CG 3.48Å; E230-R232 IonicContact OE1-CZ 2.67Å; E230-R232 PolarHBondContact OE1-N 3.45Å; E230-R232 IonicContact OE1-NE 2.79Å; E230-R232 PolarHBondContact OE1-NE 3.22Å; E230-R232 IonicContact OE1-NH2 2.65Å; E230-R232 IonicContact OE2-CZ 2.73Å; E230-R232 IonicContact OE2-NE 2.87Å; E230-R232 PolarHBondContact OE2-NE 3.42Å; E230-R232 IonicContact OE2-NH2 3.78Å; E230-R232 PolarHBondContact OE2-NH2 3.32Å; R232-I234 PolarHBondContact O-N 3.27Å; R232-N628 PolarHBondContact NH1-O 2.91Å; R232-N629 PolarHBondContact NH1-O 2.77Å; R232-N629 VanDerWaalsContact NH1-O 3.14Å; R232-N629 PolarHBondContact NH2-O 3.1Å
233	S	98.6	Very high	98	Very high	10 Å²	10	25.6 Å²	25.6	7%	0.07	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-60.6	126.2	166.7	-160.4	0	0	0	0	108.7	T138 D186 V209 C210	T138-S233 VanDerWaalsContact O-CB 3.26Å; T138-S233 WeakPolarHBondContact O-CB 3.25Å; T138-S233 PolarHBondContact O-OG 2.9Å; D186-S233 WeakPolarHBondContact OD2-CA 3.29Å; V209-S233 WeakPolarHBondContact CG1-O 3.26Å; C210-S233 PolarHBondContact N-O 3.38Å
234	I	98.9	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	178.4	-57.8	176.3	0	0	0	108.7	R183 P185 D186 M187 C210 I212 C226 E230 R232	R183-I234 HydrophobicContact CG-CD1 4.42Å; P185-I234 CarbonylContact C-O 3.52Å; P185-I234 HydrophobicContact CB-CG2 4.29Å; D186-I234 PolarHBondContact N-O 3.44Å; D186-I234 PolarHBondContact OD2-N 3.14Å; M187-I234 PolarHBondContact N-O 3.08Å; C210-I234 HydrophobicContact CB-CG1 4.21Å; C210-I234 CarbonylContact O-C 3.34Å; C210-I234 WeakPolarHBondContact O-CA 3.35Å; I212-I234 HydrophobicContact CD1-CG2 3.84Å; I212-I234 HydrophobicContact CG1-CG2 4.06Å; C226-I234 HydrophobicContact CB-CD1 3.92Å; E230-I234 HydrophobicContact CB-CD1 3.97Å; E230-I234 HydrophobicContact CG-CD1 3.7Å; E230-I234 HydrophobicContact CG-CG1 3.71Å; R232-I234 PolarHBondContact O-N 3.27Å
235	V	98.9	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.9	175.4	175.8	0	0	0	0	109.5	F143 M187 V189 V209 C210 L211 I212 L237	F143-V235 HydrophobicContact CE1-CG2 4.03Å; F143-V235 HydrophobicContact CZ-CG2 4.39Å; M187-V235 HydrophobicContact CB-CG2 4.34Å; M187-V235 HydrophobicContact CE-CG2 3.67Å; M187-V235 WeakPolarHBondContact O-CA 3.49Å; V189-V235 HydrophobicContact CB-CG1 4.25Å; V189-V235 HydrophobicContact CG1-CG1 3.64Å; V189-V235 HydrophobicContact CG2-CG1 3.64Å; V209-V235 HydrophobicContact CG1-CB 4.21Å; V209-V235 HydrophobicContact CG1-CG2 3.48Å; V209-V235 VanDerWaalsContact CG1-CG2 3.48Å; C210-V235 PolarHBondContact O-N 2.8Å; L211-V235 WeakPolarHBondContact CA-O 3.48Å; L211-V235 HydrophobicContact CD2-CB 3.75Å; L211-V235 HydrophobicContact CD2-CG1 4.16Å; I212-V235 PolarHBondContact N-O 2.75Å; V235-L237 PolarHBondContact O-N 3.11Å
236	S	98.9	Very high	98.1	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	114.9	165.1	-175.7	0	0	0	0	108.9	R164 M187 V188 V189 I212 Y214 D238	R164-S236 WeakPolarHBondContact CB-OG 3.45Å; R164-S236 WeakPolarHBondContact CD-OG 3.22Å; M187-S236 PolarHBondContact O-N 3.49Å; V188-S236 WeakPolarHBondContact CA-O 3.4Å; V189-S236 PolarHBondContact N-O 2.88Å; I212-S236 WeakPolarHBondContact O-CA 3.44Å; Y214-S236 WeakPolarHBondContact CB-OG 3.49Å; S236-D238 PolarHBondContact O-N 3.5Å
237	L	98.9	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	93.8	177.7	-169.8	161.5	0	0	0	108.3	V189 P191 V197 I200 L211 I212 Y214 V235 T239 V352	V189-L237 HydrophobicContact CG2-CB 4.16Å; V189-L237 HydrophobicContact CG2-CG 4.08Å; P191-L237 HydrophobicContact CG-CD2 3.82Å; P191-L237 HydrophobicContact CG-CG 4.42Å; V197-L237 HydrophobicContact CG1-CD1 4.46Å; I200-L237 HydrophobicContact CB-CD1 4.41Å; I200-L237 HydrophobicContact CD1-CD1 4.42Å; I200-L237 HydrophobicContact CG2-CD1 3.81Å; L211-L237 HydrophobicContact CD1-CD1 4.28Å; I212-L237 PolarHBondContact O-N 3.04Å; Y214-L237 PolarHBondContact N-O 3.29Å; V235-L237 PolarHBondContact O-N 3.11Å; L237-T239 HydrophobicContact CD2-CG2 4.01Å; L237-V352 HydrophobicContact CD1-CG2 3.78Å; L237-V352 HydrophobicContact CD2-CG1 4.1Å; L237-V352 HydrophobicContact CD2-CG2 4.08Å
238	D	98.9	Very high	98.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.2	-174.5	-176.9	-25.4	0	0	0	111.2	R66 R164 V188 V189 W190 P191 Y214 S236 S240	R66-D238 IonicContact CZ-OD2 2.75Å; R66-D238 IonicContact NE-OD2 2.87Å; R66-D238 IonicContact NH2-OD1 3.86Å; R66-D238 PolarHBondContact NH2-OD1 2.86Å; R66-D238 IonicContact NH2-OD2 3.29Å; R66-D238 PolarHBondContact NH2-OD2 2.91Å; R164-D238 IonicContact CZ-OD2 2.94Å; R164-D238 IonicContact NE-OD2 2.67Å; R164-D238 PolarHBondContact NE-OD2 3.37Å; R164-D238 IonicContact NH2-OD2 3.62Å; R164-D238 PolarHBondContact NH2-OD2 3.12Å; V188-D238 HydrophobicContact CG1-CB 4.14Å; V189-D238 PolarHBondContact O-N 3.44Å; W190-D238 PolarHBondContact NE1-OD2 3.15Å; P191-D238 WeakPolarHBondContact CD-O 3.39Å; Y214-D238 WeakPolarHBondContact O-CA 3.36Å; S236-D238 PolarHBondContact O-N 3.5Å; D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.03Å; D238-S240 WeakPolarHBondContact OD1-CA 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 3.47Å; D238-S240 PolarHBondContact OD1-N 3.36Å; D238-S240 PolarHBondContact OD1-OG 2.97Å; D238-S240 PolarHBondContact OD2-OG 3.4Å
239	T	98.8	Very high	98.3	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.049	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-79.6	-5.9	-176.1	61.6	0	0	0	0	114	Y214 L237 Q241 M242 G260 V352	Y214-T239 PolarHBondContact O-N 3.43Å; Y214-T239 PolarHBondContact O-OG1 3.48Å; L237-T239 HydrophobicContact CD2-CG2 4.01Å; T239-Q241 PolarHBondContact O-N 2.95Å; T239-M242 HydrophobicContact CG2-CE 4.37Å; T239-M242 PolarHBondContact O-N 3.37Å; T239-G260 VanDerWaalsContact O-CA 3.31Å; T239-G260 WeakPolarHBondContact O-CA 3.33Å; T239-V352 HydrophobicContact CG2-CG1 4.17Å
240	S	98.3	Very high	98.5	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-55.5	-21.2	-170.4	57.1	0	0	0	0	115.5	D238 N243	D238-S240 VanDerWaalsContact C-N 3.3Å; D238-S240 PolarHBondContact O-N 3.03Å; D238-S240 WeakPolarHBondContact OD1-CA 3.3Å; D238-S240 WeakPolarHBondContact OD1-CB 3.47Å; D238-S240 PolarHBondContact OD1-N 3.36Å; D238-S240 PolarHBondContact OD1-OG 2.97Å; D238-S240 PolarHBondContact OD2-OG 3.4Å; S240-N243 PolarHBondContact O-ND2 3.36Å
241	Q	97.9	Very high	98.5	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.023	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-92.9	-5.3	179.8	-53.1	-52.4	-65.8	0	0	113.7	V62 R64 W190 T239	V62-Q241 PolarHBondContact O-NE2 2.95Å; V62-Q241 VanDerWaalsContact O-NE2 3.13Å; R64-Q241 HydrophobicContact CG-CG 4.12Å; W190-Q241 HydrophobicContact CB-CB 4.46Å; W190-Q241 HydrophobicContact CB-CG 3.89Å; W190-Q241 HydrophobicContact CG-CG 4.13Å; T239-Q241 PolarHBondContact O-N 2.95Å
242	M	97.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.201	C	C	.	.			trans	-104.2	79.9	171.8	-172.9	177.9	65.8	0	0	107.1	V197 T239 E258 S259 G260 T354	V197-M242 HydrophobicContact CG2-CE 4.39Å; V197-M242 HydrophobicContact CG2-SD 4.22Å; T239-M242 HydrophobicContact CG2-CE 4.37Å; T239-M242 PolarHBondContact O-N 3.37Å; M242-E258 VanDerWaalsContact C-CB 3.48Å; M242-E258 VanDerWaalsContact C-OE2 3.22Å; M242-E258 WeakPolarHBondContact CA-OE2 3.18Å; M242-E258 HydrophobicContact CG-CB 3.76Å; M242-E258 HydrophobicContact CG-CG 3.69Å; M242-E258 WeakPolarHBondContact O-CB 3.09Å; M242-S259 WeakPolarHBondContact CE-OG 3.18Å; M242-G260 CarbonylContact O-C 3.15Å; M242-G260 WeakPolarHBondContact O-CA 3.27Å; M242-G260 PolarHBondContact O-N 2.94Å; M242-T354 HydrophobicContact CE-CG2 4.24Å; M242-T354 WeakPolarHBondContact CE-O 3.36Å
243	N	98	Very high	98.6	Very high	27 Å²	27	44 Å²	44	14%	0.144	21%	0.208	C	C	.	.			trans	-136.5	21.4	-162.5	62.1	19.5	0	0	0	114.9	S240 E258 I261	S240-N243 PolarHBondContact O-ND2 3.36Å; N243-E258 PolarHBondContact N-OE2 2.79Å; N243-I261 HydrophobicContact CB-CB 4.24Å; N243-I261 WeakPolarHBondContact O-CD1 3.5Å
244	R	98.4	Very high	98.6	Very high	110 Å²	110	44 Å²	44	42%	0.415	21%	0.207	S	C	.	.			trans	-88.7	144	180	-65.9	175.5	-74.5	-111.7	-5.1	113	N192 L246 V257 E258	N192-R244 PolarHBondContact O-NH2 2.71Å; R244-L246 HydrophobicContact CB-CD2 4.27Å; R244-L246 PolarHBondContact O-N 3.37Å; R244-V257 WeakPolarHBondContact O-CG1 3.34Å; R244-E258 WeakPolarHBondContact CB-OE2 3.45Å; R244-E258 IonicContact CZ-OE1 3.44Å; R244-E258 IonicContact CZ-OE2 3.66Å; R244-E258 PolarHBondContact N-OE2 2.93Å; R244-E258 IonicContact NE-OE1 2.66Å; R244-E258 PolarHBondContact NE-OE1 3.29Å; R244-E258 IonicContact NE-OE2 3.52Å; R244-E258 PolarHBondContact NE-OE2 3.24Å; R244-E258 IonicContact NH2-OE1 3.46Å; R244-E258 PolarHBondContact NH2-OE1 2.71Å; R244-E258 IonicContact NH2-OE2 2.67Å; R244-E258 WeakPolarHBondContact O-CB 3.38Å; R244-E258 PolarHBondContact O-N 2.86Å
245	I	98.7	Very high	98.6	Very high	40 Å²	40	44 Å²	44	21%	0.205	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.8	154.8	-59.6	178.8	0	0	0	106.7	I248 V257 I261 L266 L269 L270	I245-I248 HydrophobicContact CG2-CD1 4.33Å; I245-I248 HydrophobicContact CG2-CG1 3.78Å; I245-V257 HydrophobicContact CG1-CG1 4.09Å; I245-V257 HydrophobicContact CG1-CG2 4.25Å; I245-V257 HydrophobicContact CG2-CG2 4.46Å; I245-I261 HydrophobicContact CG1-CD1 4.18Å; I245-L266 HydrophobicContact CD1-CD1 4.16Å; I245-L266 HydrophobicContact CG1-CD1 4.3Å; I245-L269 HydrophobicContact CD1-CB 3.64Å; I245-L269 HydrophobicContact CD1-CD1 4.49Å; I245-L270 HydrophobicContact CD1-CD2 3.85Å; I245-L270 HydrophobicContact CD1-CG 3.87Å
246	L	98.8	Very high	98.6	Very high	67 Å²	67	44.7 Å²	44.7	35%	0.351	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-39.7	-175.9	-61.6	177.6	0	0	0	111.4	R244 H256 E258 E355	R244-L246 HydrophobicContact CB-CD2 4.27Å; R244-L246 PolarHBondContact O-N 3.37Å; L246-H256 WeakPolarHBondContact CA-O 3.34Å; L246-H256 WeakPolarHBondContact CB-O 3.41Å; L246-H256 VanDerWaalsContact CD1-CD2 3.49Å; L246-H256 WeakPolarHBondContact CD1-CD2 3.45Å; L246-H256 PolarHBondContact N-O 3.41Å; L246-E258 HydrophobicContact CD1-CG 4.16Å; L246-E258 HydrophobicContact CD2-CG 3.94Å; L246-E258 HydrophobicContact CG-CG 4.12Å; L246-E355 HydrophobicContact CD1-CG 3.98Å
247	W	98.8	Very high	98.6	Very high	89 Å²	89	44.6 Å²	44.6	34%	0.337	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	158.2	171	50.9	-99.4	0	0	0	111.7	D249 A255 H256 T357	W247-D249 HydrophobicContact CE3-CB 3.91Å; W247-D249 HydrophobicContact CZ3-CB 3.57Å; W247-A255 WeakPolarHBondContact O-CA 3.3Å; W247-H256 HydrophobicContact CD2-CB 3.5Å; W247-H256 VanDerWaalsContact CD2-CB 3.5Å; W247-H256 AromaticContact CE2-CG 3.69Å; W247-H256 HydrophobicContact CE3-CB 3.97Å; W247-H256 HydrophobicContact CG-CB 4.06Å; W247-H256 HydrophobicContact CH2-CB 3.74Å; W247-H256 HydrophobicContact CZ2-CB 3.24Å; W247-H256 AromaticContact CZ2-CG 3.75Å; W247-H256 HydrophobicContact CZ3-CB 4.06Å; W247-H256 PolarHBondContact N-O 3.01Å; W247-H256 AromaticContact NE1-CD2 3.43Å; W247-H256 PolarHBondContact NE1-CD2 3.12Å; W247-H256 AromaticContact NE1-CG 3.59Å; W247-H256 PolarHBondContact O-N 3.01Å; W247-T357 HydrophobicContact CH2-CG2 3.91Å
248	I	98.9	Very high	98.6	Very high	51 Å²	51	44.8 Å²	44.8	26%	0.262	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.7	171.1	-61.8	176.1	0	0	0	107.6	I245 E250 A255 L270 Y275 I360	I245-I248 HydrophobicContact CG2-CD1 4.33Å; I245-I248 HydrophobicContact CG2-CG1 3.78Å; I248-E250 HydrophobicContact CG2-CG 4.13Å; I248-A255 HydrophobicContact CG1-CB 4.34Å; I248-L270 HydrophobicContact CD1-CD2 3.86Å; I248-L270 HydrophobicContact CG1-CD2 4.24Å; I248-Y275 HydrophobicContact CG2-CD2 4.33Å; I248-Y275 HydrophobicContact CG2-CE2 4.37Å; I248-I360 HydrophobicContact CG2-CD1 3.63Å
249	D	98.8	Very high	98.6	Very high	43 Å²	43	44.9 Å²	44.9	23%	0.23	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	97.6	172.6	-174.1	-23.8	0	0	0	108.9	W247 K251 N252 L253 T254	W247-D249 HydrophobicContact CE3-CB 3.91Å; W247-D249 HydrophobicContact CZ3-CB 3.57Å; D249-K251 PolarHBondContact O-N 3.24Å; D249-K251 WeakPolarHBondContact OD1-CA 3.39Å; D249-K251 WeakPolarHBondContact OD1-CB 3.44Å; D249-K251 PolarHBondContact OD1-N 3.34Å; D249-N252 HydrophobicContact CB-CB 4.44Å; D249-N252 PolarHBondContact OD1-N 3.39Å; D249-N252 PolarHBondContact OD2-ND2 3.48Å; D249-L253 VanDerWaalsContact O-CA 3.29Å; D249-L253 WeakPolarHBondContact O-CA 3.46Å; D249-L253 PolarHBondContact O-N 3.13Å; D249-T254 PolarHBondContact N-O 3.22Å; D249-T254 PolarHBondContact O-N 2.68Å; D249-T254 VanDerWaalsContact O-N 3.12Å
250	E	98.5	Very high	98.6	Very high	121 Å²	121	44.6 Å²	44.6	57%	0.565	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.3	-179.6	-60.4	-168.4	-125.4	0	0	113	I248 L253 Y275	I248-E250 HydrophobicContact CG2-CG 4.13Å; E250-L253 WeakPolarHBondContact O-CD2 3.26Å; E250-Y275 WeakPolarHBondContact CB-OH 3.45Å; E250-Y275 HydrophobicContact CG-CE2 3.81Å; E250-Y275 WeakPolarHBondContact CG-OH 3.44Å; E250-Y275 PolarHBondContact OE2-OH 2.82Å
251	K	98.3	Very high	98.6	Very high	179 Å²	179	44.5 Å²	44.5	78%	0.778	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-42.2	-179.7	-64.9	-179.5	-178.1	173.7	0	110.9	D249	D249-K251 PolarHBondContact O-N 3.24Å; D249-K251 WeakPolarHBondContact OD1-CA 3.39Å; D249-K251 WeakPolarHBondContact OD1-CB 3.44Å; D249-K251 PolarHBondContact OD1-N 3.34Å
252	N	98.7	Very high	98.6	Very high	115 Å²	115	44.5 Å²	44.5	62%	0.615	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.8	179.3	-65.1	-45.1	0	0	0	113	D249	D249-N252 HydrophobicContact CB-CB 4.44Å; D249-N252 PolarHBondContact OD1-N 3.39Å; D249-N252 PolarHBondContact OD2-ND2 3.48Å
253	L	98.9	Very high	98.7	Very high	54 Å²	54	44.5 Å²	44.5	28%	0.283	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	53.1	-178	-63.3	171.7	0	0	0	111.6	D249 E250 Y275 I360	D249-L253 VanDerWaalsContact O-CA 3.29Å; D249-L253 WeakPolarHBondContact O-CA 3.46Å; D249-L253 PolarHBondContact O-N 3.13Å; E250-L253 WeakPolarHBondContact O-CD2 3.26Å; L253-Y275 HydrophobicContact CD2-CD1 4.39Å; L253-Y275 HydrophobicContact CD2-CE1 3.71Å; L253-I360 HydrophobicContact CB-CG1 4.43Å; L253-I360 WeakPolarHBondContact O-CG1 3.38Å; L253-I360 PolarHBondContact O-N 3.1Å
254	T	98.9	Very high	98.6	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.6	176.6	51.2	0	0	0	0	111.1	D249 V313 T357 I358	D249-T254 PolarHBondContact N-O 3.22Å; D249-T254 PolarHBondContact O-N 2.68Å; D249-T254 VanDerWaalsContact O-N 3.12Å; T254-V313 HydrophobicContact CG2-CG2 4.02Å; T254-T357 HydrophobicContact CG2-CG2 4.08Å; T254-I358 CarbonylContact C-O 3.57Å; T254-I358 VanDerWaalsContact CA-O 3.26Å; T254-I358 WeakPolarHBondContact CA-O 3.39Å
255	A	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.5	168.1	0	0	0	0	0	109.5	W247 I248 V257 L270 T357 I358 I360	W247-A255 WeakPolarHBondContact O-CA 3.3Å; I248-A255 HydrophobicContact CG1-CB 4.34Å; A255-V257 HydrophobicContact CB-CG2 3.99Å; A255-L270 HydrophobicContact CB-CD2 3.95Å; A255-T357 CarbonylContact O-C 3.6Å; A255-T357 VanDerWaalsContact O-CA 3.31Å; A255-T357 WeakPolarHBondContact O-CA 3.31Å; A255-I358 PolarHBondContact N-O 3.43Å; A255-I358 PolarHBondContact O-N 2.87Å; A255-I360 HydrophobicContact CB-CG2 3.72Å
256	H	98.9	Very high	98.6	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	173.6	-172.9	72.3	0	0	0	109.9	L246 W247 E355 V356 T357	L246-H256 WeakPolarHBondContact CA-O 3.34Å; L246-H256 WeakPolarHBondContact CB-O 3.41Å; L246-H256 VanDerWaalsContact CD1-CD2 3.49Å; L246-H256 WeakPolarHBondContact CD1-CD2 3.45Å; L246-H256 PolarHBondContact N-O 3.41Å; W247-H256 HydrophobicContact CD2-CB 3.5Å; W247-H256 VanDerWaalsContact CD2-CB 3.5Å; W247-H256 AromaticContact CE2-CG 3.69Å; W247-H256 HydrophobicContact CE3-CB 3.97Å; W247-H256 HydrophobicContact CG-CB 4.06Å; W247-H256 HydrophobicContact CH2-CB 3.74Å; W247-H256 HydrophobicContact CZ2-CB 3.24Å; W247-H256 AromaticContact CZ2-CG 3.75Å; W247-H256 HydrophobicContact CZ3-CB 4.06Å; W247-H256 PolarHBondContact N-O 3.01Å; W247-H256 AromaticContact NE1-CD2 3.43Å; W247-H256 PolarHBondContact NE1-CD2 3.12Å; W247-H256 AromaticContact NE1-CG 3.59Å; W247-H256 PolarHBondContact O-N 3.01Å; H256-E355 IonicContact CE1-OE2 2.89Å; H256-E355 IonicContact NE2-OE2 3.58Å; H256-E355 PolarHBondContact NE2-OE2 3.3Å; H256-E355 VanDerWaalsContact NE2-OE2 3.16Å; H256-V356 WeakPolarHBondContact CA-O 3.17Å; H256-T357 PolarHBondContact ND1-OG1 2.87Å
257	V	98.9	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.3	-159	-165.3	0	0	0	0	110.2	R244 I245 A255 I261 L266 L289 E355 V356 I358	R244-V257 WeakPolarHBondContact O-CG1 3.34Å; I245-V257 HydrophobicContact CG1-CG1 4.09Å; I245-V257 HydrophobicContact CG1-CG2 4.25Å; I245-V257 HydrophobicContact CG2-CG2 4.46Å; A255-V257 HydrophobicContact CB-CG2 3.99Å; V257-I261 HydrophobicContact CG1-CB 4.21Å; V257-I261 HydrophobicContact CG1-CD1 4.13Å; V257-I261 HydrophobicContact CG1-CG2 3.54Å; V257-L266 HydrophobicContact CG1-CD1 4.21Å; V257-L266 HydrophobicContact CG2-CD1 4.11Å; V257-L289 HydrophobicContact CB-CD2 3.86Å; V257-L289 HydrophobicContact CG1-CD2 4.21Å; V257-E355 CarbonylContact O-C 3.51Å; V257-E355 WeakPolarHBondContact O-CA 3.22Å; V257-V356 PolarHBondContact N-O 3.34Å; V257-V356 PolarHBondContact O-N 3.25Å; V257-I358 HydrophobicContact CG2-CG2 4.49Å
258	E	98.9	Very high	98.5	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.1	168.9	-78.3	-179.3	161.3	0	0	110.8	M242 N243 R244 L246 G260 I261	M242-E258 VanDerWaalsContact C-CB 3.48Å; M242-E258 VanDerWaalsContact C-OE2 3.22Å; M242-E258 WeakPolarHBondContact CA-OE2 3.18Å; M242-E258 HydrophobicContact CG-CB 3.76Å; M242-E258 HydrophobicContact CG-CG 3.69Å; M242-E258 WeakPolarHBondContact O-CB 3.09Å; N243-E258 PolarHBondContact N-OE2 2.79Å; R244-E258 WeakPolarHBondContact CB-OE2 3.45Å; R244-E258 IonicContact CZ-OE1 3.44Å; R244-E258 IonicContact CZ-OE2 3.66Å; R244-E258 PolarHBondContact N-OE2 2.93Å; R244-E258 IonicContact NE-OE1 2.66Å; R244-E258 PolarHBondContact NE-OE1 3.29Å; R244-E258 IonicContact NE-OE2 3.52Å; R244-E258 PolarHBondContact NE-OE2 3.24Å; R244-E258 IonicContact NH2-OE1 3.46Å; R244-E258 PolarHBondContact NH2-OE1 2.71Å; R244-E258 IonicContact NH2-OE2 2.67Å; R244-E258 WeakPolarHBondContact O-CB 3.38Å; R244-E258 PolarHBondContact O-N 2.86Å; L246-E258 HydrophobicContact CD1-CG 4.16Å; L246-E258 HydrophobicContact CD2-CG 3.94Å; L246-E258 HydrophobicContact CG-CG 4.12Å; E258-G260 PolarHBondContact O-N 3.29Å; E258-G260 VanDerWaalsContact O-N 3.13Å; E258-I261 WeakPolarHBondContact O-CG2 3.32Å; E258-I261 PolarHBondContact O-N 2.92Å
259	S	98.3	Very high	98.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.2	-164.8	68.9	0	0	0	0	115.3	M242 I261 L289 G290 V353 T354	M242-S259 WeakPolarHBondContact CE-OG 3.18Å; S259-I261 VanDerWaalsContact C-N 3.34Å; S259-L289 PolarHBondContact O-N 3.49Å; S259-G290 PolarHBondContact O-N 3.04Å; S259-V353 WeakPolarHBondContact CB-O 3.5Å; S259-V353 PolarHBondContact OG-O 2.65Å; S259-T354 WeakPolarHBondContact CB-O 3.36Å; S259-T354 PolarHBondContact N-O 3.49Å; S259-T354 PolarHBondContact OG-O 3.17Å
260	G	98.7	Very high	98.5	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.8	-178.8	0	0	0	0	0	114.9	T239 M242 E258 V262	T239-G260 VanDerWaalsContact O-CA 3.31Å; T239-G260 WeakPolarHBondContact O-CA 3.33Å; M242-G260 CarbonylContact O-C 3.15Å; M242-G260 WeakPolarHBondContact O-CA 3.27Å; M242-G260 PolarHBondContact O-N 2.94Å; E258-G260 PolarHBondContact O-N 3.29Å; E258-G260 VanDerWaalsContact O-N 3.13Å; G260-V262 PolarHBondContact O-N 3.03Å
261	I	98.8	Very high	98.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.156	C	C	.	.			trans	-60.4	134.4	175.6	-161.5	169.2	0	0	0	110.4	N243 I245 V257 E258 S259 D265 L266 L269 S288 L289	N243-I261 HydrophobicContact CB-CB 4.24Å; N243-I261 WeakPolarHBondContact O-CD1 3.5Å; I245-I261 HydrophobicContact CG1-CD1 4.18Å; V257-I261 HydrophobicContact CG1-CB 4.21Å; V257-I261 HydrophobicContact CG1-CD1 4.13Å; V257-I261 HydrophobicContact CG1-CG2 3.54Å; E258-I261 WeakPolarHBondContact O-CG2 3.32Å; E258-I261 PolarHBondContact O-N 2.92Å; S259-I261 VanDerWaalsContact C-N 3.34Å; I261-D265 HydrophobicContact CD1-CB 4.33Å; I261-D265 HydrophobicContact CG1-CB 3.91Å; I261-L266 HydrophobicContact CD1-CB 3.91Å; I261-L266 HydrophobicContact CD1-CD1 4.18Å; I261-L266 HydrophobicContact CG1-CB 4.16Å; I261-L266 HydrophobicContact CG2-CB 4.22Å; I261-L266 HydrophobicContact CG2-CD2 4.47Å; I261-L269 HydrophobicContact CD1-CD1 4.13Å; I261-S288 CarbonylContact O-C 3.5Å; I261-S288 WeakPolarHBondContact O-CA 3.48Å; I261-S288 WeakPolarHBondContact O-CB 3.42Å; I261-L289 HydrophobicContact CG2-CB 3.99Å; I261-L289 HydrophobicContact CG2-CD2 4.34Å; I261-L289 PolarHBondContact O-N 3.27Å
262	V	98.6	Very high	98.4	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.036	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-83.8	152	173	-60	0	0	0	0	110.6	V62 G260 Q264 D265 L266 F286 S287	V62-V262 HydrophobicContact CG2-CG1 3.64Å; V62-V262 HydrophobicContact CG2-CG2 4.38Å; G260-V262 PolarHBondContact O-N 3.03Å; V262-Q264 VanDerWaalsContact C-N 3.29Å; V262-Q264 PolarHBondContact O-N 3.49Å; V262-D265 HydrophobicContact CG2-CB 3.98Å; V262-D265 PolarHBondContact O-N 2.81Å; V262-L266 PolarHBondContact O-N 3Å; V262-F286 WeakPolarHBondContact CG1-O 3.25Å; V262-S287 WeakPolarHBondContact CA-O 3.5Å
263	G	98.4	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	-40.8	-175.7	0	0	0	0	0	114.1	D265 L266 E267 M284 S287	G263-D265 VanDerWaalsContact C-N 3.32Å; G263-D265 PolarHBondContact O-N 2.87Å; G263-L266 PolarHBondContact O-N 3Å; G263-E267 WeakPolarHBondContact O-CG 3.36Å; G263-E267 PolarHBondContact O-N 3.03Å; G263-M284 CarbonylContact C-O 3.57Å; G263-M284 WeakPolarHBondContact CA-O 3.45Å; G263-M284 PolarHBondContact N-O 2.91Å; G263-M284 VanDerWaalsContact N-O 3.13Å; G263-S287 PolarHBondContact N-O 2.92Å; G263-S287 VanDerWaalsContact N-O 3.13Å
264	Q	96.8	Very high	98.3	Very high	67 Å²	67	27.3 Å²	27.3	31%	0.313	15%	0.147	S	C	.	.	H	α-helix	trans	-58.5	-41.8	176.4	-180	177.4	62.3	0	0	112.7	Y77 V262 R268 M284	Y77-Q264 PolarHBondContact OH-OE1 3.48Å; V262-Q264 VanDerWaalsContact C-N 3.29Å; V262-Q264 PolarHBondContact O-N 3.49Å; Q264-R268 VanDerWaalsContact O-CB 3.26Å; Q264-R268 WeakPolarHBondContact O-CB 3.39Å; Q264-R268 PolarHBondContact O-N 3.25Å; Q264-M284 PolarHBondContact N-O 3.43Å
265	D	97.9	Very high	98.3	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.053	15%	0.149	C	C	.	.	H	α-helix	trans	-74.1	-39.2	178.2	-84.6	-33.2	0	0	0	112.5	T61 I261 V262 G263 R268 L269	T61-D265 WeakPolarHBondContact CB-OD2 3.32Å; T61-D265 PolarHBondContact OG1-OD1 2.97Å; T61-D265 PolarHBondContact OG1-OD2 3.48Å; I261-D265 HydrophobicContact CD1-CB 4.33Å; I261-D265 HydrophobicContact CG1-CB 3.91Å; V262-D265 HydrophobicContact CG2-CB 3.98Å; V262-D265 PolarHBondContact O-N 2.81Å; G263-D265 VanDerWaalsContact C-N 3.32Å; G263-D265 PolarHBondContact O-N 2.87Å; D265-R268 PolarHBondContact O-N 2.96Å; D265-R268 IonicContact OD1-CZ 3.84Å; D265-R268 IonicContact OD1-NE 3.82Å; D265-R268 PolarHBondContact OD1-NE 3.4Å; D265-R268 IonicContact OD1-NH2 2.65Å; D265-R268 PolarHBondContact OD1-NH2 3.12Å; D265-L269 WeakPolarHBondContact O-CB 3.44Å; D265-L269 VanDerWaalsContact O-CG 3.29Å; D265-L269 WeakPolarHBondContact O-CG 3.43Å; D265-L269 PolarHBondContact O-N 3.12Å
266	L	98.6	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-51	176.5	177.8	56.8	0	0	0	110.9	I245 V257 I261 V262 G263 L270 T277 W292	I245-L266 HydrophobicContact CD1-CD1 4.16Å; I245-L266 HydrophobicContact CG1-CD1 4.3Å; V257-L266 HydrophobicContact CG1-CD1 4.21Å; V257-L266 HydrophobicContact CG2-CD1 4.11Å; I261-L266 HydrophobicContact CD1-CB 3.91Å; I261-L266 HydrophobicContact CD1-CD1 4.18Å; I261-L266 HydrophobicContact CG1-CB 4.16Å; I261-L266 HydrophobicContact CG2-CB 4.22Å; I261-L266 HydrophobicContact CG2-CD2 4.47Å; V262-L266 PolarHBondContact O-N 3Å; G263-L266 PolarHBondContact O-N 3Å; L266-L270 HydrophobicContact CD1-CD1 3.69Å; L266-L270 HydrophobicContact CD1-CG 4.09Å; L266-L270 HydrophobicContact CG-CD1 4.02Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.26Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.39Å; L266-T277 HydrophobicContact CD2-CG2 3.84Å; L266-T277 HydrophobicContact CG-CG2 4.08Å; L266-W292 HydrophobicContact CD2-CZ3 4.1Å
267	E	98.5	Very high	98.3	Very high	14 Å²	14	27.5 Å²	27.5	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-44.9	177.7	-64.6	-56.7	116.6	0	0	111.2	G263 L269 L270 N271 C276 T277 G278 M284	G263-E267 WeakPolarHBondContact O-CG 3.36Å; G263-E267 PolarHBondContact O-N 3.03Å; E267-L269 PolarHBondContact O-N 2.57Å; E267-L270 PolarHBondContact O-N 2.89Å; E267-N271 VanDerWaalsContact O-CB 3.26Å; E267-N271 WeakPolarHBondContact O-CB 3.5Å; E267-N271 PolarHBondContact O-N 3.34Å; E267-N271 PolarHBondContact O-ND2 2.82Å; E267-N271 PolarHBondContact O-OD1 3.34Å; E267-C276 VanDerWaalsContact OE2-CB 3.24Å; E267-C276 WeakPolarHBondContact OE2-CB 3.38Å; E267-T277 VanDerWaalsContact OE1-CB 3.25Å; E267-T277 WeakPolarHBondContact OE1-CB 3.39Å; E267-T277 WeakPolarHBondContact OE1-CG2 3.42Å; E267-T277 PolarHBondContact OE1-N 2.55Å; E267-T277 PolarHBondContact OE1-OG1 3.38Å; E267-T277 PolarHBondContact OE2-N 2.98Å; E267-G278 PolarHBondContact OE2-N 3.05Å; E267-M284 HydrophobicContact CG-CE 3.95Å
268	R	97.8	Very high	98.2	Very high	91 Å²	91	27.6 Å²	27.6	34%	0.343	15%	0.147	S	C	.	.	H	α-helix	trans	-57	-49.2	179	-178.3	-175.6	57.4	71.3	-0.5	112.1	Q264 D265 N271 E272	Q264-R268 VanDerWaalsContact O-CB 3.26Å; Q264-R268 WeakPolarHBondContact O-CB 3.39Å; Q264-R268 PolarHBondContact O-N 3.25Å; D265-R268 PolarHBondContact O-N 2.96Å; D265-R268 IonicContact OD1-CZ 3.84Å; D265-R268 IonicContact OD1-NE 3.82Å; D265-R268 PolarHBondContact OD1-NE 3.4Å; D265-R268 IonicContact OD1-NH2 2.65Å; D265-R268 PolarHBondContact OD1-NH2 3.12Å; R268-N271 PolarHBondContact O-N 2.82Å; R268-E272 IonicContact NH1-OE1 3.71Å; R268-E272 PolarHBondContact NH1-OE1 3.33Å; R268-E272 WeakPolarHBondContact O-CG 3.14Å; R268-E272 PolarHBondContact O-N 3.42Å
269	L	97.8	Very high	98.2	Very high	50 Å²	50	27.4 Å²	27.4	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-70.4	-36.8	-177.5	-69.4	170.9	0	0	0	112.5	I245 I261 D265 E267 N271 E272	I245-L269 HydrophobicContact CD1-CB 3.64Å; I245-L269 HydrophobicContact CD1-CD1 4.49Å; I261-L269 HydrophobicContact CD1-CD1 4.13Å; D265-L269 WeakPolarHBondContact O-CB 3.44Å; D265-L269 VanDerWaalsContact O-CG 3.29Å; D265-L269 WeakPolarHBondContact O-CG 3.43Å; D265-L269 PolarHBondContact O-N 3.12Å; E267-L269 PolarHBondContact O-N 2.57Å; L269-N271 VanDerWaalsContact C-N 3.35Å; L269-E272 PolarHBondContact O-N 3.23Å
270	L	98.6	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-38.1	173.1	-72.3	173.6	0	0	0	111.7	I245 I248 A255 L266 E267 E272 S273 G274 Y275 T277 I360	I245-L270 HydrophobicContact CD1-CD2 3.85Å; I245-L270 HydrophobicContact CD1-CG 3.87Å; I248-L270 HydrophobicContact CD1-CD2 3.86Å; I248-L270 HydrophobicContact CG1-CD2 4.24Å; A255-L270 HydrophobicContact CB-CD2 3.95Å; L266-L270 HydrophobicContact CD1-CD1 3.69Å; L266-L270 HydrophobicContact CD1-CG 4.09Å; L266-L270 HydrophobicContact CG-CD1 4.02Å; L266-L270 WeakPolarHBondContact O-CB 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.26Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.39Å; E267-L270 PolarHBondContact O-N 2.89Å; L270-E272 VanDerWaalsContact C-N 3.26Å; L270-E272 PolarHBondContact O-N 2.94Å; L270-S273 CarbonylContact O-C 3.56Å; L270-S273 WeakPolarHBondContact O-CA 3.21Å; L270-S273 WeakPolarHBondContact O-CB 3.37Å; L270-S273 PolarHBondContact O-N 3.3Å; L270-G274 PolarHBondContact O-N 2.79Å; L270-Y275 CarbonylContact C-O 3.57Å; L270-Y275 VanDerWaalsContact CB-O 3.3Å; L270-Y275 WeakPolarHBondContact CB-O 3.43Å; L270-Y275 PolarHBondContact O-N 3.3Å; L270-Y275 VanDerWaalsContact O-O 3.12Å; L270-T277 HydrophobicContact CD1-CG2 3.57Å; L270-I360 HydrophobicContact CD1-CG2 3.83Å; L270-I360 HydrophobicContact CD2-CG2 4.06Å
271	N	97.9	Very high	98.2	Very high	64 Å²	64	29 Å²	29	34%	0.342	15%	0.154	S	C	.	.	H	α-helix	trans	-62.9	-34	179.8	-70	-3.8	0	0	0	111.8	E267 R268 L269 S273 G274 Y275 M363	E267-N271 VanDerWaalsContact O-CB 3.26Å; E267-N271 WeakPolarHBondContact O-CB 3.5Å; E267-N271 PolarHBondContact O-N 3.34Å; E267-N271 PolarHBondContact O-ND2 2.82Å; E267-N271 PolarHBondContact O-OD1 3.34Å; R268-N271 PolarHBondContact O-N 2.82Å; L269-N271 VanDerWaalsContact C-N 3.35Å; N271-S273 PolarHBondContact O-N 3.01Å; N271-G274 PolarHBondContact O-N 3.1Å; N271-Y275 VanDerWaalsContact CA-O 3.32Å; N271-Y275 WeakPolarHBondContact CA-O 3.33Å; N271-Y275 PolarHBondContact N-O 3.38Å; N271-Y275 PolarHBondContact OD1-O 2.83Å; N271-M363 PolarHBondContact OD1-SD 3.24Å
272	E	97.2	Very high	98.1	Very high	135 Å²	135	31.5 Å²	31.5	63%	0.631	17%	0.167	S	C	*	.	H	α-helix	trans	-58.6	-25.5	172.7	-68.7	167.8	-156.5	0	0	112.1	R268 L269 L270	R268-E272 IonicContact NH1-OE1 3.71Å; R268-E272 PolarHBondContact NH1-OE1 3.33Å; R268-E272 WeakPolarHBondContact O-CG 3.14Å; R268-E272 PolarHBondContact O-N 3.42Å; L269-E272 PolarHBondContact O-N 3.23Å; L270-E272 VanDerWaalsContact C-N 3.26Å; L270-E272 PolarHBondContact O-N 2.94Å
273	S	97.1	Very high	98	Very high	65 Å²	65	32.5 Å²	32.5	46%	0.455	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	6.6	174.3	-57.2	0	0	0	0	113.7	L270 N271 Y275	L270-S273 CarbonylContact O-C 3.56Å; L270-S273 WeakPolarHBondContact O-CA 3.21Å; L270-S273 WeakPolarHBondContact O-CB 3.37Å; L270-S273 PolarHBondContact O-N 3.3Å; N271-S273 PolarHBondContact O-N 3.01Å; S273-Y275 WeakPolarHBondContact O-CD2 3.46Å; S273-Y275 VanDerWaalsContact O-CE2 3.28Å; S273-Y275 WeakPolarHBondContact O-CE2 3.4Å
274	G	98.3	Very high	98	Very high	38 Å²	38	33.6 Å²	33.6	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	16.7	179.8	0	0	0	0	0	115.3	L270 N271 P362 M363	L270-G274 PolarHBondContact O-N 2.79Å; N271-G274 PolarHBondContact O-N 3.1Å; G274-P362 WeakPolarHBondContact O-CA 3.41Å; G274-M363 PolarHBondContact O-N 2.96Å
275	Y	98.8	Very high	97.9	Very high	27 Å²	27	31.2 Å²	31.2	11%	0.106	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	164.3	-178.6	-62.5	-75.8	0	0	0	112.6	I248 E250 L253 L270 N271 S273 I360 R361	I248-Y275 HydrophobicContact CG2-CD2 4.33Å; I248-Y275 HydrophobicContact CG2-CE2 4.37Å; E250-Y275 WeakPolarHBondContact CB-OH 3.45Å; E250-Y275 HydrophobicContact CG-CE2 3.81Å; E250-Y275 WeakPolarHBondContact CG-OH 3.44Å; E250-Y275 PolarHBondContact OE2-OH 2.82Å; L253-Y275 HydrophobicContact CD2-CD1 4.39Å; L253-Y275 HydrophobicContact CD2-CE1 3.71Å; L270-Y275 CarbonylContact C-O 3.57Å; L270-Y275 VanDerWaalsContact CB-O 3.3Å; L270-Y275 WeakPolarHBondContact CB-O 3.43Å; L270-Y275 PolarHBondContact O-N 3.3Å; L270-Y275 VanDerWaalsContact O-O 3.12Å; N271-Y275 VanDerWaalsContact CA-O 3.32Å; N271-Y275 WeakPolarHBondContact CA-O 3.33Å; N271-Y275 PolarHBondContact N-O 3.38Å; N271-Y275 PolarHBondContact OD1-O 2.83Å; S273-Y275 WeakPolarHBondContact O-CD2 3.46Å; S273-Y275 VanDerWaalsContact O-CE2 3.28Å; S273-Y275 WeakPolarHBondContact O-CE2 3.4Å; Y275-I360 HydrophobicContact CD1-CD1 3.87Å; Y275-I360 HydrophobicContact CD1-CG1 4.22Å; Y275-I360 HydrophobicContact CD2-CD1 4.13Å; Y275-I360 HydrophobicContact CE1-CD1 4.43Å; Y275-I360 HydrophobicContact CG-CD1 3.72Å; Y275-I360 HydrophobicContact CG-CG1 4.41Å; Y275-R361 CarbonylContact C-O 3.56Å; Y275-R361 WeakPolarHBondContact CA-O 3.2Å
276	C	98.8	Very high	97.9	Very high	2 Å²	2	31 Å²	31	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.9	172.1	59.9	0	0	0	0	110.4	E267 I360 R361 M363	E267-C276 VanDerWaalsContact OE2-CB 3.24Å; E267-C276 WeakPolarHBondContact OE2-CB 3.38Å; C276-I360 CarbonylContact O-C 3.54Å; C276-I360 VanDerWaalsContact O-CA 3.3Å; C276-I360 WeakPolarHBondContact O-CA 3.12Å; C276-R361 PolarHBondContact N-O 3.2Å; C276-R361 PolarHBondContact O-N 3.39Å; C276-M363 HydrophobicContact CB-SD 3.62Å
277	T	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.			trans	-88.3	-30.3	163.3	75.4	0	0	0	0	111.1	L266 E267 L270 H279 Y305 I358 I360	L266-T277 HydrophobicContact CD2-CG2 3.84Å; L266-T277 HydrophobicContact CG-CG2 4.08Å; E267-T277 VanDerWaalsContact OE1-CB 3.25Å; E267-T277 WeakPolarHBondContact OE1-CB 3.39Å; E267-T277 WeakPolarHBondContact OE1-CG2 3.42Å; E267-T277 PolarHBondContact OE1-N 2.55Å; E267-T277 PolarHBondContact OE1-OG1 3.38Å; E267-T277 PolarHBondContact OE2-N 2.98Å; L270-T277 HydrophobicContact CD1-CG2 3.57Å; T277-H279 PolarHBondContact O-N 2.99Å; T277-H279 WeakPolarHBondContact OG1-CB 3.4Å; T277-H279 PolarHBondContact OG1-N 2.75Å; T277-Y305 WeakPolarHBondContact O-CD1 3.39Å; T277-I358 HydrophobicContact CG2-CD1 4.15Å; T277-I358 HydrophobicContact CG2-CG2 4.16Å; T277-I360 HydrophobicContact CG2-CG2 4.42Å
278	G	98.3	Very high	97.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	17%	0.166	C	C	.	.			trans	69.9	6.5	-171.4	0	0	0	0	0	114	E267 E280 K301	E267-G278 PolarHBondContact OE2-N 3.05Å; G278-E280 PolarHBondContact O-N 3.45Å; G278-K301 WeakPolarHBondContact O-CE 3.36Å
279	H	98.7	Very high	98	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.15	C	C	.	.			trans	-81.1	93.2	174.4	-167.2	74	0	0	0	110.6	T277 P281 W292 A297 L311	T277-H279 PolarHBondContact O-N 2.99Å; T277-H279 WeakPolarHBondContact OG1-CB 3.4Å; T277-H279 PolarHBondContact OG1-N 2.75Å; H279-P281 VanDerWaalsContact C-CD 3.44Å; H279-P281 WeakPolarHBondContact O-CD 3.36Å; H279-W292 HydrophobicContact CB-CZ3 4.31Å; H279-W292 AromaticContact CD2-CD2 3.51Å; H279-W292 AromaticContact CD2-CE2 3.83Å; H279-W292 AromaticContact CD2-CE3 3.31Å; H279-W292 AromaticContact CD2-CH2 3.77Å; H279-W292 AromaticContact CD2-CZ2 3.97Å; H279-W292 AromaticContact CD2-CZ3 3.46Å; H279-W292 VanDerWaalsContact CD2-CZ3 3.46Å; H279-W292 WeakPolarHBondContact CD2-CZ3 3.24Å; H279-W292 AromaticContact NE2-CD2 3.73Å; H279-W292 AromaticContact NE2-CE3 3.92Å; H279-W292 AromaticContact NE2-CG 3.9Å; H279-A297 PolarHBondContact CE1-O 3.18Å; H279-L311 HydrophobicContact CB-CD1 3.63Å
280	E	98.1	Very high	98	Very high	29 Å²	29	24.4 Å²	24.4	14%	0.136	14%	0.142	C	C	.	.			trans	-114.4	78.8	-176	-65.4	179.7	-163.6	0	0	110.9	G278 M284 G299 M300 K301 Y484	G278-E280 PolarHBondContact O-N 3.45Å; E280-M284 HydrophobicContact CB-SD 3.98Å; E280-M284 HydrophobicContact CG-CE 4.29Å; E280-M284 HydrophobicContact CG-SD 3.92Å; E280-G299 WeakPolarHBondContact O-CA 3.5Å; E280-M300 WeakPolarHBondContact O-CB 3.34Å; E280-M300 VanDerWaalsContact O-CG 3.23Å; E280-M300 WeakPolarHBondContact O-CG 3.37Å; E280-M300 PolarHBondContact O-N 2.94Å; E280-K301 WeakPolarHBondContact OE1-CE 3.44Å; E280-K301 IonicContact OE1-NZ 3.68Å; E280-K301 PolarHBondContact OE1-NZ 3.39Å; E280-Y484 PolarHBondContact OE2-OH 3.38Å
281	P	98	Very high	98	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.058	16%	0.155	C	C	.	.			trans	-69.1	152.8	164.7	28.9	-32.3	0	0	0	110.1	H279 S283 M284 W292	H279-P281 VanDerWaalsContact C-CD 3.44Å; H279-P281 WeakPolarHBondContact O-CD 3.36Å; P281-S283 PolarHBondContact O-N 2.94Å; P281-M284 HydrophobicContact CG-CB 4.2Å; P281-M284 VanDerWaalsContact O-CB 3.29Å; P281-M284 WeakPolarHBondContact O-CB 3.37Å; P281-M284 PolarHBondContact O-N 2.99Å; P281-W292 HydrophobicContact CG-CZ2 3.79Å
282	D	97	Very high	98.1	Very high	52 Å²	52	22.9 Å²	22.9	28%	0.278	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.6	-179.7	-62.8	10.7	0	0	0	112.6	T487 R545	D282-T487 HydrophobicContact CB-CG2 4.02Å; D282-T487 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T487 WeakPolarHBondContact OD2-CG2 3.41Å; D282-R545 IonicContact OD2-NH2 3.96Å
283	S	97.8	Very high	98.2	Very high	28 Å²	28	16.4 Å²	16.4	20%	0.196	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6.8	178.9	62.6	0	0	0	0	115.1	P281 E285 F286 S287	P281-S283 PolarHBondContact O-N 2.94Å; S283-E285 PolarHBondContact O-N 3.46Å; S283-F286 PolarHBondContact O-N 2.83Å; S283-S287 VanDerWaalsContact C-OG 3.29Å; S283-S287 PolarHBondContact O-N 2.84Å; S283-S287 PolarHBondContact O-OG 2.92Å; S283-S287 VanDerWaalsContact OG-CB 3.22Å; S283-S287 WeakPolarHBondContact OG-CB 3.28Å; S283-S287 PolarHBondContact OG-OG 3.01Å
284	M	96.6	Very high	98.3	Very high	22 Å²	22	14.1 Å²	14.1	11%	0.108	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.9	-168.5	67.8	178.1	-66.6	0	0	115.5	G263 Q264 E267 E280 P281 F286 F488	G263-M284 CarbonylContact C-O 3.57Å; G263-M284 WeakPolarHBondContact CA-O 3.45Å; G263-M284 PolarHBondContact N-O 2.91Å; G263-M284 VanDerWaalsContact N-O 3.13Å; Q264-M284 PolarHBondContact N-O 3.43Å; E267-M284 HydrophobicContact CG-CE 3.95Å; E280-M284 HydrophobicContact CB-SD 3.98Å; E280-M284 HydrophobicContact CG-CE 4.29Å; E280-M284 HydrophobicContact CG-SD 3.92Å; P281-M284 HydrophobicContact CG-CB 4.2Å; P281-M284 VanDerWaalsContact O-CB 3.29Å; P281-M284 WeakPolarHBondContact O-CB 3.37Å; P281-M284 PolarHBondContact O-N 2.99Å; M284-F286 PolarHBondContact O-N 3.4Å; M284-F488 HydrophobicContact CG-CE1 4.01Å; M284-F488 HydrophobicContact SD-CE1 4.07Å; M284-F488 HydrophobicContact SD-CZ 4.24Å
285	E	96.4	Very high	98.3	Very high	17 Å²	17	14.2 Å²	14.2	8%	0.079	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.1	173.8	-63.1	-177.1	105.5	0	0	112.4	Y97 S283	Y97-E285 WeakPolarHBondContact CE1-OE1 3.25Å; Y97-E285 PolarHBondContact OH-OE1 3.41Å; Y97-E285 PolarHBondContact OH-OE2 3.38Å; S283-E285 PolarHBondContact O-N 3.46Å
286	F	97.1	Very high	98.3	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.031	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-34.3	-173.9	-47.3	-64.3	0	0	0	113.4	M70 W75 Y77 G216 T218 V262 S283 M284	M70-F286 HydrophobicContact CE-CD1 3.68Å; M70-F286 HydrophobicContact CE-CE1 4Å; M70-F286 HydrophobicContact SD-CD1 4.12Å; M70-F286 HydrophobicContact SD-CE1 4.37Å; W75-F286 AromaticContact CE2-CE2 3.92Å; W75-F286 AromaticContact CH2-CD2 3.76Å; W75-F286 HydrophobicContact CH2-CD2 3.76Å; W75-F286 HydrophobicContact CH2-CE2 4.3Å; W75-F286 AromaticContact CZ2-CD2 3.63Å; W75-F286 HydrophobicContact CZ2-CD2 3.63Å; W75-F286 AromaticContact CZ2-CE2 3.72Å; W75-F286 HydrophobicContact CZ2-CE2 3.72Å; W75-F286 HydrophobicContact CZ3-CD2 4.45Å; Y77-F286 HydrophobicContact CD1-CE1 4.28Å; Y77-F286 HydrophobicContact CD2-CE1 4.23Å; Y77-F286 AromaticContact CD2-CZ 3.85Å; Y77-F286 HydrophobicContact CD2-CZ 3.85Å; Y77-F286 AromaticContact CE1-CE1 3.84Å; Y77-F286 HydrophobicContact CE1-CE1 3.84Å; Y77-F286 HydrophobicContact CE1-CZ 4.43Å; Y77-F286 AromaticContact CE2-CE1 3.8Å; Y77-F286 HydrophobicContact CE2-CE1 3.8Å; Y77-F286 AromaticContact CE2-CZ 3.67Å; Y77-F286 HydrophobicContact CE2-CZ 3.67Å; Y77-F286 HydrophobicContact CG-CE1 4.46Å; Y77-F286 HydrophobicContact CG-CZ 4.32Å; Y77-F286 AromaticContact CZ-CE1 3.58Å; Y77-F286 AromaticContact CZ-CZ 3.97Å; G216-F286 WeakPolarHBondContact CA-O 3.45Å; T218-F286 HydrophobicContact CG2-CB 3.69Å; V262-F286 WeakPolarHBondContact CG1-O 3.25Å; S283-F286 PolarHBondContact O-N 2.83Å; M284-F286 PolarHBondContact O-N 3.4Å
287	S	98.7	Very high	98.3	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.028	10%	0.098	C	C	.	.			trans	-66.7	136.7	-178.5	60	0	0	0	0	111.5	T218 V262 G263 S283 W292	T218-S287 WeakPolarHBondContact OG1-CB 3.39Å; V262-S287 WeakPolarHBondContact CA-O 3.5Å; G263-S287 PolarHBondContact N-O 2.92Å; G263-S287 VanDerWaalsContact N-O 3.13Å; S283-S287 VanDerWaalsContact C-OG 3.29Å; S283-S287 PolarHBondContact O-N 2.84Å; S283-S287 PolarHBondContact O-OG 2.92Å; S283-S287 VanDerWaalsContact OG-CB 3.22Å; S283-S287 WeakPolarHBondContact OG-CB 3.28Å; S283-S287 PolarHBondContact OG-OG 3.01Å; S287-W292 PolarHBondContact OG-NE1 3.24Å
288	S	98.8	Very high	98.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-99.4	158.4	-177	66.6	0	0	0	0	113.5	G215 I261 G290 G291 W292	G215-S288 WeakPolarHBondContact CA-OG 3.39Å; I261-S288 CarbonylContact O-C 3.5Å; I261-S288 WeakPolarHBondContact O-CA 3.48Å; I261-S288 WeakPolarHBondContact O-CB 3.42Å; S288-G290 VanDerWaalsContact C-N 3.33Å; S288-G290 PolarHBondContact O-N 3.39Å; S288-G291 WeakPolarHBondContact O-CA 3.48Å; S288-G291 PolarHBondContact O-N 3.45Å; S288-G291 PolarHBondContact OG-N 3.29Å; S288-W292 PolarHBondContact O-N 2.83Å
289	L	98.9	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-55.2	-43.3	178.1	177.9	56.2	0	0	0	113.1	V257 S259 I261 G291 W292 V293 I308 V356 I358	V257-L289 HydrophobicContact CB-CD2 3.86Å; V257-L289 HydrophobicContact CG1-CD2 4.21Å; S259-L289 PolarHBondContact O-N 3.49Å; I261-L289 HydrophobicContact CG2-CB 3.99Å; I261-L289 HydrophobicContact CG2-CD2 4.34Å; I261-L289 PolarHBondContact O-N 3.27Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 2.81Å; L289-W292 HydrophobicContact CB-CE3 4.39Å; L289-W292 HydrophobicContact CD1-CE3 3.79Å; L289-W292 HydrophobicContact CD1-CZ3 4.28Å; L289-W292 WeakPolarHBondContact O-CB 3.37Å; L289-W292 PolarHBondContact O-N 2.74Å; L289-V293 PolarHBondContact O-N 2.81Å; L289-V293 VanDerWaalsContact O-N 3.12Å; L289-I308 HydrophobicContact CD1-CD1 4.19Å; L289-V356 HydrophobicContact CD1-CG1 4.35Å; L289-V356 HydrophobicContact CD2-CB 3.85Å; L289-V356 HydrophobicContact CD2-CG1 4.34Å; L289-V356 HydrophobicContact CD2-CG2 4.39Å; L289-V356 HydrophobicContact CG-CB 4.13Å; L289-V356 HydrophobicContact CG-CG1 4.44Å; L289-V356 HydrophobicContact CG-CG2 4.22Å; L289-I358 HydrophobicContact CD1-CD1 4.01Å
290	G	98.9	Very high	98.2	Very high	10 Å²	10	17.9 Å²	17.9	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-35.6	175	0	0	0	0	0	112.8	S259 S288 V293 A294	S259-G290 PolarHBondContact O-N 3.04Å; S288-G290 VanDerWaalsContact C-N 3.33Å; S288-G290 PolarHBondContact O-N 3.39Å; G290-V293 PolarHBondContact O-N 3.03Å; G290-A294 WeakPolarHBondContact O-CB 3.48Å; G290-A294 PolarHBondContact O-N 3.04Å
291	G	98.9	Very high	98.2	Very high	26 Å²	26	16.7 Å²	16.7	27%	0.268	10%	0.099	S	C	.	.	H	α-helix	trans	-63.2	-44.3	172.4	0	0	0	0	0	111.7	S288 L289 V293 A294 T295	S288-G291 WeakPolarHBondContact O-CA 3.48Å; S288-G291 PolarHBondContact O-N 3.45Å; S288-G291 PolarHBondContact OG-N 3.29Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 2.81Å; G291-V293 VanDerWaalsContact C-N 3.33Å; G291-V293 PolarHBondContact O-N 3.27Å; G291-A294 PolarHBondContact O-N 3.18Å; G291-A294 VanDerWaalsContact O-N 3.12Å; G291-T295 PolarHBondContact O-N 2.97Å; G291-T295 PolarHBondContact O-OG1 3.39Å; G291-T295 VanDerWaalsContact O-OG1 3.05Å
292	W	98.9	Very high	98.2	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-43.4	177.3	-58.6	-20.4	0	0	0	112.6	L266 H279 P281 S287 S288 L289 T295 R296 A297 I308	L266-W292 HydrophobicContact CD2-CZ3 4.1Å; H279-W292 HydrophobicContact CB-CZ3 4.31Å; H279-W292 AromaticContact CD2-CD2 3.51Å; H279-W292 AromaticContact CD2-CE2 3.83Å; H279-W292 AromaticContact CD2-CE3 3.31Å; H279-W292 AromaticContact CD2-CH2 3.77Å; H279-W292 AromaticContact CD2-CZ2 3.97Å; H279-W292 AromaticContact CD2-CZ3 3.46Å; H279-W292 VanDerWaalsContact CD2-CZ3 3.46Å; H279-W292 WeakPolarHBondContact CD2-CZ3 3.24Å; H279-W292 AromaticContact NE2-CD2 3.73Å; H279-W292 AromaticContact NE2-CE3 3.92Å; H279-W292 AromaticContact NE2-CG 3.9Å; P281-W292 HydrophobicContact CG-CZ2 3.79Å; S287-W292 PolarHBondContact OG-NE1 3.24Å; S288-W292 PolarHBondContact O-N 2.83Å; L289-W292 HydrophobicContact CB-CE3 4.39Å; L289-W292 HydrophobicContact CD1-CE3 3.79Å; L289-W292 HydrophobicContact CD1-CZ3 4.28Å; L289-W292 WeakPolarHBondContact O-CB 3.37Å; L289-W292 PolarHBondContact O-N 2.74Å; W292-T295 PolarHBondContact O-N 3.4Å; W292-R296 WeakPolarHBondContact O-CA 3.39Å; W292-R296 PolarHBondContact O-N 3.21Å; W292-A297 HydrophobicContact CB-CB 3.72Å; W292-A297 HydrophobicContact CG-CB 3.88Å; W292-A297 PolarHBondContact O-N 3.22Å; W292-I308 HydrophobicContact CB-CD1 3.91Å; W292-I308 HydrophobicContact CB-CG1 3.96Å; W292-I308 HydrophobicContact CE3-CD1 4.28Å
293	V	98.9	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-48.5	173.4	174.5	0	0	0	0	110.4	L289 G290 G291 T295 I308 V312 I315 I343 L344 G345 V353 V356	L289-V293 PolarHBondContact O-N 2.81Å; L289-V293 VanDerWaalsContact O-N 3.12Å; G290-V293 PolarHBondContact O-N 3.03Å; G291-V293 VanDerWaalsContact C-N 3.33Å; G291-V293 PolarHBondContact O-N 3.27Å; V293-T295 VanDerWaalsContact C-N 3.25Å; V293-T295 PolarHBondContact O-N 2.9Å; V293-I308 HydrophobicContact CG2-CG1 4.25Å; V293-V312 HydrophobicContact CG2-CG2 4.07Å; V293-I315 HydrophobicContact CG1-CD1 3.88Å; V293-I343 HydrophobicContact CG1-CG2 4.05Å; V293-L344 HydrophobicContact CB-CD2 4.42Å; V293-L344 HydrophobicContact CG1-CD2 3.94Å; V293-L344 HydrophobicContact CG1-CG 4.49Å; V293-L344 WeakPolarHBondContact O-CA 3.48Å; V293-G345 PolarHBondContact O-N 3.32Å; V293-V353 HydrophobicContact CG1-CG2 3.95Å; V293-V356 HydrophobicContact CG2-CG2 4.09Å
294	A	98.9	Very high	98.3	Very high	16 Å²	16	19.4 Å²	19.4	13%	0.132	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-26.5	-176.8	0	0	0	0	0	113.7	G290 G291 G345 S346 E347	G290-A294 WeakPolarHBondContact O-CB 3.48Å; G290-A294 PolarHBondContact O-N 3.04Å; G291-A294 PolarHBondContact O-N 3.18Å; G291-A294 VanDerWaalsContact O-N 3.12Å; A294-G345 CarbonylContact O-C 3.52Å; A294-G345 WeakPolarHBondContact O-CA 3.47Å; A294-G345 PolarHBondContact O-N 2.96Å; A294-S346 PolarHBondContact O-N 3.25Å; A294-E347 WeakPolarHBondContact O-CA 3.2Å; A294-E347 WeakPolarHBondContact O-CG 3.5Å; A294-E347 PolarHBondContact O-N 3.03Å
295	T	98.8	Very high	98.4	Very high	40 Å²	40	19.5 Å²	19.5	25%	0.245	11%	0.108	C	C	.	.	H	α-helix	trans	-115.4	3.1	-174.7	65.7	0	0	0	0	114.8	G291 W292 V293	G291-T295 PolarHBondContact O-N 2.97Å; G291-T295 PolarHBondContact O-OG1 3.39Å; G291-T295 VanDerWaalsContact O-OG1 3.05Å; W292-T295 PolarHBondContact O-N 3.4Å; V293-T295 VanDerWaalsContact C-N 3.25Å; V293-T295 PolarHBondContact O-N 2.9Å
296	R	98.8	Very high	98.5	Very high	79 Å²	79	19.3 Å²	19.3	30%	0.298	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	51.4	-172.3	-58.6	-175	63.2	87	5	112.6	W292 E309 L344	W292-R296 WeakPolarHBondContact O-CA 3.39Å; W292-R296 PolarHBondContact O-N 3.21Å; R296-E309 IonicContact CZ-OE1 2.94Å; R296-E309 IonicContact NH2-OE1 2.73Å; R296-E309 PolarHBondContact NH2-OE1 3.49Å; R296-E309 IonicContact NH2-OE2 3.21Å; R296-L344 HydrophobicContact CG-CB 4.33Å
297	A	98.8	Very high	98.6	Very high	7 Å²	7	19.4 Å²	19.4	6%	0.058	11%	0.112	C	C	.	.			trans	-59.1	146.8	-177.1	0	0	0	0	0	113	H279 W292 I308	H279-A297 PolarHBondContact CE1-O 3.18Å; W292-A297 HydrophobicContact CB-CB 3.72Å; W292-A297 HydrophobicContact CG-CB 3.88Å; W292-A297 PolarHBondContact O-N 3.22Å; A297-I308 WeakPolarHBondContact O-CG2 3.42Å; A297-I308 PolarHBondContact O-N 3.25Å
298	S	98.8	Very high	98.6	Very high	11 Å²	11	19.2 Å²	19.2	8%	0.077	11%	0.11	C	C	.	.			trans	-118.7	136.5	175.6	-176.1	0	0	0	0	109.8	N307	S298-N307 VanDerWaalsContact CB-OD1 3.3Å; S298-N307 WeakPolarHBondContact CB-OD1 3.38Å; S298-N307 PolarHBondContact OG-OD1 3.39Å
299	G	97.6	Very high	98.6	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.121	C	C	.	.			trans	-104.8	154.7	-179.5	0	0	0	0	0	113.1	E280 K301 K302 Q548	E280-G299 WeakPolarHBondContact O-CA 3.5Å; G299-K301 PolarHBondContact O-N 3.4Å; G299-K302 PolarHBondContact O-N 2.9Å; G299-Q548 PolarHBondContact O-NE2 3.06Å
300	M	96.9	Very high	98.6	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.044	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.2	-179	-65.8	172.8	79.3	0	0	113.9	E280 S396 R398 Y484 T487 F488	E280-M300 WeakPolarHBondContact O-CB 3.34Å; E280-M300 VanDerWaalsContact O-CG 3.23Å; E280-M300 WeakPolarHBondContact O-CG 3.37Å; E280-M300 PolarHBondContact O-N 2.94Å; M300-S396 VanDerWaalsContact O-CB 3.24Å; M300-S396 WeakPolarHBondContact O-CB 3.36Å; M300-S396 PolarHBondContact O-OG 3.21Å; M300-R398 VanDerWaalsContact CE-NH1 3.3Å; M300-Y484 HydrophobicContact CB-CE2 4.45Å; M300-Y484 HydrophobicContact CE-CD1 4.15Å; M300-Y484 HydrophobicContact CE-CD2 3.56Å; M300-Y484 HydrophobicContact CE-CE1 3.9Å; M300-Y484 HydrophobicContact CE-CE2 3.27Å; M300-Y484 HydrophobicContact CE-CG 3.99Å; M300-Y484 VanDerWaalsContact CE-CZ 3.46Å; M300-Y484 HydrophobicContact SD-CE1 4.22Å; M300-Y484 HydrophobicContact SD-CE2 4.2Å; M300-T487 HydrophobicContact CE-CG2 3.88Å; M300-T487 HydrophobicContact SD-CG2 4.03Å; M300-F488 HydrophobicContact SD-CZ 4.26Å
301	K	98.5	Very high	98.6	Very high	4 Å²	4	25 Å²	25	2%	0.017	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	18	-174.5	-53.1	-170.9	-52.2	-174.3	0	114.5	G278 E280 G299 N303 I304 Y305 A395 L448 E450	G278-K301 WeakPolarHBondContact O-CE 3.36Å; E280-K301 WeakPolarHBondContact OE1-CE 3.44Å; E280-K301 IonicContact OE1-NZ 3.68Å; E280-K301 PolarHBondContact OE1-NZ 3.39Å; G299-K301 PolarHBondContact O-N 3.4Å; K301-N303 PolarHBondContact O-N 3.41Å; K301-I304 PolarHBondContact O-N 3.44Å; K301-I304 VanDerWaalsContact O-N 3.09Å; K301-Y305 HydrophobicContact CB-CD2 3.78Å; K301-Y305 HydrophobicContact CB-CE2 3.99Å; K301-Y305 HydrophobicContact CD-CE2 4.35Å; K301-Y305 WeakPolarHBondContact O-CD2 3.27Å; K301-Y305 PolarHBondContact O-N 3.14Å; K301-A395 CarbonylContact C-O 3.55Å; K301-A395 VanDerWaalsContact CA-O 3.27Å; K301-A395 WeakPolarHBondContact CA-O 3.23Å; K301-L448 HydrophobicContact CD-CD2 3.97Å; K301-L448 HydrophobicContact CG-CD2 4.36Å; K301-E450 WeakPolarHBondContact CD-OE1 3.44Å; K301-E450 WeakPolarHBondContact CD-OE2 3.47Å; K301-E450 VanDerWaalsContact CE-OE1 3.31Å; K301-E450 WeakPolarHBondContact CE-OE1 3.41Å; K301-E450 IonicContact NZ-OE1 3Å; K301-E450 PolarHBondContact NZ-OE1 3.08Å; K301-E450 IonicContact NZ-OE2 3.83Å; K301-E450 PolarHBondContact NZ-OE2 2.79Å
302	K	98.6	Very high	98.6	Very high	22 Å²	22	24.6 Å²	24.6	10%	0.096	13%	0.129	C	C	.	.	H	α-helix	trans	-54.1	-21.6	-174.6	71.5	151.2	-166.4	80	0	114.6	G299 I304 G306 N307 Q548 T549 Y550	G299-K302 PolarHBondContact O-N 2.9Å; K302-I304 PolarHBondContact O-N 3.42Å; K302-G306 VanDerWaalsContact O-CA 3.23Å; K302-G306 WeakPolarHBondContact O-CA 3.46Å; K302-G306 PolarHBondContact O-N 3.23Å; K302-N307 WeakPolarHBondContact CB-OD1 3.42Å; K302-N307 VanDerWaalsContact CD-OD1 3.29Å; K302-N307 WeakPolarHBondContact CD-OD1 3.5Å; K302-Q548 HydrophobicContact CD-CG 4.43Å; K302-Q548 VanDerWaalsContact CE-OE1 3.31Å; K302-T549 PolarHBondContact NZ-O 3.02Å; K302-Y550 HydrophobicContact CD-CE1 4.03Å; K302-Y550 WeakPolarHBondContact CD-OH 3.46Å; K302-Y550 VanDerWaalsContact CE-CE1 3.45Å; K302-Y550 VanDerWaalsContact CE-OH 3.32Å; K302-Y550 WeakPolarHBondContact CE-OH 3.37Å
303	N	98.4	Very high	98.6	Very high	45 Å²	45	25.7 Å²	25.7	24%	0.241	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-25	-177.8	-61.6	-27	0	0	0	112.4	K301 A393 P394 A395	K301-N303 PolarHBondContact O-N 3.41Å; N303-A393 HydrophobicContact CB-CB 4.35Å; N303-P394 VanDerWaalsContact CB-O 3.28Å; N303-P394 WeakPolarHBondContact CB-O 3.26Å; N303-P394 PolarHBondContact ND2-O 3.22Å; N303-A395 PolarHBondContact ND2-O 2.89Å
304	I	98.6	Very high	98.6	Very high	80 Å²	80	26 Å²	26	41%	0.41	14%	0.138	S	C	.	.	H	α-helix	trans	-97.3	-43.9	173	-66.8	178.1	0	0	0	111	K301 K302 A395 E450	K301-I304 PolarHBondContact O-N 3.44Å; K301-I304 VanDerWaalsContact O-N 3.09Å; K302-I304 PolarHBondContact O-N 3.42Å; I304-A395 HydrophobicContact CD1-CB 3.43Å; I304-A395 VanDerWaalsContact CD1-CB 3.43Å; I304-A395 HydrophobicContact CG1-CB 4.1Å; I304-E450 HydrophobicContact CD1-CG 3.85Å
305	Y	98.7	Very high	98.6	Very high	24 Å²	24	25.2 Å²	25.2	9%	0.094	13%	0.131	C	C	.	.	H	α-helix	trans	-100	-20	-166.3	-58.1	-79.1	0	0	0	114.6	T277 K301 L311 R361 E450	T277-Y305 WeakPolarHBondContact O-CD1 3.39Å; K301-Y305 HydrophobicContact CB-CD2 3.78Å; K301-Y305 HydrophobicContact CB-CE2 3.99Å; K301-Y305 HydrophobicContact CD-CE2 4.35Å; K301-Y305 WeakPolarHBondContact O-CD2 3.27Å; K301-Y305 PolarHBondContact O-N 3.14Å; Y305-L311 WeakPolarHBondContact O-CD2 3.25Å; Y305-L311 WeakPolarHBondContact O-CG 3.29Å; Y305-R361 HydrophobicContact CD1-CB 4.43Å; Y305-R361 HydrophobicContact CD1-CG 3.74Å; Y305-R361 HydrophobicContact CE1-CB 3.94Å; Y305-R361 HydrophobicContact CE1-CG 3.71Å; Y305-E450 WeakPolarHBondContact CE2-OE1 3.23Å; Y305-E450 PolarHBondContact OH-OE1 3.13Å
306	G	98.7	Very high	98.6	Very high	12 Å²	12	24.9 Å²	24.9	12%	0.124	13%	0.126	C	C	.	.			trans	88.5	169.8	-171.1	0	0	0	0	0	113.9	K302 D310	K302-G306 VanDerWaalsContact O-CA 3.23Å; K302-G306 WeakPolarHBondContact O-CA 3.46Å; K302-G306 PolarHBondContact O-N 3.23Å; G306-D310 WeakPolarHBondContact CA-OD2 3.36Å
307	N	98.8	Very high	98.6	Very high	10 Å²	10	21.1 Å²	21.1	5%	0.053	11%	0.112	C	C	.	.			trans	-79.1	179.9	167.1	-72.1	-37.8	0	0	0	110.1	S298 K302 E309 D310 L311 Y550	S298-N307 VanDerWaalsContact CB-OD1 3.3Å; S298-N307 WeakPolarHBondContact CB-OD1 3.38Å; S298-N307 PolarHBondContact OG-OD1 3.39Å; K302-N307 WeakPolarHBondContact CB-OD1 3.42Å; K302-N307 VanDerWaalsContact CD-OD1 3.29Å; K302-N307 WeakPolarHBondContact CD-OD1 3.5Å; N307-E309 HydrophobicContact CB-CG 4.49Å; N307-E309 WeakPolarHBondContact CB-OE2 3.16Å; N307-E309 PolarHBondContact O-N 3.03Å; N307-D310 PolarHBondContact N-OD2 3.11Å; N307-D310 WeakPolarHBondContact O-CB 3.46Å; N307-D310 PolarHBondContact O-N 2.91Å; N307-L311 WeakPolarHBondContact O-CG 3.44Å; N307-L311 PolarHBondContact O-N 3.44Å; N307-L311 VanDerWaalsContact O-N 3.11Å; N307-Y550 PolarHBondContact ND2-OH 3.19Å; N307-Y550 VanDerWaalsContact ND2-OH 3.13Å
308	I	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-35.6	-176.6	-167.2	63	0	0	0	112.6	L289 W292 V293 A297 D310 L311 V312 L344 I358	L289-I308 HydrophobicContact CD1-CD1 4.19Å; W292-I308 HydrophobicContact CB-CD1 3.91Å; W292-I308 HydrophobicContact CB-CG1 3.96Å; W292-I308 HydrophobicContact CE3-CD1 4.28Å; V293-I308 HydrophobicContact CG2-CG1 4.25Å; A297-I308 WeakPolarHBondContact O-CG2 3.42Å; A297-I308 PolarHBondContact O-N 3.25Å; I308-D310 PolarHBondContact O-N 3.43Å; I308-L311 PolarHBondContact O-N 2.63Å; I308-V312 HydrophobicContact CD1-CG2 3.87Å; I308-V312 HydrophobicContact CG1-CG2 3.92Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.1Å; I308-L344 HydrophobicContact CG2-CD2 4.2Å; I308-I358 HydrophobicContact CD1-CD1 4.31Å
309	E	98.8	Very high	98.6	Very high	51 Å²	51	20.8 Å²	20.8	24%	0.238	11%	0.109	C	C	.	.	H	α-helix	trans	-65.7	-24.4	176.4	63.7	-92.7	-136.5	0	0	113.6	R296 N307 L344	R296-E309 IonicContact CZ-OE1 2.94Å; R296-E309 IonicContact NH2-OE1 2.73Å; R296-E309 PolarHBondContact NH2-OE1 3.49Å; R296-E309 IonicContact NH2-OE2 3.21Å; N307-E309 HydrophobicContact CB-CG 4.49Å; N307-E309 WeakPolarHBondContact CB-OE2 3.16Å; N307-E309 PolarHBondContact O-N 3.03Å; E309-L344 HydrophobicContact CB-CD1 3.98Å
310	D	98.8	Very high	98.7	Very high	80 Å²	80	22.2 Å²	22.2	43%	0.428	12%	0.118	S	C	.	.	H	α-helix	trans	-85.9	-30.9	176.7	-59	-59.2	0	0	0	111.5	G306 N307 I308 K359	G306-D310 WeakPolarHBondContact CA-OD2 3.36Å; N307-D310 PolarHBondContact N-OD2 3.11Å; N307-D310 WeakPolarHBondContact O-CB 3.46Å; N307-D310 PolarHBondContact O-N 2.91Å; I308-D310 PolarHBondContact O-N 3.43Å; D310-K359 WeakPolarHBondContact O-CE 3.41Å; D310-K359 PolarHBondContact O-NZ 2.95Å
311	L	98.9	Very high	98.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-82.8	-36.4	-176.1	-75.9	171.3	0	0	0	112.7	H279 Y305 N307 I308 V313 I358 K359	H279-L311 HydrophobicContact CB-CD1 3.63Å; Y305-L311 WeakPolarHBondContact O-CD2 3.25Å; Y305-L311 WeakPolarHBondContact O-CG 3.29Å; N307-L311 WeakPolarHBondContact O-CG 3.44Å; N307-L311 PolarHBondContact O-N 3.44Å; N307-L311 VanDerWaalsContact O-N 3.11Å; I308-L311 PolarHBondContact O-N 2.63Å; L311-V313 PolarHBondContact O-N 3.23Å; L311-I358 HydrophobicContact CB-CD1 3.99Å; L311-I358 HydrophobicContact CB-CG1 3.78Å; L311-I358 HydrophobicContact CD1-CD1 4.41Å; L311-I358 WeakPolarHBondContact O-CA 3.43Å; L311-K359 HydrophobicContact CD2-CB 4.14Å; L311-K359 WeakPolarHBondContact O-CG 3.49Å; L311-K359 PolarHBondContact O-N 3.31Å
312	V	98.8	Very high	98.8	Very high	16 Å²	16	30 Å²	30	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	128	-178.6	171.6	0	0	0	0	111.2	V293 I308 I315 V356	V293-V312 HydrophobicContact CG2-CG2 4.07Å; I308-V312 HydrophobicContact CD1-CG2 3.87Å; I308-V312 HydrophobicContact CG1-CG2 3.92Å; I308-V312 WeakPolarHBondContact O-CB 3.48Å; I308-V312 VanDerWaalsContact O-CG2 3.26Å; I308-V312 WeakPolarHBondContact O-CG2 3.31Å; I308-V312 PolarHBondContact O-N 3.1Å; V312-I315 HydrophobicContact CG1-CD1 3.87Å; V312-I315 HydrophobicContact CG1-CG1 3.52Å; V312-V356 HydrophobicContact CG1-CG1 4.1Å; V312-V356 HydrophobicContact CG2-CG1 3.84Å
313	V	98.9	Very high	98.8	Very high	29 Å²	29	32.1 Å²	32.1	18%	0.176	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-36.9	176.8	-179.6	0	0	0	0	111.1	T254 L311 H340 T357 K359	T254-V313 HydrophobicContact CG2-CG2 4.02Å; L311-V313 PolarHBondContact O-N 3.23Å; V313-H340 PolarHBondContact O-CE1 3.39Å; V313-H340 VanDerWaalsContact O-CE1 3.3Å; V313-T357 HydrophobicContact CB-CG2 4.18Å; V313-T357 PolarHBondContact N-O 2.89Å; V313-K359 HydrophobicContact CG2-CG 3.73Å
314	H	98.9	Very high	98.8	Very high	5 Å²	5	32 Å²	32	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.4	-175.3	-173.8	-89.7	0	0	0	111.2	E325 K326 Q329 V356 T357	H314-E325 WeakPolarHBondContact CE1-CG 3.29Å; H314-E325 IonicContact CE1-OE1 3.53Å; H314-E325 PolarHBondContact CE1-OE1 3.1Å; H314-E325 IonicContact NE2-OE1 3.47Å; H314-K326 PolarHBondContact NE2-O 3.13Å; H314-Q329 HydrophobicContact CB-CG 4.35Å; H314-V356 CarbonylContact O-C 3.49Å; H314-V356 WeakPolarHBondContact O-CA 3.5Å; H314-T357 PolarHBondContact N-O 2.95Å; H314-T357 PolarHBondContact O-N 3.48Å
315	I	98.9	Very high	98.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.7	179.9	-59.3	171	0	0	0	108.7	V293 V312 M317 H340 I343 V353	V293-I315 HydrophobicContact CG1-CD1 3.88Å; V312-I315 HydrophobicContact CG1-CD1 3.87Å; V312-I315 HydrophobicContact CG1-CG1 3.52Å; I315-M317 HydrophobicContact CG2-CB 4.42Å; I315-H340 HydrophobicContact CD1-CB 4.11Å; I315-I343 HydrophobicContact CB-CD1 4.4Å; I315-I343 HydrophobicContact CD1-CB 4.4Å; I315-I343 HydrophobicContact CD1-CG2 4.34Å; I315-I343 HydrophobicContact CG2-CD1 3.97Å; I315-I343 HydrophobicContact CG2-CG2 4.33Å; I315-V353 HydrophobicContact CG2-CG1 4.04Å; I315-V353 HydrophobicContact CG2-CG2 4.32Å
316	K	98.9	Very high	98.8	Very high	32 Å²	32	33.3 Å²	33.3	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.8	162.1	-171.2	179.2	-71.8	160.7	0	109.4	H194 V323 E325 T354 E355	H194-K316 VanDerWaalsContact CE1-CD 3.49Å; H194-K316 WeakPolarHBondContact CE1-CD 3.49Å; K316-V323 HydrophobicContact CD-CG1 4.38Å; K316-V323 HydrophobicContact CG-CG1 3.72Å; K316-E325 WeakPolarHBondContact CE-OE1 3.45Å; K316-E325 WeakPolarHBondContact CE-OE2 3.3Å; K316-E325 IonicContact NZ-OE1 2.96Å; K316-T354 PolarHBondContact O-N 3.14Å; K316-T354 PolarHBondContact O-OG1 3.31Å; K316-E355 HydrophobicContact CB-CB 4.13Å; K316-E355 WeakPolarHBondContact CE-OE2 3.39Å; K316-E355 PolarHBondContact N-O 2.65Å; K316-E355 IonicContact NZ-OE1 3.25Å; K316-E355 IonicContact NZ-OE2 3.69Å; K316-E355 PolarHBondContact NZ-OE2 3.41Å; K316-E355 PolarHBondContact O-N 2.96Å
317	M	98.9	Very high	98.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.6	-178.2	-176.4	178.9	-158.4	0	0	111.2	I315 T319 V323 I324 I343 L350 G351 V352 V353	I315-M317 HydrophobicContact CG2-CB 4.42Å; M317-T319 HydrophobicContact CG-CG2 4.27Å; M317-T319 HydrophobicContact SD-CG2 4.44Å; M317-V323 CarbonylContact O-C 3.5Å; M317-V323 WeakPolarHBondContact O-CA 3.45Å; M317-I324 HydrophobicContact CB-CB 4.45Å; M317-I324 PolarHBondContact N-O 2.85Å; M317-I324 PolarHBondContact O-N 3.17Å; M317-I343 HydrophobicContact CB-CD1 4.15Å; M317-I343 HydrophobicContact CE-CG2 4.19Å; M317-I343 HydrophobicContact SD-CB 4.18Å; M317-I343 HydrophobicContact SD-CD1 3.96Å; M317-I343 HydrophobicContact SD-CG1 3.71Å; M317-I343 HydrophobicContact SD-CG2 3.53Å; M317-I343 VanDerWaalsContact SD-CG2 3.53Å; M317-L350 HydrophobicContact CE-CB 3.82Å; M317-G351 VanDerWaalsContact CE-CA 3.48Å; M317-G351 WeakPolarHBondContact CE-O 3.37Å; M317-V352 CarbonylContact C-O 3.51Å; M317-V352 VanDerWaalsContact CA-O 3.3Å; M317-V352 WeakPolarHBondContact CA-O 3.42Å; M317-V352 WeakPolarHBondContact CG-O 3.19Å; M317-V353 HydrophobicContact CE-CG2 4.5Å; M317-V353 HydrophobicContact CG-CG2 4.46Å
318	V	99	Very high	98.7	Very high	4 Å²	4	41 Å²	41	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.9	173	-179	0	0	0	0	109	H194 V197 V198 V201 V323 G351 V352 T354	H194-V318 WeakPolarHBondContact CE1-CG2 3.33Å; V197-V318 HydrophobicContact CB-CG2 4.35Å; V197-V318 HydrophobicContact CG1-CB 3.89Å; V197-V318 HydrophobicContact CG1-CG1 4.25Å; V197-V318 HydrophobicContact CG1-CG2 3.94Å; V198-V318 HydrophobicContact CG2-CG1 4.25Å; V198-V318 HydrophobicContact CG2-CG2 3.78Å; V201-V318 HydrophobicContact CB-CG1 3.97Å; V201-V318 HydrophobicContact CG1-CG1 4.25Å; V201-V318 HydrophobicContact CG2-CG1 3.82Å; V318-V323 HydrophobicContact CG2-CG2 4.48Å; V318-G351 CarbonylContact O-C 2.88Å; V318-G351 WeakPolarHBondContact O-CA 3.31Å; V318-V352 PolarHBondContact N-O 3.03Å; V318-V352 PolarHBondContact O-N 3.48Å; V318-T354 HydrophobicContact CG2-CG2 3.76Å
319	T	98.9	Very high	98.7	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	165.6	173.7	74.2	0	0	0	0	109.9	M317 R321 G322 I324 L350 V625	M317-T319 HydrophobicContact CG-CG2 4.27Å; M317-T319 HydrophobicContact SD-CG2 4.44Å; T319-R321 PolarHBondContact O-N 3.48Å; T319-R321 VanDerWaalsContact O-N 3.14Å; T319-R321 PolarHBondContact OG1-N 2.95Å; T319-G322 PolarHBondContact N-O 3.39Å; T319-G322 PolarHBondContact O-N 3.45Å; T319-G322 PolarHBondContact OG1-N 3.27Å; T319-G322 PolarHBondContact OG1-O 3.03Å; T319-I324 HydrophobicContact CG2-CD1 3.69Å; T319-I324 HydrophobicContact CG2-CG1 4.07Å; T319-L350 WeakPolarHBondContact CB-O 3.42Å; T319-L350 WeakPolarHBondContact CG2-O 3.32Å; T319-V625 HydrophobicContact CG2-CB 4.37Å
320	P	98.9	Very high	98.7	Very high	33 Å²	33	44.2 Å²	44.2	21%	0.214	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.2	173.5	-31.2	42	0	0	0	114.5	V201 V625 D626 I630 F631	V201-P320 HydrophobicContact CG1-CG 4.37Å; P320-V625 WeakPolarHBondContact CD-O 3.36Å; P320-D626 HydrophobicContact CG-CB 3.9Å; P320-D626 WeakPolarHBondContact CG-OD1 3.47Å; P320-I630 HydrophobicContact CG-CB 3.99Å; P320-I630 HydrophobicContact CG-CG1 4.23Å; P320-I630 HydrophobicContact CG-CG2 4.47Å; P320-F631 HydrophobicContact CG-CD2 3.86Å; P320-F631 HydrophobicContact CG-CE2 3.81Å
321	R	98.7	Very high	98.6	Very high	141 Å²	141	47 Å²	47	53%	0.532	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.1	174.9	-75.8	-156.4	-178.2	-110.5	2	114.9	T319 Y624 V625	T319-R321 PolarHBondContact O-N 3.48Å; T319-R321 VanDerWaalsContact O-N 3.14Å; T319-R321 PolarHBondContact OG1-N 2.95Å; R321-Y624 VanDerWaalsContact CD-O 3.24Å; R321-Y624 WeakPolarHBondContact CD-O 3.38Å; R321-Y624 PolarHBondContact NE-O 3.01Å; R321-V625 PolarHBondContact N-O 2.64Å
322	G	98.7	Very high	98.6	Very high	34 Å²	34	56.1 Å²	56.1	35%	0.351	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.7	-166.2	-176.2	0	0	0	0	0	113.1	T319	T319-G322 PolarHBondContact N-O 3.39Å; T319-G322 PolarHBondContact O-N 3.45Å; T319-G322 PolarHBondContact OG1-N 3.27Å; T319-G322 PolarHBondContact OG1-O 3.03Å
323	V	98.9	Very high	98.5	Very high	67 Å²	67	58.5 Å²	58.5	41%	0.406	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.4	-174.3	-178.2	0	0	0	0	110.9	V198 K316 M317 V318 E325	V198-V323 HydrophobicContact CG2-CG2 4.49Å; K316-V323 HydrophobicContact CD-CG1 4.38Å; K316-V323 HydrophobicContact CG-CG1 3.72Å; M317-V323 CarbonylContact O-C 3.5Å; M317-V323 WeakPolarHBondContact O-CA 3.45Å; V318-V323 HydrophobicContact CG2-CG2 4.48Å; V323-E325 HydrophobicContact CG1-CB 4.25Å
324	I	98.8	Very high	98.5	Very high	43 Å²	43	61.6 Å²	61.6	22%	0.221	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.8	167.9	-56.7	175.3	0	0	0	108	M317 T319 I339 I343 V625	M317-I324 HydrophobicContact CB-CB 4.45Å; M317-I324 PolarHBondContact N-O 2.85Å; M317-I324 PolarHBondContact O-N 3.17Å; T319-I324 HydrophobicContact CG2-CD1 3.69Å; T319-I324 HydrophobicContact CG2-CG1 4.07Å; I324-I339 HydrophobicContact CG2-CD1 4Å; I324-I343 HydrophobicContact CG2-CD1 4.05Å; I324-V625 HydrophobicContact CD1-CG1 4.43Å
325	E	98.7	Very high	98.4	Very high	94 Å²	94	66.3 Å²	66.3	44%	0.439	37%	0.371	S	S	.	.			trans	-155.8	134.8	179.4	-169.2	176.1	-164.9	0	0	110.3	H314 K316 V323	H314-E325 WeakPolarHBondContact CE1-CG 3.29Å; H314-E325 IonicContact CE1-OE1 3.53Å; H314-E325 PolarHBondContact CE1-OE1 3.1Å; H314-E325 IonicContact NE2-OE1 3.47Å; K316-E325 WeakPolarHBondContact CE-OE1 3.45Å; K316-E325 WeakPolarHBondContact CE-OE2 3.3Å; K316-E325 IonicContact NZ-OE1 2.96Å; V323-E325 HydrophobicContact CG1-CB 4.25Å
326	K	98.6	Very high	98.4	Very high	37 Å²	37	69 Å²	69	16%	0.161	40%	0.399	C	S	.	.			trans	-79	146.7	170.9	-68.8	-176.5	-175	165.2	0	110.6	H314 C328 M333 D338 I339 H340	H314-K326 PolarHBondContact NE2-O 3.13Å; K326-C328 VanDerWaalsContact C-N 3.31Å; K326-C328 PolarHBondContact O-N 3.25Å; K326-M333 HydrophobicContact CD-SD 4.24Å; K326-D338 WeakPolarHBondContact CE-OD1 3.46Å; K326-D338 IonicContact NZ-OD1 3.66Å; K326-D338 PolarHBondContact NZ-OD1 2.71Å; K326-I339 HydrophobicContact CG-CD1 4.04Å; K326-I339 HydrophobicContact CG-CG1 4.34Å; K326-H340 WeakPolarHBondContact CD-NE2 3.26Å; K326-H340 WeakPolarHBondContact CE-NE2 3.42Å; K326-H340 PolarHBondContact NZ-CE1 3.38Å; K326-H340 VanDerWaalsContact NZ-CE1 3.32Å; K326-H340 PolarHBondContact NZ-ND1 3.24Å
327	S	97.9	Very high	98.3	Very high	127 Å²	127	72.5 Å²	72.5	89%	0.888	43%	0.425	S	S	*	.	S	Bend	trans	-74.4	-14.2	-177.5	61.7	0	0	0	0	115.3
328	C	97.6	Very high	98.3	Very high	58 Å²	58	75.4 Å²	75.4	39%	0.392	44%	0.44	S	S	.	.			trans	-144.7	161.3	-178.2	68.9	0	0	0	0	112	K326	K326-C328 VanDerWaalsContact C-N 3.31Å; K326-C328 PolarHBondContact O-N 3.25Å
329	Q	98.1	Very high	98.3	Very high	85 Å²	85	78.4 Å²	78.4	40%	0.397	46%	0.456	S	S	.	.			trans	-107.6	36	179	-56.4	-176.5	25.4	0	0	111.8	H314	H314-Q329 HydrophobicContact CB-CG 4.35Å
330	G	98.1	Very high	98.3	Very high	32 Å²	32	78.7 Å²	78.7	33%	0.33	46%	0.457	S	S	.	.			trans	-60.1	136.6	175.3	0	0	0	0	0	110.6	R332	G330-R332 PolarHBondContact O-N 3.07Å; G330-R332 VanDerWaalsContact O-N 3.12Å
331	P	97.8	Very high	98.3	Very high	138 Å²	138	81.5 Å²	81.5	90%	0.896	47%	0.467	S	S	*	.	S	Bend	trans	-66.7	-20.1	-169.9	26.1	-35.8	0	0	0	113.8
332	R	98.2	Very high	98.3	Very high	196 Å²	196	79.6 Å²	79.6	74%	0.74	46%	0.462	S	S	*	.	S	Bend	trans	-153.6	137.9	173.3	-176.2	-91.8	176.6	173.8	-1.1	109.3	G330	G330-R332 PolarHBondContact O-N 3.07Å; G330-R332 VanDerWaalsContact O-N 3.12Å
333	M	97.3	Very high	98.3	Very high	65 Å²	65	78 Å²	78	32%	0.32	45%	0.446	S	S	.	.			trans	-127.9	157.1	179.7	-64.7	175.9	71.1	0	0	111.2	K326 T335	K326-M333 HydrophobicContact CD-SD 4.24Å; M333-T335 HydrophobicContact CB-CG2 4.5Å; M333-T335 HydrophobicContact CE-CG2 3.81Å
334	S	98.1	Very high	98.3	Very high	94 Å²	94	75.4 Å²	75.4	66%	0.657	43%	0.43	S	S	*	.			trans	-133.6	62	173.9	-174.3	0	0	0	0	109.3
335	T	97.6	Very high	98.3	Very high	105 Å²	105	74.3 Å²	74.3	64%	0.644	43%	0.429	S	S	*	.	S	Bend	trans	-115.1	45.2	-173.3	55.8	0	0	0	0	111.2	M333	M333-T335 HydrophobicContact CB-CG2 4.5Å; M333-T335 HydrophobicContact CE-CG2 3.81Å
336	G	98.3	Very high	98.3	Very high	57 Å²	57	70 Å²	70	59%	0.588	41%	0.409	S	S	*	.	S	Bend	trans	86.3	-166.2	-171.4	0	0	0	0	0	113.2
337	P	98.4	Very high	98.3	Very high	105 Å²	105	68.9 Å²	68.9	68%	0.682	40%	0.404	S	S	*	.	S	Bend	trans	-55	138.5	175.2	-25.5	35.2	0	0	0	112	I339 F342	P337-I339 PolarHBondContact O-N 3.18Å; P337-I339 VanDerWaalsContact O-N 3.13Å; P337-F342 HydrophobicContact CB-CE1 4.1Å; P337-F342 HydrophobicContact CB-CZ 4.23Å
338	D	98.6	Very high	98.4	Very high	62 Å²	62	63.3 Å²	63.3	33%	0.332	37%	0.367	S	S	.	.			trans	-75.1	106	-179.5	-179.2	12.6	0	0	0	111.3	K326 H340 H341	K326-D338 WeakPolarHBondContact CE-OD1 3.46Å; K326-D338 IonicContact NZ-OD1 3.66Å; K326-D338 PolarHBondContact NZ-OD1 2.71Å; D338-H340 PolarHBondContact O-N 3.3Å; D338-H340 VanDerWaalsContact O-N 3.16Å; D338-H340 WeakPolarHBondContact OD1-CB 3.29Å; D338-H340 IonicContact OD1-CG 3.75Å; D338-H340 PolarHBondContact OD1-N 3.37Å; D338-H341 WeakPolarHBondContact O-CB 3.4Å; D338-H341 PolarHBondContact O-N 3.21Å; D338-H341 IonicContact OD2-CE1 2.79Å; D338-H341 IonicContact OD2-ND1 3.59Å; D338-H341 PolarHBondContact OD2-ND1 3.47Å
339	I	98.4	Very high	98.4	Very high	68 Å²	68	61 Å²	61	35%	0.349	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.9	179.3	64.4	171.9	0	0	0	113.9	I324 K326 P337 H341 F342	I324-I339 HydrophobicContact CG2-CD1 4Å; K326-I339 HydrophobicContact CG-CD1 4.04Å; K326-I339 HydrophobicContact CG-CG1 4.34Å; P337-I339 PolarHBondContact O-N 3.18Å; P337-I339 VanDerWaalsContact O-N 3.13Å; I339-H341 PolarHBondContact O-N 2.74Å; I339-F342 WeakPolarHBondContact O-CB 3.47Å; I339-F342 PolarHBondContact O-N 3.39Å; I339-F342 VanDerWaalsContact O-N 3.09Å
340	H	98.8	Very high	98.5	Very high	11 Å²	11	57.6 Å²	57.6	5%	0.051	34%	0.336	C	S	.	.	H	α-helix	trans	-62.8	-32.7	172.9	-67.7	170.2	0	0	0	111.1	V313 I315 K326 D338 F342 I343 L344	V313-H340 PolarHBondContact O-CE1 3.39Å; V313-H340 VanDerWaalsContact O-CE1 3.3Å; I315-H340 HydrophobicContact CD1-CB 4.11Å; K326-H340 WeakPolarHBondContact CD-NE2 3.26Å; K326-H340 WeakPolarHBondContact CE-NE2 3.42Å; K326-H340 PolarHBondContact NZ-CE1 3.38Å; K326-H340 VanDerWaalsContact NZ-CE1 3.32Å; K326-H340 PolarHBondContact NZ-ND1 3.24Å; D338-H340 PolarHBondContact O-N 3.3Å; D338-H340 VanDerWaalsContact O-N 3.16Å; D338-H340 WeakPolarHBondContact OD1-CB 3.29Å; D338-H340 IonicContact OD1-CG 3.75Å; D338-H340 PolarHBondContact OD1-N 3.37Å; H340-F342 PolarHBondContact O-N 2.98Å; H340-I343 PolarHBondContact O-N 2.84Å; H340-I343 VanDerWaalsContact O-N 3.1Å; H340-L344 WeakPolarHBondContact O-CG 3.4Å; H340-L344 PolarHBondContact O-N 3.01Å
341	H	98.8	Very high	98.5	Very high	93 Å²	93	56.2 Å²	56.2	43%	0.431	32%	0.321	S	S	.	.	H	α-helix	trans	-73.8	-10.1	177.1	-76.9	76.8	0	0	0	113.7	D338 I339	D338-H341 WeakPolarHBondContact O-CB 3.4Å; D338-H341 PolarHBondContact O-N 3.21Å; D338-H341 IonicContact OD2-CE1 2.79Å; D338-H341 IonicContact OD2-ND1 3.59Å; D338-H341 PolarHBondContact OD2-ND1 3.47Å; I339-H341 PolarHBondContact O-N 2.74Å
342	F	98.8	Very high	98.6	Very high	100 Å²	100	49.8 Å²	49.8	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-82.2	-24.1	171	-68.1	39	0	0	0	110.2	P337 I339 H340 L350 V621	P337-F342 HydrophobicContact CB-CE1 4.1Å; P337-F342 HydrophobicContact CB-CZ 4.23Å; I339-F342 WeakPolarHBondContact O-CB 3.47Å; I339-F342 PolarHBondContact O-N 3.39Å; I339-F342 VanDerWaalsContact O-N 3.09Å; H340-F342 PolarHBondContact O-N 2.98Å; F342-L350 VanDerWaalsContact O-CD1 3.28Å; F342-L350 WeakPolarHBondContact O-CD1 3.45Å; F342-V621 HydrophobicContact CD2-CG1 4.13Å; F342-V621 HydrophobicContact CD2-CG2 3.66Å; F342-V621 HydrophobicContact CE2-CG2 3.81Å
343	I	98.9	Very high	98.6	Very high	2 Å²	2	41 Å²	41	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-90.9	-42	178.1	-55.7	172	0	0	0	110.8	V293 I315 M317 I324 H340 G345 S346 V353	V293-I343 HydrophobicContact CG1-CG2 4.05Å; I315-I343 HydrophobicContact CB-CD1 4.4Å; I315-I343 HydrophobicContact CD1-CB 4.4Å; I315-I343 HydrophobicContact CD1-CG2 4.34Å; I315-I343 HydrophobicContact CG2-CD1 3.97Å; I315-I343 HydrophobicContact CG2-CG2 4.33Å; M317-I343 HydrophobicContact CB-CD1 4.15Å; M317-I343 HydrophobicContact CE-CG2 4.19Å; M317-I343 HydrophobicContact SD-CB 4.18Å; M317-I343 HydrophobicContact SD-CD1 3.96Å; M317-I343 HydrophobicContact SD-CG1 3.71Å; M317-I343 HydrophobicContact SD-CG2 3.53Å; M317-I343 VanDerWaalsContact SD-CG2 3.53Å; I324-I343 HydrophobicContact CG2-CD1 4.05Å; H340-I343 PolarHBondContact O-N 2.84Å; H340-I343 VanDerWaalsContact O-N 3.1Å; I343-G345 PolarHBondContact O-N 2.85Å; I343-S346 WeakPolarHBondContact O-CB 3.37Å; I343-S346 PolarHBondContact O-N 3.11Å; I343-S346 PolarHBondContact O-OG 2.82Å; I343-S346 VanDerWaalsContact O-OG 3.05Å; I343-V353 HydrophobicContact CG2-CG2 3.75Å
344	L	98.8	Very high	98.7	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.063	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	117.5	178.8	-75.3	162.6	0	0	0	110.6	V293 R296 I308 E309 H340	V293-L344 HydrophobicContact CB-CD2 4.42Å; V293-L344 HydrophobicContact CG1-CD2 3.94Å; V293-L344 HydrophobicContact CG1-CG 4.49Å; V293-L344 WeakPolarHBondContact O-CA 3.48Å; R296-L344 HydrophobicContact CG-CB 4.33Å; I308-L344 HydrophobicContact CG2-CD2 4.2Å; E309-L344 HydrophobicContact CB-CD1 3.98Å; H340-L344 WeakPolarHBondContact O-CG 3.4Å; H340-L344 PolarHBondContact O-N 3.01Å
345	G	98.8	Very high	98.7	Very high	19 Å²	19	34.4 Å²	34.4	20%	0.196	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	13.9	-176.2	0	0	0	0	0	114.3	V293 A294 I343 E347	V293-G345 PolarHBondContact O-N 3.32Å; A294-G345 CarbonylContact O-C 3.52Å; A294-G345 WeakPolarHBondContact O-CA 3.47Å; A294-G345 PolarHBondContact O-N 2.96Å; I343-G345 PolarHBondContact O-N 2.85Å; G345-E347 PolarHBondContact O-N 3.48Å
346	S	98.8	Very high	98.8	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	18%	0.175	C	C	.	.			trans	-75.7	-8.7	179.2	76.3	0	0	0	0	114.1	A294 I343 G348 T349	A294-S346 PolarHBondContact O-N 3.25Å; I343-S346 WeakPolarHBondContact O-CB 3.37Å; I343-S346 PolarHBondContact O-N 3.11Å; I343-S346 PolarHBondContact O-OG 2.82Å; I343-S346 VanDerWaalsContact O-OG 3.05Å; S346-G348 PolarHBondContact O-N 2.84Å; S346-T349 WeakPolarHBondContact O-CB 3.08Å; S346-T349 WeakPolarHBondContact O-CG2 3.39Å; S346-T349 PolarHBondContact O-N 2.81Å; S346-T349 PolarHBondContact O-OG1 2.83Å
347	E	98.8	Very high	98.8	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	40.3	173.8	-61.1	-165.5	-133.6	0	0	114.7	A294 G345 T349 V598 G599 N633 N635 L636	A294-E347 WeakPolarHBondContact O-CA 3.2Å; A294-E347 WeakPolarHBondContact O-CG 3.5Å; A294-E347 PolarHBondContact O-N 3.03Å; G345-E347 PolarHBondContact O-N 3.48Å; E347-T349 VanDerWaalsContact C-N 3.26Å; E347-T349 PolarHBondContact O-N 3.38Å; E347-V598 PolarHBondContact OE1-N 2.87Å; E347-G599 VanDerWaalsContact CD-N 3.33Å; E347-G599 PolarHBondContact OE1-N 3.22Å; E347-G599 WeakPolarHBondContact OE2-CA 3.34Å; E347-G599 PolarHBondContact OE2-N 2.93Å; E347-N633 PolarHBondContact O-ND2 3.16Å; E347-N635 HydrophobicContact CB-CB 4.05Å; E347-N635 PolarHBondContact O-ND2 3.43Å; E347-L636 HydrophobicContact CG-CD2 4.38Å; E347-L636 WeakPolarHBondContact OE1-CD2 3.26Å
348	G	98.7	Very high	98.8	Very high	10 Å²	10	21.7 Å²	21.7	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	10.1	178.1	0	0	0	0	0	115.5	S346 F631	S346-G348 PolarHBondContact O-N 2.84Å; G348-F631 WeakPolarHBondContact O-CB 3.21Å
349	T	98.9	Very high	98.8	Very high	10 Å²	10	23.5 Å²	23.5	6%	0.061	12%	0.12	C	C	.	.	S	Bend	trans	-82.1	-17.2	-176.8	61.8	0	0	0	0	114.3	S346 E347 K622 F631 N633 N635	S346-T349 WeakPolarHBondContact O-CB 3.08Å; S346-T349 WeakPolarHBondContact O-CG2 3.39Å; S346-T349 PolarHBondContact O-N 2.81Å; S346-T349 PolarHBondContact O-OG1 2.83Å; E347-T349 VanDerWaalsContact C-N 3.26Å; E347-T349 PolarHBondContact O-N 3.38Å; T349-K622 VanDerWaalsContact O-CD 3.28Å; T349-K622 WeakPolarHBondContact O-CD 3.38Å; T349-K622 PolarHBondContact O-NZ 3.34Å; T349-F631 WeakPolarHBondContact O-CB 3.38Å; T349-N633 WeakPolarHBondContact CG2-OD1 3.47Å; T349-N635 HydrophobicContact CG2-CB 3.8Å; T349-N635 WeakPolarHBondContact CG2-O 3.38Å
350	L	98.9	Very high	98.9	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.068	10%	0.103	C	C	.	.	S	Bend	trans	-108.4	-20.8	-171.3	-58	-176.9	0	0	0	113.8	M317 T319 F342 V621 K622 V625	M317-L350 HydrophobicContact CE-CB 3.82Å; T319-L350 WeakPolarHBondContact CB-O 3.42Å; T319-L350 WeakPolarHBondContact CG2-O 3.32Å; F342-L350 VanDerWaalsContact O-CD1 3.28Å; F342-L350 WeakPolarHBondContact O-CD1 3.45Å; L350-V621 HydrophobicContact CD1-CG1 4.15Å; L350-V621 HydrophobicContact CD2-CG1 4.41Å; L350-K622 HydrophobicContact CD2-CB 4Å; L350-K622 HydrophobicContact CD2-CD 4.09Å; L350-V625 HydrophobicContact CB-CG2 3.9Å; L350-V625 HydrophobicContact CD2-CG2 3.67Å; L350-V625 HydrophobicContact CG-CG2 4.25Å
351	G	98.9	Very high	98.9	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	12%	0.122	C	C	.	.			trans	157.3	-171.2	-163.4	0	0	0	0	0	113.5	M317 V318 F631	M317-G351 VanDerWaalsContact CE-CA 3.48Å; M317-G351 WeakPolarHBondContact CE-O 3.37Å; V318-G351 CarbonylContact O-C 2.88Å; V318-G351 WeakPolarHBondContact O-CA 3.31Å; G351-F631 VanDerWaalsContact C-CE1 3.48Å; G351-F631 VanDerWaalsContact CA-CZ 3.46Å
352	V	98.9	Very high	98.9	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.3	176.5	-174.9	0	0	0	0	109.6	V197 P213 L237 T239 M317 V318 T354 F631	V197-V352 HydrophobicContact CG1-CB 3.65Å; V197-V352 HydrophobicContact CG1-CG1 3.88Å; V197-V352 HydrophobicContact CG1-CG2 3.83Å; V197-V352 HydrophobicContact CG2-CG1 4.48Å; P213-V352 HydrophobicContact CG-CG2 4.12Å; L237-V352 HydrophobicContact CD1-CG2 3.78Å; L237-V352 HydrophobicContact CD2-CG1 4.1Å; L237-V352 HydrophobicContact CD2-CG2 4.08Å; T239-V352 HydrophobicContact CG2-CG1 4.17Å; M317-V352 CarbonylContact C-O 3.51Å; M317-V352 VanDerWaalsContact CA-O 3.3Å; M317-V352 WeakPolarHBondContact CA-O 3.42Å; M317-V352 WeakPolarHBondContact CG-O 3.19Å; V318-V352 PolarHBondContact N-O 3.03Å; V318-V352 PolarHBondContact O-N 3.48Å; V352-T354 HydrophobicContact CG1-CG2 4.19Å; V352-T354 PolarHBondContact O-N 3.13Å; V352-F631 HydrophobicContact CG2-CE1 3.56Å; V352-F631 HydrophobicContact CG2-CZ 3.83Å
353	V	98.9	Very high	98.8	Very high	12 Å²	12	23.2 Å²	23.2	7%	0.073	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	121.2	164.3	175.4	0	0	0	0	107.5	S259 V293 I315 M317 I343 V356	S259-V353 WeakPolarHBondContact CB-O 3.5Å; S259-V353 PolarHBondContact OG-O 2.65Å; V293-V353 HydrophobicContact CG1-CG2 3.95Å; I315-V353 HydrophobicContact CG2-CG1 4.04Å; I315-V353 HydrophobicContact CG2-CG2 4.32Å; M317-V353 HydrophobicContact CE-CG2 4.5Å; M317-V353 HydrophobicContact CG-CG2 4.46Å; I343-V353 HydrophobicContact CG2-CG2 3.75Å; V353-V356 HydrophobicContact CG1-CG2 3.51Å
354	T	98.9	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-37.9	-176.6	58.6	0	0	0	0	113.2	H194 V197 M242 S259 K316 V318 V352	H194-T354 PolarHBondContact ND1-OG1 2.99Å; V197-T354 HydrophobicContact CB-CG2 3.89Å; V197-T354 HydrophobicContact CG1-CG2 3.85Å; V197-T354 HydrophobicContact CG2-CG2 3.92Å; M242-T354 HydrophobicContact CE-CG2 4.24Å; M242-T354 WeakPolarHBondContact CE-O 3.36Å; S259-T354 WeakPolarHBondContact CB-O 3.36Å; S259-T354 PolarHBondContact N-O 3.49Å; S259-T354 PolarHBondContact OG-O 3.17Å; K316-T354 PolarHBondContact O-N 3.14Å; K316-T354 PolarHBondContact O-OG1 3.31Å; V318-T354 HydrophobicContact CG2-CG2 3.76Å; V352-T354 HydrophobicContact CG1-CG2 4.19Å; V352-T354 PolarHBondContact O-N 3.13Å
355	E	98.9	Very high	98.7	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.098	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.9	-177.6	-59.9	165.6	-169.8	0	0	109.4	H194 L246 H256 V257 K316	H194-E355 WeakPolarHBondContact CB-OE1 3.41Å; L246-E355 HydrophobicContact CD1-CG 3.98Å; H256-E355 IonicContact CE1-OE2 2.89Å; H256-E355 IonicContact NE2-OE2 3.58Å; H256-E355 PolarHBondContact NE2-OE2 3.3Å; H256-E355 VanDerWaalsContact NE2-OE2 3.16Å; V257-E355 CarbonylContact O-C 3.51Å; V257-E355 WeakPolarHBondContact O-CA 3.22Å; K316-E355 HydrophobicContact CB-CB 4.13Å; K316-E355 WeakPolarHBondContact CE-OE2 3.39Å; K316-E355 PolarHBondContact N-O 2.65Å; K316-E355 IonicContact NZ-OE1 3.25Å; K316-E355 IonicContact NZ-OE2 3.69Å; K316-E355 PolarHBondContact NZ-OE2 3.41Å; K316-E355 PolarHBondContact O-N 2.96Å
356	V	98.9	Very high	98.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.1	-179.4	179.9	0	0	0	0	109.3	H256 V257 L289 V293 V312 H314 V353	H256-V356 WeakPolarHBondContact CA-O 3.17Å; V257-V356 PolarHBondContact N-O 3.34Å; V257-V356 PolarHBondContact O-N 3.25Å; L289-V356 HydrophobicContact CD1-CG1 4.35Å; L289-V356 HydrophobicContact CD2-CB 3.85Å; L289-V356 HydrophobicContact CD2-CG1 4.34Å; L289-V356 HydrophobicContact CD2-CG2 4.39Å; L289-V356 HydrophobicContact CG-CB 4.13Å; L289-V356 HydrophobicContact CG-CG1 4.44Å; L289-V356 HydrophobicContact CG-CG2 4.22Å; V293-V356 HydrophobicContact CG2-CG2 4.09Å; V312-V356 HydrophobicContact CG1-CG1 4.1Å; V312-V356 HydrophobicContact CG2-CG1 3.84Å; H314-V356 CarbonylContact O-C 3.49Å; H314-V356 WeakPolarHBondContact O-CA 3.5Å; V353-V356 HydrophobicContact CG1-CG2 3.51Å
357	T	98.9	Very high	98.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122.2	162.4	-54.5	0	0	0	0	108.8	W247 T254 A255 H256 V313 H314	W247-T357 HydrophobicContact CH2-CG2 3.91Å; T254-T357 HydrophobicContact CG2-CG2 4.08Å; A255-T357 CarbonylContact O-C 3.6Å; A255-T357 VanDerWaalsContact O-CA 3.31Å; A255-T357 WeakPolarHBondContact O-CA 3.31Å; H256-T357 PolarHBondContact ND1-OG1 2.87Å; V313-T357 HydrophobicContact CB-CG2 4.18Å; V313-T357 PolarHBondContact N-O 2.89Å; H314-T357 PolarHBondContact N-O 2.95Å; H314-T357 PolarHBondContact O-N 3.48Å
358	I	98.9	Very high	98.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145	-179.1	-165.4	167.9	0	0	0	110.6	T254 A255 V257 T277 L289 I308 L311	T254-I358 CarbonylContact C-O 3.57Å; T254-I358 VanDerWaalsContact CA-O 3.26Å; T254-I358 WeakPolarHBondContact CA-O 3.39Å; A255-I358 PolarHBondContact N-O 3.43Å; A255-I358 PolarHBondContact O-N 2.87Å; V257-I358 HydrophobicContact CG2-CG2 4.49Å; T277-I358 HydrophobicContact CG2-CD1 4.15Å; T277-I358 HydrophobicContact CG2-CG2 4.16Å; L289-I358 HydrophobicContact CD1-CD1 4.01Å; I308-I358 HydrophobicContact CD1-CD1 4.31Å; L311-I358 HydrophobicContact CB-CD1 3.99Å; L311-I358 HydrophobicContact CB-CG1 3.78Å; L311-I358 HydrophobicContact CD1-CD1 4.41Å; L311-I358 WeakPolarHBondContact O-CA 3.43Å
359	K	98.9	Very high	98.6	Very high	100 Å²	100	38.5 Å²	38.5	44%	0.435	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.7	170.8	-68.9	174	-174.5	163.2	0	110.4	D310 L311 V313	D310-K359 WeakPolarHBondContact O-CE 3.41Å; D310-K359 PolarHBondContact O-NZ 2.95Å; L311-K359 HydrophobicContact CD2-CB 4.14Å; L311-K359 WeakPolarHBondContact O-CG 3.49Å; L311-K359 PolarHBondContact O-N 3.31Å; V313-K359 HydrophobicContact CG2-CG 3.73Å
360	I	98.9	Very high	98.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.179	C	C	.	.			trans	-123.7	158.7	171.2	62.5	176.2	0	0	0	110	I248 L253 A255 L270 Y275 C276 T277	I248-I360 HydrophobicContact CG2-CD1 3.63Å; L253-I360 HydrophobicContact CB-CG1 4.43Å; L253-I360 WeakPolarHBondContact O-CG1 3.38Å; L253-I360 PolarHBondContact O-N 3.1Å; A255-I360 HydrophobicContact CB-CG2 3.72Å; L270-I360 HydrophobicContact CD1-CG2 3.83Å; L270-I360 HydrophobicContact CD2-CG2 4.06Å; Y275-I360 HydrophobicContact CD1-CD1 3.87Å; Y275-I360 HydrophobicContact CD1-CG1 4.22Å; Y275-I360 HydrophobicContact CD2-CD1 4.13Å; Y275-I360 HydrophobicContact CE1-CD1 4.43Å; Y275-I360 HydrophobicContact CG-CD1 3.72Å; Y275-I360 HydrophobicContact CG-CG1 4.41Å; C276-I360 CarbonylContact O-C 3.54Å; C276-I360 VanDerWaalsContact O-CA 3.3Å; C276-I360 WeakPolarHBondContact O-CA 3.12Å; T277-I360 HydrophobicContact CG2-CG2 4.42Å
361	R	98.8	Very high	98.3	Very high	114 Å²	114	37.4 Å²	37.4	43%	0.43	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.8	178	-58.3	-61.1	-60.9	116.9	3.2	109.2	Y275 C276 Y305	Y275-R361 CarbonylContact C-O 3.56Å; Y275-R361 WeakPolarHBondContact CA-O 3.2Å; C276-R361 PolarHBondContact N-O 3.2Å; C276-R361 PolarHBondContact O-N 3.39Å; Y305-R361 HydrophobicContact CD1-CB 4.43Å; Y305-R361 HydrophobicContact CD1-CG 3.74Å; Y305-R361 HydrophobicContact CE1-CB 3.94Å; Y305-R361 HydrophobicContact CE1-CG 3.71Å
362	P	98.6	Very high	98.2	Very high	66 Å²	66	37.4 Å²	37.4	43%	0.429	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	145.2	166.4	-24.4	34.2	0	0	0	110.4	G274	G274-P362 WeakPolarHBondContact O-CA 3.41Å
363	M	98.1	Very high	98	Very high	84 Å²	84	37.8 Å²	37.8	41%	0.414	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-53.9	136	174.1	-80.4	-63.6	-77.7	0	0	111.1	N271 G274 C276 E365	N271-M363 PolarHBondContact OD1-SD 3.24Å; G274-M363 PolarHBondContact O-N 2.96Å; C276-M363 HydrophobicContact CB-SD 3.62Å; M363-E365 PolarHBondContact O-N 3.35Å
364	P	97.8	Very high	97.9	Very high	27 Å²	27	37.3 Å²	37.3	18%	0.175	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64.6	129.1	177.2	26.3	-32.8	0	0	0	110	Y366 Q367 E450	P364-Y366 VanDerWaalsContact C-N 3.26Å; P364-Y366 PolarHBondContact O-N 2.8Å; P364-Q367 HydrophobicContact CG-CG 4.43Å; P364-E450 HydrophobicContact CB-CB 3.89Å; P364-E450 HydrophobicContact CB-CG 4.28Å; P364-E450 HydrophobicContact CG-CB 4.26Å; P364-E450 HydrophobicContact CG-CG 4.46Å
365	E	97.7	Very high	97.7	Very high	145 Å²	145	39.1 Å²	39.1	68%	0.678	19%	0.186	S	C	*	.	S	Bend	trans	-60.4	-37.2	177.9	-174.9	-160.6	142.7	0	0	112	M363	M363-E365 PolarHBondContact O-N 3.35Å
366	Y	98.3	Very high	97.6	Very high	63 Å²	63	39.6 Å²	39.6	25%	0.247	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	138.8	-173.4	-174.7	-117.8	0	0	0	111.2	P364 K368 E450 G451 R453 V456 L457	P364-Y366 VanDerWaalsContact C-N 3.26Å; P364-Y366 PolarHBondContact O-N 2.8Å; Y366-K368 HydrophobicContact CD1-CB 4.5Å; Y366-K368 HydrophobicContact CE1-CB 3.81Å; Y366-K368 HydrophobicContact CE1-CG 4.48Å; Y366-E450 CarbonylContact O-C 3.58Å; Y366-E450 VanDerWaalsContact O-CA 3.23Å; Y366-E450 WeakPolarHBondContact O-CA 3.43Å; Y366-G451 PolarHBondContact N-O 3.09Å; Y366-G451 PolarHBondContact O-N 3.05Å; Y366-R453 HydrophobicContact CD1-CB 4.2Å; Y366-R453 HydrophobicContact CD1-CG 3.89Å; Y366-R453 HydrophobicContact CD2-CG 4.47Å; Y366-R453 HydrophobicContact CE1-CG 4.24Å; Y366-R453 HydrophobicContact CG-CB 4.11Å; Y366-R453 HydrophobicContact CG-CG 4.01Å; Y366-V456 HydrophobicContact CD1-CB 3.94Å; Y366-V456 HydrophobicContact CD1-CG1 3.64Å; Y366-V456 HydrophobicContact CD1-CG2 4.38Å; Y366-V456 HydrophobicContact CE1-CB 4.5Å; Y366-V456 HydrophobicContact CE1-CG1 3.82Å; Y366-L457 HydrophobicContact CE1-CD2 4.31Å
367	Q	98	Very high	97.5	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.374	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.7	170.2	-67	-171.7	-37.6	0	0	109.6	P364 L448 F449 E450	P364-Q367 HydrophobicContact CG-CG 4.43Å; Q367-L448 HydrophobicContact CB-CD1 4.34Å; Q367-F449 CarbonylContact C-O 3.59Å; Q367-F449 WeakPolarHBondContact CA-O 3.39Å; Q367-E450 HydrophobicContact CG-CB 3.79Å; Q367-E450 PolarHBondContact NE2-OE2 3.43Å
368	K	97.8	Very high	97.5	Very high	36 Å²	36	44.7 Å²	44.7	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.7	179.2	-178.6	60.5	172.4	-178.2	0	110.6	Y366 F449 V456 E460 E477	Y366-K368 HydrophobicContact CD1-CB 4.5Å; Y366-K368 HydrophobicContact CE1-CB 3.81Å; Y366-K368 HydrophobicContact CE1-CG 4.48Å; K368-F449 HydrophobicContact CB-CB 4.4Å; K368-F449 PolarHBondContact N-O 3.39Å; K368-F449 PolarHBondContact O-N 2.93Å; K368-V456 HydrophobicContact CB-CG1 3.73Å; K368-E460 WeakPolarHBondContact CE-OE1 3.29Å; K368-E477 IonicContact NZ-OE1 3.42Å; K368-E477 IonicContact NZ-OE2 2.71Å; K368-E477 PolarHBondContact NZ-OE2 3.46Å
369	Y	97.8	Very high	97.5	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.122	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	151.5	173.1	-59.8	-93.7	0	0	0	110.8	L447 L448 E477 Q481 Y484	Y369-L447 WeakPolarHBondContact CA-O 3.45Å; Y369-L448 HydrophobicContact CD1-CB 4.48Å; Y369-L448 HydrophobicContact CD1-CD1 3.96Å; Y369-L448 HydrophobicContact CE1-CD1 3.75Å; Y369-L448 HydrophobicContact CE1-CG 4.5Å; Y369-L448 HydrophobicContact CE2-CD1 4.32Å; Y369-L448 HydrophobicContact CG-CD1 4.35Å; Y369-E477 WeakPolarHBondContact O-CG 3.18Å; Y369-Q481 HydrophobicContact CD1-CB 4.14Å; Y369-Q481 HydrophobicContact CD2-CB 4.01Å; Y369-Q481 HydrophobicContact CD2-CG 4.1Å; Y369-Q481 HydrophobicContact CE2-CG 4.16Å; Y369-Q481 HydrophobicContact CG-CB 3.81Å; Y369-Q481 HydrophobicContact CG-CG 4.32Å; Y369-Y484 HydrophobicContact CE1-CD1 4.15Å; Y369-Y484 HydrophobicContact CE1-CD2 4.18Å; Y369-Y484 AromaticContact CE1-CG 3.74Å; Y369-Y484 HydrophobicContact CE1-CG 3.74Å
370	G	95.5	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	167.7	177.8	0	0	0	0	0	112.3	L447 Y464 G480	G370-L447 PolarHBondContact N-O 2.85Å; G370-L447 PolarHBondContact O-N 3.44Å; G370-Y464 WeakPolarHBondContact CA-OH 2.78Å; G370-G480 VanDerWaalsContact O-CA 3.22Å; G370-G480 WeakPolarHBondContact O-CA 3.32Å
371	S	96.4	Very high	97.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151	170.8	63.2	0	0	0	0	111.9	A445 Y464 A475 G476 N479	S371-A445 CarbonylContact C-O 3.58Å; S371-A445 WeakPolarHBondContact CA-O 3.43Å; S371-A445 WeakPolarHBondContact CB-O 3.41Å; S371-Y464 PolarHBondContact N-OH 3.38Å; S371-A475 PolarHBondContact O-N 3.41Å; S371-A475 WeakPolarHBondContact OG-CB 3.46Å; S371-A475 PolarHBondContact OG-O 3.35Å; S371-G476 PolarHBondContact N-O 3.03Å; S371-G476 PolarHBondContact OG-N 3.13Å; S371-G476 PolarHBondContact OG-O 2.86Å; S371-N479 WeakPolarHBondContact OG-CB 3.25Å
372	V	96.7	Very high	97.5	Very high	3 Å²	3	40 Å²	40	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.4	178	-175.4	0	0	0	0	109	F374 V444 A445 L447 Y464 A467 L473	V372-F374 HydrophobicContact CB-CE2 3.85Å; V372-F374 HydrophobicContact CB-CZ 4.06Å; V372-F374 HydrophobicContact CG1-CD1 4.44Å; V372-F374 HydrophobicContact CG1-CD2 4.14Å; V372-F374 HydrophobicContact CG1-CE1 3.93Å; V372-F374 HydrophobicContact CG1-CE2 3.59Å; V372-F374 HydrophobicContact CG1-CZ 3.48Å; V372-F374 VanDerWaalsContact CG1-CZ 3.48Å; V372-V444 CarbonylContact O-C 3.35Å; V372-V444 VanDerWaalsContact O-CA 3.29Å; V372-V444 WeakPolarHBondContact O-CA 3.24Å; V372-A445 HydrophobicContact CB-CB 4.41Å; V372-A445 PolarHBondContact N-O 3.48Å; V372-A445 PolarHBondContact O-N 3.32Å; V372-L447 HydrophobicContact CG2-CD1 4.04Å; V372-Y464 HydrophobicContact CG2-CD1 3.83Å; V372-Y464 HydrophobicContact CG2-CE1 3.56Å; V372-A467 HydrophobicContact CG1-CB 3.96Å; V372-A467 HydrophobicContact CG2-CB 4.22Å; V372-L473 CarbonylContact C-O 3.54Å; V372-L473 WeakPolarHBondContact CA-O 3.3Å
373	V	95.7	Very high	97.5	Very high	11 Å²	11	37 Å²	37	7%	0.067	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.1	170.1	177.1	0	0	0	0	108.7	F437 L442 C443 V444 G472 L473 A475	V373-F437 HydrophobicContact CG1-CD2 3.91Å; V373-F437 HydrophobicContact CG1-CE2 3.98Å; V373-L442 HydrophobicContact CG1-CB 4.29Å; V373-L442 HydrophobicContact CG1-CD1 4.4Å; V373-C443 WeakPolarHBondContact CA-O 3.27Å; V373-V444 HydrophobicContact CG2-CG2 3.84Å; V373-G472 WeakPolarHBondContact O-CA 3.21Å; V373-L473 PolarHBondContact N-O 3.09Å; V373-L473 PolarHBondContact O-N 3.31Å; V373-A475 HydrophobicContact CB-CB 4.44Å; V373-A475 HydrophobicContact CG2-CB 3.46Å; V373-A475 VanDerWaalsContact CG2-CB 3.46Å
374	F	96.4	Very high	97.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	158	174.4	-60.8	-88.4	0	0	0	111.1	V372 N376 Q379 C383 L399 F437 L442 C443 A445 A467 F470	V372-F374 HydrophobicContact CB-CE2 3.85Å; V372-F374 HydrophobicContact CB-CZ 4.06Å; V372-F374 HydrophobicContact CG1-CD1 4.44Å; V372-F374 HydrophobicContact CG1-CD2 4.14Å; V372-F374 HydrophobicContact CG1-CE1 3.93Å; V372-F374 HydrophobicContact CG1-CE2 3.59Å; V372-F374 HydrophobicContact CG1-CZ 3.48Å; V372-F374 VanDerWaalsContact CG1-CZ 3.48Å; F374-N376 VanDerWaalsContact C-N 3.25Å; F374-N376 PolarHBondContact O-N 3.28Å; F374-Q379 HydrophobicContact CB-CB 4.48Å; F374-C383 HydrophobicContact CE1-CB 3.63Å; F374-C383 HydrophobicContact CZ-CB 3.71Å; F374-L399 HydrophobicContact CD2-CD1 3.98Å; F374-L399 HydrophobicContact CE2-CD1 4.11Å; F374-F437 VanDerWaalsContact C-CE2 3.48Å; F374-L442 WeakPolarHBondContact O-CA 3.17Å; F374-L442 WeakPolarHBondContact O-CB 3.27Å; F374-C443 PolarHBondContact N-O 3.4Å; F374-C443 PolarHBondContact O-N 2.92Å; F374-A445 HydrophobicContact CE2-CB 3.9Å; F374-A467 HydrophobicContact CE1-CB 4.16Å; F374-A467 HydrophobicContact CZ-CB 4.08Å; F374-F470 HydrophobicContact CD1-CB 4.45Å; F374-F470 HydrophobicContact CE1-CB 4.25Å
375	P	94.8	Very high	97.6	Very high	37 Å²	37	36.1 Å²	36.1	24%	0.24	17%	0.173	C	C	.	.	S	Bend	trans	-60.5	-34	179	-20.1	28.5	0	0	0	113.6	F437 R441 L442	P375-F437 HydrophobicContact CB-CD1 4.29Å; P375-F437 HydrophobicContact CB-CE1 4.17Å; P375-F437 HydrophobicContact CB-CE2 4.49Å; P375-F437 HydrophobicContact CB-CZ 4.28Å; P375-F437 HydrophobicContact CG-CD1 4.3Å; P375-F437 HydrophobicContact CG-CE1 3.69Å; P375-F437 HydrophobicContact CG-CE2 4.1Å; P375-F437 HydrophobicContact CG-CZ 3.58Å; P375-R441 CarbonylContact O-C 3.52Å; P375-L442 WeakPolarHBondContact O-CA 2.94Å; P375-L442 PolarHBondContact O-N 2.87Å
376	N	96.4	Very high	97.7	Very high	31 Å²	31	30.8 Å²	30.8	17%	0.166	15%	0.148	C	C	.	.	S	Bend	trans	-159.6	169.3	179.9	58.7	46.1	0	0	0	111.5	F374 E378 Q379 G380 R441 C443	F374-N376 VanDerWaalsContact C-N 3.25Å; F374-N376 PolarHBondContact O-N 3.28Å; N376-E378 VanDerWaalsContact C-N 3.29Å; N376-E378 VanDerWaalsContact CB-OE2 3.28Å; N376-E378 WeakPolarHBondContact CB-OE2 3.48Å; N376-E378 PolarHBondContact O-N 3.4Å; N376-E378 PolarHBondContact OD1-N 2.69Å; N376-E378 PolarHBondContact OD1-OE2 2.72Å; N376-Q379 PolarHBondContact O-N 3.07Å; N376-Q379 WeakPolarHBondContact OD1-CG 3.35Å; N376-Q379 PolarHBondContact OD1-N 3.19Å; N376-G380 PolarHBondContact O-N 2.85Å; N376-R441 WeakPolarHBondContact CA-O 3.06Å; N376-C443 VanDerWaalsContact C-SG 3.52Å; N376-C443 PolarHBondContact O-SG 2.76Å
377	F	98.2	Very high	97.7	Very high	21 Å²	21	27.8 Å²	27.8	9%	0.092	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-36	-176.6	-166.1	-111.8	0	0	0	112.7	Q379 G380 V381 L399 D401 C443 L517 C520 V546	F377-Q379 PolarHBondContact O-N 3.22Å; F377-G380 PolarHBondContact O-N 3.33Å; F377-V381 HydrophobicContact CD1-CG2 3.97Å; F377-V381 HydrophobicContact CE1-CG2 3.71Å; F377-V381 HydrophobicContact CZ-CG2 4.04Å; F377-V381 WeakPolarHBondContact O-CG2 3.39Å; F377-V381 PolarHBondContact O-N 2.88Å; F377-L399 HydrophobicContact CD2-CD2 3.93Å; F377-L399 HydrophobicContact CD2-CG 4.19Å; F377-L399 HydrophobicContact CE2-CD2 3.72Å; F377-L399 HydrophobicContact CE2-CG 3.91Å; F377-L399 HydrophobicContact CZ-CD2 4.3Å; F377-D401 HydrophobicContact CD2-CB 3.86Å; F377-D401 HydrophobicContact CE2-CB 4.02Å; F377-D401 HydrophobicContact CG-CB 4.45Å; F377-C443 HydrophobicContact CD2-CB 4.22Å; F377-L517 HydrophobicContact CD1-CD2 3.93Å; F377-L517 HydrophobicContact CE1-CD2 4.32Å; F377-C520 HydrophobicContact CE1-CB 4.2Å; F377-V546 HydrophobicContact CZ-CG2 4.1Å
378	E	98.6	Very high	97.7	Very high	86 Å²	86	24.2 Å²	24.2	40%	0.402	12%	0.12	S	C	.	.	H	α-helix	trans	-60.9	-45.8	179.6	-60.2	81.5	175.7	0	0	112	N376 V381 A382 L517	N376-E378 VanDerWaalsContact C-N 3.29Å; N376-E378 VanDerWaalsContact CB-OE2 3.28Å; N376-E378 WeakPolarHBondContact CB-OE2 3.48Å; N376-E378 PolarHBondContact O-N 3.4Å; N376-E378 PolarHBondContact OD1-N 2.69Å; N376-E378 PolarHBondContact OD1-OE2 2.72Å; E378-V381 PolarHBondContact O-N 3.46Å; E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 3.29Å; E378-L517 HydrophobicContact CB-CD1 4.08Å; E378-L517 HydrophobicContact CB-CD2 4.43Å; E378-L517 HydrophobicContact CG-CD1 3.86Å; E378-L517 HydrophobicContact CG-CD2 4.1Å
379	Q	98.6	Very high	97.8	Very high	74 Å²	74	29.5 Å²	29.5	35%	0.346	14%	0.139	S	C	.	.	H	α-helix	trans	-65.3	-38.9	175.3	-69.9	-60.3	-34.1	0	0	112.2	F374 N376 F377 A382 C383	F374-Q379 HydrophobicContact CB-CB 4.48Å; N376-Q379 PolarHBondContact O-N 3.07Å; N376-Q379 WeakPolarHBondContact OD1-CG 3.35Å; N376-Q379 PolarHBondContact OD1-N 3.19Å; F377-Q379 PolarHBondContact O-N 3.22Å; Q379-A382 PolarHBondContact O-N 2.84Å; Q379-C383 WeakPolarHBondContact O-CB 3.28Å; Q379-C383 PolarHBondContact O-N 2.93Å
380	G	98.7	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-45.5	174.2	0	0	0	0	0	112.3	N376 F377 C383 L384	N376-G380 PolarHBondContact O-N 2.85Å; F377-G380 PolarHBondContact O-N 3.33Å; G380-C383 WeakPolarHBondContact O-CB 3.38Å; G380-C383 PolarHBondContact O-N 2.8Å; G380-L384 WeakPolarHBondContact O-CD1 3.38Å; G380-L384 PolarHBondContact O-N 3.38Å
381	V	98.9	Very high	98	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.048	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-42.4	177.9	170.6	0	0	0	0	110.8	F377 E378 C383 L384 R385 L399 W513 V516 L517 V546	F377-V381 HydrophobicContact CD1-CG2 3.97Å; F377-V381 HydrophobicContact CE1-CG2 3.71Å; F377-V381 HydrophobicContact CZ-CG2 4.04Å; F377-V381 WeakPolarHBondContact O-CG2 3.39Å; F377-V381 PolarHBondContact O-N 2.88Å; E378-V381 PolarHBondContact O-N 3.46Å; V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3.45Å; V381-L384 PolarHBondContact O-N 2.9Å; V381-R385 WeakPolarHBondContact O-CB 3.14Å; V381-R385 PolarHBondContact O-N 2.78Å; V381-L399 HydrophobicContact CB-CD2 4.45Å; V381-L399 HydrophobicContact CG2-CD2 3.7Å; V381-L399 VanDerWaalsContact N-CD2 3.32Å; V381-W513 HydrophobicContact CG1-CZ3 4.37Å; V381-V516 HydrophobicContact CG1-CB 4.17Å; V381-V516 HydrophobicContact CG1-CG1 3.83Å; V381-V516 HydrophobicContact CG2-CG1 4.03Å; V381-L517 HydrophobicContact CB-CD2 3.95Å; V381-L517 HydrophobicContact CG1-CD2 4.22Å; V381-L517 HydrophobicContact CG1-CG 4.37Å; V381-L517 HydrophobicContact CG2-CD2 3.75Å; V381-V546 HydrophobicContact CG2-CG2 4.26Å
382	A	98.9	Very high	98.1	Very high	35 Å²	35	40.8 Å²	40.8	29%	0.289	19%	0.185	S	C	.	.	H	α-helix	trans	-61.2	-39.5	175.8	0	0	0	0	0	112.2	E378 Q379 R385 E386 F470	E378-A382 WeakPolarHBondContact O-CB 3.33Å; E378-A382 PolarHBondContact O-N 3.29Å; Q379-A382 PolarHBondContact O-N 2.84Å; A382-R385 WeakPolarHBondContact O-CB 3.06Å; A382-R385 PolarHBondContact O-N 3.49Å; A382-E386 WeakPolarHBondContact O-CB 3.33Å; A382-E386 PolarHBondContact O-N 3.48Å; A382-F470 HydrophobicContact CB-CD1 3.65Å; A382-F470 HydrophobicContact CB-CE1 3.62Å
383	C	98.9	Very high	98.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-48.6	172.6	-179.9	0	0	0	0	112.1	F374 Q379 G380 V381 R385 E386 V387 A467 F470	F374-C383 HydrophobicContact CE1-CB 3.63Å; F374-C383 HydrophobicContact CZ-CB 3.71Å; Q379-C383 WeakPolarHBondContact O-CB 3.28Å; Q379-C383 PolarHBondContact O-N 2.93Å; G380-C383 WeakPolarHBondContact O-CB 3.38Å; G380-C383 PolarHBondContact O-N 2.8Å; V381-C383 VanDerWaalsContact C-N 3.32Å; V381-C383 PolarHBondContact O-N 3.45Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3Å; C383-E386 PolarHBondContact O-N 3.1Å; C383-E386 VanDerWaalsContact O-N 3.14Å; C383-V387 WeakPolarHBondContact O-CG2 3.39Å; C383-V387 PolarHBondContact O-N 3.4Å; C383-A467 VanDerWaalsContact SG-CA 3.56Å; C383-F470 HydrophobicContact CB-CB 4Å; C383-F470 HydrophobicContact CB-CD2 3.77Å; C383-F470 HydrophobicContact CB-CE2 4.46Å; C383-F470 HydrophobicContact CB-CG 3.89Å
384	L	98.8	Very high	98.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-39.7	178.4	-95.6	66.5	0	0	0	111.5	G380 V381 E386 V387 A388 I397 L399 W513 V546 T549	G380-L384 WeakPolarHBondContact O-CD1 3.38Å; G380-L384 PolarHBondContact O-N 3.38Å; V381-L384 PolarHBondContact O-N 2.9Å; L384-E386 VanDerWaalsContact C-N 3.32Å; L384-E386 PolarHBondContact O-N 2.79Å; L384-V387 PolarHBondContact O-N 2.96Å; L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 2.72Å; L384-I397 HydrophobicContact CD1-CD1 3.66Å; L384-I397 HydrophobicContact CD1-CG1 3.96Å; L384-I397 HydrophobicContact CD2-CG1 4.35Å; L384-I397 HydrophobicContact CG-CD1 3.81Å; L384-I397 HydrophobicContact CG-CG1 3.99Å; L384-L399 HydrophobicContact CD1-CB 4.06Å; L384-L399 HydrophobicContact CD1-CD1 4.44Å; L384-L399 HydrophobicContact CD1-CD2 4.49Å; L384-L399 HydrophobicContact CD2-CB 3.63Å; L384-L399 HydrophobicContact CD2-CD2 4.47Å; L384-W513 HydrophobicContact CB-CH2 4.1Å; L384-W513 HydrophobicContact CB-CZ3 4.41Å; L384-V546 HydrophobicContact CD2-CB 3.91Å; L384-V546 HydrophobicContact CD2-CG1 3.73Å; L384-T549 HydrophobicContact CB-CG2 4.2Å; L384-T549 HydrophobicContact CD2-CG2 4.04Å; L384-T549 HydrophobicContact CG-CG2 4.16Å
385	R	98.8	Very high	98.4	Very high	91 Å²	91	41.1 Å²	41.1	34%	0.343	19%	0.19	S	C	.	.	H	α-helix	trans	-59.3	-42.2	173.5	170.6	64.8	-175.4	92.7	-6.1	112.1	V381 A382 C383 A388 R389 W513	V381-R385 WeakPolarHBondContact O-CB 3.14Å; V381-R385 PolarHBondContact O-N 2.78Å; A382-R385 WeakPolarHBondContact O-CB 3.06Å; A382-R385 PolarHBondContact O-N 3.49Å; C383-R385 VanDerWaalsContact C-N 3.28Å; C383-R385 PolarHBondContact O-N 3Å; R385-A388 PolarHBondContact O-N 3.49Å; R385-R389 WeakPolarHBondContact O-CB 3.4Å; R385-R389 PolarHBondContact O-N 3.38Å; R385-W513 HydrophobicContact CB-CD2 4.16Å; R385-W513 HydrophobicContact CB-CE3 3.84Å; R385-W513 HydrophobicContact CB-CH2 4.36Å; R385-W513 HydrophobicContact CB-CZ3 3.95Å; R385-W513 HydrophobicContact CG-CD2 4.33Å; R385-W513 HydrophobicContact CG-CE3 4.42Å
386	E	98.9	Very high	98.6	Very high	34 Å²	34	39.4 Å²	39.4	16%	0.159	18%	0.179	C	C	.	.	H	α-helix	trans	-70.7	-41.4	179.4	179.4	59.4	-164	0	0	111.9	A382 C383 L384 A388 R389 Q390 I466 F470	A382-E386 WeakPolarHBondContact O-CB 3.33Å; A382-E386 PolarHBondContact O-N 3.48Å; C383-E386 PolarHBondContact O-N 3.1Å; C383-E386 VanDerWaalsContact O-N 3.14Å; L384-E386 VanDerWaalsContact C-N 3.32Å; L384-E386 PolarHBondContact O-N 2.79Å; E386-A388 VanDerWaalsContact C-N 3.3Å; E386-A388 PolarHBondContact O-N 2.68Å; E386-R389 WeakPolarHBondContact O-CB 3.43Å; E386-R389 PolarHBondContact O-N 2.68Å; E386-R389 VanDerWaalsContact O-N 3.17Å; E386-R389 IonicContact OE1-CZ 3.98Å; E386-R389 IonicContact OE1-NE 3.42Å; E386-R389 PolarHBondContact OE1-NE 3.28Å; E386-R389 IonicContact OE1-NH2 3.9Å; E386-R389 PolarHBondContact OE1-NH2 2.6Å; E386-R389 IonicContact OE2-CZ 2.68Å; E386-R389 IonicContact OE2-NE 3.53Å; E386-R389 PolarHBondContact OE2-NE 3.05Å; E386-R389 IonicContact OE2-NH2 2.71Å; E386-R389 PolarHBondContact OE2-NH2 2.74Å; E386-Q390 PolarHBondContact O-N 3.07Å; E386-Q390 PolarHBondContact OE1-NE2 3.42Å; E386-I466 HydrophobicContact CB-CG2 4.11Å; E386-I466 HydrophobicContact CG-CG2 3.67Å; E386-F470 HydrophobicContact CB-CE2 3.66Å; E386-F470 HydrophobicContact CB-CZ 3.66Å; E386-F470 HydrophobicContact CG-CE2 3.82Å; E386-F470 HydrophobicContact CG-CZ 4.01Å
387	V	98.8	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-44.2	172	168.7	0	0	0	0	110.8	C383 L384 Q390 R391 C392 A393 V463 I466	C383-V387 WeakPolarHBondContact O-CG2 3.39Å; C383-V387 PolarHBondContact O-N 3.4Å; L384-V387 PolarHBondContact O-N 2.96Å; V387-Q390 PolarHBondContact O-N 3.13Å; V387-R391 PolarHBondContact O-N 2.7Å; V387-R391 VanDerWaalsContact O-N 3.16Å; V387-C392 PolarHBondContact O-N 3.43Å; V387-C392 VanDerWaalsContact O-N 3.11Å; V387-A393 VanDerWaalsContact CG1-CA 3.49Å; V387-A393 HydrophobicContact CG1-CB 4.08Å; V387-V463 HydrophobicContact CG2-CG1 4.49Å; V387-I466 HydrophobicContact CG2-CB 4.42Å; V387-I466 HydrophobicContact CG2-CD1 4.23Å; V387-I466 HydrophobicContact CG2-CG2 3.91Å
388	A	98.7	Very high	98.7	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-41.2	174.5	0	0	0	0	0	112.1	L384 R385 E386 Q390 R391 W513	L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 2.72Å; R385-A388 PolarHBondContact O-N 3.49Å; E386-A388 VanDerWaalsContact C-N 3.3Å; E386-A388 PolarHBondContact O-N 2.68Å; A388-Q390 VanDerWaalsContact C-N 3.28Å; A388-Q390 PolarHBondContact O-N 3.2Å; A388-R391 WeakPolarHBondContact O-CA 3.47Å; A388-R391 PolarHBondContact O-N 2.83Å; A388-W513 HydrophobicContact CB-CZ2 3.65Å
389	R	98.8	Very high	98.7	Very high	147 Å²	147	33.6 Å²	33.6	56%	0.555	15%	0.151	S	C	*	.	H	α-helix	trans	-57.6	-41.5	176.5	-160.4	-178.2	63.9	79.1	0.9	112.3	R385 E386 R391	R385-R389 WeakPolarHBondContact O-CB 3.4Å; R385-R389 PolarHBondContact O-N 3.38Å; E386-R389 WeakPolarHBondContact O-CB 3.43Å; E386-R389 PolarHBondContact O-N 2.68Å; E386-R389 VanDerWaalsContact O-N 3.17Å; E386-R389 IonicContact OE1-CZ 3.98Å; E386-R389 IonicContact OE1-NE 3.42Å; E386-R389 PolarHBondContact OE1-NE 3.28Å; E386-R389 IonicContact OE1-NH2 3.9Å; E386-R389 PolarHBondContact OE1-NH2 2.6Å; E386-R389 IonicContact OE2-CZ 2.68Å; E386-R389 IonicContact OE2-NE 3.53Å; E386-R389 PolarHBondContact OE2-NE 3.05Å; E386-R389 IonicContact OE2-NH2 2.71Å; E386-R389 PolarHBondContact OE2-NH2 2.74Å; R389-R391 PolarHBondContact O-N 3.49Å
390	Q	98.8	Very high	98.6	Very high	71 Å²	71	31.1 Å²	31.1	33%	0.332	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.3	177.9	-65.9	-170.4	35.9	0	0	112.8	E386 V387 A388 C392	E386-Q390 PolarHBondContact O-N 3.07Å; E386-Q390 PolarHBondContact OE1-NE2 3.42Å; V387-Q390 PolarHBondContact O-N 3.13Å; A388-Q390 VanDerWaalsContact C-N 3.28Å; A388-Q390 PolarHBondContact O-N 3.2Å; Q390-C392 PolarHBondContact O-N 3.03Å
391	R	98.6	Very high	98.6	Very high	188 Å²	188	31.3 Å²	31.3	71%	0.709	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.7	39.4	-176.7	-67.7	-178.9	165.3	173.6	-4.6	112.7	V387 A388 R389 D551	V387-R391 PolarHBondContact O-N 2.7Å; V387-R391 VanDerWaalsContact O-N 3.16Å; A388-R391 WeakPolarHBondContact O-CA 3.47Å; A388-R391 PolarHBondContact O-N 2.83Å; R389-R391 PolarHBondContact O-N 3.49Å; R391-D551 IonicContact CZ-OD1 2.77Å; R391-D551 IonicContact CZ-OD2 2.85Å; R391-D551 IonicContact NE-OD1 3.98Å; R391-D551 PolarHBondContact NE-OD1 2.94Å; R391-D551 IonicContact NE-OD2 3.61Å; R391-D551 PolarHBondContact NE-OD2 3.36Å; R391-D551 IonicContact NH2-OD1 3.51Å; R391-D551 IonicContact NH2-OD2 2.84Å; R391-D551 PolarHBondContact NH2-OD2 2.88Å
392	C	98.6	Very high	98.4	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.061	14%	0.142	C	C	.	.			trans	-118.9	34.7	-179.8	70.4	0	0	0	0	111	V387 Q390 H459 V463 I466	V387-C392 PolarHBondContact O-N 3.43Å; V387-C392 VanDerWaalsContact O-N 3.11Å; Q390-C392 PolarHBondContact O-N 3.03Å; C392-H459 PolarHBondContact O-NE2 3.43Å; C392-V463 WeakPolarHBondContact O-CG2 3.26Å; C392-I466 WeakPolarHBondContact SG-CD1 3.47Å
393	A	98.7	Very high	98.2	Very high	22 Å²	22	33.1 Å²	33.1	18%	0.182	14%	0.143	C	C	.	.			trans	-62.4	135.5	172	0	0	0	0	0	109.9	N303 V387 I397 H459	N303-A393 HydrophobicContact CB-CB 4.35Å; V387-A393 VanDerWaalsContact CG1-CA 3.49Å; V387-A393 HydrophobicContact CG1-CB 4.08Å; A393-I397 HydrophobicContact CB-CG2 4.42Å; A393-H459 PolarHBondContact O-CE1 2.69Å; A393-H459 VanDerWaalsContact O-CE1 3.31Å
394	P	98.6	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.145	C	C	.	.			trans	-68	177.3	171.5	34.7	-39.5	0	0	0	110.6	N303 S396 I397 L447 L448 F449	N303-P394 VanDerWaalsContact CB-O 3.28Å; N303-P394 WeakPolarHBondContact CB-O 3.26Å; N303-P394 PolarHBondContact ND2-O 3.22Å; P394-S396 WeakPolarHBondContact CG-O 3.46Å; P394-S396 PolarHBondContact O-N 2.79Å; P394-I397 HydrophobicContact CG-CB 3.75Å; P394-I397 HydrophobicContact CG-CG2 4.27Å; P394-L447 HydrophobicContact CG-CD2 4.16Å; P394-L448 WeakPolarHBondContact CB-O 3.26Å; P394-F449 HydrophobicContact CB-CD1 3.57Å; P394-F449 HydrophobicContact CB-CD2 4.3Å; P394-F449 HydrophobicContact CB-CE1 3.47Å; P394-F449 VanDerWaalsContact CB-CE1 3.47Å; P394-F449 HydrophobicContact CB-CE2 4.21Å; P394-F449 HydrophobicContact CB-CG 3.98Å; P394-F449 HydrophobicContact CB-CZ 3.78Å; P394-F449 HydrophobicContact CG-CE1 4.39Å; P394-F449 HydrophobicContact CG-CZ 4.32Å
395	A	98.6	Very high	97.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	16%	0.157	C	C	.	.	S	Bend	trans	-49.2	-46.9	177.8	0	0	0	0	0	111.2	K301 N303 I304 L448 E450	K301-A395 CarbonylContact C-O 3.55Å; K301-A395 VanDerWaalsContact CA-O 3.27Å; K301-A395 WeakPolarHBondContact CA-O 3.23Å; N303-A395 PolarHBondContact ND2-O 2.89Å; I304-A395 HydrophobicContact CD1-CB 3.43Å; I304-A395 VanDerWaalsContact CD1-CB 3.43Å; I304-A395 HydrophobicContact CG1-CB 4.1Å; A395-L448 WeakPolarHBondContact CA-O 3.32Å; A395-L448 HydrophobicContact CB-CG 4.45Å; A395-L448 WeakPolarHBondContact CB-O 3.39Å; A395-L448 PolarHBondContact N-O 2.93Å; A395-E450 HydrophobicContact CB-CG 3.89Å
396	S	98.7	Very high	96.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.6	170.5	-161.7	0	0	0	0	111.6	M300 P394 L447 L448	M300-S396 VanDerWaalsContact O-CB 3.24Å; M300-S396 WeakPolarHBondContact O-CB 3.36Å; M300-S396 PolarHBondContact O-OG 3.21Å; P394-S396 WeakPolarHBondContact CG-O 3.46Å; P394-S396 PolarHBondContact O-N 2.79Å; S396-L447 WeakPolarHBondContact O-CA 3.36Å; S396-L448 PolarHBondContact N-O 3.25Å; S396-L448 PolarHBondContact O-N 2.78Å
397	I	98.5	Very high	96.5	Very high	4 Å²	4	35 Å²	35	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	121.5	170.8	178.2	162.4	0	0	0	108.9	L384 A393 P394 T446 L447 T549	L384-I397 HydrophobicContact CD1-CD1 3.66Å; L384-I397 HydrophobicContact CD1-CG1 3.96Å; L384-I397 HydrophobicContact CD2-CG1 4.35Å; L384-I397 HydrophobicContact CG-CD1 3.81Å; L384-I397 HydrophobicContact CG-CG1 3.99Å; A393-I397 HydrophobicContact CB-CG2 4.42Å; P394-I397 HydrophobicContact CG-CB 3.75Å; P394-I397 HydrophobicContact CG-CG2 4.27Å; I397-T446 WeakPolarHBondContact CA-O 2.95Å; I397-L447 HydrophobicContact CB-CD2 3.94Å; I397-L447 HydrophobicContact CD1-CD2 3.66Å; I397-L447 HydrophobicContact CG1-CD2 3.57Å; I397-T549 HydrophobicContact CG2-CG2 4.16Å
398	R	98.4	Very high	96	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.045	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.4	-173.9	-56.4	177.5	-65.4	161.6	6	110.8	M300 A445 T446 G483 Y484 T487 V546	M300-R398 VanDerWaalsContact CE-NH1 3.3Å; R398-A445 CarbonylContact O-C 3.54Å; R398-A445 VanDerWaalsContact O-CA 3.24Å; R398-A445 WeakPolarHBondContact O-CA 3.37Å; R398-T446 PolarHBondContact N-O 3.03Å; R398-T446 PolarHBondContact NE-OG1 2.8Å; R398-T446 PolarHBondContact NH2-OG1 3.39Å; R398-T446 PolarHBondContact O-N 2.98Å; R398-G483 PolarHBondContact NH2-O 2.92Å; R398-Y484 VanDerWaalsContact NH2-CA 3.26Å; R398-T487 PolarHBondContact NH1-OG1 3.41Å; R398-V546 CarbonylContact C-O 3.58Å; R398-V546 VanDerWaalsContact CA-O 3.27Å; R398-V546 WeakPolarHBondContact CA-O 3.45Å
399	L	98.5	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	110.2	-178.1	-178.4	75.8	0	0	0	110.4	F374 F377 V381 L384 A445 R545 V546	F374-L399 HydrophobicContact CD2-CD1 3.98Å; F374-L399 HydrophobicContact CE2-CD1 4.11Å; F377-L399 HydrophobicContact CD2-CD2 3.93Å; F377-L399 HydrophobicContact CD2-CG 4.19Å; F377-L399 HydrophobicContact CE2-CD2 3.72Å; F377-L399 HydrophobicContact CE2-CG 3.91Å; F377-L399 HydrophobicContact CZ-CD2 4.3Å; V381-L399 HydrophobicContact CB-CD2 4.45Å; V381-L399 HydrophobicContact CG2-CD2 3.7Å; V381-L399 VanDerWaalsContact N-CD2 3.32Å; L384-L399 HydrophobicContact CD1-CB 4.06Å; L384-L399 HydrophobicContact CD1-CD1 4.44Å; L384-L399 HydrophobicContact CD1-CD2 4.49Å; L384-L399 HydrophobicContact CD2-CB 3.63Å; L384-L399 HydrophobicContact CD2-CD2 4.47Å; L399-A445 HydrophobicContact CD1-CB 4.05Å; L399-R545 CarbonylContact O-C 3.57Å; L399-R545 WeakPolarHBondContact O-CA 3.48Å; L399-R545 WeakPolarHBondContact O-CB 3.19Å; L399-V546 HydrophobicContact CB-CB 4.24Å; L399-V546 PolarHBondContact N-O 2.9Å; L399-V546 PolarHBondContact O-N 3Å
400	M	97	Very high	94.9	Very high	23 Å²	23	34.2 Å²	34.2	11%	0.113	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.4	177.5	74.9	-165.8	63.4	0	0	111.4	Q404 F405 C443 V444 T446 R545	M400-Q404 HydrophobicContact CB-CB 3.79Å; M400-Q404 HydrophobicContact CG-CB 4.32Å; M400-F405 HydrophobicContact CG-CB 4.31Å; M400-F405 HydrophobicContact SD-CB 4.3Å; M400-C443 VanDerWaalsContact O-CB 3.26Å; M400-C443 WeakPolarHBondContact O-CB 3.42Å; M400-V444 HydrophobicContact CG-CB 4.09Å; M400-V444 WeakPolarHBondContact CG-O 3.47Å; M400-V444 PolarHBondContact N-O 3.04Å; M400-V444 PolarHBondContact O-N 2.9Å; M400-V444 HydrophobicContact SD-CB 4.23Å; M400-T446 HydrophobicContact CE-CG2 3.65Å; M400-R545 HydrophobicContact CB-CB 4.32Å
401	D	97.4	Very high	94.3	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.146	C	C	.	.			trans	-68.7	176.5	171.7	77.6	16.2	0	0	0	112.4	F377 E403 Q404 F405 K524 T543 C544	F377-D401 HydrophobicContact CD2-CB 3.86Å; F377-D401 HydrophobicContact CE2-CB 4.02Å; F377-D401 HydrophobicContact CG-CB 4.45Å; D401-E403 VanDerWaalsContact C-N 3.31Å; D401-E403 PolarHBondContact O-N 3.04Å; D401-E403 PolarHBondContact OD1-N 3.1Å; D401-E403 VanDerWaalsContact OD1-N 3.11Å; D401-Q404 PolarHBondContact O-N 3.42Å; D401-Q404 PolarHBondContact OD1-N 3.33Å; D401-Q404 VanDerWaalsContact OD1-N 3.13Å; D401-F405 PolarHBondContact O-N 3.06Å; D401-K524 IonicContact OD2-NZ 3.92Å; D401-K524 PolarHBondContact OD2-NZ 2.7Å; D401-T543 VanDerWaalsContact CG-OG1 3.26Å; D401-T543 PolarHBondContact OD1-OG1 3.11Å; D401-T543 PolarHBondContact OD2-OG1 2.92Å; D401-C544 WeakPolarHBondContact CB-O 3.49Å; D401-C544 PolarHBondContact N-O 2.78Å; D401-C544 VanDerWaalsContact N-O 3.12Å; D401-C544 PolarHBondContact OD2-N 3.12Å; D401-C544 PolarHBondContact OD2-SG 2.87Å; D401-C544 VanDerWaalsContact OD2-SG 3.35Å
402	N	94.9	Very high	93.7	Very high	14 Å²	14	24.1 Å²	24.1	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-36.5	-174.6	-172.3	-104.5	0	0	0	113.3	F405 K406 P439 N440 L442	N402-F405 WeakPolarHBondContact O-CB 3.26Å; N402-F405 PolarHBondContact O-N 3.43Å; N402-K406 WeakPolarHBondContact O-CG 3.34Å; N402-K406 PolarHBondContact O-N 2.82Å; N402-K406 WeakPolarHBondContact OD1-CE 3.42Å; N402-K406 PolarHBondContact OD1-NZ 2.8Å; N402-K406 VanDerWaalsContact OD1-NZ 3.07Å; N402-P439 PolarHBondContact ND2-O 3.35Å; N402-N440 VanDerWaalsContact CG-C 3.45Å; N402-N440 PolarHBondContact OD1-O 3.24Å; N402-L442 WeakPolarHBondContact CA-O 3.25Å; N402-L442 VanDerWaalsContact CB-O 3.27Å; N402-L442 WeakPolarHBondContact CB-O 3.42Å; N402-L442 PolarHBondContact ND2-O 3.36Å
403	E	94.4	Very high	93	Very high	67 Å²	67	24.6 Å²	24.6	31%	0.313	12%	0.124	S	C	.	.	H	α-helix	trans	-68.6	-41.7	-179.1	-67.2	-52.6	133.5	0	0	111	D401 F405 K406 F407 L541	D401-E403 VanDerWaalsContact C-N 3.31Å; D401-E403 PolarHBondContact O-N 3.04Å; D401-E403 PolarHBondContact OD1-N 3.1Å; D401-E403 VanDerWaalsContact OD1-N 3.11Å; E403-F405 VanDerWaalsContact C-N 3.32Å; E403-F405 PolarHBondContact O-N 3.49Å; E403-K406 PolarHBondContact O-N 3.49Å; E403-K406 IonicContact OE1-NZ 2.65Å; E403-K406 PolarHBondContact OE1-NZ 2.95Å; E403-K406 IonicContact OE2-NZ 2.79Å; E403-F407 WeakPolarHBondContact O-CB 3.49Å; E403-F407 PolarHBondContact O-N 2.71Å; E403-L541 HydrophobicContact CB-CD1 4.49Å
404	Q	91.2	Very high	91.8	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.061	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-34.7	171.6	-96.1	172.1	54.4	0	0	112.9	M400 D401 F407 A408 T543 C544 R545	M400-Q404 HydrophobicContact CB-CB 3.79Å; M400-Q404 HydrophobicContact CG-CB 4.32Å; D401-Q404 PolarHBondContact O-N 3.42Å; D401-Q404 PolarHBondContact OD1-N 3.33Å; D401-Q404 VanDerWaalsContact OD1-N 3.13Å; Q404-F407 PolarHBondContact O-N 3.48Å; Q404-A408 WeakPolarHBondContact O-CB 3.11Å; Q404-A408 PolarHBondContact O-N 2.94Å; Q404-T543 HydrophobicContact CG-CG2 3.9Å; Q404-T543 VanDerWaalsContact CG-OG1 3.23Å; Q404-T543 WeakPolarHBondContact CG-OG1 3.47Å; Q404-T543 PolarHBondContact N-OG1 2.99Å; Q404-T543 PolarHBondContact NE2-OG1 2.73Å; Q404-C544 PolarHBondContact NE2-O 3.29Å; Q404-R545 VanDerWaalsContact OE1-CB 3.27Å; Q404-R545 VanDerWaalsContact OE1-CD 3.25Å; Q404-R545 VanDerWaalsContact OE1-CG 3.31Å
405	F	89.4	Confident	90.1	Very high	58 Å²	58	33.5 Å²	33.5	25%	0.254	17%	0.168	S	C	.	.	H	α-helix	trans	-63.3	-44.8	173.5	171.7	-105.7	0	0	0	112	M400 D401 N402 E403 F407 A408 H409 L442 V444	M400-F405 HydrophobicContact CG-CB 4.31Å; M400-F405 HydrophobicContact SD-CB 4.3Å; D401-F405 PolarHBondContact O-N 3.06Å; N402-F405 WeakPolarHBondContact O-CB 3.26Å; N402-F405 PolarHBondContact O-N 3.43Å; E403-F405 VanDerWaalsContact C-N 3.32Å; E403-F405 PolarHBondContact O-N 3.49Å; F405-F407 VanDerWaalsContact C-N 3.34Å; F405-F407 PolarHBondContact O-N 2.86Å; F405-A408 PolarHBondContact O-N 2.92Å; F405-H409 WeakPolarHBondContact O-CB 3.45Å; F405-H409 PolarHBondContact O-N 3.12Å; F405-L442 HydrophobicContact CD1-CD1 3.45Å; F405-L442 VanDerWaalsContact CD1-CD1 3.45Å; F405-L442 HydrophobicContact CE1-CD1 3.54Å; F405-L442 HydrophobicContact CG-CD1 4.05Å; F405-L442 HydrophobicContact CZ-CD1 4.18Å; F405-V444 HydrophobicContact CB-CG2 4.47Å; F405-V444 HydrophobicContact CD2-CB 4.22Å; F405-V444 HydrophobicContact CD2-CG2 3.37Å; F405-V444 HydrophobicContact CE2-CG2 3.73Å; F405-V444 HydrophobicContact CG-CG2 3.99Å
406	K	89.8	Confident	87.5	Confident	68 Å²	68	39.4 Å²	39.4	30%	0.296	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-45	174.2	-72.1	169.3	-179.9	159.2	0	111.3	N402 E403 H409 A410	N402-K406 WeakPolarHBondContact O-CG 3.34Å; N402-K406 PolarHBondContact O-N 2.82Å; N402-K406 WeakPolarHBondContact OD1-CE 3.42Å; N402-K406 PolarHBondContact OD1-NZ 2.8Å; N402-K406 VanDerWaalsContact OD1-NZ 3.07Å; E403-K406 PolarHBondContact O-N 3.49Å; E403-K406 IonicContact OE1-NZ 2.65Å; E403-K406 PolarHBondContact OE1-NZ 2.95Å; E403-K406 IonicContact OE2-NZ 2.79Å; K406-H409 WeakPolarHBondContact O-CB 3.45Å; K406-H409 PolarHBondContact O-N 2.89Å; K406-A410 PolarHBondContact O-N 2.84Å
407	F	90.4	Very high	85	Confident	30 Å²	30	41.9 Å²	41.9	13%	0.132	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-47.6	176.2	171.9	-121.5	0	0	0	112.5	W110 E403 Q404 F405 H409 A410 L411 I490 L493	W110-F407 AromaticContact CD2-CD2 3.89Å; W110-F407 HydrophobicContact CD2-CD2 3.89Å; W110-F407 AromaticContact CE2-CD2 3.61Å; W110-F407 AromaticContact CE3-CD2 3.91Å; W110-F407 HydrophobicContact CE3-CD2 3.91Å; W110-F407 HydrophobicContact CE3-CE2 4.18Å; W110-F407 AromaticContact CH2-CD2 3.41Å; W110-F407 HydrophobicContact CH2-CD2 3.41Å; W110-F407 VanDerWaalsContact CH2-CD2 3.41Å; W110-F407 AromaticContact CH2-CE2 3.63Å; W110-F407 HydrophobicContact CH2-CE2 3.63Å; W110-F407 HydrophobicContact CH2-CG 4.25Å; W110-F407 HydrophobicContact CZ2-CB 3.92Å; W110-F407 AromaticContact CZ2-CD2 3.39Å; W110-F407 HydrophobicContact CZ2-CD2 3.39Å; W110-F407 HydrophobicContact CZ2-CE2 4.11Å; W110-F407 AromaticContact CZ2-CG 3.92Å; W110-F407 HydrophobicContact CZ2-CG 3.92Å; W110-F407 AromaticContact CZ3-CD2 3.67Å; W110-F407 HydrophobicContact CZ3-CD2 3.67Å; W110-F407 AromaticContact CZ3-CE2 3.66Å; W110-F407 HydrophobicContact CZ3-CE2 3.66Å; E403-F407 WeakPolarHBondContact O-CB 3.49Å; E403-F407 PolarHBondContact O-N 2.71Å; Q404-F407 PolarHBondContact O-N 3.48Å; F405-F407 VanDerWaalsContact C-N 3.34Å; F405-F407 PolarHBondContact O-N 2.86Å; F407-H409 PolarHBondContact O-N 3.17Å; F407-A410 WeakPolarHBondContact O-CB 3.23Å; F407-A410 PolarHBondContact O-N 3.27Å; F407-L411 HydrophobicContact CD1-CD1 4.33Å; F407-L411 HydrophobicContact CD2-CD1 4.34Å; F407-L411 HydrophobicContact CD2-CG 4.44Å; F407-L411 HydrophobicContact CE1-CD1 3.84Å; F407-L411 HydrophobicContact CE2-CD1 3.86Å; F407-L411 HydrophobicContact CE2-CD2 4.44Å; F407-L411 HydrophobicContact CE2-CG 4.15Å; F407-L411 HydrophobicContact CZ-CD1 3.63Å; F407-L411 HydrophobicContact CZ-CG 4.42Å; F407-L411 PolarHBondContact O-N 2.79Å; F407-L411 VanDerWaalsContact O-N 3.12Å; F407-I490 HydrophobicContact CE1-CG1 4.36Å; F407-L493 HydrophobicContact CE1-CD1 4.46Å; F407-L493 HydrophobicContact CE2-CD1 3.94Å; F407-L493 HydrophobicContact CZ-CD1 3.42Å; F407-L493 VanDerWaalsContact CZ-CD1 3.42Å
408	A	87.3	Confident	82.4	Confident	24 Å²	24	49.2 Å²	49.2	20%	0.198	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-32.2	175.5	0	0	0	0	0	112.1	Q404 F405 L411 L486	Q404-A408 WeakPolarHBondContact O-CB 3.11Å; Q404-A408 PolarHBondContact O-N 2.94Å; F405-A408 PolarHBondContact O-N 2.92Å; A408-L411 PolarHBondContact O-N 2.88Å; A408-L486 HydrophobicContact CB-CD1 4.39Å
409	H	85.9	Confident	79.7	Confident	100 Å²	100	55.7 Å²	55.7	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-70.8	-36.9	173.1	-164.9	94.2	0	0	0	112.8	F405 K406 F407 L411 K412	F405-H409 WeakPolarHBondContact O-CB 3.45Å; F405-H409 PolarHBondContact O-N 3.12Å; K406-H409 WeakPolarHBondContact O-CB 3.45Å; K406-H409 PolarHBondContact O-N 2.89Å; F407-H409 PolarHBondContact O-N 3.17Å; H409-L411 PolarHBondContact O-N 2.93Å; H409-K412 WeakPolarHBondContact ND1-CE 3.49Å; H409-K412 WeakPolarHBondContact O-CB 3.42Å; H409-K412 VanDerWaalsContact O-CG 3.23Å; H409-K412 WeakPolarHBondContact O-CG 3.41Å; H409-K412 PolarHBondContact O-N 2.86Å
410	A	88.4	Confident	77.5	Confident	10 Å²	10	58.9 Å²	58.9	8%	0.083	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-28.1	174.7	0	0	0	0	0	112.5	I104 G106 L107 W110 K406 F407 K412	I104-A410 WeakPolarHBondContact CG2-O 3.43Å; G106-A410 CarbonylContact C-O 3.59Å; G106-A410 WeakPolarHBondContact CA-O 3.37Å; L107-A410 PolarHBondContact N-O 3.34Å; W110-A410 HydrophobicContact CB-CB 3.4Å; W110-A410 HydrophobicContact CD2-CB 4.41Å; W110-A410 HydrophobicContact CG-CB 3.62Å; K406-A410 PolarHBondContact O-N 2.84Å; F407-A410 WeakPolarHBondContact O-CB 3.23Å; F407-A410 PolarHBondContact O-N 3.27Å; A410-K412 VanDerWaalsContact C-N 3.29Å; A410-K412 PolarHBondContact O-N 3.4Å
411	L	87.4	Confident	75.3	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	5.2	177.1	-65.5	176.6	0	0	0	114.4	I104 L107 F407 A408 H409 P413 L486 L493	I104-L411 HydrophobicContact CG2-CD2 4.3Å; L107-L411 HydrophobicContact CD1-CD2 3.86Å; L107-L411 HydrophobicContact CD2-CD2 4.14Å; L107-L411 HydrophobicContact CG-CD2 4.42Å; F407-L411 HydrophobicContact CD1-CD1 4.33Å; F407-L411 HydrophobicContact CD2-CD1 4.34Å; F407-L411 HydrophobicContact CD2-CG 4.44Å; F407-L411 HydrophobicContact CE1-CD1 3.84Å; F407-L411 HydrophobicContact CE2-CD1 3.86Å; F407-L411 HydrophobicContact CE2-CD2 4.44Å; F407-L411 HydrophobicContact CE2-CG 4.15Å; F407-L411 HydrophobicContact CZ-CD1 3.63Å; F407-L411 HydrophobicContact CZ-CG 4.42Å; F407-L411 PolarHBondContact O-N 2.79Å; F407-L411 VanDerWaalsContact O-N 3.12Å; A408-L411 PolarHBondContact O-N 2.88Å; H409-L411 PolarHBondContact O-N 2.93Å; L411-P413 WeakPolarHBondContact O-CD 3.47Å; L411-L486 HydrophobicContact CB-CD1 4.33Å; L411-L486 HydrophobicContact CB-CD2 4.1Å; L411-L486 HydrophobicContact CD1-CD1 4.31Å; L411-L486 HydrophobicContact CD1-CD2 3.91Å; L411-L493 HydrophobicContact CD1-CD1 3.93Å; L411-L493 HydrophobicContact CD2-CD1 4Å; L411-L493 HydrophobicContact CD2-CD2 4.43Å
412	K	85.3	Confident	72.6	Confident	43 Å²	43	68.1 Å²	68.1	19%	0.187	36%	0.362	C	S	.	.			trans	-64	123.4	175.2	-67.7	-162.1	168.7	-178.7	0	109.7	H409 A410 D424 R482	H409-K412 WeakPolarHBondContact ND1-CE 3.49Å; H409-K412 WeakPolarHBondContact O-CB 3.42Å; H409-K412 VanDerWaalsContact O-CG 3.23Å; H409-K412 WeakPolarHBondContact O-CG 3.41Å; H409-K412 PolarHBondContact O-N 2.86Å; A410-K412 VanDerWaalsContact C-N 3.29Å; A410-K412 PolarHBondContact O-N 3.4Å; K412-D424 IonicContact NZ-OD2 3.64Å; K412-D424 PolarHBondContact NZ-OD2 2.82Å; K412-R482 VanDerWaalsContact CD-NH1 3.35Å
413	P	83.9	Confident	70.7	Confident	19 Å²	19	71 Å²	71	12%	0.123	38%	0.377	C	S	.	.			trans	-70.3	155	174.6	29.8	-34.2	0	0	0	110.5	L99 M102 I103 L411 V415	L99-P413 HydrophobicContact CD1-CB 4.13Å; L99-P413 HydrophobicContact CD1-CG 4.22Å; M102-P413 HydrophobicContact CB-CB 3.85Å; M102-P413 HydrophobicContact CE-CB 3.51Å; M102-P413 HydrophobicContact CE-CG 3.58Å; M102-P413 HydrophobicContact CG-CB 4.4Å; M102-P413 HydrophobicContact SD-CB 3.73Å; M102-P413 HydrophobicContact SD-CG 3.84Å; I103-P413 CarbonylContact O-C 3.49Å; I103-P413 WeakPolarHBondContact O-CA 3.25Å; L411-P413 WeakPolarHBondContact O-CD 3.47Å; P413-V415 WeakPolarHBondContact O-CG2 3.4Å; P413-V415 PolarHBondContact O-N 3.45Å; P413-V415 VanDerWaalsContact O-N 3.1Å
414	Q	73.8	Confident	69.1	Low	123 Å²	123	71.1 Å²	71.1	58%	0.575	38%	0.38	S	S	*	.			trans	-65.9	109.7	173.8	-168.7	175.3	3.3	0	0	109.1	I103 P105	I103-Q414 HydrophobicContact CB-CB 4.47Å; I103-Q414 PolarHBondContact O-N 3.23Å; P105-Q414 HydrophobicContact CG-CB 4.3Å
415	V	63.5	Low	67.5	Low	87 Å²	87	72.4 Å²	72.4	53%	0.527	40%	0.397	S	S	.	.			trans	-99.3	135.6	173.8	-157.1	0	0	0	0	108.5	P413 S417	P413-V415 WeakPolarHBondContact O-CG2 3.4Å; P413-V415 PolarHBondContact O-N 3.45Å; P413-V415 VanDerWaalsContact O-N 3.1Å; V415-S417 PolarHBondContact O-N 3.43Å; V415-S417 VanDerWaalsContact O-N 3.14Å
416	S	43.7	Very low	65.8	Low	125 Å²	125	73.8 Å²	73.8	87%	0.874	41%	0.406	S	S	*	.			trans	-73	5	-174.4	46.7	0	0	0	0	115.6
417	S	46.3	Very low	64.5	Low	53 Å²	53	75.4 Å²	75.4	37%	0.371	41%	0.414	S	S	.	.			trans	-98.7	118	-173.8	-169.5	0	0	0	0	113.1	V415 F419 T420	V415-S417 PolarHBondContact O-N 3.43Å; V415-S417 VanDerWaalsContact O-N 3.14Å; S417-F419 PolarHBondContact O-N 2.83Å; S417-F419 PolarHBondContact OG-N 2.89Å; S417-T420 PolarHBondContact O-OG1 3.03Å
418	I	42.8	Very low	63.2	Low	158 Å²	158	81.1 Å²	81.1	81%	0.81	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-27.7	172	-65	167.4	0	0	0	111	F422	I418-F422 PolarHBondContact O-N 2.53Å
419	F	42.6	Very low	61.7	Low	148 Å²	148	85.7 Å²	85.7	65%	0.649	45%	0.454	S	S	*	.	H	α-helix	trans	-73.2	-32.9	-175.2	-154	-98.9	0	0	0	113.2	S417 L423	S417-F419 PolarHBondContact O-N 2.83Å; S417-F419 PolarHBondContact OG-N 2.89Å; F419-L423 HydrophobicContact CD1-CD1 3.91Å; F419-L423 HydrophobicContact CE1-CD1 3.95Å; F419-L423 PolarHBondContact O-N 3.42Å
420	T	52.3	Low	60.3	Low	66 Å²	66	86.2 Å²	86.2	41%	0.405	45%	0.453	S	S	.	.	H	α-helix	trans	-72.7	-33.7	177.1	45.5	0	0	0	0	112.2	S417 F422 L423 D424	S417-T420 PolarHBondContact O-OG1 3.03Å; T420-F422 PolarHBondContact O-N 3.19Å; T420-L423 PolarHBondContact O-N 2.99Å; T420-D424 WeakPolarHBondContact O-CB 3.45Å; T420-D424 PolarHBondContact O-N 2.92Å
421	S	50.7	Low	59.1	Low	86 Å²	86	87.5 Å²	87.5	60%	0.601	46%	0.458	S	S	*	.	H	α-helix	trans	-63.6	-39.2	175.3	-172.3	0	0	0	0	112.4	D424 G425	S421-D424 PolarHBondContact O-N 3.04Å; S421-G425 PolarHBondContact O-N 3.24Å
422	F	41.4	Very low	57.8	Low	135 Å²	135	89.5 Å²	89.5	59%	0.592	47%	0.47	S	S	*	.	H	α-helix	trans	-65.4	-43.7	176.2	-177.3	-104.6	0	0	0	112.6	I418 T420 G425 L426	I418-F422 PolarHBondContact O-N 2.53Å; T420-F422 PolarHBondContact O-N 3.19Å; F422-G425 PolarHBondContact O-N 2.77Å; F422-L426 HydrophobicContact CD1-CD1 3.77Å; F422-L426 HydrophobicContact CE1-CD1 3.37Å; F422-L426 HydrophobicContact CE1-CG 4.44Å; F422-L426 HydrophobicContact CZ-CD1 3.8Å; F422-L426 PolarHBondContact O-N 2.96Å
423	L	53.6	Low	56.6	Low	75 Å²	75	94.9 Å²	94.9	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-39.1	175.2	-85.1	157.3	0	0	0	112.8	F419 T420 G425 L426 K427	F419-L423 HydrophobicContact CD1-CD1 3.91Å; F419-L423 HydrophobicContact CE1-CD1 3.95Å; F419-L423 PolarHBondContact O-N 3.42Å; T420-L423 PolarHBondContact O-N 2.99Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-L426 PolarHBondContact O-N 3.04Å; L423-K427 WeakPolarHBondContact O-CB 3.48Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 2.86Å
424	D	61.5	Low	55.4	Low	69 Å²	69	101.5 Å²	101.5	37%	0.369	52%	0.52	S	S	.	.	H	α-helix	trans	-65.8	-38.4	175.2	-88.2	4.5	0	0	0	111.2	K412 T420 S421 K428	K412-D424 IonicContact NZ-OD2 3.64Å; K412-D424 PolarHBondContact NZ-OD2 2.82Å; T420-D424 WeakPolarHBondContact O-CB 3.45Å; T420-D424 PolarHBondContact O-N 2.92Å; S421-D424 PolarHBondContact O-N 3.04Å; D424-K428 VanDerWaalsContact O-CB 3.26Å; D424-K428 WeakPolarHBondContact O-CB 3.49Å; D424-K428 PolarHBondContact O-N 3.02Å
425	G	57.5	Low	55.2	Low	40 Å²	40	100.3 Å²	100.3	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-45	172.3	0	0	0	0	0	113.2	S421 F422 L423 K428 F429	S421-G425 PolarHBondContact O-N 3.24Å; F422-G425 PolarHBondContact O-N 2.77Å; L423-G425 VanDerWaalsContact C-N 3.35Å; G425-K428 PolarHBondContact O-N 2.93Å; G425-F429 VanDerWaalsContact O-CB 3.3Å; G425-F429 WeakPolarHBondContact O-CB 3.37Å; G425-F429 PolarHBondContact O-N 2.97Å
426	L	54.2	Low	55.9	Low	87 Å²	87	99 Å²	99	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-40.7	176.4	-79.9	165.8	0	0	0	112.8	F422 L423 F429 Y430	F422-L426 HydrophobicContact CD1-CD1 3.77Å; F422-L426 HydrophobicContact CE1-CD1 3.37Å; F422-L426 HydrophobicContact CE1-CG 4.44Å; F422-L426 HydrophobicContact CZ-CD1 3.8Å; F422-L426 PolarHBondContact O-N 2.96Å; L423-L426 PolarHBondContact O-N 3.04Å; L426-F429 PolarHBondContact O-N 3.13Å; L426-Y430 WeakPolarHBondContact O-CB 3.45Å; L426-Y430 PolarHBondContact O-N 2.85Å
427	K	61.8	Low	57.8	Low	103 Å²	103	94 Å²	94	45%	0.448	48%	0.48	S	S	.	.	H	α-helix	trans	-64.9	-45.3	174.3	-76.7	177.1	-179	176.4	0	111.4	L423 F429 Y430 I431	L423-K427 WeakPolarHBondContact O-CB 3.48Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 2.86Å; K427-F429 VanDerWaalsContact C-N 3.3Å; K427-F429 PolarHBondContact O-N 2.9Å; K427-Y430 PolarHBondContact O-N 2.96Å; K427-I431 WeakPolarHBondContact O-CB 3.46Å; K427-I431 WeakPolarHBondContact O-CG1 3.37Å; K427-I431 PolarHBondContact O-N 2.91Å
428	K	63.6	Low	59.7	Low	149 Å²	149	94.7 Å²	94.7	65%	0.648	48%	0.479	S	S	*	.	H	α-helix	trans	-59.1	-44.1	175.2	-173.5	176.1	-178.9	178.7	0	110.6	D424 G425 T432	D424-K428 VanDerWaalsContact O-CB 3.26Å; D424-K428 WeakPolarHBondContact O-CB 3.49Å; D424-K428 PolarHBondContact O-N 3.02Å; G425-K428 PolarHBondContact O-N 2.93Å; K428-T432 WeakPolarHBondContact O-CB 3.46Å; K428-T432 VanDerWaalsContact O-CG2 3.29Å; K428-T432 WeakPolarHBondContact O-CG2 3.39Å; K428-T432 PolarHBondContact O-N 3.35Å; K428-T432 PolarHBondContact O-OG1 3.31Å
429	F	55.1	Low	61.6	Low	120 Å²	120	90 Å²	90	53%	0.526	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-48.5	174.8	-174.1	-93.3	0	0	0	111.9	G425 L426 K427 I431 T432 K433	G425-F429 VanDerWaalsContact O-CB 3.3Å; G425-F429 WeakPolarHBondContact O-CB 3.37Å; G425-F429 PolarHBondContact O-N 2.97Å; L426-F429 PolarHBondContact O-N 3.13Å; K427-F429 VanDerWaalsContact C-N 3.3Å; K427-F429 PolarHBondContact O-N 2.9Å; F429-I431 PolarHBondContact O-N 3.29Å; F429-T432 PolarHBondContact O-N 2.84Å; F429-K433 HydrophobicContact CD1-CB 4.45Å; F429-K433 HydrophobicContact CD2-CB 4.39Å; F429-K433 HydrophobicContact CD2-CG 3.87Å; F429-K433 HydrophobicContact CE1-CB 4.29Å; F429-K433 HydrophobicContact CE2-CB 4.23Å; F429-K433 HydrophobicContact CE2-CG 3.75Å; F429-K433 HydrophobicContact CG-CB 4.5Å; F429-K433 HydrophobicContact CG-CG 4.4Å; F429-K433 HydrophobicContact CZ-CB 4.18Å; F429-K433 HydrophobicContact CZ-CG 4.17Å; F429-K433 WeakPolarHBondContact O-CA 3.17Å; F429-K433 WeakPolarHBondContact O-CB 3.18Å; F429-K433 PolarHBondContact O-N 2.91Å
430	Y	56.4	Low	63.6	Low	112 Å²	112	88.1 Å²	88.1	44%	0.439	46%	0.456	S	S	.	.	I	π-helix	trans	-62.4	-45.2	179.8	-177.2	-99.7	0	0	0	112.7	L426 K427 F434 K435	L426-Y430 WeakPolarHBondContact O-CB 3.45Å; L426-Y430 PolarHBondContact O-N 2.85Å; K427-Y430 PolarHBondContact O-N 2.96Å; Y430-F434 HydrophobicContact CD2-CB 3.71Å; Y430-F434 HydrophobicContact CD2-CG 4.15Å; Y430-F434 HydrophobicContact CE2-CB 3.99Å; Y430-F434 HydrophobicContact CE2-CD1 4.19Å; Y430-F434 HydrophobicContact CE2-CG 4.21Å; Y430-F434 HydrophobicContact CG-CB 4.29Å; Y430-F434 CarbonylContact O-C 3.54Å; Y430-F434 WeakPolarHBondContact O-CA 3.09Å; Y430-F434 WeakPolarHBondContact O-CB 3.17Å; Y430-F434 PolarHBondContact O-N 3.13Å; Y430-K435 HydrophobicContact CD1-CG 4.21Å; Y430-K435 HydrophobicContact CE1-CD 4.47Å; Y430-K435 HydrophobicContact CE1-CG 3.72Å; Y430-K435 PolarHBondContact O-N 2.84Å; Y430-K435 VanDerWaalsContact OH-CE 3.22Å; Y430-K435 WeakPolarHBondContact OH-CE 3.21Å
431	I	63.1	Low	65.5	Low	37 Å²	37	91.4 Å²	91.4	19%	0.19	46%	0.461	C	S	.	.	I	π-helix	trans	-63.4	-44	179.5	-69.9	168.3	0	0	0	110.9	K427 F429 K435 G436 F437 L442	K427-I431 WeakPolarHBondContact O-CB 3.46Å; K427-I431 WeakPolarHBondContact O-CG1 3.37Å; K427-I431 PolarHBondContact O-N 2.91Å; F429-I431 PolarHBondContact O-N 3.29Å; I431-K435 CarbonylContact O-C 3.54Å; I431-G436 PolarHBondContact O-N 3.12Å; I431-G436 VanDerWaalsContact O-N 3.14Å; I431-F437 HydrophobicContact CG2-CB 3.69Å; I431-F437 HydrophobicContact CG2-CD2 4.03Å; I431-F437 HydrophobicContact CG2-CG 4.07Å; I431-F437 PolarHBondContact O-N 2.93Å; I431-L442 HydrophobicContact CG2-CD2 4.44Å
432	T	61.2	Low	67.5	Low	45 Å²	45	87.9 Å²	87.9	28%	0.276	44%	0.435	S	S	.	.	I	π-helix	trans	-88.2	-37.4	-173.4	58.7	0	0	0	0	113.9	K428 F429 P439	K428-T432 WeakPolarHBondContact O-CB 3.46Å; K428-T432 VanDerWaalsContact O-CG2 3.29Å; K428-T432 WeakPolarHBondContact O-CG2 3.39Å; K428-T432 PolarHBondContact O-N 3.35Å; K428-T432 PolarHBondContact O-OG1 3.31Å; F429-T432 PolarHBondContact O-N 2.84Å; T432-P439 HydrophobicContact CG2-CG 3.62Å
433	K	59.1	Low	70.1	Confident	155 Å²	155	81.4 Å²	81.4	67%	0.674	41%	0.407	S	S	*	.	I	π-helix	trans	-95.5	-34.2	-176.5	-68.5	-75.8	-174.3	177.4	0	113.6	F429	F429-K433 HydrophobicContact CD1-CB 4.45Å; F429-K433 HydrophobicContact CD2-CB 4.39Å; F429-K433 HydrophobicContact CD2-CG 3.87Å; F429-K433 HydrophobicContact CE1-CB 4.29Å; F429-K433 HydrophobicContact CE2-CB 4.23Å; F429-K433 HydrophobicContact CE2-CG 3.75Å; F429-K433 HydrophobicContact CG-CB 4.5Å; F429-K433 HydrophobicContact CG-CG 4.4Å; F429-K433 HydrophobicContact CZ-CB 4.18Å; F429-K433 HydrophobicContact CZ-CG 4.17Å; F429-K433 WeakPolarHBondContact O-CA 3.17Å; F429-K433 WeakPolarHBondContact O-CB 3.18Å; F429-K433 PolarHBondContact O-N 2.91Å
434	F	59.3	Low	72.1	Confident	158 Å²	158	78.2 Å²	78.2	69%	0.693	39%	0.39	S	S	*	.	I	π-helix	trans	-101.3	-33.7	-174.1	-125	-87.1	0	0	0	113.2	Y430	Y430-F434 HydrophobicContact CD2-CB 3.71Å; Y430-F434 HydrophobicContact CD2-CG 4.15Å; Y430-F434 HydrophobicContact CE2-CB 3.99Å; Y430-F434 HydrophobicContact CE2-CD1 4.19Å; Y430-F434 HydrophobicContact CE2-CG 4.21Å; Y430-F434 HydrophobicContact CG-CB 4.29Å; Y430-F434 CarbonylContact O-C 3.54Å; Y430-F434 WeakPolarHBondContact O-CA 3.09Å; Y430-F434 WeakPolarHBondContact O-CB 3.17Å; Y430-F434 PolarHBondContact O-N 3.13Å
435	K	69.3	Low	73.8	Confident	99 Å²	99	75 Å²	75	43%	0.43	37%	0.373	S	S	.	.	S	Bend	trans	-101.5	-11.5	175.3	-68.7	-72.1	-176.7	-179.6	0	113.8	Y430 I431 F437 L473	Y430-K435 HydrophobicContact CD1-CG 4.21Å; Y430-K435 HydrophobicContact CE1-CD 4.47Å; Y430-K435 HydrophobicContact CE1-CG 3.72Å; Y430-K435 PolarHBondContact O-N 2.84Å; Y430-K435 VanDerWaalsContact OH-CE 3.22Å; Y430-K435 WeakPolarHBondContact OH-CE 3.21Å; I431-K435 CarbonylContact O-C 3.54Å; K435-F437 VanDerWaalsContact C-N 3.3Å; K435-F437 HydrophobicContact CB-CD1 4.08Å; K435-F437 HydrophobicContact CB-CE1 4.13Å; K435-F437 WeakPolarHBondContact O-CD1 3.1Å; K435-F437 PolarHBondContact O-N 3.33Å; K435-L473 HydrophobicContact CB-CD1 4.31Å; K435-L473 HydrophobicContact CD-CD1 4.23Å; K435-L473 HydrophobicContact CG-CD1 3.84Å
436	G	78.2	Confident	75.7	Confident	59 Å²	59	73.3 Å²	73.3	61%	0.608	36%	0.355	S	S	*	.			trans	68.1	23.2	173.7	0	0	0	0	0	114.7	I431 D438	I431-G436 PolarHBondContact O-N 3.12Å; I431-G436 VanDerWaalsContact O-N 3.14Å; G436-D438 PolarHBondContact O-N 3.22Å
437	F	84.2	Confident	77.8	Confident	20 Å²	20	69.4 Å²	69.4	9%	0.088	34%	0.335	C	S	.	.			trans	-72.5	132.5	177.6	-74.7	21.1	0	0	0	109.4	V373 F374 P375 I431 K435 P439 G471 L473	V373-F437 HydrophobicContact CG1-CD2 3.91Å; V373-F437 HydrophobicContact CG1-CE2 3.98Å; F374-F437 VanDerWaalsContact C-CE2 3.48Å; P375-F437 HydrophobicContact CB-CD1 4.29Å; P375-F437 HydrophobicContact CB-CE1 4.17Å; P375-F437 HydrophobicContact CB-CE2 4.49Å; P375-F437 HydrophobicContact CB-CZ 4.28Å; P375-F437 HydrophobicContact CG-CD1 4.3Å; P375-F437 HydrophobicContact CG-CE1 3.69Å; P375-F437 HydrophobicContact CG-CE2 4.1Å; P375-F437 HydrophobicContact CG-CZ 3.58Å; I431-F437 HydrophobicContact CG2-CB 3.69Å; I431-F437 HydrophobicContact CG2-CD2 4.03Å; I431-F437 HydrophobicContact CG2-CG 4.07Å; I431-F437 PolarHBondContact O-N 2.93Å; K435-F437 VanDerWaalsContact C-N 3.3Å; K435-F437 HydrophobicContact CB-CD1 4.08Å; K435-F437 HydrophobicContact CB-CE1 4.13Å; K435-F437 WeakPolarHBondContact O-CD1 3.1Å; K435-F437 PolarHBondContact O-N 3.33Å; F437-P439 VanDerWaalsContact O-CD 3.29Å; F437-P439 WeakPolarHBondContact O-CD 3.29Å; F437-G471 WeakPolarHBondContact CZ-O 3.49Å; F437-L473 HydrophobicContact CE1-CD1 4.47Å; F437-L473 HydrophobicContact CE2-CD1 4.18Å; F437-L473 HydrophobicContact CZ-CD1 3.87Å; F437-L473 HydrophobicContact CZ-CG 4.2Å
438	D	84.9	Confident	79.6	Confident	67 Å²	67	64.5 Å²	64.5	36%	0.358	31%	0.313	S	S	.	.			trans	-75.3	116.7	173	-179	-6.6	0	0	0	109.8	G436 N440 R441 L442	G436-D438 PolarHBondContact O-N 3.22Å; D438-N440 PolarHBondContact O-N 2.91Å; D438-N440 WeakPolarHBondContact OD1-CB 3.44Å; D438-N440 PolarHBondContact OD1-N 3.12Å; D438-N440 PolarHBondContact OD1-ND2 3.42Å; D438-R441 HydrophobicContact CB-CB 4.13Å; D438-R441 HydrophobicContact CB-CG 4.24Å; D438-R441 PolarHBondContact O-N 3.35Å; D438-R441 WeakPolarHBondContact OD2-CG 3.19Å; D438-L442 PolarHBondContact O-N 3.42Å
439	P	83.1	Confident	81.3	Confident	60 Å²	60	57.5 Å²	57.5	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.1	177	-25.7	36.2	0	0	0	114.8	N402 T432 F437	N402-P439 PolarHBondContact ND2-O 3.35Å; T432-P439 HydrophobicContact CG2-CG 3.62Å; F437-P439 VanDerWaalsContact O-CD 3.29Å; F437-P439 WeakPolarHBondContact O-CD 3.29Å
440	N	86.3	Confident	83.3	Confident	108 Å²	108	52.4 Å²	52.4	58%	0.578	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-5	-179.9	-59.6	-53.6	0	0	0	113.2	N402 D438	N402-N440 VanDerWaalsContact CG-C 3.45Å; N402-N440 PolarHBondContact OD1-O 3.24Å; D438-N440 PolarHBondContact O-N 2.91Å; D438-N440 WeakPolarHBondContact OD1-CB 3.44Å; D438-N440 PolarHBondContact OD1-N 3.12Å; D438-N440 PolarHBondContact OD1-ND2 3.42Å
441	R	91.8	Very high	85.3	Confident	136 Å²	136	47.7 Å²	47.7	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-25.6	179.8	-63.5	-171.7	66.7	-174.3	-0.3	113.7	P375 N376 D438	P375-R441 CarbonylContact O-C 3.52Å; N376-R441 WeakPolarHBondContact CA-O 3.06Å; D438-R441 HydrophobicContact CB-CB 4.13Å; D438-R441 HydrophobicContact CB-CG 4.24Å; D438-R441 PolarHBondContact O-N 3.35Å; D438-R441 WeakPolarHBondContact OD2-CG 3.19Å
442	L	92.6	Very high	87	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.058	26%	0.258	C	S	.	.			trans	-55.1	150.3	-178.4	68.2	77.4	0	0	0	111.9	V373 F374 P375 N402 F405 I431 D438	V373-L442 HydrophobicContact CG1-CB 4.29Å; V373-L442 HydrophobicContact CG1-CD1 4.4Å; F374-L442 WeakPolarHBondContact O-CA 3.17Å; F374-L442 WeakPolarHBondContact O-CB 3.27Å; P375-L442 WeakPolarHBondContact O-CA 2.94Å; P375-L442 PolarHBondContact O-N 2.87Å; N402-L442 WeakPolarHBondContact CA-O 3.25Å; N402-L442 VanDerWaalsContact CB-O 3.27Å; N402-L442 WeakPolarHBondContact CB-O 3.42Å; N402-L442 PolarHBondContact ND2-O 3.36Å; F405-L442 HydrophobicContact CD1-CD1 3.45Å; F405-L442 VanDerWaalsContact CD1-CD1 3.45Å; F405-L442 HydrophobicContact CE1-CD1 3.54Å; F405-L442 HydrophobicContact CG-CD1 4.05Å; F405-L442 HydrophobicContact CZ-CD1 4.18Å; I431-L442 HydrophobicContact CG2-CD2 4.44Å; D438-L442 PolarHBondContact O-N 3.42Å
443	C	95.2	Very high	88.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	165.1	178.7	76.2	0	0	0	0	109.6	V373 F374 N376 F377 M400	V373-C443 WeakPolarHBondContact CA-O 3.27Å; F374-C443 PolarHBondContact N-O 3.4Å; F374-C443 PolarHBondContact O-N 2.92Å; N376-C443 VanDerWaalsContact C-SG 3.52Å; N376-C443 PolarHBondContact O-SG 2.76Å; F377-C443 HydrophobicContact CD2-CB 4.22Å; M400-C443 VanDerWaalsContact O-CB 3.26Å; M400-C443 WeakPolarHBondContact O-CB 3.42Å
444	V	95.8	Very high	90.6	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.7	-173.6	-178.6	0	0	0	0	111.3	V372 V373 M400 F405	V372-V444 CarbonylContact O-C 3.35Å; V372-V444 VanDerWaalsContact O-CA 3.29Å; V372-V444 WeakPolarHBondContact O-CA 3.24Å; V373-V444 HydrophobicContact CG2-CG2 3.84Å; M400-V444 HydrophobicContact CG-CB 4.09Å; M400-V444 WeakPolarHBondContact CG-O 3.47Å; M400-V444 PolarHBondContact N-O 3.04Å; M400-V444 PolarHBondContact O-N 2.9Å; M400-V444 HydrophobicContact SD-CB 4.23Å; F405-V444 HydrophobicContact CB-CG2 4.47Å; F405-V444 HydrophobicContact CD2-CB 4.22Å; F405-V444 HydrophobicContact CD2-CG2 3.37Å; F405-V444 HydrophobicContact CE2-CG2 3.73Å; F405-V444 HydrophobicContact CG-CG2 3.99Å
445	A	97.9	Very high	92.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133	164	0	0	0	0	0	110.2	S371 V372 F374 R398 L399	S371-A445 CarbonylContact C-O 3.58Å; S371-A445 WeakPolarHBondContact CA-O 3.43Å; S371-A445 WeakPolarHBondContact CB-O 3.41Å; V372-A445 HydrophobicContact CB-CB 4.41Å; V372-A445 PolarHBondContact N-O 3.48Å; V372-A445 PolarHBondContact O-N 3.32Å; F374-A445 HydrophobicContact CE2-CB 3.9Å; R398-A445 CarbonylContact O-C 3.54Å; R398-A445 VanDerWaalsContact O-CA 3.24Å; R398-A445 WeakPolarHBondContact O-CA 3.37Å; L399-A445 HydrophobicContact CD1-CB 4.05Å
446	T	97.4	Very high	93.9	Very high	6 Å²	6	48 Å²	48	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	141.8	165.3	57.7	0	0	0	0	109.5	I397 R398 M400	I397-T446 WeakPolarHBondContact CA-O 2.95Å; R398-T446 PolarHBondContact N-O 3.03Å; R398-T446 PolarHBondContact NE-OG1 2.8Å; R398-T446 PolarHBondContact NH2-OG1 3.39Å; R398-T446 PolarHBondContact O-N 2.98Å; M400-T446 HydrophobicContact CE-CG2 3.65Å
447	L	98.4	Very high	94.8	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.6	-174.2	-51.8	174.3	0	0	0	109.9	Y369 G370 V372 P394 S396 I397 F449 V463 Y464	Y369-L447 WeakPolarHBondContact CA-O 3.45Å; G370-L447 PolarHBondContact N-O 2.85Å; G370-L447 PolarHBondContact O-N 3.44Å; V372-L447 HydrophobicContact CG2-CD1 4.04Å; P394-L447 HydrophobicContact CG-CD2 4.16Å; S396-L447 WeakPolarHBondContact O-CA 3.36Å; I397-L447 HydrophobicContact CB-CD2 3.94Å; I397-L447 HydrophobicContact CD1-CD2 3.66Å; I397-L447 HydrophobicContact CG1-CD2 3.57Å; L447-F449 HydrophobicContact CB-CD2 4.38Å; L447-F449 HydrophobicContact CB-CE2 3.71Å; L447-F449 HydrophobicContact CB-CZ 4.46Å; L447-F449 HydrophobicContact CD1-CE2 4Å; L447-F449 HydrophobicContact CD1-CZ 4.23Å; L447-F449 HydrophobicContact CG-CE2 4.44Å; L447-V463 HydrophobicContact CD1-CG1 4.14Å; L447-V463 HydrophobicContact CD2-CG1 4.47Å; L447-Y464 HydrophobicContact CD1-CE2 4.5Å
448	L	98.6	Very high	95.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.5	165.1	172	62.2	0	0	0	108.6	K301 Q367 Y369 P394 A395 S396 Y484	K301-L448 HydrophobicContact CD-CD2 3.97Å; K301-L448 HydrophobicContact CG-CD2 4.36Å; Q367-L448 HydrophobicContact CB-CD1 4.34Å; Y369-L448 HydrophobicContact CD1-CB 4.48Å; Y369-L448 HydrophobicContact CD1-CD1 3.96Å; Y369-L448 HydrophobicContact CE1-CD1 3.75Å; Y369-L448 HydrophobicContact CE1-CG 4.5Å; Y369-L448 HydrophobicContact CE2-CD1 4.32Å; Y369-L448 HydrophobicContact CG-CD1 4.35Å; P394-L448 WeakPolarHBondContact CB-O 3.26Å; A395-L448 WeakPolarHBondContact CA-O 3.32Å; A395-L448 HydrophobicContact CB-CG 4.45Å; A395-L448 WeakPolarHBondContact CB-O 3.39Å; A395-L448 PolarHBondContact N-O 2.93Å; S396-L448 PolarHBondContact N-O 3.25Å; S396-L448 PolarHBondContact O-N 2.78Å; L448-Y484 HydrophobicContact CB-CD2 4.34Å; L448-Y484 HydrophobicContact CB-CE2 4.25Å; L448-Y484 HydrophobicContact CD2-CD2 4.05Å; L448-Y484 HydrophobicContact CD2-CE1 4.42Å; L448-Y484 HydrophobicContact CD2-CE2 3.39Å; L448-Y484 HydrophobicContact CG-CE2 4.44Å
449	F	98.7	Very high	96.2	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.7	171	-57.9	-102.7	0	0	0	109.1	Q367 K368 P394 L447 V456 H459 E460 V463	Q367-F449 CarbonylContact C-O 3.59Å; Q367-F449 WeakPolarHBondContact CA-O 3.39Å; K368-F449 HydrophobicContact CB-CB 4.4Å; K368-F449 PolarHBondContact N-O 3.39Å; K368-F449 PolarHBondContact O-N 2.93Å; P394-F449 HydrophobicContact CB-CD1 3.57Å; P394-F449 HydrophobicContact CB-CD2 4.3Å; P394-F449 HydrophobicContact CB-CE1 3.47Å; P394-F449 VanDerWaalsContact CB-CE1 3.47Å; P394-F449 HydrophobicContact CB-CE2 4.21Å; P394-F449 HydrophobicContact CB-CG 3.98Å; P394-F449 HydrophobicContact CB-CZ 3.78Å; P394-F449 HydrophobicContact CG-CE1 4.39Å; P394-F449 HydrophobicContact CG-CZ 4.32Å; L447-F449 HydrophobicContact CB-CD2 4.38Å; L447-F449 HydrophobicContact CB-CE2 3.71Å; L447-F449 HydrophobicContact CB-CZ 4.46Å; L447-F449 HydrophobicContact CD1-CE2 4Å; L447-F449 HydrophobicContact CD1-CZ 4.23Å; L447-F449 HydrophobicContact CG-CE2 4.44Å; F449-V456 HydrophobicContact CB-CG1 3.67Å; F449-V456 HydrophobicContact CB-CG2 4.47Å; F449-H459 HydrophobicContact CD1-CB 4.23Å; F449-H459 AromaticContact CD1-CG 3.92Å; F449-H459 AromaticContact CD1-ND1 3.79Å; F449-H459 HydrophobicContact CE1-CB 4.36Å; F449-H459 AromaticContact CE1-CG 3.91Å; F449-E460 HydrophobicContact CD1-CB 4.48Å; F449-E460 HydrophobicContact CD2-CB 4.48Å; F449-E460 HydrophobicContact CE1-CB 4.25Å; F449-E460 HydrophobicContact CE2-CB 4.28Å; F449-E460 HydrophobicContact CE2-CG 4.19Å; F449-E460 HydrophobicContact CZ-CB 4.18Å; F449-E460 HydrophobicContact CZ-CG 4.38Å; F449-V463 HydrophobicContact CE1-CB 4.26Å; F449-V463 HydrophobicContact CE1-CG2 3.88Å; F449-V463 HydrophobicContact CZ-CB 3.93Å; F449-V463 HydrophobicContact CZ-CG1 4.23Å; F449-V463 HydrophobicContact CZ-CG2 4.01Å
450	E	98.5	Very high	96.9	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.4	173.3	66	-175.3	-144.1	0	0	112.9	K301 I304 Y305 P364 Y366 Q367 A395	K301-E450 WeakPolarHBondContact CD-OE1 3.44Å; K301-E450 WeakPolarHBondContact CD-OE2 3.47Å; K301-E450 VanDerWaalsContact CE-OE1 3.31Å; K301-E450 WeakPolarHBondContact CE-OE1 3.41Å; K301-E450 IonicContact NZ-OE1 3Å; K301-E450 PolarHBondContact NZ-OE1 3.08Å; K301-E450 IonicContact NZ-OE2 3.83Å; K301-E450 PolarHBondContact NZ-OE2 2.79Å; I304-E450 HydrophobicContact CD1-CG 3.85Å; Y305-E450 WeakPolarHBondContact CE2-OE1 3.23Å; Y305-E450 PolarHBondContact OH-OE1 3.13Å; P364-E450 HydrophobicContact CB-CB 3.89Å; P364-E450 HydrophobicContact CB-CG 4.28Å; P364-E450 HydrophobicContact CG-CB 4.26Å; P364-E450 HydrophobicContact CG-CG 4.46Å; Y366-E450 CarbonylContact O-C 3.58Å; Y366-E450 VanDerWaalsContact O-CA 3.23Å; Y366-E450 WeakPolarHBondContact O-CA 3.43Å; Q367-E450 HydrophobicContact CG-CB 3.79Å; Q367-E450 PolarHBondContact NE2-OE2 3.43Å; A395-E450 HydrophobicContact CB-CG 3.89Å
451	G	98.3	Very high	97.5	Very high	13 Å²	13	51.8 Å²	51.8	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.4	-158.1	-176.7	0	0	0	0	0	112.3	Y366 R453	Y366-G451 PolarHBondContact N-O 3.09Å; Y366-G451 PolarHBondContact O-N 3.05Å; G451-R453 PolarHBondContact O-N 3.04Å
452	P	98.2	Very high	97.8	Very high	67 Å²	67	49.1 Å²	49.1	44%	0.435	23%	0.232	S	C	.	.	S	Bend	trans	-60.2	134.2	174.4	-23.4	34.6	0	0	0	111.4	E454 K455 V456	P452-E454 VanDerWaalsContact C-N 3.33Å; P452-E454 PolarHBondContact O-N 2.86Å; P452-K455 HydrophobicContact CG-CD 4.36Å; P452-K455 PolarHBondContact O-N 2.94Å; P452-K455 VanDerWaalsContact O-N 3.1Å; P452-V456 PolarHBondContact O-N 3.26Å
453	R	98.1	Very high	98.1	Very high	144 Å²	144	48.8 Å²	48.8	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-53.5	-45.7	-169.5	-176.6	176.6	179.2	-172.3	-0.6	113.6	Y366 G451 K455 V456 L457	Y366-R453 HydrophobicContact CD1-CB 4.2Å; Y366-R453 HydrophobicContact CD1-CG 3.89Å; Y366-R453 HydrophobicContact CD2-CG 4.47Å; Y366-R453 HydrophobicContact CE1-CG 4.24Å; Y366-R453 HydrophobicContact CG-CB 4.11Å; Y366-R453 HydrophobicContact CG-CG 4.01Å; G451-R453 PolarHBondContact O-N 3.04Å; R453-K455 PolarHBondContact O-N 3.37Å; R453-V456 PolarHBondContact O-N 3.38Å; R453-L457 HydrophobicContact CG-CD1 4.22Å; R453-L457 WeakPolarHBondContact O-CG 3.49Å; R453-L457 PolarHBondContact O-N 3.17Å; R453-L457 VanDerWaalsContact O-N 3.07Å
454	E	98.1	Very high	98.3	Very high	141 Å²	141	50.8 Å²	50.8	66%	0.659	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-45	-178.8	-171.9	-175.1	170.2	0	0	112.1	P452 V456 L457 Q458	P452-E454 VanDerWaalsContact C-N 3.33Å; P452-E454 PolarHBondContact O-N 2.86Å; E454-V456 VanDerWaalsContact C-N 3.34Å; E454-V456 PolarHBondContact O-N 3.36Å; E454-L457 PolarHBondContact O-N 3.38Å; E454-Q458 WeakPolarHBondContact O-CG 3.46Å; E454-Q458 PolarHBondContact O-N 2.83Å; E454-Q458 VanDerWaalsContact O-N 3.08Å; E454-Q458 PolarHBondContact OE1-NE2 2.94Å
455	K	98.3	Very high	98.4	Very high	142 Å²	142	54.2 Å²	54.2	62%	0.617	26%	0.256	S	S	*	.	H	α-helix	trans	-64.6	-40.8	177.9	-68.8	-173.5	176.8	-178.1	0	111.5	P452 R453 L457 Q458 H459	P452-K455 HydrophobicContact CG-CD 4.36Å; P452-K455 PolarHBondContact O-N 2.94Å; P452-K455 VanDerWaalsContact O-N 3.1Å; R453-K455 PolarHBondContact O-N 3.37Å; K455-L457 PolarHBondContact O-N 2.95Å; K455-Q458 PolarHBondContact O-N 3.32Å; K455-H459 WeakPolarHBondContact O-CB 3.39Å; K455-H459 PolarHBondContact O-N 3.14Å
456	V	98.7	Very high	98.5	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-47.1	176.6	165.5	0	0	0	0	111	Y366 K368 F449 P452 R453 E454 H459 E460	Y366-V456 HydrophobicContact CD1-CB 3.94Å; Y366-V456 HydrophobicContact CD1-CG1 3.64Å; Y366-V456 HydrophobicContact CD1-CG2 4.38Å; Y366-V456 HydrophobicContact CE1-CB 4.5Å; Y366-V456 HydrophobicContact CE1-CG1 3.82Å; K368-V456 HydrophobicContact CB-CG1 3.73Å; F449-V456 HydrophobicContact CB-CG1 3.67Å; F449-V456 HydrophobicContact CB-CG2 4.47Å; P452-V456 PolarHBondContact O-N 3.26Å; R453-V456 PolarHBondContact O-N 3.38Å; E454-V456 VanDerWaalsContact C-N 3.34Å; E454-V456 PolarHBondContact O-N 3.36Å; V456-H459 PolarHBondContact O-N 3.37Å; V456-E460 VanDerWaalsContact O-CB 3.26Å; V456-E460 WeakPolarHBondContact O-CB 3.33Å; V456-E460 PolarHBondContact O-N 3.14Å
457	L	98.4	Very high	98.5	Very high	73 Å²	73	54.1 Å²	54.1	38%	0.382	26%	0.256	S	S	.	.	H	α-helix	trans	-68.3	-37.4	-178.7	-64.9	174.8	0	0	0	112.8	Y366 R453 E454 K455 K461	Y366-L457 HydrophobicContact CE1-CD2 4.31Å; R453-L457 HydrophobicContact CG-CD1 4.22Å; R453-L457 WeakPolarHBondContact O-CG 3.49Å; R453-L457 PolarHBondContact O-N 3.17Å; R453-L457 VanDerWaalsContact O-N 3.07Å; E454-L457 PolarHBondContact O-N 3.38Å; K455-L457 PolarHBondContact O-N 2.95Å; L457-K461 PolarHBondContact O-N 2.67Å; L457-K461 VanDerWaalsContact O-N 3.11Å
458	Q	98.6	Very high	98.5	Very high	116 Å²	116	56.8 Å²	56.8	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-44.4	174.2	-70.5	173.7	7.6	0	0	111.5	E454 K455 K461 Q462	E454-Q458 WeakPolarHBondContact O-CG 3.46Å; E454-Q458 PolarHBondContact O-N 2.83Å; E454-Q458 VanDerWaalsContact O-N 3.08Å; E454-Q458 PolarHBondContact OE1-NE2 2.94Å; K455-Q458 PolarHBondContact O-N 3.32Å; Q458-K461 PolarHBondContact O-N 3.07Å; Q458-Q462 PolarHBondContact O-N 3.21Å
459	H	98.7	Very high	98.5	Very high	50 Å²	50	64.2 Å²	64.2	23%	0.231	31%	0.311	C	S	.	.	H	α-helix	trans	-66.9	-40.7	178.7	-172.2	-169.7	0	0	0	111.8	C392 A393 F449 K455 V456 K461 Q462 V463	C392-H459 PolarHBondContact O-NE2 3.43Å; A393-H459 PolarHBondContact O-CE1 2.69Å; A393-H459 VanDerWaalsContact O-CE1 3.31Å; F449-H459 HydrophobicContact CD1-CB 4.23Å; F449-H459 AromaticContact CD1-CG 3.92Å; F449-H459 AromaticContact CD1-ND1 3.79Å; F449-H459 HydrophobicContact CE1-CB 4.36Å; F449-H459 AromaticContact CE1-CG 3.91Å; K455-H459 WeakPolarHBondContact O-CB 3.39Å; K455-H459 PolarHBondContact O-N 3.14Å; V456-H459 PolarHBondContact O-N 3.37Å; H459-K461 PolarHBondContact O-N 2.95Å; H459-Q462 WeakPolarHBondContact O-CB 3.44Å; H459-Q462 PolarHBondContact O-N 3.1Å; H459-V463 WeakPolarHBondContact O-CG2 3.31Å; H459-V463 PolarHBondContact O-N 3.43Å
460	E	98.6	Very high	98.5	Very high	29 Å²	29	66.2 Å²	66.2	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-54.3	-53.1	172.5	-178.8	179.1	-155.3	0	0	110.5	K368 F449 V456 Q462 V463 Y464	K368-E460 WeakPolarHBondContact CE-OE1 3.29Å; F449-E460 HydrophobicContact CD1-CB 4.48Å; F449-E460 HydrophobicContact CD2-CB 4.48Å; F449-E460 HydrophobicContact CE1-CB 4.25Å; F449-E460 HydrophobicContact CE2-CB 4.28Å; F449-E460 HydrophobicContact CE2-CG 4.19Å; F449-E460 HydrophobicContact CZ-CB 4.18Å; F449-E460 HydrophobicContact CZ-CG 4.38Å; V456-E460 VanDerWaalsContact O-CB 3.26Å; V456-E460 WeakPolarHBondContact O-CB 3.33Å; V456-E460 PolarHBondContact O-N 3.14Å; E460-Q462 VanDerWaalsContact C-N 3.33Å; E460-Q462 PolarHBondContact O-N 3.32Å; E460-V463 PolarHBondContact O-N 3.38Å; E460-Y464 HydrophobicContact CG-CD2 3.65Å; E460-Y464 HydrophobicContact CG-CE2 3.46Å; E460-Y464 VanDerWaalsContact CG-CE2 3.46Å; E460-Y464 VanDerWaalsContact O-CD2 3.23Å; E460-Y464 WeakPolarHBondContact O-CD2 3.23Å; E460-Y464 PolarHBondContact O-N 2.97Å
461	K	98.5	Very high	98.3	Very high	126 Å²	126	67 Å²	67	55%	0.548	33%	0.332	S	S	.	.	H	α-helix	trans	-56	-46.4	177.3	-175.7	-175.7	178.3	-62.5	0	111.8	L457 Q458 H459 V463 Y464 D465	L457-K461 PolarHBondContact O-N 2.67Å; L457-K461 VanDerWaalsContact O-N 3.11Å; Q458-K461 PolarHBondContact O-N 3.07Å; H459-K461 PolarHBondContact O-N 2.95Å; K461-V463 VanDerWaalsContact C-N 3.34Å; K461-V463 PolarHBondContact O-N 2.91Å; K461-Y464 PolarHBondContact O-N 3.05Å; K461-D465 IonicContact NZ-OD1 2.91Å; K461-D465 IonicContact NZ-OD2 3.91Å; K461-D465 PolarHBondContact NZ-OD2 3.49Å; K461-D465 WeakPolarHBondContact O-CB 3.27Å; K461-D465 PolarHBondContact O-N 3.02Å
462	Q	98.8	Very high	98.2	Very high	81 Å²	81	66.9 Å²	66.9	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-45.7	179.2	-176.7	-175.8	8.3	0	0	112	Q458 H459 E460 D465 I466	Q458-Q462 PolarHBondContact O-N 3.21Å; H459-Q462 WeakPolarHBondContact O-CB 3.44Å; H459-Q462 PolarHBondContact O-N 3.1Å; E460-Q462 VanDerWaalsContact C-N 3.33Å; E460-Q462 PolarHBondContact O-N 3.32Å; Q462-D465 PolarHBondContact O-N 3.29Å; Q462-I466 HydrophobicContact CG-CD1 4.32Å; Q462-I466 WeakPolarHBondContact O-CG1 3.37Å; Q462-I466 PolarHBondContact O-N 3.1Å
463	V	98.8	Very high	98	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-40.9	-179.5	173.2	0	0	0	0	111.3	V387 C392 L447 F449 H459 E460 K461 I466 A467	V387-V463 HydrophobicContact CG2-CG1 4.49Å; C392-V463 WeakPolarHBondContact O-CG2 3.26Å; L447-V463 HydrophobicContact CD1-CG1 4.14Å; L447-V463 HydrophobicContact CD2-CG1 4.47Å; F449-V463 HydrophobicContact CE1-CB 4.26Å; F449-V463 HydrophobicContact CE1-CG2 3.88Å; F449-V463 HydrophobicContact CZ-CB 3.93Å; F449-V463 HydrophobicContact CZ-CG1 4.23Å; F449-V463 HydrophobicContact CZ-CG2 4.01Å; H459-V463 WeakPolarHBondContact O-CG2 3.31Å; H459-V463 PolarHBondContact O-N 3.43Å; E460-V463 PolarHBondContact O-N 3.38Å; K461-V463 VanDerWaalsContact C-N 3.34Å; K461-V463 PolarHBondContact O-N 2.91Å; V463-I466 PolarHBondContact O-N 2.74Å; V463-A467 WeakPolarHBondContact O-CB 3.45Å; V463-A467 PolarHBondContact O-N 2.93Å
464	Y	98.6	Very high	97.7	Very high	43 Å²	43	62.7 Å²	62.7	17%	0.169	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-37.7	174.9	-79.1	-72.6	0	0	0	112.7	G370 S371 V372 L447 E460 K461 I466 A467 A468 A474	G370-Y464 WeakPolarHBondContact CA-OH 2.78Å; S371-Y464 PolarHBondContact N-OH 3.38Å; V372-Y464 HydrophobicContact CG2-CD1 3.83Å; V372-Y464 HydrophobicContact CG2-CE1 3.56Å; L447-Y464 HydrophobicContact CD1-CE2 4.5Å; E460-Y464 HydrophobicContact CG-CD2 3.65Å; E460-Y464 HydrophobicContact CG-CE2 3.46Å; E460-Y464 VanDerWaalsContact CG-CE2 3.46Å; E460-Y464 VanDerWaalsContact O-CD2 3.23Å; E460-Y464 WeakPolarHBondContact O-CD2 3.23Å; E460-Y464 PolarHBondContact O-N 2.97Å; K461-Y464 PolarHBondContact O-N 3.05Å; Y464-I466 VanDerWaalsContact C-N 3.31Å; Y464-I466 PolarHBondContact O-N 3.46Å; Y464-A467 PolarHBondContact O-N 3.19Å; Y464-A468 PolarHBondContact O-N 2.9Å; Y464-A474 HydrophobicContact CD1-CB 3.92Å; Y464-A474 HydrophobicContact CE1-CB 3.56Å
465	D	98.7	Very high	97.2	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-37.1	175.5	-72.3	-18.5	0	0	0	111.6	K461 Q462	K461-D465 IonicContact NZ-OD1 2.91Å; K461-D465 IonicContact NZ-OD2 3.91Å; K461-D465 PolarHBondContact NZ-OD2 3.49Å; K461-D465 WeakPolarHBondContact O-CB 3.27Å; K461-D465 PolarHBondContact O-N 3.02Å; Q462-D465 PolarHBondContact O-N 3.29Å
466	I	98.8	Very high	96.5	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-50	171.5	-67.1	165.4	0	0	0	109.7	E386 V387 C392 Q462 V463 Y464 A468 K469 F470	E386-I466 HydrophobicContact CB-CG2 4.11Å; E386-I466 HydrophobicContact CG-CG2 3.67Å; V387-I466 HydrophobicContact CG2-CB 4.42Å; V387-I466 HydrophobicContact CG2-CD1 4.23Å; V387-I466 HydrophobicContact CG2-CG2 3.91Å; C392-I466 WeakPolarHBondContact SG-CD1 3.47Å; Q462-I466 HydrophobicContact CG-CD1 4.32Å; Q462-I466 WeakPolarHBondContact O-CG1 3.37Å; Q462-I466 PolarHBondContact O-N 3.1Å; V463-I466 PolarHBondContact O-N 2.74Å; Y464-I466 VanDerWaalsContact C-N 3.31Å; Y464-I466 PolarHBondContact O-N 3.46Å; I466-A468 VanDerWaalsContact C-N 3.27Å; I466-A468 PolarHBondContact O-N 2.66Å; I466-K469 WeakPolarHBondContact O-CB 3.33Å; I466-K469 PolarHBondContact O-N 3.16Å; I466-F470 HydrophobicContact CG2-CD2 4.47Å; I466-F470 HydrophobicContact CG2-CE2 4.12Å; I466-F470 WeakPolarHBondContact O-CD2 3.44Å
467	A	98.5	Very high	96	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-38.3	-177.9	0	0	0	0	0	113.1	V372 F374 C383 V463 Y464 K469 F470 G471 G472	V372-A467 HydrophobicContact CG1-CB 3.96Å; V372-A467 HydrophobicContact CG2-CB 4.22Å; F374-A467 HydrophobicContact CE1-CB 4.16Å; F374-A467 HydrophobicContact CZ-CB 4.08Å; C383-A467 VanDerWaalsContact SG-CA 3.56Å; V463-A467 WeakPolarHBondContact O-CB 3.45Å; V463-A467 PolarHBondContact O-N 2.93Å; Y464-A467 PolarHBondContact O-N 3.19Å; A467-K469 PolarHBondContact O-N 3.44Å; A467-F470 CarbonylContact O-C 3.6Å; A467-F470 PolarHBondContact O-N 3.44Å; A467-G471 PolarHBondContact O-N 3.34Å; A467-G472 WeakPolarHBondContact O-CA 3.29Å; A467-G472 PolarHBondContact O-N 2.97Å
468	A	98.2	Very high	95.3	Very high	60 Å²	60	56.3 Å²	56.3	50%	0.496	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-32.8	176.6	0	0	0	0	0	112.9	Y464 I466 F470 G471	Y464-A468 PolarHBondContact O-N 2.9Å; I466-A468 VanDerWaalsContact C-N 3.27Å; I466-A468 PolarHBondContact O-N 2.66Å; A468-F470 PolarHBondContact O-N 3.11Å; A468-G471 PolarHBondContact O-N 3.41Å; A468-G471 VanDerWaalsContact O-N 3.13Å
469	K	98.5	Very high	94.5	Very high	156 Å²	156	53.3 Å²	53.3	68%	0.678	30%	0.297	S	S	*	.	H	α-helix	trans	-67.5	-21	177.5	-59.8	174.7	-174.4	178.6	0	113.3	I466 A467	I466-K469 WeakPolarHBondContact O-CB 3.33Å; I466-K469 PolarHBondContact O-N 3.16Å; A467-K469 PolarHBondContact O-N 3.44Å
470	F	98.2	Very high	93.8	Very high	44 Å²	44	51 Å²	51	19%	0.193	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	20.5	176.2	-60.8	-86.9	0	0	0	111.9	F374 A382 C383 E386 I466 A467 A468 G472	F374-F470 HydrophobicContact CD1-CB 4.45Å; F374-F470 HydrophobicContact CE1-CB 4.25Å; A382-F470 HydrophobicContact CB-CD1 3.65Å; A382-F470 HydrophobicContact CB-CE1 3.62Å; C383-F470 HydrophobicContact CB-CB 4Å; C383-F470 HydrophobicContact CB-CD2 3.77Å; C383-F470 HydrophobicContact CB-CE2 4.46Å; C383-F470 HydrophobicContact CB-CG 3.89Å; E386-F470 HydrophobicContact CB-CE2 3.66Å; E386-F470 HydrophobicContact CB-CZ 3.66Å; E386-F470 HydrophobicContact CG-CE2 3.82Å; E386-F470 HydrophobicContact CG-CZ 4.01Å; I466-F470 HydrophobicContact CG2-CD2 4.47Å; I466-F470 HydrophobicContact CG2-CE2 4.12Å; I466-F470 WeakPolarHBondContact O-CD2 3.44Å; A467-F470 CarbonylContact O-C 3.6Å; A467-F470 PolarHBondContact O-N 3.44Å; A468-F470 PolarHBondContact O-N 3.11Å; F470-G472 PolarHBondContact O-N 2.93Å
471	G	95.7	Very high	93.3	Very high	31 Å²	31	52.2 Å²	52.2	32%	0.32	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	13.5	-177.9	0	0	0	0	0	114.1	F437 A467 A468	F437-G471 WeakPolarHBondContact CZ-O 3.49Å; A467-G471 PolarHBondContact O-N 3.34Å; A468-G471 PolarHBondContact O-N 3.41Å; A468-G471 VanDerWaalsContact O-N 3.13Å
472	G	95.6	Very high	92.6	Very high	9 Å²	9	49.2 Å²	49.2	9%	0.093	28%	0.278	C	S	.	.			trans	-66.9	135.3	176.7	0	0	0	0	0	112.2	V373 A467 F470	V373-G472 WeakPolarHBondContact O-CA 3.21Å; A467-G472 WeakPolarHBondContact O-CA 3.29Å; A467-G472 PolarHBondContact O-N 2.97Å; F470-G472 PolarHBondContact O-N 2.93Å
473	L	93.4	Very high	91.9	Very high	47 Å²	47	46 Å²	46	25%	0.246	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.1	175.9	-59.5	175.8	0	0	0	110	V372 V373 K435 F437 A475	V372-L473 CarbonylContact C-O 3.54Å; V372-L473 WeakPolarHBondContact CA-O 3.3Å; V373-L473 PolarHBondContact N-O 3.09Å; V373-L473 PolarHBondContact O-N 3.31Å; K435-L473 HydrophobicContact CB-CD1 4.31Å; K435-L473 HydrophobicContact CD-CD1 4.23Å; K435-L473 HydrophobicContact CG-CD1 3.84Å; F437-L473 HydrophobicContact CE1-CD1 4.47Å; F437-L473 HydrophobicContact CE2-CD1 4.18Å; F437-L473 HydrophobicContact CZ-CD1 3.87Å; F437-L473 HydrophobicContact CZ-CG 4.2Å; L473-A475 PolarHBondContact O-N 3.4Å
474	A	93.1	Very high	91.3	Very high	76 Å²	76	46.5 Å²	46.5	63%	0.628	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	126.7	175.2	0	0	0	0	0	110.7	Y464	Y464-A474 HydrophobicContact CD1-CB 3.92Å; Y464-A474 HydrophobicContact CE1-CB 3.56Å
475	A	87	Confident	90.6	Very high	15 Å²	15	47 Å²	47	12%	0.124	27%	0.272	C	S	.	.			trans	-114	9.1	-173.9	0	0	0	0	0	113.5	S371 V373 L473 N479	S371-A475 PolarHBondContact O-N 3.41Å; S371-A475 WeakPolarHBondContact OG-CB 3.46Å; S371-A475 PolarHBondContact OG-O 3.35Å; V373-A475 HydrophobicContact CB-CB 4.44Å; V373-A475 HydrophobicContact CG2-CB 3.46Å; V373-A475 VanDerWaalsContact CG2-CB 3.46Å; L473-A475 PolarHBondContact O-N 3.4Å; A475-N479 PolarHBondContact O-ND2 3.01Å
476	G	83.4	Confident	90	Very high	31 Å²	31	44 Å²	44	32%	0.32	26%	0.256	S	S	.	.			trans	93.4	158.6	170.4	0	0	0	0	0	114.6	S371	S371-G476 PolarHBondContact N-O 3.03Å; S371-G476 PolarHBondContact OG-N 3.13Å; S371-G476 PolarHBondContact OG-O 2.86Å
477	E	87.7	Confident	89.4	Confident	72 Å²	72	44.1 Å²	44.1	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-68.2	-41.3	-176.9	179	165.1	-164.2	0	0	112.9	K368 Y369 N479 G480 Q481	K368-E477 IonicContact NZ-OE1 3.42Å; K368-E477 IonicContact NZ-OE2 2.71Å; K368-E477 PolarHBondContact NZ-OE2 3.46Å; Y369-E477 WeakPolarHBondContact O-CG 3.18Å; E477-N479 PolarHBondContact O-N 2.8Å; E477-G480 WeakPolarHBondContact O-CA 3.43Å; E477-G480 PolarHBondContact O-N 3.46Å; E477-Q481 PolarHBondContact O-N 3.28Å
478	D	83.5	Confident	88.8	Confident	109 Å²	109	45.9 Å²	45.9	58%	0.583	27%	0.265	S	S	*	.	H	α-helix	trans	-56.1	-37.2	-177.4	-63.5	-14.3	0	0	0	113.1	R482	D478-R482 WeakPolarHBondContact O-CB 3.38Å; D478-R482 PolarHBondContact O-N 2.8Å
479	N	82.9	Confident	88.5	Confident	54 Å²	54	43.3 Å²	43.3	29%	0.289	24%	0.243	S	C	.	.	H	α-helix	trans	-69.6	-39.6	177.3	-74.1	-40.2	0	0	0	111.3	S371 A475 E477 G483	S371-N479 WeakPolarHBondContact OG-CB 3.25Å; A475-N479 PolarHBondContact O-ND2 3.01Å; E477-N479 PolarHBondContact O-N 2.8Å; N479-G483 PolarHBondContact O-N 3.14Å
480	G	83.2	Confident	88.1	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-50.1	175	0	0	0	0	0	111.8	G370 E477 R482 G483 Y484	G370-G480 VanDerWaalsContact O-CA 3.22Å; G370-G480 WeakPolarHBondContact O-CA 3.32Å; E477-G480 WeakPolarHBondContact O-CA 3.43Å; E477-G480 PolarHBondContact O-N 3.46Å; G480-R482 PolarHBondContact O-N 2.95Å; G480-G483 PolarHBondContact O-N 2.97Å; G480-Y484 PolarHBondContact O-N 3.17Å
481	Q	88.2	Confident	87.9	Confident	54 Å²	54	36.7 Å²	36.7	25%	0.252	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-44.4	179.5	-173.2	177.7	47.3	0	0	111.6	Y369 E477 Y484 M485	Y369-Q481 HydrophobicContact CD1-CB 4.14Å; Y369-Q481 HydrophobicContact CD2-CB 4.01Å; Y369-Q481 HydrophobicContact CD2-CG 4.1Å; Y369-Q481 HydrophobicContact CE2-CG 4.16Å; Y369-Q481 HydrophobicContact CG-CB 3.81Å; Y369-Q481 HydrophobicContact CG-CG 4.32Å; E477-Q481 PolarHBondContact O-N 3.28Å; Q481-Y484 WeakPolarHBondContact O-CB 3.28Å; Q481-Y484 PolarHBondContact O-N 3.5Å; Q481-M485 HydrophobicContact CG-CE 3.45Å; Q481-M485 VanDerWaalsContact CG-CE 3.45Å; Q481-M485 HydrophobicContact CG-SD 4.11Å; Q481-M485 WeakPolarHBondContact O-CG 3.49Å; Q481-M485 PolarHBondContact O-N 3.42Å
482	R	84.6	Confident	88	Confident	64 Å²	64	35.2 Å²	35.2	24%	0.242	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-46	177.2	-170.9	-179.3	-46.4	-167.3	4.1	112.1	K412 D478 G480 Y484 M485 L486	K412-R482 VanDerWaalsContact CD-NH1 3.35Å; D478-R482 WeakPolarHBondContact O-CB 3.38Å; D478-R482 PolarHBondContact O-N 2.8Å; G480-R482 PolarHBondContact O-N 2.95Å; R482-Y484 PolarHBondContact O-N 3.04Å; R482-M485 PolarHBondContact O-N 3.25Å; R482-L486 HydrophobicContact CG-CD1 4.17Å; R482-L486 HydrophobicContact CG-CG 4.33Å; R482-L486 WeakPolarHBondContact O-CB 3.44Å; R482-L486 VanDerWaalsContact O-CG 3.29Å; R482-L486 WeakPolarHBondContact O-CG 3.4Å; R482-L486 PolarHBondContact O-N 3.03Å
483	G	83.8	Confident	88	Confident	14 Å²	14	35.9 Å²	35.9	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-32	176.1	0	0	0	0	0	112.7	R398 N479 G480 T487	R398-G483 PolarHBondContact NH2-O 2.92Å; N479-G483 PolarHBondContact O-N 3.14Å; G480-G483 PolarHBondContact O-N 2.97Å; G483-T487 PolarHBondContact O-OG1 2.95Å
484	Y	86.7	Confident	88.1	Confident	13 Å²	13	35.7 Å²	35.7	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-49.6	171.5	-155.6	-88.9	0	0	0	111.6	E280 M300 Y369 R398 L448 G480 Q481 R482 L486 T487 F488	E280-Y484 PolarHBondContact OE2-OH 3.38Å; M300-Y484 HydrophobicContact CB-CE2 4.45Å; M300-Y484 HydrophobicContact CE-CD1 4.15Å; M300-Y484 HydrophobicContact CE-CD2 3.56Å; M300-Y484 HydrophobicContact CE-CE1 3.9Å; M300-Y484 HydrophobicContact CE-CE2 3.27Å; M300-Y484 HydrophobicContact CE-CG 3.99Å; M300-Y484 VanDerWaalsContact CE-CZ 3.46Å; M300-Y484 HydrophobicContact SD-CE1 4.22Å; M300-Y484 HydrophobicContact SD-CE2 4.2Å; Y369-Y484 HydrophobicContact CE1-CD1 4.15Å; Y369-Y484 HydrophobicContact CE1-CD2 4.18Å; Y369-Y484 AromaticContact CE1-CG 3.74Å; Y369-Y484 HydrophobicContact CE1-CG 3.74Å; R398-Y484 VanDerWaalsContact NH2-CA 3.26Å; L448-Y484 HydrophobicContact CB-CD2 4.34Å; L448-Y484 HydrophobicContact CB-CE2 4.25Å; L448-Y484 HydrophobicContact CD2-CD2 4.05Å; L448-Y484 HydrophobicContact CD2-CE1 4.42Å; L448-Y484 HydrophobicContact CD2-CE2 3.39Å; L448-Y484 HydrophobicContact CG-CE2 4.44Å; G480-Y484 PolarHBondContact O-N 3.17Å; Q481-Y484 WeakPolarHBondContact O-CB 3.28Å; Q481-Y484 PolarHBondContact O-N 3.5Å; R482-Y484 PolarHBondContact O-N 3.04Å; Y484-L486 PolarHBondContact O-N 3.2Å; Y484-T487 WeakPolarHBondContact O-CB 3.27Å; Y484-T487 PolarHBondContact O-N 3.31Å; Y484-T487 PolarHBondContact O-OG1 3.4Å; Y484-F488 HydrophobicContact CD1-CE2 4.4Å; Y484-F488 HydrophobicContact CE1-CE2 4.24Å
485	M	83.9	Confident	88.3	Confident	53 Å²	53	32.6 Å²	32.6	26%	0.261	18%	0.176	S	C	.	.	H	α-helix	trans	-64.5	-36.6	-179.9	-70.1	173.3	-177.5	0	0	114	R98 Q481 R482 T487 F488	R98-M485 HydrophobicContact CB-SD 4.41Å; R98-M485 HydrophobicContact CG-SD 4.41Å; Q481-M485 HydrophobicContact CG-CE 3.45Å; Q481-M485 VanDerWaalsContact CG-CE 3.45Å; Q481-M485 HydrophobicContact CG-SD 4.11Å; Q481-M485 WeakPolarHBondContact O-CG 3.49Å; Q481-M485 PolarHBondContact O-N 3.42Å; R482-M485 PolarHBondContact O-N 3.25Å; M485-T487 PolarHBondContact O-N 3.39Å; M485-T487 VanDerWaalsContact O-N 3.15Å; M485-F488 PolarHBondContact O-N 3.49Å
486	L	85.4	Confident	88.7	Confident	14 Å²	14	32 Å²	32	7%	0.073	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-27.4	178.8	-78.6	175.6	0	0	0	112.3	A408 L411 R482 Y484 F488 V489 I490	A408-L486 HydrophobicContact CB-CD1 4.39Å; L411-L486 HydrophobicContact CB-CD1 4.33Å; L411-L486 HydrophobicContact CB-CD2 4.1Å; L411-L486 HydrophobicContact CD1-CD1 4.31Å; L411-L486 HydrophobicContact CD1-CD2 3.91Å; R482-L486 HydrophobicContact CG-CD1 4.17Å; R482-L486 HydrophobicContact CG-CG 4.33Å; R482-L486 WeakPolarHBondContact O-CB 3.44Å; R482-L486 VanDerWaalsContact O-CG 3.29Å; R482-L486 WeakPolarHBondContact O-CG 3.4Å; R482-L486 PolarHBondContact O-N 3.03Å; Y484-L486 PolarHBondContact O-N 3.2Å; L486-F488 VanDerWaalsContact C-N 3.27Å; L486-F488 PolarHBondContact O-N 2.97Å; L486-V489 HydrophobicContact CD2-CG2 3.83Å; L486-V489 VanDerWaalsContact O-CG2 3.31Å; L486-V489 WeakPolarHBondContact O-CG2 3.03Å; L486-V489 PolarHBondContact O-N 3.36Å; L486-V489 VanDerWaalsContact O-N 3.09Å; L486-I490 HydrophobicContact CB-CD1 4.42Å; L486-I490 WeakPolarHBondContact O-CD1 3.24Å; L486-I490 VanDerWaalsContact O-CG1 3.22Å; L486-I490 WeakPolarHBondContact O-CG1 3.39Å; L486-I490 PolarHBondContact O-N 3.02Å
487	T	85.9	Confident	89.3	Confident	8 Å²	8	30.9 Å²	30.9	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-52.2	-43.6	177.9	-42.7	0	0	0	0	112.4	D282 M300 R398 G483 Y484 M485 V489	D282-T487 HydrophobicContact CB-CG2 4.02Å; D282-T487 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T487 WeakPolarHBondContact OD2-CG2 3.41Å; M300-T487 HydrophobicContact CE-CG2 3.88Å; M300-T487 HydrophobicContact SD-CG2 4.03Å; R398-T487 PolarHBondContact NH1-OG1 3.41Å; G483-T487 PolarHBondContact O-OG1 2.95Å; Y484-T487 WeakPolarHBondContact O-CB 3.27Å; Y484-T487 PolarHBondContact O-N 3.31Å; Y484-T487 PolarHBondContact O-OG1 3.4Å; M485-T487 PolarHBondContact O-N 3.39Å; M485-T487 VanDerWaalsContact O-N 3.15Å; T487-V489 PolarHBondContact O-N 2.88Å
488	F	86.9	Confident	89.7	Confident	39 Å²	39	27.5 Å²	27.5	17%	0.171	14%	0.143	C	C	.	.	H	α-helix	trans	-79	-16.6	-177.3	-60	-72.1	0	0	0	113.9	Y97 M284 M300 Y484 M485 L486	Y97-F488 HydrophobicContact CE1-CB 4.2Å; M284-F488 HydrophobicContact CG-CE1 4.01Å; M284-F488 HydrophobicContact SD-CE1 4.07Å; M284-F488 HydrophobicContact SD-CZ 4.24Å; M300-F488 HydrophobicContact SD-CZ 4.26Å; Y484-F488 HydrophobicContact CD1-CE2 4.4Å; Y484-F488 HydrophobicContact CE1-CE2 4.24Å; M485-F488 PolarHBondContact O-N 3.49Å; L486-F488 VanDerWaalsContact C-N 3.27Å; L486-F488 PolarHBondContact O-N 2.97Å
489	V	90.1	Very high	90.3	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-104.1	-18.2	-178.2	-63.4	0	0	0	0	113.7	F82 F92 Y97 L99 L486 T487 A491 Y492	F82-V489 HydrophobicContact CE2-CB 4.47Å; F82-V489 HydrophobicContact CZ-CB 4.35Å; F92-V489 HydrophobicContact CE1-CG1 4.14Å; F92-V489 HydrophobicContact CZ-CB 4.48Å; F92-V489 HydrophobicContact CZ-CG1 3.97Å; Y97-V489 HydrophobicContact CD1-CG1 3.94Å; Y97-V489 HydrophobicContact CE1-CG1 4.49Å; Y97-V489 HydrophobicContact CG-CG1 4.01Å; L99-V489 HydrophobicContact CD2-CG2 4.09Å; L486-V489 HydrophobicContact CD2-CG2 3.83Å; L486-V489 VanDerWaalsContact O-CG2 3.31Å; L486-V489 WeakPolarHBondContact O-CG2 3.03Å; L486-V489 PolarHBondContact O-N 3.36Å; L486-V489 VanDerWaalsContact O-N 3.09Å; T487-V489 PolarHBondContact O-N 2.88Å; V489-A491 PolarHBondContact O-N 2.97Å; V489-Y492 WeakPolarHBondContact O-CB 3.31Å; V489-Y492 PolarHBondContact O-N 2.62Å
490	I	91.3	Very high	90.9	Very high	27 Å²	27	22.8 Å²	22.8	14%	0.138	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-36.8	-178.4	-78.7	160.8	0	0	0	112.1	F407 L486 Y492 L493 Y559	F407-I490 HydrophobicContact CE1-CG1 4.36Å; L486-I490 HydrophobicContact CB-CD1 4.42Å; L486-I490 WeakPolarHBondContact O-CD1 3.24Å; L486-I490 VanDerWaalsContact O-CG1 3.22Å; L486-I490 WeakPolarHBondContact O-CG1 3.39Å; L486-I490 PolarHBondContact O-N 3.02Å; I490-Y492 PolarHBondContact O-N 3.2Å; I490-L493 WeakPolarHBondContact O-CB 3.06Å; I490-L493 PolarHBondContact O-N 3.26Å; I490-Y559 HydrophobicContact CG2-CE1 3.99Å
491	A	94.5	Very high	91.6	Very high	34 Å²	34	25.8 Å²	25.8	28%	0.281	13%	0.129	S	C	.	.	H	α-helix	trans	-60.7	-30.2	179.1	0	0	0	0	0	113	W75 V489 L493 R494	W75-A491 HydrophobicContact CB-CB 4.34Å; W75-A491 VanDerWaalsContact CD1-CB 3.42Å; W75-A491 HydrophobicContact CD2-CB 3.75Å; W75-A491 HydrophobicContact CG-CB 3.58Å; W75-A491 HydrophobicContact CZ2-CB 4.48Å; V489-A491 PolarHBondContact O-N 2.97Å; A491-L493 VanDerWaalsContact C-N 3.28Å; A491-L493 PolarHBondContact O-N 2.92Å; A491-R494 WeakPolarHBondContact O-CB 3.33Å; A491-R494 PolarHBondContact O-N 2.91Å
492	Y	96.7	Very high	92	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-18.4	175.5	-67.3	-90.9	0	0	0	113.6	W75 G76 Y77 S80 F92 Y97 V489 I490 R494	W75-Y492 AromaticContact CD1-CD2 3.64Å; W75-Y492 AromaticContact CD1-CE2 3.57Å; W75-Y492 AromaticContact CD1-CG 3.96Å; W75-Y492 AromaticContact CD1-CZ 3.79Å; W75-Y492 AromaticContact NE1-CE2 3.66Å; W75-Y492 VanDerWaalsContact O-CE1 3.29Å; W75-Y492 WeakPolarHBondContact O-CE1 3.38Å; G76-Y492 WeakPolarHBondContact CA-OH 3.32Å; Y77-Y492 PolarHBondContact N-OH 2.97Å; Y77-Y492 VanDerWaalsContact N-OH 3.12Å; S80-Y492 WeakPolarHBondContact O-CD1 3.26Å; S80-Y492 WeakPolarHBondContact O-CE1 3.3Å; F92-Y492 HydrophobicContact CE2-CD1 4.34Å; F92-Y492 HydrophobicContact CE2-CD2 4.18Å; F92-Y492 AromaticContact CE2-CG 3.9Å; F92-Y492 HydrophobicContact CE2-CG 3.9Å; F92-Y492 HydrophobicContact CZ-CD2 4.11Å; F92-Y492 HydrophobicContact CZ-CE2 4.34Å; F92-Y492 HydrophobicContact CZ-CG 4.2Å; Y97-Y492 HydrophobicContact CE2-CE2 4.03Å; Y97-Y492 AromaticContact CZ-CE2 3.81Å; Y97-Y492 WeakPolarHBondContact OH-CE2 3.34Å; Y97-Y492 PolarHBondContact OH-OH 3.05Å; V489-Y492 WeakPolarHBondContact O-CB 3.31Å; V489-Y492 PolarHBondContact O-N 2.62Å; I490-Y492 PolarHBondContact O-N 3.2Å; Y492-R494 PolarHBondContact O-N 3.37Å
493	L	95.5	Very high	92.6	Very high	23 Å²	23	20.7 Å²	20.7	12%	0.12	11%	0.108	C	C	.	.	H	α-helix	trans	-72.6	-20.4	175.7	-70.4	167.6	0	0	0	112.2	F82 L107 F407 L411 I490 A491 L496 G497	F82-L493 HydrophobicContact CB-CD2 4.45Å; F82-L493 HydrophobicContact CD1-CD2 3.96Å; F82-L493 HydrophobicContact CD2-CD2 3.48Å; F82-L493 VanDerWaalsContact CD2-CD2 3.48Å; F82-L493 HydrophobicContact CD2-CG 3.79Å; F82-L493 HydrophobicContact CE1-CD2 4.01Å; F82-L493 HydrophobicContact CE2-CD1 4.41Å; F82-L493 HydrophobicContact CE2-CD2 3.56Å; F82-L493 HydrophobicContact CE2-CG 3.5Å; F82-L493 HydrophobicContact CG-CD2 3.7Å; F82-L493 HydrophobicContact CG-CG 4.49Å; F82-L493 HydrophobicContact CZ-CD1 4.5Å; F82-L493 HydrophobicContact CZ-CD2 3.82Å; F82-L493 HydrophobicContact CZ-CG 3.98Å; L107-L493 HydrophobicContact CD1-CD2 4.44Å; L107-L493 HydrophobicContact CD2-CD2 3.75Å; F407-L493 HydrophobicContact CE1-CD1 4.46Å; F407-L493 HydrophobicContact CE2-CD1 3.94Å; F407-L493 HydrophobicContact CZ-CD1 3.42Å; F407-L493 VanDerWaalsContact CZ-CD1 3.42Å; L411-L493 HydrophobicContact CD1-CD1 3.93Å; L411-L493 HydrophobicContact CD2-CD1 4Å; L411-L493 HydrophobicContact CD2-CD2 4.43Å; I490-L493 WeakPolarHBondContact O-CB 3.06Å; I490-L493 PolarHBondContact O-N 3.26Å; A491-L493 VanDerWaalsContact C-N 3.28Å; A491-L493 PolarHBondContact O-N 2.92Å; L493-L496 HydrophobicContact CD2-CD2 4.14Å; L493-L496 PolarHBondContact O-N 3.38Å; L493-G497 PolarHBondContact O-N 3.32Å
494	R	96.4	Very high	93.3	Very high	44 Å²	44	20.7 Å²	20.7	17%	0.166	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-51	173	-175.9	-168.6	-65.7	-142.2	-0.7	110.8	H168 A491 Y492 L496 G497 M498 E505	H168-R494 PolarHBondContact O-NH1 3.02Å; H168-R494 PolarHBondContact O-NH2 3.38Å; A491-R494 WeakPolarHBondContact O-CB 3.33Å; A491-R494 PolarHBondContact O-N 2.91Å; Y492-R494 PolarHBondContact O-N 3.37Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 3.14Å; R494-G497 PolarHBondContact O-N 3.35Å; R494-G497 VanDerWaalsContact O-N 3.17Å; R494-M498 HydrophobicContact CG-CE 4.14Å; R494-M498 WeakPolarHBondContact O-CG 3.23Å; R494-M498 PolarHBondContact O-N 2.98Å; R494-E505 IonicContact CZ-OE2 2.83Å; R494-E505 IonicContact NH1-OE2 2.91Å; R494-E505 PolarHBondContact NH1-OE2 3.09Å; R494-E505 IonicContact NH2-OE2 3.26Å; R494-E505 PolarHBondContact NH2-OE2 3.26Å
495	D	95.8	Very high	93.7	Very high	11 Å²	11	20.9 Å²	20.9	6%	0.059	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-44.8	179.1	-63	-1.3	0	0	0	110.9	K71 W75 M498 D499	K71-D495 IonicContact NZ-OD2 2.83Å; K71-D495 PolarHBondContact NZ-OD2 2.84Å; W75-D495 PolarHBondContact N-OD1 3.2Å; W75-D495 PolarHBondContact N-OD2 2.85Å; D495-M498 PolarHBondContact O-N 2.67Å; D495-D499 PolarHBondContact O-N 3.17Å; D495-D499 VanDerWaalsContact O-N 3.14Å
496	L	95.7	Very high	94.3	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-63.2	-46.3	176.3	178.6	71.2	0	0	0	111.5	F82 F84 L107 M111 L493 R494 M498 D499 Y500	F82-L496 HydrophobicContact CB-CB 3.99Å; F82-L496 HydrophobicContact CB-CD1 4.34Å; F82-L496 HydrophobicContact CB-CD2 3.71Å; F82-L496 HydrophobicContact CB-CG 4.21Å; F82-L496 HydrophobicContact CG-CD2 4.43Å; F84-L496 HydrophobicContact CD2-CD1 4.04Å; F84-L496 HydrophobicContact CE2-CD1 3.91Å; F84-L496 HydrophobicContact CE2-CD2 4.2Å; F84-L496 HydrophobicContact CE2-CG 4.38Å; F84-L496 HydrophobicContact CZ-CD2 4.46Å; L107-L496 HydrophobicContact CD2-CD2 3.82Å; M111-L496 HydrophobicContact SD-CD2 4Å; M111-L496 HydrophobicContact SD-CG 4.5Å; L493-L496 HydrophobicContact CD2-CD2 4.14Å; L493-L496 PolarHBondContact O-N 3.38Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 3.14Å; L496-M498 VanDerWaalsContact C-N 3.26Å; L496-M498 PolarHBondContact O-N 2.71Å; L496-D499 WeakPolarHBondContact O-CB 3.27Å; L496-D499 PolarHBondContact O-N 2.84Å; L496-D499 VanDerWaalsContact O-N 3.13Å; L496-Y500 HydrophobicContact CD1-CD2 4.08Å; L496-Y500 HydrophobicContact CD1-CE2 3.7Å; L496-Y500 HydrophobicContact CG-CD2 4.48Å; L496-Y500 VanDerWaalsContact O-CD2 3.31Å; L496-Y500 WeakPolarHBondContact O-CD2 3.43Å
497	G	96.3	Very high	95	Very high	7 Å²	7	18.6 Å²	18.6	7%	0.072	10%	0.099	C	C	.	.	H	α-helix	trans	-54.9	-47.1	177.2	0	0	0	0	0	110.9	L493 R494 D499 Y500 Y501 V502	L493-G497 PolarHBondContact O-N 3.32Å; R494-G497 PolarHBondContact O-N 3.35Å; R494-G497 VanDerWaalsContact O-N 3.17Å; G497-D499 VanDerWaalsContact C-N 3.29Å; G497-D499 PolarHBondContact O-N 2.67Å; G497-Y500 CarbonylContact O-C 3.42Å; G497-Y500 WeakPolarHBondContact O-CA 3.24Å; G497-Y500 PolarHBondContact O-N 3.21Å; G497-Y501 PolarHBondContact O-N 3.5Å; G497-V502 CarbonylContact C-O 3.51Å; G497-V502 WeakPolarHBondContact O-CA 3.28Å; G497-V502 PolarHBondContact O-N 3.11Å; G497-V502 VanDerWaalsContact O-O 3.09Å
498	M	96.5	Very high	95.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-35.1	179.3	-72.5	-176.3	174.5	0	0	112	T123 L170 I173 F174 R177 R494 D495 L496 Y500 Y501 V502 I503	T123-M498 WeakPolarHBondContact CG2-O 3.48Å; L170-M498 HydrophobicContact CG-CE 4.23Å; I173-M498 HydrophobicContact CB-CE 4.49Å; I173-M498 HydrophobicContact CG2-CE 4.27Å; I173-M498 HydrophobicContact CG2-SD 4.04Å; F174-M498 HydrophobicContact CB-CE 4.5Å; R177-M498 WeakPolarHBondContact CD-SD 3.44Å; R494-M498 HydrophobicContact CG-CE 4.14Å; R494-M498 WeakPolarHBondContact O-CG 3.23Å; R494-M498 PolarHBondContact O-N 2.98Å; D495-M498 PolarHBondContact O-N 2.67Å; L496-M498 VanDerWaalsContact C-N 3.26Å; L496-M498 PolarHBondContact O-N 2.71Å; M498-Y500 PolarHBondContact O-N 3.01Å; M498-Y500 VanDerWaalsContact O-N 3.14Å; M498-Y501 PolarHBondContact O-N 3.13Å; M498-V502 WeakPolarHBondContact CA-O 3.38Å; M498-V502 PolarHBondContact N-O 3.38Å; M498-I503 HydrophobicContact CE-CG2 4.4Å; M498-I503 HydrophobicContact CG-CG2 4.22Å
499	D	95.6	Very high	96.2	Very high	48 Å²	48	16.3 Å²	16.3	26%	0.257	9%	0.089	S	C	.	.	H	α-helix	trans	-60.5	-21	174.3	-68.6	-18.2	0	0	0	113.3	K122 T123 R177 D495 L496 G497	K122-D499 VanDerWaalsContact CA-O 3.31Å; K122-D499 WeakPolarHBondContact CA-O 3.26Å; T123-D499 PolarHBondContact N-O 3.4Å; R177-D499 IonicContact CZ-OD1 2.95Å; R177-D499 IonicContact NH1-OD1 3.48Å; R177-D499 IonicContact NH2-OD1 3.73Å; R177-D499 PolarHBondContact NH2-OD1 2.9Å; D495-D499 PolarHBondContact O-N 3.17Å; D495-D499 VanDerWaalsContact O-N 3.14Å; L496-D499 WeakPolarHBondContact O-CB 3.27Å; L496-D499 PolarHBondContact O-N 2.84Å; L496-D499 VanDerWaalsContact O-N 3.13Å; G497-D499 VanDerWaalsContact C-N 3.29Å; G497-D499 PolarHBondContact O-N 2.67Å
500	Y	96.3	Very high	96.6	Very high	15 Å²	15	18 Å²	18	6%	0.059	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	33.3	-175.8	-64.3	-80.4	0	0	0	113.3	F84 L119 K122 L496 G497 M498 V502	F84-Y500 HydrophobicContact CD2-CD2 4.3Å; F84-Y500 HydrophobicContact CD2-CE1 4.39Å; F84-Y500 AromaticContact CD2-CE2 3.46Å; F84-Y500 HydrophobicContact CD2-CE2 3.46Å; F84-Y500 VanDerWaalsContact CD2-CE2 3.46Å; F84-Y500 AromaticContact CD2-CZ 3.52Å; F84-Y500 WeakPolarHBondContact CD2-OH 3.34Å; F84-Y500 HydrophobicContact CE2-CD2 4Å; F84-Y500 AromaticContact CE2-CE2 3.62Å; F84-Y500 HydrophobicContact CE2-CE2 3.62Å; F84-Y500 AromaticContact CE2-CZ 3.99Å; L119-Y500 HydrophobicContact CB-CE1 4.3Å; L119-Y500 HydrophobicContact CD2-CD1 4.05Å; L119-Y500 HydrophobicContact CD2-CE1 3.57Å; K122-Y500 HydrophobicContact CD-CE1 4.11Å; K122-Y500 WeakPolarHBondContact CE-OH 3.35Å; K122-Y500 HydrophobicContact CG-CD1 4.19Å; K122-Y500 HydrophobicContact CG-CE1 3.7Å; L496-Y500 HydrophobicContact CD1-CD2 4.08Å; L496-Y500 HydrophobicContact CD1-CE2 3.7Å; L496-Y500 HydrophobicContact CG-CD2 4.48Å; L496-Y500 VanDerWaalsContact O-CD2 3.31Å; L496-Y500 WeakPolarHBondContact O-CD2 3.43Å; G497-Y500 CarbonylContact O-C 3.42Å; G497-Y500 WeakPolarHBondContact O-CA 3.24Å; G497-Y500 PolarHBondContact O-N 3.21Å; M498-Y500 PolarHBondContact O-N 3.01Å; M498-Y500 VanDerWaalsContact O-N 3.14Å; Y500-V502 PolarHBondContact O-N 3Å
501	Y	96.7	Very high	96.9	Very high	65 Å²	65	17 Å²	17	26%	0.255	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	22.6	177.4	-65	-97	0	0	0	115.3	H121 K122 G497 M498 N563 Y564 R565	H121-Y501 HydrophobicContact CB-CD2 4.25Å; H121-Y501 HydrophobicContact CB-CE2 4.26Å; K122-Y501 WeakPolarHBondContact O-CE2 3.29Å; K122-Y501 PolarHBondContact O-OH 2.62Å; G497-Y501 PolarHBondContact O-N 3.5Å; M498-Y501 PolarHBondContact O-N 3.13Å; Y501-N563 CarbonylContact O-C 3.51Å; Y501-N563 VanDerWaalsContact O-CA 3.26Å; Y501-N563 WeakPolarHBondContact O-CA 3.49Å; Y501-N563 PolarHBondContact O-OD1 3.34Å; Y501-Y564 HydrophobicContact CD1-CD2 4.09Å; Y501-Y564 HydrophobicContact CD1-CE1 4.25Å; Y501-Y564 AromaticContact CD1-CE2 3.41Å; Y501-Y564 HydrophobicContact CD1-CE2 3.41Å; Y501-Y564 VanDerWaalsContact CD1-CE2 3.41Å; Y501-Y564 AromaticContact CD1-CZ 3.48Å; Y501-Y564 VanDerWaalsContact CD1-CZ 3.48Å; Y501-Y564 HydrophobicContact CE1-CE2 4.04Å; Y501-Y564 HydrophobicContact CG-CE1 4.47Å; Y501-Y564 HydrophobicContact CG-CE2 4.37Å; Y501-Y564 WeakPolarHBondContact O-CD1 3.29Å; Y501-Y564 WeakPolarHBondContact O-CE1 3.22Å; Y501-Y564 PolarHBondContact O-N 2.98Å; Y501-R565 HydrophobicContact CD1-CG 3.67Å; Y501-R565 HydrophobicContact CD2-CG 4.24Å; Y501-R565 HydrophobicContact CE1-CG 4.41Å; Y501-R565 HydrophobicContact CG-CG 3.6Å
502	V	97.4	Very high	97.1	Very high	9 Å²	9	18 Å²	18	6%	0.055	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.9	173.8	-179.3	0	0	0	0	109	F115 A117 G497 M498 Y500 A561 F562 N563	F115-V502 HydrophobicContact CB-CG2 3.83Å; F115-V502 HydrophobicContact CD1-CG1 4.05Å; F115-V502 HydrophobicContact CD1-CG2 4.45Å; F115-V502 HydrophobicContact CD2-CG1 4.09Å; F115-V502 HydrophobicContact CD2-CG2 4Å; F115-V502 HydrophobicContact CE1-CG1 3.97Å; F115-V502 HydrophobicContact CE2-CG1 4.01Å; F115-V502 HydrophobicContact CG-CG1 4.1Å; F115-V502 HydrophobicContact CG-CG2 3.86Å; F115-V502 HydrophobicContact CZ-CG1 3.95Å; A117-V502 HydrophobicContact CB-CG2 4.38Å; G497-V502 CarbonylContact C-O 3.51Å; G497-V502 WeakPolarHBondContact O-CA 3.28Å; G497-V502 PolarHBondContact O-N 3.11Å; G497-V502 VanDerWaalsContact O-O 3.09Å; M498-V502 WeakPolarHBondContact CA-O 3.38Å; M498-V502 PolarHBondContact N-O 3.38Å; Y500-V502 PolarHBondContact O-N 3Å; V502-A561 HydrophobicContact CG1-CB 4.24Å; V502-F562 WeakPolarHBondContact CA-O 3.15Å; V502-N563 HydrophobicContact CG2-CB 4.49Å
503	I	97.8	Very high	97.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	147.2	171.3	58	172.9	0	0	0	109.4	L170 F174 M498 A561 F562 Y564 P570 Y574	L170-I503 HydrophobicContact CD1-CB 3.95Å; L170-I503 HydrophobicContact CD2-CD1 4.42Å; F174-I503 HydrophobicContact CD2-CG2 3.97Å; F174-I503 HydrophobicContact CE2-CG2 3.98Å; M498-I503 HydrophobicContact CE-CG2 4.4Å; M498-I503 HydrophobicContact CG-CG2 4.22Å; I503-A561 CarbonylContact O-C 2.97Å; I503-A561 WeakPolarHBondContact O-CA 3.42Å; I503-A561 WeakPolarHBondContact O-CB 3.37Å; I503-F562 HydrophobicContact CD1-CE1 4.15Å; I503-F562 HydrophobicContact CD1-CE2 4.18Å; I503-F562 HydrophobicContact CD1-CZ 3.71Å; I503-F562 HydrophobicContact CG1-CE1 4.19Å; I503-F562 HydrophobicContact CG1-CE2 4.25Å; I503-F562 HydrophobicContact CG1-CZ 4.03Å; I503-F562 PolarHBondContact N-O 2.96Å; I503-F562 PolarHBondContact O-N 3.26Å; I503-Y564 HydrophobicContact CB-CD1 4.24Å; I503-Y564 HydrophobicContact CD1-CD1 4.34Å; I503-Y564 HydrophobicContact CG1-CD1 3.94Å; I503-Y564 HydrophobicContact CG2-CD1 3.63Å; I503-Y564 HydrophobicContact CG2-CE1 3.64Å; I503-P570 HydrophobicContact CD1-CB 4.04Å; I503-P570 WeakPolarHBondContact CD1-O 3.42Å; I503-Y574 HydrophobicContact CD1-CD2 4.27Å; I503-Y574 HydrophobicContact CD1-CG 4.47Å; I503-Y574 HydrophobicContact CG1-CD2 4.38Å
504	G	97	Very high	97.4	Very high	14 Å²	14	24.2 Å²	24.2	14%	0.144	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	155.9	179.7	0	0	0	0	0	112.9	F560	G504-F560 CarbonylContact C-O 3.47Å; G504-F560 WeakPolarHBondContact CA-O 3.44Å
505	E	95.6	Very high	97.5	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.084	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.3	178.5	179	157	112.9	0	0	109.3	C169 L170 R494 F560 Y574	C169-E505 WeakPolarHBondContact CA-OE2 3Å; L170-E505 HydrophobicContact CB-CB 4.36Å; L170-E505 HydrophobicContact CD1-CB 4.39Å; L170-E505 PolarHBondContact N-OE2 3.48Å; R494-E505 IonicContact CZ-OE2 2.83Å; R494-E505 IonicContact NH1-OE2 2.91Å; R494-E505 PolarHBondContact NH1-OE2 3.09Å; R494-E505 IonicContact NH2-OE2 3.26Å; R494-E505 PolarHBondContact NH2-OE2 3.26Å; E505-F560 PolarHBondContact N-O 3.2Å; E505-F560 PolarHBondContact O-N 2.95Å; E505-Y574 HydrophobicContact CB-CE1 4.32Å; E505-Y574 VanDerWaalsContact CB-OH 3.28Å; E505-Y574 WeakPolarHBondContact CB-OH 3.26Å; E505-Y574 PolarHBondContact N-OH 3.4Å; E505-Y574 PolarHBondContact O-OH 3.37Å
506	S	97.7	Very high	97.6	Very high	16 Å²	16	25.8 Å²	25.8	11%	0.112	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149.2	172.4	44.8	0	0	0	0	111.8	Y557 F558	S506-Y557 WeakPolarHBondContact CB-OH 3.14Å; S506-Y557 PolarHBondContact OG-OH 3.21Å; S506-F558 WeakPolarHBondContact CA-O 3.24Å; S506-F558 WeakPolarHBondContact CB-O 3.38Å
507	F	98.6	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.9	171.7	63.6	-92	0	0	0	109.7	V523 I527 F558 F560 E578 A581 I585	F507-V523 HydrophobicContact CE2-CG1 4.04Å; F507-V523 HydrophobicContact CZ-CG1 4.07Å; F507-I527 HydrophobicContact CE1-CD1 4.09Å; F507-I527 HydrophobicContact CZ-CD1 3.71Å; F507-F558 HydrophobicContact CD1-CB 4.27Å; F507-F558 HydrophobicContact CD2-CB 3.99Å; F507-F558 AromaticContact CD2-CD2 4Å; F507-F558 HydrophobicContact CD2-CD2 4Å; F507-F558 HydrophobicContact CD2-CG 4.29Å; F507-F558 HydrophobicContact CE1-CB 3.78Å; F507-F558 HydrophobicContact CE2-CB 3.47Å; F507-F558 VanDerWaalsContact CE2-CB 3.47Å; F507-F558 HydrophobicContact CE2-CD1 4.38Å; F507-F558 AromaticContact CE2-CD2 3.48Å; F507-F558 HydrophobicContact CE2-CD2 3.48Å; F507-F558 VanDerWaalsContact CE2-CD2 3.48Å; F507-F558 HydrophobicContact CE2-CE2 4.29Å; F507-F558 AromaticContact CE2-CG 3.53Å; F507-F558 HydrophobicContact CE2-CG 3.53Å; F507-F558 HydrophobicContact CG-CB 4.34Å; F507-F558 HydrophobicContact CZ-CB 3.32Å; F507-F558 HydrophobicContact CZ-CD1 4.31Å; F507-F558 HydrophobicContact CZ-CD2 4.15Å; F507-F558 AromaticContact CZ-CG 3.7Å; F507-F558 HydrophobicContact CZ-CG 3.7Å; F507-F558 PolarHBondContact N-O 2.8Å; F507-F558 VanDerWaalsContact N-O 3.1Å; F507-F558 PolarHBondContact O-N 2.92Å; F507-F560 HydrophobicContact CE1-CB 3.77Å; F507-E578 HydrophobicContact CD1-CG 4.24Å; F507-A581 HydrophobicContact CE2-CB 4.41Å; F507-A581 HydrophobicContact CZ-CB 4.14Å; F507-I585 HydrophobicContact CD2-CD1 3.82Å; F507-I585 HydrophobicContact CE2-CD1 3.75Å
508	E	98.8	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	161.7	-162	51.2	82.5	-128.3	0	0	112.5	V556 Y557 R582 S593 H594 H595 H596	E508-V556 WeakPolarHBondContact CA-O 3.49Å; E508-Y557 HydrophobicContact CB-CD2 3.56Å; E508-Y557 HydrophobicContact CB-CE2 3.96Å; E508-Y557 HydrophobicContact CB-CG 4.43Å; E508-Y557 HydrophobicContact CG-CD2 4.24Å; E508-Y557 HydrophobicContact CG-CE2 4.17Å; E508-R582 PolarHBondContact O-NH1 3.26Å; E508-S593 WeakPolarHBondContact OE1-CA 3.34Å; E508-S593 WeakPolarHBondContact OE1-CB 3.23Å; E508-S593 PolarHBondContact OE1-OG 3.33Å; E508-H594 PolarHBondContact OE1-N 3.48Å; E508-H594 WeakPolarHBondContact OE2-CA 3.35Å; E508-H594 WeakPolarHBondContact OE2-CB 3.34Å; E508-H594 IonicContact OE2-CG 3.16Å; E508-H594 PolarHBondContact OE2-N 3Å; E508-H594 IonicContact OE2-ND1 3.33Å; E508-H595 IonicContact OE2-CE1 3.43Å; E508-H595 PolarHBondContact OE2-CE1 2.91Å; E508-H595 IonicContact OE2-CG 2.92Å; E508-H595 PolarHBondContact OE2-N 3.36Å; E508-H595 IonicContact OE2-ND1 3.73Å; E508-H595 PolarHBondContact OE2-ND1 2.79Å; E508-H596 HydrophobicContact CG-CB 4.26Å; E508-H596 WeakPolarHBondContact OE1-CB 3.08Å; E508-H596 IonicContact OE1-CG 3.84Å; E508-H596 PolarHBondContact OE1-N 3.07Å
509	T	98.9	Very high	98	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	158.6	178.2	-174.8	0	0	0	0	110	I519 C555 V556 F558 I585 G590 S591	T509-I519 HydrophobicContact CG2-CD1 3.93Å; T509-C555 CarbonylContact O-C 3.42Å; T509-C555 WeakPolarHBondContact O-CA 3.44Å; T509-V556 HydrophobicContact CG2-CB 4.24Å; T509-V556 PolarHBondContact N-O 3.37Å; T509-V556 PolarHBondContact O-N 3.31Å; T509-F558 HydrophobicContact CG2-CE2 4.25Å; T509-I585 HydrophobicContact CG2-CD1 4.22Å; T509-I585 HydrophobicContact CG2-CG1 4.29Å; T509-I585 HydrophobicContact CG2-CG2 4.01Å; T509-I585 VanDerWaalsContact OG1-CG2 3.32Å; T509-I585 WeakPolarHBondContact OG1-CG2 3.42Å; T509-G590 WeakPolarHBondContact OG1-CA 3.49Å; T509-S591 WeakPolarHBondContact CB-O 3.26Å; T509-S591 PolarHBondContact OG1-N 3.36Å; T509-S591 PolarHBondContact OG1-O 3.32Å
510	S	98.9	Very high	98.1	Very high	40 Å²	40	28.5 Å²	28.5	28%	0.28	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.1	162.3	65.2	0	0	0	0	110.3	A554 G590 S591	S510-A554 CarbonylContact C-O 3.56Å; S510-A554 VanDerWaalsContact CA-O 3.32Å; S510-A554 WeakPolarHBondContact CA-O 3.43Å; S510-G590 CarbonylContact O-C 3.59Å; S510-G590 WeakPolarHBondContact O-CA 3.27Å; S510-S591 PolarHBondContact N-OG 3.11Å; S510-S591 PolarHBondContact O-N 3.23Å; S510-S591 PolarHBondContact O-OG 3.27Å; S510-S591 WeakPolarHBondContact OG-CB 3.23Å; S510-S591 PolarHBondContact OG-OG 3.48Å
511	V	98.8	Very high	98.3	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.2	-172.9	67.3	0	0	0	0	110.9	R515 V516 I519 G553 A554 V556	V511-R515 HydrophobicContact CG2-CB 3.55Å; V511-V516 HydrophobicContact CG1-CB 4.4Å; V511-V516 HydrophobicContact CG1-CG2 3.67Å; V511-I519 HydrophobicContact CB-CD1 4.36Å; V511-I519 HydrophobicContact CB-CG2 4.5Å; V511-I519 HydrophobicContact CG1-CG2 4.1Å; V511-I519 HydrophobicContact CG2-CD1 4.11Å; V511-I519 HydrophobicContact CG2-CG2 4.23Å; V511-G553 CarbonylContact O-C 3.42Å; V511-G553 WeakPolarHBondContact O-CA 3.36Å; V511-A554 PolarHBondContact N-O 3.19Å; V511-A554 PolarHBondContact O-N 2.92Å; V511-V556 HydrophobicContact CG1-CG2 3.84Å
512	P	98.9	Very high	98.4	Very high	57 Å²	57	34 Å²	34	37%	0.37	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	149	169.6	-26.6	36.8	0	0	0	112.8	D514 R515 V516 G589	P512-D514 VanDerWaalsContact C-N 3.29Å; P512-D514 VanDerWaalsContact CB-OD1 3.3Å; P512-D514 WeakPolarHBondContact CB-OD1 3.39Å; P512-D514 PolarHBondContact O-N 3.18Å; P512-R515 PolarHBondContact O-N 2.75Å; P512-V516 PolarHBondContact O-N 3.21Å; P512-G589 WeakPolarHBondContact CD-O 3.42Å
513	W	98.8	Very high	98.4	Very high	27 Å²	27	33.6 Å²	33.6	10%	0.102	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.1	-173	-82.4	116.9	0	0	0	114.8	V381 L384 R385 A388 R515 V516 T549 Y550 D551 G553 A554	V381-W513 HydrophobicContact CG1-CZ3 4.37Å; L384-W513 HydrophobicContact CB-CH2 4.1Å; L384-W513 HydrophobicContact CB-CZ3 4.41Å; R385-W513 HydrophobicContact CB-CD2 4.16Å; R385-W513 HydrophobicContact CB-CE3 3.84Å; R385-W513 HydrophobicContact CB-CH2 4.36Å; R385-W513 HydrophobicContact CB-CZ3 3.95Å; R385-W513 HydrophobicContact CG-CD2 4.33Å; R385-W513 HydrophobicContact CG-CE3 4.42Å; A388-W513 HydrophobicContact CB-CZ2 3.65Å; W513-R515 PolarHBondContact O-N 2.96Å; W513-V516 HydrophobicContact CE3-CG2 4.06Å; W513-T549 HydrophobicContact CH2-CG2 3.85Å; W513-T549 HydrophobicContact CZ2-CG2 4.19Å; W513-Y550 PolarHBondContact NE1-O 2.91Å; W513-D551 PolarHBondContact NE1-O 3.26Å; W513-G553 VanDerWaalsContact CD1-CA 3.5Å; W513-G553 VanDerWaalsContact CD1-N 3.33Å; W513-G553 WeakPolarHBondContact CZ2-O 3.34Å; W513-G553 PolarHBondContact NE1-O 2.9Å; W513-A554 HydrophobicContact CE3-CB 4.34Å; W513-A554 HydrophobicContact CH2-CB 3.96Å; W513-A554 HydrophobicContact CZ2-CB 4.32Å; W513-A554 HydrophobicContact CZ3-CB 3.97Å
514	D	98.6	Very high	98.5	Very high	125 Å²	125	35.8 Å²	35.8	67%	0.668	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-70.1	-12.9	-179.8	64.2	-52.1	0	0	0	113.3	P512	P512-D514 VanDerWaalsContact C-N 3.29Å; P512-D514 VanDerWaalsContact CB-OD1 3.3Å; P512-D514 WeakPolarHBondContact CB-OD1 3.39Å; P512-D514 PolarHBondContact O-N 3.18Å
515	R	98.7	Very high	98.6	Very high	88 Å²	88	37.8 Å²	37.8	33%	0.332	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-109.4	-7.7	-177.4	-53.3	-65	-74	-173.8	-7.9	113.7	V511 P512 W513 L517 D518 I519 N588	V511-R515 HydrophobicContact CG2-CB 3.55Å; P512-R515 PolarHBondContact O-N 2.75Å; W513-R515 PolarHBondContact O-N 2.96Å; R515-L517 PolarHBondContact O-N 3.32Å; R515-D518 PolarHBondContact O-N 2.99Å; R515-I519 WeakPolarHBondContact O-CG2 3.23Å; R515-I519 PolarHBondContact O-N 2.83Å; R515-N588 PolarHBondContact NE-O 3.23Å; R515-N588 PolarHBondContact NH2-O 3.04Å
516	V	98.8	Very high	98.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-45.3	-176.4	174.1	0	0	0	0	112.7	V381 V511 P512 W513 I519 C520 V546 A554 V556	V381-V516 HydrophobicContact CG1-CB 4.17Å; V381-V516 HydrophobicContact CG1-CG1 3.83Å; V381-V516 HydrophobicContact CG2-CG1 4.03Å; V511-V516 HydrophobicContact CG1-CB 4.4Å; V511-V516 HydrophobicContact CG1-CG2 3.67Å; P512-V516 PolarHBondContact O-N 3.21Å; W513-V516 HydrophobicContact CE3-CG2 4.06Å; V516-I519 VanDerWaalsContact O-CG2 3.31Å; V516-I519 WeakPolarHBondContact O-CG2 3.29Å; V516-C520 WeakPolarHBondContact O-CB 3.47Å; V516-C520 PolarHBondContact O-N 3.41Å; V516-C520 PolarHBondContact O-SG 2.88Å; V516-V546 HydrophobicContact CG1-CG2 4.09Å; V516-A554 HydrophobicContact CG2-CB 4.1Å; V516-V556 HydrophobicContact CG1-CG2 4.27Å
517	L	98.8	Very high	98.8	Very high	62 Å²	62	37.8 Å²	37.8	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-71.8	-41	-177.3	-65.9	177	0	0	0	111.9	F377 E378 V381 R515 R521	F377-L517 HydrophobicContact CD1-CD2 3.93Å; F377-L517 HydrophobicContact CE1-CD2 4.32Å; E378-L517 HydrophobicContact CB-CD1 4.08Å; E378-L517 HydrophobicContact CB-CD2 4.43Å; E378-L517 HydrophobicContact CG-CD1 3.86Å; E378-L517 HydrophobicContact CG-CD2 4.1Å; V381-L517 HydrophobicContact CB-CD2 3.95Å; V381-L517 HydrophobicContact CG1-CD2 4.22Å; V381-L517 HydrophobicContact CG1-CG 4.37Å; V381-L517 HydrophobicContact CG2-CD2 3.75Å; R515-L517 PolarHBondContact O-N 3.32Å; L517-R521 WeakPolarHBondContact O-CB 3.49Å; L517-R521 PolarHBondContact O-N 2.79Å
518	D	98.6	Very high	98.8	Very high	51 Å²	51	42 Å²	42	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-46.3	179.7	-74.2	-21.8	0	0	0	111.5	R515 C520 R521 N522	R515-D518 PolarHBondContact O-N 2.99Å; D518-C520 PolarHBondContact O-N 3.12Å; D518-R521 PolarHBondContact O-N 2.82Å; D518-R521 IonicContact OD1-CZ 2.9Å; D518-R521 IonicContact OD1-NE 3.4Å; D518-R521 IonicContact OD1-NH2 3.68Å; D518-R521 PolarHBondContact OD1-NH2 2.83Å; D518-N522 VanDerWaalsContact O-CB 3.25Å; D518-N522 WeakPolarHBondContact O-CB 3.36Å; D518-N522 PolarHBondContact O-N 3.22Å; D518-N522 PolarHBondContact O-ND2 2.71Å
519	I	98.6	Very high	98.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-43.3	178.1	-161.4	165.3	0	0	0	111.4	T509 V511 R515 V516 R521 V523 V556 I585 N588	T509-I519 HydrophobicContact CG2-CD1 3.93Å; V511-I519 HydrophobicContact CB-CD1 4.36Å; V511-I519 HydrophobicContact CB-CG2 4.5Å; V511-I519 HydrophobicContact CG1-CG2 4.1Å; V511-I519 HydrophobicContact CG2-CD1 4.11Å; V511-I519 HydrophobicContact CG2-CG2 4.23Å; R515-I519 WeakPolarHBondContact O-CG2 3.23Å; R515-I519 PolarHBondContact O-N 2.83Å; V516-I519 VanDerWaalsContact O-CG2 3.31Å; V516-I519 WeakPolarHBondContact O-CG2 3.29Å; I519-R521 VanDerWaalsContact C-N 3.32Å; I519-R521 PolarHBondContact O-N 3.13Å; I519-V523 HydrophobicContact CG1-CG2 3.83Å; I519-V523 WeakPolarHBondContact O-CB 3.4Å; I519-V523 WeakPolarHBondContact O-CG2 3.13Å; I519-V523 PolarHBondContact O-N 3.49Å; I519-V556 HydrophobicContact CG2-CG2 4.43Å; I519-I585 HydrophobicContact CD1-CB 4.3Å; I519-I585 HydrophobicContact CD1-CG1 4.26Å; I519-I585 HydrophobicContact CD1-CG2 4.13Å; I519-I585 HydrophobicContact CG1-CG1 4.42Å; I519-N588 HydrophobicContact CB-CB 3.98Å; I519-N588 HydrophobicContact CD1-CB 4.2Å; I519-N588 HydrophobicContact CG1-CB 3.87Å
520	C	98.8	Very high	98.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-41.4	177.4	-74.2	0	0	0	0	112.2	F377 V516 D518 K524 C544 V556	F377-C520 HydrophobicContact CE1-CB 4.2Å; V516-C520 WeakPolarHBondContact O-CB 3.47Å; V516-C520 PolarHBondContact O-N 3.41Å; V516-C520 PolarHBondContact O-SG 2.88Å; D518-C520 PolarHBondContact O-N 3.12Å; C520-K524 WeakPolarHBondContact O-CB 3.35Å; C520-K524 WeakPolarHBondContact O-CE 3.43Å; C520-K524 WeakPolarHBondContact O-CG 3.41Å; C520-K524 PolarHBondContact O-N 2.97Å; C520-C544 VanDerWaalsContact SG-SG 3.64Å; C520-V556 WeakPolarHBondContact SG-CG1 3.05Å
521	R	98.8	Very high	98.7	Very high	154 Å²	154	47.8 Å²	47.8	58%	0.581	23%	0.23	S	C	*	.	H	α-helix	trans	-71.9	-49.7	-179.8	176.5	174.2	55.5	121.8	-1.9	111.6	L517 D518 I519 K524 A525	L517-R521 WeakPolarHBondContact O-CB 3.49Å; L517-R521 PolarHBondContact O-N 2.79Å; D518-R521 PolarHBondContact O-N 2.82Å; D518-R521 IonicContact OD1-CZ 2.9Å; D518-R521 IonicContact OD1-NE 3.4Å; D518-R521 IonicContact OD1-NH2 3.68Å; D518-R521 PolarHBondContact OD1-NH2 2.83Å; I519-R521 VanDerWaalsContact C-N 3.32Å; I519-R521 PolarHBondContact O-N 3.13Å; R521-K524 PolarHBondContact O-N 3.26Å; R521-A525 WeakPolarHBondContact O-CB 3.29Å; R521-A525 PolarHBondContact O-N 3Å
522	N	98.9	Very high	98.7	Very high	43 Å²	43	55.4 Å²	55.4	23%	0.23	26%	0.263	C	S	.	.	H	α-helix	trans	-71.7	-41.1	-171.6	-63.9	-14	0	0	0	111.5	D518 A525 R526 E584 N588	D518-N522 VanDerWaalsContact O-CB 3.25Å; D518-N522 WeakPolarHBondContact O-CB 3.36Å; D518-N522 PolarHBondContact O-N 3.22Å; D518-N522 PolarHBondContact O-ND2 2.71Å; N522-A525 PolarHBondContact O-N 3.49Å; N522-R526 WeakPolarHBondContact O-CB 3.35Å; N522-R526 PolarHBondContact O-N 2.94Å; N522-E584 HydrophobicContact CB-CG 4.29Å; N522-N588 PolarHBondContact ND2-OD1 2.88Å
523	V	98.9	Very high	98.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-44.5	175.5	174.4	0	0	0	0	111.2	F507 I519 A525 R526 I527 F558 A581 E584 I585	F507-V523 HydrophobicContact CE2-CG1 4.04Å; F507-V523 HydrophobicContact CZ-CG1 4.07Å; I519-V523 HydrophobicContact CG1-CG2 3.83Å; I519-V523 WeakPolarHBondContact O-CB 3.4Å; I519-V523 WeakPolarHBondContact O-CG2 3.13Å; I519-V523 PolarHBondContact O-N 3.49Å; V523-A525 VanDerWaalsContact C-N 3.34Å; V523-A525 PolarHBondContact O-N 3.13Å; V523-R526 PolarHBondContact O-N 3.12Å; V523-I527 HydrophobicContact CG1-CD1 4.1Å; V523-I527 WeakPolarHBondContact O-CG1 3.28Å; V523-I527 PolarHBondContact O-N 3.42Å; V523-F558 HydrophobicContact CB-CE1 3.89Å; V523-F558 HydrophobicContact CB-CZ 3.93Å; V523-F558 HydrophobicContact CG1-CD1 4.1Å; V523-F558 HydrophobicContact CG1-CE1 3.81Å; V523-F558 HydrophobicContact CG1-CE2 4.42Å; V523-F558 HydrophobicContact CG1-CZ 3.98Å; V523-F558 HydrophobicContact CG2-CZ 4.25Å; V523-A581 HydrophobicContact CG1-CB 4.19Å; V523-E584 HydrophobicContact CG2-CB 4.17Å; V523-E584 HydrophobicContact CG2-CG 3.92Å; V523-I585 HydrophobicContact CG1-CG1 4.49Å; V523-I585 HydrophobicContact CG2-CG1 3.66Å
524	K	98.8	Very high	98.6	Very high	47 Å²	47	59.7 Å²	59.7	20%	0.204	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-42.3	176.1	-72.2	-169.2	-70.8	-179	0	112.1	D401 C520 R521 I527 I528 S542 F558	D401-K524 IonicContact OD2-NZ 3.92Å; D401-K524 PolarHBondContact OD2-NZ 2.7Å; C520-K524 WeakPolarHBondContact O-CB 3.35Å; C520-K524 WeakPolarHBondContact O-CE 3.43Å; C520-K524 WeakPolarHBondContact O-CG 3.41Å; C520-K524 PolarHBondContact O-N 2.97Å; R521-K524 PolarHBondContact O-N 3.26Å; K524-I527 PolarHBondContact O-N 2.95Å; K524-I528 WeakPolarHBondContact O-CG1 3.47Å; K524-I528 PolarHBondContact O-N 3Å; K524-S542 WeakPolarHBondContact CA-OG 3.2Å; K524-S542 VanDerWaalsContact CD-O 3.24Å; K524-S542 WeakPolarHBondContact CD-O 3.46Å; K524-S542 WeakPolarHBondContact CG-OG 3.11Å; K524-F558 HydrophobicContact CG-CD1 4.45Å; K524-F558 HydrophobicContact CG-CE1 4.34Å
525	A	98.7	Very high	98.5	Very high	55 Å²	55	55.7 Å²	55.7	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-40.3	176.1	0	0	0	0	0	112.3	R521 N522 V523 I528 R529	R521-A525 WeakPolarHBondContact O-CB 3.29Å; R521-A525 PolarHBondContact O-N 3Å; N522-A525 PolarHBondContact O-N 3.49Å; V523-A525 VanDerWaalsContact C-N 3.34Å; V523-A525 PolarHBondContact O-N 3.13Å; A525-I528 PolarHBondContact O-N 2.71Å; A525-R529 PolarHBondContact O-N 2.87Å
526	R	98.8	Very high	98.5	Very high	35 Å²	35	52.2 Å²	52.2	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-49.4	176	-177.6	66.6	176.3	-80.3	-8.2	110.8	N522 V523 I528 R529 E530 A580 E583 E584	N522-R526 WeakPolarHBondContact O-CB 3.35Å; N522-R526 PolarHBondContact O-N 2.94Å; V523-R526 PolarHBondContact O-N 3.12Å; R526-I528 PolarHBondContact O-N 3.22Å; R526-R529 PolarHBondContact O-N 3.04Å; R526-E530 HydrophobicContact CG-CG 4.15Å; R526-E530 IonicContact CZ-OE1 3.52Å; R526-E530 IonicContact NE-OE1 3.02Å; R526-E530 PolarHBondContact NE-OE1 3.22Å; R526-E530 IonicContact NH2-OE1 3.94Å; R526-E530 PolarHBondContact NH2-OE1 2.67Å; R526-E530 WeakPolarHBondContact O-CB 3.41Å; R526-E530 VanDerWaalsContact O-CG 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.18Å; R526-E530 PolarHBondContact O-N 2.76Å; R526-A580 HydrophobicContact CG-CB 4.49Å; R526-A580 PolarHBondContact NH1-O 3.45Å; R526-E583 IonicContact NH2-OE2 3.51Å; R526-E583 PolarHBondContact NH2-OE2 2.92Å; R526-E583 VanDerWaalsContact NH2-OE2 3.09Å; R526-E584 HydrophobicContact CB-CB 4.18Å; R526-E584 HydrophobicContact CB-CG 3.93Å; R526-E584 HydrophobicContact CG-CB 4.06Å; R526-E584 HydrophobicContact CG-CG 4.31Å; R526-E584 IonicContact NH1-OE2 2.72Å; R526-E584 PolarHBondContact NH1-OE2 3.49Å; R526-E584 VanDerWaalsContact NH1-OE2 3.16Å
527	I	98.8	Very high	98.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-49	178	-72.7	165.5	0	0	0	111.6	F507 V523 K524 R529 E530 C531 P540 S542 F560 V577 A581	F507-I527 HydrophobicContact CE1-CD1 4.09Å; F507-I527 HydrophobicContact CZ-CD1 3.71Å; V523-I527 HydrophobicContact CG1-CD1 4.1Å; V523-I527 WeakPolarHBondContact O-CG1 3.28Å; V523-I527 PolarHBondContact O-N 3.42Å; K524-I527 PolarHBondContact O-N 2.95Å; I527-R529 VanDerWaalsContact C-N 3.31Å; I527-R529 PolarHBondContact O-N 3.37Å; I527-E530 PolarHBondContact O-N 2.52Å; I527-C531 WeakPolarHBondContact O-CB 3.31Å; I527-C531 PolarHBondContact O-N 3.35Å; I527-C531 PolarHBondContact O-SG 3.37Å; I527-C531 VanDerWaalsContact O-SG 3.39Å; I527-P540 HydrophobicContact CG2-CB 4.44Å; I527-P540 HydrophobicContact CG2-CG 4.36Å; I527-S542 WeakPolarHBondContact CD1-OG 3.35Å; I527-F560 HydrophobicContact CD1-CB 4.24Å; I527-F560 HydrophobicContact CD1-CG 4.39Å; I527-F560 HydrophobicContact CG2-CD2 3.4Å; I527-F560 HydrophobicContact CG2-CE2 3.53Å; I527-F560 HydrophobicContact CG2-CG 4.05Å; I527-F560 HydrophobicContact CG2-CZ 4.27Å; I527-V577 HydrophobicContact CB-CG1 4.37Å; I527-V577 HydrophobicContact CG1-CG1 4.21Å; I527-V577 HydrophobicContact CG2-CG1 4.14Å; I527-A581 HydrophobicContact CD1-CB 4.08Å; I527-A581 HydrophobicContact CG1-CB 3.88Å
528	I	98.5	Very high	98	Very high	90 Å²	90	58 Å²	58	46%	0.462	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-43.1	-179.3	-67.5	165.1	0	0	0	111	K524 A525 R526 K532 P540	K524-I528 WeakPolarHBondContact O-CG1 3.47Å; K524-I528 PolarHBondContact O-N 3Å; A525-I528 PolarHBondContact O-N 2.71Å; R526-I528 PolarHBondContact O-N 3.22Å; I528-K532 PolarHBondContact O-N 3.46Å; I528-P540 HydrophobicContact CB-CG 4.5Å; I528-P540 HydrophobicContact CG1-CG 4.04Å
529	R	98.6	Very high	97.7	Very high	130 Å²	130	60.2 Å²	60.2	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-63.9	-51.8	177.9	-177.3	176.2	67.8	-151.1	3.3	111.6	A525 R526 I527 C531 K532 D533	A525-R529 PolarHBondContact O-N 2.87Å; R526-R529 PolarHBondContact O-N 3.04Å; I527-R529 VanDerWaalsContact C-N 3.31Å; I527-R529 PolarHBondContact O-N 3.37Å; R529-C531 VanDerWaalsContact C-N 3.35Å; R529-C531 PolarHBondContact O-N 2.91Å; R529-K532 WeakPolarHBondContact O-CB 2.99Å; R529-K532 PolarHBondContact O-N 3.21Å; R529-K532 VanDerWaalsContact O-N 3.14Å; R529-D533 VanDerWaalsContact O-CG 3.29Å; R529-D533 PolarHBondContact O-N 3.3Å
530	E	98.6	Very high	97.6	Very high	30 Å²	30	61.2 Å²	61.2	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-40.7	-178.4	-66.3	-69.3	162.2	0	0	112.1	R526 I527 K532 D533 K534 V577 A580	R526-E530 HydrophobicContact CG-CG 4.15Å; R526-E530 IonicContact CZ-OE1 3.52Å; R526-E530 IonicContact NE-OE1 3.02Å; R526-E530 PolarHBondContact NE-OE1 3.22Å; R526-E530 IonicContact NH2-OE1 3.94Å; R526-E530 PolarHBondContact NH2-OE1 2.67Å; R526-E530 WeakPolarHBondContact O-CB 3.41Å; R526-E530 VanDerWaalsContact O-CG 3.25Å; R526-E530 WeakPolarHBondContact O-CG 3.18Å; R526-E530 PolarHBondContact O-N 2.76Å; I527-E530 PolarHBondContact O-N 2.52Å; E530-K532 PolarHBondContact O-N 2.99Å; E530-D533 PolarHBondContact O-N 3.21Å; E530-K534 WeakPolarHBondContact O-CB 3.47Å; E530-K534 VanDerWaalsContact O-CG 3.27Å; E530-K534 WeakPolarHBondContact O-CG 3.29Å; E530-K534 PolarHBondContact O-N 2.85Å; E530-K534 IonicContact OE2-NZ 2.68Å; E530-V577 HydrophobicContact CB-CB 4.43Å; E530-V577 HydrophobicContact CB-CG1 4.1Å; E530-V577 HydrophobicContact CB-CG2 3.93Å; E530-A580 HydrophobicContact CG-CB 3.77Å
531	C	98.5	Very high	97.5	Very high	1 Å²	1	62 Å²	62	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-46	173.9	-77.8	0	0	0	0	111.9	I527 R529 K534 G535 V536 P540 F560	I527-C531 WeakPolarHBondContact O-CB 3.31Å; I527-C531 PolarHBondContact O-N 3.35Å; I527-C531 PolarHBondContact O-SG 3.37Å; I527-C531 VanDerWaalsContact O-SG 3.39Å; R529-C531 VanDerWaalsContact C-N 3.35Å; R529-C531 PolarHBondContact O-N 2.91Å; C531-K534 PolarHBondContact O-N 3.49Å; C531-G535 PolarHBondContact O-N 3.01Å; C531-V536 HydrophobicContact CB-CB 3.94Å; C531-V536 HydrophobicContact CB-CG1 4.46Å; C531-V536 HydrophobicContact CB-CG2 3.82Å; C531-V536 VanDerWaalsContact O-CB 3.25Å; C531-V536 WeakPolarHBondContact O-CB 3.39Å; C531-V536 VanDerWaalsContact O-CG2 3.29Å; C531-V536 WeakPolarHBondContact O-CG2 3.17Å; C531-V536 PolarHBondContact O-N 2.93Å; C531-P540 HydrophobicContact CB-CB 4.37Å; C531-P540 HydrophobicContact CB-CG 3.88Å; C531-F560 WeakPolarHBondContact SG-CE2 3.38Å; C531-F560 VanDerWaalsContact SG-CZ 3.59Å
532	K	97.6	Very high	97.5	Very high	166 Å²	166	55.2 Å²	55.2	72%	0.722	29%	0.287	S	S	*	.	H	α-helix	trans	-61.7	-46.5	178.5	-177.5	-177.2	175.9	-174.5	0	111.2	I528 R529 E530 K534 G535	I528-K532 PolarHBondContact O-N 3.46Å; R529-K532 WeakPolarHBondContact O-CB 2.99Å; R529-K532 PolarHBondContact O-N 3.21Å; R529-K532 VanDerWaalsContact O-N 3.14Å; E530-K532 PolarHBondContact O-N 2.99Å; K532-K534 PolarHBondContact O-N 3.22Å; K532-G535 PolarHBondContact O-N 2.94Å; K532-G535 VanDerWaalsContact O-N 3.13Å
533	D	97.9	Very high	97.5	Very high	113 Å²	113	53.3 Å²	53.3	60%	0.604	28%	0.277	S	S	*	.	H	α-helix	trans	-66.4	-28.4	-177.6	-65.6	-15.9	0	0	0	112	R529 E530 G535	R529-D533 VanDerWaalsContact O-CG 3.29Å; R529-D533 PolarHBondContact O-N 3.3Å; E530-D533 PolarHBondContact O-N 3.21Å; D533-G535 VanDerWaalsContact C-N 3.34Å
534	K	97.8	Very high	97.5	Very high	60 Å²	60	53.3 Å²	53.3	26%	0.261	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	9.5	176	-64.1	176.6	-165.6	-60.4	0	114.2	E530 C531 K532 V573 Q576 V577	E530-K534 WeakPolarHBondContact O-CB 3.47Å; E530-K534 VanDerWaalsContact O-CG 3.27Å; E530-K534 WeakPolarHBondContact O-CG 3.29Å; E530-K534 PolarHBondContact O-N 2.85Å; E530-K534 IonicContact OE2-NZ 2.68Å; C531-K534 PolarHBondContact O-N 3.49Å; K532-K534 PolarHBondContact O-N 3.22Å; K534-V573 HydrophobicContact CB-CG1 3.9Å; K534-V573 HydrophobicContact CD-CG1 4.09Å; K534-Q576 HydrophobicContact CD-CB 4.15Å; K534-V577 HydrophobicContact CD-CG2 3.83Å
535	G	97.2	Very high	97.5	Very high	42 Å²	42	52 Å²	52	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	18.6	172.3	0	0	0	0	0	115.4	C531 K532 D533 Q537	C531-G535 PolarHBondContact O-N 3.01Å; K532-G535 PolarHBondContact O-N 2.94Å; K532-G535 VanDerWaalsContact O-N 3.13Å; D533-G535 VanDerWaalsContact C-N 3.34Å; G535-Q537 PolarHBondContact O-N 3.27Å
536	V	97.7	Very high	97.5	Very high	15 Å²	15	49.4 Å²	49.4	9%	0.091	25%	0.249	C	C	.	.			trans	-64.3	120.3	170.5	-178.2	0	0	0	0	108.8	C531 F538 F562 L567 V573	C531-V536 HydrophobicContact CB-CB 3.94Å; C531-V536 HydrophobicContact CB-CG1 4.46Å; C531-V536 HydrophobicContact CB-CG2 3.82Å; C531-V536 VanDerWaalsContact O-CB 3.25Å; C531-V536 WeakPolarHBondContact O-CB 3.39Å; C531-V536 VanDerWaalsContact O-CG2 3.29Å; C531-V536 WeakPolarHBondContact O-CG2 3.17Å; C531-V536 PolarHBondContact O-N 2.93Å; V536-F538 WeakPolarHBondContact CG1-O 3.28Å; V536-F562 HydrophobicContact CB-CD2 4.47Å; V536-F562 HydrophobicContact CG1-CB 3.91Å; V536-F562 HydrophobicContact CG1-CD2 3.64Å; V536-F562 HydrophobicContact CG1-CE2 4.46Å; V536-F562 HydrophobicContact CG1-CG 4Å; V536-F562 HydrophobicContact CG2-CD2 3.91Å; V536-F562 HydrophobicContact CG2-CE2 3.97Å; V536-F562 HydrophobicContact CG2-CG 4.38Å; V536-F562 HydrophobicContact CG2-CZ 4.45Å; V536-L567 HydrophobicContact CG2-CD1 4.26Å; V536-V573 HydrophobicContact CG2-CG1 4.2Å
537	Q	95.3	Very high	97.4	Very high	131 Å²	131	48.4 Å²	48.4	61%	0.612	25%	0.247	S	C	*	.			trans	-77.6	-26.5	-169.9	-60.3	-175.9	-2.6	0	0	113.8	G535	G535-Q537 PolarHBondContact O-N 3.27Å
538	F	93.4	Very high	97.4	Very high	52 Å²	52	49 Å²	49	23%	0.228	25%	0.249	C	C	.	.	S	Bend	trans	-111.5	147.7	-176.8	-58.3	-87.9	0	0	0	110.3	F115 V536 N563	F115-F538 WeakPolarHBondContact O-CD1 3.33Å; F115-F538 WeakPolarHBondContact O-CG 3.45Å; V536-F538 WeakPolarHBondContact CG1-O 3.28Å; F538-N563 HydrophobicContact CB-CB 4.19Å; F538-N563 HydrophobicContact CD2-CB 3.69Å; F538-N563 HydrophobicContact CE2-CB 4.41Å; F538-N563 HydrophobicContact CG-CB 4.11Å
539	P	90.6	Very high	97.4	Very high	98 Å²	98	44.9 Å²	44.9	64%	0.636	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-54	129.2	174.2	-25.6	35	0	0	0	111.2
540	P	97.3	Very high	97.4	Very high	20 Å²	20	42 Å²	42	13%	0.13	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-71.5	146.9	175.1	30.6	-35	0	0	0	110.1	I527 I528 C531 S542 F560 A561 F562	I527-P540 HydrophobicContact CG2-CB 4.44Å; I527-P540 HydrophobicContact CG2-CG 4.36Å; I528-P540 HydrophobicContact CB-CG 4.5Å; I528-P540 HydrophobicContact CG1-CG 4.04Å; C531-P540 HydrophobicContact CB-CB 4.37Å; C531-P540 HydrophobicContact CB-CG 3.88Å; P540-S542 PolarHBondContact O-N 3.02Å; P540-F560 HydrophobicContact CB-CD2 4.37Å; P540-F560 HydrophobicContact CB-CE2 3.95Å; P540-A561 CarbonylContact C-O 3.55Å; P540-A561 WeakPolarHBondContact CA-O 3.29Å; P540-F562 HydrophobicContact CB-CB 4.05Å
541	L	97.9	Very high	97.4	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.099	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.7	160	176.9	67.1	0	0	0	107.6	W110 T114 F115 E403 T543 F560 A561	W110-L541 HydrophobicContact CH2-CD2 4.02Å; W110-L541 HydrophobicContact CZ2-CD1 4.5Å; W110-L541 HydrophobicContact CZ2-CD2 4.03Å; T114-L541 HydrophobicContact CG2-CB 4.23Å; T114-L541 HydrophobicContact CG2-CD1 4.27Å; F115-L541 HydrophobicContact CE1-CB 3.5Å; F115-L541 VanDerWaalsContact CE1-CB 3.5Å; F115-L541 HydrophobicContact CZ-CB 3.71Å; F115-L541 HydrophobicContact CZ-CD2 3.89Å; F115-L541 HydrophobicContact CZ-CG 4.43Å; E403-L541 HydrophobicContact CB-CD1 4.49Å; L541-T543 HydrophobicContact CD1-CG2 4.05Å; L541-T543 HydrophobicContact CD2-CG2 4.35Å; L541-T543 HydrophobicContact CG-CG2 4.08Å; L541-F560 WeakPolarHBondContact O-CA 3.47Å; L541-A561 HydrophobicContact CB-CB 4.32Å; L541-A561 PolarHBondContact N-O 3.42Å; L541-A561 PolarHBondContact O-N 3.23Å
542	S	98.1	Very high	97.4	Very high	13 Å²	13	48.9 Å²	48.9	9%	0.091	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	106.8	171.3	-166	0	0	0	0	108.5	K524 I527 P540	K524-S542 WeakPolarHBondContact CA-OG 3.2Å; K524-S542 VanDerWaalsContact CD-O 3.24Å; K524-S542 WeakPolarHBondContact CD-O 3.46Å; K524-S542 WeakPolarHBondContact CG-OG 3.11Å; I527-S542 WeakPolarHBondContact CD1-OG 3.35Å; P540-S542 PolarHBondContact O-N 3.02Å
543	T	98.4	Very high	97.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.3	-172.6	173.4	0	0	0	0	110.4	D401 Q404 L541 F558 Y559	D401-T543 VanDerWaalsContact CG-OG1 3.26Å; D401-T543 PolarHBondContact OD1-OG1 3.11Å; D401-T543 PolarHBondContact OD2-OG1 2.92Å; Q404-T543 HydrophobicContact CG-CG2 3.9Å; Q404-T543 VanDerWaalsContact CG-OG1 3.23Å; Q404-T543 WeakPolarHBondContact CG-OG1 3.47Å; Q404-T543 PolarHBondContact N-OG1 2.99Å; Q404-T543 PolarHBondContact NE2-OG1 2.73Å; L541-T543 HydrophobicContact CD1-CG2 4.05Å; L541-T543 HydrophobicContact CD2-CG2 4.35Å; L541-T543 HydrophobicContact CG-CG2 4.08Å; T543-F558 CarbonylContact O-C 3.57Å; T543-F558 VanDerWaalsContact O-CA 3.25Å; T543-F558 WeakPolarHBondContact O-CA 3.42Å; T543-Y559 PolarHBondContact N-O 3.42Å; T543-Y559 VanDerWaalsContact N-O 3.12Å; T543-Y559 PolarHBondContact O-N 2.89Å
544	C	98.5	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	158.4	-179.6	66.8	0	0	0	0	112.9	D401 Q404 C520 V556 Y557 F558	D401-C544 WeakPolarHBondContact CB-O 3.49Å; D401-C544 PolarHBondContact N-O 2.78Å; D401-C544 VanDerWaalsContact N-O 3.12Å; D401-C544 PolarHBondContact OD2-N 3.12Å; D401-C544 PolarHBondContact OD2-SG 2.87Å; D401-C544 VanDerWaalsContact OD2-SG 3.35Å; Q404-C544 PolarHBondContact NE2-O 3.29Å; C520-C544 VanDerWaalsContact SG-SG 3.64Å; C544-V556 HydrophobicContact CB-CG1 4.18Å; C544-Y557 CarbonylContact C-O 3.51Å; C544-Y557 VanDerWaalsContact CA-O 3.27Å; C544-Y557 WeakPolarHBondContact CA-O 3.47Å; C544-F558 HydrophobicContact CB-CD1 3.55Å; C544-F558 HydrophobicContact CB-CE1 3.62Å; C544-F558 HydrophobicContact CB-CG 4.24Å; C544-F558 HydrophobicContact CB-CZ 4.37Å
545	R	98.5	Very high	97.6	Very high	20 Å²	20	33 Å²	33	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.3	166.4	55.3	173.5	-175.9	-168.4	6.5	110.8	D282 L399 M400 Q404 T547 V556 Y557	D282-R545 IonicContact OD2-NH2 3.96Å; L399-R545 CarbonylContact O-C 3.57Å; L399-R545 WeakPolarHBondContact O-CA 3.48Å; L399-R545 WeakPolarHBondContact O-CB 3.19Å; M400-R545 HydrophobicContact CB-CB 4.32Å; Q404-R545 VanDerWaalsContact OE1-CB 3.27Å; Q404-R545 VanDerWaalsContact OE1-CD 3.25Å; Q404-R545 VanDerWaalsContact OE1-CG 3.31Å; R545-T547 HydrophobicContact CG-CG2 3.74Å; R545-T547 VanDerWaalsContact NE-CG2 3.35Å; R545-V556 WeakPolarHBondContact O-CA 3.26Å; R545-Y557 PolarHBondContact N-O 2.67Å; R545-Y557 PolarHBondContact O-N 3.47Å
546	V	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	116.1	163.9	-178.6	0	0	0	0	107.6	F377 V381 L384 R398 L399 V516 A554 C555	F377-V546 HydrophobicContact CZ-CG2 4.1Å; V381-V546 HydrophobicContact CG2-CG2 4.26Å; L384-V546 HydrophobicContact CD2-CB 3.91Å; L384-V546 HydrophobicContact CD2-CG1 3.73Å; R398-V546 CarbonylContact C-O 3.58Å; R398-V546 VanDerWaalsContact CA-O 3.27Å; R398-V546 WeakPolarHBondContact CA-O 3.45Å; L399-V546 HydrophobicContact CB-CB 4.24Å; L399-V546 PolarHBondContact N-O 2.9Å; L399-V546 PolarHBondContact O-N 3Å; V516-V546 HydrophobicContact CG1-CG2 4.09Å; V546-A554 HydrophobicContact CG1-CB 3.77Å; V546-C555 WeakPolarHBondContact CA-O 3.32Å
547	T	98.3	Very high	97.7	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.086	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-27.8	-174.7	49.8	0	0	0	0	113.6	R545 C555 Y557	R545-T547 HydrophobicContact CG-CG2 3.74Å; R545-T547 VanDerWaalsContact NE-CG2 3.35Å; T547-C555 PolarHBondContact N-O 3.4Å; T547-C555 WeakPolarHBondContact OG1-CB 3.49Å; T547-C555 PolarHBondContact OG1-SG 2.94Å; T547-C555 VanDerWaalsContact OG1-SG 3.33Å; T547-Y557 HydrophobicContact CG2-CG 4.19Å
548	Q	98.6	Very high	97.9	Very high	11 Å²	11	25 Å²	25	5%	0.051	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.4	-177.5	-60.9	-66	-1	0	0	110.5	G299 K302 Y550 A554 C555	G299-Q548 PolarHBondContact O-NE2 3.06Å; K302-Q548 HydrophobicContact CD-CG 4.43Å; K302-Q548 VanDerWaalsContact CE-OE1 3.31Å; Q548-Y550 HydrophobicContact CB-CE2 3.95Å; Q548-A554 VanDerWaalsContact O-CA 3.29Å; Q548-A554 WeakPolarHBondContact O-CA 3.45Å; Q548-A554 WeakPolarHBondContact O-CB 3.22Å; Q548-C555 HydrophobicContact CB-CB 3.65Å; Q548-C555 HydrophobicContact CG-CB 4.08Å; Q548-C555 PolarHBondContact O-N 3.35Å
549	T	98.6	Very high	98.1	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.1	174.6	65.7	0	0	0	0	110	K302 L384 I397 W513	K302-T549 PolarHBondContact NZ-O 3.02Å; L384-T549 HydrophobicContact CB-CG2 4.2Å; L384-T549 HydrophobicContact CD2-CG2 4.04Å; L384-T549 HydrophobicContact CG-CG2 4.16Å; I397-T549 HydrophobicContact CG2-CG2 4.16Å; W513-T549 HydrophobicContact CH2-CG2 3.85Å; W513-T549 HydrophobicContact CZ2-CG2 4.19Å
550	Y	98.8	Very high	98.5	Very high	68 Å²	68	20 Å²	20	27%	0.267	11%	0.112	S	C	.	.			trans	-132.7	166.9	176	-63.6	-89.3	0	0	0	108.9	K302 N307 W513 Q548 A552 G553 H594	K302-Y550 HydrophobicContact CD-CE1 4.03Å; K302-Y550 WeakPolarHBondContact CD-OH 3.46Å; K302-Y550 VanDerWaalsContact CE-CE1 3.45Å; K302-Y550 VanDerWaalsContact CE-OH 3.32Å; K302-Y550 WeakPolarHBondContact CE-OH 3.37Å; N307-Y550 PolarHBondContact ND2-OH 3.19Å; N307-Y550 VanDerWaalsContact ND2-OH 3.13Å; W513-Y550 PolarHBondContact NE1-O 2.91Å; Q548-Y550 HydrophobicContact CB-CE2 3.95Å; Y550-A552 VanDerWaalsContact C-N 3.26Å; Y550-A552 PolarHBondContact O-N 3.32Å; Y550-G553 WeakPolarHBondContact CA-O 3.46Å; Y550-G553 WeakPolarHBondContact CB-O 3.36Å; Y550-G553 PolarHBondContact N-O 2.86Å; Y550-H594 AromaticContact CE2-CD2 3.87Å; Y550-H594 AromaticContact CE2-NE2 3.37Å; Y550-H594 WeakPolarHBondContact CE2-NE2 3.14Å; Y550-H594 AromaticContact CZ-NE2 3.39Å; Y550-H594 PolarHBondContact OH-CE1 3.34Å; Y550-H594 PolarHBondContact OH-NE2 3.5Å
551	D	98.6	Very high	98.5	Very high	92 Å²	92	19.6 Å²	19.6	49%	0.492	11%	0.111	S	C	.	.	S	Bend	trans	-55.5	-46.3	171	-71.9	-32.4	0	0	0	111	R391 W513	R391-D551 IonicContact CZ-OD1 2.77Å; R391-D551 IonicContact CZ-OD2 2.85Å; R391-D551 IonicContact NE-OD1 3.98Å; R391-D551 PolarHBondContact NE-OD1 2.94Å; R391-D551 IonicContact NE-OD2 3.61Å; R391-D551 PolarHBondContact NE-OD2 3.36Å; R391-D551 IonicContact NH2-OD1 3.51Å; R391-D551 IonicContact NH2-OD2 2.84Å; R391-D551 PolarHBondContact NH2-OD2 2.88Å; W513-D551 PolarHBondContact NE1-O 3.26Å
552	A	98.7	Very high	98.6	Very high	84 Å²	84	18.7 Å²	18.7	69%	0.694	11%	0.106	S	C	*	.	S	Bend	trans	-91.1	-14.1	-172.1	0	0	0	0	0	114.8	Y550	Y550-A552 VanDerWaalsContact C-N 3.26Å; Y550-A552 PolarHBondContact O-N 3.32Å
553	G	98.7	Very high	98.6	Very high	6 Å²	6	18.1 Å²	18.1	6%	0.062	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.2	-158.6	-173.3	0	0	0	0	0	114.1	V511 W513 Y550	V511-G553 CarbonylContact O-C 3.42Å; V511-G553 WeakPolarHBondContact O-CA 3.36Å; W513-G553 VanDerWaalsContact CD1-CA 3.5Å; W513-G553 VanDerWaalsContact CD1-N 3.33Å; W513-G553 WeakPolarHBondContact CZ2-O 3.34Å; W513-G553 PolarHBondContact NE1-O 2.9Å; Y550-G553 WeakPolarHBondContact CA-O 3.46Å; Y550-G553 WeakPolarHBondContact CB-O 3.36Å; Y550-G553 PolarHBondContact N-O 2.86Å
554	A	98.8	Very high	98.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.4	-177.4	0	0	0	0	0	111.8	S510 V511 W513 V516 V546 Q548	S510-A554 CarbonylContact C-O 3.56Å; S510-A554 VanDerWaalsContact CA-O 3.32Å; S510-A554 WeakPolarHBondContact CA-O 3.43Å; V511-A554 PolarHBondContact N-O 3.19Å; V511-A554 PolarHBondContact O-N 2.92Å; W513-A554 HydrophobicContact CE3-CB 4.34Å; W513-A554 HydrophobicContact CH2-CB 3.96Å; W513-A554 HydrophobicContact CZ2-CB 4.32Å; W513-A554 HydrophobicContact CZ3-CB 3.97Å; V516-A554 HydrophobicContact CG2-CB 4.1Å; V546-A554 HydrophobicContact CG1-CB 3.77Å; Q548-A554 VanDerWaalsContact O-CA 3.29Å; Q548-A554 WeakPolarHBondContact O-CA 3.45Å; Q548-A554 WeakPolarHBondContact O-CB 3.22Å
555	C	98.9	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.7	163.8	-175.8	0	0	0	0	108.9	T509 V546 T547 Q548	T509-C555 CarbonylContact O-C 3.42Å; T509-C555 WeakPolarHBondContact O-CA 3.44Å; V546-C555 WeakPolarHBondContact CA-O 3.32Å; T547-C555 PolarHBondContact N-O 3.4Å; T547-C555 WeakPolarHBondContact OG1-CB 3.49Å; T547-C555 PolarHBondContact OG1-SG 2.94Å; T547-C555 VanDerWaalsContact OG1-SG 3.33Å; Q548-C555 HydrophobicContact CB-CB 3.65Å; Q548-C555 HydrophobicContact CG-CB 4.08Å; Q548-C555 PolarHBondContact O-N 3.35Å
556	V	98.8	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.8	171.4	-176.6	0	0	0	0	108.5	E508 T509 V511 V516 I519 C520 C544 R545 F558	E508-V556 WeakPolarHBondContact CA-O 3.49Å; T509-V556 HydrophobicContact CG2-CB 4.24Å; T509-V556 PolarHBondContact N-O 3.37Å; T509-V556 PolarHBondContact O-N 3.31Å; V511-V556 HydrophobicContact CG1-CG2 3.84Å; V516-V556 HydrophobicContact CG1-CG2 4.27Å; I519-V556 HydrophobicContact CG2-CG2 4.43Å; C520-V556 WeakPolarHBondContact SG-CG1 3.05Å; C544-V556 HydrophobicContact CB-CG1 4.18Å; R545-V556 WeakPolarHBondContact O-CA 3.26Å; V556-F558 HydrophobicContact CB-CE2 4.08Å; V556-F558 HydrophobicContact CG1-CD2 4.03Å; V556-F558 HydrophobicContact CG1-CE1 4.27Å; V556-F558 HydrophobicContact CG1-CE2 3.38Å; V556-F558 HydrophobicContact CG1-CZ 3.52Å
557	Y	98.7	Very high	98	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.071	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.9	-178.3	-160.7	-90.9	0	0	0	109.5	S506 E508 C544 R545 T547 Y559 H595 H596	S506-Y557 WeakPolarHBondContact CB-OH 3.14Å; S506-Y557 PolarHBondContact OG-OH 3.21Å; E508-Y557 HydrophobicContact CB-CD2 3.56Å; E508-Y557 HydrophobicContact CB-CE2 3.96Å; E508-Y557 HydrophobicContact CB-CG 4.43Å; E508-Y557 HydrophobicContact CG-CD2 4.24Å; E508-Y557 HydrophobicContact CG-CE2 4.17Å; C544-Y557 CarbonylContact C-O 3.51Å; C544-Y557 VanDerWaalsContact CA-O 3.27Å; C544-Y557 WeakPolarHBondContact CA-O 3.47Å; R545-Y557 PolarHBondContact N-O 2.67Å; R545-Y557 PolarHBondContact O-N 3.47Å; T547-Y557 HydrophobicContact CG2-CG 4.19Å; Y557-Y559 HydrophobicContact CD1-CD2 4.43Å; Y557-Y559 AromaticContact CD1-CE2 3.93Å; Y557-Y559 HydrophobicContact CD1-CE2 3.93Å; Y557-Y559 HydrophobicContact CE1-CE1 4.07Å; Y557-Y559 AromaticContact CE1-CE2 3.89Å; Y557-Y559 HydrophobicContact CE1-CE2 3.89Å; Y557-Y559 AromaticContact CE1-CZ 3.61Å; Y557-H595 AromaticContact CD2-CE1 3.89Å; Y557-H595 AromaticContact CE2-CE1 3.81Å; Y557-H595 AromaticContact CE2-NE2 3.85Å; Y557-H596 AromaticContact CE2-NE2 3.6Å
558	F	98.8	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149	-178.4	-63.3	-94	0	0	0	110.7	S506 F507 T509 V523 K524 T543 C544 V556 I585	S506-F558 WeakPolarHBondContact CA-O 3.24Å; S506-F558 WeakPolarHBondContact CB-O 3.38Å; F507-F558 HydrophobicContact CD1-CB 4.27Å; F507-F558 HydrophobicContact CD2-CB 3.99Å; F507-F558 AromaticContact CD2-CD2 4Å; F507-F558 HydrophobicContact CD2-CD2 4Å; F507-F558 HydrophobicContact CD2-CG 4.29Å; F507-F558 HydrophobicContact CE1-CB 3.78Å; F507-F558 HydrophobicContact CE2-CB 3.47Å; F507-F558 VanDerWaalsContact CE2-CB 3.47Å; F507-F558 HydrophobicContact CE2-CD1 4.38Å; F507-F558 AromaticContact CE2-CD2 3.48Å; F507-F558 HydrophobicContact CE2-CD2 3.48Å; F507-F558 VanDerWaalsContact CE2-CD2 3.48Å; F507-F558 HydrophobicContact CE2-CE2 4.29Å; F507-F558 AromaticContact CE2-CG 3.53Å; F507-F558 HydrophobicContact CE2-CG 3.53Å; F507-F558 HydrophobicContact CG-CB 4.34Å; F507-F558 HydrophobicContact CZ-CB 3.32Å; F507-F558 HydrophobicContact CZ-CD1 4.31Å; F507-F558 HydrophobicContact CZ-CD2 4.15Å; F507-F558 AromaticContact CZ-CG 3.7Å; F507-F558 HydrophobicContact CZ-CG 3.7Å; F507-F558 PolarHBondContact N-O 2.8Å; F507-F558 VanDerWaalsContact N-O 3.1Å; F507-F558 PolarHBondContact O-N 2.92Å; T509-F558 HydrophobicContact CG2-CE2 4.25Å; V523-F558 HydrophobicContact CB-CE1 3.89Å; V523-F558 HydrophobicContact CB-CZ 3.93Å; V523-F558 HydrophobicContact CG1-CD1 4.1Å; V523-F558 HydrophobicContact CG1-CE1 3.81Å; V523-F558 HydrophobicContact CG1-CE2 4.42Å; V523-F558 HydrophobicContact CG1-CZ 3.98Å; V523-F558 HydrophobicContact CG2-CZ 4.25Å; K524-F558 HydrophobicContact CG-CD1 4.45Å; K524-F558 HydrophobicContact CG-CE1 4.34Å; T543-F558 CarbonylContact O-C 3.57Å; T543-F558 VanDerWaalsContact O-CA 3.25Å; T543-F558 WeakPolarHBondContact O-CA 3.42Å; C544-F558 HydrophobicContact CB-CD1 3.55Å; C544-F558 HydrophobicContact CB-CE1 3.62Å; C544-F558 HydrophobicContact CB-CG 4.24Å; C544-F558 HydrophobicContact CB-CZ 4.37Å; V556-F558 HydrophobicContact CB-CE2 4.08Å; V556-F558 HydrophobicContact CG1-CD2 4.03Å; V556-F558 HydrophobicContact CG1-CE1 4.27Å; V556-F558 HydrophobicContact CG1-CE2 3.38Å; V556-F558 HydrophobicContact CG1-CZ 3.52Å; F558-I585 HydrophobicContact CE2-CD1 4.48Å
559	Y	98.4	Very high	97.7	Very high	45 Å²	45	35.6 Å²	35.6	18%	0.176	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.7	159.2	-70.9	-82.8	0	0	0	108.6	I490 T543 Y557	I490-Y559 HydrophobicContact CG2-CE1 3.99Å; T543-Y559 PolarHBondContact N-O 3.42Å; T543-Y559 VanDerWaalsContact N-O 3.12Å; T543-Y559 PolarHBondContact O-N 2.89Å; Y557-Y559 HydrophobicContact CD1-CD2 4.43Å; Y557-Y559 AromaticContact CD1-CE2 3.93Å; Y557-Y559 HydrophobicContact CD1-CE2 3.93Å; Y557-Y559 HydrophobicContact CE1-CE1 4.07Å; Y557-Y559 AromaticContact CE1-CE2 3.89Å; Y557-Y559 HydrophobicContact CE1-CE2 3.89Å; Y557-Y559 AromaticContact CE1-CZ 3.61Å
560	F	98.3	Very high	97.7	Very high	1 Å²	1	36 Å²	36	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.2	174.7	164.9	-136	0	0	0	109.4	G504 E505 F507 I527 C531 P540 L541 F562 Y574 V577	G504-F560 CarbonylContact C-O 3.47Å; G504-F560 WeakPolarHBondContact CA-O 3.44Å; E505-F560 PolarHBondContact N-O 3.2Å; E505-F560 PolarHBondContact O-N 2.95Å; F507-F560 HydrophobicContact CE1-CB 3.77Å; I527-F560 HydrophobicContact CD1-CB 4.24Å; I527-F560 HydrophobicContact CD1-CG 4.39Å; I527-F560 HydrophobicContact CG2-CD2 3.4Å; I527-F560 HydrophobicContact CG2-CE2 3.53Å; I527-F560 HydrophobicContact CG2-CG 4.05Å; I527-F560 HydrophobicContact CG2-CZ 4.27Å; C531-F560 WeakPolarHBondContact SG-CE2 3.38Å; C531-F560 VanDerWaalsContact SG-CZ 3.59Å; P540-F560 HydrophobicContact CB-CD2 4.37Å; P540-F560 HydrophobicContact CB-CE2 3.95Å; L541-F560 WeakPolarHBondContact O-CA 3.47Å; F560-F562 HydrophobicContact CE1-CD1 4.33Å; F560-F562 HydrophobicContact CE1-CE1 4.26Å; F560-F562 AromaticContact CE2-CD1 3.57Å; F560-F562 HydrophobicContact CE2-CD1 3.57Å; F560-F562 HydrophobicContact CE2-CE1 4.25Å; F560-F562 AromaticContact CZ-CD1 3.38Å; F560-F562 HydrophobicContact CZ-CD1 3.38Å; F560-F562 AromaticContact CZ-CE1 3.58Å; F560-F562 HydrophobicContact CZ-CE1 3.58Å; F560-Y574 HydrophobicContact CD1-CD2 4.08Å; F560-Y574 HydrophobicContact CD1-CE1 4.45Å; F560-Y574 AromaticContact CD1-CE2 3.35Å; F560-Y574 HydrophobicContact CD1-CE2 3.35Å; F560-Y574 AromaticContact CD1-CZ 3.54Å; F560-Y574 WeakPolarHBondContact CD1-OH 3.37Å; F560-Y574 AromaticContact CE1-CD2 3.6Å; F560-Y574 HydrophobicContact CE1-CD2 3.6Å; F560-Y574 AromaticContact CE1-CE2 3.37Å; F560-Y574 HydrophobicContact CE1-CE2 3.37Å; F560-Y574 HydrophobicContact CE1-CG 4.22Å; F560-Y574 AromaticContact CE1-CZ 3.87Å; F560-Y574 HydrophobicContact CG-CE2 4.12Å; F560-Y574 HydrophobicContact CZ-CD2 4.18Å; F560-Y574 HydrophobicContact CZ-CE2 4.18Å; F560-V577 HydrophobicContact CD1-CG1 4.31Å; F560-V577 HydrophobicContact CE1-CB 3.74Å; F560-V577 HydrophobicContact CE1-CG1 3.51Å; F560-V577 HydrophobicContact CE2-CG1 4.18Å; F560-V577 HydrophobicContact CZ-CB 3.82Å; F560-V577 HydrophobicContact CZ-CG1 3.43Å; F560-V577 VanDerWaalsContact CZ-CG1 3.43Å; F560-V577 HydrophobicContact CZ-CG2 4.37Å
561	A	98.5	Very high	97.6	Very high	12 Å²	12	33.7 Å²	33.7	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.1	176.6	0	0	0	0	0	111.5	F115 V502 I503 P540 L541	F115-A561 HydrophobicContact CE1-CB 3.82Å; F115-A561 HydrophobicContact CZ-CB 3.89Å; V502-A561 HydrophobicContact CG1-CB 4.24Å; I503-A561 CarbonylContact O-C 2.97Å; I503-A561 WeakPolarHBondContact O-CA 3.42Å; I503-A561 WeakPolarHBondContact O-CB 3.37Å; P540-A561 CarbonylContact C-O 3.55Å; P540-A561 WeakPolarHBondContact CA-O 3.29Å; L541-A561 HydrophobicContact CB-CB 4.32Å; L541-A561 PolarHBondContact N-O 3.42Å; L541-A561 PolarHBondContact O-N 3.23Å
562	F	98.4	Very high	97.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.8	173.5	66.6	-90.4	0	0	0	112.3	V502 I503 V536 P540 F560 L567 V573 Y574	V502-F562 WeakPolarHBondContact CA-O 3.15Å; I503-F562 HydrophobicContact CD1-CE1 4.15Å; I503-F562 HydrophobicContact CD1-CE2 4.18Å; I503-F562 HydrophobicContact CD1-CZ 3.71Å; I503-F562 HydrophobicContact CG1-CE1 4.19Å; I503-F562 HydrophobicContact CG1-CE2 4.25Å; I503-F562 HydrophobicContact CG1-CZ 4.03Å; I503-F562 PolarHBondContact N-O 2.96Å; I503-F562 PolarHBondContact O-N 3.26Å; V536-F562 HydrophobicContact CB-CD2 4.47Å; V536-F562 HydrophobicContact CG1-CB 3.91Å; V536-F562 HydrophobicContact CG1-CD2 3.64Å; V536-F562 HydrophobicContact CG1-CE2 4.46Å; V536-F562 HydrophobicContact CG1-CG 4Å; V536-F562 HydrophobicContact CG2-CD2 3.91Å; V536-F562 HydrophobicContact CG2-CE2 3.97Å; V536-F562 HydrophobicContact CG2-CG 4.38Å; V536-F562 HydrophobicContact CG2-CZ 4.45Å; P540-F562 HydrophobicContact CB-CB 4.05Å; F560-F562 HydrophobicContact CE1-CD1 4.33Å; F560-F562 HydrophobicContact CE1-CE1 4.26Å; F560-F562 AromaticContact CE2-CD1 3.57Å; F560-F562 HydrophobicContact CE2-CD1 3.57Å; F560-F562 HydrophobicContact CE2-CE1 4.25Å; F560-F562 AromaticContact CZ-CD1 3.38Å; F560-F562 HydrophobicContact CZ-CD1 3.38Å; F560-F562 AromaticContact CZ-CE1 3.58Å; F560-F562 HydrophobicContact CZ-CE1 3.58Å; F562-L567 HydrophobicContact CE2-CD1 3.62Å; F562-L567 HydrophobicContact CZ-CD1 4.31Å; F562-V573 HydrophobicContact CZ-CG1 4.09Å; F562-Y574 HydrophobicContact CD1-CD2 4.27Å; F562-Y574 AromaticContact CE1-CD2 3.65Å; F562-Y574 HydrophobicContact CE1-CD2 3.65Å; F562-Y574 HydrophobicContact CE1-CG 4.33Å
563	N	97.9	Very high	97.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.7	172	-178.1	-18.1	0	0	0	109.8	F115 Y501 V502 F538 R565	F115-N563 HydrophobicContact CB-CB 4.27Å; F115-N563 VanDerWaalsContact O-CB 3.23Å; F115-N563 WeakPolarHBondContact O-CB 3.26Å; F115-N563 PolarHBondContact O-ND2 3.01Å; Y501-N563 CarbonylContact O-C 3.51Å; Y501-N563 VanDerWaalsContact O-CA 3.26Å; Y501-N563 WeakPolarHBondContact O-CA 3.49Å; Y501-N563 PolarHBondContact O-OD1 3.34Å; V502-N563 HydrophobicContact CG2-CB 4.49Å; F538-N563 HydrophobicContact CB-CB 4.19Å; F538-N563 HydrophobicContact CD2-CB 3.69Å; F538-N563 HydrophobicContact CE2-CB 4.41Å; F538-N563 HydrophobicContact CG-CB 4.11Å; N563-R565 WeakPolarHBondContact OD1-CB 3.45Å; N563-R565 VanDerWaalsContact OD1-CG 3.29Å; N563-R565 WeakPolarHBondContact OD1-CG 3.35Å; N563-R565 PolarHBondContact OD1-N 3.06Å; N563-R565 VanDerWaalsContact OD1-N 3.1Å
564	Y	97.1	Very high	97.6	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.075	18%	0.177	C	C	.	.			trans	-92.7	7.6	-171	70	-98.1	0	0	0	114.5	F174 Y501 I503 G566 L567 P570	F174-Y564 HydrophobicContact CE2-CE1 4.34Å; Y501-Y564 HydrophobicContact CD1-CD2 4.09Å; Y501-Y564 HydrophobicContact CD1-CE1 4.25Å; Y501-Y564 AromaticContact CD1-CE2 3.41Å; Y501-Y564 HydrophobicContact CD1-CE2 3.41Å; Y501-Y564 VanDerWaalsContact CD1-CE2 3.41Å; Y501-Y564 AromaticContact CD1-CZ 3.48Å; Y501-Y564 VanDerWaalsContact CD1-CZ 3.48Å; Y501-Y564 HydrophobicContact CE1-CE2 4.04Å; Y501-Y564 HydrophobicContact CG-CE1 4.47Å; Y501-Y564 HydrophobicContact CG-CE2 4.37Å; Y501-Y564 WeakPolarHBondContact O-CD1 3.29Å; Y501-Y564 WeakPolarHBondContact O-CE1 3.22Å; Y501-Y564 PolarHBondContact O-N 2.98Å; I503-Y564 HydrophobicContact CB-CD1 4.24Å; I503-Y564 HydrophobicContact CD1-CD1 4.34Å; I503-Y564 HydrophobicContact CG1-CD1 3.94Å; I503-Y564 HydrophobicContact CG2-CD1 3.63Å; I503-Y564 HydrophobicContact CG2-CE1 3.64Å; Y564-G566 PolarHBondContact O-N 2.95Å; Y564-L567 WeakPolarHBondContact O-CB 3.31Å; Y564-L567 PolarHBondContact O-N 2.99Å; Y564-L567 VanDerWaalsContact O-N 3.11Å; Y564-P570 HydrophobicContact CD2-CB 3.58Å; Y564-P570 HydrophobicContact CD2-CG 3.74Å; Y564-P570 HydrophobicContact CE2-CB 4.44Å; Y564-P570 HydrophobicContact CE2-CG 4.15Å; Y564-P570 HydrophobicContact CG-CB 3.63Å; Y564-P570 HydrophobicContact CG-CG 4.22Å
565	R	95.4	Very high	97.5	Very high	83 Å²	83	33.7 Å²	33.7	31%	0.313	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.9	177.3	-73.3	-175.6	73.1	-155.8	9.3	111.4	H121 Y501 N563	H121-R565 PolarHBondContact CD2-NH2 3.46Å; H121-R565 VanDerWaalsContact CD2-NH2 3.32Å; H121-R565 PolarHBondContact CE1-NH1 2.81Å; H121-R565 PolarHBondContact CE1-NH2 3.23Å; H121-R565 PolarHBondContact ND1-NH1 2.82Å; H121-R565 PolarHBondContact NE2-NH2 3.15Å; Y501-R565 HydrophobicContact CD1-CG 3.67Å; Y501-R565 HydrophobicContact CD2-CG 4.24Å; Y501-R565 HydrophobicContact CE1-CG 4.41Å; Y501-R565 HydrophobicContact CG-CG 3.6Å; N563-R565 WeakPolarHBondContact OD1-CB 3.45Å; N563-R565 VanDerWaalsContact OD1-CG 3.29Å; N563-R565 WeakPolarHBondContact OD1-CG 3.35Å; N563-R565 PolarHBondContact OD1-N 3.06Å; N563-R565 VanDerWaalsContact OD1-N 3.1Å
566	G	94.3	Very high	97.5	Very high	68 Å²	68	37.2 Å²	37.2	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	-6.6	-178.7	0	0	0	0	0	114.6	Y564	Y564-G566 PolarHBondContact O-N 2.95Å
567	L	96.5	Very high	97.5	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.178	21%	0.209	C	C	.	.			trans	-89.1	141.3	172.3	-58.8	177.9	0	0	0	110.9	V536 F562 Y564 P570 V573	V536-L567 HydrophobicContact CG2-CD1 4.26Å; F562-L567 HydrophobicContact CE2-CD1 3.62Å; F562-L567 HydrophobicContact CZ-CD1 4.31Å; Y564-L567 WeakPolarHBondContact O-CB 3.31Å; Y564-L567 PolarHBondContact O-N 2.99Å; Y564-L567 VanDerWaalsContact O-N 3.11Å; L567-P570 HydrophobicContact CB-CB 4.46Å; L567-V573 HydrophobicContact CD1-CB 4.26Å; L567-V573 HydrophobicContact CD1-CG1 4.09Å; L567-V573 HydrophobicContact CD1-CG2 4.33Å
568	S	94.3	Very high	97.5	Very high	129 Å²	129	37 Å²	37	90%	0.902	21%	0.208	S	C	*	.	S	Bend	trans	-79.9	-36.6	175.4	54.7	0	0	0	0	113
569	D	96.1	Very high	97.5	Very high	81 Å²	81	39.5 Å²	39.5	43%	0.433	22%	0.22	S	C	.	.			trans	-131.9	82.5	179.9	-168.7	-15.4	0	0	0	110.3	V571 H572 V573	D569-V571 VanDerWaalsContact C-N 3.34Å; D569-V571 PolarHBondContact O-N 2.99Å; D569-H572 HydrophobicContact CB-CB 4.22Å; D569-H572 WeakPolarHBondContact OD1-CB 3.42Å; D569-H572 PolarHBondContact OD1-N 3.48Å; D569-H572 VanDerWaalsContact OD1-N 3.13Å; D569-H572 WeakPolarHBondContact OD2-CB 2.97Å; D569-V573 WeakPolarHBondContact O-CG2 3.43Å; D569-V573 PolarHBondContact O-N 3.07Å
570	P	97.4	Very high	97.5	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-71.8	-28.9	-171.9	31.8	-38.5	0	0	0	113	F174 I503 Y564 L567 Y574	F174-P570 HydrophobicContact CE1-CG 4.46Å; F174-P570 HydrophobicContact CE2-CG 4.4Å; F174-P570 HydrophobicContact CZ-CG 3.85Å; I503-P570 HydrophobicContact CD1-CB 4.04Å; I503-P570 WeakPolarHBondContact CD1-O 3.42Å; Y564-P570 HydrophobicContact CD2-CB 3.58Å; Y564-P570 HydrophobicContact CD2-CG 3.74Å; Y564-P570 HydrophobicContact CE2-CB 4.44Å; Y564-P570 HydrophobicContact CE2-CG 4.15Å; Y564-P570 HydrophobicContact CG-CB 3.63Å; Y564-P570 HydrophobicContact CG-CG 4.22Å; L567-P570 HydrophobicContact CB-CB 4.46Å; P570-Y574 WeakPolarHBondContact O-CB 3.38Å; P570-Y574 PolarHBondContact O-N 3.48Å
571	V	97.7	Very high	97.5	Very high	21 Å²	21	37.5 Å²	37.5	13%	0.127	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-47.7	178.2	176.5	0	0	0	0	109.7	L170 H171 F174 D569 V573 Y574 E575	L170-V571 HydrophobicContact CD2-CG1 4.33Å; L170-V571 HydrophobicContact CD2-CG2 4.2Å; H171-V571 HydrophobicContact CB-CG1 3.58Å; F174-V571 HydrophobicContact CB-CG2 3.96Å; F174-V571 HydrophobicContact CD1-CG2 3.36Å; F174-V571 HydrophobicContact CD2-CG2 4.11Å; F174-V571 HydrophobicContact CE1-CG2 3.76Å; F174-V571 HydrophobicContact CE2-CG2 4.47Å; F174-V571 HydrophobicContact CG-CG2 3.54Å; F174-V571 HydrophobicContact CZ-CG2 4.32Å; D569-V571 VanDerWaalsContact C-N 3.34Å; D569-V571 PolarHBondContact O-N 2.99Å; V571-V573 VanDerWaalsContact C-N 3.32Å; V571-V573 PolarHBondContact O-N 2.92Å; V571-Y574 WeakPolarHBondContact O-CB 3.5Å; V571-Y574 PolarHBondContact O-N 2.84Å; V571-Y574 VanDerWaalsContact O-N 3.1Å; V571-E575 HydrophobicContact CG1-CG 4.49Å; V571-E575 WeakPolarHBondContact O-CG 3.38Å; V571-E575 PolarHBondContact O-N 3.2Å
572	H	97.9	Very high	97.5	Very high	87 Å²	87	37 Å²	37	40%	0.403	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-40.4	178.4	-172	60.6	0	0	0	112.4	D569 Y574 E575 Q576	D569-H572 HydrophobicContact CB-CB 4.22Å; D569-H572 WeakPolarHBondContact OD1-CB 3.42Å; D569-H572 PolarHBondContact OD1-N 3.48Å; D569-H572 VanDerWaalsContact OD1-N 3.13Å; D569-H572 WeakPolarHBondContact OD2-CB 2.97Å; H572-Y574 VanDerWaalsContact C-N 3.33Å; H572-Y574 PolarHBondContact O-N 2.89Å; H572-E575 PolarHBondContact O-N 2.95Å; H572-Q576 PolarHBondContact CD2-NE2 3.24Å; H572-Q576 PolarHBondContact NE2-NE2 2.91Å; H572-Q576 WeakPolarHBondContact O-CG 3.39Å; H572-Q576 PolarHBondContact O-N 2.85Å
573	V	98.4	Very high	97.6	Very high	19 Å²	19	41 Å²	41	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-43.9	173.5	170.9	0	0	0	0	111	K534 V536 F562 L567 D569 V571 Q576 V577	K534-V573 HydrophobicContact CB-CG1 3.9Å; K534-V573 HydrophobicContact CD-CG1 4.09Å; V536-V573 HydrophobicContact CG2-CG1 4.2Å; F562-V573 HydrophobicContact CZ-CG1 4.09Å; L567-V573 HydrophobicContact CD1-CB 4.26Å; L567-V573 HydrophobicContact CD1-CG1 4.09Å; L567-V573 HydrophobicContact CD1-CG2 4.33Å; D569-V573 WeakPolarHBondContact O-CG2 3.43Å; D569-V573 PolarHBondContact O-N 3.07Å; V571-V573 VanDerWaalsContact C-N 3.32Å; V571-V573 PolarHBondContact O-N 2.92Å; V573-Q576 PolarHBondContact O-N 3.02Å; V573-V577 VanDerWaalsContact O-CG2 3.28Å; V573-V577 WeakPolarHBondContact O-CG2 3.36Å; V573-V577 PolarHBondContact O-N 2.83Å; V573-V577 VanDerWaalsContact O-N 3.15Å
574	Y	98.6	Very high	97.6	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-49.8	176.5	-175.5	-81.3	0	0	0	111.7	L170 I503 E505 F560 F562 P570 V571 H572 Q576 V577 E578	L170-Y574 HydrophobicContact CB-CE1 4.45Å; L170-Y574 HydrophobicContact CD1-CD1 3.78Å; L170-Y574 HydrophobicContact CD1-CD2 3.55Å; L170-Y574 HydrophobicContact CD1-CE1 3.83Å; L170-Y574 HydrophobicContact CD1-CE2 3.63Å; L170-Y574 HydrophobicContact CD1-CG 3.68Å; L170-Y574 HydrophobicContact CD2-CD1 4.32Å; L170-Y574 HydrophobicContact CD2-CG 4.27Å; L170-Y574 HydrophobicContact CG-CD1 4.44Å; I503-Y574 HydrophobicContact CD1-CD2 4.27Å; I503-Y574 HydrophobicContact CD1-CG 4.47Å; I503-Y574 HydrophobicContact CG1-CD2 4.38Å; E505-Y574 HydrophobicContact CB-CE1 4.32Å; E505-Y574 VanDerWaalsContact CB-OH 3.28Å; E505-Y574 WeakPolarHBondContact CB-OH 3.26Å; E505-Y574 PolarHBondContact N-OH 3.4Å; E505-Y574 PolarHBondContact O-OH 3.37Å; F560-Y574 HydrophobicContact CD1-CD2 4.08Å; F560-Y574 HydrophobicContact CD1-CE1 4.45Å; F560-Y574 AromaticContact CD1-CE2 3.35Å; F560-Y574 HydrophobicContact CD1-CE2 3.35Å; F560-Y574 AromaticContact CD1-CZ 3.54Å; F560-Y574 WeakPolarHBondContact CD1-OH 3.37Å; F560-Y574 AromaticContact CE1-CD2 3.6Å; F560-Y574 HydrophobicContact CE1-CD2 3.6Å; F560-Y574 AromaticContact CE1-CE2 3.37Å; F560-Y574 HydrophobicContact CE1-CE2 3.37Å; F560-Y574 HydrophobicContact CE1-CG 4.22Å; F560-Y574 AromaticContact CE1-CZ 3.87Å; F560-Y574 HydrophobicContact CG-CE2 4.12Å; F560-Y574 HydrophobicContact CZ-CD2 4.18Å; F560-Y574 HydrophobicContact CZ-CE2 4.18Å; F562-Y574 HydrophobicContact CD1-CD2 4.27Å; F562-Y574 AromaticContact CE1-CD2 3.65Å; F562-Y574 HydrophobicContact CE1-CD2 3.65Å; F562-Y574 HydrophobicContact CE1-CG 4.33Å; P570-Y574 WeakPolarHBondContact O-CB 3.38Å; P570-Y574 PolarHBondContact O-N 3.48Å; V571-Y574 WeakPolarHBondContact O-CB 3.5Å; V571-Y574 PolarHBondContact O-N 2.84Å; V571-Y574 VanDerWaalsContact O-N 3.1Å; H572-Y574 VanDerWaalsContact C-N 3.33Å; H572-Y574 PolarHBondContact O-N 2.89Å; Y574-Q576 PolarHBondContact O-N 3.12Å; Y574-V577 PolarHBondContact O-N 2.83Å; Y574-V577 VanDerWaalsContact O-N 3.12Å; Y574-E578 HydrophobicContact CE1-CB 4.16Å; Y574-E578 PolarHBondContact O-N 2.96Å
575	E	98.1	Very high	97.7	Very high	70 Å²	70	41.6 Å²	41.6	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-42.2	-178.3	-71.2	177.9	154.9	0	0	112.1	H171 V571 H572 V577 E578 H579	H171-E575 IonicContact CE1-OE1 3.14Å; H171-E575 IonicContact CG-OE1 2.7Å; H171-E575 IonicContact ND1-OE1 3.05Å; H171-E575 PolarHBondContact ND1-OE1 3.36Å; V571-E575 HydrophobicContact CG1-CG 4.49Å; V571-E575 WeakPolarHBondContact O-CG 3.38Å; V571-E575 PolarHBondContact O-N 3.2Å; H572-E575 PolarHBondContact O-N 2.95Å; E575-V577 VanDerWaalsContact C-N 3.3Å; E575-V577 PolarHBondContact O-N 3.33Å; E575-E578 PolarHBondContact O-N 2.95Å; E575-H579 VanDerWaalsContact O-CB 3.27Å; E575-H579 WeakPolarHBondContact O-CB 3.36Å; E575-H579 PolarHBondContact O-N 2.77Å
576	Q	98.4	Very high	97.8	Very high	73 Å²	73	40 Å²	40	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-36.2	175.3	-70.3	-178.2	-12.5	0	0	112.6	K534 H572 V573 Y574 A580	K534-Q576 HydrophobicContact CD-CB 4.15Å; H572-Q576 PolarHBondContact CD2-NE2 3.24Å; H572-Q576 PolarHBondContact NE2-NE2 2.91Å; H572-Q576 WeakPolarHBondContact O-CG 3.39Å; H572-Q576 PolarHBondContact O-N 2.85Å; V573-Q576 PolarHBondContact O-N 3.02Å; Y574-Q576 PolarHBondContact O-N 3.12Å; Q576-A580 WeakPolarHBondContact O-CB 3.42Å; Q576-A580 PolarHBondContact O-N 2.87Å; Q576-A580 VanDerWaalsContact O-N 3.08Å
577	V	98.6	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-40	177.6	178.6	0	0	0	0	111.2	I527 E530 K534 F560 V573 Y574 E575 A580 A581	I527-V577 HydrophobicContact CB-CG1 4.37Å; I527-V577 HydrophobicContact CG1-CG1 4.21Å; I527-V577 HydrophobicContact CG2-CG1 4.14Å; E530-V577 HydrophobicContact CB-CB 4.43Å; E530-V577 HydrophobicContact CB-CG1 4.1Å; E530-V577 HydrophobicContact CB-CG2 3.93Å; K534-V577 HydrophobicContact CD-CG2 3.83Å; F560-V577 HydrophobicContact CD1-CG1 4.31Å; F560-V577 HydrophobicContact CE1-CB 3.74Å; F560-V577 HydrophobicContact CE1-CG1 3.51Å; F560-V577 HydrophobicContact CE2-CG1 4.18Å; F560-V577 HydrophobicContact CZ-CB 3.82Å; F560-V577 HydrophobicContact CZ-CG1 3.43Å; F560-V577 VanDerWaalsContact CZ-CG1 3.43Å; F560-V577 HydrophobicContact CZ-CG2 4.37Å; V573-V577 VanDerWaalsContact O-CG2 3.28Å; V573-V577 WeakPolarHBondContact O-CG2 3.36Å; V573-V577 PolarHBondContact O-N 2.83Å; V573-V577 VanDerWaalsContact O-N 3.15Å; Y574-V577 PolarHBondContact O-N 2.83Å; Y574-V577 VanDerWaalsContact O-N 3.12Å; E575-V577 VanDerWaalsContact C-N 3.3Å; E575-V577 PolarHBondContact O-N 3.33Å; V577-A580 PolarHBondContact O-N 3.29Å; V577-A581 WeakPolarHBondContact O-CB 3.32Å; V577-A581 PolarHBondContact O-N 2.92Å
578	E	98.4	Very high	98.1	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-41.3	175.4	-164.2	-80.4	158.5	0	0	111.4	F507 Y574 E575 A580 A581 R582	F507-E578 HydrophobicContact CD1-CG 4.24Å; Y574-E578 HydrophobicContact CE1-CB 4.16Å; Y574-E578 PolarHBondContact O-N 2.96Å; E575-E578 PolarHBondContact O-N 2.95Å; E578-A580 PolarHBondContact O-N 2.87Å; E578-A581 CarbonylContact O-C 3.54Å; E578-A581 WeakPolarHBondContact O-CA 3.49Å; E578-A581 WeakPolarHBondContact O-CB 3.45Å; E578-A581 PolarHBondContact O-N 3.05Å; E578-A581 VanDerWaalsContact O-N 3.14Å; E578-R582 PolarHBondContact O-N 3.48Å; E578-R582 IonicContact OE1-CZ 2.84Å; E578-R582 IonicContact OE1-NE 3.09Å; E578-R582 IonicContact OE1-NH2 3.72Å; E578-R582 PolarHBondContact OE1-NH2 2.94Å
579	H	98.5	Very high	98.3	Very high	52 Å²	52	35 Å²	35	24%	0.241	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-50.3	173.3	-178.4	-72.6	0	0	0	111.3	E575 A581 R582 E583 E604 W605	E575-H579 VanDerWaalsContact O-CB 3.27Å; E575-H579 WeakPolarHBondContact O-CB 3.36Å; E575-H579 PolarHBondContact O-N 2.77Å; H579-A581 VanDerWaalsContact C-N 3.29Å; H579-A581 PolarHBondContact O-N 3.23Å; H579-R582 WeakPolarHBondContact O-CA 3.33Å; H579-R582 VanDerWaalsContact O-CB 3.26Å; H579-R582 WeakPolarHBondContact O-CB 2.92Å; H579-R582 PolarHBondContact O-N 3.02Å; H579-E583 IonicContact CE1-OE1 2.76Å; H579-E583 IonicContact ND1-OE1 3.4Å; H579-E583 PolarHBondContact O-N 3.46Å; H579-E604 IonicContact CD2-OE1 3.97Å; H579-E604 PolarHBondContact CD2-OE1 2.91Å; H579-E604 IonicContact CD2-OE2 3.28Å; H579-E604 VanDerWaalsContact NE2-CD 3.3Å; H579-E604 IonicContact NE2-OE1 2.72Å; H579-E604 PolarHBondContact NE2-OE1 3.34Å; H579-E604 IonicContact NE2-OE2 3.52Å; H579-E604 PolarHBondContact NE2-OE2 3.5Å; H579-E604 VanDerWaalsContact NE2-OE2 3.12Å; H579-W605 HydrophobicContact CB-CH2 4.44Å; H579-W605 AromaticContact CD2-CH2 3.31Å; H579-W605 WeakPolarHBondContact CD2-CH2 3.32Å; H579-W605 AromaticContact CD2-CZ2 3.39Å; H579-W605 WeakPolarHBondContact CD2-CZ2 3.46Å; H579-W605 AromaticContact CE1-CZ2 3.69Å; H579-W605 AromaticContact CG-CH2 3.88Å; H579-W605 AromaticContact CG-CZ2 3.84Å; H579-W605 AromaticContact NE2-CH2 3.69Å; H579-W605 AromaticContact NE2-CZ2 3.29Å; H579-W605 VanDerWaalsContact NE2-CZ2 3.29Å; H579-W605 WeakPolarHBondContact NE2-CZ2 3.43Å
580	A	98.8	Very high	98.4	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-36	175.6	0	0	0	0	0	112.9	R526 E530 Q576 V577 E578 R582 E584	R526-A580 HydrophobicContact CG-CB 4.49Å; R526-A580 PolarHBondContact NH1-O 3.45Å; E530-A580 HydrophobicContact CG-CB 3.77Å; Q576-A580 WeakPolarHBondContact O-CB 3.42Å; Q576-A580 PolarHBondContact O-N 2.87Å; Q576-A580 VanDerWaalsContact O-N 3.08Å; V577-A580 PolarHBondContact O-N 3.29Å; E578-A580 PolarHBondContact O-N 2.87Å; A580-R582 VanDerWaalsContact C-N 3.32Å; A580-E584 PolarHBondContact O-N 2.85Å; A580-E584 VanDerWaalsContact O-N 3.08Å
581	A	98.8	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-34.5	173	0	0	0	0	0	111.8	F507 V523 I527 V577 E578 H579 E584 I585	F507-A581 HydrophobicContact CE2-CB 4.41Å; F507-A581 HydrophobicContact CZ-CB 4.14Å; V523-A581 HydrophobicContact CG1-CB 4.19Å; I527-A581 HydrophobicContact CD1-CB 4.08Å; I527-A581 HydrophobicContact CG1-CB 3.88Å; V577-A581 WeakPolarHBondContact O-CB 3.32Å; V577-A581 PolarHBondContact O-N 2.92Å; E578-A581 CarbonylContact O-C 3.54Å; E578-A581 WeakPolarHBondContact O-CA 3.49Å; E578-A581 WeakPolarHBondContact O-CB 3.45Å; E578-A581 PolarHBondContact O-N 3.05Å; E578-A581 VanDerWaalsContact O-N 3.14Å; H579-A581 VanDerWaalsContact C-N 3.29Å; H579-A581 PolarHBondContact O-N 3.23Å; A581-E584 PolarHBondContact O-N 3.04Å; A581-I585 WeakPolarHBondContact O-CG1 3.46Å; A581-I585 PolarHBondContact O-N 3.42Å
582	R	98.7	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-45.2	174.3	-171.9	59	56.9	-172	-8.4	112.1	E508 E578 H579 A580 E584 I585 L586 L592 W605	E508-R582 PolarHBondContact O-NH1 3.26Å; E578-R582 PolarHBondContact O-N 3.48Å; E578-R582 IonicContact OE1-CZ 2.84Å; E578-R582 IonicContact OE1-NE 3.09Å; E578-R582 IonicContact OE1-NH2 3.72Å; E578-R582 PolarHBondContact OE1-NH2 2.94Å; H579-R582 WeakPolarHBondContact O-CA 3.33Å; H579-R582 VanDerWaalsContact O-CB 3.26Å; H579-R582 WeakPolarHBondContact O-CB 2.92Å; H579-R582 PolarHBondContact O-N 3.02Å; A580-R582 VanDerWaalsContact C-N 3.32Å; R582-E584 VanDerWaalsContact C-N 3.25Å; R582-E584 PolarHBondContact O-N 3.39Å; R582-I585 WeakPolarHBondContact O-CB 3.46Å; R582-I585 PolarHBondContact O-N 2.9Å; R582-I585 VanDerWaalsContact O-N 3.14Å; R582-L586 HydrophobicContact CG-CD1 4.49Å; R582-L586 WeakPolarHBondContact O-CG 3.2Å; R582-L586 PolarHBondContact O-N 3.49Å; R582-L592 HydrophobicContact CG-CD1 4.24Å; R582-L592 PolarHBondContact NH1-O 2.82Å; R582-W605 HydrophobicContact CB-CH2 3.89Å; R582-W605 HydrophobicContact CB-CZ2 3.93Å; R582-W605 HydrophobicContact CB-CZ3 4.44Å; R582-W605 HydrophobicContact CG-CD2 4.12Å; R582-W605 HydrophobicContact CG-CE3 4.04Å; R582-W605 HydrophobicContact CG-CH2 3.78Å; R582-W605 HydrophobicContact CG-CZ2 3.84Å; R582-W605 HydrophobicContact CG-CZ3 3.89Å
583	E	98.7	Very high	98.6	Very high	84 Å²	84	28.8 Å²	28.8	39%	0.393	17%	0.17	S	C	.	.	H	α-helix	trans	-56.3	-43.9	173.1	-66.4	-175.4	144.5	0	0	111.1	R526 H579 I585 L586 A587	R526-E583 IonicContact NH2-OE2 3.51Å; R526-E583 PolarHBondContact NH2-OE2 2.92Å; R526-E583 VanDerWaalsContact NH2-OE2 3.09Å; H579-E583 IonicContact CE1-OE1 2.76Å; H579-E583 IonicContact ND1-OE1 3.4Å; H579-E583 PolarHBondContact O-N 3.46Å; E583-I585 PolarHBondContact O-N 3.1Å; E583-L586 PolarHBondContact O-N 3.2Å; E583-A587 VanDerWaalsContact O-CB 3.32Å; E583-A587 WeakPolarHBondContact O-CB 3.41Å; E583-A587 PolarHBondContact O-N 3.11Å
584	E	98.9	Very high	98.6	Very high	34 Å²	34	29.5 Å²	29.5	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-40.4	177	-167.7	67.9	-138.5	0	0	111.7	N522 V523 R526 A580 A581 R582 L586 A587 N588	N522-E584 HydrophobicContact CB-CG 4.29Å; V523-E584 HydrophobicContact CG2-CB 4.17Å; V523-E584 HydrophobicContact CG2-CG 3.92Å; R526-E584 HydrophobicContact CB-CB 4.18Å; R526-E584 HydrophobicContact CB-CG 3.93Å; R526-E584 HydrophobicContact CG-CB 4.06Å; R526-E584 HydrophobicContact CG-CG 4.31Å; R526-E584 IonicContact NH1-OE2 2.72Å; R526-E584 PolarHBondContact NH1-OE2 3.49Å; R526-E584 VanDerWaalsContact NH1-OE2 3.16Å; A580-E584 PolarHBondContact O-N 2.85Å; A580-E584 VanDerWaalsContact O-N 3.08Å; A581-E584 PolarHBondContact O-N 3.04Å; R582-E584 VanDerWaalsContact C-N 3.25Å; R582-E584 PolarHBondContact O-N 3.39Å; E584-L586 PolarHBondContact O-N 3.01Å; E584-A587 PolarHBondContact O-N 3.42Å; E584-N588 WeakPolarHBondContact O-CB 3.49Å; E584-N588 PolarHBondContact O-N 3.39Å; E584-N588 PolarHBondContact O-ND2 3.37Å; E584-N588 PolarHBondContact OE1-ND2 3.37Å
585	I	98.8	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-52.5	173.3	-79	169.6	0	0	0	110.5	F507 T509 I519 V523 F558 A581 R582 E583 N588 G589 G590	F507-I585 HydrophobicContact CD2-CD1 3.82Å; F507-I585 HydrophobicContact CE2-CD1 3.75Å; T509-I585 HydrophobicContact CG2-CD1 4.22Å; T509-I585 HydrophobicContact CG2-CG1 4.29Å; T509-I585 HydrophobicContact CG2-CG2 4.01Å; T509-I585 VanDerWaalsContact OG1-CG2 3.32Å; T509-I585 WeakPolarHBondContact OG1-CG2 3.42Å; I519-I585 HydrophobicContact CD1-CB 4.3Å; I519-I585 HydrophobicContact CD1-CG1 4.26Å; I519-I585 HydrophobicContact CD1-CG2 4.13Å; I519-I585 HydrophobicContact CG1-CG1 4.42Å; V523-I585 HydrophobicContact CG1-CG1 4.49Å; V523-I585 HydrophobicContact CG2-CG1 3.66Å; F558-I585 HydrophobicContact CE2-CD1 4.48Å; A581-I585 WeakPolarHBondContact O-CG1 3.46Å; A581-I585 PolarHBondContact O-N 3.42Å; R582-I585 WeakPolarHBondContact O-CB 3.46Å; R582-I585 PolarHBondContact O-N 2.9Å; R582-I585 VanDerWaalsContact O-N 3.14Å; E583-I585 PolarHBondContact O-N 3.1Å; I585-N588 PolarHBondContact O-N 3.11Å; I585-G589 PolarHBondContact O-N 3.41Å; I585-G590 PolarHBondContact O-N 3.02Å
586	L	98.7	Very high	98.6	Very high	48 Å²	48	28.8 Å²	28.8	25%	0.251	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-43.3	-177.1	-65.2	174.4	0	0	0	111.2	R582 E583 E584 N588 G589 L592 W605	R582-L586 HydrophobicContact CG-CD1 4.49Å; R582-L586 WeakPolarHBondContact O-CG 3.2Å; R582-L586 PolarHBondContact O-N 3.49Å; E583-L586 PolarHBondContact O-N 3.2Å; E584-L586 PolarHBondContact O-N 3.01Å; L586-N588 PolarHBondContact O-N 3.05Å; L586-G589 PolarHBondContact O-N 3.21Å; L586-L592 HydrophobicContact CD2-CB 4.43Å; L586-W605 HydrophobicContact CD1-CB 4.15Å; L586-W605 HydrophobicContact CD1-CD2 4.36Å; L586-W605 HydrophobicContact CD1-CG 3.71Å
587	A	98.4	Very high	98.6	Very high	76 Å²	76	25.8 Å²	25.8	63%	0.628	16%	0.158	S	C	*	.	H	α-helix	trans	-62.2	-28	176.8	0	0	0	0	0	113.3	E583 E584 G589	E583-A587 VanDerWaalsContact O-CB 3.32Å; E583-A587 WeakPolarHBondContact O-CB 3.41Å; E583-A587 PolarHBondContact O-N 3.11Å; E584-A587 PolarHBondContact O-N 3.42Å; A587-G589 VanDerWaalsContact C-N 3.35Å
588	N	98.6	Very high	98.6	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.059	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.1	176.6	-75.9	-89	0	0	0	113.6	R515 I519 N522 E584 I585 L586	R515-N588 PolarHBondContact NE-O 3.23Å; R515-N588 PolarHBondContact NH2-O 3.04Å; I519-N588 HydrophobicContact CB-CB 3.98Å; I519-N588 HydrophobicContact CD1-CB 4.2Å; I519-N588 HydrophobicContact CG1-CB 3.87Å; N522-N588 PolarHBondContact ND2-OD1 2.88Å; E584-N588 WeakPolarHBondContact O-CB 3.49Å; E584-N588 PolarHBondContact O-N 3.39Å; E584-N588 PolarHBondContact O-ND2 3.37Å; E584-N588 PolarHBondContact OE1-ND2 3.37Å; I585-N588 PolarHBondContact O-N 3.11Å; L586-N588 PolarHBondContact O-N 3.05Å
589	G	97.9	Very high	98.6	Very high	39 Å²	39	25.9 Å²	25.9	40%	0.402	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	18.8	178.7	0	0	0	0	0	114.2	P512 I585 L586 A587	P512-G589 WeakPolarHBondContact CD-O 3.42Å; I585-G589 PolarHBondContact O-N 3.41Å; L586-G589 PolarHBondContact O-N 3.21Å; A587-G589 VanDerWaalsContact C-N 3.35Å
590	G	98.6	Very high	98.6	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	16%	0.157	C	C	.	.			trans	-79.1	155.4	168.4	0	0	0	0	0	112	T509 S510 I585	T509-G590 WeakPolarHBondContact OG1-CA 3.49Å; S510-G590 CarbonylContact O-C 3.59Å; S510-G590 WeakPolarHBondContact O-CA 3.27Å; I585-G590 PolarHBondContact O-N 3.02Å
591	S	98.8	Very high	98.6	Very high	34 Å²	34	27.4 Å²	27.4	24%	0.238	17%	0.166	C	C	.	.			trans	-74.4	157.5	173	72.1	0	0	0	0	112.1	T509 S510 S593	T509-S591 WeakPolarHBondContact CB-O 3.26Å; T509-S591 PolarHBondContact OG1-N 3.36Å; T509-S591 PolarHBondContact OG1-O 3.32Å; S510-S591 PolarHBondContact N-OG 3.11Å; S510-S591 PolarHBondContact O-N 3.23Å; S510-S591 PolarHBondContact O-OG 3.27Å; S510-S591 WeakPolarHBondContact OG-CB 3.23Å; S510-S591 PolarHBondContact OG-OG 3.48Å; S591-S593 VanDerWaalsContact C-N 3.29Å; S591-S593 PolarHBondContact O-N 3.38Å; S591-S593 PolarHBondContact OG-O 3.03Å
592	L	98.6	Very high	98.6	Very high	6 Å²	6	27.5 Å²	27.5	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-57	-41.7	175.4	-177.6	57.5	0	0	0	112.5	R582 L586 V598 R602 W605 M606 T609	R582-L592 HydrophobicContact CG-CD1 4.24Å; R582-L592 PolarHBondContact NH1-O 2.82Å; L586-L592 HydrophobicContact CD2-CB 4.43Å; L592-V598 HydrophobicContact CD2-CG2 4Å; L592-R602 HydrophobicContact CD1-CB 3.95Å; L592-R602 HydrophobicContact CD1-CG 4.42Å; L592-R602 HydrophobicContact CD2-CB 4.27Å; L592-R602 HydrophobicContact CG-CB 4.17Å; L592-W605 HydrophobicContact CD1-CB 3.72Å; L592-W605 HydrophobicContact CD1-CD2 4.12Å; L592-W605 HydrophobicContact CD1-CE3 3.86Å; L592-W605 HydrophobicContact CD1-CG 4.11Å; L592-W605 HydrophobicContact CD2-CB 4.13Å; L592-M606 HydrophobicContact CD2-SD 4.21Å; L592-T609 HydrophobicContact CB-CG2 4.02Å; L592-T609 HydrophobicContact CD2-CG2 4.35Å
593	S	98.8	Very high	98.6	Very high	25 Å²	25	30.5 Å²	30.5	18%	0.175	18%	0.179	C	C	.	.			trans	-153.6	153.8	172.8	177.8	0	0	0	0	108.6	E508 S591 H595 H596 G597	E508-S593 WeakPolarHBondContact OE1-CA 3.34Å; E508-S593 WeakPolarHBondContact OE1-CB 3.23Å; E508-S593 PolarHBondContact OE1-OG 3.33Å; S591-S593 VanDerWaalsContact C-N 3.29Å; S591-S593 PolarHBondContact O-N 3.38Å; S591-S593 PolarHBondContact OG-O 3.03Å; S593-H595 PolarHBondContact OG-N 3.33Å; S593-H596 PolarHBondContact OG-N 3.13Å; S593-H596 VanDerWaalsContact OG-N 3.1Å; S593-G597 PolarHBondContact OG-N 3.03Å
594	H	98.8	Very high	98.5	Very high	33 Å²	33	32.1 Å²	32.1	15%	0.153	19%	0.187	C	C	.	.	S	Bend	trans	-101.2	-38.4	165.6	161.2	-72.9	0	0	0	111.6	E508 Y550	E508-H594 PolarHBondContact OE1-N 3.48Å; E508-H594 WeakPolarHBondContact OE2-CA 3.35Å; E508-H594 WeakPolarHBondContact OE2-CB 3.34Å; E508-H594 IonicContact OE2-CG 3.16Å; E508-H594 PolarHBondContact OE2-N 3Å; E508-H594 IonicContact OE2-ND1 3.33Å; Y550-H594 AromaticContact CE2-CD2 3.87Å; Y550-H594 AromaticContact CE2-NE2 3.37Å; Y550-H594 WeakPolarHBondContact CE2-NE2 3.14Å; Y550-H594 AromaticContact CZ-NE2 3.39Å; Y550-H594 PolarHBondContact OH-CE1 3.34Å; Y550-H594 PolarHBondContact OH-NE2 3.5Å
595	H	98.6	Very high	98.5	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.199	18%	0.182	C	C	.	.	S	Bend	trans	-151.4	-8.4	-177.3	64.9	-69.9	0	0	0	116.7	E508 Y557 S593 G597	E508-H595 IonicContact OE2-CE1 3.43Å; E508-H595 PolarHBondContact OE2-CE1 2.91Å; E508-H595 IonicContact OE2-CG 2.92Å; E508-H595 PolarHBondContact OE2-N 3.36Å; E508-H595 IonicContact OE2-ND1 3.73Å; E508-H595 PolarHBondContact OE2-ND1 2.79Å; Y557-H595 AromaticContact CD2-CE1 3.89Å; Y557-H595 AromaticContact CE2-CE1 3.81Å; Y557-H595 AromaticContact CE2-NE2 3.85Å; S593-H595 PolarHBondContact OG-N 3.33Å; H595-G597 VanDerWaalsContact C-N 3.28Å
596	H	98.7	Very high	98.4	Very high	19 Å²	19	31.9 Å²	31.9	9%	0.088	19%	0.185	C	C	.	.	S	Bend	trans	-74.6	-21.8	174	-73.8	-171.8	0	0	0	112.5	V220 E508 Y557 S593	V220-H596 HydrophobicContact CG2-CB 3.87Å; V220-H596 VanDerWaalsContact CG2-CG 3.46Å; E508-H596 HydrophobicContact CG-CB 4.26Å; E508-H596 WeakPolarHBondContact OE1-CB 3.08Å; E508-H596 IonicContact OE1-CG 3.84Å; E508-H596 PolarHBondContact OE1-N 3.07Å; Y557-H596 AromaticContact CE2-NE2 3.6Å; S593-H596 PolarHBondContact OG-N 3.13Å; S593-H596 VanDerWaalsContact OG-N 3.1Å
597	G	98.5	Very high	98.3	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	20%	0.204	C	C	.	.			trans	80.8	-173.1	-174.6	0	0	0	0	0	112.5	S593 H595 R602	S593-G597 PolarHBondContact OG-N 3.03Å; H595-G597 VanDerWaalsContact C-N 3.28Å; G597-R602 PolarHBondContact O-NH1 2.91Å
598	V	98.8	Very high	98.1	Very high	17 Å²	17	41.6 Å²	41.6	10%	0.103	21%	0.209	C	C	.	.			trans	-102	-46.8	-174.2	174.2	0	0	0	0	110.7	E347 L592 K600 L601 R602 M606 L636	E347-V598 PolarHBondContact OE1-N 2.87Å; L592-V598 HydrophobicContact CD2-CG2 4Å; V598-K600 PolarHBondContact O-N 3.28Å; V598-L601 PolarHBondContact O-N 3.48Å; V598-R602 HydrophobicContact CG1-CB 4.11Å; V598-R602 PolarHBondContact O-N 3.37Å; V598-M606 HydrophobicContact CB-SD 4.33Å; V598-M606 HydrophobicContact CG1-CG 3.76Å; V598-M606 HydrophobicContact CG1-SD 3.84Å; V598-M606 HydrophobicContact CG2-SD 3.7Å; V598-L636 HydrophobicContact CB-CD2 3.7Å; V598-L636 HydrophobicContact CG1-CD2 4.13Å; V598-L636 HydrophobicContact CG2-CD2 4.26Å
599	G	98.6	Very high	98	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-131.6	-175.1	0	0	0	0	0	112.2	S221 E347 N635 L636	S221-G599 CarbonylContact O-C 3.36Å; S221-G599 WeakPolarHBondContact O-CA 3.39Å; E347-G599 VanDerWaalsContact CD-N 3.33Å; E347-G599 PolarHBondContact OE1-N 3.22Å; E347-G599 WeakPolarHBondContact OE2-CA 3.34Å; E347-G599 PolarHBondContact OE2-N 2.93Å; G599-N635 WeakPolarHBondContact O-CA 3.35Å; G599-L636 PolarHBondContact O-N 3.44Å
600	K	98.5	Very high	98	Very high	46 Å²	46	45.1 Å²	45.1	20%	0.2	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-31.3	168.4	-72.9	-177.8	-76.3	-69.1	0	111.7	S221 S222 E225 V598 R602 K603 N633 N635	S221-K600 PolarHBondContact O-N 2.87Å; S222-K600 WeakPolarHBondContact O-CE 3.43Å; S222-K600 PolarHBondContact O-NZ 3.26Å; E225-K600 VanDerWaalsContact O-CE 3.29Å; E225-K600 WeakPolarHBondContact O-CE 3.22Å; E225-K600 PolarHBondContact O-NZ 2.84Å; V598-K600 PolarHBondContact O-N 3.28Å; K600-R602 VanDerWaalsContact C-N 3.28Å; K600-R602 PolarHBondContact O-N 2.89Å; K600-K603 WeakPolarHBondContact O-CB 3.37Å; K600-K603 PolarHBondContact O-N 2.69Å; K600-N633 PolarHBondContact NZ-O 3.46Å; K600-N635 PolarHBondContact NZ-OD1 3.47Å
601	L	98.1	Very high	97.9	Very high	43 Å²	43	47.6 Å²	47.6	23%	0.225	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-35.1	-173.1	-177.9	61	0	0	0	113.7	S221 V598	S221-L601 WeakPolarHBondContact O-CB 3.37Å; S221-L601 PolarHBondContact O-N 2.94Å; S221-L601 VanDerWaalsContact O-N 3.1Å; V598-L601 PolarHBondContact O-N 3.48Å
602	R	98.5	Very high	97.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	13.3	-173.4	-60.8	172.8	-169.5	93.2	14.6	113.5	V220 L592 G597 V598 K600 E604 W605	V220-R602 PolarHBondContact O-NH1 3.39Å; V220-R602 PolarHBondContact O-NH2 3.43Å; L592-R602 HydrophobicContact CD1-CB 3.95Å; L592-R602 HydrophobicContact CD1-CG 4.42Å; L592-R602 HydrophobicContact CD2-CB 4.27Å; L592-R602 HydrophobicContact CG-CB 4.17Å; G597-R602 PolarHBondContact O-NH1 2.91Å; V598-R602 HydrophobicContact CG1-CB 4.11Å; V598-R602 PolarHBondContact O-N 3.37Å; K600-R602 VanDerWaalsContact C-N 3.28Å; K600-R602 PolarHBondContact O-N 2.89Å; R602-E604 VanDerWaalsContact C-N 3.28Å; R602-E604 PolarHBondContact O-N 3.46Å; R602-W605 HydrophobicContact CB-CE3 4.07Å; R602-W605 HydrophobicContact CB-CZ3 4.28Å; R602-W605 HydrophobicContact CG-CZ3 4.32Å; R602-W605 PolarHBondContact O-N 2.98Å
603	K	98.1	Very high	97.9	Very high	62 Å²	62	56.4 Å²	56.4	27%	0.27	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62.4	-32.9	-171	-177.8	174.4	177.4	172.5	0	113.2	K600 W605 M606 R634 L637	K600-K603 WeakPolarHBondContact O-CB 3.37Å; K600-K603 PolarHBondContact O-N 2.69Å; K603-W605 VanDerWaalsContact C-N 3.28Å; K603-W605 PolarHBondContact O-N 2.95Å; K603-M606 WeakPolarHBondContact O-CB 3.18Å; K603-M606 WeakPolarHBondContact O-CG 3.35Å; K603-M606 PolarHBondContact O-N 3.2Å; K603-R634 PolarHBondContact NZ-O 2.95Å; K603-L637 WeakPolarHBondContact CE-O 3.5Å; K603-L637 WeakPolarHBondContact CE-OXT 3.45Å; K603-L637 PolarHBondContact NZ-O 2.99Å; K603-L637 PolarHBondContact NZ-OXT 3.14Å
604	E	97.6	Very high	97.9	Very high	119 Å²	119	56 Å²	56	56%	0.556	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.3	-34.6	-177.2	68.3	-173.1	123.8	0	0	113.3	H579 R602 M606	H579-E604 IonicContact CD2-OE1 3.97Å; H579-E604 PolarHBondContact CD2-OE1 2.91Å; H579-E604 IonicContact CD2-OE2 3.28Å; H579-E604 VanDerWaalsContact NE2-CD 3.3Å; H579-E604 IonicContact NE2-OE1 2.72Å; H579-E604 PolarHBondContact NE2-OE1 3.34Å; H579-E604 IonicContact NE2-OE2 3.52Å; H579-E604 PolarHBondContact NE2-OE2 3.5Å; H579-E604 VanDerWaalsContact NE2-OE2 3.12Å; R602-E604 VanDerWaalsContact C-N 3.28Å; R602-E604 PolarHBondContact O-N 3.46Å; E604-M606 VanDerWaalsContact C-N 3.33Å; E604-M606 PolarHBondContact O-N 3.44Å
605	W	98.4	Very high	97.9	Very high	14 Å²	14	55.6 Å²	55.6	5%	0.053	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-83.7	-1.8	-179.1	-61.8	-73.9	0	0	0	114.3	H579 R582 L586 L592 R602 K603 R607 E608 T609	H579-W605 HydrophobicContact CB-CH2 4.44Å; H579-W605 AromaticContact CD2-CH2 3.31Å; H579-W605 WeakPolarHBondContact CD2-CH2 3.32Å; H579-W605 AromaticContact CD2-CZ2 3.39Å; H579-W605 WeakPolarHBondContact CD2-CZ2 3.46Å; H579-W605 AromaticContact CE1-CZ2 3.69Å; H579-W605 AromaticContact CG-CH2 3.88Å; H579-W605 AromaticContact CG-CZ2 3.84Å; H579-W605 AromaticContact NE2-CH2 3.69Å; H579-W605 AromaticContact NE2-CZ2 3.29Å; H579-W605 VanDerWaalsContact NE2-CZ2 3.29Å; H579-W605 WeakPolarHBondContact NE2-CZ2 3.43Å; R582-W605 HydrophobicContact CB-CH2 3.89Å; R582-W605 HydrophobicContact CB-CZ2 3.93Å; R582-W605 HydrophobicContact CB-CZ3 4.44Å; R582-W605 HydrophobicContact CG-CD2 4.12Å; R582-W605 HydrophobicContact CG-CE3 4.04Å; R582-W605 HydrophobicContact CG-CH2 3.78Å; R582-W605 HydrophobicContact CG-CZ2 3.84Å; R582-W605 HydrophobicContact CG-CZ3 3.89Å; L586-W605 HydrophobicContact CD1-CB 4.15Å; L586-W605 HydrophobicContact CD1-CD2 4.36Å; L586-W605 HydrophobicContact CD1-CG 3.71Å; L592-W605 HydrophobicContact CD1-CB 3.72Å; L592-W605 HydrophobicContact CD1-CD2 4.12Å; L592-W605 HydrophobicContact CD1-CE3 3.86Å; L592-W605 HydrophobicContact CD1-CG 4.11Å; L592-W605 HydrophobicContact CD2-CB 4.13Å; R602-W605 HydrophobicContact CB-CE3 4.07Å; R602-W605 HydrophobicContact CB-CZ3 4.28Å; R602-W605 HydrophobicContact CG-CZ3 4.32Å; R602-W605 PolarHBondContact O-N 2.98Å; K603-W605 VanDerWaalsContact C-N 3.28Å; K603-W605 PolarHBondContact O-N 2.95Å; W605-R607 VanDerWaalsContact C-N 3.34Å; W605-R607 PolarHBondContact O-N 3.34Å; W605-E608 PolarHBondContact O-N 3.46Å; W605-T609 WeakPolarHBondContact O-CB 3.29Å; W605-T609 PolarHBondContact O-N 3.48Å; W605-T609 PolarHBondContact O-OG1 3.27Å
606	M	97.7	Very high	97.9	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.069	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-41.5	-174.8	-81.2	-66.6	-72.5	0	0	112.9	L592 V598 K603 E604 E608 T609 V610 V615 L618	L592-M606 HydrophobicContact CD2-SD 4.21Å; V598-M606 HydrophobicContact CB-SD 4.33Å; V598-M606 HydrophobicContact CG1-CG 3.76Å; V598-M606 HydrophobicContact CG1-SD 3.84Å; V598-M606 HydrophobicContact CG2-SD 3.7Å; K603-M606 WeakPolarHBondContact O-CB 3.18Å; K603-M606 WeakPolarHBondContact O-CG 3.35Å; K603-M606 PolarHBondContact O-N 3.2Å; E604-M606 VanDerWaalsContact C-N 3.33Å; E604-M606 PolarHBondContact O-N 3.44Å; M606-E608 VanDerWaalsContact C-N 3.28Å; M606-E608 PolarHBondContact O-N 3.09Å; M606-T609 PolarHBondContact O-N 3.08Å; M606-V610 HydrophobicContact CE-CG2 4.14Å; M606-V610 WeakPolarHBondContact O-CG2 3.49Å; M606-V610 PolarHBondContact O-N 3.3Å; M606-V615 HydrophobicContact CB-CG2 4.42Å; M606-L618 HydrophobicContact CE-CD1 3.82Å
607	R	95.6	Very high	97.9	Very high	172 Å²	172	60.2 Å²	60.2	65%	0.649	32%	0.321	S	S	*	.	H	α-helix	trans	-62.8	-36.8	-179.5	-69.1	-176.2	-175.7	-173.8	2.3	112.4	W605 S611 V615	W605-R607 VanDerWaalsContact C-N 3.34Å; W605-R607 PolarHBondContact O-N 3.34Å; R607-S611 CarbonylContact O-C 3.51Å; R607-S611 WeakPolarHBondContact O-CA 3.23Å; R607-S611 PolarHBondContact O-N 3.03Å; R607-S611 VanDerWaalsContact O-N 3.08Å; R607-V615 HydrophobicContact CG-CG2 4.13Å
608	E	95.1	Very high	97.9	Very high	157 Å²	157	63.2 Å²	63.2	73%	0.734	33%	0.334	S	S	*	.	H	α-helix	trans	-76.3	-34.5	177.3	-64.1	172.6	176.1	0	0	111.3	W605 M606	W605-E608 PolarHBondContact O-N 3.46Å; M606-E608 VanDerWaalsContact C-N 3.28Å; M606-E608 PolarHBondContact O-N 3.09Å
609	T	96	Very high	97.9	Very high	64 Å²	64	67.3 Å²	67.3	39%	0.393	35%	0.35	S	S	.	.	H	α-helix	trans	-74.7	-43.5	-176.3	-58.1	0	0	0	0	112.9	L592 W605 M606	L592-T609 HydrophobicContact CB-CG2 4.02Å; L592-T609 HydrophobicContact CD2-CG2 4.35Å; W605-T609 WeakPolarHBondContact O-CB 3.29Å; W605-T609 PolarHBondContact O-N 3.48Å; W605-T609 PolarHBondContact O-OG1 3.27Å; M606-T609 PolarHBondContact O-N 3.08Å
610	V	96.8	Very high	97.9	Very high	59 Å²	59	70.6 Å²	70.6	36%	0.358	37%	0.373	S	S	.	.	H	α-helix	trans	-118.7	8.9	-175.1	-55.9	0	0	0	0	114.2	M606 G614 V615	M606-V610 HydrophobicContact CE-CG2 4.14Å; M606-V610 WeakPolarHBondContact O-CG2 3.49Å; M606-V610 PolarHBondContact O-N 3.3Å; V610-G614 WeakPolarHBondContact O-CA 3.43Å; V610-G614 PolarHBondContact O-N 3.42Å; V610-V615 HydrophobicContact CG2-CG2 3.78Å
611	S	98.1	Very high	97.9	Very high	61 Å²	61	69.9 Å²	69.9	43%	0.427	37%	0.373	S	S	.	.	H	α-helix	trans	67.2	159.9	-172.9	82.2	0	0	0	0	114.9	R607 V613 G614 V615	R607-S611 CarbonylContact O-C 3.51Å; R607-S611 WeakPolarHBondContact O-CA 3.23Å; R607-S611 PolarHBondContact O-N 3.03Å; R607-S611 VanDerWaalsContact O-N 3.08Å; S611-V613 VanDerWaalsContact C-N 3.26Å; S611-V613 PolarHBondContact O-N 2.82Å; S611-V613 PolarHBondContact OG-N 2.92Å; S611-G614 PolarHBondContact O-N 3.46Å; S611-G614 PolarHBondContact OG-N 3.21Å; S611-V615 PolarHBondContact O-N 2.88Å
612	N	98.1	Very high	98	Very high	115 Å²	115	68.7 Å²	68.7	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-58.6	-36.5	173.7	-71.1	-32.9	0	0	0	112.9	G616	N612-G616 PolarHBondContact O-N 3.32Å
613	V	98.6	Very high	98	Very high	109 Å²	109	72 Å²	72	66%	0.661	38%	0.384	S	S	*	.	H	α-helix	trans	-68.3	-42.7	177.5	176.9	0	0	0	0	110.4	S611 G616 M617	S611-V613 VanDerWaalsContact C-N 3.26Å; S611-V613 PolarHBondContact O-N 2.82Å; S611-V613 PolarHBondContact OG-N 2.92Å; V613-G616 CarbonylContact O-C 3.55Å; V613-G616 WeakPolarHBondContact O-CA 3.44Å; V613-G616 PolarHBondContact O-N 2.74Å; V613-G616 VanDerWaalsContact O-N 3.13Å; V613-M617 HydrophobicContact CG1-SD 4.43Å; V613-M617 WeakPolarHBondContact O-CG 3.4Å; V613-M617 PolarHBondContact O-N 3.48Å
614	G	98.5	Very high	98	Very high	16 Å²	16	76.2 Å²	76.2	17%	0.165	40%	0.399	C	S	.	.	H	α-helix	trans	-63	-43.2	176.3	0	0	0	0	0	112.6	V610 S611 G616 M617 L618	V610-G614 WeakPolarHBondContact O-CA 3.43Å; V610-G614 PolarHBondContact O-N 3.42Å; S611-G614 PolarHBondContact O-N 3.46Å; S611-G614 PolarHBondContact OG-N 3.21Å; G614-G616 VanDerWaalsContact C-N 3.3Å; G614-G616 PolarHBondContact O-N 3.09Å; G614-M617 WeakPolarHBondContact O-CB 3.29Å; G614-M617 PolarHBondContact O-N 2.9Å; G614-L618 WeakPolarHBondContact O-CG 3.16Å; G614-L618 PolarHBondContact O-N 3.08Å
615	V	98.5	Very high	98.1	Very high	25 Å²	25	71.1 Å²	71.1	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-42.2	171	172.8	0	0	0	0	111	M606 R607 V610 S611 M617 L618 K619 L637	M606-V615 HydrophobicContact CB-CG2 4.42Å; R607-V615 HydrophobicContact CG-CG2 4.13Å; V610-V615 HydrophobicContact CG2-CG2 3.78Å; S611-V615 PolarHBondContact O-N 2.88Å; V615-M617 VanDerWaalsContact C-N 3.34Å; V615-M617 PolarHBondContact O-N 3.05Å; V615-L618 PolarHBondContact O-N 3.34Å; V615-K619 WeakPolarHBondContact O-CB 3.31Å; V615-K619 PolarHBondContact O-N 3.39Å; V615-L637 HydrophobicContact CG1-CD2 3.81Å
616	G	98.7	Very high	98.1	Very high	39 Å²	39	70.6 Å²	70.6	40%	0.402	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-38.7	174.8	0	0	0	0	0	113.4	N612 V613 G614 K619 S620	N612-G616 PolarHBondContact O-N 3.32Å; V613-G616 CarbonylContact O-C 3.55Å; V613-G616 WeakPolarHBondContact O-CA 3.44Å; V613-G616 PolarHBondContact O-N 2.74Å; V613-G616 VanDerWaalsContact O-N 3.13Å; G614-G616 VanDerWaalsContact C-N 3.3Å; G614-G616 PolarHBondContact O-N 3.09Å; G616-K619 PolarHBondContact O-N 3.35Å; G616-S620 WeakPolarHBondContact O-CB 3.45Å; G616-S620 PolarHBondContact O-N 2.85Å
617	M	98.8	Very high	98.1	Very high	121 Å²	121	73.2 Å²	73.2	60%	0.596	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-48.5	174.7	-69.7	172.8	66.9	0	0	111.4	V613 G614 V615 K619 S620 V621	V613-M617 HydrophobicContact CG1-SD 4.43Å; V613-M617 WeakPolarHBondContact O-CG 3.4Å; V613-M617 PolarHBondContact O-N 3.48Å; G614-M617 WeakPolarHBondContact O-CB 3.29Å; G614-M617 PolarHBondContact O-N 2.9Å; V615-M617 VanDerWaalsContact C-N 3.34Å; V615-M617 PolarHBondContact O-N 3.05Å; M617-K619 VanDerWaalsContact C-N 3.29Å; M617-K619 PolarHBondContact O-N 3.21Å; M617-S620 PolarHBondContact O-N 2.65Å; M617-S620 VanDerWaalsContact O-N 3.15Å; M617-S620 PolarHBondContact O-OG 2.83Å; M617-V621 PolarHBondContact O-N 3.14Å; M617-V621 VanDerWaalsContact O-N 3.09Å
618	L	98.7	Very high	98.3	Very high	72 Å²	72	70 Å²	70	38%	0.377	39%	0.388	S	S	.	.	H	α-helix	trans	-56.8	-45.2	175.2	-67.4	176.1	0	0	0	111.1	M606 G614 V615 S620 V621 K622 L637	M606-L618 HydrophobicContact CE-CD1 3.82Å; G614-L618 WeakPolarHBondContact O-CG 3.16Å; G614-L618 PolarHBondContact O-N 3.08Å; V615-L618 PolarHBondContact O-N 3.34Å; L618-S620 PolarHBondContact O-N 3.47Å; L618-V621 PolarHBondContact O-N 3.44Å; L618-K622 PolarHBondContact O-N 3.48Å; L618-L637 HydrophobicContact CB-CD1 4.18Å; L618-L637 HydrophobicContact CB-CD2 4.03Å; L618-L637 HydrophobicContact CB-CG 4.49Å
619	K	98.8	Very high	98.4	Very high	104 Å²	104	64.8 Å²	64.8	45%	0.452	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.2	179.3	165	175.2	48.2	0	112.4	V615 G616 M617 V621 K622 D623 L637	V615-K619 WeakPolarHBondContact O-CB 3.31Å; V615-K619 PolarHBondContact O-N 3.39Å; G616-K619 PolarHBondContact O-N 3.35Å; M617-K619 VanDerWaalsContact C-N 3.29Å; M617-K619 PolarHBondContact O-N 3.21Å; K619-V621 VanDerWaalsContact C-N 3.29Å; K619-V621 PolarHBondContact O-N 3.49Å; K619-K622 PolarHBondContact O-N 3.49Å; K619-D623 VanDerWaalsContact CE-OD2 3.29Å; K619-D623 WeakPolarHBondContact CE-OD2 3.38Å; K619-D623 WeakPolarHBondContact CG-OD2 3.34Å; K619-D623 VanDerWaalsContact NZ-CG 3.25Å; K619-D623 IonicContact NZ-OD1 3.96Å; K619-D623 PolarHBondContact NZ-OD1 2.65Å; K619-D623 IonicContact NZ-OD2 3.16Å; K619-D623 PolarHBondContact NZ-OD2 3.14Å; K619-D623 WeakPolarHBondContact O-CB 3.43Å; K619-D623 VanDerWaalsContact O-CG 3.23Å; K619-D623 PolarHBondContact O-N 3.03Å; K619-L637 HydrophobicContact CB-CD1 4.09Å
620	S	98.9	Very high	98.6	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-37.1	178.1	75	0	0	0	0	112.6	G616 M617 L618 Y624	G616-S620 WeakPolarHBondContact O-CB 3.45Å; G616-S620 PolarHBondContact O-N 2.85Å; M617-S620 PolarHBondContact O-N 2.65Å; M617-S620 VanDerWaalsContact O-N 3.15Å; M617-S620 PolarHBondContact O-OG 2.83Å; L618-S620 PolarHBondContact O-N 3.47Å; S620-Y624 VanDerWaalsContact O-CB 3.3Å; S620-Y624 WeakPolarHBondContact O-CB 3.37Å; S620-Y624 PolarHBondContact O-N 3.07Å
621	V	98.9	Very high	98.7	Very high	32 Å²	32	59 Å²	59	19%	0.194	33%	0.329	C	S	.	.	H	α-helix	trans	-67.2	-47.4	175.1	174.5	0	0	0	0	110.1	F342 L350 M617 L618 K619 Y624 V625	F342-V621 HydrophobicContact CD2-CG1 4.13Å; F342-V621 HydrophobicContact CD2-CG2 3.66Å; F342-V621 HydrophobicContact CE2-CG2 3.81Å; L350-V621 HydrophobicContact CD1-CG1 4.15Å; L350-V621 HydrophobicContact CD2-CG1 4.41Å; M617-V621 PolarHBondContact O-N 3.14Å; M617-V621 VanDerWaalsContact O-N 3.09Å; L618-V621 PolarHBondContact O-N 3.44Å; K619-V621 VanDerWaalsContact C-N 3.29Å; K619-V621 PolarHBondContact O-N 3.49Å; V621-Y624 PolarHBondContact O-N 3.27Å; V621-V625 HydrophobicContact CG1-CG1 4.48Å; V621-V625 WeakPolarHBondContact O-CG2 3.41Å; V621-V625 PolarHBondContact O-N 3.18Å
622	K	98.8	Very high	98.7	Very high	18 Å²	18	56 Å²	56	8%	0.078	31%	0.309	C	S	.	.	H	α-helix	trans	-57.3	-53.7	176.2	170	61.4	179.9	-173.2	0	111.9	T349 L350 L618 K619 Y624 V625 D626 N629 F631 L637	T349-K622 VanDerWaalsContact O-CD 3.28Å; T349-K622 WeakPolarHBondContact O-CD 3.38Å; T349-K622 PolarHBondContact O-NZ 3.34Å; L350-K622 HydrophobicContact CD2-CB 4Å; L350-K622 HydrophobicContact CD2-CD 4.09Å; L618-K622 PolarHBondContact O-N 3.48Å; K619-K622 PolarHBondContact O-N 3.49Å; K622-Y624 PolarHBondContact O-N 2.92Å; K622-V625 PolarHBondContact O-N 2.78Å; K622-D626 HydrophobicContact CD-CB 4.25Å; K622-D626 IonicContact NZ-OD2 3.93Å; K622-D626 PolarHBondContact NZ-OD2 3.47Å; K622-D626 CarbonylContact O-C 3.44Å; K622-D626 WeakPolarHBondContact O-CA 3.49Å; K622-D626 PolarHBondContact O-N 3.04Å; K622-N629 WeakPolarHBondContact CE-OD1 3.29Å; K622-N629 PolarHBondContact NZ-OD1 3.32Å; K622-F631 PolarHBondContact NZ-O 3.4Å; K622-L637 HydrophobicContact CB-CD1 4.07Å; K622-L637 HydrophobicContact CG-CD1 4.47Å
623	D	98.9	Very high	98.7	Very high	72 Å²	72	50.7 Å²	50.7	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-31	-178.7	-66.2	-12.4	0	0	0	111.3	K619 P627	K619-D623 VanDerWaalsContact CE-OD2 3.29Å; K619-D623 WeakPolarHBondContact CE-OD2 3.38Å; K619-D623 WeakPolarHBondContact CG-OD2 3.34Å; K619-D623 VanDerWaalsContact NZ-CG 3.25Å; K619-D623 IonicContact NZ-OD1 3.96Å; K619-D623 PolarHBondContact NZ-OD1 2.65Å; K619-D623 IonicContact NZ-OD2 3.16Å; K619-D623 PolarHBondContact NZ-OD2 3.14Å; K619-D623 WeakPolarHBondContact O-CB 3.43Å; K619-D623 VanDerWaalsContact O-CG 3.23Å; K619-D623 PolarHBondContact O-N 3.03Å; D623-P627 WeakPolarHBondContact O-CA 3.38Å; D623-P627 WeakPolarHBondContact O-CB 3.37Å
624	Y	98.8	Very high	98.7	Very high	150 Å²	150	49.7 Å²	49.7	59%	0.588	27%	0.265	S	S	*	.	H	α-helix	trans	-68.3	-69.8	168.8	-176.5	-101.4	0	0	0	110.1	R321 S620 V621 K622 D626 P627	R321-Y624 VanDerWaalsContact CD-O 3.24Å; R321-Y624 WeakPolarHBondContact CD-O 3.38Å; R321-Y624 PolarHBondContact NE-O 3.01Å; S620-Y624 VanDerWaalsContact O-CB 3.3Å; S620-Y624 WeakPolarHBondContact O-CB 3.37Å; S620-Y624 PolarHBondContact O-N 3.07Å; V621-Y624 PolarHBondContact O-N 3.27Å; K622-Y624 PolarHBondContact O-N 2.92Å; Y624-D626 VanDerWaalsContact C-N 3.29Å; Y624-D626 PolarHBondContact O-N 2.83Å; Y624-P627 WeakPolarHBondContact O-CD 3.22Å
625	V	98.8	Very high	98.7	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.073	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-26.4	-167.9	-56.5	0	0	0	0	114.4	T319 P320 R321 I324 L350 V621 K622	T319-V625 HydrophobicContact CG2-CB 4.37Å; P320-V625 WeakPolarHBondContact CD-O 3.36Å; R321-V625 PolarHBondContact N-O 2.64Å; I324-V625 HydrophobicContact CD1-CG1 4.43Å; L350-V625 HydrophobicContact CB-CG2 3.9Å; L350-V625 HydrophobicContact CD2-CG2 3.67Å; L350-V625 HydrophobicContact CG-CG2 4.25Å; V621-V625 HydrophobicContact CG1-CG1 4.48Å; V621-V625 WeakPolarHBondContact O-CG2 3.41Å; V621-V625 PolarHBondContact O-N 3.18Å; K622-V625 PolarHBondContact O-N 2.78Å
626	D	98.8	Very high	98.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.011	26%	0.255	C	S	.	.			trans	-140.3	73.5	-178.6	-179.7	18.8	0	0	0	111.8	P320 K622 Y624 N628 N629 I630 F631	P320-D626 HydrophobicContact CG-CB 3.9Å; P320-D626 WeakPolarHBondContact CG-OD1 3.47Å; K622-D626 HydrophobicContact CD-CB 4.25Å; K622-D626 IonicContact NZ-OD2 3.93Å; K622-D626 PolarHBondContact NZ-OD2 3.47Å; K622-D626 CarbonylContact O-C 3.44Å; K622-D626 WeakPolarHBondContact O-CA 3.49Å; K622-D626 PolarHBondContact O-N 3.04Å; Y624-D626 VanDerWaalsContact C-N 3.29Å; Y624-D626 PolarHBondContact O-N 2.83Å; D626-N628 VanDerWaalsContact C-N 3.27Å; D626-N628 PolarHBondContact O-N 3.41Å; D626-N629 PolarHBondContact O-N 2.88Å; D626-N629 WeakPolarHBondContact OD1-CA 3.21Å; D626-N629 PolarHBondContact OD1-N 3Å; D626-N629 VanDerWaalsContact OD1-N 3.13Å; D626-N629 VanDerWaalsContact OD2-CA 3.29Å; D626-N629 WeakPolarHBondContact OD2-CA 3.44Å; D626-I630 VanDerWaalsContact CG-N 3.28Å; D626-I630 WeakPolarHBondContact OD1-CB 3.35Å; D626-I630 PolarHBondContact OD1-N 2.83Å; D626-I630 PolarHBondContact OD2-N 3.26Å; D626-F631 WeakPolarHBondContact OD2-CB 3.21Å; D626-F631 PolarHBondContact OD2-N 3.43Å
627	P	98.4	Very high	98.5	Very high	70 Å²	70	50.9 Å²	50.9	46%	0.455	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25	-172.7	27.1	-34.4	0	0	0	113.7	D623 Y624	D623-P627 WeakPolarHBondContact O-CA 3.38Å; D623-P627 WeakPolarHBondContact O-CB 3.37Å; Y624-P627 WeakPolarHBondContact O-CD 3.22Å
628	N	98.4	Very high	98.5	Very high	104 Å²	104	47.4 Å²	47.4	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	7.6	-179.9	-65.3	-30.3	0	0	0	112.4	R232 D626 I630	R232-N628 PolarHBondContact NH1-O 2.91Å; D626-N628 VanDerWaalsContact C-N 3.27Å; D626-N628 PolarHBondContact O-N 3.41Å; N628-I630 VanDerWaalsContact C-N 3.26Å; N628-I630 HydrophobicContact CB-CD1 4.41Å; N628-I630 HydrophobicContact CB-CG1 4.36Å; N628-I630 PolarHBondContact O-N 3.46Å
629	N	98.8	Very high	98.5	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.251	23%	0.233	S	C	.	.			trans	50.4	45.6	-177.8	-169.4	42.1	0	0	0	112.5	R232 K622 D626 F631	R232-N629 PolarHBondContact NH1-O 2.77Å; R232-N629 VanDerWaalsContact NH1-O 3.14Å; R232-N629 PolarHBondContact NH2-O 3.1Å; K622-N629 WeakPolarHBondContact CE-OD1 3.29Å; K622-N629 PolarHBondContact NZ-OD1 3.32Å; D626-N629 PolarHBondContact O-N 2.88Å; D626-N629 WeakPolarHBondContact OD1-CA 3.21Å; D626-N629 PolarHBondContact OD1-N 3Å; D626-N629 VanDerWaalsContact OD1-N 3.13Å; D626-N629 VanDerWaalsContact OD2-CA 3.29Å; D626-N629 WeakPolarHBondContact OD2-CA 3.44Å; N629-F631 VanDerWaalsContact C-N 3.27Å; N629-F631 PolarHBondContact OD1-O 2.88Å
630	I	98.9	Very high	98.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.221	C	C	.	.	S	Bend	trans	-58.1	-43.8	172.4	-64	-59.9	0	0	0	109.4	A204 C210 L211 P320 D626 N628 G632	A204-I630 HydrophobicContact CB-CG2 3.89Å; C210-I630 CarbonylContact C-O 3.41Å; C210-I630 WeakPolarHBondContact CA-O 3.34Å; L211-I630 HydrophobicContact CB-CG2 4.35Å; L211-I630 HydrophobicContact CD1-CG2 3.9Å; L211-I630 HydrophobicContact CG-CG2 3.84Å; L211-I630 PolarHBondContact N-O 2.82Å; P320-I630 HydrophobicContact CG-CB 3.99Å; P320-I630 HydrophobicContact CG-CG1 4.23Å; P320-I630 HydrophobicContact CG-CG2 4.47Å; D626-I630 VanDerWaalsContact CG-N 3.28Å; D626-I630 WeakPolarHBondContact OD1-CB 3.35Å; D626-I630 PolarHBondContact OD1-N 2.83Å; D626-I630 PolarHBondContact OD2-N 3.26Å; N628-I630 VanDerWaalsContact C-N 3.26Å; N628-I630 HydrophobicContact CB-CD1 4.41Å; N628-I630 HydrophobicContact CB-CG1 4.36Å; N628-I630 PolarHBondContact O-N 3.46Å; I630-G632 VanDerWaalsContact C-N 3.31Å; I630-G632 PolarHBondContact O-N 3.4Å
631	F	98.9	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-83.4	76.1	173.7	-71.2	-85.1	0	0	0	110.3	V201 L211 P213 P320 G348 T349 G351 V352 K622 D626 N629	V201-F631 HydrophobicContact CG1-CE2 4.33Å; V201-F631 HydrophobicContact CG2-CE2 4.26Å; V201-F631 HydrophobicContact CG2-CZ 3.78Å; L211-F631 HydrophobicContact CB-CD1 4.3Å; L211-F631 HydrophobicContact CB-CE1 4.13Å; L211-F631 HydrophobicContact CD1-CE1 4.33Å; L211-F631 HydrophobicContact CD1-CZ 4.01Å; L211-F631 WeakPolarHBondContact O-CA 3.45Å; P213-F631 HydrophobicContact CG-CD1 3.8Å; P213-F631 HydrophobicContact CG-CE1 3.79Å; P320-F631 HydrophobicContact CG-CD2 3.86Å; P320-F631 HydrophobicContact CG-CE2 3.81Å; G348-F631 WeakPolarHBondContact O-CB 3.21Å; T349-F631 WeakPolarHBondContact O-CB 3.38Å; G351-F631 VanDerWaalsContact C-CE1 3.48Å; G351-F631 VanDerWaalsContact CA-CZ 3.46Å; V352-F631 HydrophobicContact CG2-CE1 3.56Å; V352-F631 HydrophobicContact CG2-CZ 3.83Å; K622-F631 PolarHBondContact NZ-O 3.4Å; D626-F631 WeakPolarHBondContact OD2-CB 3.21Å; D626-F631 PolarHBondContact OD2-N 3.43Å; N629-F631 VanDerWaalsContact C-N 3.27Å; N629-F631 PolarHBondContact OD1-O 2.88Å
632	G	98.5	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-99.8	27.7	-160.8	0	0	0	0	0	116.7	C210 L211 P227 I630 R634	C210-G632 VanDerWaalsContact SG-CA 3.58Å; L211-G632 PolarHBondContact O-N 2.91Å; P227-G632 WeakPolarHBondContact CG-O 3.46Å; I630-G632 VanDerWaalsContact C-N 3.31Å; I630-G632 PolarHBondContact O-N 3.4Å; G632-R634 PolarHBondContact O-N 3.01Å
633	N	98.5	Very high	98.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-69	-12	178.7	66	19	0	0	0	114.8	I212 E347 T349 K600 N635	I212-N633 HydrophobicContact CD1-CB 4.23Å; I212-N633 HydrophobicContact CG1-CB 4.12Å; I212-N633 HydrophobicContact CG2-CB 4.26Å; E347-N633 PolarHBondContact O-ND2 3.16Å; T349-N633 WeakPolarHBondContact CG2-OD1 3.47Å; K600-N633 PolarHBondContact NZ-O 3.46Å; N633-N635 VanDerWaalsContact C-N 3.26Å; N633-N635 PolarHBondContact ND2-ND2 2.94Å; N633-N635 PolarHBondContact O-N 2.87Å; N633-N635 PolarHBondContact OD1-N 3.38Å; N633-N635 VanDerWaalsContact OD1-N 3.11Å; N633-N635 PolarHBondContact OD1-ND2 2.97Å
634	R	98.4	Very high	98.4	Very high	88 Å²	88	41.6 Å²	41.6	33%	0.332	20%	0.203	S	C	.	.			trans	61.2	23.9	177.8	-56.7	-174.1	-177.6	-153.6	-1.6	115.8	P227 E229 K603 G632	P227-R634 HydrophobicContact CB-CG 4.46Å; P227-R634 HydrophobicContact CG-CB 4.27Å; P227-R634 HydrophobicContact CG-CG 3.87Å; E229-R634 VanDerWaalsContact CD-NH1 3.32Å; E229-R634 VanDerWaalsContact OE1-CD 3.24Å; E229-R634 WeakPolarHBondContact OE1-CD 3.38Å; E229-R634 IonicContact OE1-CZ 2.83Å; E229-R634 IonicContact OE1-NE 3.78Å; E229-R634 PolarHBondContact OE1-NE 3.5Å; E229-R634 IonicContact OE1-NH1 3.32Å; E229-R634 PolarHBondContact OE1-NH1 2.89Å; E229-R634 IonicContact OE1-NH2 3.06Å; K603-R634 PolarHBondContact NZ-O 2.95Å; G632-R634 PolarHBondContact O-N 3.01Å
635	N	98.8	Very high	98.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.173	C	C	.	.			trans	-66.8	154.2	171.3	-59.7	-21.8	0	0	0	110.4	A223 E347 T349 G599 K600 N633 L637	A223-N635 WeakPolarHBondContact CA-ND2 3.21Å; A223-N635 WeakPolarHBondContact CA-OD1 3.46Å; A223-N635 WeakPolarHBondContact CB-ND2 3.3Å; A223-N635 PolarHBondContact O-ND2 3.35Å; A223-N635 PolarHBondContact O-OD1 3.41Å; E347-N635 HydrophobicContact CB-CB 4.05Å; E347-N635 PolarHBondContact O-ND2 3.43Å; T349-N635 HydrophobicContact CG2-CB 3.8Å; T349-N635 WeakPolarHBondContact CG2-O 3.38Å; G599-N635 WeakPolarHBondContact O-CA 3.35Å; K600-N635 PolarHBondContact NZ-OD1 3.47Å; N633-N635 VanDerWaalsContact C-N 3.26Å; N633-N635 PolarHBondContact ND2-ND2 2.94Å; N633-N635 PolarHBondContact O-N 2.87Å; N633-N635 PolarHBondContact OD1-N 3.38Å; N633-N635 VanDerWaalsContact OD1-N 3.11Å; N633-N635 PolarHBondContact OD1-ND2 2.97Å; N635-L637 PolarHBondContact O-N 3.32Å
636	L	98.4	Very high	98.4	Very high	18 Å²	18	35 Å²	35	9%	0.094	18%	0.181	C	C	.	.			trans	67.1	-49.5	176.7	-47.4	178.5	0	0	0	116.7	E347 V598 G599	E347-L636 HydrophobicContact CG-CD2 4.38Å; E347-L636 WeakPolarHBondContact OE1-CD2 3.26Å; V598-L636 HydrophobicContact CB-CD2 3.7Å; V598-L636 HydrophobicContact CG1-CD2 4.13Å; V598-L636 HydrophobicContact CG2-CD2 4.26Å; G599-L636 PolarHBondContact O-N 3.44Å
637	L	95.4	Very high	98.3	Very high	84 Å²	84	38 Å²	38	44%	0.44	20%	0.197	S	C	.	.			trans	-125	0	-163.4	-64.5	178	0	0	0	114.7	K603 V615 L618 K619 K622 N635	K603-L637 WeakPolarHBondContact CE-O 3.5Å; K603-L637 WeakPolarHBondContact CE-OXT 3.45Å; K603-L637 PolarHBondContact NZ-O 2.99Å; K603-L637 PolarHBondContact NZ-OXT 3.14Å; V615-L637 HydrophobicContact CG1-CD2 3.81Å; L618-L637 HydrophobicContact CB-CD1 4.18Å; L618-L637 HydrophobicContact CB-CD2 4.03Å; L618-L637 HydrophobicContact CB-CG 4.49Å; K619-L637 HydrophobicContact CB-CD1 4.09Å; K622-L637 HydrophobicContact CB-CD1 4.07Å; K622-L637 HydrophobicContact CG-CD1 4.47Å; N635-L637 PolarHBondContact O-N 3.32Å

Retrieved 637 of 637 residues in 4960 ms (Link to these results)

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