A0A096MJL4_RAT Loading...

Tousled-like kinase 1

AlphaFold DB (A0A0G2K920), UniProt , Accession A0A096MJL4, Species RAT (Rattus norvegicus, Rat), Gene Tlk1, Length 766 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	34.5	Very low	36.6	Very low	236 Å²	236	137 Å²	137	100%	1.163	83%	0.829	S	S	*	*				0	124.6	0	-62.1	170.6	171.5	0	0	107.2
2	S	35	Very low	36.1	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	82%	0.824	S	S	*	*			cis	-156	123.7	-18.3	-71.3	0	0	0	0	104.4
3	V	37	Very low	36.5	Very low	120 Å²	120	131.1 Å²	131.1	73%	0.727	82%	0.822	S	S	*	*				81.4	135.2	69.7	171	0	0	0	0	113.5
4	Q	38.9	Very low	36.7	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	82%	0.815	S	S	*	*			trans	75.1	130.3	172.6	-73	150	-6.7	0	0	118.2
5	S	36.5	Very low	36.9	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	81%	0.812	S	S	*	*			cis	105.3	115.8	6.4	83.3	0	0	0	0	117.7
6	S	39.6	Very low	36.7	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	81%	0.812	S	S	*	*			trans	-170.2	103.1	159.2	51.9	0	0	0	0	107.6
7	S	38.3	Very low	36.6	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	81%	0.806	S	S	*	*				97.9	112.1	70.3	63.9	0	0	0	0	112.2
8	G	37.5	Very low	36.4	Very low	83 Å²	83	135.8 Å²	135.8	86%	0.856	80%	0.804	S	S	*	*			trans	-170	76.9	-177.6	0	0	0	0	0	113.4
9	S	37	Very low	36.4	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	80%	0.804	S	S	*	*			trans	-61.9	165.2	167.5	-81.5	0	0	0	0	113.5
10	L	34.4	Very low	36.1	Very low	144 Å²	144	135.2 Å²	135.2	75%	0.754	80%	0.8	S	S	*	*			cis	-172.2	164.8	-24.4	-133.4	141.4	0	0	0	107.3
11	E	33.6	Very low	36	Very low	189 Å²	189	134.8 Å²	134.8	88%	0.883	80%	0.799	S	S	*	*			trans	69.6	138.5	162.6	-54.9	-162.6	151	0	0	122.6
12	G	31.1	Very low	36	Very low	75 Å²	75	128.8 Å²	128.8	77%	0.773	78%	0.781	S	S	*	*			trans	150.3	66.4	161.2	0	0	0	0	0	118.6
13	P	40.9	Very low	36.3	Very low	122 Å²	122	129.7 Å²	129.7	79%	0.792	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-92.3	169.3	170.6	37.7	-33.8	0	0	0	113.5
14	P	39.1	Very low	36.4	Very low	111 Å²	111	130.4 Å²	130.4	72%	0.721	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-87.5	153.6	-161.6	33.8	-36.7	0	0	0	116.4	W16	P14-W16 VanDerWaalsContact O-CD1 3.32Å
15	S	40.4	Very low	36.6	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-64.2	126.9	169.2	52.3	0	0	0	0	111.6
16	W	33.9	Very low	36.4	Very low	214 Å²	214	127 Å²	127	81%	0.811	79%	0.794	S	S	*	*				57.4	130.2	63	-61.4	73	0	0	0	112.4	P14	P14-W16 VanDerWaalsContact O-CD1 3.32Å
17	S	35.4	Very low	36	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	80%	0.799	S	S	*	*			cis	-160.8	149	19.8	54	0	0	0	0	115.7
18	R	33	Very low	35.7	Very low	204 Å²	204	126.1 Å²	126.1	77%	0.77	79%	0.793	S	S	*	*			trans	22.8	150.2	137.9	-54.8	-179.4	179.4	-167.4	-1.4	120.5
19	L	34.8	Very low	35.6	Very low	155 Å²	155	127.1 Å²	127.1	81%	0.812	79%	0.793	S	S	*	*			cis	-140	150.7	28.3	-79.9	91	0	0	0	111.6
20	S	31.9	Very low	35.4	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	80%	0.795	S	S	*	*				50.5	131.7	94.9	-126.9	0	0	0	0	115.3
21	T	34.1	Very low	35.4	Very low	128 Å²	128	124.2 Å²	124.2	79%	0.785	80%	0.797	S	S	*	*			cis	-153.9	157.8	25.8	43.3	0	0	0	0	113
22	S	34	Very low	35.4	Very low	110 Å²	110	126.4 Å²	126.4	77%	0.769	80%	0.797	S	S	*	*			trans	-87.3	161.4	158	56.7	0	0	0	0	111.5
23	P	41.7	Very low	35.6	Very low	123 Å²	123	127.2 Å²	127.2	80%	0.799	79%	0.791	S	S	*	*				-149.5	178.1	98.7	38.5	-20.4	0	0	0	115.9
24	T	37.5	Very low	35.2	Very low	135 Å²	135	128.4 Å²	128.4	83%	0.828	79%	0.79	S	S	*	*			trans	-99.3	-161.2	-175.9	55.5	0	0	0	0	112.5
25	P	43.8	Very low	34.9	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	79%	0.788	S	S	*	*				-117.1	177.3	-114.1	31.9	-10.1	0	0	0	115.4
26	G	32.4	Very low	34.5	Very low	82 Å²	82	130.1 Å²	130.1	85%	0.845	78%	0.784	S	S	*	*			trans	-151	150.4	173	0	0	0	0	0	113.2
27	S	30.6	Very low	34.5	Very low	126 Å²	126	128.7 Å²	128.7	88%	0.881	79%	0.786	S	S	*	*			trans	-134.9	148.2	-169.4	77.9	0	0	0	0	115
28	A	33.1	Very low	34.5	Very low	91 Å²	91	129.9 Å²	129.9	75%	0.752	79%	0.789	S	S	*	*			trans	-164	122.1	149	0	0	0	0	0	107.2
29	A	34	Very low	34.5	Very low	103 Å²	103	125.7 Å²	125.7	85%	0.851	79%	0.788	S	S	*	*				62.6	127.5	75	0	0	0	0	0	112.7
30	A	33.5	Very low	34.5	Very low	100 Å²	100	124.2 Å²	124.2	83%	0.826	79%	0.788	S	S	*	*			cis	-153.7	-169.6	-1.1	0	0	0	0	0	108.8
31	A	33.8	Very low	34.3	Very low	96 Å²	96	125.5 Å²	125.5	79%	0.793	80%	0.796	S	S	*	*			cis	-159.2	-171.4	14	0	0	0	0	0	114.6
32	R	34.9	Very low	34.3	Very low	236 Å²	236	122.7 Å²	122.7	89%	0.891	79%	0.793	S	S	*	*			trans	-56	164.1	167	-67.2	171	179	178.4	-1.7	114.4
33	S	34.1	Very low	34	Very low	91 Å²	91	129.5 Å²	129.5	64%	0.636	80%	0.802	S	S	*	*			cis	175.7	148	-17	52	0	0	0	0	108.5
34	L	33.5	Very low	33.7	Very low	147 Å²	147	129.2 Å²	129.2	77%	0.77	80%	0.8	S	S	*	*				170.2	159.4	98.8	-92.7	167.4	0	0	0	113.3
35	L	33.8	Very low	33.3	Very low	130 Å²	130	134.8 Å²	134.8	68%	0.681	81%	0.806	S	S	*	*			trans	54.9	125.7	145.4	-71.3	162.2	0	0	0	124.3
36	N	30.5	Very low	32.5	Very low	128 Å²	128	138.2 Å²	138.2	68%	0.684	81%	0.81	S	S	*	*			trans	56.4	113.3	142.7	-64.3	-2.2	0	0	0	121.2
37	H	34	Very low	32.2	Very low	184 Å²	184	137.5 Å²	137.5	85%	0.852	80%	0.804	S	S	*	*				-165.7	171.9	98.1	-100.6	-69.9	0	0	0	112.5
38	T	35.3	Very low	32	Very low	127 Å²	127	136.3 Å²	136.3	78%	0.779	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.5	165.2	-161.3	26.5	0	0	0	0	116.4
39	P	33	Very low	31.6	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96	160.5	-160.4	37.9	-37	0	0	0	115.4
40	P	35.6	Very low	31.2	Very low	125 Å²	125	143.6 Å²	143.6	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.7	142.4	164.5	34.4	-30.8	0	0	0	112.3
41	S	28.3	Very low	30.8	Very low	129 Å²	129	148 Å²	148	90%	0.902	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63.8	130.9	178.5	43.2	0	0	0	0	114
42	G	32.5	Very low	30.4	Very low	69 Å²	69	151 Å²	151	71%	0.711	82%	0.815	S	S	*	*			trans	-132.7	111.9	167	0	0	0	0	0	110.5	P44	G42-P44 WeakPolarHBondContact O-CD 3.33Å
43	R	29	Very low	30.1	Very low	254 Å²	254	149 Å²	149	96%	0.958	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.8	124	173.3	-69.2	179	177.2	179.9	-2.1	110.2
44	P	34	Very low	29.9	Very low	117 Å²	117	150.6 Å²	150.6	76%	0.76	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.4	149.8	148.8	32.6	-27.5	0	0	0	109.5	G42	G42-P44 WeakPolarHBondContact O-CD 3.33Å
45	R	29.9	Very low	29.9	Very low	252 Å²	252	150.4 Å²	150.4	95%	0.951	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75	123.2	176.5	-71.2	171.4	167.5	170	-6.3	109.8
46	E	26.1	Very low	30	Very low	200 Å²	200	147.8 Å²	147.8	94%	0.935	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.5	130.8	159	-72.7	173	153.3	0	0	108.9
47	G	27.2	Very low	30.1	Very low	68 Å²	68	146.5 Å²	146.5	70%	0.701	81%	0.811	S	S	*	*			trans	-156.3	104	-177.3	0	0	0	0	0	111.6
48	A	25.9	Very low	30.1	Very low	101 Å²	101	142.3 Å²	142.3	84%	0.835	79%	0.787	S	S	*	*	S	Bend	trans	51.6	70.4	156.1	0	0	0	0	0	118
49	M	24.8	Very low	30.3	Very low	179 Å²	179	142.1 Å²	142.1	88%	0.882	77%	0.773	S	S	*	*			trans	-151.2	66.2	158.1	-81.3	-60.5	-170.8	0	0	110.9
50	D	26.1	Very low	30.5	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	75%	0.754	S	S	*	*			trans	-158.8	44.2	173.1	-106.7	-27.3	0	0	0	113.7
51	E	25.3	Very low	30.6	Very low	192 Å²	192	140.5 Å²	140.5	90%	0.897	74%	0.744	S	S	*	*			trans	-137.4	71	169.4	-78.4	-161.9	151.6	0	0	111.6
52	L	25.3	Very low	31.1	Very low	159 Å²	159	138.8 Å²	138.8	83%	0.832	72%	0.724	S	S	*	*			trans	-167.3	81.3	164.3	-112	156.8	0	0	0	110.4
53	H	28.5	Very low	31.8	Very low	195 Å²	195	138.4 Å²	138.4	90%	0.903	71%	0.705	S	S	*	*			trans	175.1	68.5	151.5	-85.8	-44.1	0	0	0	111
54	S	29.7	Very low	32.5	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	67%	0.672	S	S	*	*			trans	-105.1	109.1	157.7	61.1	0	0	0	0	109.7
55	L	34	Very low	32.8	Very low	143 Å²	143	125.7 Å²	125.7	75%	0.749	66%	0.655	S	S	*	*			trans	-84.7	138.6	160.6	-74.6	166.8	0	0	0	107.6	P57	L55-P57 WeakPolarHBondContact O-CD 3.28Å
56	D	35.2	Very low	33.8	Very low	75 Å²	75	116.8 Å²	116.8	40%	0.401	62%	0.622	S	S	.	*			trans	-49.5	117.6	177.2	170.4	16.8	0	0	0	111.6	R58 R59 Q60	D56-R58 PolarHBondContact O-N 2.77Å; D56-R58 WeakPolarHBondContact OD1-CB 3.23Å; D56-R58 PolarHBondContact OD1-N 3.1Å; D56-R59 HydrophobicContact CB-CB 4.49Å; D56-R59 HydrophobicContact CB-CG 4.4Å; D56-R59 WeakPolarHBondContact O-CB 3.31Å; D56-R59 PolarHBondContact O-N 3.17Å; D56-Q60 PolarHBondContact O-N 3.17Å
57	P	33.4	Very low	34.6	Very low	102 Å²	102	109.4 Å²	109.4	66%	0.662	59%	0.587	S	S	*	*	H	α-helix	trans	-53.8	-28.3	177.8	-27.3	35.5	0	0	0	113.5	L55 Q60 E61	L55-P57 WeakPolarHBondContact O-CD 3.28Å; P57-Q60 WeakPolarHBondContact O-CB 3.3Å; P57-Q60 PolarHBondContact O-N 2.66Å; P57-Q60 VanDerWaalsContact O-N 3.15Å; P57-E61 PolarHBondContact O-N 2.79Å
58	R	33.5	Very low	35	Very low	95 Å²	95	111.1 Å²	111.1	36%	0.358	58%	0.584	S	S	.	*	H	α-helix	trans	-74.5	-28.5	-179	-151.1	177.7	-165.9	166	4.6	113.3	D56 Q60 L62 N91	D56-R58 PolarHBondContact O-N 2.77Å; D56-R58 WeakPolarHBondContact OD1-CB 3.23Å; D56-R58 PolarHBondContact OD1-N 3.1Å; R58-Q60 VanDerWaalsContact C-N 3.3Å; R58-L62 PolarHBondContact O-N 3.32Å; R58-N91 PolarHBondContact NH1-ND2 3.19Å; R58-N91 PolarHBondContact NH1-OD1 3.01Å
59	R	38.2	Very low	35.2	Very low	124 Å²	124	108 Å²	108	47%	0.468	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-36.5	166.7	-81.3	-171.8	171	164.5	5.9	111.4	D56 L63 N95	D56-R59 HydrophobicContact CB-CB 4.49Å; D56-R59 HydrophobicContact CB-CG 4.4Å; D56-R59 WeakPolarHBondContact O-CB 3.31Å; D56-R59 PolarHBondContact O-N 3.17Å; R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 WeakPolarHBondContact O-CD1 3.48Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 2.99Å; R59-N95 PolarHBondContact NH2-OD1 2.8Å
60	Q	37.6	Very low	35.4	Very low	77 Å²	77	105.3 Å²	105.3	36%	0.36	56%	0.555	S	S	.	*	H	α-helix	trans	-68.8	-42.6	178.5	-176.9	166.6	-29.4	0	0	111.1	D56 P57 R58 L62 L63 E64	D56-Q60 PolarHBondContact O-N 3.17Å; P57-Q60 WeakPolarHBondContact O-CB 3.3Å; P57-Q60 PolarHBondContact O-N 2.66Å; P57-Q60 VanDerWaalsContact O-N 3.15Å; R58-Q60 VanDerWaalsContact C-N 3.3Å; Q60-L62 PolarHBondContact O-N 3.32Å; Q60-L63 CarbonylContact O-C 3.56Å; Q60-L63 PolarHBondContact O-N 3.34Å; Q60-E64 HydrophobicContact CG-CG 4.17Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.49Å; Q60-E64 PolarHBondContact NE2-OE1 3.45Å; Q60-E64 WeakPolarHBondContact O-CB 3.42Å; Q60-E64 VanDerWaalsContact O-CG 3.23Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.91Å
61	E	38.1	Very low	35.3	Very low	129 Å²	129	101.9 Å²	101.9	60%	0.603	55%	0.55	S	S	*	.	H	α-helix	trans	-58.6	-47.2	175.6	-171.1	178.7	-157.2	0	0	113.1	P57 L63 E64 A65	P57-E61 PolarHBondContact O-N 2.79Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 3.17Å; E61-E64 PolarHBondContact O-N 3.31Å; E61-A65 PolarHBondContact O-N 3.22Å
62	L	39.3	Very low	35.4	Very low	93 Å²	93	99.9 Å²	99.9	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-68.1	-23.4	176.9	-77.2	168.6	0	0	0	113.9	R58 Q60	R58-L62 PolarHBondContact O-N 3.32Å; Q60-L62 PolarHBondContact O-N 3.32Å
63	L	46.2	Very low	35.5	Very low	60 Å²	60	95.7 Å²	95.7	31%	0.314	55%	0.546	S	S	.	.	H	α-helix	trans	-82.8	-34.6	171.1	-78.6	164.6	0	0	0	111.7	R59 Q60 E61 R66 F67 F467	R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 WeakPolarHBondContact O-CD1 3.48Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 2.99Å; Q60-L63 CarbonylContact O-C 3.56Å; Q60-L63 PolarHBondContact O-N 3.34Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 3.17Å; L63-R66 WeakPolarHBondContact O-CB 3.26Å; L63-R66 PolarHBondContact O-N 3.46Å; L63-F67 WeakPolarHBondContact O-CD2 3.4Å; L63-F67 WeakPolarHBondContact O-CE2 3.05Å; L63-F467 HydrophobicContact CB-CE2 4.01Å; L63-F467 HydrophobicContact CB-CZ 4.07Å; L63-F467 HydrophobicContact CD1-CE2 4.4Å; L63-F467 HydrophobicContact CD1-CZ 4.27Å; L63-F467 HydrophobicContact CD2-CE2 4.33Å; L63-F467 HydrophobicContact CG-CE2 4.49Å
64	E	43.3	Very low	35.2	Very low	55 Å²	55	92.3 Å²	92.3	26%	0.257	54%	0.544	S	S	.	.	H	α-helix	trans	-66.6	-36.2	177	-77.8	173.1	177.6	0	0	112	Q60 E61 R66 F67 T68 K497	Q60-E64 HydrophobicContact CG-CG 4.17Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.49Å; Q60-E64 PolarHBondContact NE2-OE1 3.45Å; Q60-E64 WeakPolarHBondContact O-CB 3.42Å; Q60-E64 VanDerWaalsContact O-CG 3.23Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 2.91Å; E61-E64 PolarHBondContact O-N 3.31Å; E64-R66 PolarHBondContact O-N 3.27Å; E64-F67 PolarHBondContact O-N 2.84Å; E64-T68 PolarHBondContact O-N 2.99Å; E64-T68 PolarHBondContact O-OG1 3.2Å; E64-K497 VanDerWaalsContact CD-NZ 3.32Å; E64-K497 IonicContact OE1-NZ 3.18Å; E64-K497 PolarHBondContact OE1-NZ 3.18Å
65	A	42.3	Very low	35.2	Very low	49 Å²	49	93.1 Å²	93.1	41%	0.405	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.8	172.9	0	0	0	0	0	114.5	E61 F67	E61-A65 PolarHBondContact O-N 3.22Å; A65-F67 VanDerWaalsContact C-N 3.35Å
66	R	49.8	Very low	34.7	Very low	65 Å²	65	90 Å²	90	25%	0.245	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.3	171.5	-70.4	-175.7	162.2	-139.3	-13.2	113.8	L63 E64 D586 G632	L63-R66 WeakPolarHBondContact O-CB 3.26Å; L63-R66 PolarHBondContact O-N 3.46Å; E64-R66 PolarHBondContact O-N 3.27Å; R66-D586 IonicContact NH2-OD2 3.2Å; R66-G632 PolarHBondContact NH2-O 2.98Å; R66-G632 VanDerWaalsContact NH2-O 3.15Å
67	F	42.9	Very low	34.4	Very low	46 Å²	46	91.3 Å²	91.3	20%	0.202	56%	0.562	C	S	.	*	T	Hydrogen-bonded Turn	trans	-122.7	-8.7	-168.6	-56.1	-72.2	0	0	0	114.1	L63 E64 A65 F467 Y501	L63-F67 WeakPolarHBondContact O-CD2 3.4Å; L63-F67 WeakPolarHBondContact O-CE2 3.05Å; E64-F67 PolarHBondContact O-N 2.84Å; A65-F67 VanDerWaalsContact C-N 3.35Å; F67-F467 HydrophobicContact CE2-CD2 4.2Å; F67-F467 AromaticContact CE2-CE2 3.95Å; F67-F467 HydrophobicContact CE2-CE2 3.95Å; F67-Y501 AromaticContact CD1-CD2 3.89Å; F67-Y501 HydrophobicContact CD1-CD2 3.89Å; F67-Y501 HydrophobicContact CD1-CE2 4.2Å; F67-Y501 HydrophobicContact CD2-CD2 4.35Å; F67-Y501 HydrophobicContact CD2-CE2 4.48Å; F67-Y501 AromaticContact CE1-CD2 3.81Å; F67-Y501 HydrophobicContact CE1-CD2 3.81Å; F67-Y501 AromaticContact CE1-CE2 3.64Å; F67-Y501 HydrophobicContact CE1-CE2 3.64Å; F67-Y501 HydrophobicContact CE2-CD2 4.29Å; F67-Y501 AromaticContact CE2-CE2 3.97Å; F67-Y501 HydrophobicContact CE2-CE2 3.97Å; F67-Y501 HydrophobicContact CG-CD2 4.17Å; F67-Y501 HydrophobicContact CZ-CD2 4.03Å; F67-Y501 AromaticContact CZ-CE2 3.51Å; F67-Y501 HydrophobicContact CZ-CE2 3.51Å
68	T	36.6	Very low	34.1	Very low	104 Å²	104	93 Å²	93	64%	0.638	57%	0.57	S	S	*	*			trans	-107.9	59.6	175.5	60.1	0	0	0	0	111.5	E64	E64-T68 PolarHBondContact O-N 2.99Å; E64-T68 PolarHBondContact O-OG1 3.2Å
69	G	29	Very low	33.9	Very low	36 Å²	36	92.6 Å²	92.6	37%	0.371	60%	0.596	S	S	.	*			trans	-104.3	130.6	170.1	0	0	0	0	0	111.2
70	V	28.3	Very low	33.5	Very low	122 Å²	122	91.8 Å²	91.8	74%	0.739	61%	0.61	S	S	*	*			trans	81.8	104.3	-179.9	-170.2	0	0	0	0	116.3	T627	V70-T627 WeakPolarHBondContact CG2-O 3.18Å
71	A	25.8	Very low	32.9	Very low	96 Å²	96	93.8 Å²	93.8	79%	0.793	63%	0.63	S	S	*	*				-176.2	72.7	126.3	0	0	0	0	0	111.9
72	T	26.7	Very low	32.4	Very low	149 Å²	149	92.5 Å²	92.5	91%	0.914	64%	0.636	S	S	*	*			trans	-96.8	85.1	164.4	48	0	0	0	0	110
73	G	26.7	Very low	31.7	Very low	72 Å²	72	95.5 Å²	95.5	74%	0.742	66%	0.657	S	S	*	*			trans	-69.5	139.3	167.7	0	0	0	0	0	111.1	T75	G73-T75 PolarHBondContact O-N 3.08Å
74	S	23.6	Very low	30.7	Very low	123 Å²	123	96.1 Å²	96.1	86%	0.86	68%	0.679	S	S	*	*			trans	-73.7	108.4	-178.9	161.8	0	0	0	0	112.7
75	T	29.1	Very low	30.1	Very low	140 Å²	140	98.4 Å²	98.4	86%	0.859	71%	0.707	S	S	*	*			trans	-141.8	131.8	147.6	49.7	0	0	0	0	109.2	G73	G73-T75 PolarHBondContact O-N 3.08Å
76	G	24.2	Very low	29.2	Very low	78 Å²	78	106.5 Å²	106.5	80%	0.804	73%	0.733	S	S	*	*			trans	-108.2	152.1	-178.7	0	0	0	0	0	112.9
77	S	28.3	Very low	28.2	Very low	103 Å²	103	107.6 Å²	107.6	72%	0.72	76%	0.756	S	S	*	*			trans	-173.8	128.4	133	-159	0	0	0	0	112.5
78	T	27.3	Very low	27.3	Very low	136 Å²	136	111.5 Å²	111.5	83%	0.834	79%	0.789	S	S	*	*			trans	38	125.3	142.2	59.1	0	0	0	0	122.1
79	G	29.3	Very low	26.9	Very low	87 Å²	87	112 Å²	112	90%	0.897	79%	0.793	S	S	*	*			trans	171.3	88.2	160.8	0	0	0	0	0	118.3
80	S	28.5	Very low	26.6	Very low	108 Å²	108	118.4 Å²	118.4	76%	0.755	82%	0.818	S	S	*	*			trans	-63.9	143.9	-179.8	173.3	0	0	0	0	118.5
81	C	25.1	Very low	26.5	Very low	118 Å²	118	117.5 Å²	117.5	80%	0.797	81%	0.809	S	S	*	*			trans	64.9	155	149.4	-72.2	0	0	0	0	119.7
82	S	28.1	Very low	26.4	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	82%	0.815	S	S	*	*			cis	-168.4	146.3	-0.5	43.9	0	0	0	0	113.3
83	V	25.4	Very low	26.3	Very low	156 Å²	156	118.7 Å²	118.7	95%	0.945	80%	0.796	S	S	*	*			trans	42.9	125	141.8	-172.1	0	0	0	0	122.3
84	G	25.1	Very low	26.2	Very low	74 Å²	74	119 Å²	119	76%	0.763	79%	0.787	S	S	*	*			trans	129.7	140.1	157.7	0	0	0	0	0	113.2
85	A	29.7	Very low	26.2	Very low	103 Å²	103	118.7 Å²	118.7	85%	0.851	78%	0.775	S	S	*	*			cis	-150.9	172	1	0	0	0	0	0	111.3
86	K	23.6	Very low	26.1	Very low	218 Å²	218	118.1 Å²	118.1	95%	0.948	76%	0.763	S	S	*	*			trans	-72.4	133.5	178.5	-62.8	174.7	179.1	175.7	0	111.5
87	A	28.7	Very low	26.2	Very low	89 Å²	89	119.9 Å²	119.9	74%	0.736	76%	0.763	S	S	*	*			trans	-139.8	122	163	0	0	0	0	0	110.3
88	S	24.5	Very low	26	Very low	127 Å²	127	120.8 Å²	120.8	89%	0.888	75%	0.754	S	S	*	*			trans	-76	123.4	178	-50.2	0	0	0	0	110.4
89	T	27.8	Very low	25.9	Very low	116 Å²	116	117.1 Å²	117.1	71%	0.712	74%	0.744	S	S	*	*			trans	-135.1	123.2	169.8	43.2	0	0	0	0	111.1	N91	T89-N91 PolarHBondContact O-N 3.17Å
90	N	23.6	Very low	25.7	Very low	170 Å²	170	116.1 Å²	116.1	91%	0.909	72%	0.723	S	S	*	*			trans	-59.1	132.8	168.5	-69.7	-20.4	0	0	0	108.8
91	N	25.4	Very low	25.5	Very low	102 Å²	102	119.4 Å²	119.4	55%	0.545	73%	0.731	S	S	.	*			trans	-134.5	80.8	-176.9	-148.2	-30.5	0	0	0	110.1	R58 T89 S93	R58-N91 PolarHBondContact NH1-ND2 3.19Å; R58-N91 PolarHBondContact NH1-OD1 3.01Å; T89-N91 PolarHBondContact O-N 3.17Å; N91-S93 PolarHBondContact O-N 2.96Å; N91-S93 VanDerWaalsContact O-N 3.17Å
92	E	24	Very low	25.5	Very low	196 Å²	196	116.3 Å²	116.3	92%	0.916	72%	0.719	S	S	*	*			trans	-67.3	106	171	-64.7	-179.8	128.9	0	0	108.7
93	S	25.2	Very low	25.4	Very low	74 Å²	74	116.5 Å²	116.5	52%	0.517	72%	0.72	S	S	.	*			trans	-125	102.3	175.3	51.1	0	0	0	0	111.3	N91 N95	N91-S93 PolarHBondContact O-N 2.96Å; N91-S93 VanDerWaalsContact O-N 3.17Å; S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 2.68Å
94	S	23.9	Very low	25.4	Very low	80 Å²	80	115.7 Å²	115.7	56%	0.559	71%	0.71	S	S	*	*			trans	-83.8	63.6	-170.7	48	0	0	0	0	113.4	H96	S94-H96 WeakPolarHBondContact CB-NE2 3.34Å; S94-H96 PolarHBondContact O-N 3.09Å
95	N	24	Very low	25.6	Very low	115 Å²	115	117 Å²	117	62%	0.615	71%	0.708	S	S	*	*			trans	-79.4	73.3	163.6	-88.4	-23.1	0	0	0	110.7	R59 S93 S97	R59-N95 PolarHBondContact NH2-OD1 2.8Å; S93-N95 VanDerWaalsContact C-N 3.34Å; S93-N95 PolarHBondContact O-N 2.68Å; N95-S97 VanDerWaalsContact C-N 3.35Å; N95-S97 PolarHBondContact O-N 3.39Å
96	H	27.2	Very low	25.5	Very low	128 Å²	128	119.6 Å²	119.6	59%	0.593	71%	0.707	S	S	*	*			trans	-68.7	85.4	177.7	-69.4	-67.4	0	0	0	112.9	S94 F98	S94-H96 WeakPolarHBondContact CB-NE2 3.34Å; S94-H96 PolarHBondContact O-N 3.09Å; H96-F98 HydrophobicContact CB-CD2 3.87Å; H96-F98 HydrophobicContact CB-CE2 3.58Å; H96-F98 HydrophobicContact CB-CZ 4.06Å; H96-F98 AromaticContact CG-CE2 3.81Å; H96-F98 AromaticContact CG-CZ 3.77Å; H96-F98 AromaticContact ND1-CE1 3.86Å; H96-F98 AromaticContact ND1-CZ 3.64Å
97	S	24.9	Very low	25.9	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	71%	0.705	S	S	*	*			trans	-78.1	103.3	138	-169.2	0	0	0	0	107	N95 G99	N95-S97 VanDerWaalsContact C-N 3.35Å; N95-S97 PolarHBondContact O-N 3.39Å; S97-G99 VanDerWaalsContact C-N 3.33Å; S97-G99 PolarHBondContact O-N 2.99Å
98	F	25.4	Very low	26	Very low	122 Å²	122	123.9 Å²	123.9	54%	0.535	71%	0.712	S	S	.	*			trans	-70.2	91.9	175.5	-79.9	-77.5	0	0	0	109.8	H96	H96-F98 HydrophobicContact CB-CD2 3.87Å; H96-F98 HydrophobicContact CB-CE2 3.58Å; H96-F98 HydrophobicContact CB-CZ 4.06Å; H96-F98 AromaticContact CG-CE2 3.81Å; H96-F98 AromaticContact CG-CZ 3.77Å; H96-F98 AromaticContact ND1-CE1 3.86Å; H96-F98 AromaticContact ND1-CZ 3.64Å
99	G	24	Very low	26.1	Very low	59 Å²	59	123.2 Å²	123.2	61%	0.608	71%	0.707	S	S	*	*			trans	-68.3	133	157.6	0	0	0	0	0	109.5	S97 L101	S97-G99 VanDerWaalsContact C-N 3.33Å; S97-G99 PolarHBondContact O-N 2.99Å; G99-L101 PolarHBondContact O-N 3.38Å
100	S	25.6	Very low	26.3	Very low	66 Å²	66	127.2 Å²	127.2	46%	0.462	72%	0.718	S	S	.	*			trans	-63.5	121.5	174.3	-177.4	0	0	0	0	109.9	G102 E425	S100-G102 VanDerWaalsContact C-N 3.3Å; S100-G102 PolarHBondContact O-N 3.46Å; S100-E425 WeakPolarHBondContact CB-OE2 3.38Å; S100-E425 PolarHBondContact OG-OE1 3.25Å; S100-E425 PolarHBondContact OG-OE2 3.23Å
101	L	24.3	Very low	26.7	Very low	176 Å²	176	125.9 Å²	125.9	92%	0.921	72%	0.716	S	S	*	*			trans	-85.2	77.9	168.5	-76.6	174.1	0	0	0	109	G99	G99-L101 PolarHBondContact O-N 3.38Å
102	G	25.8	Very low	27.3	Very low	53 Å²	53	126.7 Å²	126.7	55%	0.546	73%	0.727	S	S	.	*			trans	-70.9	142.9	165.7	0	0	0	0	0	111.4	S100	S100-G102 VanDerWaalsContact C-N 3.3Å; S100-G102 PolarHBondContact O-N 3.46Å
103	S	24.7	Very low	27.8	Very low	106 Å²	106	126.7 Å²	126.7	74%	0.741	73%	0.727	S	S	*	*			trans	-92.2	169.1	-170	-165.1	0	0	0	0	114.1
104	L	26.3	Very low	28.1	Very low	140 Å²	140	132.7 Å²	132.7	73%	0.733	74%	0.744	S	S	*	*			trans	74.2	114.3	164.9	-53	174.1	0	0	0	118.7
105	S	29.7	Very low	28.6	Very low	102 Å²	102	138 Å²	138	71%	0.713	76%	0.756	S	S	*	*				-174.6	134.4	86.7	65.5	0	0	0	0	113.4
106	D	26.7	Very low	29.2	Very low	156 Å²	156	141.3 Å²	141.3	83%	0.834	77%	0.768	S	S	*	*			trans	43.7	105.7	143.3	-51.7	-27.4	0	0	0	120.6
107	K	31.7	Very low	29.4	Very low	210 Å²	210	140.5 Å²	140.5	91%	0.913	78%	0.777	S	S	*	*			trans	-136	144.6	137.4	-122.8	-175.6	-178.9	-172.2	0	110.5
108	E	30.6	Very low	29.9	Very low	188 Å²	188	143.9 Å²	143.9	88%	0.879	78%	0.78	S	S	*	*			trans	-73.2	139.3	-162.9	-66.4	162.3	108.7	0	0	114.3
109	S	27.3	Very low	30.5	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	79%	0.786	S	S	*	*			trans	18.8	109.3	137.3	-51.4	0	0	0	0	120
110	E	31.8	Very low	30.9	Very low	201 Å²	201	144.6 Å²	144.6	94%	0.939	79%	0.791	S	S	*	*				-129.7	138.2	128.5	-77.1	-159.8	141.5	0	0	109.9
111	T	32.8	Very low	31.4	Very low	142 Å²	142	153.5 Å²	153.5	87%	0.871	81%	0.814	S	S	*	*			trans	-94.7	162.9	-171.9	25	0	0	0	0	113.6
112	P	36.9	Very low	31.7	Very low	118 Å²	118	148.7 Å²	148.7	77%	0.766	81%	0.808	S	S	*	*			trans	-112	169.7	-147	41.7	-36.8	0	0	0	115.9
113	E	35.8	Very low	32.1	Very low	196 Å²	196	157.3 Å²	157.3	92%	0.916	82%	0.824	S	S	*	*			trans	-91.4	147.7	163.2	-72.3	-150.9	115.9	0	0	113.7
114	K	31.5	Very low	32.4	Very low	201 Å²	201	161.9 Å²	161.9	87%	0.874	83%	0.83	S	S	*	*			trans	-78.7	148.2	-175.7	-66.8	165.1	172.9	168.7	0	112.6
115	K	34.2	Very low	33	Very low	190 Å²	190	165.8 Å²	165.8	83%	0.826	84%	0.835	S	S	*	*				-157.8	111.5	125.2	-116.2	168.5	-173.9	175.8	0	115.1
116	Q	35.6	Very low	33.1	Very low	185 Å²	185	170.6 Å²	170.6	86%	0.864	84%	0.843	S	S	*	*			trans	58.2	153.5	140.3	-73.3	170.8	-27.3	0	0	121.5
117	S	30.9	Very low	33.2	Very low	111 Å²	111	167.2 Å²	167.2	78%	0.776	84%	0.837	S	S	*	*			trans	-119.3	155.4	-158.6	52.1	0	0	0	0	112.4
118	E	37.2	Very low	33.2	Very low	187 Å²	187	166.6 Å²	166.6	87%	0.874	84%	0.837	S	S	*	*			trans	-152.1	151	142.2	-125.3	171.5	-161.8	0	0	115.4
119	S	37.1	Very low	33.2	Very low	94 Å²	94	163 Å²	163	66%	0.657	83%	0.833	S	S	*	*			trans	-17.4	128.8	173	51.6	0	0	0	0	119.2
120	S	33.2	Very low	33.5	Very low	103 Å²	103	167.2 Å²	167.2	72%	0.72	84%	0.84	S	S	*	*				81.7	125.5	59.4	86.8	0	0	0	0	116.3
121	R	36	Very low	33.5	Very low	252 Å²	252	164.8 Å²	164.8	95%	0.951	83%	0.834	S	S	*	*			trans	126.8	122	170.5	-77.9	165.7	178.8	173.1	1.6	108.8
122	G	30.2	Very low	33.6	Very low	76 Å²	76	167.6 Å²	167.6	78%	0.784	84%	0.837	S	S	*	*			cis	117.3	86.9	5.8	0	0	0	0	0	111.8
123	R	34.4	Very low	33.4	Very low	234 Å²	234	166.7 Å²	166.7	88%	0.883	83%	0.834	S	S	*	*			trans	-149.7	135.2	159	-134.3	172.9	-170.2	174.3	4.3	112.7
124	K	31.3	Very low	33.3	Very low	201 Å²	201	162.5 Å²	162.5	87%	0.874	83%	0.826	S	S	*	*			trans	-129	124.7	-172.3	-175	-179	-174.8	178.3	0	107.6
125	R	37.2	Very low	33.4	Very low	222 Å²	222	161.9 Å²	161.9	84%	0.838	83%	0.826	S	S	*	*			trans	-140.7	101.3	164.6	-74.2	-176	171.1	177	-5.3	104.3
126	K	32	Very low	33.1	Very low	203 Å²	203	156.4 Å²	156.4	88%	0.883	82%	0.823	S	S	*	*				66.2	120.8	70.5	-158.8	-177.2	-176.9	-170.1	0	111
127	A	29.6	Very low	33	Very low	85 Å²	85	157.9 Å²	157.9	70%	0.702	83%	0.827	S	S	*	*			trans	-81	162.9	-171.2	0	0	0	0	0	113.4
128	E	31.8	Very low	32.8	Very low	198 Å²	198	158.3 Å²	158.3	93%	0.925	83%	0.83	S	S	*	*			trans	-119	128.2	147.1	-73.8	-176.3	149.3	0	0	108.4
129	S	30.6	Very low	32.7	Very low	112 Å²	112	157.5 Å²	157.5	78%	0.783	83%	0.83	S	S	*	*			trans	-102.6	127.6	161.9	-64	0	0	0	0	107
130	Q	34.3	Very low	32.2	Very low	200 Å²	200	156.8 Å²	156.8	94%	0.935	84%	0.837	S	S	*	*			trans	-113.4	132.7	149.4	-82.8	-168.9	-29.6	0	0	108.1
131	N	30.6	Very low	32.1	Very low	151 Å²	151	155 Å²	155	81%	0.807	84%	0.836	S	S	*	*			trans	-132.9	100.9	-175.2	-170	36.5	0	0	0	105.3
132	E	35.3	Very low	32	Very low	200 Å²	200	154.8 Å²	154.8	94%	0.935	84%	0.835	S	S	*	*			trans	-110.5	129.9	163.8	-80.3	-150.8	140.8	0	0	109.3
133	S	32	Very low	31.9	Very low	100 Å²	100	155 Å²	155	70%	0.699	84%	0.837	S	S	*	*			trans	-110.9	137	179.6	58.3	0	0	0	0	108.5
134	S	34.9	Very low	31.9	Very low	107 Å²	107	152.5 Å²	152.5	75%	0.748	84%	0.835	S	S	*	*				173.2	145	129.8	-85.1	0	0	0	0	114.8
135	Q	33.1	Very low	32.1	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	83%	0.831	S	S	*	*			trans	67.6	75.6	152.1	-65.6	179	16.2	0	0	120.2
136	G	28.8	Very low	32	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	83%	0.829	S	S	*	*				51.9	123	106.9	0	0	0	0	0	122.3
137	K	32.4	Very low	32	Very low	216 Å²	216	142.9 Å²	142.9	94%	0.939	82%	0.816	S	S	*	*				-164.9	149.4	126.6	-109.7	167.1	-175.1	174.7	0	112
138	S	26.9	Very low	32.2	Very low	120 Å²	120	145 Å²	145	84%	0.839	82%	0.816	S	S	*	*			trans	-102.9	112.8	179.1	172.5	0	0	0	0	111.1
139	I	34.8	Very low	32.2	Very low	170 Å²	170	144.8 Å²	144.8	87%	0.872	81%	0.808	S	S	*	*			trans	-157.4	145.2	165.2	-57.8	-171.8	0	0	0	106.6
140	G	28	Very low	32.5	Very low	79 Å²	79	149 Å²	149	81%	0.814	81%	0.813	S	S	*	*			cis	166.4	-17.3	-8.1	0	0	0	0	0	116.9
141	G	30.8	Very low	32.4	Very low	67 Å²	67	148.2 Å²	148.2	69%	0.691	81%	0.809	S	S	*	*			trans	-145.3	133.1	-174.5	0	0	0	0	0	112.6
142	R	33.4	Very low	32.4	Very low	247 Å²	247	151.3 Å²	151.3	93%	0.932	81%	0.811	S	S	*	*				60.6	110.8	74.2	-79	-168.3	174.4	-173.7	0.2	112.9
143	G	28.7	Very low	32.3	Very low	81 Å²	81	150.3 Å²	150.3	84%	0.835	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.6	158	-175.7	0	0	0	0	0	114.6
144	H	34.6	Very low	32.2	Very low	181 Å²	181	148.6 Å²	148.6	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-88.7	141.7	177.6	-73.4	-81.6	0	0	0	112.2
145	K	34.2	Very low	32	Very low	179 Å²	179	147 Å²	147	78%	0.778	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.9	151	168.5	-68.6	178.9	177.1	179.7	0	108.9	S147	K145-S147 PolarHBondContact O-N 2.96Å
146	I	36.1	Very low	31.9	Very low	155 Å²	155	146.7 Å²	146.7	80%	0.795	81%	0.809	S	S	*	*	S	Bend	trans	-80.4	39.2	-176	-164.9	158.3	0	0	0	113.5	D148 Y149	I146-D148 VanDerWaalsContact C-N 3.33Å; I146-Y149 HydrophobicContact CG1-CD2 4.45Å
147	S	31.5	Very low	32	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	81%	0.81	S	S	*	*			trans	-81	-9.6	-179.9	44.6	0	0	0	0	114.5	K145 Y149	K145-S147 PolarHBondContact O-N 2.96Å; S147-Y149 PolarHBondContact O-N 3.37Å
148	D	32.9	Very low	32.1	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	81%	0.806	S	S	*	*			trans	-105.3	29.9	-158	-55.2	-7.2	0	0	0	112.9	I146	I146-D148 VanDerWaalsContact C-N 3.33Å
149	Y	32.7	Very low	32.3	Very low	195 Å²	195	141.6 Å²	141.6	77%	0.765	80%	0.8	S	S	*	*			trans	-106.7	11.5	-178.4	-103.2	-75	0	0	0	115.3	I146 S147	I146-Y149 HydrophobicContact CG1-CD2 4.45Å; S147-Y149 PolarHBondContact O-N 3.37Å
150	F	35.7	Very low	32.4	Very low	200 Å²	200	139.3 Å²	139.3	88%	0.877	80%	0.797	S	S	*	*			trans	-125.4	102.4	174.1	-73.1	-74.8	0	0	0	111.9	Y152	F150-Y152 PolarHBondContact O-N 2.95Å
151	E	33	Very low	32.6	Very low	184 Å²	184	141.9 Å²	141.9	86%	0.86	80%	0.796	S	S	*	*			trans	-75.1	108.6	175.4	-169.9	171	-158.5	0	0	110
152	Y	29.8	Very low	32.9	Very low	215 Å²	215	150.6 Å²	150.6	84%	0.843	81%	0.808	S	S	*	*			trans	-96.1	98.1	-179.2	-170.9	-92	0	0	0	110.4	F150 G154	F150-Y152 PolarHBondContact O-N 2.95Å; Y152-G154 PolarHBondContact O-N 3.01Å
153	Q	33.5	Very low	32.8	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	80%	0.798	S	S	*	*			trans	-77.1	100	166.1	-78.2	-169.1	-11.4	0	0	110.1
154	G	30.6	Very low	33.2	Very low	63 Å²	63	146.1 Å²	146.1	65%	0.649	80%	0.799	S	S	*	*			trans	-78.7	126.9	168.8	0	0	0	0	0	111.5	Y152	Y152-G154 PolarHBondContact O-N 3.01Å
155	G	30.4	Very low	33.6	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	80%	0.795	S	S	*	*			trans	-131.4	120.3	171.9	0	0	0	0	0	111
156	N	30.3	Very low	33.8	Very low	182 Å²	182	140 Å²	140	97%	0.973	79%	0.794	S	S	*	*			trans	-67.6	138.1	175.1	-75.7	-10	0	0	0	111.1
157	G	32	Very low	33.5	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	80%	0.795	S	S	*	*			trans	-163.7	129.1	172.9	0	0	0	0	0	111.8
158	S	34.6	Very low	33.7	Very low	124 Å²	124	141.1 Å²	141.1	87%	0.867	81%	0.806	S	S	*	*			trans	-77.8	159.7	-171.9	-66.1	0	0	0	0	114.2
159	S	30.8	Very low	33.7	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	82%	0.816	S	S	*	*			trans	-55	154.2	172.9	-169.3	0	0	0	0	113.2
160	P	37.3	Very low	34.1	Very low	122 Å²	122	142.1 Å²	142.1	79%	0.792	82%	0.815	S	S	*	*				-137.7	159.8	112.8	38.3	-28.7	0	0	0	115.9
161	V	31.1	Very low	34.2	Very low	133 Å²	133	138.9 Å²	138.9	81%	0.806	81%	0.814	S	S	*	*			trans	-79.4	127.2	179.4	172.1	0	0	0	0	112.5
162	R	37.7	Very low	34.3	Very low	251 Å²	251	138.6 Å²	138.6	95%	0.947	81%	0.813	S	S	*	*			trans	168.6	144.3	150.9	-96.2	167.7	-166.6	-160	5.1	107.9
163	G	32.3	Very low	34.6	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	81%	0.812	S	S	*	*			cis	-169.9	159.7	-4.1	0	0	0	0	0	110
164	I	36.3	Very low	34.7	Very low	164 Å²	164	131 Å²	131	84%	0.841	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-80.9	135.7	-174.1	-61.8	162.5	0	0	0	110.6
165	P	42.8	Very low	34.9	Very low	117 Å²	117	135.6 Å²	135.6	76%	0.76	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79	128	165.9	31.6	-31.1	0	0	0	110.3
166	P	37.7	Very low	34.9	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-79.4	149.4	-176.9	31.9	-34.7	0	0	0	112.5
167	A	30.6	Very low	35.1	Very low	99 Å²	99	135.4 Å²	135.4	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.6	140.4	170.8	0	0	0	0	0	111.6
168	I	34.8	Very low	35.1	Very low	168 Å²	168	136.5 Å²	136.5	86%	0.862	78%	0.781	S	S	*	*			trans	-105.8	111.5	164.5	-65.6	179.3	0	0	0	108
169	R	34.8	Very low	35.2	Very low	239 Å²	239	137 Å²	137	90%	0.902	78%	0.779	S	S	*	*			trans	-84.6	146	159.8	-81.9	-177.6	170.4	-176	-2.9	109
170	S	40	Very low	35.4	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	78%	0.784	S	S	*	*			trans	-64.5	175.9	179.6	-33.9	0	0	0	0	113.7
171	P	38	Very low	35.2	Very low	132 Å²	132	137.4 Å²	137.4	86%	0.857	78%	0.781	S	S	*	*			trans	-116.1	143.9	132.2	11.1	7.7	0	0	0	111.9
172	Q	35.6	Very low	35.3	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	78%	0.777	S	S	*	*			trans	-92.2	176.1	170.6	-70.3	179.3	-68.3	0	0	111.6
173	N	34.7	Very low	35.2	Very low	153 Å²	153	129.3 Å²	129.3	82%	0.818	77%	0.77	S	S	*	*			trans	83	132.9	172.5	-67.3	-7.9	0	0	0	116.5
174	S	35.5	Very low	35.2	Very low	81 Å²	81	132.4 Å²	132.4	57%	0.566	77%	0.774	S	S	*	*			cis	-161.9	172.3	-4.2	39.8	0	0	0	0	112.8
175	H	34.8	Very low	35.2	Very low	161 Å²	161	136 Å²	136	75%	0.745	78%	0.777	S	S	*	*			trans	100.4	84.7	164.5	-54.2	-64.7	0	0	0	119.4
176	S	31.6	Very low	35	Very low	84 Å²	84	135.4 Å²	135.4	59%	0.587	77%	0.773	S	S	*	*				43.1	119.3	117.5	56.8	0	0	0	0	120.9
177	H	33.4	Very low	34.7	Very low	168 Å²	168	137.2 Å²	137.2	78%	0.778	78%	0.777	S	S	*	*				161.3	100.5	118.4	-86.6	-63.6	0	0	0	109.2
178	S	33.8	Very low	35	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	78%	0.778	S	S	*	*				68.2	117.1	95.4	64.7	0	0	0	0	115.1
179	T	34.8	Very low	35.1	Very low	134 Å²	134	135.9 Å²	135.9	82%	0.822	77%	0.773	S	S	*	*			trans	-58.8	160	166.3	50.9	0	0	0	0	111.5
180	P	36.7	Very low	35.3	Very low	127 Å²	127	130.1 Å²	130.1	83%	0.825	77%	0.77	S	S	*	*				-145.4	178	97.7	38.4	-22.3	0	0	0	115.3
181	S	31.3	Very low	35.2	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	77%	0.771	S	S	*	*			trans	-83.5	168	-177.5	50.3	0	0	0	0	115.7
182	S	34.3	Very low	35	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	77%	0.766	S	S	*	*			trans	98	109.2	147.6	75.8	0	0	0	0	120.7
183	S	34.6	Very low	35.1	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	77%	0.767	S	S	*	*				74.6	151.6	120.7	-53.3	0	0	0	0	123
184	V	32.6	Very low	35	Very low	135 Å²	135	127.3 Å²	127.3	82%	0.818	77%	0.77	S	S	*	*			trans	90.5	108.9	159	-170.1	0	0	0	0	118.3
185	R	36.1	Very low	35.1	Very low	238 Å²	238	127.6 Å²	127.6	90%	0.898	78%	0.777	S	S	*	*			trans	-64.9	143.7	151.8	-85.8	-175.9	174.8	-163.2	-0.1	108.9
186	P	39.1	Very low	35	Very low	106 Å²	106	130.2 Å²	130.2	69%	0.688	79%	0.786	S	S	*	*				-155.4	-176.6	72.8	41.9	-21.8	0	0	0	117.4
187	N	31.4	Very low	35.2	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	80%	0.795	S	S	*	*			trans	64.2	96.3	157.3	-65.1	-3.7	0	0	0	119.5
188	S	36.9	Very low	35.3	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.2	129.9	152.6	51.1	0	0	0	0	112
189	P	37.2	Very low	35.6	Very low	118 Å²	118	134 Å²	134	77%	0.766	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-102.1	136	150.3	33	-25.4	0	0	0	110.7
190	S	37.9	Very low	35.8	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69	168.4	176	-44.3	0	0	0	0	112.4
191	P	38.4	Very low	35.8	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	81%	0.806	S	S	*	*			trans	-134.3	152.9	135	38.9	-29.4	0	0	0	115.1
192	T	35	Very low	36.3	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	81%	0.811	S	S	*	*			trans	73.5	96.1	154.9	-36.5	0	0	0	0	119.3	L194	T192-L194 HydrophobicContact CG2-CG 4.23Å
193	A	36.3	Very low	36.6	Very low	105 Å²	105	138.5 Å²	138.5	87%	0.868	82%	0.815	S	S	*	*			trans	-124.7	125	135.7	0	0	0	0	0	107.9
194	L	33.8	Very low	37.1	Very low	166 Å²	166	139.1 Å²	139.1	87%	0.869	82%	0.817	S	S	*	*			trans	-98.9	130.8	176.9	-73.9	167.5	0	0	0	109.7	T192	T192-L194 HydrophobicContact CG2-CG 4.23Å
195	A	36.5	Very low	37.4	Very low	86 Å²	86	142.9 Å²	142.9	71%	0.711	82%	0.822	S	S	*	*			trans	-151.1	115.5	162.5	0	0	0	0	0	110.5
196	F	34.1	Very low	37.6	Very low	216 Å²	216	140.6 Å²	140.6	95%	0.947	82%	0.821	S	S	*	*			trans	28.8	123.8	153.6	-59.6	-84.9	0	0	0	121
197	G	36	Very low	37.7	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	83%	0.832	S	S	*	*			trans	165.8	88.1	163.1	0	0	0	0	0	114.6
198	D	34.7	Very low	38	Very low	166 Å²	166	141.3 Å²	141.3	89%	0.888	83%	0.826	S	S	*	*			trans	44.4	117.4	157.7	-57.7	-19.3	0	0	0	122.1
199	H	39.9	Very low	38.4	Very low	192 Å²	192	145.4 Å²	145.4	89%	0.889	83%	0.829	S	S	*	*			trans	-105.1	138.2	156.4	-88.2	-70.4	0	0	0	110.7
200	P	39.6	Very low	38.7	Very low	119 Å²	119	149.8 Å²	149.8	77%	0.773	84%	0.836	S	S	*	*			trans	-83.2	158.2	170.6	34	-34	0	0	0	112.8
201	V	36	Very low	39.6	Very low	133 Å²	133	151.7 Å²	151.7	81%	0.806	84%	0.836	S	S	*	*			trans	-71.9	129.2	-174.1	176.8	0	0	0	0	113.2
202	V	40.8	Very low	40.2	Very low	139 Å²	139	152.9 Å²	152.9	84%	0.842	84%	0.841	S	S	*	*			trans	-139.9	135.9	158.3	-176.6	0	0	0	0	110.1
203	Q	40.8	Very low	41.1	Very low	172 Å²	172	152 Å²	152	80%	0.804	83%	0.828	S	S	*	*			trans	-87.3	155.7	-176	-64.3	175.4	-14.3	0	0	113.4
204	P	46.3	Very low	42.4	Very low	126 Å²	126	151.1 Å²	151.1	82%	0.818	81%	0.812	S	S	*	*			trans	-92.5	149.4	173.1	35.8	-32.8	0	0	0	113.3
205	K	38.9	Very low	43.8	Very low	213 Å²	213	149.6 Å²	149.6	93%	0.926	81%	0.805	S	S	*	*			trans	-121.1	131.2	158.7	-79.9	-174.5	175.8	179.4	0	109.7
206	Q	40.4	Very low	45	Very low	190 Å²	190	151.8 Å²	151.8	89%	0.888	80%	0.804	S	S	*	*			trans	-78.3	158.6	173.1	-65.7	175.4	-41.5	0	0	111.3
207	L	41.1	Very low	47	Very low	174 Å²	174	144.8 Å²	144.8	91%	0.911	78%	0.779	S	S	*	*			trans	-159.9	143.6	141.8	-106.6	154.9	0	0	0	109.8
208	S	38.1	Very low	48.9	Very low	100 Å²	100	145.3 Å²	145.3	70%	0.699	76%	0.762	S	S	*	*			trans	-117.1	146.4	-169.1	60.9	0	0	0	0	112.8
209	F	44.6	Very low	51.1	Low	206 Å²	206	143.2 Å²	143.2	90%	0.904	75%	0.751	S	S	*	*			trans	-137.1	135.2	156.1	-77.6	-82.7	0	0	0	110
210	K	43.7	Very low	53.1	Low	211 Å²	211	141.2 Å²	141.2	92%	0.917	74%	0.74	S	S	*	*			trans	-117.6	128.9	166.5	-88	-170.9	172.7	-175.2	0	108.8
211	I	57.2	Low	55.1	Low	159 Å²	159	139.2 Å²	139.2	82%	0.815	72%	0.722	S	S	*	*			trans	-90.7	139.3	173.2	-73.9	170.5	0	0	0	108.7	Q213	I211-Q213 PolarHBondContact O-N 3.45Å
212	T	50.5	Low	57.5	Low	142 Å²	142	135.3 Å²	135.3	87%	0.871	70%	0.704	S	S	*	*			trans	-69	109.9	179.6	-39	0	0	0	0	110.6
213	Q	54.8	Low	59.7	Low	102 Å²	102	131.3 Å²	131.3	48%	0.477	69%	0.685	S	S	.	*			trans	-94.9	120.3	-176.3	-146.3	164.2	-5.1	0	0	108.1	I211 M218	I211-Q213 PolarHBondContact O-N 3.45Å; Q213-M218 HydrophobicContact CB-CG 3.94Å; Q213-M218 HydrophobicContact CB-SD 3.9Å; Q213-M218 HydrophobicContact CG-CG 3.9Å; Q213-M218 HydrophobicContact CG-SD 3.65Å; Q213-M218 PolarHBondContact OE1-SD 2.9Å
214	T	62	Low	61.9	Low	87 Å²	87	128.6 Å²	128.6	53%	0.534	68%	0.676	S	S	.	*			trans	-72.1	146.9	-179.5	70.7	0	0	0	0	111.3	L216 T217 M218	T214-L216 PolarHBondContact O-N 3.18Å; T214-L216 VanDerWaalsContact O-N 3.13Å; T214-T217 WeakPolarHBondContact O-CA 3.44Å; T214-T217 WeakPolarHBondContact O-CB 3.47Å; T214-T217 PolarHBondContact O-N 3.28Å; T214-T217 PolarHBondContact OG1-OG1 3.49Å; T214-M218 PolarHBondContact O-N 3.12Å
215	D	63.6	Low	64	Low	134 Å²	134	128.6 Å²	128.6	72%	0.717	66%	0.664	S	S	*	*	H	α-helix	trans	-55.8	-35.7	-173.7	-61.2	-45.1	0	0	0	113.4	M218 L219	D215-M218 WeakPolarHBondContact O-CB 3.5Å; D215-M218 PolarHBondContact O-N 2.88Å; D215-L219 WeakPolarHBondContact O-CB 3.49Å; D215-L219 WeakPolarHBondContact O-CG 3.33Å; D215-L219 PolarHBondContact O-N 2.85Å
216	L	62.8	Low	66.5	Low	132 Å²	132	122 Å²	122	69%	0.691	65%	0.645	S	S	*	*	H	α-helix	trans	-69.2	-33.7	176.7	-169.8	67.2	0	0	0	112.7	T214 K220	T214-L216 PolarHBondContact O-N 3.18Å; T214-L216 VanDerWaalsContact O-N 3.13Å; L216-K220 PolarHBondContact O-N 2.81Å
217	T	75.1	Confident	68.9	Low	69 Å²	69	116.6 Å²	116.6	42%	0.423	63%	0.625	S	S	.	*	H	α-helix	trans	-75.5	-39.7	174	-42.3	0	0	0	0	111.1	T214 K220 L221	T214-T217 WeakPolarHBondContact O-CA 3.44Å; T214-T217 WeakPolarHBondContact O-CB 3.47Å; T214-T217 PolarHBondContact O-N 3.28Å; T214-T217 PolarHBondContact OG1-OG1 3.49Å; T217-K220 PolarHBondContact O-N 2.88Å; T217-L221 HydrophobicContact CG2-CD1 4.16Å; T217-L221 WeakPolarHBondContact O-CB 3.34Å; T217-L221 WeakPolarHBondContact O-CG 3.46Å; T217-L221 PolarHBondContact O-N 3.44Å
218	M	76	Confident	71.3	Confident	85 Å²	85	115.8 Å²	115.8	42%	0.419	61%	0.614	S	S	.	*	H	α-helix	trans	-55.5	-50.1	171.4	-80.2	-65.4	-63.2	0	0	111.4	Q213 T214 D215 K220 L221 A222	Q213-M218 HydrophobicContact CB-CG 3.94Å; Q213-M218 HydrophobicContact CB-SD 3.9Å; Q213-M218 HydrophobicContact CG-CG 3.9Å; Q213-M218 HydrophobicContact CG-SD 3.65Å; Q213-M218 PolarHBondContact OE1-SD 2.9Å; T214-M218 PolarHBondContact O-N 3.12Å; D215-M218 WeakPolarHBondContact O-CB 3.5Å; D215-M218 PolarHBondContact O-N 2.88Å; M218-K220 PolarHBondContact O-N 3.47Å; M218-L221 PolarHBondContact O-N 3.44Å; M218-A222 WeakPolarHBondContact O-CB 3.37Å; M218-A222 PolarHBondContact O-N 3.48Å
219	L	80.6	Confident	73.9	Confident	122 Å²	122	115.4 Å²	115.4	64%	0.639	61%	0.605	S	S	*	*	H	α-helix	trans	-60.7	-42.8	178.3	-83.1	163.2	0	0	0	112.8	D215 A223	D215-L219 WeakPolarHBondContact O-CB 3.49Å; D215-L219 WeakPolarHBondContact O-CG 3.33Å; D215-L219 PolarHBondContact O-N 2.85Å; L219-A223 WeakPolarHBondContact O-CB 3.3Å; L219-A223 PolarHBondContact O-N 3.3Å
220	K	82.6	Confident	76.2	Confident	151 Å²	151	110.5 Å²	110.5	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-64.6	-40.4	175.6	-92.1	-174.7	174.4	179.3	0	112.9	L216 T217 M218 L224	L216-K220 PolarHBondContact O-N 2.81Å; T217-K220 PolarHBondContact O-N 2.88Å; M218-K220 PolarHBondContact O-N 3.47Å; K220-L224 WeakPolarHBondContact O-CB 3.3Å; K220-L224 WeakPolarHBondContact O-CG 3.44Å; K220-L224 PolarHBondContact O-N 3.27Å
221	L	82	Confident	78.5	Confident	77 Å²	77	103.8 Å²	103.8	40%	0.403	56%	0.558	S	S	.	*	H	α-helix	trans	-68.2	-45.1	177.4	-74.6	166.4	0	0	0	111.1	T217 M218 A223 L224 E225	T217-L221 HydrophobicContact CG2-CD1 4.16Å; T217-L221 WeakPolarHBondContact O-CB 3.34Å; T217-L221 WeakPolarHBondContact O-CG 3.46Å; T217-L221 PolarHBondContact O-N 3.44Å; M218-L221 PolarHBondContact O-N 3.44Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 3.38Å; L221-L224 PolarHBondContact O-N 2.76Å; L221-E225 VanDerWaalsContact O-CB 3.26Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 2.79Å
222	A	85.9	Confident	80.2	Confident	51 Å²	51	100.4 Å²	100.4	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-60.2	-38.5	174.7	0	0	0	0	0	112.4	M218 S226	M218-A222 WeakPolarHBondContact O-CB 3.37Å; M218-A222 PolarHBondContact O-N 3.48Å; A222-S226 WeakPolarHBondContact O-CB 3.48Å; A222-S226 PolarHBondContact O-N 2.98Å
223	A	86.7	Confident	82.2	Confident	55 Å²	55	100 Å²	100	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-67.7	-41.4	174.8	0	0	0	0	0	112.6	L219 L221 T227	L219-A223 WeakPolarHBondContact O-CB 3.3Å; L219-A223 PolarHBondContact O-N 3.3Å; L221-A223 VanDerWaalsContact C-N 3.31Å; L221-A223 PolarHBondContact O-N 3.38Å; A223-T227 WeakPolarHBondContact O-CB 3.49Å; A223-T227 PolarHBondContact O-N 3.49Å; A223-T227 PolarHBondContact O-OG1 3.39Å
224	L	88.3	Confident	84.1	Confident	115 Å²	115	100.4 Å²	100.4	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-66.4	-40.7	174.9	-81.3	167.4	0	0	0	112.3	K220 L221 T227 K228	K220-L224 WeakPolarHBondContact O-CB 3.3Å; K220-L224 WeakPolarHBondContact O-CG 3.44Å; K220-L224 PolarHBondContact O-N 3.27Å; L221-L224 PolarHBondContact O-N 2.76Å; L224-T227 PolarHBondContact O-N 3.1Å; L224-K228 WeakPolarHBondContact O-CB 3.5Å; L224-K228 PolarHBondContact O-N 3.05Å
225	E	88.4	Confident	85.6	Confident	125 Å²	125	102.5 Å²	102.5	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-45.3	176.6	-173.1	167.9	-143.2	0	0	111	L221 T227 K228 N229	L221-E225 VanDerWaalsContact O-CB 3.26Å; L221-E225 WeakPolarHBondContact O-CB 3.47Å; L221-E225 PolarHBondContact O-N 2.79Å; E225-T227 PolarHBondContact O-N 3.38Å; E225-K228 PolarHBondContact O-N 3.3Å; E225-N229 WeakPolarHBondContact O-CB 3.46Å; E225-N229 VanDerWaalsContact O-CG 3.22Å; E225-N229 PolarHBondContact O-N 3.02Å; E225-N229 PolarHBondContact O-OD1 3.14Å
226	S	91.9	Very high	87	Confident	74 Å²	74	101.6 Å²	101.6	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-57.1	-46	171	177.5	0	0	0	0	112	A222 N229 Q230	A222-S226 WeakPolarHBondContact O-CB 3.48Å; A222-S226 PolarHBondContact O-N 2.98Å; S226-N229 PolarHBondContact O-N 3.02Å; S226-Q230 WeakPolarHBondContact O-CB 3.34Å; S226-Q230 PolarHBondContact O-N 3.45Å
227	T	91.8	Very high	88.5	Confident	77 Å²	77	96.9 Å²	96.9	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-43.9	177.3	-53.1	0	0	0	0	111.5	A223 L224 E225 Q230 D231	A223-T227 WeakPolarHBondContact O-CB 3.49Å; A223-T227 PolarHBondContact O-N 3.49Å; A223-T227 PolarHBondContact O-OG1 3.39Å; L224-T227 PolarHBondContact O-N 3.1Å; E225-T227 PolarHBondContact O-N 3.38Å; T227-Q230 PolarHBondContact O-N 2.95Å; T227-D231 PolarHBondContact O-N 3.24Å
228	K	91.8	Very high	89.5	Confident	157 Å²	157	102.3 Å²	102.3	68%	0.683	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-41.8	176.7	-102.1	-169.6	173	-175.9	0	112.8	L224 E225 D231 L232	L224-K228 WeakPolarHBondContact O-CB 3.5Å; L224-K228 PolarHBondContact O-N 3.05Å; E225-K228 PolarHBondContact O-N 3.3Å; K228-D231 PolarHBondContact O-N 3.21Å; K228-L232 WeakPolarHBondContact O-CB 3.47Å; K228-L232 PolarHBondContact O-N 2.99Å
229	N	91.8	Very high	90.4	Very high	93 Å²	93	102.7 Å²	102.7	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.5	-43.2	177.2	-71.9	-6.6	0	0	0	110.3	E225 S226 D231 L232 E233	E225-N229 WeakPolarHBondContact O-CB 3.46Å; E225-N229 VanDerWaalsContact O-CG 3.22Å; E225-N229 PolarHBondContact O-N 3.02Å; E225-N229 PolarHBondContact O-OD1 3.14Å; S226-N229 PolarHBondContact O-N 3.02Å; N229-D231 VanDerWaalsContact C-N 3.3Å; N229-D231 PolarHBondContact O-N 3.46Å; N229-L232 WeakPolarHBondContact O-CB 3.27Å; N229-L232 PolarHBondContact O-N 2.96Å; N229-E233 WeakPolarHBondContact O-CB 3.34Å; N229-E233 PolarHBondContact O-N 3.44Å
230	Q	92.8	Very high	91.1	Very high	102 Å²	102	101.4 Å²	101.4	48%	0.477	52%	0.516	S	S	.	.	H	α-helix	trans	-65.6	-31.7	176.1	-156.7	-175	70.5	0	0	112.7	S226 T227 K234	S226-Q230 WeakPolarHBondContact O-CB 3.34Å; S226-Q230 PolarHBondContact O-N 3.45Å; T227-Q230 PolarHBondContact O-N 2.95Å; Q230-K234 WeakPolarHBondContact O-CD 3.43Å; Q230-K234 WeakPolarHBondContact O-CE 3.34Å; Q230-K234 WeakPolarHBondContact O-CG 3.48Å; Q230-K234 PolarHBondContact O-N 3.01Å; Q230-K234 VanDerWaalsContact O-N 3.13Å
231	D	92.6	Very high	91.7	Very high	70 Å²	70	99.1 Å²	99.1	37%	0.374	51%	0.511	S	S	.	.	H	α-helix	trans	-78.7	-26.4	172.8	-88.8	8.7	0	0	0	113.8	T227 K228 N229 K234 K235	T227-D231 PolarHBondContact O-N 3.24Å; K228-D231 PolarHBondContact O-N 3.21Å; N229-D231 VanDerWaalsContact C-N 3.3Å; N229-D231 PolarHBondContact O-N 3.46Å; D231-K234 IonicContact OD1-NZ 2.63Å; D231-K234 PolarHBondContact OD1-NZ 3.47Å; D231-K235 WeakPolarHBondContact O-CD 3.27Å; D231-K235 VanDerWaalsContact O-CG 3.25Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.18Å
232	L	92.7	Very high	92.4	Very high	89 Å²	89	100.2 Å²	100.2	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-68.4	-49.8	168.1	-86.9	165	0	0	0	110.2	K228 N229 K234 K235 E236	K228-L232 WeakPolarHBondContact O-CB 3.47Å; K228-L232 PolarHBondContact O-N 2.99Å; N229-L232 WeakPolarHBondContact O-CB 3.27Å; N229-L232 PolarHBondContact O-N 2.96Å; L232-K234 VanDerWaalsContact C-N 3.32Å; L232-K234 PolarHBondContact O-N 3.25Å; L232-K235 CarbonylContact O-C 3.59Å; L232-K235 WeakPolarHBondContact O-CA 3.46Å; L232-K235 WeakPolarHBondContact O-CB 3.43Å; L232-K235 PolarHBondContact O-N 3.5Å; L232-E236 WeakPolarHBondContact O-CG 3.44Å; L232-E236 PolarHBondContact O-N 2.86Å
233	E	92.9	Very high	92.9	Very high	132 Å²	132	102.5 Å²	102.5	62%	0.617	52%	0.521	S	S	*	.	H	α-helix	trans	-57.6	-41.9	178.2	-170.4	175.4	-151	0	0	111.8	N229 K235 E236 G237	N229-E233 WeakPolarHBondContact O-CB 3.34Å; N229-E233 PolarHBondContact O-N 3.44Å; E233-K235 VanDerWaalsContact C-N 3.33Å; E233-K235 PolarHBondContact O-N 3.5Å; E233-E236 PolarHBondContact O-N 2.94Å; E233-G237 PolarHBondContact O-N 3Å
234	K	93.3	Very high	93.4	Very high	112 Å²	112	107.8 Å²	107.8	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-36.3	170.5	-72.9	166.6	-150.6	156	0	113.3	Q230 D231 L232 R238	Q230-K234 WeakPolarHBondContact O-CD 3.43Å; Q230-K234 WeakPolarHBondContact O-CE 3.34Å; Q230-K234 WeakPolarHBondContact O-CG 3.48Å; Q230-K234 PolarHBondContact O-N 3.01Å; Q230-K234 VanDerWaalsContact O-N 3.13Å; D231-K234 IonicContact OD1-NZ 2.63Å; D231-K234 PolarHBondContact OD1-NZ 3.47Å; L232-K234 VanDerWaalsContact C-N 3.32Å; L232-K234 PolarHBondContact O-N 3.25Å; K234-R238 WeakPolarHBondContact O-CB 3.49Å; K234-R238 PolarHBondContact O-N 3.22Å; K234-R238 VanDerWaalsContact O-N 3.15Å
235	K	93.1	Very high	93.8	Very high	131 Å²	131	104.5 Å²	104.5	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-75.8	-40.2	179.1	-76.7	169.1	-175.9	171.3	0	111.5	D231 L232 E233 R238 I239	D231-K235 WeakPolarHBondContact O-CD 3.27Å; D231-K235 VanDerWaalsContact O-CG 3.25Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.18Å; L232-K235 CarbonylContact O-C 3.59Å; L232-K235 WeakPolarHBondContact O-CA 3.46Å; L232-K235 WeakPolarHBondContact O-CB 3.43Å; L232-K235 PolarHBondContact O-N 3.5Å; E233-K235 VanDerWaalsContact C-N 3.33Å; E233-K235 PolarHBondContact O-N 3.5Å; K235-R238 PolarHBondContact O-N 3.04Å; K235-I239 VanDerWaalsContact O-CG1 3.28Å; K235-I239 WeakPolarHBondContact O-CG1 3.43Å; K235-I239 PolarHBondContact O-N 2.94Å
236	E	94	Very high	94.2	Very high	115 Å²	115	102.4 Å²	102.4	54%	0.537	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-50	174.4	-71.6	175	160.2	0	0	110.3	L232 E233 R238 I239 D240	L232-E236 WeakPolarHBondContact O-CG 3.44Å; L232-E236 PolarHBondContact O-N 2.86Å; E233-E236 PolarHBondContact O-N 2.94Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.97Å; E236-I239 WeakPolarHBondContact O-CA 3.5Å; E236-I239 WeakPolarHBondContact O-CB 3.43Å; E236-I239 PolarHBondContact O-N 3.33Å; E236-D240 PolarHBondContact O-N 2.81Å
237	G	94.8	Very high	94.4	Very high	33 Å²	33	102.9 Å²	102.9	34%	0.34	51%	0.514	S	S	.	.	H	α-helix	trans	-56.6	-39.9	173.3	0	0	0	0	0	113.2	E233 D240 D241	E233-G237 PolarHBondContact O-N 3Å; G237-D240 PolarHBondContact O-N 2.95Å; G237-D241 PolarHBondContact O-N 2.64Å
238	R	95.2	Very high	94.7	Very high	182 Å²	182	102.2 Å²	102.2	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-70.3	-29.5	175.5	-168.9	171.1	-174.8	166.7	2.4	113.4	K234 K235 E236 L242	K234-R238 WeakPolarHBondContact O-CB 3.49Å; K234-R238 PolarHBondContact O-N 3.22Å; K234-R238 VanDerWaalsContact O-N 3.15Å; K235-R238 PolarHBondContact O-N 3.04Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 2.97Å; R238-L242 HydrophobicContact CG-CD1 4.48Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 WeakPolarHBondContact O-CD1 3.22Å; R238-L242 VanDerWaalsContact O-CG 3.24Å; R238-L242 WeakPolarHBondContact O-CG 3.5Å; R238-L242 PolarHBondContact O-N 3.32Å; R238-L242 VanDerWaalsContact O-N 3.13Å
239	I	95.4	Very high	94.9	Very high	94 Å²	94	99.1 Å²	99.1	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-68.7	-45.2	171.5	-72.8	162.8	0	0	0	109.3	K235 E236 D241 L242 L243	K235-I239 VanDerWaalsContact O-CG1 3.28Å; K235-I239 WeakPolarHBondContact O-CG1 3.43Å; K235-I239 PolarHBondContact O-N 2.94Å; E236-I239 WeakPolarHBondContact O-CA 3.5Å; E236-I239 WeakPolarHBondContact O-CB 3.43Å; E236-I239 PolarHBondContact O-N 3.33Å; I239-D241 PolarHBondContact O-N 3.06Å; I239-L242 CarbonylContact O-C 3.52Å; I239-L242 PolarHBondContact O-N 2.94Å; I239-L242 VanDerWaalsContact O-N 3.16Å; I239-L243 HydrophobicContact CG2-CD1 3.87Å; I239-L243 HydrophobicContact CG2-CG 4.24Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.31Å
240	D	95.3	Very high	95.2	Very high	94 Å²	94	102.7 Å²	102.7	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-40.9	177.1	-77.7	-13	0	0	0	112.6	E236 G237 L243 R244	E236-D240 PolarHBondContact O-N 2.81Å; G237-D240 PolarHBondContact O-N 2.95Å; D240-L243 PolarHBondContact O-N 3.41Å; D240-R244 WeakPolarHBondContact O-CB 3.39Å; D240-R244 PolarHBondContact O-N 3.28Å
241	D	95.8	Very high	95.4	Very high	104 Å²	104	104.6 Å²	104.6	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-61.2	-44	172.6	-76.4	-23.4	0	0	0	111.8	G237 I239 R244 A245	G237-D241 PolarHBondContact O-N 2.64Å; I239-D241 PolarHBondContact O-N 3.06Å; D241-R244 PolarHBondContact O-N 2.92Å; D241-A245 WeakPolarHBondContact O-CB 3.42Å; D241-A245 PolarHBondContact O-N 3.32Å
242	L	96.1	Very high	95.6	Very high	99 Å²	99	106.6 Å²	106.6	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-69.1	-34.3	177.9	-75.2	171	0	0	0	112.9	R238 I239 N246	R238-L242 HydrophobicContact CG-CD1 4.48Å; R238-L242 WeakPolarHBondContact O-CB 3.45Å; R238-L242 WeakPolarHBondContact O-CD1 3.22Å; R238-L242 VanDerWaalsContact O-CG 3.24Å; R238-L242 WeakPolarHBondContact O-CG 3.5Å; R238-L242 PolarHBondContact O-N 3.32Å; R238-L242 VanDerWaalsContact O-N 3.13Å; I239-L242 CarbonylContact O-C 3.52Å; I239-L242 PolarHBondContact O-N 2.94Å; I239-L242 VanDerWaalsContact O-N 3.16Å; L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 PolarHBondContact O-N 2.69Å; L242-N246 PolarHBondContact O-ND2 2.82Å
243	L	96.6	Very high	95.8	Very high	100 Å²	100	106.9 Å²	106.9	52%	0.524	52%	0.515	S	S	.	.	H	α-helix	trans	-66.6	-45.4	173.2	-73.7	172.6	0	0	0	110.5	I239 D240 N246 C247	I239-L243 HydrophobicContact CG2-CD1 3.87Å; I239-L243 HydrophobicContact CG2-CG 4.24Å; I239-L243 WeakPolarHBondContact O-CB 3.46Å; I239-L243 VanDerWaalsContact O-CG 3.31Å; I239-L243 WeakPolarHBondContact O-CG 3.33Å; I239-L243 PolarHBondContact O-N 3.31Å; D240-L243 PolarHBondContact O-N 3.41Å; L243-N246 WeakPolarHBondContact O-CB 3.24Å; L243-N246 PolarHBondContact O-N 2.85Å; L243-C247 PolarHBondContact O-N 3.31Å; L243-C247 PolarHBondContact O-SG 3Å
244	R	96.9	Very high	96.1	Very high	166 Å²	166	104.4 Å²	104.4	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-60.7	-47.2	176.1	-163.1	-179.7	-53.1	-136.9	1.2	111.5	D240 D241 N246 C247 D248	D240-R244 WeakPolarHBondContact O-CB 3.39Å; D240-R244 PolarHBondContact O-N 3.28Å; D241-R244 PolarHBondContact O-N 2.92Å; R244-N246 VanDerWaalsContact C-N 3.32Å; R244-N246 PolarHBondContact O-N 3.16Å; R244-C247 WeakPolarHBondContact O-CB 3.3Å; R244-C247 PolarHBondContact O-N 3.49Å; R244-C247 VanDerWaalsContact O-N 3.15Å; R244-D248 PolarHBondContact O-N 3.29Å
245	A	96.9	Very high	96.2	Very high	45 Å²	45	102.6 Å²	102.6	37%	0.372	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-38.3	174.6	0	0	0	0	0	112.7	D241 D248 L249	D241-A245 WeakPolarHBondContact O-CB 3.42Å; D241-A245 PolarHBondContact O-N 3.32Å; A245-D248 PolarHBondContact O-N 3.5Å; A245-L249 WeakPolarHBondContact O-CB 3.41Å; A245-L249 VanDerWaalsContact O-CG 3.32Å; A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 2.91Å
246	N	96.3	Very high	96.5	Very high	82 Å²	82	102.6 Å²	102.6	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-40	173.4	-93.1	-82.9	0	0	0	112.6	L242 L243 R244 L249 R250	L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 PolarHBondContact O-N 2.69Å; L242-N246 PolarHBondContact O-ND2 2.82Å; L243-N246 WeakPolarHBondContact O-CB 3.24Å; L243-N246 PolarHBondContact O-N 2.85Å; R244-N246 VanDerWaalsContact C-N 3.32Å; R244-N246 PolarHBondContact O-N 3.16Å; N246-L249 PolarHBondContact O-N 3.13Å; N246-R250 WeakPolarHBondContact O-CB 3.31Å; N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.19Å; N246-R250 PolarHBondContact O-N 3.28Å
247	C	97	Very high	96.6	Very high	84 Å²	84	102.7 Å²	102.7	57%	0.568	51%	0.505	S	S	*	.	H	α-helix	trans	-62.9	-43.5	174.1	-73.6	0	0	0	0	111.8	L243 R244 R250 R251	L243-C247 PolarHBondContact O-N 3.31Å; L243-C247 PolarHBondContact O-SG 3Å; R244-C247 WeakPolarHBondContact O-CB 3.3Å; R244-C247 PolarHBondContact O-N 3.49Å; R244-C247 VanDerWaalsContact O-N 3.15Å; C247-R250 PolarHBondContact O-N 3.48Å; C247-R251 PolarHBondContact O-N 2.94Å
248	D	96.7	Very high	96.7	Very high	62 Å²	62	106.6 Å²	106.6	33%	0.332	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-40.6	176.4	-79	-42.4	0	0	0	112.4	R244 A245 R251 Q252	R244-D248 PolarHBondContact O-N 3.29Å; A245-D248 PolarHBondContact O-N 3.5Å; D248-R251 PolarHBondContact O-N 3.01Å; D248-R251 IonicContact OD1-CZ 3.7Å; D248-R251 IonicContact OD1-NH1 3.58Å; D248-R251 PolarHBondContact OD1-NH1 2.71Å; D248-R251 IonicContact OD1-NH2 2.69Å; D248-Q252 WeakPolarHBondContact O-CG 3.45Å; D248-Q252 PolarHBondContact O-N 3.49Å
249	L	97.3	Very high	96.8	Very high	93 Å²	93	101.4 Å²	101.4	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-63.4	-40.4	174.3	-76	171.5	0	0	0	112.3	A245 N246 Q252 I253	A245-L249 WeakPolarHBondContact O-CB 3.41Å; A245-L249 VanDerWaalsContact O-CG 3.32Å; A245-L249 WeakPolarHBondContact O-CG 3.4Å; A245-L249 PolarHBondContact O-N 2.91Å; N246-L249 PolarHBondContact O-N 3.13Å; L249-Q252 PolarHBondContact O-N 3.21Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3.41Å
250	R	97.3	Very high	96.9	Very high	168 Å²	168	101.7 Å²	101.7	63%	0.634	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-45.7	173.2	-75	170.2	-179.3	-83.2	-0.1	111.3	N246 C247 Q252 I253 D254	N246-R250 WeakPolarHBondContact O-CB 3.31Å; N246-R250 VanDerWaalsContact O-CG 3.26Å; N246-R250 WeakPolarHBondContact O-CG 3.19Å; N246-R250 PolarHBondContact O-N 3.28Å; C247-R250 PolarHBondContact O-N 3.48Å; R250-Q252 VanDerWaalsContact C-N 3.32Å; R250-Q252 PolarHBondContact O-N 2.89Å; R250-I253 PolarHBondContact O-N 3.42Å; R250-D254 PolarHBondContact O-N 3.48Å
251	R	96.9	Very high	97	Very high	142 Å²	142	101.5 Å²	101.5	54%	0.536	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-42.1	175.4	-163.4	179.4	79.8	-128.5	-1.6	111.9	C247 D248 D254 D255	C247-R251 PolarHBondContact O-N 2.94Å; D248-R251 PolarHBondContact O-N 3.01Å; D248-R251 IonicContact OD1-CZ 3.7Å; D248-R251 IonicContact OD1-NH1 3.58Å; D248-R251 PolarHBondContact OD1-NH1 2.71Å; D248-R251 IonicContact OD1-NH2 2.69Å; R251-D254 PolarHBondContact O-N 3.47Å; R251-D255 WeakPolarHBondContact O-CB 3.42Å; R251-D255 VanDerWaalsContact O-CG 3.29Å; R251-D255 PolarHBondContact O-N 3.47Å
252	Q	97.3	Very high	97	Very high	112 Å²	112	103.3 Å²	103.3	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-40.5	175.8	-72	175.8	37.7	0	0	112.6	D248 L249 R250 D255 Q256	D248-Q252 WeakPolarHBondContact O-CG 3.45Å; D248-Q252 PolarHBondContact O-N 3.49Å; L249-Q252 PolarHBondContact O-N 3.21Å; R250-Q252 VanDerWaalsContact C-N 3.32Å; R250-Q252 PolarHBondContact O-N 2.89Å; Q252-D255 PolarHBondContact O-N 2.99Å; Q252-Q256 WeakPolarHBondContact O-CB 3.41Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 3.19Å
253	I	97.5	Very high	97	Very high	95 Å²	95	105.4 Å²	105.4	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-46.4	175.3	-70.1	166.8	0	0	0	110.5	L249 R250 D255 Q256 Q257	L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3.41Å; R250-I253 PolarHBondContact O-N 3.42Å; I253-D255 VanDerWaalsContact C-N 3.31Å; I253-D255 PolarHBondContact O-N 3.46Å; I253-Q256 PolarHBondContact O-N 3.03Å; I253-Q257 HydrophobicContact CG2-CG 4.46Å; I253-Q257 WeakPolarHBondContact O-CG 3.48Å; I253-Q257 PolarHBondContact O-N 2.85Å
254	D	97.5	Very high	97	Very high	80 Å²	80	104.9 Å²	104.9	43%	0.428	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-40.2	177.7	-68.6	-11.4	0	0	0	111.8	R250 R251 Q257 K258	R250-D254 PolarHBondContact O-N 3.48Å; R251-D254 PolarHBondContact O-N 3.47Å; D254-Q257 PolarHBondContact O-N 2.73Å; D254-K258 WeakPolarHBondContact O-CE 3.37Å; D254-K258 VanDerWaalsContact O-CG 3.24Å; D254-K258 WeakPolarHBondContact O-CG 3.29Å; D254-K258 PolarHBondContact O-N 3.04Å
255	D	97.4	Very high	96.9	Very high	74 Å²	74	101.7 Å²	101.7	40%	0.396	49%	0.486	S	S	.	.	H	α-helix	trans	-71.4	-36.6	178.5	-69.6	-21.1	0	0	0	112.4	R251 Q252 I253 K258 L259	R251-D255 WeakPolarHBondContact O-CB 3.42Å; R251-D255 VanDerWaalsContact O-CG 3.29Å; R251-D255 PolarHBondContact O-N 3.47Å; Q252-D255 PolarHBondContact O-N 2.99Å; I253-D255 VanDerWaalsContact C-N 3.31Å; I253-D255 PolarHBondContact O-N 3.46Å; D255-K258 IonicContact OD1-NZ 2.75Å; D255-K258 PolarHBondContact OD1-NZ 2.68Å; D255-L259 WeakPolarHBondContact O-CB 3.48Å; D255-L259 PolarHBondContact O-N 3.33Å
256	Q	97.3	Very high	96.9	Very high	131 Å²	131	108.5 Å²	108.5	61%	0.612	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-41.8	170.3	-73.6	-73.8	-21.4	0	0	111.8	Q252 I253 L259 L260	Q252-Q256 WeakPolarHBondContact O-CB 3.41Å; Q252-Q256 WeakPolarHBondContact O-CG 3.35Å; Q252-Q256 PolarHBondContact O-N 3.19Å; I253-Q256 PolarHBondContact O-N 3.03Å; Q256-L259 PolarHBondContact O-N 3.15Å; Q256-L260 WeakPolarHBondContact O-CB 3.37Å; Q256-L260 PolarHBondContact O-N 2.86Å
257	Q	97.5	Very high	96.7	Very high	117 Å²	117	108.9 Å²	108.9	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-46.1	176.2	-73.8	178.2	9.7	0	0	111.9	I253 D254 L259 L260 E261	I253-Q257 HydrophobicContact CG2-CG 4.46Å; I253-Q257 WeakPolarHBondContact O-CG 3.48Å; I253-Q257 PolarHBondContact O-N 2.85Å; D254-Q257 PolarHBondContact O-N 2.73Å; Q257-L259 VanDerWaalsContact C-N 3.26Å; Q257-L259 PolarHBondContact O-N 2.91Å; Q257-L260 PolarHBondContact O-N 2.89Å; Q257-E261 PolarHBondContact O-N 2.92Å
258	K	97.3	Very high	96.5	Very high	114 Å²	114	109.9 Å²	109.9	50%	0.496	50%	0.503	S	S	.	.	H	α-helix	trans	-59.1	-37.4	174.2	-68.8	164.3	-152.4	157.3	0	112.1	D254 D255 K262	D254-K258 WeakPolarHBondContact O-CE 3.37Å; D254-K258 VanDerWaalsContact O-CG 3.24Å; D254-K258 WeakPolarHBondContact O-CG 3.29Å; D254-K258 PolarHBondContact O-N 3.04Å; D255-K258 IonicContact OD1-NZ 2.75Å; D255-K258 PolarHBondContact OD1-NZ 2.68Å; K258-K262 WeakPolarHBondContact O-CG 3.4Å; K258-K262 PolarHBondContact O-N 2.58Å
259	L	96.7	Very high	96.4	Very high	74 Å²	74	113.3 Å²	113.3	39%	0.387	52%	0.516	S	S	.	.	H	α-helix	trans	-70.8	-42.6	178	-176.3	61.7	0	0	0	111.7	D255 Q256 Q257 E261 K262 Y263	D255-L259 WeakPolarHBondContact O-CB 3.48Å; D255-L259 PolarHBondContact O-N 3.33Å; Q256-L259 PolarHBondContact O-N 3.15Å; Q257-L259 VanDerWaalsContact C-N 3.26Å; Q257-L259 PolarHBondContact O-N 2.91Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 2.92Å; L259-K262 PolarHBondContact O-N 3.43Å; L259-Y263 HydrophobicContact CD1-CD2 4.35Å; L259-Y263 HydrophobicContact CD1-CE2 3.8Å; L259-Y263 HydrophobicContact CD2-CE2 4.11Å; L259-Y263 HydrophobicContact CG-CD2 4.06Å; L259-Y263 HydrophobicContact CG-CE2 3.61Å; L259-Y263 WeakPolarHBondContact O-CD2 3.45Å; L259-Y263 PolarHBondContact O-N 3.5Å
260	L	97.1	Very high	96.3	Very high	99 Å²	99	112.1 Å²	112.1	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-59.2	-42.6	174.1	-180	62.8	0	0	0	111.6	Q256 Q257 Y263 K264	Q256-L260 WeakPolarHBondContact O-CB 3.37Å; Q256-L260 PolarHBondContact O-N 2.86Å; Q257-L260 PolarHBondContact O-N 2.89Å; L260-Y263 WeakPolarHBondContact O-CB 3.41Å; L260-Y263 PolarHBondContact O-N 3.37Å; L260-Y263 VanDerWaalsContact O-N 3.14Å; L260-K264 PolarHBondContact O-N 2.83Å
261	E	97.2	Very high	96.1	Very high	91 Å²	91	106.1 Å²	106.1	43%	0.425	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-40.1	179.3	-153.8	57.6	-140.4	0	0	112.1	Q257 L259 Y263 K264 E265	Q257-E261 PolarHBondContact O-N 2.92Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 2.92Å; E261-Y263 VanDerWaalsContact C-N 3.29Å; E261-Y263 PolarHBondContact O-N 3.44Å; E261-K264 PolarHBondContact O-N 2.84Å; E261-K264 IonicContact OE1-NZ 2.7Å; E261-K264 WeakPolarHBondContact OE2-CD 3.22Å; E261-K264 WeakPolarHBondContact OE2-CE 3.34Å; E261-K264 IonicContact OE2-NZ 3.58Å; E261-K264 PolarHBondContact OE2-NZ 3.25Å; E261-E265 PolarHBondContact O-N 3.49Å
262	K	96.7	Very high	96	Very high	141 Å²	141	103 Å²	103	61%	0.613	49%	0.494	S	S	*	.	H	α-helix	trans	-59.4	-37.3	170.7	-73.2	174.1	-179.4	178.7	0	112.7	K258 L259 R266	K258-K262 WeakPolarHBondContact O-CG 3.4Å; K258-K262 PolarHBondContact O-N 2.58Å; L259-K262 PolarHBondContact O-N 3.43Å; K262-R266 WeakPolarHBondContact O-CB 3.1Å; K262-R266 PolarHBondContact O-N 2.99Å; K262-R266 VanDerWaalsContact O-N 3.1Å
263	Y	96	Very high	95.9	Very high	143 Å²	143	103 Å²	103	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-68.5	-41.6	174.7	-75.2	-56.3	0	0	0	112.2	L259 L260 E261 R266 L267	L259-Y263 HydrophobicContact CD1-CD2 4.35Å; L259-Y263 HydrophobicContact CD1-CE2 3.8Å; L259-Y263 HydrophobicContact CD2-CE2 4.11Å; L259-Y263 HydrophobicContact CG-CD2 4.06Å; L259-Y263 HydrophobicContact CG-CE2 3.61Å; L259-Y263 WeakPolarHBondContact O-CD2 3.45Å; L259-Y263 PolarHBondContact O-N 3.5Å; L260-Y263 WeakPolarHBondContact O-CB 3.41Å; L260-Y263 PolarHBondContact O-N 3.37Å; L260-Y263 VanDerWaalsContact O-N 3.14Å; E261-Y263 VanDerWaalsContact C-N 3.29Å; E261-Y263 PolarHBondContact O-N 3.44Å; Y263-R266 PolarHBondContact O-N 3.06Å; Y263-L267 WeakPolarHBondContact O-CB 3.43Å; Y263-L267 PolarHBondContact O-N 2.96Å
264	K	95.4	Very high	95.8	Very high	90 Å²	90	100.6 Å²	100.6	39%	0.391	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-46.4	173.3	-67.2	178.8	-164.7	159.4	0	112	L260 E261 R266 L267 N268	L260-K264 PolarHBondContact O-N 2.83Å; E261-K264 PolarHBondContact O-N 2.84Å; E261-K264 IonicContact OE1-NZ 2.7Å; E261-K264 WeakPolarHBondContact OE2-CD 3.22Å; E261-K264 WeakPolarHBondContact OE2-CE 3.34Å; E261-K264 IonicContact OE2-NZ 3.58Å; E261-K264 PolarHBondContact OE2-NZ 3.25Å; K264-R266 VanDerWaalsContact C-N 3.31Å; K264-R266 PolarHBondContact O-N 3.47Å; K264-L267 PolarHBondContact O-N 3.49Å; K264-N268 WeakPolarHBondContact O-CB 3.21Å; K264-N268 VanDerWaalsContact O-CG 3.26Å; K264-N268 PolarHBondContact O-N 3.22Å; K264-N268 PolarHBondContact O-ND2 3.12Å
265	E	96.2	Very high	95.7	Very high	99 Å²	99	99.5 Å²	99.5	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-56.2	-45.4	175.1	-82.7	-167.6	-149.8	0	0	112.2	E261 N268 K269	E261-E265 PolarHBondContact O-N 3.49Å; E265-N268 PolarHBondContact O-N 2.97Å; E265-K269 WeakPolarHBondContact O-CB 3.44Å; E265-K269 WeakPolarHBondContact O-CD 3.31Å; E265-K269 VanDerWaalsContact O-CG 3.3Å; E265-K269 WeakPolarHBondContact O-CG 3.35Å; E265-K269 PolarHBondContact O-N 3.43Å; E265-K269 IonicContact OE2-NZ 2.83Å; E265-K269 PolarHBondContact OE2-NZ 3.33Å
266	R	95.4	Very high	95.7	Very high	188 Å²	188	102.4 Å²	102.4	71%	0.709	49%	0.488	S	S	*	.	H	α-helix	trans	-65.7	-40.3	179.3	-173	175.8	-179.6	174.3	0.1	111.4	K262 Y263 K264 K269 C270	K262-R266 WeakPolarHBondContact O-CB 3.1Å; K262-R266 PolarHBondContact O-N 2.99Å; K262-R266 VanDerWaalsContact O-N 3.1Å; Y263-R266 PolarHBondContact O-N 3.06Å; K264-R266 VanDerWaalsContact C-N 3.31Å; K264-R266 PolarHBondContact O-N 3.47Å; R266-K269 PolarHBondContact O-N 3.45Å; R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 2.84Å
267	L	92.5	Very high	95.7	Very high	90 Å²	90	100.8 Å²	100.8	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-46.2	174.6	-179.3	60.8	0	0	0	111.2	Y263 K264 K269 C270 I271	Y263-L267 WeakPolarHBondContact O-CB 3.43Å; Y263-L267 PolarHBondContact O-N 2.96Å; K264-L267 PolarHBondContact O-N 3.49Å; L267-K269 PolarHBondContact O-N 2.94Å; L267-C270 CarbonylContact O-C 3.6Å; L267-C270 WeakPolarHBondContact O-CA 3.38Å; L267-C270 WeakPolarHBondContact O-CB 3.4Å; L267-C270 PolarHBondContact O-N 3.2Å; L267-C270 VanDerWaalsContact O-N 3.08Å; L267-I271 HydrophobicContact CD1-CD1 4.05Å; L267-I271 HydrophobicContact CD1-CG1 4.25Å; L267-I271 HydrophobicContact CG-CD1 3.86Å; L267-I271 HydrophobicContact CG-CG1 4.45Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 3.22Å
268	N	92.9	Very high	95.7	Very high	104 Å²	104	96.2 Å²	96.2	56%	0.556	46%	0.462	S	S	*	.	H	α-helix	trans	-61.5	-41.3	177.3	-71.5	-15.9	0	0	0	112.1	K264 E265 C270 I271 S272	K264-N268 WeakPolarHBondContact O-CB 3.21Å; K264-N268 VanDerWaalsContact O-CG 3.26Å; K264-N268 PolarHBondContact O-N 3.22Å; K264-N268 PolarHBondContact O-ND2 3.12Å; E265-N268 PolarHBondContact O-N 2.97Å; N268-C270 VanDerWaalsContact C-N 3.34Å; N268-I271 PolarHBondContact O-N 2.85Å; N268-S272 VanDerWaalsContact O-CB 3.28Å; N268-S272 WeakPolarHBondContact O-CB 3.36Å; N268-S272 PolarHBondContact O-N 3Å
269	K	95.3	Very high	95.7	Very high	135 Å²	135	93.5 Å²	93.5	59%	0.587	45%	0.452	S	S	*	.	H	α-helix	trans	-61.6	-41.3	172.4	-73.2	161.8	-177.2	157.7	0	111.4	E265 R266 L267 M273	E265-K269 WeakPolarHBondContact O-CB 3.44Å; E265-K269 WeakPolarHBondContact O-CD 3.31Å; E265-K269 VanDerWaalsContact O-CG 3.3Å; E265-K269 WeakPolarHBondContact O-CG 3.35Å; E265-K269 PolarHBondContact O-N 3.43Å; E265-K269 IonicContact OE2-NZ 2.83Å; E265-K269 PolarHBondContact OE2-NZ 3.33Å; R266-K269 PolarHBondContact O-N 3.45Å; L267-K269 PolarHBondContact O-N 2.94Å; K269-M273 PolarHBondContact O-N 3.39Å; K269-M273 VanDerWaalsContact O-N 3.07Å
270	C	94	Very high	95.7	Very high	67 Å²	67	94.4 Å²	94.4	45%	0.453	46%	0.455	S	S	.	.	H	α-helix	trans	-65	-49.3	175.9	-165.3	0	0	0	0	112.1	R266 L267 N268 S272 M273 S274	R266-C270 WeakPolarHBondContact O-CB 3.46Å; R266-C270 PolarHBondContact O-N 2.84Å; L267-C270 CarbonylContact O-C 3.6Å; L267-C270 WeakPolarHBondContact O-CA 3.38Å; L267-C270 WeakPolarHBondContact O-CB 3.4Å; L267-C270 PolarHBondContact O-N 3.2Å; L267-C270 VanDerWaalsContact O-N 3.08Å; N268-C270 VanDerWaalsContact C-N 3.34Å; C270-S272 VanDerWaalsContact C-N 3.32Å; C270-S272 PolarHBondContact O-N 2.8Å; C270-M273 PolarHBondContact O-N 3.48Å; C270-S274 PolarHBondContact O-N 3.36Å; C270-S274 PolarHBondContact O-OG 3.11Å
271	I	93.3	Very high	95.7	Very high	43 Å²	43	94.5 Å²	94.5	22%	0.221	45%	0.451	C	S	.	.	H	α-helix	trans	-58.9	-44.1	177.5	-69.6	170	0	0	0	110.4	L267 N268 M273 S274 K275 L476	L267-I271 HydrophobicContact CD1-CD1 4.05Å; L267-I271 HydrophobicContact CD1-CG1 4.25Å; L267-I271 HydrophobicContact CG-CD1 3.86Å; L267-I271 HydrophobicContact CG-CG1 4.45Å; L267-I271 WeakPolarHBondContact O-CG1 3.48Å; L267-I271 PolarHBondContact O-N 3.22Å; N268-I271 PolarHBondContact O-N 2.85Å; I271-M273 PolarHBondContact O-N 3.42Å; I271-S274 PolarHBondContact O-N 2.83Å; I271-K275 HydrophobicContact CG2-CG 4.48Å; I271-K275 WeakPolarHBondContact O-CG 3.32Å; I271-K275 PolarHBondContact O-N 2.73Å; I271-L476 HydrophobicContact CG2-CD2 4.34Å
272	S	94.8	Very high	95.7	Very high	77 Å²	77	90.2 Å²	90.2	54%	0.538	43%	0.431	S	S	.	.	H	α-helix	trans	-59.8	-44.3	176.4	-175.6	0	0	0	0	112.4	N268 C270 K275 K276	N268-S272 VanDerWaalsContact O-CB 3.28Å; N268-S272 WeakPolarHBondContact O-CB 3.36Å; N268-S272 PolarHBondContact O-N 3Å; C270-S272 VanDerWaalsContact C-N 3.32Å; C270-S272 PolarHBondContact O-N 2.8Å; S272-K275 PolarHBondContact O-N 2.79Å; S272-K276 PolarHBondContact O-N 3.03Å; S272-K276 VanDerWaalsContact O-N 3.08Å
273	M	95.5	Very high	95.7	Very high	110 Å²	110	86.1 Å²	86.1	54%	0.542	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-46	175.2	-170.7	62.8	71.8	0	0	111.9	K269 C270 I271 K275 K276 L277	K269-M273 PolarHBondContact O-N 3.39Å; K269-M273 VanDerWaalsContact O-N 3.07Å; C270-M273 PolarHBondContact O-N 3.48Å; I271-M273 PolarHBondContact O-N 3.42Å; M273-K275 VanDerWaalsContact C-N 3.35Å; M273-K275 PolarHBondContact O-N 2.95Å; M273-K276 PolarHBondContact O-N 3.46Å; M273-L277 HydrophobicContact CG-CD1 4.08Å; M273-L277 WeakPolarHBondContact O-CG 3.44Å; M273-L277 PolarHBondContact O-N 3.16Å
274	S	94.7	Very high	95.8	Very high	46 Å²	46	84.8 Å²	84.8	32%	0.322	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-43.3	176.5	-63.2	0	0	0	0	111.8	C270 I271 K276 L277 L278	C270-S274 PolarHBondContact O-N 3.36Å; C270-S274 PolarHBondContact O-OG 3.11Å; I271-S274 PolarHBondContact O-N 2.83Å; S274-K276 PolarHBondContact O-N 2.81Å; S274-L277 PolarHBondContact O-N 3.3Å; S274-L278 VanDerWaalsContact O-CB 3.32Å; S274-L278 WeakPolarHBondContact O-CB 3.35Å; S274-L278 WeakPolarHBondContact O-CD1 3.32Å; S274-L278 WeakPolarHBondContact O-CG 3.28Å; S274-L278 PolarHBondContact O-N 2.9Å
275	K	96.3	Very high	95.7	Very high	56 Å²	56	83.6 Å²	83.6	24%	0.243	41%	0.413	C	S	.	.	H	α-helix	trans	-55.4	-51.6	172.9	-75.5	-171.2	-178.1	-154.4	0	111	I271 S272 M273 L277 L278 I279 T451 L457 L476	I271-K275 HydrophobicContact CG2-CG 4.48Å; I271-K275 WeakPolarHBondContact O-CG 3.32Å; I271-K275 PolarHBondContact O-N 2.73Å; S272-K275 PolarHBondContact O-N 2.79Å; M273-K275 VanDerWaalsContact C-N 3.35Å; M273-K275 PolarHBondContact O-N 2.95Å; K275-L277 PolarHBondContact O-N 3.18Å; K275-L278 PolarHBondContact O-N 3.5Å; K275-I279 VanDerWaalsContact O-CG1 3.25Å; K275-I279 WeakPolarHBondContact O-CG1 3.34Å; K275-I279 PolarHBondContact O-N 3.23Å; K275-T451 PolarHBondContact NZ-OG1 2.83Å; K275-L457 HydrophobicContact CB-CD2 4.33Å; K275-L457 HydrophobicContact CG-CD2 4.25Å; K275-L476 HydrophobicContact CD-CD1 4.43Å; K275-L476 HydrophobicContact CG-CD1 4.41Å; K275-L476 HydrophobicContact CG-CD2 3.74Å
276	K	97	Very high	95.6	Very high	136 Å²	136	80 Å²	80	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-57.6	-49.4	-178.8	-173.3	-175.7	175.4	-172.2	0	111.8	S272 M273 S274 L278 I279 E280	S272-K276 PolarHBondContact O-N 3.03Å; S272-K276 VanDerWaalsContact O-N 3.08Å; M273-K276 PolarHBondContact O-N 3.46Å; S274-K276 PolarHBondContact O-N 2.81Å; K276-L278 PolarHBondContact O-N 2.85Å; K276-I279 PolarHBondContact O-N 2.82Å; K276-E280 WeakPolarHBondContact O-CB 3.25Å; K276-E280 PolarHBondContact O-N 3.36Å
277	L	97.4	Very high	95.6	Very high	96 Å²	96	76.3 Å²	76.3	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-36.8	-179.4	-66.5	172	0	0	0	112.6	M273 S274 K275 K281	M273-L277 HydrophobicContact CG-CD1 4.08Å; M273-L277 WeakPolarHBondContact O-CG 3.44Å; M273-L277 PolarHBondContact O-N 3.16Å; S274-L277 PolarHBondContact O-N 3.3Å; K275-L277 PolarHBondContact O-N 3.18Å; L277-K281 WeakPolarHBondContact O-CB 3.32Å; L277-K281 PolarHBondContact O-N 3.12Å
278	L	97.6	Very high	95.8	Very high	21 Å²	21	75.5 Å²	75.5	11%	0.11	39%	0.391	C	S	.	.	H	α-helix	trans	-68.1	-40.6	175.7	-74.6	166.8	0	0	0	112.3	S274 K275 K276 S282 L457 L459 F474 Y481	S274-L278 VanDerWaalsContact O-CB 3.32Å; S274-L278 WeakPolarHBondContact O-CB 3.35Å; S274-L278 WeakPolarHBondContact O-CD1 3.32Å; S274-L278 WeakPolarHBondContact O-CG 3.28Å; S274-L278 PolarHBondContact O-N 2.9Å; K275-L278 PolarHBondContact O-N 3.5Å; K276-L278 PolarHBondContact O-N 2.85Å; L278-S282 VanDerWaalsContact O-CB 3.22Å; L278-S282 WeakPolarHBondContact O-CB 3.3Å; L278-S282 PolarHBondContact O-N 2.94Å; L278-L457 HydrophobicContact CB-CD2 3.84Å; L278-L457 HydrophobicContact CD1-CD2 4.09Å; L278-L459 HydrophobicContact CB-CD2 4.1Å; L278-F474 HydrophobicContact CD1-CB 3.84Å; L278-F474 HydrophobicContact CD1-CD1 3.5Å; L278-F474 HydrophobicContact CD1-CD2 4.06Å; L278-F474 HydrophobicContact CD1-CE1 4Å; L278-F474 HydrophobicContact CD1-CG 3.52Å; L278-F474 HydrophobicContact CD1-CZ 4.47Å; L278-F474 HydrophobicContact CD2-CD2 4.28Å; L278-F474 HydrophobicContact CD2-CG 4.46Å; L278-Y481 HydrophobicContact CD2-CE1 4.32Å
279	I	97.8	Very high	95.8	Very high	57 Å²	57	72.6 Å²	72.6	29%	0.292	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-44.1	174.5	-67.7	166.4	0	0	0	110.3	K275 K276 S282 T283 H449 L457	K275-I279 VanDerWaalsContact O-CG1 3.25Å; K275-I279 WeakPolarHBondContact O-CG1 3.34Å; K275-I279 PolarHBondContact O-N 3.23Å; K276-I279 PolarHBondContact O-N 2.82Å; I279-S282 PolarHBondContact O-N 2.95Å; I279-T283 WeakPolarHBondContact O-CB 3.4Å; I279-T283 PolarHBondContact O-N 2.97Å; I279-T283 PolarHBondContact O-OG1 2.72Å; I279-H449 HydrophobicContact CD1-CB 4.31Å; I279-H449 HydrophobicContact CG1-CB 3.95Å; I279-L457 HydrophobicContact CD1-CD1 4.16Å; I279-L457 HydrophobicContact CG1-CD1 4.17Å; I279-L457 HydrophobicContact CG1-CD2 4.24Å
280	E	97.6	Very high	95.7	Very high	93 Å²	93	68.9 Å²	68.9	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-51.1	177.5	-177.1	172.3	-179.7	0	0	111.4	K276 S282 T283 Q284	K276-E280 WeakPolarHBondContact O-CB 3.25Å; K276-E280 PolarHBondContact O-N 3.36Å; E280-S282 PolarHBondContact O-N 3.08Å; E280-T283 PolarHBondContact O-N 3.42Å; E280-T283 VanDerWaalsContact O-N 3.15Å; E280-Q284 WeakPolarHBondContact O-CG 3.49Å; E280-Q284 PolarHBondContact O-N 3.33Å
281	K	96.9	Very high	95.8	Very high	101 Å²	101	70.9 Å²	70.9	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-56.8	-48.7	174.4	178.6	178.2	173.3	-179.3	0	111.7	L277 T283 Q284 E285	L277-K281 WeakPolarHBondContact O-CB 3.32Å; L277-K281 PolarHBondContact O-N 3.12Å; K281-T283 VanDerWaalsContact C-N 3.26Å; K281-T283 PolarHBondContact O-N 3.28Å; K281-Q284 PolarHBondContact O-N 2.59Å; K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 WeakPolarHBondContact O-CG 3.48Å; K281-E285 PolarHBondContact O-N 2.86Å
282	S	96.7	Very high	95.9	Very high	1 Å²	1	75 Å²	75	1%	0.007	38%	0.38	C	S	.	.	H	α-helix	trans	-62.3	-34.2	178.6	173.3	0	0	0	0	112.5	L278 I279 E280 K286 H449 L459	L278-S282 VanDerWaalsContact O-CB 3.22Å; L278-S282 WeakPolarHBondContact O-CB 3.3Å; L278-S282 PolarHBondContact O-N 2.94Å; I279-S282 PolarHBondContact O-N 2.95Å; E280-S282 PolarHBondContact O-N 3.08Å; S282-K286 WeakPolarHBondContact O-CB 3.41Å; S282-K286 VanDerWaalsContact O-CG 3.3Å; S282-K286 WeakPolarHBondContact O-CG 3.48Å; S282-K286 PolarHBondContact O-N 3.45Å; S282-H449 WeakPolarHBondContact CB-NE2 3.35Å; S282-H449 PolarHBondContact OG-NE2 3.24Å; S282-L459 VanDerWaalsContact OG-C 3.32Å; S282-L459 PolarHBondContact OG-O 2.9Å
283	T	96.7	Very high	95.8	Very high	56 Å²	56	71.9 Å²	71.9	34%	0.344	36%	0.358	S	S	.	.	H	α-helix	trans	-69.7	-40.3	175.8	-56.8	0	0	0	0	111.1	I279 E280 K281 K286 L287	I279-T283 WeakPolarHBondContact O-CB 3.4Å; I279-T283 PolarHBondContact O-N 2.97Å; I279-T283 PolarHBondContact O-OG1 2.72Å; E280-T283 PolarHBondContact O-N 3.42Å; E280-T283 VanDerWaalsContact O-N 3.15Å; K281-T283 VanDerWaalsContact C-N 3.26Å; K281-T283 PolarHBondContact O-N 3.28Å; T283-K286 PolarHBondContact O-N 2.83Å; T283-L287 HydrophobicContact CG2-CD1 4.36Å; T283-L287 WeakPolarHBondContact O-CG 3.32Å; T283-L287 PolarHBondContact O-N 3.11Å
284	Q	96.9	Very high	95.7	Very high	114 Å²	114	72.6 Å²	72.6	53%	0.533	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-43.7	173.1	-67.4	171.7	7.8	0	0	111.8	E280 K281 L287 S288	E280-Q284 WeakPolarHBondContact O-CG 3.49Å; E280-Q284 PolarHBondContact O-N 3.33Å; K281-Q284 PolarHBondContact O-N 2.59Å; Q284-L287 PolarHBondContact O-N 2.82Å; Q284-S288 PolarHBondContact O-N 2.9Å
285	E	94.7	Very high	95.7	Very high	66 Å²	66	76 Å²	76	31%	0.308	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-46.9	172.7	-71.3	171.7	179.7	0	0	111.5	K281 L287 S288 S289 H460	K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 WeakPolarHBondContact O-CG 3.48Å; K281-E285 PolarHBondContact O-N 2.86Å; E285-L287 VanDerWaalsContact C-N 3.31Å; E285-L287 PolarHBondContact O-N 2.65Å; E285-S288 PolarHBondContact O-N 3.21Å; E285-S289 PolarHBondContact O-N 3.03Å; E285-S289 PolarHBondContact O-OG 3.18Å; E285-H460 IonicContact OE2-CE1 3.38Å; E285-H460 PolarHBondContact OE2-CE1 2.83Å; E285-H460 IonicContact OE2-ND1 3.14Å; E285-H460 PolarHBondContact OE2-ND1 3.01Å
286	K	94	Very high	95.6	Very high	24 Å²	24	74 Å²	74	10%	0.104	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-36.7	176.5	-82.7	179.1	-175.9	173.6	0	112.9	S282 T283 R290 K447 H449 L459 H460	S282-K286 WeakPolarHBondContact O-CB 3.41Å; S282-K286 VanDerWaalsContact O-CG 3.3Å; S282-K286 WeakPolarHBondContact O-CG 3.48Å; S282-K286 PolarHBondContact O-N 3.45Å; T283-K286 PolarHBondContact O-N 2.83Å; K286-R290 WeakPolarHBondContact O-CD 3.43Å; K286-R290 VanDerWaalsContact O-CG 3.31Å; K286-R290 WeakPolarHBondContact O-CG 3.39Å; K286-R290 PolarHBondContact O-N 2.88Å; K286-R290 PolarHBondContact O-NH1 3.32Å; K286-K447 PolarHBondContact NZ-O 3.18Å; K286-H449 PolarHBondContact NZ-CE1 3.38Å; K286-H449 VanDerWaalsContact NZ-CE1 3.32Å; K286-H449 PolarHBondContact NZ-NE2 2.99Å; K286-L459 WeakPolarHBondContact CE-O 3.36Å; K286-L459 PolarHBondContact NZ-O 2.9Å; K286-H460 HydrophobicContact CG-CB 4.45Å
287	L	95.4	Very high	95.5	Very high	110 Å²	110	73.6 Å²	73.6	58%	0.576	36%	0.359	S	S	*	.	H	α-helix	trans	-72	-47.8	176.4	-74	168.6	0	0	0	111.5	T283 Q284 E285 S289 R290 E291	T283-L287 HydrophobicContact CG2-CD1 4.36Å; T283-L287 WeakPolarHBondContact O-CG 3.32Å; T283-L287 PolarHBondContact O-N 3.11Å; Q284-L287 PolarHBondContact O-N 2.82Å; E285-L287 VanDerWaalsContact C-N 3.31Å; E285-L287 PolarHBondContact O-N 2.65Å; L287-S289 PolarHBondContact O-N 3.12Å; L287-R290 PolarHBondContact O-N 2.95Å; L287-R290 VanDerWaalsContact O-N 3.11Å; L287-E291 PolarHBondContact O-N 3.42Å
288	S	95.9	Very high	95.3	Very high	73 Å²	73	75.1 Å²	75.1	51%	0.51	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-42.3	179.3	-173.6	0	0	0	0	112.3	Q284 E285 R290 E291 K292	Q284-S288 PolarHBondContact O-N 2.9Å; E285-S288 PolarHBondContact O-N 3.21Å; S288-R290 VanDerWaalsContact C-N 3.33Å; S288-R290 PolarHBondContact O-N 3.3Å; S288-E291 PolarHBondContact O-N 3.17Å; S288-K292 WeakPolarHBondContact O-CB 3.23Å; S288-K292 PolarHBondContact O-N 3.48Å
289	S	93.1	Very high	95.3	Very high	43 Å²	43	78.4 Å²	78.4	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-34.2	175.2	-66.3	0	0	0	0	113.2	E285 L287 S293	E285-S289 PolarHBondContact O-N 3.03Å; E285-S289 PolarHBondContact O-OG 3.18Å; L287-S289 PolarHBondContact O-N 3.12Å; S289-S293 WeakPolarHBondContact O-CB 3.48Å; S289-S293 PolarHBondContact O-N 3.25Å; S289-S293 PolarHBondContact O-OG 2.95Å
290	R	94	Very high	95.2	Very high	57 Å²	57	75.7 Å²	75.7	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-72.3	-41.9	174.8	-76.4	172.4	178.4	74.6	-3.4	111.6	K286 L287 S288 S293 M294 I438 E441 D442	K286-R290 WeakPolarHBondContact O-CD 3.43Å; K286-R290 VanDerWaalsContact O-CG 3.31Å; K286-R290 WeakPolarHBondContact O-CG 3.39Å; K286-R290 PolarHBondContact O-N 2.88Å; K286-R290 PolarHBondContact O-NH1 3.32Å; L287-R290 PolarHBondContact O-N 2.95Å; L287-R290 VanDerWaalsContact O-N 3.11Å; S288-R290 VanDerWaalsContact C-N 3.33Å; S288-R290 PolarHBondContact O-N 3.3Å; R290-S293 WeakPolarHBondContact O-CB 3.27Å; R290-S293 PolarHBondContact O-N 2.71Å; R290-M294 WeakPolarHBondContact O-CG 3.38Å; R290-M294 PolarHBondContact O-N 3.07Å; R290-I438 HydrophobicContact CG-CD1 4.1Å; R290-I438 HydrophobicContact CG-CG2 4.26Å; R290-E441 IonicContact CZ-OE2 2.64Å; R290-E441 IonicContact NH1-OE2 2.97Å; R290-E441 PolarHBondContact NH1-OE2 2.88Å; R290-E441 VanDerWaalsContact NH1-OE2 3.14Å; R290-E441 IonicContact NH2-OE2 2.74Å; R290-E441 PolarHBondContact NH2-OE2 2.78Å; R290-D442 IonicContact CZ-OD1 3.53Å; R290-D442 IonicContact NE-OD1 3.04Å; R290-D442 IonicContact NH2-OD1 2.77Å; R290-D442 PolarHBondContact NH2-OD1 3.12Å; R290-D442 IonicContact NH2-OD2 3.8Å
291	E	95.4	Very high	95.1	Very high	108 Å²	108	71.3 Å²	71.3	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-50.1	174.3	-173.5	-175.5	-179.1	0	0	111.6	L287 S288 S293 M294 Q295	L287-E291 PolarHBondContact O-N 3.42Å; S288-E291 PolarHBondContact O-N 3.17Å; E291-S293 VanDerWaalsContact C-N 3.26Å; E291-S293 PolarHBondContact O-N 3.36Å; E291-M294 WeakPolarHBondContact O-CB 3.38Å; E291-M294 PolarHBondContact O-N 3.28Å; E291-Q295 WeakPolarHBondContact O-CG 3.41Å; E291-Q295 PolarHBondContact O-N 2.96Å; E291-Q295 PolarHBondContact OE1-NE2 3.45Å
292	K	95	Very high	95	Very high	131 Å²	131	68.9 Å²	68.9	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-55.6	-42.9	174.1	-177.5	-179.4	177.1	-176.5	0	111.6	S288 M294 Q295 D296	S288-K292 WeakPolarHBondContact O-CB 3.23Å; S288-K292 PolarHBondContact O-N 3.48Å; K292-M294 VanDerWaalsContact C-N 3.32Å; K292-M294 PolarHBondContact O-N 3.26Å; K292-Q295 PolarHBondContact O-N 3.38Å; K292-D296 WeakPolarHBondContact O-CB 3.46Å; K292-D296 PolarHBondContact O-N 3.4Å
293	S	94.1	Very high	94.8	Very high	10 Å²	10	71.6 Å²	71.6	7%	0.07	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-34.3	176.4	-63	0	0	0	0	112.6	S289 R290 E291 R297 H431 I438	S289-S293 WeakPolarHBondContact O-CB 3.48Å; S289-S293 PolarHBondContact O-N 3.25Å; S289-S293 PolarHBondContact O-OG 2.95Å; R290-S293 WeakPolarHBondContact O-CB 3.27Å; R290-S293 PolarHBondContact O-N 2.71Å; E291-S293 VanDerWaalsContact C-N 3.26Å; E291-S293 PolarHBondContact O-N 3.36Å; S293-R297 WeakPolarHBondContact O-CB 3Å; S293-R297 PolarHBondContact O-N 2.98Å; S293-H431 PolarHBondContact O-CE1 3Å; S293-I438 WeakPolarHBondContact OG-CD1 2.96Å
294	M	92.8	Very high	94.5	Very high	125 Å²	125	71.3 Å²	71.3	62%	0.616	34%	0.344	S	S	*	.	H	α-helix	trans	-69.1	-37.1	172.9	-70.8	-171.6	-69.4	0	0	112.8	R290 E291 K292 R297	R290-M294 WeakPolarHBondContact O-CG 3.38Å; R290-M294 PolarHBondContact O-N 3.07Å; E291-M294 WeakPolarHBondContact O-CB 3.38Å; E291-M294 PolarHBondContact O-N 3.28Å; K292-M294 VanDerWaalsContact C-N 3.32Å; K292-M294 PolarHBondContact O-N 3.26Å; M294-R297 VanDerWaalsContact O-CB 3.27Å; M294-R297 WeakPolarHBondContact O-CB 3.2Å; M294-R297 PolarHBondContact O-N 3.01Å
295	Q	93.9	Very high	94.2	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-46.7	174.8	-64.3	174.8	10.5	0	0	111.3	E291 K292 R297 L298 R299	E291-Q295 WeakPolarHBondContact O-CG 3.41Å; E291-Q295 PolarHBondContact O-N 2.96Å; E291-Q295 PolarHBondContact OE1-NE2 3.45Å; K292-Q295 PolarHBondContact O-N 3.38Å; Q295-R297 PolarHBondContact O-N 3.01Å; Q295-L298 PolarHBondContact O-N 3.05Å; Q295-R299 PolarHBondContact O-N 3.46Å
296	D	95.2	Very high	93.9	Very high	16 Å²	16	69.2 Å²	69.2	9%	0.086	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-25.5	177	-83	-29.6	0	0	0	112.2	K292 L298 R299 L300 G301	K292-D296 WeakPolarHBondContact O-CB 3.46Å; K292-D296 PolarHBondContact O-N 3.4Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.32Å; D296-R299 PolarHBondContact O-N 3.29Å; D296-R299 IonicContact OD1-NH1 2.72Å; D296-L300 HydrophobicContact CB-CD1 3.82Å; D296-L300 HydrophobicContact CB-CG 4.25Å; D296-L300 WeakPolarHBondContact O-CA 3.21Å; D296-L300 WeakPolarHBondContact O-CB 3.49Å; D296-L300 PolarHBondContact O-N 3.43Å; D296-G301 PolarHBondContact O-N 3.48Å
297	R	94.5	Very high	93.8	Very high	127 Å²	127	76.4 Å²	76.4	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-55	-44.4	172.7	-164.4	-165.7	171.1	150.6	2.3	112.9	S293 M294 Q295 G301 H302 H431	S293-R297 WeakPolarHBondContact O-CB 3Å; S293-R297 PolarHBondContact O-N 2.98Å; M294-R297 VanDerWaalsContact O-CB 3.27Å; M294-R297 WeakPolarHBondContact O-CB 3.2Å; M294-R297 PolarHBondContact O-N 3.01Å; Q295-R297 PolarHBondContact O-N 3.01Å; R297-G301 CarbonylContact O-C 3.53Å; R297-G301 VanDerWaalsContact O-C 3.27Å; R297-G301 VanDerWaalsContact O-CA 3.31Å; R297-G301 WeakPolarHBondContact O-CA 3.43Å; R297-G301 PolarHBondContact O-N 3.04Å; R297-H302 HydrophobicContact CG-CB 3.58Å; R297-H431 PolarHBondContact N-NE2 3.44Å
298	L	93.5	Very high	93.3	Very high	127 Å²	127	76.4 Å²	76.4	67%	0.665	37%	0.367	S	S	*	.	H	α-helix	trans	-78.1	-34.8	179.9	-67.9	173.1	0	0	0	111.8	Q295 D296 G319 F320	Q295-L298 PolarHBondContact O-N 3.05Å; D296-L298 VanDerWaalsContact C-N 3.33Å; D296-L298 PolarHBondContact O-N 3.32Å; L298-G319 VanDerWaalsContact O-CA 3.27Å; L298-G319 WeakPolarHBondContact O-CA 3.45Å; L298-F320 VanDerWaalsContact O-CD1 3.26Å; L298-F320 WeakPolarHBondContact O-CD1 3.21Å; L298-F320 PolarHBondContact O-N 3.05Å
299	R	96.4	Very high	93	Very high	91 Å²	91	75.5 Å²	75.5	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-80.1	-49.2	-174.1	-178.7	-173.3	176.5	-159.2	6.7	113.2	Q295 D296 G319 F320 A321	Q295-R299 PolarHBondContact O-N 3.46Å; D296-R299 PolarHBondContact O-N 3.29Å; D296-R299 IonicContact OD1-NH1 2.72Å; R299-G319 CarbonylContact O-C 3.6Å; R299-G319 VanDerWaalsContact O-C 3.29Å; R299-G319 WeakPolarHBondContact O-CA 3.38Å; R299-F320 VanDerWaalsContact CA-CE1 3.47Å; R299-F320 HydrophobicContact CB-CD1 4.36Å; R299-F320 HydrophobicContact CB-CE1 3.7Å; R299-F320 HydrophobicContact CB-CZ 3.97Å; R299-F320 HydrophobicContact CG-CE1 4.08Å; R299-F320 HydrophobicContact CG-CE2 4.36Å; R299-F320 HydrophobicContact CG-CZ 3.81Å; R299-F320 PolarHBondContact O-N 2.97Å; R299-A321 HydrophobicContact CG-CB 4.03Å; R299-A321 WeakPolarHBondContact O-CB 3.31Å; R299-A321 PolarHBondContact O-N 2.86Å
300	L	96.6	Very high	92.8	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-35.6	-172.9	-53.7	177.6	0	0	0	111.4	D296 G319 F322 L424 V427 H431	D296-L300 HydrophobicContact CB-CD1 3.82Å; D296-L300 HydrophobicContact CB-CG 4.25Å; D296-L300 WeakPolarHBondContact O-CA 3.21Å; D296-L300 WeakPolarHBondContact O-CB 3.49Å; D296-L300 PolarHBondContact O-N 3.43Å; L300-G319 VanDerWaalsContact C-N 3.34Å; L300-G319 PolarHBondContact O-N 2.9Å; L300-F322 HydrophobicContact CB-CE2 4.45Å; L300-F322 HydrophobicContact CD2-CE2 4.45Å; L300-F322 VanDerWaalsContact O-CD2 3.31Å; L300-F322 WeakPolarHBondContact O-CD2 3.46Å; L300-F322 WeakPolarHBondContact O-CE2 3.29Å; L300-L424 HydrophobicContact CD2-CD2 3.95Å; L300-V427 HydrophobicContact CD1-CB 4.36Å; L300-V427 HydrophobicContact CD1-CG1 3.71Å; L300-V427 HydrophobicContact CD2-CG1 4.48Å; L300-H431 HydrophobicContact CD1-CB 3.78Å
301	G	95.5	Very high	92.4	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-177.3	177.9	0	0	0	0	0	113.4	D296 R297 W316 T317 G319	D296-G301 PolarHBondContact O-N 3.48Å; R297-G301 CarbonylContact O-C 3.53Å; R297-G301 VanDerWaalsContact O-C 3.27Å; R297-G301 VanDerWaalsContact O-CA 3.31Å; R297-G301 WeakPolarHBondContact O-CA 3.43Å; R297-G301 PolarHBondContact O-N 3.04Å; G301-W316 VanDerWaalsContact CA-CZ2 3.47Å; G301-W316 WeakPolarHBondContact O-CH2 3.36Å; G301-T317 CarbonylContact C-O 3.56Å; G301-T317 WeakPolarHBondContact CA-O 3.49Å; G301-G319 VanDerWaalsContact CA-N 3.3Å
302	H	94.5	Very high	92.1	Very high	50 Å²	50	80.1 Å²	80.1	23%	0.231	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.7	178.4	64.1	84.8	0	0	0	113.1	R297 T304 T317	R297-H302 HydrophobicContact CG-CB 3.58Å; H302-T304 PolarHBondContact CE1-OG1 3.46Å; H302-T304 PolarHBondContact ND1-OG1 2.83Å; H302-T317 PolarHBondContact N-O 3.41Å; H302-T317 PolarHBondContact O-N 2.91Å
303	F	92.6	Very high	91.8	Very high	58 Å²	58	76.7 Å²	76.7	25%	0.254	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139	166.1	-65.9	-77.1	0	0	0	110.5	E314 Q315 W316 I432	F303-E314 HydrophobicContact CB-CB 4.44Å; F303-E314 HydrophobicContact CD1-CB 4.14Å; F303-Q315 CarbonylContact C-O 3.48Å; F303-Q315 WeakPolarHBondContact CA-O 3.16Å; F303-W316 HydrophobicContact CD1-CE3 4.17Å; F303-W316 AromaticContact CD2-CE3 3.95Å; F303-W316 HydrophobicContact CD2-CE3 3.95Å; F303-W316 HydrophobicContact CD2-CZ3 4Å; F303-W316 HydrophobicContact CE1-CB 4.34Å; F303-W316 AromaticContact CE1-CE3 3.95Å; F303-W316 HydrophobicContact CE1-CE3 3.95Å; F303-W316 AromaticContact CE2-CE3 3.72Å; F303-W316 HydrophobicContact CE2-CE3 3.72Å; F303-W316 AromaticContact CE2-CZ3 3.78Å; F303-W316 HydrophobicContact CE2-CZ3 3.78Å; F303-W316 HydrophobicContact CG-CE3 4.16Å; F303-W316 AromaticContact CZ-CE3 3.72Å; F303-W316 HydrophobicContact CZ-CE3 3.72Å; F303-W316 HydrophobicContact CZ-CZ3 4.2Å; F303-I432 HydrophobicContact CE2-CG1 4.27Å; F303-I432 HydrophobicContact CE2-CG2 4.2Å; F303-I432 HydrophobicContact CZ-CG1 4.39Å; F303-I432 HydrophobicContact CZ-CG2 4.2Å
304	T	89.9	Confident	91.5	Very high	50 Å²	50	82.9 Å²	82.9	31%	0.307	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.9	173.5	-55	0	0	0	0	107.4	H302 V306 Q315 T317	H302-T304 PolarHBondContact CE1-OG1 3.46Å; H302-T304 PolarHBondContact ND1-OG1 2.83Å; T304-V306 PolarHBondContact O-N 3.1Å; T304-Q315 PolarHBondContact N-O 3.38Å; T304-Q315 PolarHBondContact O-N 2.93Å; T304-T317 PolarHBondContact OG1-OG1 2.86Å
305	T	90.3	Very high	91.5	Very high	93 Å²	93	82.1 Å²	82.1	57%	0.571	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.2	176	-45.2	0	0	0	0	109.4	F312	T305-F312 HydrophobicContact CG2-CB 3.79Å; T305-F312 HydrophobicContact CG2-CD1 3.9Å; T305-F312 HydrophobicContact CG2-CG 4.2Å
306	V	89.9	Confident	91.4	Very high	43 Å²	43	78.8 Å²	78.8	26%	0.261	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	179.3	-176.6	0	0	0	0	108.9	T304 F312 T313 Q315	T304-V306 PolarHBondContact O-N 3.1Å; V306-F312 WeakPolarHBondContact O-CA 3.39Å; V306-T313 PolarHBondContact N-O 3.22Å; V306-T313 PolarHBondContact O-N 3.45Å; V306-Q315 HydrophobicContact CG2-CB 3.95Å
307	R	90.8	Very high	91.4	Very high	176 Å²	176	80.9 Å²	80.9	66%	0.664	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.7	179.5	-174.6	-178.1	172.5	-166.1	-2.2	110.6	G309 F312	R307-G309 VanDerWaalsContact CZ-O 3.27Å; R307-G309 PolarHBondContact NE-O 3.29Å; R307-G309 PolarHBondContact NH2-O 3.39Å; R307-F312 HydrophobicContact CB-CD1 3.99Å; R307-F312 HydrophobicContact CB-CE1 3.88Å; R307-F312 HydrophobicContact CG-CD1 4.3Å; R307-F312 HydrophobicContact CG-CE1 4.03Å; R307-F312 HydrophobicContact CG-CZ 4.45Å
308	H	86.1	Confident	91.4	Very high	109 Å²	109	77.7 Å²	77.7	51%	0.505	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	86.8	172.8	-79	-99.7	0	0	0	109.8	A310 S311 T313	H308-A310 PolarHBondContact O-N 3.26Å; H308-A310 VanDerWaalsContact O-N 3.07Å; H308-S311 PolarHBondContact N-O 3.48Å; H308-S311 PolarHBondContact O-N 3.17Å; H308-S311 VanDerWaalsContact O-N 3.12Å; H308-S311 PolarHBondContact O-OG 3.15Å; H308-S311 VanDerWaalsContact O-OG 3.13Å; H308-T313 PolarHBondContact CD2-OG1 2.92Å
309	G	88.9	Confident	91.6	Very high	55 Å²	55	72 Å²	72	57%	0.567	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-106	-179	0	0	0	0	0	112.4	R307	R307-G309 VanDerWaalsContact CZ-O 3.27Å; R307-G309 PolarHBondContact NE-O 3.29Å; R307-G309 PolarHBondContact NH2-O 3.39Å
310	A	89.9	Confident	91.6	Very high	101 Å²	101	72.8 Å²	72.8	84%	0.835	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-16.7	176.8	0	0	0	0	0	113.6	H308	H308-A310 PolarHBondContact O-N 3.26Å; H308-A310 VanDerWaalsContact O-N 3.07Å
311	S	85.1	Confident	91.6	Very high	62 Å²	62	73.5 Å²	73.5	43%	0.434	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	163.7	-179.6	62.2	0	0	0	0	112.5	H308	H308-S311 PolarHBondContact N-O 3.48Å; H308-S311 PolarHBondContact O-N 3.17Å; H308-S311 VanDerWaalsContact O-N 3.12Å; H308-S311 PolarHBondContact O-OG 3.15Å; H308-S311 VanDerWaalsContact O-OG 3.13Å
312	F	87.7	Confident	91.6	Very high	142 Å²	142	73.8 Å²	73.8	62%	0.623	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	137	169.1	-67	-84.8	0	0	0	109.1	T305 V306 R307	T305-F312 HydrophobicContact CG2-CB 3.79Å; T305-F312 HydrophobicContact CG2-CD1 3.9Å; T305-F312 HydrophobicContact CG2-CG 4.2Å; V306-F312 WeakPolarHBondContact O-CA 3.39Å; R307-F312 HydrophobicContact CB-CD1 3.99Å; R307-F312 HydrophobicContact CB-CE1 3.88Å; R307-F312 HydrophobicContact CG-CD1 4.3Å; R307-F312 HydrophobicContact CG-CE1 4.03Å; R307-F312 HydrophobicContact CG-CZ 4.45Å
313	T	89.3	Confident	91.7	Very high	58 Å²	58	75.9 Å²	75.9	36%	0.356	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145	176.2	58.9	0	0	0	0	109.8	V306 H308	V306-T313 PolarHBondContact N-O 3.22Å; V306-T313 PolarHBondContact O-N 3.45Å; H308-T313 PolarHBondContact CD2-OG1 2.92Å
314	E	89	Confident	91.9	Very high	141 Å²	141	76.7 Å²	76.7	66%	0.659	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.1	173.3	-63.9	-169	132.4	0	0	110	F303	F303-E314 HydrophobicContact CB-CB 4.44Å; F303-E314 HydrophobicContact CD1-CB 4.14Å
315	Q	91	Very high	92.2	Very high	109 Å²	109	75 Å²	75	51%	0.509	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135	175.3	-169.4	176.5	6.9	0	0	110.4	F303 T304 V306	F303-Q315 CarbonylContact C-O 3.48Å; F303-Q315 WeakPolarHBondContact CA-O 3.16Å; T304-Q315 PolarHBondContact N-O 3.38Å; T304-Q315 PolarHBondContact O-N 2.93Å; V306-Q315 HydrophobicContact CG2-CB 3.95Å
316	W	93.3	Very high	92.5	Very high	47 Å²	47	74.1 Å²	74.1	18%	0.178	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.1	172.1	-175.3	-94.8	0	0	0	110.8	G301 F303 D318 R428 I432	G301-W316 VanDerWaalsContact CA-CZ2 3.47Å; G301-W316 WeakPolarHBondContact O-CH2 3.36Å; F303-W316 HydrophobicContact CD1-CE3 4.17Å; F303-W316 AromaticContact CD2-CE3 3.95Å; F303-W316 HydrophobicContact CD2-CE3 3.95Å; F303-W316 HydrophobicContact CD2-CZ3 4Å; F303-W316 HydrophobicContact CE1-CB 4.34Å; F303-W316 AromaticContact CE1-CE3 3.95Å; F303-W316 HydrophobicContact CE1-CE3 3.95Å; F303-W316 AromaticContact CE2-CE3 3.72Å; F303-W316 HydrophobicContact CE2-CE3 3.72Å; F303-W316 AromaticContact CE2-CZ3 3.78Å; F303-W316 HydrophobicContact CE2-CZ3 3.78Å; F303-W316 HydrophobicContact CG-CE3 4.16Å; F303-W316 AromaticContact CZ-CE3 3.72Å; F303-W316 HydrophobicContact CZ-CE3 3.72Å; F303-W316 HydrophobicContact CZ-CZ3 4.2Å; W316-D318 VanDerWaalsContact CD1-OD1 3.23Å; W316-D318 PolarHBondContact NE1-OD1 3.25Å; W316-R428 HydrophobicContact CH2-CG 4.25Å; W316-R428 HydrophobicContact CZ2-CG 3.58Å; W316-I432 HydrophobicContact CD2-CD1 4.29Å; W316-I432 HydrophobicContact CE3-CD1 3.94Å; W316-I432 HydrophobicContact CE3-CG1 3.97Å; W316-I432 HydrophobicContact CH2-CD1 4.11Å; W316-I432 HydrophobicContact CH2-CG1 3.69Å; W316-I432 HydrophobicContact CZ2-CD1 4.44Å; W316-I432 HydrophobicContact CZ2-CG1 4.46Å; W316-I432 HydrophobicContact CZ3-CD1 3.86Å; W316-I432 HydrophobicContact CZ3-CG1 3.41Å; W316-I432 VanDerWaalsContact CZ3-CG1 3.41Å
317	T	94.5	Very high	92.8	Very high	59 Å²	59	77.6 Å²	77.6	36%	0.362	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.1	176.3	-52.3	0	0	0	0	108.4	G301 H302 T304	G301-T317 CarbonylContact C-O 3.56Å; G301-T317 WeakPolarHBondContact CA-O 3.49Å; H302-T317 PolarHBondContact N-O 3.41Å; H302-T317 PolarHBondContact O-N 2.91Å; T304-T317 PolarHBondContact OG1-OG1 2.86Å
318	D	95.2	Very high	93.1	Very high	61 Å²	61	74 Å²	74	33%	0.326	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.1	-174.8	-85.9	-25.4	0	0	0	113.4	W316 F322 Q323 R428	W316-D318 VanDerWaalsContact CD1-OD1 3.23Å; W316-D318 PolarHBondContact NE1-OD1 3.25Å; D318-F322 HydrophobicContact CB-CB 3.87Å; D318-F322 HydrophobicContact CB-CG 4.41Å; D318-Q323 PolarHBondContact O-NE2 2.87Å; D318-R428 IonicContact OD1-NH1 3.33Å
319	G	96	Very high	93.6	Very high	6 Å²	6	70.8 Å²	70.8	6%	0.062	38%	0.384	C	S	.	.			trans	-79.8	177.6	178.4	0	0	0	0	0	114	L298 R299 L300 G301 A321 F322 Q323	L298-G319 VanDerWaalsContact O-CA 3.27Å; L298-G319 WeakPolarHBondContact O-CA 3.45Å; R299-G319 CarbonylContact O-C 3.6Å; R299-G319 VanDerWaalsContact O-C 3.29Å; R299-G319 WeakPolarHBondContact O-CA 3.38Å; L300-G319 VanDerWaalsContact C-N 3.34Å; L300-G319 PolarHBondContact O-N 2.9Å; G301-G319 VanDerWaalsContact CA-N 3.3Å; G319-A321 PolarHBondContact O-N 3.23Å; G319-A321 VanDerWaalsContact O-N 3.07Å; G319-F322 PolarHBondContact O-N 3.5Å; G319-Q323 WeakPolarHBondContact O-CG 3.48Å; G319-Q323 PolarHBondContact O-N 3.17Å
320	F	96.7	Very high	94	Very high	109 Å²	109	73.7 Å²	73.7	48%	0.478	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-28.2	-170.8	74.1	-104.7	0	0	0	114.1	L298 R299 N324	L298-F320 VanDerWaalsContact O-CD1 3.26Å; L298-F320 WeakPolarHBondContact O-CD1 3.21Å; L298-F320 PolarHBondContact O-N 3.05Å; R299-F320 VanDerWaalsContact CA-CE1 3.47Å; R299-F320 HydrophobicContact CB-CD1 4.36Å; R299-F320 HydrophobicContact CB-CE1 3.7Å; R299-F320 HydrophobicContact CB-CZ 3.97Å; R299-F320 HydrophobicContact CG-CE1 4.08Å; R299-F320 HydrophobicContact CG-CE2 4.36Å; R299-F320 HydrophobicContact CG-CZ 3.81Å; R299-F320 PolarHBondContact O-N 2.97Å; F320-N324 VanDerWaalsContact O-CB 3.32Å; F320-N324 WeakPolarHBondContact O-CB 3.28Å; F320-N324 PolarHBondContact O-N 3.04Å; F320-N324 PolarHBondContact O-ND2 2.91Å
321	A	96.9	Very high	94.3	Very high	15 Å²	15	75.6 Å²	75.6	12%	0.124	37%	0.369	C	S	.	.	H	α-helix	trans	-67.5	-44.3	-178.4	0	0	0	0	0	111.6	R299 G319 L325 L424	R299-A321 HydrophobicContact CG-CB 4.03Å; R299-A321 WeakPolarHBondContact O-CB 3.31Å; R299-A321 PolarHBondContact O-N 2.86Å; G319-A321 PolarHBondContact O-N 3.23Å; G319-A321 VanDerWaalsContact O-N 3.07Å; A321-L325 PolarHBondContact O-N 3.45Å; A321-L424 HydrophobicContact CB-CD1 3.74Å; A321-L424 HydrophobicContact CB-CD2 4Å
322	F	96.9	Very high	94.8	Very high	6 Å²	6	72.8 Å²	72.8	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-44.9	174.3	-73.8	-82.6	0	0	0	111.4	L300 D318 G319 N324 L325 V326 L421 L424 E425 R428	L300-F322 HydrophobicContact CB-CE2 4.45Å; L300-F322 HydrophobicContact CD2-CE2 4.45Å; L300-F322 VanDerWaalsContact O-CD2 3.31Å; L300-F322 WeakPolarHBondContact O-CD2 3.46Å; L300-F322 WeakPolarHBondContact O-CE2 3.29Å; D318-F322 HydrophobicContact CB-CB 3.87Å; D318-F322 HydrophobicContact CB-CG 4.41Å; G319-F322 PolarHBondContact O-N 3.5Å; F322-N324 PolarHBondContact O-N 3.33Å; F322-L325 PolarHBondContact O-N 3.26Å; F322-L325 VanDerWaalsContact O-N 3.12Å; F322-V326 WeakPolarHBondContact O-CG2 3.32Å; F322-V326 PolarHBondContact O-N 3.42Å; F322-L421 HydrophobicContact CD1-CD1 3.87Å; F322-L421 HydrophobicContact CE1-CD1 4.04Å; F322-L424 HydrophobicContact CD1-CB 4.41Å; F322-L424 HydrophobicContact CD1-CD1 4.46Å; F322-L424 HydrophobicContact CE1-CB 3.74Å; F322-L424 HydrophobicContact CE2-CB 4.09Å; F322-L424 HydrophobicContact CG-CD1 4.49Å; F322-L424 HydrophobicContact CZ-CB 3.57Å; F322-E425 HydrophobicContact CE1-CG 4.02Å; F322-E425 HydrophobicContact CZ-CG 4.44Å; F322-R428 HydrophobicContact CE2-CB 4.01Å; F322-R428 HydrophobicContact CE2-CG 4.31Å; F322-R428 HydrophobicContact CZ-CB 3.88Å; F322-R428 HydrophobicContact CZ-CG 4.36Å
323	Q	96.2	Very high	95.2	Very high	93 Å²	93	68.8 Å²	68.8	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-35.2	177.9	-64.4	177.9	19.8	0	0	112.7	D318 G319 K327	D318-Q323 PolarHBondContact O-NE2 2.87Å; G319-Q323 WeakPolarHBondContact O-CG 3.48Å; G319-Q323 PolarHBondContact O-N 3.17Å; Q323-K327 VanDerWaalsContact O-CG 3.32Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 3.34Å
324	N	96.8	Very high	95.6	Very high	76 Å²	76	70 Å²	70	41%	0.406	34%	0.336	S	S	.	.	H	α-helix	trans	-71.6	-39.8	176.2	-72.7	-11.9	0	0	0	112.2	F320 F322 K327 Q328	F320-N324 VanDerWaalsContact O-CB 3.32Å; F320-N324 WeakPolarHBondContact O-CB 3.28Å; F320-N324 PolarHBondContact O-N 3.04Å; F320-N324 PolarHBondContact O-ND2 2.91Å; F322-N324 PolarHBondContact O-N 3.33Å; N324-K327 PolarHBondContact O-N 3.44Å; N324-Q328 WeakPolarHBondContact O-CG 3.37Å; N324-Q328 PolarHBondContact O-N 2.79Å
325	L	96.1	Very high	96	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-41	172.8	-70.8	-171.3	0	0	0	112.2	A321 F322 K327 Q328 Q329 I417 E420 L421 L424	A321-L325 PolarHBondContact O-N 3.45Å; F322-L325 PolarHBondContact O-N 3.26Å; F322-L325 VanDerWaalsContact O-N 3.12Å; L325-K327 PolarHBondContact O-N 2.87Å; L325-Q328 PolarHBondContact O-N 3.08Å; L325-Q329 WeakPolarHBondContact O-CB 3.42Å; L325-Q329 PolarHBondContact O-N 3.22Å; L325-I417 HydrophobicContact CD2-CG2 4.45Å; L325-E420 HydrophobicContact CD1-CB 4.37Å; L325-E420 HydrophobicContact CD1-CG 4.07Å; L325-E420 HydrophobicContact CD2-CB 4.36Å; L325-E420 HydrophobicContact CD2-CG 3.96Å; L325-L421 HydrophobicContact CD1-CB 3.97Å; L325-L421 HydrophobicContact CD1-CD1 4.03Å; L325-L424 HydrophobicContact CD1-CD1 3.64Å; L325-L424 HydrophobicContact CG-CD1 4.19Å
326	V	96	Very high	96.3	Very high	75 Å²	75	64.5 Å²	64.5	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-47.5	176.6	172.8	0	0	0	0	110.5	F322 Q328 Q329 E330	F322-V326 WeakPolarHBondContact O-CG2 3.32Å; F322-V326 PolarHBondContact O-N 3.42Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 2.59Å; V326-Q329 PolarHBondContact O-N 3.01Å; V326-E330 HydrophobicContact CG1-CG 4.5Å; V326-E330 WeakPolarHBondContact O-CG 3.48Å; V326-E330 PolarHBondContact O-N 2.82Å
327	K	96.8	Very high	96.4	Very high	116 Å²	116	66.9 Å²	66.9	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-61.8	-37	175.4	-69.9	167.4	-172.4	167.8	0	113.1	Q323 N324 L325 W331	Q323-K327 VanDerWaalsContact O-CG 3.32Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 3.34Å; N324-K327 PolarHBondContact O-N 3.44Å; L325-K327 PolarHBondContact O-N 2.87Å; K327-W331 WeakPolarHBondContact O-CB 3.37Å; K327-W331 PolarHBondContact O-N 3.41Å
328	Q	96.2	Very high	96.5	Very high	101 Å²	101	66.6 Å²	66.6	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-44.5	174.6	-75.8	174.9	-11.9	0	0	111.3	N324 L325 V326 W331 V332 I417	N324-Q328 WeakPolarHBondContact O-CG 3.37Å; N324-Q328 PolarHBondContact O-N 2.79Å; L325-Q328 PolarHBondContact O-N 3.08Å; V326-Q328 VanDerWaalsContact C-N 3.33Å; V326-Q328 PolarHBondContact O-N 2.59Å; Q328-W331 PolarHBondContact O-N 3.21Å; Q328-V332 WeakPolarHBondContact O-CG2 3.35Å; Q328-V332 PolarHBondContact O-N 3.17Å; Q328-I417 HydrophobicContact CB-CD1 3.92Å; Q328-I417 HydrophobicContact CB-CG1 4.38Å
329	Q	96.6	Very high	96.5	Very high	40 Å²	40	64.1 Å²	64.1	19%	0.187	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-42.5	176.4	-173.2	65.2	53.7	0	0	111.6	L325 V326 W331 V332 N333 E414 I417	L325-Q329 WeakPolarHBondContact O-CB 3.42Å; L325-Q329 PolarHBondContact O-N 3.22Å; V326-Q329 PolarHBondContact O-N 3.01Å; Q329-W331 VanDerWaalsContact C-N 3.34Å; Q329-W331 PolarHBondContact O-N 3.07Å; Q329-V332 PolarHBondContact O-N 3.27Å; Q329-N333 PolarHBondContact NE2-OD1 3.28Å; Q329-N333 VanDerWaalsContact O-CB 3.29Å; Q329-N333 WeakPolarHBondContact O-CB 3.49Å; Q329-N333 PolarHBondContact O-N 3.49Å; Q329-N333 PolarHBondContact O-ND2 2.71Å; Q329-N333 PolarHBondContact O-OD1 3.15Å; Q329-E414 PolarHBondContact NE2-OE1 2.9Å; Q329-I417 HydrophobicContact CB-CG2 4.32Å
330	E	96.9	Very high	96.5	Very high	117 Å²	117	66.8 Å²	66.8	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-59.4	-42.4	173.2	-73.7	172.5	168.7	0	0	111.9	V326 N333 Q334	V326-E330 HydrophobicContact CG1-CG 4.5Å; V326-E330 WeakPolarHBondContact O-CG 3.48Å; V326-E330 PolarHBondContact O-N 2.82Å; E330-N333 WeakPolarHBondContact O-CB 3.27Å; E330-N333 PolarHBondContact O-N 3.21Å; E330-Q334 WeakPolarHBondContact O-CB 3.49Å; E330-Q334 PolarHBondContact O-N 3.02Å
331	W	96.6	Very high	96.4	Very high	141 Å²	141	67 Å²	67	53%	0.534	31%	0.312	S	S	.	.	H	α-helix	trans	-66.4	-46	177	-176.9	85.6	0	0	0	112.4	K327 Q328 Q329 N333 Q334 Q335 L410	K327-W331 WeakPolarHBondContact O-CB 3.37Å; K327-W331 PolarHBondContact O-N 3.41Å; Q328-W331 PolarHBondContact O-N 3.21Å; Q329-W331 VanDerWaalsContact C-N 3.34Å; Q329-W331 PolarHBondContact O-N 3.07Å; W331-N333 VanDerWaalsContact C-N 3.34Å; W331-N333 PolarHBondContact O-N 3.32Å; W331-Q334 PolarHBondContact O-N 3.34Å; W331-Q334 VanDerWaalsContact O-N 3.15Å; W331-Q335 HydrophobicContact CD2-CG 3.99Å; W331-Q335 HydrophobicContact CE3-CG 4.22Å; W331-Q335 HydrophobicContact CH2-CG 3.96Å; W331-Q335 HydrophobicContact CZ2-CG 3.7Å; W331-Q335 HydrophobicContact CZ3-CG 4.2Å; W331-Q335 WeakPolarHBondContact O-CG 3.44Å; W331-Q335 PolarHBondContact O-N 3.5Å; W331-L410 HydrophobicContact CZ3-CD2 4.48Å
332	V	96.8	Very high	96.3	Very high	3 Å²	3	70.3 Å²	70.3	2%	0.018	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-43.3	175.2	169.6	0	0	0	0	110.8	Q328 Q329 Q334 Q335 R336 L410 E413 E414 I417	Q328-V332 WeakPolarHBondContact O-CG2 3.35Å; Q328-V332 PolarHBondContact O-N 3.17Å; Q329-V332 PolarHBondContact O-N 3.27Å; V332-Q334 VanDerWaalsContact C-N 3.35Å; V332-Q334 PolarHBondContact O-N 3.22Å; V332-Q335 PolarHBondContact O-N 3.36Å; V332-R336 WeakPolarHBondContact O-CB 2.98Å; V332-R336 PolarHBondContact O-N 2.79Å; V332-L410 HydrophobicContact CG1-CB 4.27Å; V332-L410 HydrophobicContact CG1-CD2 4.31Å; V332-E413 HydrophobicContact CG2-CB 4.21Å; V332-E414 HydrophobicContact CG1-CB 4.34Å; V332-I417 HydrophobicContact CG2-CD1 3.87Å
333	N	96.2	Very high	96.2	Very high	58 Å²	58	74.4 Å²	74.4	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-56.8	-48.7	172.9	-71.5	-12.6	0	0	0	110.8	Q329 E330 W331 Q335 R336 E337	Q329-N333 PolarHBondContact NE2-OD1 3.28Å; Q329-N333 VanDerWaalsContact O-CB 3.29Å; Q329-N333 WeakPolarHBondContact O-CB 3.49Å; Q329-N333 PolarHBondContact O-N 3.49Å; Q329-N333 PolarHBondContact O-ND2 2.71Å; Q329-N333 PolarHBondContact O-OD1 3.15Å; E330-N333 WeakPolarHBondContact O-CB 3.27Å; E330-N333 PolarHBondContact O-N 3.21Å; W331-N333 VanDerWaalsContact C-N 3.34Å; W331-N333 PolarHBondContact O-N 3.32Å; N333-Q335 PolarHBondContact O-N 2.92Å; N333-R336 WeakPolarHBondContact O-CB 3.46Å; N333-R336 PolarHBondContact O-N 2.88Å; N333-R336 PolarHBondContact OD1-NH2 2.8Å; N333-E337 PolarHBondContact O-N 3.41Å
334	Q	97.3	Very high	96	Very high	83 Å²	83	76.1 Å²	76.1	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-65.9	-42.2	-177.1	-170.4	62.7	96.8	0	0	112.4	E330 W331 V332 R336 E337 D338	E330-Q334 WeakPolarHBondContact O-CB 3.49Å; E330-Q334 PolarHBondContact O-N 3.02Å; W331-Q334 PolarHBondContact O-N 3.34Å; W331-Q334 VanDerWaalsContact O-N 3.15Å; V332-Q334 VanDerWaalsContact C-N 3.35Å; V332-Q334 PolarHBondContact O-N 3.22Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.42Å; Q334-E337 PolarHBondContact NE2-OE2 3.02Å; Q334-E337 PolarHBondContact O-N 3.35Å; Q334-D338 PolarHBondContact O-N 3.32Å
335	Q	96.7	Very high	95.8	Very high	66 Å²	66	77.6 Å²	77.6	31%	0.308	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-39.4	175.6	-69.8	-54.2	-72.1	0	0	112.1	W331 V332 N333 D338 I339 L410	W331-Q335 HydrophobicContact CD2-CG 3.99Å; W331-Q335 HydrophobicContact CE3-CG 4.22Å; W331-Q335 HydrophobicContact CH2-CG 3.96Å; W331-Q335 HydrophobicContact CZ2-CG 3.7Å; W331-Q335 HydrophobicContact CZ3-CG 4.2Å; W331-Q335 WeakPolarHBondContact O-CG 3.44Å; W331-Q335 PolarHBondContact O-N 3.5Å; V332-Q335 PolarHBondContact O-N 3.36Å; N333-Q335 PolarHBondContact O-N 2.92Å; Q335-D338 PolarHBondContact O-N 3.25Å; Q335-I339 WeakPolarHBondContact O-CG1 3.47Å; Q335-I339 PolarHBondContact O-N 2.88Å; Q335-L410 HydrophobicContact CB-CD1 3.83Å; Q335-L410 HydrophobicContact CB-CD2 4.04Å
336	R	96.5	Very high	95.5	Very high	68 Å²	68	77.3 Å²	77.3	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-45	174.7	162.8	166.1	51.3	-150.9	1.1	111.7	V332 N333 Q334 I339 E340 L407 L410 E414	V332-R336 WeakPolarHBondContact O-CB 2.98Å; V332-R336 PolarHBondContact O-N 2.79Å; N333-R336 WeakPolarHBondContact O-CB 3.46Å; N333-R336 PolarHBondContact O-N 2.88Å; N333-R336 PolarHBondContact OD1-NH2 2.8Å; Q334-R336 VanDerWaalsContact C-N 3.34Å; Q334-R336 PolarHBondContact O-N 3.42Å; R336-I339 PolarHBondContact O-N 3.43Å; R336-E340 WeakPolarHBondContact O-CB 3.31Å; R336-E340 PolarHBondContact O-N 2.73Å; R336-L407 HydrophobicContact CG-CD2 4.29Å; R336-L410 HydrophobicContact CB-CD1 3.99Å; R336-E414 IonicContact CZ-OE1 3.59Å; R336-E414 IonicContact CZ-OE2 2.75Å; R336-E414 VanDerWaalsContact NH1-CD 3.27Å; R336-E414 IonicContact NH1-OE1 3.32Å; R336-E414 PolarHBondContact NH1-OE1 2.82Å; R336-E414 IonicContact NH1-OE2 2.64Å; R336-E414 PolarHBondContact NH1-OE2 2.9Å; R336-E414 IonicContact NH2-OE1 3.78Å; R336-E414 PolarHBondContact NH2-OE1 2.8Å; R336-E414 IonicContact NH2-OE2 2.85Å
337	E	96.3	Very high	95.2	Very high	97 Å²	97	76.5 Å²	76.5	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-42.1	174.1	-70.3	-177.3	-175.7	0	0	112.6	N333 Q334 E340 R341	N333-E337 PolarHBondContact O-N 3.41Å; Q334-E337 PolarHBondContact NE2-OE2 3.02Å; Q334-E337 PolarHBondContact O-N 3.35Å; E337-E340 PolarHBondContact O-N 3.14Å; E337-R341 WeakPolarHBondContact O-CB 3.2Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.25Å; E337-R341 IonicContact OE2-CZ 3.34Å; E337-R341 IonicContact OE2-NH1 3.77Å; E337-R341 PolarHBondContact OE2-NH1 3.29Å; E337-R341 IonicContact OE2-NH2 2.69Å
338	D	96.7	Very high	94.8	Very high	53 Å²	53	78.3 Å²	78.3	28%	0.283	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-43.3	178.4	-85	-40	0	0	0	112.1	Q334 Q335 E340 R341 Q342	Q334-D338 PolarHBondContact O-N 3.32Å; Q335-D338 PolarHBondContact O-N 3.25Å; D338-E340 VanDerWaalsContact C-N 3.32Å; D338-E340 PolarHBondContact O-N 3.21Å; D338-R341 VanDerWaalsContact CG-NH2 3.29Å; D338-R341 PolarHBondContact O-N 3.5Å; D338-R341 IonicContact OD1-CZ 3.7Å; D338-R341 IonicContact OD1-NE 2.85Å; D338-R341 PolarHBondContact OD1-NE 3.46Å; D338-R341 VanDerWaalsContact OD1-NE 3.16Å; D338-R341 IonicContact OD1-NH2 3.74Å; D338-R341 PolarHBondContact OD1-NH2 3.46Å; D338-R341 IonicContact OD2-NH2 3.15Å; D338-Q342 WeakPolarHBondContact O-CB 3.45Å; D338-Q342 VanDerWaalsContact O-CG 3.27Å; D338-Q342 WeakPolarHBondContact O-CG 3.42Å; D338-Q342 PolarHBondContact O-N 3.03Å
339	I	95.4	Very high	94.3	Very high	9 Å²	9	77.4 Å²	77.4	5%	0.046	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-42.3	173.8	-67.8	161.5	0	0	0	110.3	Q335 R336 R341 Q342 R343 F403 R406 L407 L410	Q335-I339 WeakPolarHBondContact O-CG1 3.47Å; Q335-I339 PolarHBondContact O-N 2.88Å; R336-I339 PolarHBondContact O-N 3.43Å; I339-R341 PolarHBondContact O-N 3.24Å; I339-Q342 CarbonylContact O-C 3.55Å; I339-Q342 PolarHBondContact O-N 2.99Å; I339-R343 HydrophobicContact CG2-CG 4.24Å; I339-R343 VanDerWaalsContact O-CG 3.3Å; I339-R343 WeakPolarHBondContact O-CG 3.26Å; I339-R343 PolarHBondContact O-N 3.47Å; I339-F403 HydrophobicContact CG2-CB 3.92Å; I339-F403 HydrophobicContact CG2-CD1 3.89Å; I339-F403 HydrophobicContact CG2-CG 4.17Å; I339-R406 HydrophobicContact CD1-CB 3.66Å; I339-L407 HydrophobicContact CG2-CD1 3.96Å; I339-L407 HydrophobicContact CG2-CD2 4.5Å; I339-L407 HydrophobicContact CG2-CG 3.88Å; I339-L410 HydrophobicContact CD1-CD1 3.63Å
340	E	94.8	Very high	93.9	Very high	63 Å²	63	80.3 Å²	80.3	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-69.1	-34.1	178.9	-171.7	52.5	-148.6	0	0	112.5	R336 E337 D338 R343 K344	R336-E340 WeakPolarHBondContact O-CB 3.31Å; R336-E340 PolarHBondContact O-N 2.73Å; E337-E340 PolarHBondContact O-N 3.14Å; D338-E340 VanDerWaalsContact C-N 3.32Å; D338-E340 PolarHBondContact O-N 3.21Å; E340-R343 IonicContact OE2-CZ 3.77Å; E340-R343 IonicContact OE2-NH1 2.76Å; E340-R343 PolarHBondContact OE2-NH1 2.91Å; E340-K344 WeakPolarHBondContact O-CB 3.42Å; E340-K344 VanDerWaalsContact O-CG 3.3Å; E340-K344 WeakPolarHBondContact O-CG 3.46Å; E340-K344 PolarHBondContact O-N 3.34Å; E340-K344 VanDerWaalsContact OE1-CE 3.27Å; E340-K344 WeakPolarHBondContact OE1-CE 3.2Å
341	R	96	Very high	93.1	Very high	113 Å²	113	75.5 Å²	75.5	43%	0.426	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-44.9	167.6	-74.2	-174	-75.8	-102.8	12.7	111.2	E337 D338 I339 K344 L345	E337-R341 WeakPolarHBondContact O-CB 3.2Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.25Å; E337-R341 IonicContact OE2-CZ 3.34Å; E337-R341 IonicContact OE2-NH1 3.77Å; E337-R341 PolarHBondContact OE2-NH1 3.29Å; E337-R341 IonicContact OE2-NH2 2.69Å; D338-R341 VanDerWaalsContact CG-NH2 3.29Å; D338-R341 PolarHBondContact O-N 3.5Å; D338-R341 IonicContact OD1-CZ 3.7Å; D338-R341 IonicContact OD1-NE 2.85Å; D338-R341 PolarHBondContact OD1-NE 3.46Å; D338-R341 VanDerWaalsContact OD1-NE 3.16Å; D338-R341 IonicContact OD1-NH2 3.74Å; D338-R341 PolarHBondContact OD1-NH2 3.46Å; D338-R341 IonicContact OD2-NH2 3.15Å; I339-R341 PolarHBondContact O-N 3.24Å; R341-K344 PolarHBondContact O-N 3.23Å; R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.8Å; R341-L345 VanDerWaalsContact O-N 3.1Å
342	Q	94.4	Very high	92.1	Very high	84 Å²	84	74 Å²	74	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-40.5	177.8	-72.7	173.2	-1.6	0	0	112.4	D338 I339 K344 L345 L346 F403	D338-Q342 WeakPolarHBondContact O-CB 3.45Å; D338-Q342 VanDerWaalsContact O-CG 3.27Å; D338-Q342 WeakPolarHBondContact O-CG 3.42Å; D338-Q342 PolarHBondContact O-N 3.03Å; I339-Q342 CarbonylContact O-C 3.55Å; I339-Q342 PolarHBondContact O-N 2.99Å; Q342-K344 PolarHBondContact O-N 3.08Å; Q342-L345 CarbonylContact O-C 3.59Å; Q342-L345 PolarHBondContact O-N 3.39Å; Q342-L345 VanDerWaalsContact O-N 3.14Å; Q342-L346 WeakPolarHBondContact O-CB 3.47Å; Q342-L346 PolarHBondContact O-N 2.98Å; Q342-F403 HydrophobicContact CB-CE1 3.87Å; Q342-F403 HydrophobicContact CB-CE2 4.32Å; Q342-F403 HydrophobicContact CB-CZ 3.67Å; Q342-F403 VanDerWaalsContact OE1-CE1 3.23Å
343	R	94.5	Very high	90.7	Very high	93 Å²	93	78.1 Å²	78.1	35%	0.351	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-41.7	173.6	-71.4	176.2	79	-137.8	4.7	112.1	I339 E340 L345 L346 A347 F403	I339-R343 HydrophobicContact CG2-CG 4.24Å; I339-R343 VanDerWaalsContact O-CG 3.3Å; I339-R343 WeakPolarHBondContact O-CG 3.26Å; I339-R343 PolarHBondContact O-N 3.47Å; E340-R343 IonicContact OE2-CZ 3.77Å; E340-R343 IonicContact OE2-NH1 2.76Å; E340-R343 PolarHBondContact OE2-NH1 2.91Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.4Å; R343-L346 PolarHBondContact O-N 3.17Å; R343-A347 WeakPolarHBondContact O-CB 3.29Å; R343-A347 PolarHBondContact O-N 3.24Å; R343-F403 HydrophobicContact CG-CB 3.68Å; R343-F403 HydrophobicContact CG-CD2 3.65Å; R343-F403 HydrophobicContact CG-CE2 4.47Å; R343-F403 HydrophobicContact CG-CG 3.77Å
344	K	92.9	Very high	88.5	Confident	129 Å²	129	80.1 Å²	80.1	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-64	-30.2	173.6	-73.3	169.3	-177.2	172.4	0	113	E340 R341 Q342	E340-K344 WeakPolarHBondContact O-CB 3.42Å; E340-K344 VanDerWaalsContact O-CG 3.3Å; E340-K344 WeakPolarHBondContact O-CG 3.46Å; E340-K344 PolarHBondContact O-N 3.34Å; E340-K344 VanDerWaalsContact OE1-CE 3.27Å; E340-K344 WeakPolarHBondContact OE1-CE 3.2Å; R341-K344 PolarHBondContact O-N 3.23Å; Q342-K344 PolarHBondContact O-N 3.08Å
345	L	91.9	Very high	86	Confident	107 Å²	107	83.5 Å²	83.5	56%	0.56	42%	0.423	S	S	*	.	H	α-helix	trans	-77.4	-41.1	172	-69.2	172.4	0	0	0	112.2	R341 Q342 R343 A347 K348	R341-L345 WeakPolarHBondContact O-CG 3.48Å; R341-L345 PolarHBondContact O-N 2.8Å; R341-L345 VanDerWaalsContact O-N 3.1Å; Q342-L345 CarbonylContact O-C 3.59Å; Q342-L345 PolarHBondContact O-N 3.39Å; Q342-L345 VanDerWaalsContact O-N 3.14Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.4Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 2.89Å; L345-K348 WeakPolarHBondContact O-CB 3.36Å; L345-K348 PolarHBondContact O-N 3.26Å; L345-K348 VanDerWaalsContact O-N 3.12Å
346	L	90.6	Very high	83.3	Confident	8 Å²	8	87.5 Å²	87.5	4%	0.042	45%	0.447	C	S	.	.	H	α-helix	trans	-58.5	-43.1	174.4	174.8	61.1	0	0	0	111.3	Q342 R343 K348 R349 K350 L391 Y396 Q399 E400 F403	Q342-L346 WeakPolarHBondContact O-CB 3.47Å; Q342-L346 PolarHBondContact O-N 2.98Å; R343-L346 PolarHBondContact O-N 3.17Å; L346-K348 PolarHBondContact O-N 3.47Å; L346-R349 CarbonylContact O-C 3.6Å; L346-R349 WeakPolarHBondContact O-CA 3.44Å; L346-R349 PolarHBondContact O-N 3.36Å; L346-K350 PolarHBondContact O-N 3.2Å; L346-L391 HydrophobicContact CD1-CD1 3.48Å; L346-L391 VanDerWaalsContact CD1-CD1 3.48Å; L346-Y396 HydrophobicContact CD1-CD2 3.55Å; L346-Y396 HydrophobicContact CD1-CE2 3.87Å; L346-Y396 HydrophobicContact CD1-CG 4.39Å; L346-Y396 HydrophobicContact CD2-CE2 4.29Å; L346-Y396 HydrophobicContact CG-CD2 3.88Å; L346-Y396 HydrophobicContact CG-CE2 3.65Å; L346-Q399 HydrophobicContact CD1-CB 4.12Å; L346-Q399 HydrophobicContact CD2-CB 3.77Å; L346-E400 HydrophobicContact CD2-CB 4.27Å; L346-F403 HydrophobicContact CB-CE2 4.19Å; L346-F403 HydrophobicContact CD2-CD2 3.82Å; L346-F403 HydrophobicContact CD2-CE2 3.74Å
347	A	89	Confident	80.3	Confident	57 Å²	57	90 Å²	90	47%	0.471	48%	0.475	S	S	.	.	H	α-helix	trans	-56.7	-31.9	176.4	0	0	0	0	0	113.1	R343 L345 R349 K350	R343-A347 WeakPolarHBondContact O-CB 3.29Å; R343-A347 PolarHBondContact O-N 3.24Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 2.89Å; A347-R349 VanDerWaalsContact C-N 3.29Å; A347-R349 PolarHBondContact O-N 3.43Å; A347-K350 WeakPolarHBondContact O-CB 3.4Å
348	K	89	Confident	77.5	Confident	154 Å²	154	94.3 Å²	94.3	67%	0.67	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.9	174.5	-62.8	177.3	-178	-176.4	0	113.8	L345 L346	L345-K348 WeakPolarHBondContact O-CB 3.36Å; L345-K348 PolarHBondContact O-N 3.26Å; L345-K348 VanDerWaalsContact O-N 3.12Å; L346-K348 PolarHBondContact O-N 3.47Å
349	R	86	Confident	74.6	Confident	82 Å²	82	96.2 Å²	96.2	31%	0.309	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	4.2	178.6	-60.2	-176.1	70.5	176.9	-2.5	113	L346 A347 P388 Q389 L391	L346-R349 CarbonylContact O-C 3.6Å; L346-R349 WeakPolarHBondContact O-CA 3.44Å; L346-R349 PolarHBondContact O-N 3.36Å; A347-R349 VanDerWaalsContact C-N 3.29Å; A347-R349 PolarHBondContact O-N 3.43Å; R349-P388 HydrophobicContact CG-CB 3.78Å; R349-Q389 VanDerWaalsContact CZ-O 3.28Å; R349-Q389 PolarHBondContact NE-O 2.82Å; R349-Q389 PolarHBondContact NH2-O 3.26Å; R349-L391 HydrophobicContact CB-CD1 4.21Å; R349-L391 HydrophobicContact CB-CG 4.36Å; R349-L391 PolarHBondContact O-N 3.01Å
350	K	87	Confident	72	Confident	101 Å²	101	101.7 Å²	101.7	44%	0.439	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-60.3	123.5	-178.8	-171.2	170.9	-175.2	169	0	110.2	L346 A347 Y396	L346-K350 PolarHBondContact O-N 3.2Å; A347-K350 WeakPolarHBondContact O-CB 3.4Å; K350-Y396 HydrophobicContact CB-CD2 3.9Å; K350-Y396 HydrophobicContact CB-CE2 3.52Å; K350-Y396 HydrophobicContact CD-CE1 4.27Å; K350-Y396 HydrophobicContact CD-CE2 4.06Å; K350-Y396 HydrophobicContact CG-CD2 3.99Å; K350-Y396 HydrophobicContact CG-CE1 4.29Å; K350-Y396 HydrophobicContact CG-CE2 3.66Å; K350-Y396 HydrophobicContact CG-CG 4.42Å
351	P	81.2	Confident	69.1	Low	17 Å²	17	103.3 Å²	103.3	11%	0.11	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-62	148.3	176.5	21.9	-30.4	0	0	0	111.1	T353 L391 L393	P351-T353 PolarHBondContact O-N 2.91Å; P351-T353 VanDerWaalsContact O-N 3.17Å; P351-L391 VanDerWaalsContact CB-O 3.3Å; P351-L391 WeakPolarHBondContact CB-O 3.47Å; P351-L391 WeakPolarHBondContact CD-O 3.39Å; P351-L391 VanDerWaalsContact CG-O 3.31Å; P351-L391 WeakPolarHBondContact CG-O 3.26Å; P351-L393 HydrophobicContact CG-CB 4.25Å; P351-L393 HydrophobicContact CG-CD1 4.15Å
352	P	75.5	Confident	66.4	Low	110 Å²	110	104.7 Å²	104.7	71%	0.714	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-60.3	121.4	171.2	26	-33.2	0	0	0	108.9	A354	P352-A354 PolarHBondContact O-N 2.97Å; P352-A354 VanDerWaalsContact O-N 3.1Å
353	T	65.7	Low	63.7	Low	89 Å²	89	108.5 Å²	108.5	55%	0.546	62%	0.622	S	S	.	*			trans	-64.7	112.8	175.1	46.3	0	0	0	0	109	P351 N355	P351-T353 PolarHBondContact O-N 2.91Å; P351-T353 VanDerWaalsContact O-N 3.17Å; T353-N355 PolarHBondContact O-N 3.04Å
354	A	50.8	Low	61.1	Low	100 Å²	100	109.3 Å²	109.3	83%	0.826	64%	0.642	S	S	*	*	S	Bend	trans	-71	65	171.4	0	0	0	0	0	110.6	P352	P352-A354 PolarHBondContact O-N 2.97Å; P352-A354 VanDerWaalsContact O-N 3.1Å
355	N	44.2	Very low	58.5	Low	153 Å²	153	112.2 Å²	112.2	82%	0.818	66%	0.658	S	S	*	*			trans	-165.2	43.3	175.1	-104.9	-12.8	0	0	0	111.3	T353	T353-N355 PolarHBondContact O-N 3.04Å
356	N	40	Very low	56.1	Low	151 Å²	151	111.7 Å²	111.7	81%	0.807	66%	0.661	S	S	*	*			trans	-125.7	31.7	165.8	-129.6	16	0	0	0	111.9
357	S	34.5	Very low	53.6	Low	121 Å²	121	121.4 Å²	121.4	85%	0.846	70%	0.703	S	S	*	*			trans	-100.6	45.8	175.3	-58	0	0	0	0	111.6
358	Q	38.1	Very low	51	Low	186 Å²	186	127.2 Å²	127.2	87%	0.869	72%	0.72	S	S	*	*			trans	-135	73.8	162.8	-77	-165	-7.5	0	0	109.8
359	A	34.9	Very low	48.4	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	73%	0.733	S	S	*	*			trans	-103.4	108	160	0	0	0	0	0	108
360	P	41.8	Very low	46	Very low	123 Å²	123	136.6 Å²	136.6	80%	0.799	76%	0.757	S	S	*	*			trans	-75.4	126.5	168.3	29.3	-29.1	0	0	0	109.1
361	A	33.1	Very low	43.6	Very low	97 Å²	97	139.3 Å²	139.3	80%	0.802	78%	0.776	S	S	*	*			trans	-82.5	132.6	178.5	0	0	0	0	0	111.5
362	T	39.4	Very low	41.6	Very low	142 Å²	142	147.4 Å²	147.4	87%	0.871	81%	0.809	S	S	*	*			trans	-136.7	130	159	52.9	0	0	0	0	110.4
363	N	37.9	Very low	39.6	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	81%	0.811	S	S	*	*			trans	-71.3	147.5	-174.5	-70.3	-39.8	0	0	0	114
364	S	39.5	Very low	38.3	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	82%	0.824	S	S	*	*				-172.4	98.4	123.6	59.6	0	0	0	0	114
365	E	39.3	Very low	37.5	Very low	189 Å²	189	151.8 Å²	151.8	88%	0.883	83%	0.827	S	S	*	*			trans	59.3	156.9	138.5	-74.5	-109.8	104	0	0	123.6
366	P	40.2	Very low	37.1	Very low	97 Å²	97	147.7 Å²	147.7	63%	0.63	82%	0.821	S	S	*	*			trans	-126.4	170	-150	42.5	-28.6	0	0	0	116.2
367	K	38.5	Very low	36.9	Very low	212 Å²	212	145.2 Å²	145.2	92%	0.922	82%	0.821	S	S	*	*			trans	-136.7	128.7	154.8	-80.4	-171.4	177.8	170.7	0	113.1
368	Q	33.8	Very low	37.1	Very low	178 Å²	178	147.5 Å²	147.5	83%	0.832	82%	0.819	S	S	*	*			trans	-82.9	150.2	175.2	-56.8	171.6	-4.6	0	0	111.6
369	R	35.9	Very low	37.1	Very low	246 Å²	246	145.8 Å²	145.8	93%	0.928	82%	0.815	S	S	*	*				-169.3	124.5	119.9	-107.3	172.2	-178.2	-173	-0.2	115.4
370	K	34.9	Very low	37.6	Very low	188 Å²	188	147.7 Å²	147.7	82%	0.817	81%	0.813	S	S	*	*			trans	-18	136.8	160.3	-60.2	173.2	175.6	-179.4	0	118.8
371	N	37.3	Very low	37.9	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	81%	0.813	S	S	*	*				171.4	147.4	119.3	-87.1	-16.4	0	0	0	109.1
372	K	37.9	Very low	38.6	Very low	187 Å²	187	151 Å²	151	81%	0.813	81%	0.809	S	S	*	*			cis	-162.6	138.2	-14.2	179.1	-179.2	-178.5	-175.5	0	106
373	A	34.2	Very low	39	Very low	90 Å²	90	150.1 Å²	150.1	74%	0.744	80%	0.804	S	S	*	*			trans	-90.7	145.6	178.3	0	0	0	0	0	112.3
374	V	38.3	Very low	39.8	Very low	135 Å²	135	152.8 Å²	152.8	82%	0.818	80%	0.801	S	S	*	*			trans	-144.1	133.7	156.3	176.6	0	0	0	0	107.8
375	N	34.1	Very low	40.3	Very low	166 Å²	166	152.9 Å²	152.9	89%	0.888	80%	0.799	S	S	*	*			trans	-100.5	153.5	175.7	-78.7	-20.1	0	0	0	111.5
376	G	36.1	Very low	41	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	80%	0.797	S	S	*	*			trans	161.9	108.5	168.6	0	0	0	0	0	108
377	A	36.1	Very low	41.9	Very low	99 Å²	99	154.3 Å²	154.3	82%	0.818	81%	0.807	S	S	*	*				60.7	116	77.4	0	0	0	0	0	110.8
378	E	38.6	Very low	43.1	Very low	168 Å²	168	147.6 Å²	147.6	79%	0.785	79%	0.785	S	S	*	*			cis	-149.1	171.7	10.9	-58.1	-171.8	143.1	0	0	112.5
379	N	36.3	Very low	44.9	Very low	150 Å²	150	146.3 Å²	146.3	80%	0.802	78%	0.779	S	S	*	*			trans	41.4	93.9	148.8	-64.4	-39.3	0	0	0	119.6
380	D	46	Very low	46.9	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	76%	0.759	S	S	*	*			trans	-128.6	115.2	157.6	-170.6	-0.8	0	0	0	109.8	F382	D380-F382 PolarHBondContact O-N 2.94Å
381	P	48.6	Very low	49.2	Very low	124 Å²	124	131.1 Å²	131.1	81%	0.805	72%	0.724	S	S	*	*			trans	-81	46.1	-177.3	35.6	-36.7	0	0	0	112.4	V383	P381-V383 PolarHBondContact O-N 3.45Å
382	F	48.5	Very low	51.5	Low	165 Å²	165	127.3 Å²	127.3	72%	0.724	71%	0.707	S	S	*	*			trans	-86.2	98.9	175.9	-150.4	-90.4	0	0	0	110.8	D380 R384	D380-F382 PolarHBondContact O-N 2.94Å; F382-R384 PolarHBondContact O-N 2.93Å
383	V	47.4	Very low	53.9	Low	124 Å²	124	122.8 Å²	122.8	75%	0.752	69%	0.691	S	S	*	*			trans	-53.4	111.7	174.8	176.7	0	0	0	0	109.3	P381	P381-V383 PolarHBondContact O-N 3.45Å
384	R	53.9	Low	56.6	Low	220 Å²	220	122 Å²	122	83%	0.83	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.8	129	170	-70.5	-175.3	-179	-178	1.6	107.9	F382 N386	F382-R384 PolarHBondContact O-N 2.93Å; R384-N386 PolarHBondContact O-N 3.03Å
385	P	51.1	Low	59	Low	112 Å²	112	119.5 Å²	119.5	73%	0.727	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-54.5	127.6	173.2	-23.6	33	0	0	0	109.1	L387	P385-L387 PolarHBondContact O-N 3.2Å; P385-L387 VanDerWaalsContact O-N 3.17Å
386	N	52.5	Low	61.7	Low	158 Å²	158	112.2 Å²	112.2	85%	0.845	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-49.6	125.9	178.8	-84.5	-23.8	0	0	0	109.4	R384	R384-N386 PolarHBondContact O-N 3.03Å
387	L	59.6	Low	64.3	Low	158 Å²	158	113.6 Å²	113.6	83%	0.827	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.7	173.4	-121.9	78.5	0	0	0	107.9	P385 Q389	P385-L387 PolarHBondContact O-N 3.2Å; P385-L387 VanDerWaalsContact O-N 3.17Å; L387-Q389 PolarHBondContact O-N 3.34Å; L387-Q389 VanDerWaalsContact O-N 3.08Å
388	P	63.7	Low	67.1	Low	72 Å²	72	114.7 Å²	114.7	47%	0.468	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-56.2	120.8	178.3	-25.3	34.5	0	0	0	110	R349 L390	R349-P388 HydrophobicContact CG-CB 3.78Å; P388-L390 PolarHBondContact O-N 3.02Å
389	Q	70.9	Confident	69.7	Low	151 Å²	151	109.7 Å²	109.7	71%	0.706	58%	0.577	S	S	*	*			trans	-53.5	115.1	179.2	-171.5	73.2	9.7	0	0	108.9	R349 L387 L391	R349-Q389 VanDerWaalsContact CZ-O 3.28Å; R349-Q389 PolarHBondContact NE-O 2.82Å; R349-Q389 PolarHBondContact NH2-O 3.26Å; L387-Q389 PolarHBondContact O-N 3.34Å; L387-Q389 VanDerWaalsContact O-N 3.08Å; Q389-L391 PolarHBondContact O-N 3.09Å
390	L	78.4	Confident	72.4	Confident	98 Å²	98	105.7 Å²	105.7	51%	0.513	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-60.4	135.8	177.8	-68.2	174.1	0	0	0	109	P388	P388-L390 PolarHBondContact O-N 3.02Å
391	L	82.7	Confident	74.7	Confident	16 Å²	16	103.1 Å²	103.1	8%	0.084	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-81.3	156.2	175.3	-68.2	166.1	0	0	0	109.6	L346 R349 P351 Q389 E395	L346-L391 HydrophobicContact CD1-CD1 3.48Å; L346-L391 VanDerWaalsContact CD1-CD1 3.48Å; R349-L391 HydrophobicContact CB-CD1 4.21Å; R349-L391 HydrophobicContact CB-CG 4.36Å; R349-L391 PolarHBondContact O-N 3.01Å; P351-L391 VanDerWaalsContact CB-O 3.3Å; P351-L391 WeakPolarHBondContact CB-O 3.47Å; P351-L391 WeakPolarHBondContact CD-O 3.39Å; P351-L391 VanDerWaalsContact CG-O 3.31Å; P351-L391 WeakPolarHBondContact CG-O 3.26Å; Q389-L391 PolarHBondContact O-N 3.09Å; L391-E395 HydrophobicContact CB-CB 4.17Å; L391-E395 HydrophobicContact CD2-CB 4.15Å
392	T	87.5	Confident	76.9	Confident	78 Å²	78	100.3 Å²	100.3	48%	0.479	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.4	160.2	163.3	65.1	0	0	0	0	110.4	A394 E395 Y396	T392-A394 PolarHBondContact O-N 3.15Å; T392-E395 VanDerWaalsContact CB-OE2 3.28Å; T392-E395 WeakPolarHBondContact CB-OE2 3.36Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.5Å; T392-E395 PolarHBondContact N-OE2 3.28Å; T392-E395 PolarHBondContact O-N 3.22Å; T392-E395 VanDerWaalsContact OG1-CD 3.24Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.3Å; T392-E395 PolarHBondContact OG1-N 3.25Å; T392-E395 PolarHBondContact OG1-OE2 3.12Å; T392-Y396 PolarHBondContact O-N 3.27Å
393	L	87.3	Confident	79.2	Confident	92 Å²	92	93.4 Å²	93.4	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-61.9	-34.8	-179.6	-173.1	63.8	0	0	0	111.9	P351 H397	P351-L393 HydrophobicContact CG-CB 4.25Å; P351-L393 HydrophobicContact CG-CD1 4.15Å; L393-H397 PolarHBondContact O-CD2 3.14Å; L393-H397 PolarHBondContact O-N 3.02Å
394	A	90.2	Very high	81.5	Confident	73 Å²	73	93.1 Å²	93.1	60%	0.603	47%	0.473	S	S	*	.	H	α-helix	trans	-65	-52.8	175.5	0	0	0	0	0	111.8	T392 Y396 H397 E398	T392-A394 PolarHBondContact O-N 3.15Å; A394-Y396 VanDerWaalsContact C-N 3.27Å; A394-Y396 PolarHBondContact O-N 3.16Å; A394-H397 PolarHBondContact O-N 3.14Å; A394-E398 WeakPolarHBondContact O-CB 3.47Å; A394-E398 PolarHBondContact O-N 2.81Å
395	E	89.4	Confident	83.5	Confident	82 Å²	82	88 Å²	88	38%	0.383	46%	0.462	S	S	.	.	H	α-helix	trans	-61.1	-34.8	178.7	-68.3	163.7	128.4	0	0	112.5	L391 T392 Q399	L391-E395 HydrophobicContact CB-CB 4.17Å; L391-E395 HydrophobicContact CD2-CB 4.15Å; T392-E395 VanDerWaalsContact CB-OE2 3.28Å; T392-E395 WeakPolarHBondContact CB-OE2 3.36Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.5Å; T392-E395 PolarHBondContact N-OE2 3.28Å; T392-E395 PolarHBondContact O-N 3.22Å; T392-E395 VanDerWaalsContact OG1-CD 3.24Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.3Å; T392-E395 PolarHBondContact OG1-N 3.25Å; T392-E395 PolarHBondContact OG1-OE2 3.12Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 3.03Å; E395-Q399 VanDerWaalsContact O-N 3.09Å
396	Y	91.2	Very high	85.7	Confident	13 Å²	13	89.1 Å²	89.1	5%	0.051	45%	0.451	C	S	.	.	H	α-helix	trans	-63.7	-49.4	175.2	177.4	-84.6	0	0	0	111.4	L346 K350 T392 A394 Q399 E400	L346-Y396 HydrophobicContact CD1-CD2 3.55Å; L346-Y396 HydrophobicContact CD1-CE2 3.87Å; L346-Y396 HydrophobicContact CD1-CG 4.39Å; L346-Y396 HydrophobicContact CD2-CE2 4.29Å; L346-Y396 HydrophobicContact CG-CD2 3.88Å; L346-Y396 HydrophobicContact CG-CE2 3.65Å; K350-Y396 HydrophobicContact CB-CD2 3.9Å; K350-Y396 HydrophobicContact CB-CE2 3.52Å; K350-Y396 HydrophobicContact CD-CE1 4.27Å; K350-Y396 HydrophobicContact CD-CE2 4.06Å; K350-Y396 HydrophobicContact CG-CD2 3.99Å; K350-Y396 HydrophobicContact CG-CE1 4.29Å; K350-Y396 HydrophobicContact CG-CE2 3.66Å; K350-Y396 HydrophobicContact CG-CG 4.42Å; T392-Y396 PolarHBondContact O-N 3.27Å; A394-Y396 VanDerWaalsContact C-N 3.27Å; A394-Y396 PolarHBondContact O-N 3.16Å; Y396-Q399 PolarHBondContact O-N 3.37Å; Y396-E400 HydrophobicContact CE1-CB 4.43Å; Y396-E400 WeakPolarHBondContact CE1-OE2 3.4Å; Y396-E400 WeakPolarHBondContact O-CB 3.3Å; Y396-E400 PolarHBondContact O-N 2.71Å; Y396-E400 PolarHBondContact OH-OE1 2.95Å
397	H	91.3	Very high	87.8	Confident	97 Å²	97	83.7 Å²	83.7	45%	0.449	42%	0.422	S	S	.	.	H	α-helix	trans	-67.8	-35.5	179.7	-76.4	-54.1	0	0	0	112.7	L393 A394 E400 E401	L393-H397 PolarHBondContact O-CD2 3.14Å; L393-H397 PolarHBondContact O-N 3.02Å; A394-H397 PolarHBondContact O-N 3.14Å; H397-E400 IonicContact ND1-OE2 3.45Å; H397-E400 PolarHBondContact ND1-OE2 2.85Å; H397-E400 PolarHBondContact O-N 3.45Å; H397-E401 PolarHBondContact O-N 3.46Å
398	E	93.3	Very high	89.5	Confident	123 Å²	123	78.4 Å²	78.4	58%	0.575	41%	0.406	S	S	*	.	H	α-helix	trans	-58.9	-50.3	172.8	-173.2	-174.4	164.8	0	0	111.1	A394 E400 E401 I402	A394-E398 WeakPolarHBondContact O-CB 3.47Å; A394-E398 PolarHBondContact O-N 2.81Å; E398-E400 PolarHBondContact O-N 3.07Å; E398-E401 PolarHBondContact O-N 2.72Å; E398-I402 HydrophobicContact CG-CD1 4.08Å; E398-I402 VanDerWaalsContact O-CG1 3.26Å; E398-I402 WeakPolarHBondContact O-CG1 3.5Å; E398-I402 PolarHBondContact O-N 3.32Å
399	Q	93.1	Very high	91.1	Very high	62 Å²	62	80.2 Å²	80.2	29%	0.29	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-37.1	177.9	-69.2	175.9	37.7	0	0	112.4	L346 E395 Y396 I402 F403	L346-Q399 HydrophobicContact CD1-CB 4.12Å; L346-Q399 HydrophobicContact CD2-CB 3.77Å; E395-Q399 WeakPolarHBondContact O-CG 3.26Å; E395-Q399 PolarHBondContact O-N 3.03Å; E395-Q399 VanDerWaalsContact O-N 3.09Å; Y396-Q399 PolarHBondContact O-N 3.37Å; Q399-I402 PolarHBondContact O-N 3.18Å; Q399-F403 HydrophobicContact CB-CE2 4.3Å; Q399-F403 WeakPolarHBondContact O-CD2 3.27Å; Q399-F403 WeakPolarHBondContact O-CG 3.47Å; Q399-F403 PolarHBondContact O-N 3.14Å
400	E	93	Very high	92.3	Very high	67 Å²	67	73.6 Å²	73.6	31%	0.313	38%	0.377	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.7	-176.1	166.4	-124.4	0	0	112.2	L346 Y396 H397 E398 F403 K404	L346-E400 HydrophobicContact CD2-CB 4.27Å; Y396-E400 HydrophobicContact CE1-CB 4.43Å; Y396-E400 WeakPolarHBondContact CE1-OE2 3.4Å; Y396-E400 WeakPolarHBondContact O-CB 3.3Å; Y396-E400 PolarHBondContact O-N 2.71Å; Y396-E400 PolarHBondContact OH-OE1 2.95Å; H397-E400 IonicContact ND1-OE2 3.45Å; H397-E400 PolarHBondContact ND1-OE2 2.85Å; H397-E400 PolarHBondContact O-N 3.45Å; E398-E400 PolarHBondContact O-N 3.07Å; E400-F403 PolarHBondContact O-N 3.36Å; E400-K404 WeakPolarHBondContact O-CB 3.43Å; E400-K404 PolarHBondContact O-N 2.9Å
401	E	95	Very high	93.2	Very high	81 Å²	81	76.3 Å²	76.3	38%	0.379	39%	0.385	S	S	.	.	H	α-helix	trans	-69	-38.1	177.6	-166.9	61.7	-155.8	0	0	111.7	H397 E398 F403 K404 L405	H397-E401 PolarHBondContact O-N 3.46Å; E398-E401 PolarHBondContact O-N 2.72Å; E401-F403 PolarHBondContact O-N 2.91Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 IonicContact OE1-NZ 2.8Å; E401-K404 PolarHBondContact OE1-NZ 2.87Å; E401-K404 WeakPolarHBondContact OE2-CD 3.37Å; E401-K404 IonicContact OE2-NZ 2.68Å; E401-K404 PolarHBondContact OE2-NZ 3.34Å; E401-L405 HydrophobicContact CG-CD1 4.13Å; E401-L405 HydrophobicContact CG-CG 4.44Å; E401-L405 WeakPolarHBondContact O-CB 3.19Å; E401-L405 WeakPolarHBondContact O-CG 3.5Å; E401-L405 PolarHBondContact O-N 3.25Å
402	I	95.5	Very high	93.9	Very high	65 Å²	65	81.6 Å²	81.6	33%	0.333	41%	0.407	S	S	.	.	H	α-helix	trans	-57.3	-47.7	172.3	-71.3	165.5	0	0	0	110.9	E398 Q399 L405 R406	E398-I402 HydrophobicContact CG-CD1 4.08Å; E398-I402 VanDerWaalsContact O-CG1 3.26Å; E398-I402 WeakPolarHBondContact O-CG1 3.5Å; E398-I402 PolarHBondContact O-N 3.32Å; Q399-I402 PolarHBondContact O-N 3.18Å; I402-L405 PolarHBondContact O-N 3.29Å; I402-R406 WeakPolarHBondContact O-CG 3.33Å; I402-R406 PolarHBondContact O-N 3.36Å
403	F	96	Very high	94.3	Very high	19 Å²	19	80.2 Å²	80.2	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-66.7	-37.7	179	-66.7	-43.1	0	0	0	112.6	I339 Q342 R343 L346 Q399 E400 E401 R406 L407	I339-F403 HydrophobicContact CG2-CB 3.92Å; I339-F403 HydrophobicContact CG2-CD1 3.89Å; I339-F403 HydrophobicContact CG2-CG 4.17Å; Q342-F403 HydrophobicContact CB-CE1 3.87Å; Q342-F403 HydrophobicContact CB-CE2 4.32Å; Q342-F403 HydrophobicContact CB-CZ 3.67Å; Q342-F403 VanDerWaalsContact OE1-CE1 3.23Å; R343-F403 HydrophobicContact CG-CB 3.68Å; R343-F403 HydrophobicContact CG-CD2 3.65Å; R343-F403 HydrophobicContact CG-CE2 4.47Å; R343-F403 HydrophobicContact CG-CG 3.77Å; L346-F403 HydrophobicContact CB-CE2 4.19Å; L346-F403 HydrophobicContact CD2-CD2 3.82Å; L346-F403 HydrophobicContact CD2-CE2 3.74Å; Q399-F403 HydrophobicContact CB-CE2 4.3Å; Q399-F403 WeakPolarHBondContact O-CD2 3.27Å; Q399-F403 WeakPolarHBondContact O-CG 3.47Å; Q399-F403 PolarHBondContact O-N 3.14Å; E400-F403 PolarHBondContact O-N 3.36Å; E401-F403 PolarHBondContact O-N 2.91Å; F403-R406 PolarHBondContact O-N 2.82Å; F403-L407 WeakPolarHBondContact O-CB 3.27Å; F403-L407 PolarHBondContact O-N 2.99Å
404	K	95.7	Very high	94.7	Very high	118 Å²	118	77.8 Å²	77.8	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-44.7	175.8	176.4	173.2	154.4	-116.9	0	112.2	E400 E401 L407 G408	E400-K404 WeakPolarHBondContact O-CB 3.43Å; E400-K404 PolarHBondContact O-N 2.9Å; E401-K404 PolarHBondContact O-N 3.49Å; E401-K404 IonicContact OE1-NZ 2.8Å; E401-K404 PolarHBondContact OE1-NZ 2.87Å; E401-K404 WeakPolarHBondContact OE2-CD 3.37Å; E401-K404 IonicContact OE2-NZ 2.68Å; E401-K404 PolarHBondContact OE2-NZ 3.34Å; K404-L407 PolarHBondContact O-N 2.88Å; K404-G408 PolarHBondContact O-N 2.83Å
405	L	96.6	Very high	95	Very high	113 Å²	113	77.2 Å²	77.2	59%	0.592	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-42.5	175.9	-71.4	167.7	0	0	0	111.8	E401 I402 G408 H409	E401-L405 HydrophobicContact CG-CD1 4.13Å; E401-L405 HydrophobicContact CG-CG 4.44Å; E401-L405 WeakPolarHBondContact O-CB 3.19Å; E401-L405 WeakPolarHBondContact O-CG 3.5Å; E401-L405 PolarHBondContact O-N 3.25Å; I402-L405 PolarHBondContact O-N 3.29Å; L405-G408 PolarHBondContact O-N 3.49Å; L405-H409 PolarHBondContact O-N 2.77Å
406	R	97	Very high	95.3	Very high	136 Å²	136	78.1 Å²	78.1	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-43	175.4	-71.4	178.1	179.6	-163.7	0.7	112.6	I339 I402 F403 G408 H409 L410	I339-R406 HydrophobicContact CD1-CB 3.66Å; I402-R406 WeakPolarHBondContact O-CG 3.33Å; I402-R406 PolarHBondContact O-N 3.36Å; F403-R406 PolarHBondContact O-N 2.82Å; R406-G408 VanDerWaalsContact C-N 3.32Å; R406-G408 PolarHBondContact O-N 2.77Å; R406-H409 WeakPolarHBondContact O-CB 3.19Å; R406-H409 PolarHBondContact O-N 2.75Å; R406-L410 WeakPolarHBondContact O-CG 3.49Å; R406-L410 PolarHBondContact O-N 3.05Å
407	L	96	Very high	95.6	Very high	44 Å²	44	78.4 Å²	78.4	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-61.8	-38.9	173.5	-83.6	162.4	0	0	0	112.2	R336 I339 F403 K404 H409 K411	R336-L407 HydrophobicContact CG-CD2 4.29Å; I339-L407 HydrophobicContact CG2-CD1 3.96Å; I339-L407 HydrophobicContact CG2-CD2 4.5Å; I339-L407 HydrophobicContact CG2-CG 3.88Å; F403-L407 WeakPolarHBondContact O-CB 3.27Å; F403-L407 PolarHBondContact O-N 2.99Å; K404-L407 PolarHBondContact O-N 2.88Å; L407-H409 VanDerWaalsContact C-N 3.35Å; L407-K411 WeakPolarHBondContact O-CB 3.5Å; L407-K411 PolarHBondContact O-N 3.14Å
408	G	96.3	Very high	95.8	Very high	47 Å²	47	77.3 Å²	77.3	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-40.1	173.1	0	0	0	0	0	113	K404 L405 R406 K412	K404-G408 PolarHBondContact O-N 2.83Å; L405-G408 PolarHBondContact O-N 3.49Å; R406-G408 VanDerWaalsContact C-N 3.32Å; R406-G408 PolarHBondContact O-N 2.77Å; G408-K412 PolarHBondContact O-N 3.41Å
409	H	96.5	Very high	95.9	Very high	110 Å²	110	74.1 Å²	74.1	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-66.1	-49.5	175.7	-178.5	16.7	0	0	0	112.3	L405 R406 L407 K411 K412 E413	L405-H409 PolarHBondContact O-N 2.77Å; R406-H409 WeakPolarHBondContact O-CB 3.19Å; R406-H409 PolarHBondContact O-N 2.75Å; L407-H409 VanDerWaalsContact C-N 3.35Å; H409-K411 VanDerWaalsContact C-N 3.26Å; H409-K411 PolarHBondContact O-N 3.41Å; H409-K412 WeakPolarHBondContact O-CA 3.21Å; H409-K412 WeakPolarHBondContact O-CB 3.46Å; H409-K412 PolarHBondContact O-N 3.18Å; H409-E413 IonicContact CE1-OE1 3.22Å; H409-E413 PolarHBondContact CE1-OE1 2.7Å; H409-E413 VanDerWaalsContact CE1-OE1 3.22Å; H409-E413 IonicContact NE2-OE1 3.6Å; H409-E413 PolarHBondContact O-N 2.69Å
410	L	97.1	Very high	96	Very high	11 Å²	11	74.5 Å²	74.5	6%	0.058	37%	0.374	C	S	.	.	H	α-helix	trans	-59.6	-36.4	177.5	-68.6	179.1	0	0	0	112.2	W331 V332 Q335 R336 I339 R406 K412 E413 E414	W331-L410 HydrophobicContact CZ3-CD2 4.48Å; V332-L410 HydrophobicContact CG1-CB 4.27Å; V332-L410 HydrophobicContact CG1-CD2 4.31Å; Q335-L410 HydrophobicContact CB-CD1 3.83Å; Q335-L410 HydrophobicContact CB-CD2 4.04Å; R336-L410 HydrophobicContact CB-CD1 3.99Å; I339-L410 HydrophobicContact CD1-CD1 3.63Å; R406-L410 WeakPolarHBondContact O-CG 3.49Å; R406-L410 PolarHBondContact O-N 3.05Å; L410-K412 VanDerWaalsContact C-N 3.28Å; L410-K412 PolarHBondContact O-N 2.86Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.38Å; L410-E413 PolarHBondContact O-N 3.19Å; L410-E414 WeakPolarHBondContact O-CB 3.42Å; L410-E414 PolarHBondContact O-N 3.05Å
411	K	96.7	Very high	96.1	Very high	155 Å²	155	73.4 Å²	73.4	67%	0.674	37%	0.371	S	S	*	.	H	α-helix	trans	-64.7	-30.6	174.4	-175	173.6	-178.6	175	0	112.9	L407 H409 A415	L407-K411 WeakPolarHBondContact O-CB 3.5Å; L407-K411 PolarHBondContact O-N 3.14Å; H409-K411 VanDerWaalsContact C-N 3.26Å; H409-K411 PolarHBondContact O-N 3.41Å; K411-A415 PolarHBondContact O-N 2.96Å
412	K	96.5	Very high	96	Very high	127 Å²	127	72.7 Å²	72.7	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-73.1	-44.1	173.6	-175.6	176.8	179.7	-80.2	0	111.1	G408 H409 L410 E414 A415 E416	G408-K412 PolarHBondContact O-N 3.41Å; H409-K412 WeakPolarHBondContact O-CA 3.21Å; H409-K412 WeakPolarHBondContact O-CB 3.46Å; H409-K412 PolarHBondContact O-N 3.18Å; L410-K412 VanDerWaalsContact C-N 3.28Å; L410-K412 PolarHBondContact O-N 2.86Å; K412-E414 VanDerWaalsContact C-N 3.35Å; K412-E414 PolarHBondContact O-N 3.5Å; K412-A415 PolarHBondContact O-N 3.43Å; K412-E416 WeakPolarHBondContact CE-OE1 3.42Å; K412-E416 IonicContact NZ-OE1 2.64Å; K412-E416 PolarHBondContact NZ-OE1 3.4Å; K412-E416 WeakPolarHBondContact O-CG 3.34Å; K412-E416 PolarHBondContact O-N 3.11Å
413	E	95.9	Very high	95.9	Very high	49 Å²	49	73.4 Å²	73.4	23%	0.229	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-43.6	175.6	-65.4	-174.3	149.8	0	0	111.8	V332 H409 L410 A415 E416 I417	V332-E413 HydrophobicContact CG2-CB 4.21Å; H409-E413 IonicContact CE1-OE1 3.22Å; H409-E413 PolarHBondContact CE1-OE1 2.7Å; H409-E413 VanDerWaalsContact CE1-OE1 3.22Å; H409-E413 IonicContact NE2-OE1 3.6Å; H409-E413 PolarHBondContact O-N 2.69Å; L410-E413 WeakPolarHBondContact CD2-OE2 3.38Å; L410-E413 PolarHBondContact O-N 3.19Å; E413-A415 VanDerWaalsContact C-N 3.34Å; E413-A415 PolarHBondContact O-N 3.36Å; E413-E416 WeakPolarHBondContact O-CB 3.37Å; E413-E416 PolarHBondContact O-N 3.15Å; E413-E416 VanDerWaalsContact O-N 3.13Å; E413-I417 WeakPolarHBondContact O-CG1 3.49Å; E413-I417 PolarHBondContact O-N 2.91Å
414	E	96.6	Very high	95.8	Very high	42 Å²	42	72.6 Å²	72.6	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-40.8	174.4	176.8	165.4	-113.7	0	0	113	Q329 V332 R336 L410 K412 E416 I417 Q418	Q329-E414 PolarHBondContact NE2-OE1 2.9Å; V332-E414 HydrophobicContact CG1-CB 4.34Å; R336-E414 IonicContact CZ-OE1 3.59Å; R336-E414 IonicContact CZ-OE2 2.75Å; R336-E414 VanDerWaalsContact NH1-CD 3.27Å; R336-E414 IonicContact NH1-OE1 3.32Å; R336-E414 PolarHBondContact NH1-OE1 2.82Å; R336-E414 IonicContact NH1-OE2 2.64Å; R336-E414 PolarHBondContact NH1-OE2 2.9Å; R336-E414 IonicContact NH2-OE1 3.78Å; R336-E414 PolarHBondContact NH2-OE1 2.8Å; R336-E414 IonicContact NH2-OE2 2.85Å; L410-E414 WeakPolarHBondContact O-CB 3.42Å; L410-E414 PolarHBondContact O-N 3.05Å; K412-E414 VanDerWaalsContact C-N 3.35Å; K412-E414 PolarHBondContact O-N 3.5Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E414-E416 PolarHBondContact O-N 2.94Å; E414-I417 PolarHBondContact O-N 3.22Å; E414-Q418 WeakPolarHBondContact O-CB 3.37Å; E414-Q418 PolarHBondContact O-N 2.99Å
415	A	96.6	Very high	95.7	Very high	60 Å²	60	68.4 Å²	68.4	50%	0.496	35%	0.345	S	S	.	.	H	α-helix	trans	-66.8	-34.1	175.2	0	0	0	0	0	112.4	K411 K412 E413 A419	K411-A415 PolarHBondContact O-N 2.96Å; K412-A415 PolarHBondContact O-N 3.43Å; E413-A415 VanDerWaalsContact C-N 3.34Å; E413-A415 PolarHBondContact O-N 3.36Å; A415-A419 WeakPolarHBondContact O-CB 3.49Å; A415-A419 PolarHBondContact O-N 2.86Å
416	E	96.5	Very high	95.5	Very high	102 Å²	102	66.8 Å²	66.8	48%	0.477	33%	0.331	S	S	.	.	H	α-helix	trans	-70	-43.7	174.6	-72	171.4	-167.3	0	0	111.6	K412 E413 E414 Q418 A419 E420	K412-E416 WeakPolarHBondContact CE-OE1 3.42Å; K412-E416 IonicContact NZ-OE1 2.64Å; K412-E416 PolarHBondContact NZ-OE1 3.4Å; K412-E416 WeakPolarHBondContact O-CG 3.34Å; K412-E416 PolarHBondContact O-N 3.11Å; E413-E416 WeakPolarHBondContact O-CB 3.37Å; E413-E416 PolarHBondContact O-N 3.15Å; E413-E416 VanDerWaalsContact O-N 3.13Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E414-E416 PolarHBondContact O-N 2.94Å; E416-Q418 PolarHBondContact O-N 3Å; E416-A419 PolarHBondContact O-N 2.85Å; E416-E420 WeakPolarHBondContact O-CB 3.26Å; E416-E420 PolarHBondContact O-N 3.25Å
417	I	96.8	Very high	95.3	Very high	18 Å²	18	62.1 Å²	62.1	9%	0.092	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-47.3	173.2	-68.6	164.2	0	0	0	110.5	L325 Q328 Q329 V332 E413 E414 A419 E420 L421	L325-I417 HydrophobicContact CD2-CG2 4.45Å; Q328-I417 HydrophobicContact CB-CD1 3.92Å; Q328-I417 HydrophobicContact CB-CG1 4.38Å; Q329-I417 HydrophobicContact CB-CG2 4.32Å; V332-I417 HydrophobicContact CG2-CD1 3.87Å; E413-I417 WeakPolarHBondContact O-CG1 3.49Å; E413-I417 PolarHBondContact O-N 2.91Å; E414-I417 PolarHBondContact O-N 3.22Å; I417-A419 PolarHBondContact O-N 3.25Å; I417-E420 PolarHBondContact O-N 3.21Å; I417-L421 WeakPolarHBondContact O-CB 3.35Å; I417-L421 PolarHBondContact O-N 3.18Å
418	Q	96	Very high	95.2	Very high	74 Å²	74	61.7 Å²	61.7	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-38.4	180	-175	59.2	39.2	0	0	112.4	E414 E416 L421 E422	E414-Q418 WeakPolarHBondContact O-CB 3.37Å; E414-Q418 PolarHBondContact O-N 2.99Å; E416-Q418 PolarHBondContact O-N 3Å; Q418-L421 PolarHBondContact O-N 2.98Å; Q418-E422 PolarHBondContact O-N 2.69Å
419	A	94.6	Very high	95	Very high	57 Å²	57	62.6 Å²	62.6	47%	0.471	31%	0.306	S	S	.	.	H	α-helix	trans	-66.7	-40	175.9	0	0	0	0	0	112.3	A415 E416 I417 R423	A415-A419 WeakPolarHBondContact O-CB 3.49Å; A415-A419 PolarHBondContact O-N 2.86Å; E416-A419 PolarHBondContact O-N 2.85Å; I417-A419 PolarHBondContact O-N 3.25Å; A419-R423 PolarHBondContact O-N 3.32Å
420	E	95.4	Very high	94.8	Very high	69 Å²	69	59.4 Å²	59.4	32%	0.322	29%	0.293	S	S	.	.	H	α-helix	trans	-70.9	-34.2	176.1	-178.6	58.3	-170.9	0	0	111.9	L325 E416 I417 R423 L424	L325-E420 HydrophobicContact CD1-CB 4.37Å; L325-E420 HydrophobicContact CD1-CG 4.07Å; L325-E420 HydrophobicContact CD2-CB 4.36Å; L325-E420 HydrophobicContact CD2-CG 3.96Å; E416-E420 WeakPolarHBondContact O-CB 3.26Å; E416-E420 PolarHBondContact O-N 3.25Å; I417-E420 PolarHBondContact O-N 3.21Å; E420-R423 WeakPolarHBondContact O-CB 3.26Å; E420-R423 PolarHBondContact O-N 3.47Å; E420-R423 IonicContact OE1-CZ 2.68Å; E420-R423 IonicContact OE1-NE 3.73Å; E420-R423 PolarHBondContact OE1-NE 2.95Å; E420-R423 IonicContact OE1-NH2 3.54Å; E420-R423 PolarHBondContact OE1-NH2 2.73Å; E420-R423 WeakPolarHBondContact OE2-CD 3.32Å; E420-R423 IonicContact OE2-CZ 3.4Å; E420-R423 IonicContact OE2-NE 3.69Å; E420-R423 PolarHBondContact OE2-NE 2.77Å; E420-R423 IonicContact OE2-NH2 3.89Å; E420-L424 PolarHBondContact O-N 3.25Å
421	L	95.5	Very high	94.6	Very high	45 Å²	45	59.1 Å²	59.1	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-52.7	170.6	-172.4	71.2	0	0	0	110.6	F322 L325 I417 Q418 R423 L424 E425	F322-L421 HydrophobicContact CD1-CD1 3.87Å; F322-L421 HydrophobicContact CE1-CD1 4.04Å; L325-L421 HydrophobicContact CD1-CB 3.97Å; L325-L421 HydrophobicContact CD1-CD1 4.03Å; I417-L421 WeakPolarHBondContact O-CB 3.35Å; I417-L421 PolarHBondContact O-N 3.18Å; Q418-L421 PolarHBondContact O-N 2.98Å; L421-R423 PolarHBondContact O-N 3.32Å; L421-L424 PolarHBondContact O-N 3.17Å; L421-L424 VanDerWaalsContact O-N 3.08Å; L421-E425 WeakPolarHBondContact O-CG 3.46Å; L421-E425 PolarHBondContact O-N 3.36Å
422	E	92.8	Very high	94.5	Very high	66 Å²	66	52.7 Å²	52.7	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-56.5	-33.9	174.7	-76.3	-158.8	-177.1	0	0	111.9	Q418 R426 K554	Q418-E422 PolarHBondContact O-N 2.69Å; E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 PolarHBondContact O-NE 2.97Å; E422-K554 IonicContact OE1-NZ 2.71Å; E422-K554 PolarHBondContact OE1-NZ 2.95Å; E422-K554 IonicContact OE2-NZ 2.86Å; E422-K554 PolarHBondContact OE2-NZ 3.1Å
423	R	93.1	Very high	94.3	Very high	80 Å²	80	50.6 Å²	50.6	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-69.4	-46.5	175.3	-162	-161.5	63.1	63.1	3.9	111.6	A419 E420 L421 R426 V427	A419-R423 PolarHBondContact O-N 3.32Å; E420-R423 WeakPolarHBondContact O-CB 3.26Å; E420-R423 PolarHBondContact O-N 3.47Å; E420-R423 IonicContact OE1-CZ 2.68Å; E420-R423 IonicContact OE1-NE 3.73Å; E420-R423 PolarHBondContact OE1-NE 2.95Å; E420-R423 IonicContact OE1-NH2 3.54Å; E420-R423 PolarHBondContact OE1-NH2 2.73Å; E420-R423 WeakPolarHBondContact OE2-CD 3.32Å; E420-R423 IonicContact OE2-CZ 3.4Å; E420-R423 IonicContact OE2-NE 3.69Å; E420-R423 PolarHBondContact OE2-NE 2.77Å; E420-R423 IonicContact OE2-NH2 3.89Å; L421-R423 PolarHBondContact O-N 3.32Å; R423-R426 PolarHBondContact O-N 3.08Å; R423-V427 WeakPolarHBondContact O-CG2 3.23Å; R423-V427 PolarHBondContact O-N 3.24Å
424	L	94.4	Very high	94.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-40.6	178.1	-75.1	-179.5	0	0	0	112.3	L300 A321 F322 L325 E420 L421 R426 V427 R428	L300-L424 HydrophobicContact CD2-CD2 3.95Å; A321-L424 HydrophobicContact CB-CD1 3.74Å; A321-L424 HydrophobicContact CB-CD2 4Å; F322-L424 HydrophobicContact CD1-CB 4.41Å; F322-L424 HydrophobicContact CD1-CD1 4.46Å; F322-L424 HydrophobicContact CE1-CB 3.74Å; F322-L424 HydrophobicContact CE2-CB 4.09Å; F322-L424 HydrophobicContact CG-CD1 4.49Å; F322-L424 HydrophobicContact CZ-CB 3.57Å; L325-L424 HydrophobicContact CD1-CD1 3.64Å; L325-L424 HydrophobicContact CG-CD1 4.19Å; E420-L424 PolarHBondContact O-N 3.25Å; L421-L424 PolarHBondContact O-N 3.17Å; L421-L424 VanDerWaalsContact O-N 3.08Å; L424-R426 VanDerWaalsContact C-N 3.28Å; L424-R426 PolarHBondContact O-N 3.02Å; L424-V427 PolarHBondContact O-N 3.05Å; L424-V427 VanDerWaalsContact O-N 3.16Å; L424-R428 WeakPolarHBondContact O-CB 3.16Å; L424-R428 PolarHBondContact O-N 2.9Å
425	E	93.4	Very high	94	Very high	30 Å²	30	51 Å²	51	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-39.5	177.3	-70.4	-155.3	116.9	0	0	112.5	S100 F322 L421 R428 N429	S100-E425 WeakPolarHBondContact CB-OE2 3.38Å; S100-E425 PolarHBondContact OG-OE1 3.25Å; S100-E425 PolarHBondContact OG-OE2 3.23Å; F322-E425 HydrophobicContact CE1-CG 4.02Å; F322-E425 HydrophobicContact CZ-CG 4.44Å; L421-E425 WeakPolarHBondContact O-CG 3.46Å; L421-E425 PolarHBondContact O-N 3.36Å; E425-R428 PolarHBondContact O-N 2.92Å; E425-R428 IonicContact OE1-CZ 2.8Å; E425-R428 IonicContact OE1-NH1 3.32Å; E425-R428 IonicContact OE1-NH2 3.35Å; E425-R428 PolarHBondContact OE1-NH2 3.2Å; E425-N429 WeakPolarHBondContact O-CB 3.45Å; E425-N429 PolarHBondContact O-N 3.18Å; E425-N429 PolarHBondContact O-ND2 3.37Å; E425-N429 PolarHBondContact O-OD1 3.34Å
426	R	91.1	Very high	93.9	Very high	79 Å²	79	53.9 Å²	53.9	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-46.9	174.3	-74.7	175.5	-83.7	-172.9	-4.1	111.9	E422 R423 L424 N429 L430 Q552	E422-R426 WeakPolarHBondContact O-CG 3.46Å; E422-R426 PolarHBondContact O-N 3.19Å; E422-R426 PolarHBondContact O-NE 2.97Å; R423-R426 PolarHBondContact O-N 3.08Å; L424-R426 VanDerWaalsContact C-N 3.28Å; L424-R426 PolarHBondContact O-N 3.02Å; R426-N429 PolarHBondContact O-N 2.63Å; R426-L430 WeakPolarHBondContact O-CG 3.41Å; R426-L430 PolarHBondContact O-N 3.15Å; R426-L430 VanDerWaalsContact O-N 3.14Å; R426-Q552 WeakPolarHBondContact CD-O 3.39Å; R426-Q552 PolarHBondContact NH1-O 2.97Å
427	V	92.8	Very high	93.8	Very high	38 Å²	38	50.7 Å²	50.7	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-67.5	-37.5	178.6	-172.2	0	0	0	0	111.3	L300 R423 L424 N429 L430 H431	L300-V427 HydrophobicContact CD1-CB 4.36Å; L300-V427 HydrophobicContact CD1-CG1 3.71Å; L300-V427 HydrophobicContact CD2-CG1 4.48Å; R423-V427 WeakPolarHBondContact O-CG2 3.23Å; R423-V427 PolarHBondContact O-N 3.24Å; L424-V427 PolarHBondContact O-N 3.05Å; L424-V427 VanDerWaalsContact O-N 3.16Å; V427-N429 VanDerWaalsContact C-N 3.35Å; V427-N429 PolarHBondContact O-N 3.38Å; V427-L430 WeakPolarHBondContact O-CB 3.19Å; V427-L430 PolarHBondContact O-N 3.21Å; V427-H431 PolarHBondContact O-N 3.19Å
428	R	94.5	Very high	93.8	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.128	24%	0.241	C	C	.	.	H	α-helix	trans	-56.5	-46.7	171.2	-179.5	-175.8	66.3	-159.8	-3	111.4	W316 D318 F322 L424 E425 L430 H431 I432	W316-R428 HydrophobicContact CH2-CG 4.25Å; W316-R428 HydrophobicContact CZ2-CG 3.58Å; D318-R428 IonicContact OD1-NH1 3.33Å; F322-R428 HydrophobicContact CE2-CB 4.01Å; F322-R428 HydrophobicContact CE2-CG 4.31Å; F322-R428 HydrophobicContact CZ-CB 3.88Å; F322-R428 HydrophobicContact CZ-CG 4.36Å; L424-R428 WeakPolarHBondContact O-CB 3.16Å; L424-R428 PolarHBondContact O-N 2.9Å; E425-R428 PolarHBondContact O-N 2.92Å; E425-R428 IonicContact OE1-CZ 2.8Å; E425-R428 IonicContact OE1-NH1 3.32Å; E425-R428 IonicContact OE1-NH2 3.35Å; E425-R428 PolarHBondContact OE1-NH2 3.2Å; R428-L430 VanDerWaalsContact C-N 3.29Å; R428-L430 PolarHBondContact O-N 3.45Å; R428-H431 PolarHBondContact O-N 3.23Å; R428-I432 HydrophobicContact CG-CD1 3.88Å; R428-I432 HydrophobicContact CG-CG1 4.48Å; R428-I432 WeakPolarHBondContact O-CG1 3.5Å; R428-I432 PolarHBondContact O-N 3.16Å
429	N	92.5	Very high	93.7	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-33.6	178.9	-70.1	-15.8	0	0	0	112.6	E425 R426 V427 R433	E425-N429 WeakPolarHBondContact O-CB 3.45Å; E425-N429 PolarHBondContact O-N 3.18Å; E425-N429 PolarHBondContact O-ND2 3.37Å; E425-N429 PolarHBondContact O-OD1 3.34Å; R426-N429 PolarHBondContact O-N 2.63Å; V427-N429 VanDerWaalsContact C-N 3.35Å; V427-N429 PolarHBondContact O-N 3.38Å; N429-R433 PolarHBondContact O-N 3.2Å; N429-R433 VanDerWaalsContact O-N 3.14Å
430	L	91.8	Very high	93.7	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-44.5	171.5	-62.2	171.4	0	0	0	111.7	R426 V427 R428 R433 E434 F548 Q552	R426-L430 WeakPolarHBondContact O-CG 3.41Å; R426-L430 PolarHBondContact O-N 3.15Å; R426-L430 VanDerWaalsContact O-N 3.14Å; V427-L430 WeakPolarHBondContact O-CB 3.19Å; V427-L430 PolarHBondContact O-N 3.21Å; R428-L430 VanDerWaalsContact C-N 3.29Å; R428-L430 PolarHBondContact O-N 3.45Å; L430-R433 WeakPolarHBondContact O-CB 3.44Å; L430-R433 PolarHBondContact O-N 3.47Å; L430-E434 PolarHBondContact O-N 2.88Å; L430-F548 HydrophobicContact CD2-CD2 4.43Å; L430-F548 HydrophobicContact CD2-CE1 4.22Å; L430-F548 HydrophobicContact CD2-CE2 3.62Å; L430-F548 HydrophobicContact CD2-CZ 3.5Å; L430-Q552 HydrophobicContact CD1-CG 4.14Å; L430-Q552 HydrophobicContact CD2-CG 3.96Å; L430-Q552 HydrophobicContact CG-CG 4.46Å
431	H	94.2	Very high	93.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-43.8	177.4	179.3	46.1	0	0	0	111.8	S293 R297 L300 V427 R428 R433 E434 L435	S293-H431 PolarHBondContact O-CE1 3Å; R297-H431 PolarHBondContact N-NE2 3.44Å; L300-H431 HydrophobicContact CD1-CB 3.78Å; V427-H431 PolarHBondContact O-N 3.19Å; R428-H431 PolarHBondContact O-N 3.23Å; H431-R433 VanDerWaalsContact C-N 3.3Å; H431-R433 PolarHBondContact O-N 2.86Å; H431-E434 PolarHBondContact O-N 2.86Å; H431-L435 WeakPolarHBondContact O-CG 3.44Å; H431-L435 PolarHBondContact O-N 3.27Å
432	I	93.6	Very high	93.7	Very high	20 Å²	20	48.7 Å²	48.7	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-40.1	173	-70.1	167.4	0	0	0	111.6	F303 W316 R428 K436	F303-I432 HydrophobicContact CE2-CG1 4.27Å; F303-I432 HydrophobicContact CE2-CG2 4.2Å; F303-I432 HydrophobicContact CZ-CG1 4.39Å; F303-I432 HydrophobicContact CZ-CG2 4.2Å; W316-I432 HydrophobicContact CD2-CD1 4.29Å; W316-I432 HydrophobicContact CE3-CD1 3.94Å; W316-I432 HydrophobicContact CE3-CG1 3.97Å; W316-I432 HydrophobicContact CH2-CD1 4.11Å; W316-I432 HydrophobicContact CH2-CG1 3.69Å; W316-I432 HydrophobicContact CZ2-CD1 4.44Å; W316-I432 HydrophobicContact CZ2-CG1 4.46Å; W316-I432 HydrophobicContact CZ3-CD1 3.86Å; W316-I432 HydrophobicContact CZ3-CG1 3.41Å; W316-I432 VanDerWaalsContact CZ3-CG1 3.41Å; R428-I432 HydrophobicContact CG-CD1 3.88Å; R428-I432 HydrophobicContact CG-CG1 4.48Å; R428-I432 WeakPolarHBondContact O-CG1 3.5Å; R428-I432 PolarHBondContact O-N 3.16Å; I432-K436 HydrophobicContact CG2-CD 4.41Å; I432-K436 WeakPolarHBondContact O-CG 3.32Å; I432-K436 PolarHBondContact O-N 3.34Å
433	R	91.6	Very high	93.8	Very high	83 Å²	83	50.6 Å²	50.6	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-43.6	175.8	-178	-172.9	-87.2	135.1	-22.6	111.2	N429 L430 H431 K436 R437 F548	N429-R433 PolarHBondContact O-N 3.2Å; N429-R433 VanDerWaalsContact O-N 3.14Å; L430-R433 WeakPolarHBondContact O-CB 3.44Å; L430-R433 PolarHBondContact O-N 3.47Å; H431-R433 VanDerWaalsContact C-N 3.3Å; H431-R433 PolarHBondContact O-N 2.86Å; R433-K436 PolarHBondContact O-N 3.17Å; R433-R437 PolarHBondContact O-N 3.14Å; R433-F548 VanDerWaalsContact CZ-CD2 3.48Å
434	E	93.5	Very high	93.9	Very high	47 Å²	47	47 Å²	47	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-40.5	179.5	-178	56.7	-163.6	0	0	112.4	L430 H431 K436 R437 I438	L430-E434 PolarHBondContact O-N 2.88Å; H431-E434 PolarHBondContact O-N 2.86Å; E434-K436 VanDerWaalsContact C-N 3.28Å; E434-K436 PolarHBondContact O-N 2.76Å; E434-R437 VanDerWaalsContact CD-NE 3.31Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 PolarHBondContact O-N 3.08Å; E434-R437 VanDerWaalsContact O-N 3.08Å; E434-R437 IonicContact OE1-CZ 2.74Å; E434-R437 VanDerWaalsContact OE1-CZ 3.32Å; E434-R437 IonicContact OE1-NE 3.06Å; E434-R437 PolarHBondContact OE1-NE 2.65Å; E434-R437 IonicContact OE1-NH2 3.42Å; E434-R437 PolarHBondContact OE1-NH2 3.18Å; E434-R437 WeakPolarHBondContact OE2-CD 3.46Å; E434-R437 IonicContact OE2-CZ 3.62Å; E434-R437 IonicContact OE2-NE 2.81Å; E434-R437 PolarHBondContact OE2-NE 3.31Å; E434-I438 HydrophobicContact CG-CD1 3.95Å; E434-I438 HydrophobicContact CG-CG1 4.42Å; E434-I438 WeakPolarHBondContact O-CG1 3.35Å; E434-I438 PolarHBondContact O-N 3.44Å; E434-I438 WeakPolarHBondContact OE1-CG1 3.19Å
435	L	94	Very high	93.8	Very high	53 Å²	53	53.3 Å²	53.3	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-43.3	171.4	-72.7	175.6	0	0	0	111.5	H431 N439	H431-L435 WeakPolarHBondContact O-CG 3.44Å; H431-L435 PolarHBondContact O-N 3.27Å; L435-N439 WeakPolarHBondContact O-CB 3.31Å; L435-N439 PolarHBondContact O-N 3.32Å
436	K	93.9	Very high	93.9	Very high	119 Å²	119	52.8 Å²	52.8	52%	0.517	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-38.4	175.1	-71.8	175.7	-179.4	-175.5	0	112.3	I432 R433 E434 N440	I432-K436 HydrophobicContact CG2-CD 4.41Å; I432-K436 WeakPolarHBondContact O-CG 3.32Å; I432-K436 PolarHBondContact O-N 3.34Å; R433-K436 PolarHBondContact O-N 3.17Å; E434-K436 VanDerWaalsContact C-N 3.28Å; E434-K436 PolarHBondContact O-N 2.76Å; K436-N440 WeakPolarHBondContact O-CB 3.46Å; K436-N440 PolarHBondContact O-N 3.38Å; K436-N440 PolarHBondContact O-ND2 3.49Å; K436-N440 VanDerWaalsContact O-ND2 3.16Å
437	R	95	Very high	94.1	Very high	36 Å²	36	52.7 Å²	52.7	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-64.1	-47.4	175.8	-167	-157.1	68.6	68.5	9.4	111.3	R433 E434 N440 E441 L461	R433-R437 PolarHBondContact O-N 3.14Å; E434-R437 VanDerWaalsContact CD-NE 3.31Å; E434-R437 WeakPolarHBondContact O-CB 3.47Å; E434-R437 PolarHBondContact O-N 3.08Å; E434-R437 VanDerWaalsContact O-N 3.08Å; E434-R437 IonicContact OE1-CZ 2.74Å; E434-R437 VanDerWaalsContact OE1-CZ 3.32Å; E434-R437 IonicContact OE1-NE 3.06Å; E434-R437 PolarHBondContact OE1-NE 2.65Å; E434-R437 IonicContact OE1-NH2 3.42Å; E434-R437 PolarHBondContact OE1-NH2 3.18Å; E434-R437 WeakPolarHBondContact OE2-CD 3.46Å; E434-R437 IonicContact OE2-CZ 3.62Å; E434-R437 IonicContact OE2-NE 2.81Å; E434-R437 PolarHBondContact OE2-NE 3.31Å; R437-N440 PolarHBondContact O-N 2.81Å; R437-E441 IonicContact CZ-OE1 3.43Å; R437-E441 IonicContact NH1-OE1 3.44Å; R437-E441 PolarHBondContact NH1-OE1 2.95Å; R437-E441 IonicContact NH1-OE2 2.82Å; R437-E441 WeakPolarHBondContact O-CB 3.27Å; R437-E441 PolarHBondContact O-N 3.27Å; R437-L461 VanDerWaalsContact CD-O 3.26Å; R437-L461 WeakPolarHBondContact CD-O 3.36Å; R437-L461 PolarHBondContact NH1-O 2.79Å
438	I	95.2	Very high	94.2	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.087	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-49.8	176.2	-68.2	167.6	0	0	0	110.3	R290 S293 E434 N440 E441 D442	R290-I438 HydrophobicContact CG-CD1 4.1Å; R290-I438 HydrophobicContact CG-CG2 4.26Å; S293-I438 WeakPolarHBondContact OG-CD1 2.96Å; E434-I438 HydrophobicContact CG-CD1 3.95Å; E434-I438 HydrophobicContact CG-CG1 4.42Å; E434-I438 WeakPolarHBondContact O-CG1 3.35Å; E434-I438 PolarHBondContact O-N 3.44Å; E434-I438 WeakPolarHBondContact OE1-CG1 3.19Å; I438-N440 VanDerWaalsContact C-N 3.31Å; I438-N440 PolarHBondContact O-N 3.35Å; I438-E441 WeakPolarHBondContact O-CB 3.44Å; I438-E441 PolarHBondContact O-N 3.01Å; I438-D442 WeakPolarHBondContact CG2-OD2 3.18Å; I438-D442 PolarHBondContact O-N 2.84Å
439	N	94.3	Very high	94.3	Very high	89 Å²	89	56.5 Å²	56.5	48%	0.476	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-38.8	177.4	-178.8	78.2	0	0	0	112.6	L435 N443	L435-N439 WeakPolarHBondContact O-CB 3.31Å; L435-N439 PolarHBondContact O-N 3.32Å; N439-N443 PolarHBondContact ND2-ND2 3.04Å; N439-N443 WeakPolarHBondContact O-CB 3Å; N439-N443 PolarHBondContact O-N 3.37Å; N439-N443 PolarHBondContact O-ND2 2.84Å; N439-N443 PolarHBondContact OD1-ND2 2.98Å
440	N	95.3	Very high	94.5	Very high	45 Å²	45	55.3 Å²	55.3	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-34.5	175.2	-71.1	-23.7	0	0	0	112.3	K436 R437 I438 S444 L461 R464	K436-N440 WeakPolarHBondContact O-CB 3.46Å; K436-N440 PolarHBondContact O-N 3.38Å; K436-N440 PolarHBondContact O-ND2 3.49Å; K436-N440 VanDerWaalsContact O-ND2 3.16Å; R437-N440 PolarHBondContact O-N 2.81Å; I438-N440 VanDerWaalsContact C-N 3.31Å; I438-N440 PolarHBondContact O-N 3.35Å; N440-S444 WeakPolarHBondContact O-CB 3.5Å; N440-S444 PolarHBondContact O-N 3.46Å; N440-L461 HydrophobicContact CB-CD2 3.55Å; N440-R464 HydrophobicContact CB-CB 4.26Å
441	E	95.6	Very high	94.8	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-48.4	174.7	-175.7	176.1	-92.3	0	0	110.9	R290 R437 I438 N443 S444 K447 H460 L461	R290-E441 IonicContact CZ-OE2 2.64Å; R290-E441 IonicContact NH1-OE2 2.97Å; R290-E441 PolarHBondContact NH1-OE2 2.88Å; R290-E441 VanDerWaalsContact NH1-OE2 3.14Å; R290-E441 IonicContact NH2-OE2 2.74Å; R290-E441 PolarHBondContact NH2-OE2 2.78Å; R437-E441 IonicContact CZ-OE1 3.43Å; R437-E441 IonicContact NH1-OE1 3.44Å; R437-E441 PolarHBondContact NH1-OE1 2.95Å; R437-E441 IonicContact NH1-OE2 2.82Å; R437-E441 WeakPolarHBondContact O-CB 3.27Å; R437-E441 PolarHBondContact O-N 3.27Å; I438-E441 WeakPolarHBondContact O-CB 3.44Å; I438-E441 PolarHBondContact O-N 3.01Å; E441-N443 PolarHBondContact O-N 3.1Å; E441-S444 PolarHBondContact O-N 2.94Å; E441-S444 VanDerWaalsContact O-N 3.12Å; E441-K447 VanDerWaalsContact O-CB 3.23Å; E441-K447 WeakPolarHBondContact O-CB 3.5Å; E441-H460 WeakPolarHBondContact OE1-CB 3.49Å; E441-L461 HydrophobicContact CB-CB 3.91Å; E441-L461 HydrophobicContact CB-CD2 4.15Å; E441-L461 HydrophobicContact CG-CB 4.1Å; E441-L461 PolarHBondContact OE1-N 3.42Å
442	D	94.9	Very high	95	Very high	69 Å²	69	55.8 Å²	55.8	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-30.2	-178.6	-67	-27.5	0	0	0	112.7	R290 I438 K447	R290-D442 IonicContact CZ-OD1 3.53Å; R290-D442 IonicContact NE-OD1 3.04Å; R290-D442 IonicContact NH2-OD1 2.77Å; R290-D442 PolarHBondContact NH2-OD1 3.12Å; R290-D442 IonicContact NH2-OD2 3.8Å; I438-D442 WeakPolarHBondContact CG2-OD2 3.18Å; I438-D442 PolarHBondContact O-N 2.84Å; D442-K447 WeakPolarHBondContact O-CD 3.4Å; D442-K447 PolarHBondContact O-NZ 2.75Å
443	N	94.6	Very high	95.1	Very high	106 Å²	106	58.8 Å²	58.8	57%	0.567	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0	176.9	-70.8	-58.4	0	0	0	114.5	N439 E441	N439-N443 PolarHBondContact ND2-ND2 3.04Å; N439-N443 WeakPolarHBondContact O-CB 3Å; N439-N443 PolarHBondContact O-N 3.37Å; N439-N443 PolarHBondContact O-ND2 2.84Å; N439-N443 PolarHBondContact OD1-ND2 2.98Å; E441-N443 PolarHBondContact O-N 3.1Å
444	S	94.7	Very high	95.2	Very high	5 Å²	5	63.7 Å²	63.7	4%	0.035	32%	0.319	C	S	.	.			trans	-86.9	143.2	176.4	179.6	0	0	0	0	111.8	N440 E441 F446 K447 E469 Y471	N440-S444 WeakPolarHBondContact O-CB 3.5Å; N440-S444 PolarHBondContact O-N 3.46Å; E441-S444 PolarHBondContact O-N 2.94Å; E441-S444 VanDerWaalsContact O-N 3.12Å; S444-F446 PolarHBondContact O-N 3.13Å; S444-F446 PolarHBondContact OG-N 3Å; S444-F446 VanDerWaalsContact OG-N 3.12Å; S444-K447 WeakPolarHBondContact O-CD 3.39Å; S444-E469 WeakPolarHBondContact CB-OE2 3.43Å; S444-E469 PolarHBondContact OG-OE2 3.1Å; S444-Y471 WeakPolarHBondContact CB-OH 3.49Å; S444-Y471 PolarHBondContact OG-OH 2.83Å
445	Q	94.1	Very high	95.4	Very high	133 Å²	133	64.3 Å²	64.3	62%	0.621	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.3	170.6	61.5	176.2	-26.3	0	0	113.5
446	F	95.3	Very high	95.6	Very high	19 Å²	19	61.8 Å²	61.8	8%	0.083	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	12.6	-175.9	-58.6	-68.7	0	0	0	114.1	S444 D448 P450 L452 L458 Y471 I486 Q488 L529 T533	S444-F446 PolarHBondContact O-N 3.13Å; S444-F446 PolarHBondContact OG-N 3Å; S444-F446 VanDerWaalsContact OG-N 3.12Å; F446-D448 PolarHBondContact O-N 3.41Å; F446-P450 HydrophobicContact CB-CG 4.32Å; F446-P450 HydrophobicContact CD1-CG 4.21Å; F446-P450 VanDerWaalsContact O-CD 3.25Å; F446-P450 WeakPolarHBondContact O-CD 3.45Å; F446-L452 HydrophobicContact CD1-CD2 4.46Å; F446-L452 HydrophobicContact CE1-CD2 4.42Å; F446-L458 HydrophobicContact CB-CD1 3.89Å; F446-L458 HydrophobicContact CD1-CD1 4.46Å; F446-L458 HydrophobicContact CG-CD1 4.38Å; F446-Y471 HydrophobicContact CB-CE1 4.47Å; F446-Y471 HydrophobicContact CB-CE2 3.87Å; F446-I486 HydrophobicContact CB-CD1 4.33Å; F446-I486 HydrophobicContact CD1-CD1 4.16Å; F446-I486 HydrophobicContact CD2-CD1 3.62Å; F446-I486 HydrophobicContact CD2-CG2 4.5Å; F446-I486 HydrophobicContact CE1-CD1 4.4Å; F446-I486 HydrophobicContact CE2-CD1 3.9Å; F446-I486 HydrophobicContact CE2-CG2 3.75Å; F446-I486 HydrophobicContact CG-CD1 3.77Å; F446-I486 HydrophobicContact CZ-CD1 4.29Å; F446-I486 HydrophobicContact CZ-CG2 3.94Å; F446-Q488 HydrophobicContact CE2-CG 4.48Å; F446-L529 HydrophobicContact CE1-CD1 4.1Å; F446-L529 HydrophobicContact CZ-CD1 4.24Å; F446-T533 HydrophobicContact CZ-CG2 4.48Å
447	K	94.6	Very high	95.8	Very high	77 Å²	77	56.2 Å²	56.2	34%	0.335	28%	0.282	S	S	.	.			trans	-70.6	-29.2	-170.4	73.1	-168.4	179.2	-166.1	0	115.4	K286 E441 D442 S444 H449	K286-K447 PolarHBondContact NZ-O 3.18Å; E441-K447 VanDerWaalsContact O-CB 3.23Å; E441-K447 WeakPolarHBondContact O-CB 3.5Å; D442-K447 WeakPolarHBondContact O-CD 3.4Å; D442-K447 PolarHBondContact O-NZ 2.75Å; S444-K447 WeakPolarHBondContact O-CD 3.39Å; K447-H449 VanDerWaalsContact C-N 3.26Å; K447-H449 PolarHBondContact O-N 2.85Å
448	D	95.6	Very high	95.9	Very high	127 Å²	127	54.5 Å²	54.5	68%	0.679	28%	0.275	S	S	*	.	S	Bend	trans	-90.7	42.6	-172.4	-58.6	-56.1	0	0	0	112.7	F446 P450	F446-D448 PolarHBondContact O-N 3.41Å; D448-P450 VanDerWaalsContact C-CD 3.49Å
449	H	96.5	Very high	96.1	Very high	25 Å²	25	54 Å²	54	12%	0.116	27%	0.272	C	S	.	.			trans	51.4	45.4	172.6	-54.7	89.8	0	0	0	116.6	I279 S282 K286 K447 L457 L458 L459	I279-H449 HydrophobicContact CD1-CB 4.31Å; I279-H449 HydrophobicContact CG1-CB 3.95Å; S282-H449 WeakPolarHBondContact CB-NE2 3.35Å; S282-H449 PolarHBondContact OG-NE2 3.24Å; K286-H449 PolarHBondContact NZ-CE1 3.38Å; K286-H449 VanDerWaalsContact NZ-CE1 3.32Å; K286-H449 PolarHBondContact NZ-NE2 2.99Å; K447-H449 VanDerWaalsContact C-N 3.26Å; K447-H449 PolarHBondContact O-N 2.85Å; H449-L457 HydrophobicContact CB-CD1 4.47Å; H449-L457 WeakPolarHBondContact O-CD1 3.12Å; H449-L458 WeakPolarHBondContact CA-O 3.44Å; H449-L458 WeakPolarHBondContact CB-O 3.36Å; H449-L458 PolarHBondContact CD2-O 2.97Å; H449-L459 PolarHBondContact CD2-O 3.49Å; H449-L459 PolarHBondContact NE2-O 2.95Å
450	P	97.3	Very high	96.1	Very high	41 Å²	41	51.1 Å²	51.1	27%	0.266	26%	0.256	S	S	.	.			trans	-63.7	149.4	178.6	29	-35.3	0	0	0	111.6	F446 D448 L452 L458	F446-P450 HydrophobicContact CB-CG 4.32Å; F446-P450 HydrophobicContact CD1-CG 4.21Å; F446-P450 VanDerWaalsContact O-CD 3.25Å; F446-P450 WeakPolarHBondContact O-CD 3.45Å; D448-P450 VanDerWaalsContact C-CD 3.49Å; P450-L452 HydrophobicContact CB-CD2 4.41Å; P450-L452 HydrophobicContact CG-CD2 4.48Å; P450-L458 HydrophobicContact CG-CD1 3.94Å; P450-L458 HydrophobicContact CG-CG 4.34Å; P450-L458 PolarHBondContact O-N 3.19Å
451	T	97.3	Very high	96.2	Very high	45 Å²	45	49 Å²	49	28%	0.276	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.5	167.4	-52.3	0	0	0	0	109.1	K275 E454 Y456 L476	K275-T451 PolarHBondContact NZ-OG1 2.83Å; T451-E454 VanDerWaalsContact CG2-C 3.45Å; T451-Y456 CarbonylContact C-O 3.6Å; T451-Y456 WeakPolarHBondContact CA-O 3.26Å; T451-L476 HydrophobicContact CG2-CD1 3.68Å
452	L	97.3	Very high	96.1	Very high	14 Å²	14	52 Å²	52	7%	0.073	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	147.2	176.9	-56.7	-173.5	0	0	0	111.6	F446 P450 E454 R455 Y456 L458 V484 I486 F527 L529	F446-L452 HydrophobicContact CD1-CD2 4.46Å; F446-L452 HydrophobicContact CE1-CD2 4.42Å; P450-L452 HydrophobicContact CB-CD2 4.41Å; P450-L452 HydrophobicContact CG-CD2 4.48Å; L452-E454 PolarHBondContact O-N 3.09Å; L452-E454 VanDerWaalsContact O-N 3.07Å; L452-R455 PolarHBondContact O-N 3.3Å; L452-Y456 PolarHBondContact N-O 3.23Å; L452-Y456 PolarHBondContact O-N 3.05Å; L452-L458 HydrophobicContact CD1-CD1 3.9Å; L452-L458 HydrophobicContact CD1-CD2 4.14Å; L452-L458 HydrophobicContact CD1-CG 4.21Å; L452-L458 HydrophobicContact CG-CD1 4.15Å; L452-L458 HydrophobicContact CG-CD2 4.4Å; L452-L458 HydrophobicContact CG-CG 4.16Å; L452-V484 HydrophobicContact CD1-CG1 4.29Å; L452-I486 HydrophobicContact CD1-CD1 3.98Å; L452-I486 HydrophobicContact CD1-CG1 4.35Å; L452-F527 HydrophobicContact CB-CE2 3.97Å; L452-F527 HydrophobicContact CB-CZ 3.88Å; L452-F527 HydrophobicContact CD1-CZ 4.49Å; L452-L529 HydrophobicContact CB-CD2 4.48Å; L452-L529 HydrophobicContact CD1-CD1 4.12Å; L452-L529 HydrophobicContact CD2-CD1 4.04Å; L452-L529 HydrophobicContact CD2-CD2 4.12Å
453	N	96.4	Very high	96	Very high	83 Å²	83	50 Å²	50	44%	0.444	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	33.6	-177.5	-158.9	23.3	0	0	0	113.4	R455 Y456 F527	N453-R455 VanDerWaalsContact O-CB 3.31Å; N453-R455 WeakPolarHBondContact O-CB 3.06Å; N453-R455 PolarHBondContact O-N 3.03Å; N453-Y456 HydrophobicContact CB-CD2 4.11Å; N453-Y456 HydrophobicContact CB-CE2 4.34Å; N453-F527 HydrophobicContact CB-CD1 3.83Å; N453-F527 HydrophobicContact CB-CD2 3.89Å; N453-F527 HydrophobicContact CB-CE1 3.85Å; N453-F527 HydrophobicContact CB-CE2 3.91Å; N453-F527 HydrophobicContact CB-CG 3.86Å; N453-F527 HydrophobicContact CB-CZ 3.9Å
454	E	94.3	Very high	95.8	Very high	186 Å²	186	51 Å²	51	87%	0.869	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	0.2	-172.2	-56.5	-171	166.3	0	0	116.5	T451 L452	T451-E454 VanDerWaalsContact CG2-C 3.45Å; L452-E454 PolarHBondContact O-N 3.09Å; L452-E454 VanDerWaalsContact O-N 3.07Å
455	R	96.4	Very high	95.3	Very high	61 Å²	61	52.7 Å²	52.7	23%	0.23	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-33.7	-164.8	177.3	176.2	174.3	173.2	-0.1	114.4	L452 N453 D475 L476 E478	L452-R455 PolarHBondContact O-N 3.3Å; N453-R455 VanDerWaalsContact O-CB 3.31Å; N453-R455 WeakPolarHBondContact O-CB 3.06Å; N453-R455 PolarHBondContact O-N 3.03Å; R455-D475 WeakPolarHBondContact CG-OD1 3.35Å; R455-D475 IonicContact CZ-OD1 2.92Å; R455-D475 IonicContact CZ-OD2 2.7Å; R455-D475 VanDerWaalsContact NE-CG 3.32Å; R455-D475 IonicContact NE-OD1 2.79Å; R455-D475 PolarHBondContact NE-OD1 3.19Å; R455-D475 IonicContact NE-OD2 3.89Å; R455-D475 PolarHBondContact NE-OD2 3.29Å; R455-D475 VanDerWaalsContact NE-OD2 3.14Å; R455-D475 IonicContact NH2-OD1 3.36Å; R455-D475 IonicContact NH2-OD2 3.97Å; R455-D475 PolarHBondContact NH2-OD2 3.33Å; R455-L476 WeakPolarHBondContact O-CB 3.28Å; R455-L476 VanDerWaalsContact O-CD1 3.32Å; R455-L476 WeakPolarHBondContact O-CD1 3.48Å; R455-L476 VanDerWaalsContact O-CG 3.23Å; R455-L476 WeakPolarHBondContact O-CG 3.34Å; R455-L476 PolarHBondContact O-N 3.16Å; R455-E478 IonicContact NH2-OE1 3.09Å; R455-E478 PolarHBondContact NH2-OE1 3.11Å
456	Y	98.4	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	96.6	-171.4	-57.4	-68.3	0	0	0	110.7	T451 L452 N453 L458 D475 D525 F527 V537	T451-Y456 CarbonylContact C-O 3.6Å; T451-Y456 WeakPolarHBondContact CA-O 3.26Å; L452-Y456 PolarHBondContact N-O 3.23Å; L452-Y456 PolarHBondContact O-N 3.05Å; N453-Y456 HydrophobicContact CB-CD2 4.11Å; N453-Y456 HydrophobicContact CB-CE2 4.34Å; Y456-L458 PolarHBondContact O-N 2.94Å; Y456-D475 HydrophobicContact CD1-CB 4.09Å; Y456-D475 HydrophobicContact CE1-CB 3.93Å; Y456-D525 HydrophobicContact CE2-CB 4.42Å; Y456-D525 WeakPolarHBondContact CE2-OD2 3.26Å; Y456-D525 VanDerWaalsContact OH-CB 3.26Å; Y456-D525 WeakPolarHBondContact OH-CB 3.37Å; Y456-D525 PolarHBondContact OH-OD2 2.95Å; Y456-D525 VanDerWaalsContact OH-OD2 3.09Å; Y456-F527 HydrophobicContact CD2-CD1 4.45Å; Y456-F527 AromaticContact CD2-CE1 3.5Å; Y456-F527 HydrophobicContact CD2-CE1 3.5Å; Y456-F527 VanDerWaalsContact CD2-CE1 3.5Å; Y456-F527 AromaticContact CD2-CZ 3.92Å; Y456-F527 HydrophobicContact CD2-CZ 3.92Å; Y456-F527 HydrophobicContact CE2-CD1 4.19Å; Y456-F527 AromaticContact CE2-CE1 3.58Å; Y456-F527 HydrophobicContact CE2-CE1 3.58Å; Y456-F527 HydrophobicContact CE2-CZ 4.45Å; Y456-V537 HydrophobicContact CD1-CG1 4.11Å; Y456-V537 HydrophobicContact CD2-CG2 4.16Å; Y456-V537 HydrophobicContact CE1-CG1 3.75Å; Y456-V537 HydrophobicContact CE1-CG2 4.27Å; Y456-V537 HydrophobicContact CE2-CG2 3.89Å; Y456-V537 HydrophobicContact CG-CG2 4.45Å
457	L	98.4	Very high	94	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	112.5	174.4	175	67.5	0	0	0	109.5	K275 L278 I279 H449 L459 A473 F474 L476	K275-L457 HydrophobicContact CB-CD2 4.33Å; K275-L457 HydrophobicContact CG-CD2 4.25Å; L278-L457 HydrophobicContact CB-CD2 3.84Å; L278-L457 HydrophobicContact CD1-CD2 4.09Å; I279-L457 HydrophobicContact CD1-CD1 4.16Å; I279-L457 HydrophobicContact CG1-CD1 4.17Å; I279-L457 HydrophobicContact CG1-CD2 4.24Å; H449-L457 HydrophobicContact CB-CD1 4.47Å; H449-L457 WeakPolarHBondContact O-CD1 3.12Å; L457-L459 HydrophobicContact CD2-CD2 4.01Å; L457-L459 HydrophobicContact CG-CD2 4.06Å; L457-A473 CarbonylContact O-C 3.5Å; L457-A473 WeakPolarHBondContact O-CA 3.43Å; L457-A473 WeakPolarHBondContact O-CB 3.32Å; L457-F474 PolarHBondContact N-O 2.62Å; L457-F474 PolarHBondContact O-N 2.64Å; L457-L476 HydrophobicContact CB-CD1 4.31Å; L457-L476 HydrophobicContact CB-CD2 4.3Å; L457-L476 HydrophobicContact CB-CG 4.35Å
458	L	98.5	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.1	174.1	-56.2	-168.8	0	0	0	111	F446 H449 P450 L452 Y456 Y471 A473 V484 I486	F446-L458 HydrophobicContact CB-CD1 3.89Å; F446-L458 HydrophobicContact CD1-CD1 4.46Å; F446-L458 HydrophobicContact CG-CD1 4.38Å; H449-L458 WeakPolarHBondContact CA-O 3.44Å; H449-L458 WeakPolarHBondContact CB-O 3.36Å; H449-L458 PolarHBondContact CD2-O 2.97Å; P450-L458 HydrophobicContact CG-CD1 3.94Å; P450-L458 HydrophobicContact CG-CG 4.34Å; P450-L458 PolarHBondContact O-N 3.19Å; L452-L458 HydrophobicContact CD1-CD1 3.9Å; L452-L458 HydrophobicContact CD1-CD2 4.14Å; L452-L458 HydrophobicContact CD1-CG 4.21Å; L452-L458 HydrophobicContact CG-CD1 4.15Å; L452-L458 HydrophobicContact CG-CD2 4.4Å; L452-L458 HydrophobicContact CG-CG 4.16Å; Y456-L458 PolarHBondContact O-N 2.94Å; L458-Y471 HydrophobicContact CB-CD1 4.23Å; L458-Y471 HydrophobicContact CD1-CD1 4.25Å; L458-Y471 HydrophobicContact CD1-CD2 4.25Å; L458-Y471 HydrophobicContact CD1-CG 4Å; L458-A473 HydrophobicContact CD2-CB 3.8Å; L458-V484 HydrophobicContact CD2-CB 4Å; L458-V484 HydrophobicContact CD2-CG1 4.34Å; L458-V484 HydrophobicContact CD2-CG2 4.04Å; L458-I486 HydrophobicContact CD1-CD1 3.88Å
459	L	97.9	Very high	93.8	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-71.3	-176.6	-56.7	178	0	0	0	111.4	L278 S282 K286 H449 L457 K472 Y481	L278-L459 HydrophobicContact CB-CD2 4.1Å; S282-L459 VanDerWaalsContact OG-C 3.32Å; S282-L459 PolarHBondContact OG-O 2.9Å; K286-L459 WeakPolarHBondContact CE-O 3.36Å; K286-L459 PolarHBondContact NZ-O 2.9Å; H449-L459 PolarHBondContact CD2-O 3.49Å; H449-L459 PolarHBondContact NE2-O 2.95Å; L457-L459 HydrophobicContact CD2-CD2 4.01Å; L457-L459 HydrophobicContact CG-CD2 4.06Å; L459-K472 WeakPolarHBondContact CB-O 3.3Å; L459-K472 HydrophobicContact CD1-CG 4.42Å; L459-K472 PolarHBondContact N-O 3.46Å; L459-Y481 HydrophobicContact CD1-CD1 4.1Å; L459-Y481 HydrophobicContact CD1-CE1 3.68Å
460	H	96	Very high	93.8	Very high	29 Å²	29	42.1 Å²	42.1	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.3	-179.5	57.3	-121.6	0	0	0	111.4	E285 K286 E441 L462 Y471 K472	E285-H460 IonicContact OE2-CE1 3.38Å; E285-H460 PolarHBondContact OE2-CE1 2.83Å; E285-H460 IonicContact OE2-ND1 3.14Å; E285-H460 PolarHBondContact OE2-ND1 3.01Å; K286-H460 HydrophobicContact CG-CB 4.45Å; E441-H460 WeakPolarHBondContact OE1-CB 3.49Å; H460-L462 PolarHBondContact O-N 3.02Å; H460-Y471 VanDerWaalsContact C-CD1 3.48Å; H460-Y471 WeakPolarHBondContact O-CA 3.18Å; H460-Y471 WeakPolarHBondContact O-CD1 3.37Å; H460-K472 WeakPolarHBondContact NE2-CD 3.27Å; H460-K472 PolarHBondContact O-N 3.42Å
461	L	96.8	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	125.9	178.9	-176	73.2	0	0	0	109.5	R437 N440 E441 G463 E469 Y471	R437-L461 VanDerWaalsContact CD-O 3.26Å; R437-L461 WeakPolarHBondContact CD-O 3.36Å; R437-L461 PolarHBondContact NH1-O 2.79Å; N440-L461 HydrophobicContact CB-CD2 3.55Å; E441-L461 HydrophobicContact CB-CB 3.91Å; E441-L461 HydrophobicContact CB-CD2 4.15Å; E441-L461 HydrophobicContact CG-CB 4.1Å; E441-L461 PolarHBondContact OE1-N 3.42Å; L461-G463 WeakPolarHBondContact CD1-O 3.4Å; L461-E469 HydrophobicContact CD1-CB 3.85Å; L461-E469 HydrophobicContact CD1-CG 4.28Å; L461-Y471 HydrophobicContact CB-CD1 4.46Å; L461-Y471 HydrophobicContact CB-CE1 4Å; L461-Y471 HydrophobicContact CD1-CD2 3.91Å; L461-Y471 HydrophobicContact CD1-CE1 4.36Å; L461-Y471 HydrophobicContact CD1-CE2 3.5Å; L461-Y471 HydrophobicContact CD1-CG 4.47Å
462	L	94.2	Very high	93.9	Very high	65 Å²	65	39 Å²	39	34%	0.34	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-41.8	171.6	-64.4	170.9	0	0	0	110.9	H460 V470 K472 A483 Y540	H460-L462 PolarHBondContact O-N 3.02Å; L462-V470 WeakPolarHBondContact CA-O 3.5Å; L462-V470 WeakPolarHBondContact CB-O 3.33Å; L462-V470 HydrophobicContact CD1-CG1 4.31Å; L462-V470 PolarHBondContact N-O 2.92Å; L462-K472 HydrophobicContact CD1-CB 4.11Å; L462-K472 HydrophobicContact CD2-CB 4.11Å; L462-K472 HydrophobicContact CG-CB 4.07Å; L462-A483 HydrophobicContact CD1-CB 4.42Å; L462-Y540 HydrophobicContact CD1-CD2 4.04Å; L462-Y540 HydrophobicContact CD1-CE2 3.84Å; L462-Y540 HydrophobicContact CD2-CE2 4.1Å
463	G	91.9	Very high	94	Very high	27 Å²	27	38.3 Å²	38.3	28%	0.278	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	166.1	178.4	0	0	0	0	0	113.7	L461 V470	L461-G463 WeakPolarHBondContact CD1-O 3.4Å; G463-V470 PolarHBondContact N-O 3.12Å; G463-V470 PolarHBondContact O-N 2.96Å
464	R	90.9	Very high	94	Very high	126 Å²	126	35.7 Å²	35.7	48%	0.475	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.2	177.9	-176.6	166.8	-178.4	160.2	-7.4	109.8	N440 S468 E469	N440-R464 HydrophobicContact CB-CB 4.26Å; R464-S468 CarbonylContact C-O 3.45Å; R464-E469 HydrophobicContact CB-CG 4.31Å; R464-E469 WeakPolarHBondContact CD-OE1 3.49Å; R464-E469 HydrophobicContact CG-CG 3.87Å; R464-E469 IonicContact CZ-OE1 3.21Å; R464-E469 IonicContact NE-OE1 3.41Å; R464-E469 PolarHBondContact NE-OE1 3.14Å; R464-E469 IonicContact NH1-OE1 2.75Å; R464-E469 PolarHBondContact NH1-OE1 3.38Å
465	G	83	Confident	94.2	Very high	42 Å²	42	26.9 Å²	26.9	43%	0.433	16%	0.157	S	C	.	.			trans	-90.2	-169.1	169.4	0	0	0	0	0	111.5	S468	G465-S468 PolarHBondContact N-O 3.46Å
466	G	79.3	Confident	94.2	Very high	57 Å²	57	24.6 Å²	24.6	59%	0.588	15%	0.15	S	C	*	.	S	Bend	trans	-64.7	-39.3	-179.4	0	0	0	0	0	114.1
467	F	83.9	Confident	94	Very high	37 Å²	37	33.1 Å²	33.1	16%	0.162	18%	0.183	C	C	.	.	S	Bend	trans	-132.3	18.8	-176.3	-51.8	-67.5	0	0	0	112.7	L63 F67 Q488 W493 Y501	L63-F467 HydrophobicContact CB-CE2 4.01Å; L63-F467 HydrophobicContact CB-CZ 4.07Å; L63-F467 HydrophobicContact CD1-CE2 4.4Å; L63-F467 HydrophobicContact CD1-CZ 4.27Å; L63-F467 HydrophobicContact CD2-CE2 4.33Å; L63-F467 HydrophobicContact CG-CE2 4.49Å; F67-F467 HydrophobicContact CE2-CD2 4.2Å; F67-F467 AromaticContact CE2-CE2 3.95Å; F67-F467 HydrophobicContact CE2-CE2 3.95Å; F467-Q488 PolarHBondContact O-N 2.84Å; F467-W493 AromaticContact CD1-CH2 3.91Å; F467-W493 HydrophobicContact CD1-CH2 3.91Å; F467-W493 HydrophobicContact CD1-CZ2 4.11Å; F467-W493 AromaticContact CE1-CH2 3.67Å; F467-W493 HydrophobicContact CE1-CH2 3.67Å; F467-W493 AromaticContact CE1-CZ2 3.51Å; F467-W493 HydrophobicContact CE1-CZ2 3.51Å; F467-W493 HydrophobicContact CE2-CH2 4.3Å; F467-W493 HydrophobicContact CG-CH2 4.34Å; F467-W493 AromaticContact CZ-CH2 3.88Å; F467-W493 HydrophobicContact CZ-CH2 3.88Å; F467-W493 AromaticContact CZ-CZ2 3.85Å; F467-W493 HydrophobicContact CZ-CZ2 3.85Å; F467-Y501 HydrophobicContact CB-CE2 4.31Å; F467-Y501 HydrophobicContact CD2-CE2 4Å; F467-Y501 HydrophobicContact CG-CE2 4.36Å
468	S	91.1	Very high	93.9	Very high	22 Å²	22	37.6 Å²	37.6	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.5	-177	58.4	0	0	0	0	113.6	R464 G465 I486	R464-S468 CarbonylContact C-O 3.45Å; G465-S468 PolarHBondContact N-O 3.46Å; S468-I486 CarbonylContact C-O 3.59Å; S468-I486 WeakPolarHBondContact CA-O 3.5Å; S468-I486 VanDerWaalsContact CB-O 3.28Å; S468-I486 WeakPolarHBondContact CB-O 3.39Å
469	E	95.2	Very high	93.8	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.2	173.6	-70.4	-179.8	159.3	0	0	108.7	S444 L461 R464 Y471 I486 Q488	S444-E469 WeakPolarHBondContact CB-OE2 3.43Å; S444-E469 PolarHBondContact OG-OE2 3.1Å; L461-E469 HydrophobicContact CD1-CB 3.85Å; L461-E469 HydrophobicContact CD1-CG 4.28Å; R464-E469 HydrophobicContact CB-CG 4.31Å; R464-E469 WeakPolarHBondContact CD-OE1 3.49Å; R464-E469 HydrophobicContact CG-CG 3.87Å; R464-E469 IonicContact CZ-OE1 3.21Å; R464-E469 IonicContact NE-OE1 3.41Å; R464-E469 PolarHBondContact NE-OE1 3.14Å; R464-E469 IonicContact NH1-OE1 2.75Å; R464-E469 PolarHBondContact NH1-OE1 3.38Å; E469-Y471 HydrophobicContact CB-CD2 4.34Å; E469-Y471 HydrophobicContact CB-CE2 3.98Å; E469-I486 PolarHBondContact N-O 3.42Å; E469-I486 PolarHBondContact O-N 2.73Å; E469-Q488 PolarHBondContact OE2-NE2 3.08Å
470	V	96.1	Very high	93.7	Very high	40 Å²	40	47.2 Å²	47.2	24%	0.242	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.3	179.2	-170.7	0	0	0	0	108.7	L462 G463 A483 V484 K485	L462-V470 WeakPolarHBondContact CA-O 3.5Å; L462-V470 WeakPolarHBondContact CB-O 3.33Å; L462-V470 HydrophobicContact CD1-CG1 4.31Å; L462-V470 PolarHBondContact N-O 2.92Å; G463-V470 PolarHBondContact N-O 3.12Å; G463-V470 PolarHBondContact O-N 2.96Å; V470-A483 HydrophobicContact CG1-CB 4.2Å; V470-V484 WeakPolarHBondContact CA-O 3.46Å; V470-K485 HydrophobicContact CG2-CB 4.18Å; V470-K485 HydrophobicContact CG2-CG 4.16Å
471	Y	98.1	Very high	93.8	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.1	179.8	-84	-94.8	0	0	0	111.5	S444 F446 L458 H460 L461 E469 A473 A483 V484 I486	S444-Y471 WeakPolarHBondContact CB-OH 3.49Å; S444-Y471 PolarHBondContact OG-OH 2.83Å; F446-Y471 HydrophobicContact CB-CE1 4.47Å; F446-Y471 HydrophobicContact CB-CE2 3.87Å; L458-Y471 HydrophobicContact CB-CD1 4.23Å; L458-Y471 HydrophobicContact CD1-CD1 4.25Å; L458-Y471 HydrophobicContact CD1-CD2 4.25Å; L458-Y471 HydrophobicContact CD1-CG 4Å; H460-Y471 VanDerWaalsContact C-CD1 3.48Å; H460-Y471 WeakPolarHBondContact O-CA 3.18Å; H460-Y471 WeakPolarHBondContact O-CD1 3.37Å; L461-Y471 HydrophobicContact CB-CD1 4.46Å; L461-Y471 HydrophobicContact CB-CE1 4Å; L461-Y471 HydrophobicContact CD1-CD2 3.91Å; L461-Y471 HydrophobicContact CD1-CE1 4.36Å; L461-Y471 HydrophobicContact CD1-CE2 3.5Å; L461-Y471 HydrophobicContact CD1-CG 4.47Å; E469-Y471 HydrophobicContact CB-CD2 4.34Å; E469-Y471 HydrophobicContact CB-CE2 3.98Å; Y471-A473 PolarHBondContact O-N 3.04Å; Y471-A483 CarbonylContact O-C 3.57Å; Y471-A483 WeakPolarHBondContact O-CA 3.41Å; Y471-V484 PolarHBondContact N-O 3.37Å; Y471-V484 PolarHBondContact O-N 2.85Å; Y471-I486 HydrophobicContact CD2-CD1 3.84Å; Y471-I486 HydrophobicContact CE2-CD1 4.22Å
472	K	97.9	Very high	93.9	Very high	18 Å²	18	49 Å²	49	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.2	158.2	-171.1	175.6	-173.8	159.1	0	107	L459 H460 L462 Y481 Y540	L459-K472 WeakPolarHBondContact CB-O 3.3Å; L459-K472 HydrophobicContact CD1-CG 4.42Å; L459-K472 PolarHBondContact N-O 3.46Å; H460-K472 WeakPolarHBondContact NE2-CD 3.27Å; H460-K472 PolarHBondContact O-N 3.42Å; L462-K472 HydrophobicContact CD1-CB 4.11Å; L462-K472 HydrophobicContact CD2-CB 4.11Å; L462-K472 HydrophobicContact CG-CB 4.07Å; K472-Y481 HydrophobicContact CG-CD1 4.41Å; K472-Y540 HydrophobicContact CB-CE2 4.43Å; K472-Y540 HydrophobicContact CD-CE1 4.05Å; K472-Y540 HydrophobicContact CD-CE2 3.98Å; K472-Y540 VanDerWaalsContact CE-CZ 3.42Å; K472-Y540 HydrophobicContact CG-CD2 4.24Å; K472-Y540 HydrophobicContact CG-CE1 4.49Å; K472-Y540 HydrophobicContact CG-CE2 3.98Å; K472-Y540 VanDerWaalsContact NZ-CZ 3.31Å; K472-Y540 PolarHBondContact NZ-OH 3.05Å
473	A	98.5	Very high	94	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	166.4	179.1	0	0	0	0	0	110.9	L457 L458 Y471 Y481 A482 V484	L457-A473 CarbonylContact O-C 3.5Å; L457-A473 WeakPolarHBondContact O-CA 3.43Å; L457-A473 WeakPolarHBondContact O-CB 3.32Å; L458-A473 HydrophobicContact CD2-CB 3.8Å; Y471-A473 PolarHBondContact O-N 3.04Å; A473-Y481 WeakPolarHBondContact O-CA 3.45Å; A473-A482 PolarHBondContact N-O 3.41Å; A473-A482 PolarHBondContact O-N 3.43Å; A473-V484 HydrophobicContact CB-CB 4.46Å; A473-V484 HydrophobicContact CB-CG2 3.53Å
474	F	98.4	Very high	94.3	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.127	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	168.7	-167	-94.5	0	0	0	109.7	L278 L457 L476 Q479 Y481	L278-F474 HydrophobicContact CD1-CB 3.84Å; L278-F474 HydrophobicContact CD1-CD1 3.5Å; L278-F474 HydrophobicContact CD1-CD2 4.06Å; L278-F474 HydrophobicContact CD1-CE1 4Å; L278-F474 HydrophobicContact CD1-CG 3.52Å; L278-F474 HydrophobicContact CD1-CZ 4.47Å; L278-F474 HydrophobicContact CD2-CD2 4.28Å; L278-F474 HydrophobicContact CD2-CG 4.46Å; L457-F474 PolarHBondContact N-O 2.62Å; L457-F474 PolarHBondContact O-N 2.64Å; F474-L476 HydrophobicContact CD1-CD2 4.13Å; F474-L476 PolarHBondContact O-N 3.15Å; F474-Q479 HydrophobicContact CE1-CB 4.42Å; F474-Q479 HydrophobicContact CZ-CB 4.12Å; F474-Q479 WeakPolarHBondContact CZ-O 3.41Å; F474-Y481 AromaticContact CD2-CD1 3.85Å; F474-Y481 HydrophobicContact CD2-CD1 3.85Å; F474-Y481 AromaticContact CD2-CE1 3.83Å; F474-Y481 HydrophobicContact CD2-CE1 3.83Å; F474-Y481 HydrophobicContact CD2-CG 4.28Å
475	D	98.1	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	108	170.5	-174.8	-22.6	0	0	0	108.2	R455 Y456 Y477 E478 Q479 R480	R455-D475 WeakPolarHBondContact CG-OD1 3.35Å; R455-D475 IonicContact CZ-OD1 2.92Å; R455-D475 IonicContact CZ-OD2 2.7Å; R455-D475 VanDerWaalsContact NE-CG 3.32Å; R455-D475 IonicContact NE-OD1 2.79Å; R455-D475 PolarHBondContact NE-OD1 3.19Å; R455-D475 IonicContact NE-OD2 3.89Å; R455-D475 PolarHBondContact NE-OD2 3.29Å; R455-D475 VanDerWaalsContact NE-OD2 3.14Å; R455-D475 IonicContact NH2-OD1 3.36Å; R455-D475 IonicContact NH2-OD2 3.97Å; R455-D475 PolarHBondContact NH2-OD2 3.33Å; Y456-D475 HydrophobicContact CD1-CB 4.09Å; Y456-D475 HydrophobicContact CE1-CB 3.93Å; D475-Y477 PolarHBondContact O-N 2.96Å; D475-Y477 WeakPolarHBondContact OD1-CB 3.32Å; D475-Y477 PolarHBondContact OD1-N 2.83Å; D475-E478 HydrophobicContact CB-CB 4.34Å; D475-E478 PolarHBondContact OD1-N 3.29Å; D475-E478 WeakPolarHBondContact OD2-CG 3.49Å; D475-Q479 WeakPolarHBondContact O-CA 3.38Å; D475-Q479 PolarHBondContact O-N 3.36Å; D475-R480 HydrophobicContact CB-CG 4.13Å; D475-R480 PolarHBondContact N-O 2.76Å; D475-R480 PolarHBondContact O-N 3.03Å
476	L	96.3	Very high	95.1	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.9	-176.3	-60.9	159.8	0	0	0	113	I271 K275 T451 R455 L457 F474	I271-L476 HydrophobicContact CG2-CD2 4.34Å; K275-L476 HydrophobicContact CD-CD1 4.43Å; K275-L476 HydrophobicContact CG-CD1 4.41Å; K275-L476 HydrophobicContact CG-CD2 3.74Å; T451-L476 HydrophobicContact CG2-CD1 3.68Å; R455-L476 WeakPolarHBondContact O-CB 3.28Å; R455-L476 VanDerWaalsContact O-CD1 3.32Å; R455-L476 WeakPolarHBondContact O-CD1 3.48Å; R455-L476 VanDerWaalsContact O-CG 3.23Å; R455-L476 WeakPolarHBondContact O-CG 3.34Å; R455-L476 PolarHBondContact O-N 3.16Å; L457-L476 HydrophobicContact CB-CD1 4.31Å; L457-L476 HydrophobicContact CB-CD2 4.3Å; L457-L476 HydrophobicContact CB-CG 4.35Å; F474-L476 HydrophobicContact CD1-CD2 4.13Å; F474-L476 PolarHBondContact O-N 3.15Å
477	Y	94.3	Very high	95.8	Very high	179 Å²	179	35.8 Å²	35.8	70%	0.702	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-52.3	179.9	-171.7	-94.9	0	0	0	110.8	D475 Q479	D475-Y477 PolarHBondContact O-N 2.96Å; D475-Y477 WeakPolarHBondContact OD1-CB 3.32Å; D475-Y477 PolarHBondContact OD1-N 2.83Å; Y477-Q479 VanDerWaalsContact C-N 3.32Å
478	E	96.3	Very high	96.1	Very high	94 Å²	94	36.4 Å²	36.4	44%	0.439	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.6	179.9	-53.2	-73.8	169.1	0	0	113.3	R455 D475 R480	R455-E478 IonicContact NH2-OE1 3.09Å; R455-E478 PolarHBondContact NH2-OE1 3.11Å; D475-E478 HydrophobicContact CB-CB 4.34Å; D475-E478 PolarHBondContact OD1-N 3.29Å; D475-E478 WeakPolarHBondContact OD2-CG 3.49Å; E478-R480 HydrophobicContact CB-CG 3.95Å; E478-R480 PolarHBondContact O-N 3.43Å
479	Q	95.1	Very high	95.9	Very high	130 Å²	130	36 Å²	36	61%	0.607	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	42.3	-179.8	-55.1	-170.4	-6	0	0	114.4	F474 D475 Y477	F474-Q479 HydrophobicContact CE1-CB 4.42Å; F474-Q479 HydrophobicContact CZ-CB 4.12Å; F474-Q479 WeakPolarHBondContact CZ-O 3.41Å; D475-Q479 WeakPolarHBondContact O-CA 3.38Å; D475-Q479 PolarHBondContact O-N 3.36Å; Y477-Q479 VanDerWaalsContact C-N 3.32Å
480	R	96.8	Very high	95.4	Very high	79 Å²	79	39.2 Å²	39.2	30%	0.298	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.8	-178.4	67.4	-173.3	172.8	-170.4	-6.3	112.7	D475 E478	D475-R480 HydrophobicContact CB-CG 4.13Å; D475-R480 PolarHBondContact N-O 2.76Å; D475-R480 PolarHBondContact O-N 3.03Å; E478-R480 HydrophobicContact CB-CG 3.95Å; E478-R480 PolarHBondContact O-N 3.43Å
481	Y	97.9	Very high	94.9	Very high	67 Å²	67	44.7 Å²	44.7	26%	0.263	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.9	167.7	-67.8	-69.9	0	0	0	111.2	L278 L459 K472 A473 F474 Y540	L278-Y481 HydrophobicContact CD2-CE1 4.32Å; L459-Y481 HydrophobicContact CD1-CD1 4.1Å; L459-Y481 HydrophobicContact CD1-CE1 3.68Å; K472-Y481 HydrophobicContact CG-CD1 4.41Å; A473-Y481 WeakPolarHBondContact O-CA 3.45Å; F474-Y481 AromaticContact CD2-CD1 3.85Å; F474-Y481 HydrophobicContact CD2-CD1 3.85Å; F474-Y481 AromaticContact CD2-CE1 3.83Å; F474-Y481 HydrophobicContact CD2-CE1 3.83Å; F474-Y481 HydrophobicContact CD2-CG 4.28Å; Y481-Y540 HydrophobicContact CG-CD1 4.48Å
482	A	98.3	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	159.1	177.1	0	0	0	0	0	110.3	A473 Y524 V537 L538	A473-A482 PolarHBondContact N-O 3.41Å; A473-A482 PolarHBondContact O-N 3.43Å; A482-Y524 HydrophobicContact CB-CD2 4.47Å; A482-V537 HydrophobicContact CB-CG1 3.74Å; A482-L538 WeakPolarHBondContact CA-O 3.39Å
483	A	97.9	Very high	93.7	Very high	10 Å²	10	49.2 Å²	49.2	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.3	171.2	0	0	0	0	0	108.9	L462 V470 Y471 L538 Y540	L462-A483 HydrophobicContact CD1-CB 4.42Å; V470-A483 HydrophobicContact CG1-CB 4.2Å; Y471-A483 CarbonylContact O-C 3.57Å; Y471-A483 WeakPolarHBondContact O-CA 3.41Å; A483-L538 HydrophobicContact CB-CB 4.25Å; A483-L538 PolarHBondContact N-O 2.92Å; A483-L538 WeakPolarHBondContact O-CB 3.44Å; A483-L538 PolarHBondContact O-N 3.13Å; A483-Y540 HydrophobicContact CB-CD2 4.49Å
484	V	97.9	Very high	93.2	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	110.5	179.9	-177.8	0	0	0	0	108.7	L452 L458 V470 Y471 A473 I486 C535 V537	L452-V484 HydrophobicContact CD1-CG1 4.29Å; L458-V484 HydrophobicContact CD2-CB 4Å; L458-V484 HydrophobicContact CD2-CG1 4.34Å; L458-V484 HydrophobicContact CD2-CG2 4.04Å; V470-V484 WeakPolarHBondContact CA-O 3.46Å; Y471-V484 PolarHBondContact N-O 3.37Å; Y471-V484 PolarHBondContact O-N 2.85Å; A473-V484 HydrophobicContact CB-CB 4.46Å; A473-V484 HydrophobicContact CB-CG2 3.53Å; V484-I486 HydrophobicContact CG1-CG1 3.97Å; V484-C535 HydrophobicContact CG1-CB 4.1Å; V484-V537 HydrophobicContact CG2-CG1 4.34Å; V484-V537 HydrophobicContact CG2-CG2 4.29Å
485	K	95.2	Very high	92.7	Very high	25 Å²	25	62.5 Å²	62.5	11%	0.109	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	101.8	176	176.5	-175.2	178.5	-174.6	0	107.7	V470 H487 E508 C535 T536 L538 D607	V470-K485 HydrophobicContact CG2-CB 4.18Å; V470-K485 HydrophobicContact CG2-CG 4.16Å; K485-H487 VanDerWaalsContact CE-CE1 3.49Å; K485-H487 WeakPolarHBondContact CE-CE1 3.48Å; K485-H487 WeakPolarHBondContact CE-NE2 3.49Å; K485-H487 PolarHBondContact O-CD2 3.04Å; K485-E508 IonicContact NZ-OE1 2.86Å; K485-E508 PolarHBondContact NZ-OE1 2.85Å; K485-E508 IonicContact NZ-OE2 2.57Å; K485-E508 PolarHBondContact NZ-OE2 2.72Å; K485-C535 WeakPolarHBondContact O-CA 3.45Å; K485-T536 WeakPolarHBondContact CB-OG1 3.35Å; K485-T536 PolarHBondContact N-O 3.03Å; K485-T536 PolarHBondContact O-N 3.49Å; K485-L538 HydrophobicContact CB-CD1 4.3Å; K485-L538 HydrophobicContact CD-CD1 4.4Å; K485-D607 IonicContact NZ-OD1 3.68Å
486	I	95.5	Very high	92.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113.2	-179.9	-48.8	174.4	0	0	0	107.8	F446 L452 L458 S468 E469 Y471 V484 Q488 T533	F446-I486 HydrophobicContact CB-CD1 4.33Å; F446-I486 HydrophobicContact CD1-CD1 4.16Å; F446-I486 HydrophobicContact CD2-CD1 3.62Å; F446-I486 HydrophobicContact CD2-CG2 4.5Å; F446-I486 HydrophobicContact CE1-CD1 4.4Å; F446-I486 HydrophobicContact CE2-CD1 3.9Å; F446-I486 HydrophobicContact CE2-CG2 3.75Å; F446-I486 HydrophobicContact CG-CD1 3.77Å; F446-I486 HydrophobicContact CZ-CD1 4.29Å; F446-I486 HydrophobicContact CZ-CG2 3.94Å; L452-I486 HydrophobicContact CD1-CD1 3.98Å; L452-I486 HydrophobicContact CD1-CG1 4.35Å; L458-I486 HydrophobicContact CD1-CD1 3.88Å; S468-I486 CarbonylContact C-O 3.59Å; S468-I486 WeakPolarHBondContact CA-O 3.5Å; S468-I486 VanDerWaalsContact CB-O 3.28Å; S468-I486 WeakPolarHBondContact CB-O 3.39Å; E469-I486 PolarHBondContact N-O 3.42Å; E469-I486 PolarHBondContact O-N 2.73Å; Y471-I486 HydrophobicContact CD2-CD1 3.84Å; Y471-I486 HydrophobicContact CE2-CD1 4.22Å; V484-I486 HydrophobicContact CG1-CG1 3.97Å; I486-Q488 HydrophobicContact CG2-CG 4.25Å; I486-T533 HydrophobicContact CG2-CG2 3.84Å
487	H	92.4	Very high	91.6	Very high	3 Å²	3	69.9 Å²	69.9	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.6	174.1	-61.3	-116.3	0	0	0	109	K485 Y501 T533 F534	K485-H487 VanDerWaalsContact CE-CE1 3.49Å; K485-H487 WeakPolarHBondContact CE-CE1 3.48Å; K485-H487 WeakPolarHBondContact CE-NE2 3.49Å; K485-H487 PolarHBondContact O-CD2 3.04Å; H487-Y501 AromaticContact ND1-CE1 3.94Å; H487-Y501 PolarHBondContact ND1-OH 2.86Å; H487-T533 WeakPolarHBondContact O-CA 3.47Å; H487-F534 HydrophobicContact CB-CD1 4.26Å; H487-F534 HydrophobicContact CB-CD2 4Å; H487-F534 HydrophobicContact CB-CE1 3.83Å; H487-F534 HydrophobicContact CB-CE2 3.52Å; H487-F534 HydrophobicContact CB-CG 4.34Å; H487-F534 HydrophobicContact CB-CZ 3.43Å; H487-F534 VanDerWaalsContact CB-CZ 3.43Å; H487-F534 AromaticContact CD2-CD2 3.95Å; H487-F534 AromaticContact CD2-CE2 3.46Å; H487-F534 VanDerWaalsContact CD2-CE2 3.46Å; H487-F534 WeakPolarHBondContact CD2-CE2 3.47Å; H487-F534 AromaticContact CG-CE2 3.35Å; H487-F534 AromaticContact CG-CZ 3.58Å; H487-F534 PolarHBondContact N-O 2.94Å; H487-F534 AromaticContact ND1-CE2 3.77Å; H487-F534 AromaticContact ND1-CZ 3.81Å; H487-F534 AromaticContact NE2-CE2 3.95Å; H487-F534 PolarHBondContact O-N 2.94Å; H487-F534 VanDerWaalsContact O-N 3.17Å
488	Q	90.3	Very high	91.2	Very high	51 Å²	51	62.7 Å²	62.7	24%	0.238	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	108.9	-179.3	-72.2	171.2	84	0	0	108.4	F446 F467 E469 I486 T533	F446-Q488 HydrophobicContact CE2-CG 4.48Å; F467-Q488 PolarHBondContact O-N 2.84Å; E469-Q488 PolarHBondContact OE2-NE2 3.08Å; I486-Q488 HydrophobicContact CG2-CG 4.25Å; Q488-T533 HydrophobicContact CG-CG2 4.06Å
489	L	87.2	Confident	90.7	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	30%	0.296	C	S	.	.			trans	-75.4	147.1	176.4	-55.1	-175.4	0	0	0	110.1	K491 W493 K498 Y501 D532 F534	L489-K491 PolarHBondContact O-N 3.31Å; L489-W493 HydrophobicContact CD2-CZ3 4.37Å; L489-K498 HydrophobicContact CD1-CB 3.99Å; L489-K498 HydrophobicContact CD1-CG 4.27Å; L489-Y501 HydrophobicContact CD2-CD1 3.26Å; L489-Y501 HydrophobicContact CD2-CD2 4.36Å; L489-Y501 HydrophobicContact CD2-CE1 3.65Å; L489-Y501 HydrophobicContact CD2-CG 3.66Å; L489-D532 HydrophobicContact CB-CB 4.24Å; L489-D532 WeakPolarHBondContact CB-O 3.31Å; L489-D532 VanDerWaalsContact CG-O 3.29Å; L489-D532 WeakPolarHBondContact CG-O 3.45Å; L489-D532 PolarHBondContact N-O 2.99Å; L489-F534 HydrophobicContact CD2-CE1 4.47Å
490	N	85.9	Confident	90.1	Very high	71 Å²	71	60.1 Å²	60.1	38%	0.38	28%	0.283	S	S	.	.			trans	-72	121.5	172.5	-173	-15.3	0	0	0	109.3	S492 W493 K498	N490-S492 PolarHBondContact ND2-OG 3.02Å; N490-S492 PolarHBondContact O-N 3.34Å; N490-S492 VanDerWaalsContact O-N 3.13Å; N490-S492 PolarHBondContact OD1-N 2.94Å; N490-S492 VanDerWaalsContact OD1-N 3.1Å; N490-S492 PolarHBondContact OD1-OG 2.93Å; N490-W493 HydrophobicContact CB-CD2 4.01Å; N490-W493 HydrophobicContact CB-CG 3.98Å; N490-W493 HydrophobicContact CB-CZ2 4.46Å; N490-W493 WeakPolarHBondContact O-CB 3.37Å; N490-W493 PolarHBondContact O-N 3.18Å; N490-K498 WeakPolarHBondContact O-CE 3.35Å
491	K	84.2	Confident	89.5	Confident	154 Å²	154	57.2 Å²	57.2	67%	0.67	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.4	-178.6	-57.5	-165.4	172.6	-177.1	0	113.1	L489 W493 K498 D532	L489-K491 PolarHBondContact O-N 3.31Å; K491-W493 VanDerWaalsContact C-N 3.35Å; K491-K498 PolarHBondContact O-NZ 3.5Å; K491-D532 WeakPolarHBondContact CG-OD2 3.13Å
492	S	86.8	Confident	88.7	Confident	96 Å²	96	57.2 Å²	57.2	67%	0.671	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.3	178.6	71.1	0	0	0	0	115.1	N490	N490-S492 PolarHBondContact ND2-OG 3.02Å; N490-S492 PolarHBondContact O-N 3.34Å; N490-S492 VanDerWaalsContact O-N 3.13Å; N490-S492 PolarHBondContact OD1-N 2.94Å; N490-S492 VanDerWaalsContact OD1-N 3.1Å; N490-S492 PolarHBondContact OD1-OG 2.93Å
493	W	84.7	Confident	88	Confident	19 Å²	19	62.2 Å²	62.2	7%	0.072	30%	0.297	C	S	.	.	S	Bend	trans	-69.4	143	172.9	-72.8	-0.8	0	0	0	111.2	F467 L489 N490 K491 K497 K498 Y501	F467-W493 AromaticContact CD1-CH2 3.91Å; F467-W493 HydrophobicContact CD1-CH2 3.91Å; F467-W493 HydrophobicContact CD1-CZ2 4.11Å; F467-W493 AromaticContact CE1-CH2 3.67Å; F467-W493 HydrophobicContact CE1-CH2 3.67Å; F467-W493 AromaticContact CE1-CZ2 3.51Å; F467-W493 HydrophobicContact CE1-CZ2 3.51Å; F467-W493 HydrophobicContact CE2-CH2 4.3Å; F467-W493 HydrophobicContact CG-CH2 4.34Å; F467-W493 AromaticContact CZ-CH2 3.88Å; F467-W493 HydrophobicContact CZ-CH2 3.88Å; F467-W493 AromaticContact CZ-CZ2 3.85Å; F467-W493 HydrophobicContact CZ-CZ2 3.85Å; L489-W493 HydrophobicContact CD2-CZ3 4.37Å; N490-W493 HydrophobicContact CB-CD2 4.01Å; N490-W493 HydrophobicContact CB-CG 3.98Å; N490-W493 HydrophobicContact CB-CZ2 4.46Å; N490-W493 WeakPolarHBondContact O-CB 3.37Å; N490-W493 PolarHBondContact O-N 3.18Å; K491-W493 VanDerWaalsContact C-N 3.35Å; W493-K497 HydrophobicContact CB-CB 4.47Å; W493-K497 HydrophobicContact CB-CD 4.23Å; W493-K497 HydrophobicContact CD2-CD 3.73Å; W493-K497 HydrophobicContact CD2-CG 4.17Å; W493-K497 HydrophobicContact CE3-CD 4.04Å; W493-K497 HydrophobicContact CE3-CG 3.97Å; W493-K497 HydrophobicContact CG-CD 3.81Å; W493-K497 HydrophobicContact CG-CG 4.45Å; W493-K497 VanDerWaalsContact NE1-NZ 3.17Å; W493-K498 HydrophobicContact CB-CG 3.97Å; W493-K498 VanDerWaalsContact O-CE 3.26Å; W493-K498 WeakPolarHBondContact O-CE 3.35Å; W493-Y501 HydrophobicContact CH2-CD2 4.42Å; W493-Y501 HydrophobicContact CZ3-CD2 4.08Å; W493-Y501 HydrophobicContact CZ3-CG 4.43Å
494	R	88.3	Confident	87.2	Confident	184 Å²	184	64.4 Å²	64.4	69%	0.694	31%	0.305	S	S	*	.			trans	-60.4	147.5	170.3	-58.9	-170.2	-60.4	-93.7	3.5	110.4	E496 K497 K498	R494-E496 VanDerWaalsContact C-N 3.29Å; R494-E496 PolarHBondContact O-N 2.95Å; R494-K497 WeakPolarHBondContact O-CA 3.49Å; R494-K497 WeakPolarHBondContact O-CB 3.29Å; R494-K497 PolarHBondContact O-N 3.31Å; R494-K498 PolarHBondContact O-N 2.86Å; R494-K498 VanDerWaalsContact O-N 3.12Å
495	D	87.1	Confident	86.4	Confident	124 Å²	124	64.7 Å²	64.7	66%	0.663	31%	0.307	S	S	*	.	H	α-helix	trans	-56.7	-40.5	-175.6	-58.3	-40.9	0	0	0	112.8	K497 K498 E499	D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 3.24Å; D495-K498 CarbonylContact O-C 3.52Å; D495-K498 WeakPolarHBondContact O-CB 3.35Å; D495-K498 PolarHBondContact O-N 3.38Å; D495-K498 VanDerWaalsContact O-N 3.11Å; D495-E499 WeakPolarHBondContact O-CB 3.43Å; D495-E499 PolarHBondContact O-N 3.03Å
496	E	87.6	Confident	85.8	Confident	126 Å²	126	64.5 Å²	64.5	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-51.5	-43.1	172.4	179.9	-170.1	-152.9	0	0	112.9	R494 N500	R494-E496 VanDerWaalsContact C-N 3.29Å; R494-E496 PolarHBondContact O-N 2.95Å; E496-N500 WeakPolarHBondContact O-CB 3.44Å; E496-N500 VanDerWaalsContact O-CG 3.22Å; E496-N500 PolarHBondContact O-N 3.29Å; E496-N500 PolarHBondContact O-ND2 3.43Å
497	K	84.5	Confident	85.2	Confident	42 Å²	42	68.7 Å²	68.7	18%	0.183	33%	0.325	C	S	.	.	H	α-helix	trans	-74	-37.9	179.9	-174.3	180	177.8	-170.4	0	111.5	E64 W493 R494 D495 Y501	E64-K497 VanDerWaalsContact CD-NZ 3.32Å; E64-K497 IonicContact OE1-NZ 3.18Å; E64-K497 PolarHBondContact OE1-NZ 3.18Å; W493-K497 HydrophobicContact CB-CB 4.47Å; W493-K497 HydrophobicContact CB-CD 4.23Å; W493-K497 HydrophobicContact CD2-CD 3.73Å; W493-K497 HydrophobicContact CD2-CG 4.17Å; W493-K497 HydrophobicContact CE3-CD 4.04Å; W493-K497 HydrophobicContact CE3-CG 3.97Å; W493-K497 HydrophobicContact CG-CD 3.81Å; W493-K497 HydrophobicContact CG-CG 4.45Å; W493-K497 VanDerWaalsContact NE1-NZ 3.17Å; R494-K497 WeakPolarHBondContact O-CA 3.49Å; R494-K497 WeakPolarHBondContact O-CB 3.29Å; R494-K497 PolarHBondContact O-N 3.31Å; D495-K497 VanDerWaalsContact C-N 3.27Å; D495-K497 PolarHBondContact O-N 3.24Å; K497-Y501 PolarHBondContact O-N 3.08Å
498	K	85	Confident	84.9	Confident	29 Å²	29	69.5 Å²	69.5	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-61.9	-45.8	172.6	-65.8	-177.9	175	-173.4	0	110.6	L489 N490 K491 W493 R494 D495 Y501 H502 D532	L489-K498 HydrophobicContact CD1-CB 3.99Å; L489-K498 HydrophobicContact CD1-CG 4.27Å; N490-K498 WeakPolarHBondContact O-CE 3.35Å; K491-K498 PolarHBondContact O-NZ 3.5Å; W493-K498 HydrophobicContact CB-CG 3.97Å; W493-K498 VanDerWaalsContact O-CE 3.26Å; W493-K498 WeakPolarHBondContact O-CE 3.35Å; R494-K498 PolarHBondContact O-N 2.86Å; R494-K498 VanDerWaalsContact O-N 3.12Å; D495-K498 CarbonylContact O-C 3.52Å; D495-K498 WeakPolarHBondContact O-CB 3.35Å; D495-K498 PolarHBondContact O-N 3.38Å; D495-K498 VanDerWaalsContact O-N 3.11Å; K498-Y501 PolarHBondContact O-N 3.36Å; K498-H502 WeakPolarHBondContact O-CB 3.31Å; K498-H502 PolarHBondContact O-N 3.11Å; K498-D532 WeakPolarHBondContact CD-OD1 3.4Å; K498-D532 VanDerWaalsContact CE-OD1 3.24Å; K498-D532 WeakPolarHBondContact CE-OD1 3.36Å; K498-D532 VanDerWaalsContact NZ-CG 3.3Å; K498-D532 IonicContact NZ-OD1 3.6Å; K498-D532 PolarHBondContact NZ-OD1 2.86Å; K498-D532 IonicContact NZ-OD2 3.8Å; K498-D532 PolarHBondContact NZ-OD2 3.02Å; K498-D532 VanDerWaalsContact NZ-OD2 3.09Å
499	E	85.5	Confident	84.9	Confident	106 Å²	106	69.8 Å²	69.8	50%	0.495	33%	0.328	S	S	.	.	H	α-helix	trans	-65.6	-41.4	179.5	-162.2	-171	146.3	0	0	111.7	D495 H502 K503	D495-E499 WeakPolarHBondContact O-CB 3.43Å; D495-E499 PolarHBondContact O-N 3.03Å; E499-H502 PolarHBondContact O-N 3.47Å; E499-K503 HydrophobicContact CG-CD 4.46Å; E499-K503 WeakPolarHBondContact O-CB 3.39Å; E499-K503 VanDerWaalsContact O-CG 3.3Å; E499-K503 WeakPolarHBondContact O-CG 3.33Å; E499-K503 PolarHBondContact O-N 2.6Å; E499-K503 WeakPolarHBondContact OE1-CE 3.23Å; E499-K503 IonicContact OE1-NZ 2.69Å; E499-K503 PolarHBondContact OE1-NZ 2.96Å
500	N	84.1	Confident	84.9	Confident	63 Å²	63	77.7 Å²	77.7	34%	0.337	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-45	173.9	-73.9	-16.2	0	0	0	111.7	E496 H502 K503 H504	E496-N500 WeakPolarHBondContact O-CB 3.44Å; E496-N500 VanDerWaalsContact O-CG 3.22Å; E496-N500 PolarHBondContact O-N 3.29Å; E496-N500 PolarHBondContact O-ND2 3.43Å; N500-H502 VanDerWaalsContact C-N 3.35Å; N500-H502 PolarHBondContact O-N 2.9Å; N500-K503 WeakPolarHBondContact O-CB 3.46Å; N500-K503 PolarHBondContact O-N 3.17Å; N500-H504 PolarHBondContact O-CD2 3.09Å; N500-H504 PolarHBondContact O-N 2.8Å
501	Y	83.2	Confident	85.1	Confident	19 Å²	19	74.8 Å²	74.8	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-42.7	173.8	-168.7	-75	0	0	0	111.8	F67 F467 H487 L489 W493 K497 K498 K503 H504 A505 F534	F67-Y501 AromaticContact CD1-CD2 3.89Å; F67-Y501 HydrophobicContact CD1-CD2 3.89Å; F67-Y501 HydrophobicContact CD1-CE2 4.2Å; F67-Y501 HydrophobicContact CD2-CD2 4.35Å; F67-Y501 HydrophobicContact CD2-CE2 4.48Å; F67-Y501 AromaticContact CE1-CD2 3.81Å; F67-Y501 HydrophobicContact CE1-CD2 3.81Å; F67-Y501 AromaticContact CE1-CE2 3.64Å; F67-Y501 HydrophobicContact CE1-CE2 3.64Å; F67-Y501 HydrophobicContact CE2-CD2 4.29Å; F67-Y501 AromaticContact CE2-CE2 3.97Å; F67-Y501 HydrophobicContact CE2-CE2 3.97Å; F67-Y501 HydrophobicContact CG-CD2 4.17Å; F67-Y501 HydrophobicContact CZ-CD2 4.03Å; F67-Y501 AromaticContact CZ-CE2 3.51Å; F67-Y501 HydrophobicContact CZ-CE2 3.51Å; F467-Y501 HydrophobicContact CB-CE2 4.31Å; F467-Y501 HydrophobicContact CD2-CE2 4Å; F467-Y501 HydrophobicContact CG-CE2 4.36Å; H487-Y501 AromaticContact ND1-CE1 3.94Å; H487-Y501 PolarHBondContact ND1-OH 2.86Å; L489-Y501 HydrophobicContact CD2-CD1 3.26Å; L489-Y501 HydrophobicContact CD2-CD2 4.36Å; L489-Y501 HydrophobicContact CD2-CE1 3.65Å; L489-Y501 HydrophobicContact CD2-CG 3.66Å; W493-Y501 HydrophobicContact CH2-CD2 4.42Å; W493-Y501 HydrophobicContact CZ3-CD2 4.08Å; W493-Y501 HydrophobicContact CZ3-CG 4.43Å; K497-Y501 PolarHBondContact O-N 3.08Å; K498-Y501 PolarHBondContact O-N 3.36Å; Y501-K503 VanDerWaalsContact C-N 3.34Å; Y501-K503 PolarHBondContact O-N 2.82Å; Y501-H504 WeakPolarHBondContact O-CB 3.22Å; Y501-H504 PolarHBondContact O-N 2.83Å; Y501-A505 PolarHBondContact O-N 2.96Å; Y501-F534 HydrophobicContact CD1-CE1 4.36Å; Y501-F534 HydrophobicContact CD1-CZ 4.21Å; Y501-F534 HydrophobicContact CE1-CE1 4.32Å; Y501-F534 AromaticContact CE1-CZ 3.9Å; Y501-F534 HydrophobicContact CE1-CZ 3.9Å
502	H	82.1	Confident	85.5	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.306	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-38.2	177.4	-170.9	87.9	0	0	0	112	K498 E499 N500 A505 C506 Y526	K498-H502 WeakPolarHBondContact O-CB 3.31Å; K498-H502 PolarHBondContact O-N 3.11Å; E499-H502 PolarHBondContact O-N 3.47Å; N500-H502 VanDerWaalsContact C-N 3.35Å; N500-H502 PolarHBondContact O-N 2.9Å; H502-A505 PolarHBondContact O-N 2.91Å; H502-C506 PolarHBondContact NE2-SG 2.83Å; H502-C506 VanDerWaalsContact O-CB 3.27Å; H502-C506 WeakPolarHBondContact O-CB 3.24Å; H502-C506 PolarHBondContact O-N 2.88Å; H502-C506 PolarHBondContact O-SG 3.36Å; H502-Y526 PolarHBondContact CE1-OH 2.77Å
503	K	83.1	Confident	85.8	Confident	106 Å²	106	66.7 Å²	66.7	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-44.1	171.2	-75.3	165.6	-178.1	159.9	0	111.8	E499 N500 Y501 C506 R507	E499-K503 HydrophobicContact CG-CD 4.46Å; E499-K503 WeakPolarHBondContact O-CB 3.39Å; E499-K503 VanDerWaalsContact O-CG 3.3Å; E499-K503 WeakPolarHBondContact O-CG 3.33Å; E499-K503 PolarHBondContact O-N 2.6Å; E499-K503 WeakPolarHBondContact OE1-CE 3.23Å; E499-K503 IonicContact OE1-NZ 2.69Å; E499-K503 PolarHBondContact OE1-NZ 2.96Å; N500-K503 WeakPolarHBondContact O-CB 3.46Å; N500-K503 PolarHBondContact O-N 3.17Å; Y501-K503 VanDerWaalsContact C-N 3.34Å; Y501-K503 PolarHBondContact O-N 2.82Å; K503-C506 PolarHBondContact O-N 2.96Å; K503-R507 WeakPolarHBondContact O-CB 3.27Å; K503-R507 PolarHBondContact O-N 3.23Å
504	H	80.4	Confident	86.1	Confident	56 Å²	56	73 Å²	73	26%	0.259	32%	0.324	S	S	.	.	H	α-helix	trans	-61.2	-45.5	175.4	-79.6	-71.6	0	0	0	112.4	N500 Y501 R507 E508	N500-H504 PolarHBondContact O-CD2 3.09Å; N500-H504 PolarHBondContact O-N 2.8Å; Y501-H504 WeakPolarHBondContact O-CB 3.22Å; Y501-H504 PolarHBondContact O-N 2.83Å; H504-R507 WeakPolarHBondContact O-CB 3.28Å; H504-R507 PolarHBondContact O-N 2.9Å; H504-E508 PolarHBondContact O-N 3.05Å
505	A	80.6	Confident	86.5	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-72.1	-35.1	178.7	0	0	0	0	0	113.3	Y501 H502 R507 E508 Y509 F534	Y501-A505 PolarHBondContact O-N 2.96Å; H502-A505 PolarHBondContact O-N 2.91Å; A505-R507 VanDerWaalsContact C-N 3.26Å; A505-R507 PolarHBondContact O-N 2.71Å; A505-E508 WeakPolarHBondContact O-CB 3.33Å; A505-E508 PolarHBondContact O-N 2.88Å; A505-Y509 WeakPolarHBondContact O-CB 3.42Å; A505-Y509 PolarHBondContact O-N 2.8Å; A505-F534 HydrophobicContact CB-CE1 4.36Å; A505-F534 HydrophobicContact CB-CE2 3.41Å; A505-F534 VanDerWaalsContact CB-CE2 3.41Å; A505-F534 HydrophobicContact CB-CZ 3.24Å
506	C	83.2	Confident	86.9	Confident	22 Å²	22	63.6 Å²	63.6	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-34.3	169	-84.9	0	0	0	0	112	H502 K503 R510	H502-C506 PolarHBondContact NE2-SG 2.83Å; H502-C506 VanDerWaalsContact O-CB 3.27Å; H502-C506 WeakPolarHBondContact O-CB 3.24Å; H502-C506 PolarHBondContact O-N 2.88Å; H502-C506 PolarHBondContact O-SG 3.36Å; K503-C506 PolarHBondContact O-N 2.96Å; C506-R510 WeakPolarHBondContact O-CB 3.47Å; C506-R510 VanDerWaalsContact O-CG 3.23Å; C506-R510 WeakPolarHBondContact O-CG 3.31Å; C506-R510 PolarHBondContact O-N 3.19Å
507	R	83.7	Confident	87.4	Confident	87 Å²	87	59 Å²	59	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-46.9	172.8	179	-171.9	177.2	143.1	14.3	111.4	K503 H504 A505 Y509 R510 I511 S611	K503-R507 WeakPolarHBondContact O-CB 3.27Å; K503-R507 PolarHBondContact O-N 3.23Å; H504-R507 WeakPolarHBondContact O-CB 3.28Å; H504-R507 PolarHBondContact O-N 2.9Å; A505-R507 VanDerWaalsContact C-N 3.26Å; A505-R507 PolarHBondContact O-N 2.71Å; R507-Y509 VanDerWaalsContact C-N 3.31Å; R507-Y509 PolarHBondContact O-N 3.24Å; R507-R510 PolarHBondContact O-N 3.34Å; R507-I511 HydrophobicContact CG-CD1 3.8Å; R507-I511 HydrophobicContact CG-CG1 4.39Å; R507-I511 WeakPolarHBondContact O-CB 3.11Å; R507-I511 WeakPolarHBondContact O-CG1 3.26Å; R507-I511 PolarHBondContact O-N 2.92Å; R507-S611 PolarHBondContact NE-O 3.23Å; R507-S611 PolarHBondContact NH2-O 2.93Å
508	E	86.4	Confident	88	Confident	20 Å²	20	60.5 Å²	60.5	9%	0.093	28%	0.28	C	S	.	.	H	α-helix	trans	-52.4	-51.3	173.1	-175.8	-178.4	159.8	0	0	110.2	K485 H504 A505 I511 H512	K485-E508 IonicContact NZ-OE1 2.86Å; K485-E508 PolarHBondContact NZ-OE1 2.85Å; K485-E508 IonicContact NZ-OE2 2.57Å; K485-E508 PolarHBondContact NZ-OE2 2.72Å; H504-E508 PolarHBondContact O-N 3.05Å; A505-E508 WeakPolarHBondContact O-CB 3.33Å; A505-E508 PolarHBondContact O-N 2.88Å; E508-I511 PolarHBondContact O-N 2.87Å; E508-H512 WeakPolarHBondContact O-CB 3.5Å; E508-H512 PolarHBondContact O-N 3.32Å
509	Y	88.7	Confident	88.7	Confident	57 Å²	57	60.9 Å²	60.9	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-55.9	-53.4	176.1	174.3	-100.5	0	0	0	112.7	A505 R507 I511 H512 K513 L523 Y526	A505-Y509 WeakPolarHBondContact O-CB 3.42Å; A505-Y509 PolarHBondContact O-N 2.8Å; R507-Y509 VanDerWaalsContact C-N 3.31Å; R507-Y509 PolarHBondContact O-N 3.24Å; Y509-I511 PolarHBondContact O-N 3.35Å; Y509-H512 PolarHBondContact O-N 2.81Å; Y509-K513 HydrophobicContact CE1-CB 4.49Å; Y509-K513 HydrophobicContact CE2-CB 4.32Å; Y509-K513 HydrophobicContact CE2-CD 4.09Å; Y509-K513 HydrophobicContact CE2-CG 4.35Å; Y509-K513 WeakPolarHBondContact O-CB 3.43Å; Y509-K513 PolarHBondContact O-N 3.09Å; Y509-L523 HydrophobicContact CD2-CD2 3.51Å; Y509-L523 HydrophobicContact CD2-CG 4.38Å; Y509-L523 HydrophobicContact CE2-CD2 3.86Å; Y509-L523 HydrophobicContact CE2-CG 4.45Å; Y509-L523 HydrophobicContact CG-CD2 4.36Å; Y509-Y526 HydrophobicContact CD2-CD2 4.03Å; Y509-Y526 AromaticContact CD2-CG 3.82Å; Y509-Y526 HydrophobicContact CD2-CG 3.82Å; Y509-Y526 HydrophobicContact CE2-CG 4.1Å; Y509-Y526 HydrophobicContact CG-CD2 4.18Å; Y509-Y526 HydrophobicContact CG-CG 4.14Å
510	R	87.5	Confident	89.3	Confident	180 Å²	180	55.9 Å²	55.9	68%	0.679	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-41.2	-177.1	-73.1	170.7	-168.7	175.7	4.2	113	C506 R507	C506-R510 WeakPolarHBondContact O-CB 3.47Å; C506-R510 VanDerWaalsContact O-CG 3.23Å; C506-R510 WeakPolarHBondContact O-CG 3.31Å; C506-R510 PolarHBondContact O-N 3.19Å; R507-R510 PolarHBondContact O-N 3.34Å
511	I	89.5	Confident	89.9	Confident	9 Å²	9	53 Å²	53	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-50.6	175.3	-73.6	173.9	0	0	0	109.6	R507 E508 Y509 L515 I582 F608 I613	R507-I511 HydrophobicContact CG-CD1 3.8Å; R507-I511 HydrophobicContact CG-CG1 4.39Å; R507-I511 WeakPolarHBondContact O-CB 3.11Å; R507-I511 WeakPolarHBondContact O-CG1 3.26Å; R507-I511 PolarHBondContact O-N 2.92Å; E508-I511 PolarHBondContact O-N 2.87Å; Y509-I511 PolarHBondContact O-N 3.35Å; I511-L515 WeakPolarHBondContact O-CG 3.07Å; I511-I582 HydrophobicContact CG2-CD1 3.86Å; I511-I582 HydrophobicContact CG2-CG2 4.39Å; I511-F608 HydrophobicContact CG2-CB 4.28Å; I511-F608 HydrophobicContact CG2-CD1 4.26Å; I511-I613 HydrophobicContact CD1-CD1 4.04Å; I511-I613 HydrophobicContact CD1-CG1 3.82Å; I511-I613 HydrophobicContact CG1-CD1 3.79Å; I511-I613 HydrophobicContact CG1-CG1 3.91Å
512	H	94.3	Very high	90.6	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-81.7	-21.7	-167.5	-169.9	-172.9	0	0	0	113	E508 Y509 E514 L515 V521 L523 F608	E508-H512 WeakPolarHBondContact O-CB 3.5Å; E508-H512 PolarHBondContact O-N 3.32Å; Y509-H512 PolarHBondContact O-N 2.81Å; H512-E514 VanDerWaalsContact C-N 3.34Å; H512-E514 PolarHBondContact O-N 2.93Å; H512-L515 PolarHBondContact O-N 3.27Å; H512-V521 PolarHBondContact NE2-O 3.02Å; H512-L523 HydrophobicContact CB-CD2 3.94Å; H512-F608 HydrophobicContact CB-CB 4.32Å; H512-F608 HydrophobicContact CB-CD2 4.14Å; H512-F608 HydrophobicContact CB-CG 4.37Å; H512-F608 AromaticContact CD2-CD2 3.65Å; H512-F608 AromaticContact CD2-CE2 3.72Å; H512-F608 AromaticContact CE1-CD2 3.73Å; H512-F608 AromaticContact CG-CD2 3.58Å; H512-F608 AromaticContact ND1-CD2 3.64Å; H512-F608 AromaticContact NE2-CD2 3.74Å; H512-F608 AromaticContact NE2-CE2 3.63Å
513	K	93	Very high	91.3	Very high	77 Å²	77	52.9 Å²	52.9	34%	0.335	24%	0.242	S	C	.	.	H	α-helix	trans	-64.7	-34.8	178.8	-174.7	57.7	177.6	171.4	0	113.6	Y509 L515 L523 Y524	Y509-K513 HydrophobicContact CE1-CB 4.49Å; Y509-K513 HydrophobicContact CE2-CB 4.32Å; Y509-K513 HydrophobicContact CE2-CD 4.09Å; Y509-K513 HydrophobicContact CE2-CG 4.35Å; Y509-K513 WeakPolarHBondContact O-CB 3.43Å; Y509-K513 PolarHBondContact O-N 3.09Å; K513-L515 VanDerWaalsContact C-N 3.33Å; K513-L523 HydrophobicContact CB-CD2 4.1Å; K513-Y524 PolarHBondContact NZ-O 3.05Å
514	E	90.3	Very high	91.9	Very high	151 Å²	151	50.1 Å²	50.1	71%	0.706	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.6	-178.3	-55	-54.6	131.2	0	0	113.1	H512	H512-E514 VanDerWaalsContact C-N 3.34Å; H512-E514 PolarHBondContact O-N 2.93Å
515	L	96.1	Very high	92.6	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	23%	0.225	C	C	.	.			trans	-86.3	115	-177.9	-52.9	-177.3	0	0	0	111.3	I511 H512 K513 I520 Y574 L575 I578 I582 F608	I511-L515 WeakPolarHBondContact O-CG 3.07Å; H512-L515 PolarHBondContact O-N 3.27Å; K513-L515 VanDerWaalsContact C-N 3.33Å; L515-I520 HydrophobicContact CB-CG2 4.34Å; L515-I520 HydrophobicContact CD1-CD1 4.43Å; L515-I520 HydrophobicContact CD1-CG2 4.32Å; L515-Y574 HydrophobicContact CB-CE1 4.36Å; L515-Y574 HydrophobicContact CD2-CE1 4.09Å; L515-L575 HydrophobicContact CD1-CD2 3.87Å; L515-L575 HydrophobicContact CD2-CD2 3.84Å; L515-I578 HydrophobicContact CD2-CD1 3.52Å; L515-I582 HydrophobicContact CD2-CD1 4.2Å; L515-F608 HydrophobicContact CD1-CD1 3.92Å; L515-F608 HydrophobicContact CD1-CD2 4.28Å; L515-F608 HydrophobicContact CD1-CE1 3.47Å; L515-F608 VanDerWaalsContact CD1-CE1 3.47Å; L515-F608 HydrophobicContact CD1-CE2 3.88Å; L515-F608 HydrophobicContact CD1-CG 4.32Å; L515-F608 HydrophobicContact CD1-CZ 3.46Å; L515-F608 VanDerWaalsContact CD1-CZ 3.46Å
516	D	96.3	Very high	93.2	Very high	102 Å²	102	51 Å²	51	55%	0.545	23%	0.232	S	C	.	.			trans	-125.7	97.8	170.2	-167.7	13.5	0	0	0	111.4	K522 Y574	D516-K522 WeakPolarHBondContact OD1-CE 3.49Å; D516-K522 IonicContact OD1-NZ 3.86Å; D516-K522 PolarHBondContact OD1-NZ 3.36Å; D516-K522 IonicContact OD2-NZ 2.71Å; D516-Y574 PolarHBondContact N-OH 3.29Å
517	H	98.3	Very high	93.7	Very high	31 Å²	31	50.8 Å²	50.8	14%	0.144	23%	0.228	C	C	.	.			trans	-150.7	137.8	177.1	-179	-103.3	0	0	0	110	R519 I520 Y574	H517-R519 PolarHBondContact ND1-N 3.33Å; H517-R519 PolarHBondContact O-N 2.91Å; H517-R519 VanDerWaalsContact O-N 3.09Å; H517-I520 HydrophobicContact CB-CB 4.37Å; H517-I520 HydrophobicContact CB-CD1 4.01Å; H517-I520 HydrophobicContact CB-CG1 4.04Å; H517-I520 PolarHBondContact O-N 3.38Å; H517-Y574 HydrophobicContact CB-CD1 3.66Å; H517-Y574 HydrophobicContact CB-CD2 4.12Å; H517-Y574 HydrophobicContact CB-CE1 3.82Å; H517-Y574 HydrophobicContact CB-CE2 4.27Å; H517-Y574 HydrophobicContact CB-CG 3.81Å; H517-Y574 AromaticContact CD2-CG 3.87Å; H517-Y574 AromaticContact CG-CG 3.86Å
518	P	97.9	Very high	94.2	Very high	73 Å²	73	50 Å²	50	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.4	-174.8	21.2	-34.8	0	0	0	114.4	I520 K604	P518-I520 VanDerWaalsContact C-N 3.34Å; P518-K604 WeakPolarHBondContact O-CE 3.28Å; P518-K604 WeakPolarHBondContact O-CG 3.4Å; P518-K604 PolarHBondContact O-NZ 3.44Å
519	R	98.4	Very high	94.4	Very high	36 Å²	36	52.2 Å²	52.2	14%	0.136	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12.7	177.8	-49	-63.4	142.2	-127.8	6.2	114.1	H517 Q567 A571 E602 I603 K604 I605	H517-R519 PolarHBondContact ND1-N 3.33Å; H517-R519 PolarHBondContact O-N 2.91Å; H517-R519 VanDerWaalsContact O-N 3.09Å; R519-Q567 HydrophobicContact CG-CB 4.41Å; R519-A571 HydrophobicContact CB-CB 3.97Å; R519-E602 IonicContact CZ-OE1 3.47Å; R519-E602 IonicContact CZ-OE2 3.89Å; R519-E602 VanDerWaalsContact NH1-CD 3.26Å; R519-E602 IonicContact NH1-OE1 3.69Å; R519-E602 IonicContact NH1-OE2 3.5Å; R519-E602 PolarHBondContact NH1-OE2 3.48Å; R519-E602 IonicContact NH2-OE1 2.82Å; R519-E602 PolarHBondContact NH2-OE1 3.45Å; R519-E602 IonicContact NH2-OE2 2.64Å; R519-E602 PolarHBondContact NH2-OE2 3.18Å; R519-I603 WeakPolarHBondContact CD-O 3.41Å; R519-K604 CarbonylContact O-C 3.45Å; R519-K604 WeakPolarHBondContact O-CA 3.47Å; R519-I605 PolarHBondContact O-N 2.96Å
520	I	98.5	Very high	94.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-118.4	141.3	171.9	-58.1	-175.6	0	0	0	107.6	L515 H517 P518 K522 A571 Y574 L575 K604 I605 F608	L515-I520 HydrophobicContact CB-CG2 4.34Å; L515-I520 HydrophobicContact CD1-CD1 4.43Å; L515-I520 HydrophobicContact CD1-CG2 4.32Å; H517-I520 HydrophobicContact CB-CB 4.37Å; H517-I520 HydrophobicContact CB-CD1 4.01Å; H517-I520 HydrophobicContact CB-CG1 4.04Å; H517-I520 PolarHBondContact O-N 3.38Å; P518-I520 VanDerWaalsContact C-N 3.34Å; I520-K522 PolarHBondContact O-N 3.29Å; I520-A571 HydrophobicContact CG1-CB 4.14Å; I520-Y574 HydrophobicContact CD1-CD1 3.58Å; I520-Y574 HydrophobicContact CD1-CE1 3.81Å; I520-L575 HydrophobicContact CD1-CD2 3.92Å; I520-L575 HydrophobicContact CD1-CG 4.1Å; I520-K604 PolarHBondContact O-NZ 3.46Å; I520-I605 HydrophobicContact CB-CG1 4.39Å; I520-I605 HydrophobicContact CD1-CD1 4.4Å; I520-I605 HydrophobicContact CG1-CD1 4.08Å; I520-I605 HydrophobicContact CG1-CG1 3.8Å; I520-F608 HydrophobicContact CD1-CZ 4.34Å; I520-F608 HydrophobicContact CG2-CE2 3.71Å; I520-F608 HydrophobicContact CG2-CZ 3.68Å
521	V	97.8	Very high	94.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.262	C	S	.	.			trans	-64.5	127.7	169.7	168.7	0	0	0	0	108.8	H512 L538 E539 L593 K604 I605	H512-V521 PolarHBondContact NE2-O 3.02Å; V521-L538 HydrophobicContact CG1-CB 4Å; V521-L538 HydrophobicContact CG1-CD2 4.04Å; V521-E539 WeakPolarHBondContact CA-OE2 3.16Å; V521-E539 HydrophobicContact CG1-CB 4.01Å; V521-L593 HydrophobicContact CG2-CD1 3.59Å; V521-K604 HydrophobicContact CG2-CB 3.82Å; V521-K604 HydrophobicContact CG2-CD 4.43Å; V521-I605 PolarHBondContact N-O 2.87Å
522	K	97.2	Very high	94.4	Very high	73 Å²	73	51 Å²	51	32%	0.317	26%	0.264	S	S	.	.			trans	-73.3	143.2	176.5	-58.9	-160.6	-177.5	-151.9	0	112.4	D516 I520 Y524 L538 E539	D516-K522 WeakPolarHBondContact OD1-CE 3.49Å; D516-K522 IonicContact OD1-NZ 3.86Å; D516-K522 PolarHBondContact OD1-NZ 3.36Å; D516-K522 IonicContact OD2-NZ 2.71Å; I520-K522 PolarHBondContact O-N 3.29Å; K522-Y524 HydrophobicContact CB-CD1 4.19Å; K522-Y524 HydrophobicContact CB-CE1 3.71Å; K522-Y524 HydrophobicContact CD-CE1 4.37Å; K522-L538 CarbonylContact O-C 3.6Å; K522-L538 WeakPolarHBondContact O-CA 3.48Å; K522-E539 HydrophobicContact CB-CB 4.15Å; K522-E539 PolarHBondContact N-OE2 3.07Å; K522-E539 PolarHBondContact O-N 3.12Å
523	L	96.2	Very high	94.3	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.2	169.3	-176.6	69	0	0	0	110.2	Y509 H512 K513 T536 L538	Y509-L523 HydrophobicContact CD2-CD2 3.51Å; Y509-L523 HydrophobicContact CD2-CG 4.38Å; Y509-L523 HydrophobicContact CE2-CD2 3.86Å; Y509-L523 HydrophobicContact CE2-CG 4.45Å; Y509-L523 HydrophobicContact CG-CD2 4.36Å; H512-L523 HydrophobicContact CB-CD2 3.94Å; K513-L523 HydrophobicContact CB-CD2 4.1Å; L523-T536 HydrophobicContact CD1-CG2 4.3Å; L523-L538 HydrophobicContact CB-CD2 4.49Å; L523-L538 HydrophobicContact CD1-CD2 3.65Å; L523-L538 HydrophobicContact CD1-CG 4.35Å
524	Y	95.5	Very high	94.3	Very high	47 Å²	47	47.8 Å²	47.8	18%	0.184	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-51.5	-176.5	-61.2	-36.1	0	0	0	112.5	A482 K513 K522 V537 E539	A482-Y524 HydrophobicContact CB-CD2 4.47Å; K513-Y524 PolarHBondContact NZ-O 3.05Å; K522-Y524 HydrophobicContact CB-CD1 4.19Å; K522-Y524 HydrophobicContact CB-CE1 3.71Å; K522-Y524 HydrophobicContact CD-CE1 4.37Å; Y524-V537 HydrophobicContact CD2-CG1 4.4Å; Y524-V537 PolarHBondContact N-O 2.89Å; Y524-E539 HydrophobicContact CE2-CB 4.18Å
525	D	95.3	Very high	94.5	Very high	35 Å²	35	40.6 Å²	40.6	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	163.4	-168	-164.2	23.4	0	0	0	113.2	Y456 V537	Y456-D525 HydrophobicContact CE2-CB 4.42Å; Y456-D525 WeakPolarHBondContact CE2-OD2 3.26Å; Y456-D525 VanDerWaalsContact OH-CB 3.26Å; Y456-D525 WeakPolarHBondContact OH-CB 3.37Å; Y456-D525 PolarHBondContact OH-OD2 2.95Å; Y456-D525 VanDerWaalsContact OH-OD2 3.09Å; D525-V537 HydrophobicContact CB-CB 3.96Å; D525-V537 HydrophobicContact CB-CG2 3.94Å; D525-V537 PolarHBondContact N-O 2.88Å; D525-V537 PolarHBondContact O-N 3.48Å
526	Y	93.6	Very high	94.4	Very high	46 Å²	46	40.3 Å²	40.3	18%	0.18	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	133.8	173.9	169	-84.8	0	0	0	110.6	H502 Y509 F534 C535 T536	H502-Y526 PolarHBondContact CE1-OH 2.77Å; Y509-Y526 HydrophobicContact CD2-CD2 4.03Å; Y509-Y526 AromaticContact CD2-CG 3.82Å; Y509-Y526 HydrophobicContact CD2-CG 3.82Å; Y509-Y526 HydrophobicContact CE2-CG 4.1Å; Y509-Y526 HydrophobicContact CG-CD2 4.18Å; Y509-Y526 HydrophobicContact CG-CG 4.14Å; Y526-F534 HydrophobicContact CD2-CD2 4.5Å; Y526-F534 HydrophobicContact CE2-CB 4.42Å; Y526-F534 AromaticContact CE2-CD2 3.62Å; Y526-F534 HydrophobicContact CE2-CD2 3.62Å; Y526-F534 HydrophobicContact CE2-CE2 4.28Å; Y526-F534 HydrophobicContact CE2-CG 4.26Å; Y526-C535 WeakPolarHBondContact CA-O 3.18Å; Y526-C535 WeakPolarHBondContact CD2-O 3.49Å; Y526-T536 HydrophobicContact CD2-CG2 3.88Å
527	F	94.1	Very high	94.5	Very high	17 Å²	17	35.5 Å²	35.5	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.5	177.3	56.4	-92.5	0	0	0	111.4	L452 N453 Y456 L529 C535 V537	L452-F527 HydrophobicContact CB-CE2 3.97Å; L452-F527 HydrophobicContact CB-CZ 3.88Å; L452-F527 HydrophobicContact CD1-CZ 4.49Å; N453-F527 HydrophobicContact CB-CD1 3.83Å; N453-F527 HydrophobicContact CB-CD2 3.89Å; N453-F527 HydrophobicContact CB-CE1 3.85Å; N453-F527 HydrophobicContact CB-CE2 3.91Å; N453-F527 HydrophobicContact CB-CG 3.86Å; N453-F527 HydrophobicContact CB-CZ 3.9Å; Y456-F527 HydrophobicContact CD2-CD1 4.45Å; Y456-F527 AromaticContact CD2-CE1 3.5Å; Y456-F527 HydrophobicContact CD2-CE1 3.5Å; Y456-F527 VanDerWaalsContact CD2-CE1 3.5Å; Y456-F527 AromaticContact CD2-CZ 3.92Å; Y456-F527 HydrophobicContact CD2-CZ 3.92Å; Y456-F527 HydrophobicContact CE2-CD1 4.19Å; Y456-F527 AromaticContact CE2-CE1 3.58Å; Y456-F527 HydrophobicContact CE2-CE1 3.58Å; Y456-F527 HydrophobicContact CE2-CZ 4.45Å; F527-L529 HydrophobicContact CD2-CD2 4.09Å; F527-L529 HydrophobicContact CD2-CG 4.43Å; F527-L529 HydrophobicContact CE2-CD2 3.8Å; F527-L529 HydrophobicContact CE2-CG 4.19Å; F527-C535 HydrophobicContact CD1-CB 4.42Å; F527-C535 HydrophobicContact CD2-CB 4Å; F527-C535 HydrophobicContact CE1-CB 3.97Å; F527-C535 HydrophobicContact CE2-CB 3.48Å; F527-C535 VanDerWaalsContact CE2-CB 3.48Å; F527-C535 VanDerWaalsContact CE2-SG 3.54Å; F527-C535 HydrophobicContact CG-CB 4.43Å; F527-C535 HydrophobicContact CZ-CB 3.47Å; F527-C535 VanDerWaalsContact CZ-CB 3.47Å; F527-C535 PolarHBondContact N-O 3.3Å; F527-C535 PolarHBondContact O-N 2.78Å; F527-V537 HydrophobicContact CD1-CG2 4.41Å; F527-V537 HydrophobicContact CE1-CG2 3.63Å; F527-V537 HydrophobicContact CZ-CG2 4.48Å
528	S	92.7	Very high	94.4	Very high	69 Å²	69	34.7 Å²	34.7	48%	0.483	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.2	168.9	-58.2	0	0	0	0	110.5
529	L	92.5	Very high	94.4	Very high	68 Å²	68	33 Å²	33	36%	0.356	17%	0.172	S	C	.	.	S	Bend	trans	-96.9	-39.9	169.7	-69.3	178.4	0	0	0	111.1	F446 L452 F527 T533	F446-L529 HydrophobicContact CE1-CD1 4.1Å; F446-L529 HydrophobicContact CZ-CD1 4.24Å; L452-L529 HydrophobicContact CB-CD2 4.48Å; L452-L529 HydrophobicContact CD1-CD1 4.12Å; L452-L529 HydrophobicContact CD2-CD1 4.04Å; L452-L529 HydrophobicContact CD2-CD2 4.12Å; F527-L529 HydrophobicContact CD2-CD2 4.09Å; F527-L529 HydrophobicContact CD2-CG 4.43Å; F527-L529 HydrophobicContact CE2-CD2 3.8Å; F527-L529 HydrophobicContact CE2-CG 4.19Å; L529-T533 HydrophobicContact CB-CG2 4.21Å; L529-T533 HydrophobicContact CD1-CG2 3.99Å; L529-T533 PolarHBondContact N-O 3.14Å
530	D	90.6	Very high	94.3	Very high	77 Å²	77	33.3 Å²	33.3	41%	0.412	17%	0.174	S	C	.	.	S	Bend	trans	-150.3	-165.6	173.4	62.6	48.1	0	0	0	109.8	D532 T533	D530-D532 WeakPolarHBondContact OD1-CA 3.49Å; D530-D532 PolarHBondContact OD1-N 3.3Å; D530-T533 PolarHBondContact N-O 2.9Å; D530-T533 VanDerWaalsContact OD1-CB 3.3Å; D530-T533 WeakPolarHBondContact OD1-CB 3.2Å; D530-T533 PolarHBondContact OD1-N 2.91Å; D530-T533 PolarHBondContact OD1-OG1 3.29Å; D530-T533 PolarHBondContact OD2-OG1 3.16Å; D530-T533 VanDerWaalsContact OD2-OG1 3.12Å
531	T	86.1	Confident	94.2	Very high	129 Å²	129	33.9 Å²	33.9	79%	0.791	18%	0.178	S	C	*	.	S	Bend	trans	-70.4	-27.8	179.8	51.9	0	0	0	0	114.1
532	D	88.9	Confident	93.9	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.08	21%	0.206	C	C	.	.	S	Bend	trans	-107.5	-4.6	-176.1	-70.8	-26	0	0	0	112.4	L489 K491 K498 D530	L489-D532 HydrophobicContact CB-CB 4.24Å; L489-D532 WeakPolarHBondContact CB-O 3.31Å; L489-D532 VanDerWaalsContact CG-O 3.29Å; L489-D532 WeakPolarHBondContact CG-O 3.45Å; L489-D532 PolarHBondContact N-O 2.99Å; K491-D532 WeakPolarHBondContact CG-OD2 3.13Å; K498-D532 WeakPolarHBondContact CD-OD1 3.4Å; K498-D532 VanDerWaalsContact CE-OD1 3.24Å; K498-D532 WeakPolarHBondContact CE-OD1 3.36Å; K498-D532 VanDerWaalsContact NZ-CG 3.3Å; K498-D532 IonicContact NZ-OD1 3.6Å; K498-D532 PolarHBondContact NZ-OD1 2.86Å; K498-D532 IonicContact NZ-OD2 3.8Å; K498-D532 PolarHBondContact NZ-OD2 3.02Å; K498-D532 VanDerWaalsContact NZ-OD2 3.09Å; D530-D532 WeakPolarHBondContact OD1-CA 3.49Å; D530-D532 PolarHBondContact OD1-N 3.3Å
533	T	91.8	Very high	93.6	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.1	-172.4	-46.7	0	0	0	0	112.1	F446 I486 H487 Q488 L529 D530	F446-T533 HydrophobicContact CZ-CG2 4.48Å; I486-T533 HydrophobicContact CG2-CG2 3.84Å; H487-T533 WeakPolarHBondContact O-CA 3.47Å; Q488-T533 HydrophobicContact CG-CG2 4.06Å; L529-T533 HydrophobicContact CB-CG2 4.21Å; L529-T533 HydrophobicContact CD1-CG2 3.99Å; L529-T533 PolarHBondContact N-O 3.14Å; D530-T533 PolarHBondContact N-O 2.9Å; D530-T533 VanDerWaalsContact OD1-CB 3.3Å; D530-T533 WeakPolarHBondContact OD1-CB 3.2Å; D530-T533 PolarHBondContact OD1-N 2.91Å; D530-T533 PolarHBondContact OD1-OG1 3.29Å; D530-T533 PolarHBondContact OD2-OG1 3.16Å; D530-T533 VanDerWaalsContact OD2-OG1 3.12Å
534	F	92.4	Very high	93.4	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	158.7	175.3	64.1	-91.6	0	0	0	111.9	H487 L489 Y501 A505 Y526	H487-F534 HydrophobicContact CB-CD1 4.26Å; H487-F534 HydrophobicContact CB-CD2 4Å; H487-F534 HydrophobicContact CB-CE1 3.83Å; H487-F534 HydrophobicContact CB-CE2 3.52Å; H487-F534 HydrophobicContact CB-CG 4.34Å; H487-F534 HydrophobicContact CB-CZ 3.43Å; H487-F534 VanDerWaalsContact CB-CZ 3.43Å; H487-F534 AromaticContact CD2-CD2 3.95Å; H487-F534 AromaticContact CD2-CE2 3.46Å; H487-F534 VanDerWaalsContact CD2-CE2 3.46Å; H487-F534 WeakPolarHBondContact CD2-CE2 3.47Å; H487-F534 AromaticContact CG-CE2 3.35Å; H487-F534 AromaticContact CG-CZ 3.58Å; H487-F534 PolarHBondContact N-O 2.94Å; H487-F534 AromaticContact ND1-CE2 3.77Å; H487-F534 AromaticContact ND1-CZ 3.81Å; H487-F534 AromaticContact NE2-CE2 3.95Å; H487-F534 PolarHBondContact O-N 2.94Å; H487-F534 VanDerWaalsContact O-N 3.17Å; L489-F534 HydrophobicContact CD2-CE1 4.47Å; Y501-F534 HydrophobicContact CD1-CE1 4.36Å; Y501-F534 HydrophobicContact CD1-CZ 4.21Å; Y501-F534 HydrophobicContact CE1-CE1 4.32Å; Y501-F534 AromaticContact CE1-CZ 3.9Å; Y501-F534 HydrophobicContact CE1-CZ 3.9Å; A505-F534 HydrophobicContact CB-CE1 4.36Å; A505-F534 HydrophobicContact CB-CE2 3.41Å; A505-F534 VanDerWaalsContact CB-CE2 3.41Å; A505-F534 HydrophobicContact CB-CZ 3.24Å; Y526-F534 HydrophobicContact CD2-CD2 4.5Å; Y526-F534 HydrophobicContact CE2-CB 4.42Å; Y526-F534 AromaticContact CE2-CD2 3.62Å; Y526-F534 HydrophobicContact CE2-CD2 3.62Å; Y526-F534 HydrophobicContact CE2-CE2 4.28Å; Y526-F534 HydrophobicContact CE2-CG 4.26Å
535	C	95	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.7	-172.3	-61.3	0	0	0	0	111.5	V484 K485 Y526 F527	V484-C535 HydrophobicContact CG1-CB 4.1Å; K485-C535 WeakPolarHBondContact O-CA 3.45Å; Y526-C535 WeakPolarHBondContact CA-O 3.18Å; Y526-C535 WeakPolarHBondContact CD2-O 3.49Å; F527-C535 HydrophobicContact CD1-CB 4.42Å; F527-C535 HydrophobicContact CD2-CB 4Å; F527-C535 HydrophobicContact CE1-CB 3.97Å; F527-C535 HydrophobicContact CE2-CB 3.48Å; F527-C535 VanDerWaalsContact CE2-CB 3.48Å; F527-C535 VanDerWaalsContact CE2-SG 3.54Å; F527-C535 HydrophobicContact CG-CB 4.43Å; F527-C535 HydrophobicContact CZ-CB 3.47Å; F527-C535 VanDerWaalsContact CZ-CB 3.47Å; F527-C535 PolarHBondContact N-O 3.3Å; F527-C535 PolarHBondContact O-N 2.78Å
536	T	94.2	Very high	93.5	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.3	160.7	44.4	0	0	0	0	109.4	K485 L523 Y526	K485-T536 WeakPolarHBondContact CB-OG1 3.35Å; K485-T536 PolarHBondContact N-O 3.03Å; K485-T536 PolarHBondContact O-N 3.49Å; L523-T536 HydrophobicContact CD1-CG2 4.3Å; Y526-T536 HydrophobicContact CD2-CG2 3.88Å
537	V	96.8	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.4	-179.7	-172.7	0	0	0	0	109.4	Y456 A482 V484 Y524 D525 F527	Y456-V537 HydrophobicContact CD1-CG1 4.11Å; Y456-V537 HydrophobicContact CD2-CG2 4.16Å; Y456-V537 HydrophobicContact CE1-CG1 3.75Å; Y456-V537 HydrophobicContact CE1-CG2 4.27Å; Y456-V537 HydrophobicContact CE2-CG2 3.89Å; Y456-V537 HydrophobicContact CG-CG2 4.45Å; A482-V537 HydrophobicContact CB-CG1 3.74Å; V484-V537 HydrophobicContact CG2-CG1 4.34Å; V484-V537 HydrophobicContact CG2-CG2 4.29Å; Y524-V537 HydrophobicContact CD2-CG1 4.4Å; Y524-V537 PolarHBondContact N-O 2.89Å; D525-V537 HydrophobicContact CB-CB 3.96Å; D525-V537 HydrophobicContact CB-CG2 3.94Å; D525-V537 PolarHBondContact N-O 2.88Å; D525-V537 PolarHBondContact O-N 3.48Å; F527-V537 HydrophobicContact CD1-CG2 4.41Å; F527-V537 HydrophobicContact CE1-CG2 3.63Å; F527-V537 HydrophobicContact CZ-CG2 4.48Å
538	L	96.9	Very high	93.5	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	158.5	-172.2	-63.7	162.5	0	0	0	111.2	A482 A483 K485 V521 K522 L523 Y540	A482-L538 WeakPolarHBondContact CA-O 3.39Å; A483-L538 HydrophobicContact CB-CB 4.25Å; A483-L538 PolarHBondContact N-O 2.92Å; A483-L538 WeakPolarHBondContact O-CB 3.44Å; A483-L538 PolarHBondContact O-N 3.13Å; K485-L538 HydrophobicContact CB-CD1 4.3Å; K485-L538 HydrophobicContact CD-CD1 4.4Å; V521-L538 HydrophobicContact CG1-CB 4Å; V521-L538 HydrophobicContact CG1-CD2 4.04Å; K522-L538 CarbonylContact O-C 3.6Å; K522-L538 WeakPolarHBondContact O-CA 3.48Å; L523-L538 HydrophobicContact CB-CD2 4.49Å; L523-L538 HydrophobicContact CD1-CD2 3.65Å; L523-L538 HydrophobicContact CD1-CG 4.35Å; L538-Y540 PolarHBondContact O-N 2.99Å
539	E	97.2	Very high	93.6	Very high	38 Å²	38	36.6 Å²	36.6	18%	0.178	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	124.9	164.2	178.1	-179.6	-156	0	0	110.5	V521 K522 Y524 K604	V521-E539 WeakPolarHBondContact CA-OE2 3.16Å; V521-E539 HydrophobicContact CG1-CB 4.01Å; K522-E539 HydrophobicContact CB-CB 4.15Å; K522-E539 PolarHBondContact N-OE2 3.07Å; K522-E539 PolarHBondContact O-N 3.12Å; Y524-E539 HydrophobicContact CE2-CB 4.18Å; E539-K604 VanDerWaalsContact CD-CE 3.47Å; E539-K604 WeakPolarHBondContact OE1-CE 3.46Å; E539-K604 IonicContact OE1-NZ 3.59Å; E539-K604 PolarHBondContact OE1-NZ 2.84Å; E539-K604 WeakPolarHBondContact OE2-CE 3.36Å; E539-K604 IonicContact OE2-NZ 2.71Å; E539-K604 PolarHBondContact OE2-NZ 3.32Å
540	Y	97	Very high	93.6	Very high	42 Å²	42	33.9 Å²	33.9	17%	0.165	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-79.7	121.1	175.3	175.9	-111.9	0	0	0	110.2	L462 K472 Y481 A483 L538 E542	L462-Y540 HydrophobicContact CD1-CD2 4.04Å; L462-Y540 HydrophobicContact CD1-CE2 3.84Å; L462-Y540 HydrophobicContact CD2-CE2 4.1Å; K472-Y540 HydrophobicContact CB-CE2 4.43Å; K472-Y540 HydrophobicContact CD-CE1 4.05Å; K472-Y540 HydrophobicContact CD-CE2 3.98Å; K472-Y540 VanDerWaalsContact CE-CZ 3.42Å; K472-Y540 HydrophobicContact CG-CD2 4.24Å; K472-Y540 HydrophobicContact CG-CE1 4.49Å; K472-Y540 HydrophobicContact CG-CE2 3.98Å; K472-Y540 VanDerWaalsContact NZ-CZ 3.31Å; K472-Y540 PolarHBondContact NZ-OH 3.05Å; Y481-Y540 HydrophobicContact CG-CD1 4.48Å; A483-Y540 HydrophobicContact CB-CD2 4.49Å; L538-Y540 PolarHBondContact O-N 2.99Å; Y540-E542 HydrophobicContact CD1-CG 4.36Å; Y540-E542 HydrophobicContact CE1-CB 4.32Å; Y540-E542 HydrophobicContact CE1-CG 3.82Å
541	C	95.6	Very high	93.6	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.088	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-95.8	136.3	166.2	-61.2	0	0	0	0	108.5	L593	C541-L593 HydrophobicContact CB-CB 4.15Å; C541-L593 HydrophobicContact CB-CD1 4.22Å
542	E	91.7	Very high	93.7	Very high	132 Å²	132	32.2 Å²	32.2	62%	0.617	16%	0.158	S	C	*	.	S	Bend	trans	-78.3	-37.7	-174.8	-55.7	-142.4	125.4	0	0	112.5	Y540 V595	Y540-E542 HydrophobicContact CD1-CG 4.36Å; Y540-E542 HydrophobicContact CE1-CB 4.32Å; Y540-E542 HydrophobicContact CE1-CG 3.82Å; E542-V595 PolarHBondContact N-O 3.34Å
543	G	91.6	Very high	93.8	Very high	13 Å²	13	36 Å²	36	13%	0.134	18%	0.175	C	C	.	.	S	Bend	trans	-78.8	168.6	176.8	0	0	0	0	0	114.3	L594 V595	G543-L594 CarbonylContact C-O 3.58Å; G543-L594 WeakPolarHBondContact CA-O 3.37Å; G543-V595 PolarHBondContact N-O 3.14Å
544	N	91.9	Very high	93.7	Very high	80 Å²	80	40.7 Å²	40.7	43%	0.428	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-82.9	172.6	180	-69.4	-85.5	0	0	0	112.1	F548 L594	N544-F548 HydrophobicContact CB-CB 3.8Å; N544-F548 HydrophobicContact CB-CD1 3.45Å; N544-F548 VanDerWaalsContact CB-CD1 3.45Å; N544-F548 HydrophobicContact CB-CD2 4.13Å; N544-F548 HydrophobicContact CB-CE1 3.97Å; N544-F548 HydrophobicContact CB-CG 3.56Å; N544-F548 WeakPolarHBondContact ND2-CE1 3.45Å; N544-L594 WeakPolarHBondContact O-CB 3.43Å; N544-L594 PolarHBondContact O-N 2.89Å
545	D	95.3	Very high	93.7	Very high	37 Å²	37	43.7 Å²	43.7	20%	0.198	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-70.2	165.7	171.6	65.7	80.6	0	0	0	113.8	D547 F548 Y549 I592 L593	D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 PolarHBondContact O-N 2.77Å; D545-D547 WeakPolarHBondContact OD1-CA 3.32Å; D545-D547 VanDerWaalsContact OD1-CB 3.26Å; D545-D547 WeakPolarHBondContact OD1-CB 3.43Å; D545-D547 PolarHBondContact OD1-N 3.48Å; D545-F548 WeakPolarHBondContact O-CB 3.21Å; D545-F548 PolarHBondContact O-N 3.38Å; D545-F548 PolarHBondContact OD1-N 3.43Å; D545-Y549 PolarHBondContact O-N 3.32Å; D545-Y549 VanDerWaalsContact O-N 3.1Å; D545-I592 CarbonylContact C-O 3.58Å; D545-I592 VanDerWaalsContact CA-O 3.27Å; D545-I592 WeakPolarHBondContact CA-O 3.45Å; D545-L593 HydrophobicContact CB-CD2 4.43Å
546	L	97.3	Very high	93.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-71.2	-24.2	-178.8	177.9	66.1	0	0	0	113	Y549 L550 M556 I564 P589 I592 I663	L546-Y549 HydrophobicContact CD1-CD1 4.49Å; L546-Y549 PolarHBondContact O-N 2.55Å; L546-L550 HydrophobicContact CD1-CD1 4.32Å; L546-L550 HydrophobicContact CD1-CG 4.17Å; L546-L550 HydrophobicContact CG-CD1 4.08Å; L546-L550 HydrophobicContact CG-CG 4.38Å; L546-L550 WeakPolarHBondContact O-CB 3.13Å; L546-L550 VanDerWaalsContact O-CG 3.26Å; L546-L550 WeakPolarHBondContact O-CG 3.22Å; L546-L550 PolarHBondContact O-N 3Å; L546-M556 HydrophobicContact CD1-CE 3.46Å; L546-M556 VanDerWaalsContact CD1-CE 3.46Å; L546-I564 HydrophobicContact CD1-CD1 3.92Å; L546-I564 HydrophobicContact CD2-CG2 4.19Å; L546-P589 HydrophobicContact CB-CB 3.98Å; L546-P589 WeakPolarHBondContact CB-O 3.19Å; L546-P589 HydrophobicContact CD2-CB 4.13Å; L546-P589 HydrophobicContact CG-CB 3.92Å; L546-P589 PolarHBondContact N-O 2.98Å; L546-P589 VanDerWaalsContact N-O 3.08Å; L546-I592 HydrophobicContact CB-CB 4.12Å; L546-I592 HydrophobicContact CB-CG2 4.19Å; L546-I592 HydrophobicContact CD2-CB 4.42Å; L546-I592 HydrophobicContact CD2-CD1 4.06Å; L546-I592 HydrophobicContact CD2-CG2 4.27Å; L546-I592 PolarHBondContact N-O 3.34Å; L546-I663 HydrophobicContact CD2-CG2 4.09Å
547	D	94.8	Very high	93.8	Very high	39 Å²	39	46.5 Å²	46.5	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-40.4	171.9	170.6	73	0	0	0	110.9	D545 K551 P589	D545-D547 VanDerWaalsContact C-N 3.34Å; D545-D547 PolarHBondContact O-N 2.77Å; D545-D547 WeakPolarHBondContact OD1-CA 3.32Å; D545-D547 VanDerWaalsContact OD1-CB 3.26Å; D545-D547 WeakPolarHBondContact OD1-CB 3.43Å; D545-D547 PolarHBondContact OD1-N 3.48Å; D547-K551 VanDerWaalsContact CG-NZ 3.28Å; D547-K551 WeakPolarHBondContact O-CB 3.5Å; D547-K551 WeakPolarHBondContact O-CD 3.47Å; D547-K551 VanDerWaalsContact O-CG 3.29Å; D547-K551 WeakPolarHBondContact O-CG 3.38Å; D547-K551 PolarHBondContact O-N 2.78Å; D547-K551 WeakPolarHBondContact OD1-CE 3.37Å; D547-K551 IonicContact OD1-NZ 2.71Å; D547-K551 PolarHBondContact OD1-NZ 3.17Å; D547-K551 VanDerWaalsContact OD1-NZ 3.15Å; D547-K551 VanDerWaalsContact OD2-CE 3.32Å; D547-K551 WeakPolarHBondContact OD2-CE 3.38Å; D547-K551 IonicContact OD2-NZ 3.88Å; D547-K551 PolarHBondContact OD2-NZ 3.17Å; D547-P589 HydrophobicContact CB-CB 3.93Å; D547-P589 PolarHBondContact N-O 3.06Å
548	F	92.7	Very high	93.8	Very high	29 Å²	29	49 Å²	49	13%	0.127	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-48.5	170.5	-177.6	-78	0	0	0	111.4	L430 R433 N544 D545 K551 Q552	L430-F548 HydrophobicContact CD2-CD2 4.43Å; L430-F548 HydrophobicContact CD2-CE1 4.22Å; L430-F548 HydrophobicContact CD2-CE2 3.62Å; L430-F548 HydrophobicContact CD2-CZ 3.5Å; R433-F548 VanDerWaalsContact CZ-CD2 3.48Å; N544-F548 HydrophobicContact CB-CB 3.8Å; N544-F548 HydrophobicContact CB-CD1 3.45Å; N544-F548 VanDerWaalsContact CB-CD1 3.45Å; N544-F548 HydrophobicContact CB-CD2 4.13Å; N544-F548 HydrophobicContact CB-CE1 3.97Å; N544-F548 HydrophobicContact CB-CG 3.56Å; N544-F548 WeakPolarHBondContact ND2-CE1 3.45Å; D545-F548 WeakPolarHBondContact O-CB 3.21Å; D545-F548 PolarHBondContact O-N 3.38Å; D545-F548 PolarHBondContact OD1-N 3.43Å; F548-K551 PolarHBondContact O-N 2.84Å; F548-Q552 HydrophobicContact CD1-CG 4.41Å; F548-Q552 HydrophobicContact CE1-CG 4.2Å; F548-Q552 PolarHBondContact O-N 3.39Å
549	Y	94.1	Very high	93.8	Very high	27 Å²	27	56.8 Å²	56.8	11%	0.106	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-48.3	178	-172.3	-88	0	0	0	112	D545 L546 K551 Q552 H553 M556 L594 A599	D545-Y549 PolarHBondContact O-N 3.32Å; D545-Y549 VanDerWaalsContact O-N 3.1Å; L546-Y549 HydrophobicContact CD1-CD1 4.49Å; L546-Y549 PolarHBondContact O-N 2.55Å; Y549-K551 VanDerWaalsContact C-N 3.29Å; Y549-K551 PolarHBondContact O-N 3.42Å; Y549-Q552 PolarHBondContact O-N 2.83Å; Y549-H553 HydrophobicContact CD1-CB 4.26Å; Y549-H553 AromaticContact CD1-CD2 3.97Å; Y549-H553 AromaticContact CD2-CD2 3.68Å; Y549-H553 HydrophobicContact CE1-CB 3.87Å; Y549-H553 AromaticContact CE1-CD2 3.78Å; Y549-H553 AromaticContact CE1-CG 3.87Å; Y549-H553 AromaticContact CE2-CD2 3.48Å; Y549-H553 VanDerWaalsContact CE2-CD2 3.48Å; Y549-H553 WeakPolarHBondContact CE2-CD2 3.37Å; Y549-H553 AromaticContact CE2-NE2 3.71Å; Y549-H553 AromaticContact CG-CD2 3.92Å; Y549-H553 AromaticContact CZ-CD2 3.54Å; Y549-H553 AromaticContact CZ-CG 3.79Å; Y549-H553 PolarHBondContact O-CD2 2.95Å; Y549-H553 PolarHBondContact O-N 3.27Å; Y549-M556 HydrophobicContact CD1-CE 3.83Å; Y549-M556 HydrophobicContact CE1-CB 4.41Å; Y549-M556 HydrophobicContact CE1-CE 3.84Å; Y549-L594 HydrophobicContact CD2-CD1 3.55Å; Y549-L594 HydrophobicContact CE2-CD1 4.33Å; Y549-L594 HydrophobicContact CG-CD1 3.71Å; Y549-A599 HydrophobicContact CE1-CB 3.8Å; Y549-A599 HydrophobicContact CE2-CB 4.12Å
550	L	93.8	Very high	93.8	Very high	11 Å²	11	57.5 Å²	57.5	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-31.4	179.6	-69.8	170.3	0	0	0	112.4	L546 Q552 K554 M556 P589 Q666	L546-L550 HydrophobicContact CD1-CD1 4.32Å; L546-L550 HydrophobicContact CD1-CG 4.17Å; L546-L550 HydrophobicContact CG-CD1 4.08Å; L546-L550 HydrophobicContact CG-CG 4.38Å; L546-L550 WeakPolarHBondContact O-CB 3.13Å; L546-L550 VanDerWaalsContact O-CG 3.26Å; L546-L550 WeakPolarHBondContact O-CG 3.22Å; L546-L550 PolarHBondContact O-N 3Å; L550-Q552 VanDerWaalsContact C-N 3.3Å; L550-Q552 PolarHBondContact O-N 2.85Å; L550-K554 WeakPolarHBondContact O-CA 3.47Å; L550-K554 PolarHBondContact O-N 3.45Å; L550-M556 HydrophobicContact CD2-CE 4.04Å; L550-P589 HydrophobicContact CD1-CB 4.31Å; L550-P589 HydrophobicContact CD1-CG 4.33Å; L550-Q666 HydrophobicContact CD1-CG 4.14Å
551	K	89.9	Confident	93.8	Very high	116 Å²	116	55.5 Å²	55.5	50%	0.504	27%	0.269	S	S	.	.	H	α-helix	trans	-68.1	-25.6	172	-76.1	166.5	179.4	168.3	0	113.6	D547 F548 Y549	D547-K551 VanDerWaalsContact CG-NZ 3.28Å; D547-K551 WeakPolarHBondContact O-CB 3.5Å; D547-K551 WeakPolarHBondContact O-CD 3.47Å; D547-K551 VanDerWaalsContact O-CG 3.29Å; D547-K551 WeakPolarHBondContact O-CG 3.38Å; D547-K551 PolarHBondContact O-N 2.78Å; D547-K551 WeakPolarHBondContact OD1-CE 3.37Å; D547-K551 IonicContact OD1-NZ 2.71Å; D547-K551 PolarHBondContact OD1-NZ 3.17Å; D547-K551 VanDerWaalsContact OD1-NZ 3.15Å; D547-K551 VanDerWaalsContact OD2-CE 3.32Å; D547-K551 WeakPolarHBondContact OD2-CE 3.38Å; D547-K551 IonicContact OD2-NZ 3.88Å; D547-K551 PolarHBondContact OD2-NZ 3.17Å; F548-K551 PolarHBondContact O-N 2.84Å; Y549-K551 VanDerWaalsContact C-N 3.29Å; Y549-K551 PolarHBondContact O-N 3.42Å
552	Q	89.3	Confident	93.9	Very high	55 Å²	55	57 Å²	57	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-86.7	-44.1	174.5	-68.6	-177.6	-41.8	0	0	112.5	R426 L430 F548 Y549 L550	R426-Q552 WeakPolarHBondContact CD-O 3.39Å; R426-Q552 PolarHBondContact NH1-O 2.97Å; L430-Q552 HydrophobicContact CD1-CG 4.14Å; L430-Q552 HydrophobicContact CD2-CG 3.96Å; L430-Q552 HydrophobicContact CG-CG 4.46Å; F548-Q552 HydrophobicContact CD1-CG 4.41Å; F548-Q552 HydrophobicContact CE1-CG 4.2Å; F548-Q552 PolarHBondContact O-N 3.39Å; Y549-Q552 PolarHBondContact O-N 2.83Å; L550-Q552 VanDerWaalsContact C-N 3.3Å; L550-Q552 PolarHBondContact O-N 2.85Å
553	H	90.5	Very high	94.1	Very high	94 Å²	94	52.6 Å²	52.6	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-97.8	-9.1	-170.3	-65.8	-82.5	0	0	0	114.1	Y549 L555	Y549-H553 HydrophobicContact CD1-CB 4.26Å; Y549-H553 AromaticContact CD1-CD2 3.97Å; Y549-H553 AromaticContact CD2-CD2 3.68Å; Y549-H553 HydrophobicContact CE1-CB 3.87Å; Y549-H553 AromaticContact CE1-CD2 3.78Å; Y549-H553 AromaticContact CE1-CG 3.87Å; Y549-H553 AromaticContact CE2-CD2 3.48Å; Y549-H553 VanDerWaalsContact CE2-CD2 3.48Å; Y549-H553 WeakPolarHBondContact CE2-CD2 3.37Å; Y549-H553 AromaticContact CE2-NE2 3.71Å; Y549-H553 AromaticContact CG-CD2 3.92Å; Y549-H553 AromaticContact CZ-CD2 3.54Å; Y549-H553 AromaticContact CZ-CG 3.79Å; Y549-H553 PolarHBondContact O-CD2 2.95Å; Y549-H553 PolarHBondContact O-N 3.27Å; H553-L555 PolarHBondContact O-N 3.48Å
554	K	88.6	Confident	94.5	Very high	107 Å²	107	52 Å²	52	47%	0.465	25%	0.251	S	S	.	.	S	Bend	trans	68.6	-51.1	-175.9	-158.9	174.5	-166.6	169.4	0	112.5	E422 L550 G670	E422-K554 IonicContact OE1-NZ 2.71Å; E422-K554 PolarHBondContact OE1-NZ 2.95Å; E422-K554 IonicContact OE2-NZ 2.86Å; E422-K554 PolarHBondContact OE2-NZ 3.1Å; L550-K554 WeakPolarHBondContact O-CA 3.47Å; L550-K554 PolarHBondContact O-N 3.45Å; K554-G670 WeakPolarHBondContact O-CA 3.37Å
555	L	92.8	Very high	94.8	Very high	65 Å²	65	48.2 Å²	48.2	34%	0.34	23%	0.231	S	C	.	.	S	Bend	trans	-151.1	176.3	175.3	58	81.7	0	0	0	109.8	H553 C667 P701	H553-L555 PolarHBondContact O-N 3.48Å; L555-C667 WeakPolarHBondContact CA-O 3.4Å; L555-P701 HydrophobicContact CD2-CG 4.08Å
556	M	95.5	Very high	94.9	Very high	10 Å²	10	49 Å²	49	5%	0.049	23%	0.233	C	C	.	.			trans	-134	169.7	174.4	65.6	177.5	71.1	0	0	111.7	L546 Y549 L550 E560 A561 I564 A599 C667	L546-M556 HydrophobicContact CD1-CE 3.46Å; L546-M556 VanDerWaalsContact CD1-CE 3.46Å; Y549-M556 HydrophobicContact CD1-CE 3.83Å; Y549-M556 HydrophobicContact CE1-CB 4.41Å; Y549-M556 HydrophobicContact CE1-CE 3.84Å; L550-M556 HydrophobicContact CD2-CE 4.04Å; M556-E560 HydrophobicContact CB-CB 4.24Å; M556-E560 HydrophobicContact CG-CB 4.22Å; M556-E560 HydrophobicContact SD-CB 3.82Å; M556-A561 HydrophobicContact CG-CB 3.91Å; M556-A561 VanDerWaalsContact SD-CA 3.57Å; M556-A561 HydrophobicContact SD-CB 3.93Å; M556-A561 PolarHBondContact SD-N 3.4Å; M556-A561 VanDerWaalsContact SD-N 3.43Å; M556-I564 HydrophobicContact CE-CD1 3.78Å; M556-I564 HydrophobicContact SD-CD1 3.81Å; M556-A599 HydrophobicContact CE-CB 4.14Å; M556-A599 HydrophobicContact SD-CB 4.22Å; M556-C667 HydrophobicContact CE-CB 4.29Å; M556-C667 HydrophobicContact CG-CB 3.94Å; M556-C667 PolarHBondContact N-O 3.49Å; M556-C667 HydrophobicContact SD-CB 4.03Å
557	S	96.5	Very high	94.9	Very high	54 Å²	54	50 Å²	50	38%	0.378	24%	0.239	S	C	.	.			trans	-67.5	155.4	177.7	70.6	0	0	0	0	112.1	K559 E560 A561	S557-K559 PolarHBondContact O-N 2.87Å; S557-E560 WeakPolarHBondContact CB-OE2 3.32Å; S557-E560 PolarHBondContact N-OE2 3.12Å; S557-E560 PolarHBondContact O-N 2.82Å; S557-E560 VanDerWaalsContact O-N 3.16Å; S557-E560 VanDerWaalsContact OG-CD 3.3Å; S557-E560 WeakPolarHBondContact OG-CG 3.49Å; S557-E560 PolarHBondContact OG-N 2.82Å; S557-E560 PolarHBondContact OG-OE2 3.4Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 3.31Å
558	E	97.2	Very high	95.1	Very high	53 Å²	53	48.2 Å²	48.2	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-33.7	175.9	-172.4	176.8	133.1	0	0	112.3	R562 L668 V703 S704 A707 Y733	E558-R562 WeakPolarHBondContact O-CB 3.38Å; E558-R562 PolarHBondContact O-N 2.85Å; E558-L668 HydrophobicContact CB-CD2 3.98Å; E558-L668 HydrophobicContact CG-CD2 4.16Å; E558-V703 WeakPolarHBondContact OE2-CA 3.43Å; E558-S704 VanDerWaalsContact OE1-CB 3.24Å; E558-S704 WeakPolarHBondContact OE1-CB 3.4Å; E558-S704 PolarHBondContact OE1-OG 3.4Å; E558-S704 PolarHBondContact OE2-N 3.43Å; E558-S704 PolarHBondContact OE2-OG 2.95Å; E558-A707 HydrophobicContact CG-CB 4.29Å; E558-Y733 WeakPolarHBondContact CG-OH 3.42Å; E558-Y733 PolarHBondContact OE1-OH 2.91Å
559	K	96.3	Very high	95.4	Very high	177 Å²	177	46.9 Å²	46.9	77%	0.77	22%	0.223	S	C	*	.	H	α-helix	trans	-67.6	-43.8	177.9	-172.9	-179.1	176.9	-173.4	0	112.7	S557 S563	S557-K559 PolarHBondContact O-N 2.87Å; K559-S563 PolarHBondContact O-N 3.5Å; K559-S563 VanDerWaalsContact O-N 3.07Å
560	E	96.8	Very high	95.6	Very high	53 Å²	53	49.6 Å²	49.6	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-49.9	175.7	-69.1	160	124.5	0	0	110.4	M556 S557 R562 S563 I564 A599	M556-E560 HydrophobicContact CB-CB 4.24Å; M556-E560 HydrophobicContact CG-CB 4.22Å; M556-E560 HydrophobicContact SD-CB 3.82Å; S557-E560 WeakPolarHBondContact CB-OE2 3.32Å; S557-E560 PolarHBondContact N-OE2 3.12Å; S557-E560 PolarHBondContact O-N 2.82Å; S557-E560 VanDerWaalsContact O-N 3.16Å; S557-E560 VanDerWaalsContact OG-CD 3.3Å; S557-E560 WeakPolarHBondContact OG-CG 3.49Å; S557-E560 PolarHBondContact OG-N 2.82Å; S557-E560 PolarHBondContact OG-OE2 3.4Å; E560-R562 VanDerWaalsContact C-N 3.28Å; E560-R562 PolarHBondContact O-N 2.92Å; E560-S563 WeakPolarHBondContact O-CA 3.33Å; E560-S563 WeakPolarHBondContact O-CB 3.3Å; E560-S563 PolarHBondContact O-N 2.92Å; E560-I564 PolarHBondContact O-N 2.64Å; E560-A599 HydrophobicContact CB-CB 4.14Å; E560-A599 HydrophobicContact CG-CB 4.33Å
561	A	97.9	Very high	95.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-41.8	179.1	0	0	0	0	0	111.8	M556 S557 I564 V565 F664 C667 L668	M556-A561 HydrophobicContact CG-CB 3.91Å; M556-A561 VanDerWaalsContact SD-CA 3.57Å; M556-A561 HydrophobicContact SD-CB 3.93Å; M556-A561 PolarHBondContact SD-N 3.4Å; M556-A561 VanDerWaalsContact SD-N 3.43Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 3.31Å; A561-I564 PolarHBondContact O-N 3.02Å; A561-V565 VanDerWaalsContact O-CG2 3.3Å; A561-V565 WeakPolarHBondContact O-CG2 3.07Å; A561-V565 PolarHBondContact O-N 2.94Å; A561-F664 HydrophobicContact CB-CD2 3.81Å; A561-F664 HydrophobicContact CB-CE2 3.62Å; A561-C667 HydrophobicContact CB-CB 3.7Å; A561-L668 HydrophobicContact CB-CD2 3.73Å; A561-L668 HydrophobicContact CB-CG 4.32Å
562	R	97.5	Very high	96.2	Very high	45 Å²	45	43.5 Å²	43.5	17%	0.17	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-40.1	173.9	-175.5	-177	177.5	-75.7	-3.3	112.4	E558 E560 V565 M566 Y733 L734 L735	E558-R562 WeakPolarHBondContact O-CB 3.38Å; E558-R562 PolarHBondContact O-N 2.85Å; E560-R562 VanDerWaalsContact C-N 3.28Å; E560-R562 PolarHBondContact O-N 2.92Å; R562-V565 PolarHBondContact O-N 2.92Å; R562-M566 PolarHBondContact NH1-SD 3.44Å; R562-M566 WeakPolarHBondContact O-CG 3.43Å; R562-M566 PolarHBondContact O-N 3.37Å; R562-Y733 HydrophobicContact CB-CE1 4.34Å; R562-Y733 HydrophobicContact CG-CE1 3.86Å; R562-Y733 PolarHBondContact NE-O 3.26Å; R562-Y733 PolarHBondContact NH2-O 3.46Å; R562-L734 PolarHBondContact NH2-O 2.82Å; R562-L735 PolarHBondContact NH2-O 2.85Å
563	S	96.8	Very high	96.6	Very high	39 Å²	39	45.8 Å²	45.8	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-44.9	176.8	-175.7	0	0	0	0	111.6	K559 E560 M566 Q567	K559-S563 PolarHBondContact O-N 3.5Å; K559-S563 VanDerWaalsContact O-N 3.07Å; E560-S563 WeakPolarHBondContact O-CA 3.33Å; E560-S563 WeakPolarHBondContact O-CB 3.3Å; E560-S563 PolarHBondContact O-N 2.92Å; S563-M566 PolarHBondContact O-N 2.87Å; S563-Q567 WeakPolarHBondContact O-CG 3.44Å; S563-Q567 PolarHBondContact O-N 3.15Å
564	I	98	Very high	97	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-47.1	176.2	-65	-178.3	0	0	0	110.7	L546 M556 E560 A561 M566 Q567 I568 I592 L594 A599 I603	L546-I564 HydrophobicContact CD1-CD1 3.92Å; L546-I564 HydrophobicContact CD2-CG2 4.19Å; M556-I564 HydrophobicContact CE-CD1 3.78Å; M556-I564 HydrophobicContact SD-CD1 3.81Å; E560-I564 PolarHBondContact O-N 2.64Å; A561-I564 PolarHBondContact O-N 3.02Å; I564-M566 PolarHBondContact O-N 2.94Å; I564-Q567 PolarHBondContact O-N 2.94Å; I564-Q567 VanDerWaalsContact O-N 3.15Å; I564-I568 HydrophobicContact CG2-CD1 3.73Å; I564-I568 HydrophobicContact CG2-CG1 4.38Å; I564-I568 WeakPolarHBondContact O-CG1 3.35Å; I564-I568 PolarHBondContact O-N 2.88Å; I564-I592 HydrophobicContact CG2-CG2 4.46Å; I564-L594 HydrophobicContact CD1-CD2 4.1Å; I564-A599 HydrophobicContact CD1-CB 4.16Å; I564-I603 HydrophobicContact CG1-CG2 4.13Å; I564-I603 HydrophobicContact CG2-CG2 4.46Å
565	V	98.3	Very high	97.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-43.7	178.9	169.5	0	0	0	0	112.4	A561 R562 Q567 I568 V569 V660 F664 F710 L734	A561-V565 VanDerWaalsContact O-CG2 3.3Å; A561-V565 WeakPolarHBondContact O-CG2 3.07Å; A561-V565 PolarHBondContact O-N 2.94Å; R562-V565 PolarHBondContact O-N 2.92Å; V565-Q567 VanDerWaalsContact C-N 3.26Å; V565-Q567 PolarHBondContact O-N 3.31Å; V565-I568 PolarHBondContact O-N 3.5Å; V565-V569 HydrophobicContact CG1-CG2 4.14Å; V565-V569 WeakPolarHBondContact O-CB 3.28Å; V565-V569 VanDerWaalsContact O-CG2 3.32Å; V565-V569 WeakPolarHBondContact O-CG2 3.46Å; V565-V569 PolarHBondContact O-N 3.47Å; V565-V660 HydrophobicContact CG1-CG1 3.87Å; V565-F664 HydrophobicContact CG2-CB 3.65Å; V565-F664 HydrophobicContact CG2-CD2 3.58Å; V565-F664 HydrophobicContact CG2-CE2 4.45Å; V565-F664 HydrophobicContact CG2-CG 3.73Å; V565-F710 HydrophobicContact CG1-CE1 3.89Å; V565-F710 HydrophobicContact CG1-CZ 3.7Å; V565-L734 HydrophobicContact CG1-CD1 4.4Å; V565-L734 HydrophobicContact CG1-CD2 3.85Å
566	M	97.8	Very high	97.6	Very high	52 Å²	52	35.9 Å²	35.9	26%	0.256	17%	0.171	S	C	.	.	H	α-helix	trans	-56.7	-41.9	175.4	-74	178	68.8	0	0	112	R562 S563 I564 N570 L734	R562-M566 PolarHBondContact NH1-SD 3.44Å; R562-M566 WeakPolarHBondContact O-CG 3.43Å; R562-M566 PolarHBondContact O-N 3.37Å; S563-M566 PolarHBondContact O-N 2.87Å; I564-M566 PolarHBondContact O-N 2.94Å; M566-N570 VanDerWaalsContact O-CG 3.31Å; M566-N570 PolarHBondContact O-N 2.94Å; M566-L734 VanDerWaalsContact CE-O 3.28Å; M566-L734 WeakPolarHBondContact CE-O 3.45Å; M566-L734 HydrophobicContact CG-CB 4.21Å; M566-L734 HydrophobicContact CG-CD2 3.99Å
567	Q	98.4	Very high	97.7	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.107	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-38.9	179.4	-69.3	-176.6	75.7	0	0	112.6	R519 S563 I564 V565 A571 G601 I603	R519-Q567 HydrophobicContact CG-CB 4.41Å; S563-Q567 WeakPolarHBondContact O-CG 3.44Å; S563-Q567 PolarHBondContact O-N 3.15Å; I564-Q567 PolarHBondContact O-N 2.94Å; I564-Q567 VanDerWaalsContact O-N 3.15Å; V565-Q567 VanDerWaalsContact C-N 3.26Å; V565-Q567 PolarHBondContact O-N 3.31Å; Q567-A571 PolarHBondContact O-N 3.04Å; Q567-G601 PolarHBondContact NE2-O 3.43Å; Q567-I603 HydrophobicContact CB-CD1 3.75Å; Q567-I603 HydrophobicContact CB-CG1 3.42Å; Q567-I603 VanDerWaalsContact CB-CG1 3.42Å; Q567-I603 HydrophobicContact CG-CG1 4.26Å
568	I	98.7	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.2	-46.4	174	-63	161.9	0	0	0	110.4	I564 V565 N570 A571 L572 L587 I592 I603 V660 I663	I564-I568 HydrophobicContact CG2-CD1 3.73Å; I564-I568 HydrophobicContact CG2-CG1 4.38Å; I564-I568 WeakPolarHBondContact O-CG1 3.35Å; I564-I568 PolarHBondContact O-N 2.88Å; V565-I568 PolarHBondContact O-N 3.5Å; I568-N570 VanDerWaalsContact C-N 3.31Å; I568-N570 PolarHBondContact O-N 2.72Å; I568-A571 WeakPolarHBondContact O-CA 3.1Å; I568-A571 WeakPolarHBondContact O-CB 3.45Å; I568-A571 PolarHBondContact O-N 2.86Å; I568-L572 HydrophobicContact CG2-CD1 4.21Å; I568-L572 HydrophobicContact CG2-CG 4.38Å; I568-L572 PolarHBondContact O-N 3.32Å; I568-L587 HydrophobicContact CG2-CD1 3.93Å; I568-L587 HydrophobicContact CG2-CD2 4.49Å; I568-I592 HydrophobicContact CD1-CD1 3.52Å; I568-I592 HydrophobicContact CD1-CG1 4.24Å; I568-I592 HydrophobicContact CG1-CD1 4.22Å; I568-I592 HydrophobicContact CG1-CG1 4.44Å; I568-I603 HydrophobicContact CG1-CD1 3.88Å; I568-V660 HydrophobicContact CG2-CG2 3.8Å; I568-I663 HydrophobicContact CD1-CG2 4.34Å
569	V	98.6	Very high	97.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-65.3	-34.9	-178.9	173.8	0	0	0	0	111.5	V565 L572 R573 V660 L728 A729 L734	V565-V569 HydrophobicContact CG1-CG2 4.14Å; V565-V569 WeakPolarHBondContact O-CB 3.28Å; V565-V569 VanDerWaalsContact O-CG2 3.32Å; V565-V569 WeakPolarHBondContact O-CG2 3.46Å; V565-V569 PolarHBondContact O-N 3.47Å; V569-L572 PolarHBondContact O-N 2.97Å; V569-R573 VanDerWaalsContact O-CB 3.3Å; V569-R573 WeakPolarHBondContact O-CB 3.43Å; V569-R573 PolarHBondContact O-N 2.91Å; V569-V660 HydrophobicContact CG2-CG1 4.17Å; V569-L728 HydrophobicContact CG1-CD2 4.45Å; V569-L728 HydrophobicContact CG1-CG 4.34Å; V569-L728 HydrophobicContact CG2-CD2 3.67Å; V569-L728 HydrophobicContact CG2-CG 4.12Å; V569-A729 HydrophobicContact CG1-CB 3.88Å; V569-L734 HydrophobicContact CB-CD1 4.09Å; V569-L734 HydrophobicContact CG1-CD1 4.02Å; V569-L734 HydrophobicContact CG2-CD1 3.92Å
570	N	98.2	Very high	97.2	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-62.5	-39.9	170.1	-74.9	-12.9	0	0	0	112.5	M566 I568 Y574	M566-N570 VanDerWaalsContact O-CG 3.31Å; M566-N570 PolarHBondContact O-N 2.94Å; I568-N570 VanDerWaalsContact C-N 3.31Å; I568-N570 PolarHBondContact O-N 2.72Å; N570-Y574 PolarHBondContact O-N 2.83Å; N570-Y574 VanDerWaalsContact O-N 3.14Å
571	A	98.6	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-44.2	175	0	0	0	0	0	112.2	R519 I520 Q567 I568 R573 Y574 L575 I605	R519-A571 HydrophobicContact CB-CB 3.97Å; I520-A571 HydrophobicContact CG1-CB 4.14Å; Q567-A571 PolarHBondContact O-N 3.04Å; I568-A571 WeakPolarHBondContact O-CA 3.1Å; I568-A571 WeakPolarHBondContact O-CB 3.45Å; I568-A571 PolarHBondContact O-N 2.86Å; A571-R573 VanDerWaalsContact C-N 3.35Å; A571-R573 PolarHBondContact O-N 2.8Å; A571-Y574 PolarHBondContact O-N 3.38Å; A571-L575 WeakPolarHBondContact O-CG 3.19Å; A571-L575 PolarHBondContact O-N 2.88Å; A571-I605 HydrophobicContact CB-CD1 3.67Å; A571-I605 HydrophobicContact CB-CG1 4.04Å; A571-I605 HydrophobicContact CB-CG2 4.49Å
572	L	98.6	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-40.2	176.2	-72.6	178.7	0	0	0	112.4	I568 V569 L575 N576 H584 L587 D656 V660 V725	I568-L572 HydrophobicContact CG2-CD1 4.21Å; I568-L572 HydrophobicContact CG2-CG 4.38Å; I568-L572 PolarHBondContact O-N 3.32Å; V569-L572 PolarHBondContact O-N 2.97Å; L572-L575 HydrophobicContact CD2-CD1 4.32Å; L572-L575 PolarHBondContact O-N 3.07Å; L572-N576 PolarHBondContact O-N 2.74Å; L572-N576 PolarHBondContact O-ND2 2.84Å; L572-H584 HydrophobicContact CD2-CB 4.45Å; L572-L587 HydrophobicContact CD1-CD1 3.83Å; L572-L587 HydrophobicContact CD2-CD1 3.77Å; L572-L587 HydrophobicContact CG-CD1 4.07Å; L572-D656 HydrophobicContact CD1-CB 3.93Å; L572-D656 HydrophobicContact CD2-CB 3.72Å; L572-D656 HydrophobicContact CG-CB 4.49Å; L572-V660 HydrophobicContact CD1-CG2 3.61Å; L572-V725 HydrophobicContact CB-CG1 3.81Å; L572-V725 HydrophobicContact CB-CG2 4.36Å
573	R	98	Very high	96.9	Very high	103 Å²	103	38.7 Å²	38.7	39%	0.389	19%	0.19	S	C	.	.	H	α-helix	trans	-57.7	-50.2	174.5	178	-177.2	169.5	164.6	4.2	110.7	V569 A571 L575 N576 E577 A729	V569-R573 VanDerWaalsContact O-CB 3.3Å; V569-R573 WeakPolarHBondContact O-CB 3.43Å; V569-R573 PolarHBondContact O-N 2.91Å; A571-R573 VanDerWaalsContact C-N 3.35Å; A571-R573 PolarHBondContact O-N 2.8Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 2.84Å; R573-N576 CarbonylContact O-C 3.29Å; R573-N576 WeakPolarHBondContact O-CA 3.23Å; R573-N576 PolarHBondContact O-N 3.03Å; R573-E577 HydrophobicContact CG-CG 4.35Å; R573-E577 IonicContact CZ-OE1 2.91Å; R573-E577 IonicContact NE-OE1 3.14Å; R573-E577 PolarHBondContact NE-OE1 3.18Å; R573-E577 IonicContact NE-OE2 2.9Å; R573-E577 PolarHBondContact NE-OE2 3.25Å; R573-E577 IonicContact NH2-OE1 2.82Å; R573-E577 PolarHBondContact NH2-OE1 2.82Å; R573-E577 WeakPolarHBondContact O-CG 3.43Å; R573-E577 PolarHBondContact O-N 3.42Å; R573-A729 HydrophobicContact CB-CB 4.32Å; R573-A729 HydrophobicContact CG-CB 4.43Å
574	Y	98.4	Very high	96.8	Very high	43 Å²	43	36.8 Å²	36.8	17%	0.169	18%	0.177	C	C	.	.	H	α-helix	trans	-55.7	-46.8	174.7	166.5	-95.5	0	0	0	111.9	L515 D516 H517 I520 N570 A571 N576 E577 I578	L515-Y574 HydrophobicContact CB-CE1 4.36Å; L515-Y574 HydrophobicContact CD2-CE1 4.09Å; D516-Y574 PolarHBondContact N-OH 3.29Å; H517-Y574 HydrophobicContact CB-CD1 3.66Å; H517-Y574 HydrophobicContact CB-CD2 4.12Å; H517-Y574 HydrophobicContact CB-CE1 3.82Å; H517-Y574 HydrophobicContact CB-CE2 4.27Å; H517-Y574 HydrophobicContact CB-CG 3.81Å; H517-Y574 AromaticContact CD2-CG 3.87Å; H517-Y574 AromaticContact CG-CG 3.86Å; I520-Y574 HydrophobicContact CD1-CD1 3.58Å; I520-Y574 HydrophobicContact CD1-CE1 3.81Å; N570-Y574 PolarHBondContact O-N 2.83Å; N570-Y574 VanDerWaalsContact O-N 3.14Å; A571-Y574 PolarHBondContact O-N 3.38Å; Y574-N576 PolarHBondContact O-N 2.71Å; Y574-N576 VanDerWaalsContact O-N 3.13Å; Y574-E577 PolarHBondContact O-N 3.17Å; Y574-I578 HydrophobicContact CD2-CG2 4.19Å; Y574-I578 HydrophobicContact CE1-CD1 4.34Å; Y574-I578 HydrophobicContact CE1-CG2 4.15Å; Y574-I578 HydrophobicContact CE2-CG2 3.66Å; Y574-I578 PolarHBondContact O-N 3.12Å; Y574-I578 VanDerWaalsContact O-N 3.1Å
575	L	97.9	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-22	176.3	-68.1	173.9	0	0	0	113.9	L515 I520 A571 L572 R573 I578 P581 I582 I605 F608	L515-L575 HydrophobicContact CD1-CD2 3.87Å; L515-L575 HydrophobicContact CD2-CD2 3.84Å; I520-L575 HydrophobicContact CD1-CD2 3.92Å; I520-L575 HydrophobicContact CD1-CG 4.1Å; A571-L575 WeakPolarHBondContact O-CG 3.19Å; A571-L575 PolarHBondContact O-N 2.88Å; L572-L575 HydrophobicContact CD2-CD1 4.32Å; L572-L575 PolarHBondContact O-N 3.07Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 2.84Å; L575-I578 HydrophobicContact CD2-CD1 4.07Å; L575-I578 WeakPolarHBondContact O-CG1 3.38Å; L575-P581 CarbonylContact O-C 3.45Å; L575-P581 WeakPolarHBondContact O-CA 3.39Å; L575-I582 HydrophobicContact CB-CB 4.47Å; L575-I582 HydrophobicContact CD2-CB 4.33Å; L575-I582 HydrophobicContact CD2-CG2 4.23Å; L575-I582 PolarHBondContact O-N 3.19Å; L575-I605 HydrophobicContact CD1-CD1 3.94Å; L575-F608 HydrophobicContact CD1-CE1 3.93Å; L575-F608 HydrophobicContact CD2-CE1 3.93Å
576	N	96.3	Very high	96.7	Very high	14 Å²	14	36.9 Å²	36.9	8%	0.075	18%	0.177	C	C	.	.	H	α-helix	trans	-98.5	-9.5	176.6	-79.3	-105	0	0	0	113.8	L572 R573 Y574 N653 V725	L572-N576 PolarHBondContact O-N 2.74Å; L572-N576 PolarHBondContact O-ND2 2.84Å; R573-N576 CarbonylContact O-C 3.29Å; R573-N576 WeakPolarHBondContact O-CA 3.23Å; R573-N576 PolarHBondContact O-N 3.03Å; Y574-N576 PolarHBondContact O-N 2.71Å; Y574-N576 VanDerWaalsContact O-N 3.13Å; N576-N653 WeakPolarHBondContact OD1-CB 3.49Å; N576-N653 PolarHBondContact OD1-ND2 3.48Å; N576-V725 HydrophobicContact CB-CG1 4.27Å
577	E	96	Very high	96.7	Very high	103 Å²	103	34.5 Å²	34.5	48%	0.481	17%	0.165	S	C	.	.	H	α-helix	trans	-96.6	-24.4	176	-74.4	176.2	156.7	0	0	112.5	R573 Y574	R573-E577 HydrophobicContact CG-CG 4.35Å; R573-E577 IonicContact CZ-OE1 2.91Å; R573-E577 IonicContact NE-OE1 3.14Å; R573-E577 PolarHBondContact NE-OE1 3.18Å; R573-E577 IonicContact NE-OE2 2.9Å; R573-E577 PolarHBondContact NE-OE2 3.25Å; R573-E577 IonicContact NH2-OE1 2.82Å; R573-E577 PolarHBondContact NH2-OE1 2.82Å; R573-E577 WeakPolarHBondContact O-CG 3.43Å; R573-E577 PolarHBondContact O-N 3.42Å; Y574-E577 PolarHBondContact O-N 3.17Å
578	I	94.9	Very high	96.6	Very high	37 Å²	37	34.8 Å²	34.8	19%	0.19	17%	0.166	C	C	.	.	S	Bend	trans	-67.1	158.5	169.6	60.1	-176.3	0	0	0	112	L515 Y574 L575 P580 P581 I582	L515-I578 HydrophobicContact CD2-CD1 3.52Å; Y574-I578 HydrophobicContact CD2-CG2 4.19Å; Y574-I578 HydrophobicContact CE1-CD1 4.34Å; Y574-I578 HydrophobicContact CE1-CG2 4.15Å; Y574-I578 HydrophobicContact CE2-CG2 3.66Å; Y574-I578 PolarHBondContact O-N 3.12Å; Y574-I578 VanDerWaalsContact O-N 3.1Å; L575-I578 HydrophobicContact CD2-CD1 4.07Å; L575-I578 WeakPolarHBondContact O-CG1 3.38Å; I578-P580 CarbonylContact O-C 3.55Å; I578-P581 VanDerWaalsContact O-CA 3.29Å; I578-P581 WeakPolarHBondContact O-CA 3.34Å; I578-P581 WeakPolarHBondContact O-CD 3.44Å; I578-P581 VanDerWaalsContact O-N 3.15Å; I578-I582 HydrophobicContact CD1-CD1 3.75Å; I578-I582 HydrophobicContact CD1-CG1 4.49Å
579	K	92	Very high	96.6	Very high	199 Å²	199	34.9 Å²	34.9	87%	0.865	17%	0.167	S	C	*	.	S	Bend	trans	-124.2	126.7	-179.4	-68.5	-169.6	175.2	-167.5	0	111.3
580	P	92.8	Very high	96.5	Very high	65 Å²	65	36.1 Å²	36.1	42%	0.422	18%	0.18	S	C	.	.	S	Bend	cis	-64.9	145.1	-11.8	28.3	-35.5	0	0	0	112.1	I578 I613 D615	I578-P580 CarbonylContact O-C 3.55Å; P580-I613 HydrophobicContact CB-CG2 3.63Å; P580-I613 HydrophobicContact CG-CG2 3.33Å; P580-D615 HydrophobicContact CB-CB 4.2Å
581	P	94.4	Very high	96.4	Very high	35 Å²	35	32.8 Å²	32.8	23%	0.227	16%	0.162	C	C	.	.			trans	-68.6	155.7	178.9	24	-30.9	0	0	0	112.7	L575 I578 M614	L575-P581 CarbonylContact O-C 3.45Å; L575-P581 WeakPolarHBondContact O-CA 3.39Å; I578-P581 VanDerWaalsContact O-CA 3.29Å; I578-P581 WeakPolarHBondContact O-CA 3.34Å; I578-P581 WeakPolarHBondContact O-CD 3.44Å; I578-P581 VanDerWaalsContact O-N 3.15Å; P581-M614 HydrophobicContact CB-CE 3.76Å; P581-M614 WeakPolarHBondContact CD-O 3.44Å; P581-M614 HydrophobicContact CG-CB 4.22Å; P581-M614 HydrophobicContact CG-CE 3.98Å; P581-M614 PolarHBondContact O-N 3.34Å
582	I	95.3	Very high	96.4	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.9	-167.9	-73.7	158.8	0	0	0	111.4	I511 L515 L575 I578 K612 I613	I511-I582 HydrophobicContact CG2-CD1 3.86Å; I511-I582 HydrophobicContact CG2-CG2 4.39Å; L515-I582 HydrophobicContact CD2-CD1 4.2Å; L575-I582 HydrophobicContact CB-CB 4.47Å; L575-I582 HydrophobicContact CD2-CB 4.33Å; L575-I582 HydrophobicContact CD2-CG2 4.23Å; L575-I582 PolarHBondContact O-N 3.19Å; I578-I582 HydrophobicContact CD1-CD1 3.75Å; I578-I582 HydrophobicContact CD1-CG1 4.49Å; I582-K612 CarbonylContact C-O 3.49Å; I582-K612 VanDerWaalsContact CA-O 3.31Å; I582-K612 WeakPolarHBondContact CA-O 3.36Å; I582-I613 HydrophobicContact CG1-CG1 4.44Å
583	I	95.9	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.6	166.6	-47.3	171.9	0	0	0	107.7	S611 K612 M614 M624 V655 D656	I583-S611 CarbonylContact O-C 3.27Å; I583-S611 WeakPolarHBondContact O-CA 3.36Å; I583-S611 VanDerWaalsContact O-CB 3.23Å; I583-S611 WeakPolarHBondContact O-CB 3.37Å; I583-K612 HydrophobicContact CB-CB 4.2Å; I583-K612 HydrophobicContact CD1-CB 4.3Å; I583-K612 HydrophobicContact CG1-CB 4.49Å; I583-K612 PolarHBondContact N-O 3.36Å; I583-K612 PolarHBondContact O-N 3.01Å; I583-M614 HydrophobicContact CD1-CG 3.95Å; I583-M614 HydrophobicContact CD1-SD 3.65Å; I583-M614 HydrophobicContact CG1-CE 3.99Å; I583-M614 HydrophobicContact CG1-CG 3.9Å; I583-M614 HydrophobicContact CG1-SD 3.51Å; I583-M614 VanDerWaalsContact CG1-SD 3.51Å; I583-M624 HydrophobicContact CD1-CG 4.35Å; I583-M624 HydrophobicContact CD1-SD 3.85Å; I583-V655 HydrophobicContact CG2-CB 4.37Å; I583-D656 WeakPolarHBondContact CA-OD2 3.5Å; I583-D656 WeakPolarHBondContact CG2-OD2 3.47Å
584	H	96.8	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-68.8	-42.1	178.7	-168.7	-76.5	0	0	0	112	L572 D586 L587 T606 D607 F608 S611 D656	L572-H584 HydrophobicContact CD2-CB 4.45Å; H584-D586 PolarHBondContact O-N 3.37Å; H584-L587 HydrophobicContact CB-CG 4.14Å; H584-L587 PolarHBondContact ND1-N 2.86Å; H584-T606 PolarHBondContact CE1-O 3.19Å; H584-T606 PolarHBondContact NE2-O 2.9Å; H584-T606 VanDerWaalsContact NE2-O 3.14Å; H584-D607 PolarHBondContact CE1-O 2.78Å; H584-F608 AromaticContact CD2-CD1 3.91Å; H584-F608 AromaticContact CD2-CE1 3.6Å; H584-S611 WeakPolarHBondContact O-CA 3.36Å; H584-S611 PolarHBondContact O-OG 3.47Å; H584-D656 PolarHBondContact N-OD1 3.26Å; H584-D656 PolarHBondContact N-OD2 3.19Å
585	Y	96.3	Very high	96.2	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	15%	0.152	C	C	.	.			trans	68.1	-22.8	172.7	-164.2	-93.1	0	0	0	117.2	L610 K612 L626 L637 I651 V655 D656	Y585-L610 HydrophobicContact CD1-CB 4.21Å; Y585-K612 HydrophobicContact CG-CG 4.46Å; Y585-L626 HydrophobicContact CE1-CD1 4.34Å; Y585-L626 HydrophobicContact CE2-CD1 3.82Å; Y585-L626 VanDerWaalsContact OH-CD1 3.32Å; Y585-L626 WeakPolarHBondContact OH-CD1 3.4Å; Y585-L626 WeakPolarHBondContact OH-CD2 3.23Å; Y585-L637 HydrophobicContact CE1-CD2 4.22Å; Y585-L637 HydrophobicContact CE2-CD2 4.35Å; Y585-I651 HydrophobicContact CD2-CD1 3.92Å; Y585-I651 HydrophobicContact CE2-CD1 3.74Å; Y585-V655 HydrophobicContact CD2-CG1 3.86Å; Y585-V655 HydrophobicContact CE2-CG1 4.09Å; Y585-D656 PolarHBondContact N-OD1 3.31Å
586	D	95.9	Very high	95.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.179	C	C	.	.			trans	-122.9	42.8	171.6	-157.6	25.3	0	0	0	112.8	R66 H584 K588 N591 L610 T633	R66-D586 IonicContact NH2-OD2 3.2Å; H584-D586 PolarHBondContact O-N 3.37Å; D586-K588 PolarHBondContact O-N 3.33Å; D586-K588 IonicContact OD1-NZ 3.67Å; D586-K588 IonicContact OD2-NZ 3.39Å; D586-K588 PolarHBondContact OD2-NZ 3.15Å; D586-N591 PolarHBondContact O-ND2 3.06Å; D586-L610 HydrophobicContact CB-CB 4.25Å; D586-L610 HydrophobicContact CB-CD1 3.97Å; D586-T633 VanDerWaalsContact OD1-CB 3.27Å; D586-T633 WeakPolarHBondContact OD1-CB 3.39Å; D586-T633 PolarHBondContact OD1-N 2.77Å; D586-T633 PolarHBondContact OD1-OG1 3.21Å
587	L	98.2	Very high	95.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.191	C	C	.	.			trans	-67.7	121.8	172.9	-99.2	-173.4	0	0	0	110.8	I568 L572 H584 I605 Y636 D656 V660 I663	I568-L587 HydrophobicContact CG2-CD1 3.93Å; I568-L587 HydrophobicContact CG2-CD2 4.49Å; L572-L587 HydrophobicContact CD1-CD1 3.83Å; L572-L587 HydrophobicContact CD2-CD1 3.77Å; L572-L587 HydrophobicContact CG-CD1 4.07Å; H584-L587 HydrophobicContact CB-CG 4.14Å; H584-L587 PolarHBondContact ND1-N 2.86Å; L587-I605 HydrophobicContact CD2-CG2 4.09Å; L587-Y636 WeakPolarHBondContact O-CB 3.48Å; L587-D656 HydrophobicContact CD1-CB 4.31Å; L587-V660 HydrophobicContact CD1-CG2 4.26Å; L587-I663 HydrophobicContact CB-CD1 4.29Å
588	K	97.8	Very high	95.1	Very high	30 Å²	30	32.6 Å²	32.6	13%	0.13	19%	0.186	C	C	.	.			trans	-158.9	164.2	179.3	68.6	-154.6	-179.4	-152.6	0	110	D586 G590 N591 T633 Y636	D586-K588 PolarHBondContact O-N 3.33Å; D586-K588 IonicContact OD1-NZ 3.67Å; D586-K588 IonicContact OD2-NZ 3.39Å; D586-K588 PolarHBondContact OD2-NZ 3.15Å; K588-G590 VanDerWaalsContact C-N 3.25Å; K588-G590 PolarHBondContact O-N 3.06Å; K588-N591 VanDerWaalsContact CE-CG 3.44Å; K588-N591 WeakPolarHBondContact CE-ND2 3.37Å; K588-N591 WeakPolarHBondContact CE-OD1 3.23Å; K588-N591 HydrophobicContact CG-CB 4.15Å; K588-N591 PolarHBondContact NZ-ND2 2.81Å; K588-N591 PolarHBondContact O-N 3.19Å; K588-T633 HydrophobicContact CD-CG2 4.13Å; K588-T633 VanDerWaalsContact CD-OG1 3.3Å; K588-T633 WeakPolarHBondContact CD-OG1 3.12Å; K588-T633 PolarHBondContact NZ-OG1 3.43Å; K588-Y636 HydrophobicContact CB-CD1 4.32Å; K588-Y636 HydrophobicContact CB-CD2 3.67Å; K588-Y636 HydrophobicContact CB-CE1 4.33Å; K588-Y636 HydrophobicContact CB-CE2 3.66Å; K588-Y636 HydrophobicContact CB-CG 4.02Å
589	P	97.9	Very high	94.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.8	-33.3	-179.4	-28.1	38.1	0	0	0	114.5	L546 D547 L550 N591 I592 Y636 I663	L546-P589 HydrophobicContact CB-CB 3.98Å; L546-P589 WeakPolarHBondContact CB-O 3.19Å; L546-P589 HydrophobicContact CD2-CB 4.13Å; L546-P589 HydrophobicContact CG-CB 3.92Å; L546-P589 PolarHBondContact N-O 2.98Å; L546-P589 VanDerWaalsContact N-O 3.08Å; D547-P589 HydrophobicContact CB-CB 3.93Å; D547-P589 PolarHBondContact N-O 3.06Å; L550-P589 HydrophobicContact CD1-CB 4.31Å; L550-P589 HydrophobicContact CD1-CG 4.33Å; P589-N591 PolarHBondContact O-N 2.89Å; P589-I592 PolarHBondContact O-N 3.16Å; P589-Y636 VanDerWaalsContact CD-CE1 3.43Å; P589-Y636 VanDerWaalsContact CD-CZ 3.45Å; P589-Y636 WeakPolarHBondContact CD-OH 3.21Å; P589-Y636 HydrophobicContact CG-CE1 4.19Å; P589-I663 HydrophobicContact CG-CG1 4.32Å
590	G	95.6	Very high	94.6	Very high	29 Å²	29	26 Å²	26	30%	0.299	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-67	-15.5	174.6	0	0	0	0	0	115.1	K588	K588-G590 VanDerWaalsContact C-N 3.25Å; K588-G590 PolarHBondContact O-N 3.06Å
591	N	97	Very high	94.7	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.064	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-107.2	15.3	179.2	-70.2	8.8	0	0	0	111.7	D586 K588 P589 I605 T606 D607	D586-N591 PolarHBondContact O-ND2 3.06Å; K588-N591 VanDerWaalsContact CE-CG 3.44Å; K588-N591 WeakPolarHBondContact CE-ND2 3.37Å; K588-N591 WeakPolarHBondContact CE-OD1 3.23Å; K588-N591 HydrophobicContact CG-CB 4.15Å; K588-N591 PolarHBondContact NZ-ND2 2.81Å; K588-N591 PolarHBondContact O-N 3.19Å; P589-N591 PolarHBondContact O-N 2.89Å; N591-I605 WeakPolarHBondContact O-CA 3.48Å; N591-T606 WeakPolarHBondContact CB-O 3.38Å; N591-T606 PolarHBondContact O-N 2.96Å; N591-T606 VanDerWaalsContact O-N 3.12Å; N591-D607 WeakPolarHBondContact ND2-CB 3.26Å; N591-D607 PolarHBondContact ND2-OD2 2.79Å
592	I	98.5	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	105.8	175.4	-65.1	155.8	0	0	0	107.6	D545 L546 I564 I568 P589 I603 I605 I663	D545-I592 CarbonylContact C-O 3.58Å; D545-I592 VanDerWaalsContact CA-O 3.27Å; D545-I592 WeakPolarHBondContact CA-O 3.45Å; L546-I592 HydrophobicContact CB-CB 4.12Å; L546-I592 HydrophobicContact CB-CG2 4.19Å; L546-I592 HydrophobicContact CD2-CB 4.42Å; L546-I592 HydrophobicContact CD2-CD1 4.06Å; L546-I592 HydrophobicContact CD2-CG2 4.27Å; L546-I592 PolarHBondContact N-O 3.34Å; I564-I592 HydrophobicContact CG2-CG2 4.46Å; I568-I592 HydrophobicContact CD1-CD1 3.52Å; I568-I592 HydrophobicContact CD1-CG1 4.24Å; I568-I592 HydrophobicContact CG1-CD1 4.22Å; I568-I592 HydrophobicContact CG1-CG1 4.44Å; P589-I592 PolarHBondContact O-N 3.16Å; I592-I603 HydrophobicContact CG2-CB 4.06Å; I592-I603 HydrophobicContact CG2-CD1 4.25Å; I592-I603 HydrophobicContact CG2-CG1 4.41Å; I592-I603 HydrophobicContact CG2-CG2 4.44Å; I592-I605 HydrophobicContact CG1-CG2 4.39Å; I592-I663 HydrophobicContact CD1-CD1 3.91Å; I592-I663 HydrophobicContact CD1-CG2 4.11Å
593	L	97.8	Very high	95	Very high	36 Å²	36	25.7 Å²	25.7	19%	0.188	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.1	179.2	-68.1	159.5	0	0	0	109.9	V521 C541 D545 I603 K604 T606	V521-L593 HydrophobicContact CG2-CD1 3.59Å; C541-L593 HydrophobicContact CB-CB 4.15Å; C541-L593 HydrophobicContact CB-CD1 4.22Å; D545-L593 HydrophobicContact CB-CD2 4.43Å; L593-I603 CarbonylContact O-C 3.59Å; L593-I603 WeakPolarHBondContact O-CA 3.4Å; L593-K604 PolarHBondContact N-O 2.98Å; L593-K604 PolarHBondContact O-N 3.08Å; L593-T606 HydrophobicContact CD1-CG2 3.91Å; L593-T606 HydrophobicContact CG-CG2 4.31Å
594	L	97.4	Very high	95.1	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	106.3	168.5	-54.3	-177.7	0	0	0	107.2	G543 N544 Y549 I564 D596 G597 I603	G543-L594 CarbonylContact C-O 3.58Å; G543-L594 WeakPolarHBondContact CA-O 3.37Å; N544-L594 WeakPolarHBondContact O-CB 3.43Å; N544-L594 PolarHBondContact O-N 2.89Å; Y549-L594 HydrophobicContact CD2-CD1 3.55Å; Y549-L594 HydrophobicContact CE2-CD1 4.33Å; Y549-L594 HydrophobicContact CG-CD1 3.71Å; I564-L594 HydrophobicContact CD1-CD2 4.1Å; L594-D596 VanDerWaalsContact C-N 3.33Å; L594-D596 PolarHBondContact O-N 2.86Å; L594-G597 PolarHBondContact O-N 3.09Å; L594-I603 HydrophobicContact CD2-CG2 3.54Å
595	V	94.9	Very high	95.2	Very high	24 Å²	24	26.2 Å²	26.2	15%	0.145	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-47.1	-165.9	179.9	0	0	0	0	111.8	E542 G543 E602 K604	E542-V595 PolarHBondContact N-O 3.34Å; G543-V595 PolarHBondContact N-O 3.14Å; V595-E602 HydrophobicContact CB-CB 4.2Å; V595-E602 HydrophobicContact CG2-CB 4.02Å; V595-E602 WeakPolarHBondContact CG2-O 3.43Å; V595-E602 PolarHBondContact N-O 3Å; V595-K604 HydrophobicContact CG2-CB 4.47Å; V595-K604 HydrophobicContact CG2-CD 3.83Å; V595-K604 HydrophobicContact CG2-CG 3.92Å
596	D	89.1	Confident	95.2	Very high	105 Å²	105	27.2 Å²	27.2	56%	0.561	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	14	179	-44.5	-55.5	0	0	0	112.6	L594 T598	L594-D596 VanDerWaalsContact C-N 3.33Å; L594-D596 PolarHBondContact O-N 2.86Å; D596-T598 VanDerWaalsContact C-N 3.29Å; D596-T598 PolarHBondContact O-N 2.86Å
597	G	88.4	Confident	94.9	Very high	32 Å²	32	28.9 Å²	28.9	33%	0.33	18%	0.179	S	C	.	.	S	Bend	trans	72.4	10.1	178.9	0	0	0	0	0	116.2	L594	L594-G597 PolarHBondContact O-N 3.09Å
598	T	89.4	Confident	94.7	Very high	61 Å²	61	28.9 Å²	28.9	37%	0.374	18%	0.179	S	C	.	.			trans	-114.9	143.8	-180	67.7	0	0	0	0	112.2	D596 C600 G601	D596-T598 VanDerWaalsContact C-N 3.29Å; D596-T598 PolarHBondContact O-N 2.86Å; T598-C600 PolarHBondContact O-N 2.96Å; T598-G601 PolarHBondContact O-N 3.28Å; T598-G601 PolarHBondContact OG1-N 3.43Å
599	A	87.7	Confident	94.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.5	178.2	0	0	0	0	0	114.3	Y549 M556 E560 I564	Y549-A599 HydrophobicContact CE1-CB 3.8Å; Y549-A599 HydrophobicContact CE2-CB 4.12Å; M556-A599 HydrophobicContact CE-CB 4.14Å; M556-A599 HydrophobicContact SD-CB 4.22Å; E560-A599 HydrophobicContact CB-CB 4.14Å; E560-A599 HydrophobicContact CG-CB 4.33Å; I564-A599 HydrophobicContact CD1-CB 4.16Å
600	C	90.1	Very high	93.7	Very high	96 Å²	96	29.4 Å²	29.4	65%	0.649	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-7.3	173.3	59.5	0	0	0	0	113.7	T598	T598-C600 PolarHBondContact O-N 2.96Å
601	G	94	Very high	93.6	Very high	18 Å²	18	28.1 Å²	28.1	19%	0.186	17%	0.174	C	C	.	.	S	Bend	trans	-88.7	-160.8	-180	0	0	0	0	0	113.9	Q567 T598	Q567-G601 PolarHBondContact NE2-O 3.43Å; T598-G601 PolarHBondContact O-N 3.28Å; T598-G601 PolarHBondContact OG1-N 3.43Å
602	E	97.7	Very high	93.3	Very high	87 Å²	87	28 Å²	28	41%	0.407	17%	0.173	S	C	.	.			trans	-77.3	146	177.9	-58.1	-151.3	149.3	0	0	112.3	R519 V595	R519-E602 IonicContact CZ-OE1 3.47Å; R519-E602 IonicContact CZ-OE2 3.89Å; R519-E602 VanDerWaalsContact NH1-CD 3.26Å; R519-E602 IonicContact NH1-OE1 3.69Å; R519-E602 IonicContact NH1-OE2 3.5Å; R519-E602 PolarHBondContact NH1-OE2 3.48Å; R519-E602 IonicContact NH2-OE1 2.82Å; R519-E602 PolarHBondContact NH2-OE1 3.45Å; R519-E602 IonicContact NH2-OE2 2.64Å; R519-E602 PolarHBondContact NH2-OE2 3.18Å; V595-E602 HydrophobicContact CB-CB 4.2Å; V595-E602 HydrophobicContact CG2-CB 4.02Å; V595-E602 WeakPolarHBondContact CG2-O 3.43Å; V595-E602 PolarHBondContact N-O 3Å
603	I	98.4	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.1	169.4	71.7	84.5	0	0	0	111.7	R519 I564 Q567 I568 I592 L593 L594 I605	R519-I603 WeakPolarHBondContact CD-O 3.41Å; I564-I603 HydrophobicContact CG1-CG2 4.13Å; I564-I603 HydrophobicContact CG2-CG2 4.46Å; Q567-I603 HydrophobicContact CB-CD1 3.75Å; Q567-I603 HydrophobicContact CB-CG1 3.42Å; Q567-I603 VanDerWaalsContact CB-CG1 3.42Å; Q567-I603 HydrophobicContact CG-CG1 4.26Å; I568-I603 HydrophobicContact CG1-CD1 3.88Å; I592-I603 HydrophobicContact CG2-CB 4.06Å; I592-I603 HydrophobicContact CG2-CD1 4.25Å; I592-I603 HydrophobicContact CG2-CG1 4.41Å; I592-I603 HydrophobicContact CG2-CG2 4.44Å; L593-I603 CarbonylContact O-C 3.59Å; L593-I603 WeakPolarHBondContact O-CA 3.4Å; L594-I603 HydrophobicContact CD2-CG2 3.54Å; I603-I605 HydrophobicContact CD1-CG2 4.45Å
604	K	98.7	Very high	92.5	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.4	170.5	-74.1	169.7	175.3	-83.9	0	111	P518 R519 I520 V521 E539 L593 V595	P518-K604 WeakPolarHBondContact O-CE 3.28Å; P518-K604 WeakPolarHBondContact O-CG 3.4Å; P518-K604 PolarHBondContact O-NZ 3.44Å; R519-K604 CarbonylContact O-C 3.45Å; R519-K604 WeakPolarHBondContact O-CA 3.47Å; I520-K604 PolarHBondContact O-NZ 3.46Å; V521-K604 HydrophobicContact CG2-CB 3.82Å; V521-K604 HydrophobicContact CG2-CD 4.43Å; E539-K604 VanDerWaalsContact CD-CE 3.47Å; E539-K604 WeakPolarHBondContact OE1-CE 3.46Å; E539-K604 IonicContact OE1-NZ 3.59Å; E539-K604 PolarHBondContact OE1-NZ 2.84Å; E539-K604 WeakPolarHBondContact OE2-CE 3.36Å; E539-K604 IonicContact OE2-NZ 2.71Å; E539-K604 PolarHBondContact OE2-NZ 3.32Å; L593-K604 PolarHBondContact N-O 2.98Å; L593-K604 PolarHBondContact O-N 3.08Å; V595-K604 HydrophobicContact CG2-CB 4.47Å; V595-K604 HydrophobicContact CG2-CD 3.83Å; V595-K604 HydrophobicContact CG2-CG 3.92Å
605	I	98.4	Very high	92	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	150.8	170.4	67.8	170.4	0	0	0	111	R519 I520 V521 A571 L575 L587 N591 I592 I603 F608	R519-I605 PolarHBondContact O-N 2.96Å; I520-I605 HydrophobicContact CB-CG1 4.39Å; I520-I605 HydrophobicContact CD1-CD1 4.4Å; I520-I605 HydrophobicContact CG1-CD1 4.08Å; I520-I605 HydrophobicContact CG1-CG1 3.8Å; V521-I605 PolarHBondContact N-O 2.87Å; A571-I605 HydrophobicContact CB-CD1 3.67Å; A571-I605 HydrophobicContact CB-CG1 4.04Å; A571-I605 HydrophobicContact CB-CG2 4.49Å; L575-I605 HydrophobicContact CD1-CD1 3.94Å; L587-I605 HydrophobicContact CD2-CG2 4.09Å; N591-I605 WeakPolarHBondContact O-CA 3.48Å; I592-I605 HydrophobicContact CG1-CG2 4.39Å; I603-I605 HydrophobicContact CD1-CG2 4.45Å; I605-F608 HydrophobicContact CD1-CZ 4.15Å; I605-F608 HydrophobicContact CG1-CZ 4.3Å
606	T	95.6	Very high	91.3	Very high	22 Å²	22	38.7 Å²	38.7	14%	0.135	23%	0.229	C	C	.	.			trans	-151.7	175.5	-176.4	-165.1	0	0	0	0	111.6	H584 N591 L593	H584-T606 PolarHBondContact CE1-O 3.19Å; H584-T606 PolarHBondContact NE2-O 2.9Å; H584-T606 VanDerWaalsContact NE2-O 3.14Å; N591-T606 WeakPolarHBondContact CB-O 3.38Å; N591-T606 PolarHBondContact O-N 2.96Å; N591-T606 VanDerWaalsContact O-N 3.12Å; L593-T606 HydrophobicContact CD1-CG2 3.91Å; L593-T606 HydrophobicContact CG-CG2 4.31Å
607	D	90.9	Very high	90.8	Very high	39 Å²	39	41.6 Å²	41.6	21%	0.209	24%	0.244	C	C	.	.			trans	67.8	69.1	176.9	-170.7	36.9	0	0	0	114.3	K485 H584 N591 G609	K485-D607 IonicContact NZ-OD1 3.68Å; H584-D607 PolarHBondContact CE1-O 2.78Å; N591-D607 WeakPolarHBondContact ND2-CB 3.26Å; N591-D607 PolarHBondContact ND2-OD2 2.79Å; D607-G609 PolarHBondContact O-N 3.31Å
608	F	92.3	Very high	90.1	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-78.8	12.7	176.8	-66.9	-91.7	0	0	0	114	I511 H512 L515 I520 L575 H584 I605 L610 S611	I511-F608 HydrophobicContact CG2-CB 4.28Å; I511-F608 HydrophobicContact CG2-CD1 4.26Å; H512-F608 HydrophobicContact CB-CB 4.32Å; H512-F608 HydrophobicContact CB-CD2 4.14Å; H512-F608 HydrophobicContact CB-CG 4.37Å; H512-F608 AromaticContact CD2-CD2 3.65Å; H512-F608 AromaticContact CD2-CE2 3.72Å; H512-F608 AromaticContact CE1-CD2 3.73Å; H512-F608 AromaticContact CG-CD2 3.58Å; H512-F608 AromaticContact ND1-CD2 3.64Å; H512-F608 AromaticContact NE2-CD2 3.74Å; H512-F608 AromaticContact NE2-CE2 3.63Å; L515-F608 HydrophobicContact CD1-CD1 3.92Å; L515-F608 HydrophobicContact CD1-CD2 4.28Å; L515-F608 HydrophobicContact CD1-CE1 3.47Å; L515-F608 VanDerWaalsContact CD1-CE1 3.47Å; L515-F608 HydrophobicContact CD1-CE2 3.88Å; L515-F608 HydrophobicContact CD1-CG 4.32Å; L515-F608 HydrophobicContact CD1-CZ 3.46Å; L515-F608 VanDerWaalsContact CD1-CZ 3.46Å; I520-F608 HydrophobicContact CD1-CZ 4.34Å; I520-F608 HydrophobicContact CG2-CE2 3.71Å; I520-F608 HydrophobicContact CG2-CZ 3.68Å; L575-F608 HydrophobicContact CD1-CE1 3.93Å; L575-F608 HydrophobicContact CD2-CE1 3.93Å; H584-F608 AromaticContact CD2-CD1 3.91Å; H584-F608 AromaticContact CD2-CE1 3.6Å; I605-F608 HydrophobicContact CD1-CZ 4.15Å; I605-F608 HydrophobicContact CG1-CZ 4.3Å; F608-L610 PolarHBondContact O-N 3.43Å; F608-L610 VanDerWaalsContact O-N 3.12Å; F608-S611 VanDerWaalsContact CA-OG 3.28Å; F608-S611 WeakPolarHBondContact CA-OG 3.45Å; F608-S611 WeakPolarHBondContact CD1-OG 3.25Å; F608-S611 WeakPolarHBondContact O-CB 3.48Å; F608-S611 PolarHBondContact O-N 2.97Å; F608-S611 PolarHBondContact O-OG 2.83Å
609	G	87.4	Confident	89.5	Confident	21 Å²	21	43.7 Å²	43.7	22%	0.216	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64	-19.1	-172.4	0	0	0	0	0	115.4	D607	D607-G609 PolarHBondContact O-N 3.31Å
610	L	88.8	Confident	89	Confident	20 Å²	20	45.6 Å²	45.6	11%	0.105	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-111	2.9	175.6	-63.8	-179.3	0	0	0	113.6	Y585 D586 F608 K612 A631	Y585-L610 HydrophobicContact CD1-CB 4.21Å; D586-L610 HydrophobicContact CB-CB 4.25Å; D586-L610 HydrophobicContact CB-CD1 3.97Å; F608-L610 PolarHBondContact O-N 3.43Å; F608-L610 VanDerWaalsContact O-N 3.12Å; L610-K612 WeakPolarHBondContact O-CE 3.4Å; L610-A631 HydrophobicContact CD1-CB 4.44Å; L610-A631 HydrophobicContact CD2-CB 4.16Å
611	S	93	Very high	88.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.014	28%	0.277	C	S	.	.			trans	-66.9	147.6	-172.7	-58.8	0	0	0	0	113.3	R507 I583 H584 F608	R507-S611 PolarHBondContact NE-O 3.23Å; R507-S611 PolarHBondContact NH2-O 2.93Å; I583-S611 CarbonylContact O-C 3.27Å; I583-S611 WeakPolarHBondContact O-CA 3.36Å; I583-S611 VanDerWaalsContact O-CB 3.23Å; I583-S611 WeakPolarHBondContact O-CB 3.37Å; H584-S611 WeakPolarHBondContact O-CA 3.36Å; H584-S611 PolarHBondContact O-OG 3.47Å; F608-S611 VanDerWaalsContact CA-OG 3.28Å; F608-S611 WeakPolarHBondContact CA-OG 3.45Å; F608-S611 WeakPolarHBondContact CD1-OG 3.25Å; F608-S611 WeakPolarHBondContact O-CB 3.48Å; F608-S611 PolarHBondContact O-N 2.97Å; F608-S611 PolarHBondContact O-OG 2.83Å
612	K	91.3	Very high	87.6	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.5	-176.2	-52	-60.1	-178.9	175.5	0	109.8	I582 I583 Y585 L610 M624 T627 S628	I582-K612 CarbonylContact C-O 3.49Å; I582-K612 VanDerWaalsContact CA-O 3.31Å; I582-K612 WeakPolarHBondContact CA-O 3.36Å; I583-K612 HydrophobicContact CB-CB 4.2Å; I583-K612 HydrophobicContact CD1-CB 4.3Å; I583-K612 HydrophobicContact CG1-CB 4.49Å; I583-K612 PolarHBondContact N-O 3.36Å; I583-K612 PolarHBondContact O-N 3.01Å; Y585-K612 HydrophobicContact CG-CG 4.46Å; L610-K612 WeakPolarHBondContact O-CE 3.4Å; K612-M624 HydrophobicContact CB-CE 3.76Å; K612-M624 HydrophobicContact CB-SD 3.69Å; K612-M624 HydrophobicContact CD-CE 4.18Å; K612-M624 HydrophobicContact CG-CE 3.86Å; K612-M624 HydrophobicContact CG-SD 4.39Å; K612-T627 PolarHBondContact NZ-OG1 3.1Å; K612-S628 PolarHBondContact NZ-OG 3.46Å
613	I	90.6	Very high	87	Confident	48 Å²	48	49.1 Å²	49.1	25%	0.246	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.6	173.6	-60.4	172.6	0	0	0	105.5	I511 P580 I582 D615	I511-I613 HydrophobicContact CD1-CD1 4.04Å; I511-I613 HydrophobicContact CD1-CG1 3.82Å; I511-I613 HydrophobicContact CG1-CD1 3.79Å; I511-I613 HydrophobicContact CG1-CG1 3.91Å; P580-I613 HydrophobicContact CB-CG2 3.63Å; P580-I613 HydrophobicContact CG-CG2 3.33Å; I582-I613 HydrophobicContact CG1-CG1 4.44Å; I613-D615 HydrophobicContact CG2-CB 4.31Å
614	M	88.6	Confident	86.7	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.059	28%	0.282	C	S	.	.			trans	-101.3	78.8	173.4	-61.2	-178.1	-62.3	0	0	107.3	P581 I583 Y619 M624 N653	P581-M614 HydrophobicContact CB-CE 3.76Å; P581-M614 WeakPolarHBondContact CD-O 3.44Å; P581-M614 HydrophobicContact CG-CB 4.22Å; P581-M614 HydrophobicContact CG-CE 3.98Å; P581-M614 PolarHBondContact O-N 3.34Å; I583-M614 HydrophobicContact CD1-CG 3.95Å; I583-M614 HydrophobicContact CD1-SD 3.65Å; I583-M614 HydrophobicContact CG1-CE 3.99Å; I583-M614 HydrophobicContact CG1-CG 3.9Å; I583-M614 HydrophobicContact CG1-SD 3.51Å; I583-M614 VanDerWaalsContact CG1-SD 3.51Å; M614-Y619 HydrophobicContact CB-CD2 3.74Å; M614-Y619 HydrophobicContact CB-CE2 4.44Å; M614-Y619 HydrophobicContact CB-CG 4.09Å; M614-Y619 HydrophobicContact CG-CD2 3.64Å; M614-Y619 HydrophobicContact CG-CE2 4.03Å; M614-Y619 HydrophobicContact CG-CG 4.48Å; M614-Y619 HydrophobicContact SD-CD2 3.68Å; M614-Y619 HydrophobicContact SD-CE2 3.4Å; M614-Y619 WeakPolarHBondContact SD-CE2 3.49Å; M614-M624 HydrophobicContact CG-CG 4.35Å; M614-M624 HydrophobicContact CG-SD 3.98Å; M614-N653 HydrophobicContact CE-CB 4.4Å
615	D	86.2	Confident	86.3	Confident	62 Å²	62	51.7 Å²	51.7	33%	0.332	29%	0.294	S	S	.	.			trans	-85	163.1	171.1	52.2	35.1	0	0	0	111	P580 I613 D617 S618 Y619	P580-D615 HydrophobicContact CB-CB 4.2Å; I613-D615 HydrophobicContact CG2-CB 4.31Å; D615-D617 PolarHBondContact O-N 2.94Å; D615-S618 PolarHBondContact O-N 3.41Å; D615-S618 PolarHBondContact O-OG 2.97Å; D615-S618 WeakPolarHBondContact OD1-CB 3.46Å; D615-S618 PolarHBondContact OD1-N 2.78Å; D615-S618 PolarHBondContact OD1-OG 3.4Å; D615-Y619 WeakPolarHBondContact O-CB 3.48Å; D615-Y619 PolarHBondContact O-N 3.4Å
616	D	80.4	Confident	85.8	Confident	165 Å²	165	51.9 Å²	51.9	88%	0.882	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.8	-174.9	-60.6	-31.5	0	0	0	112.6
617	D	78.4	Confident	85.2	Confident	166 Å²	166	54 Å²	54	89%	0.888	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-33.9	177.6	-69.9	-33.2	0	0	0	112.8	D615	D615-D617 PolarHBondContact O-N 2.94Å
618	S	74	Confident	84.8	Confident	47 Å²	47	52.7 Å²	52.7	33%	0.329	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.3	-177.3	64.7	0	0	0	0	114.6	D615 M624	D615-S618 PolarHBondContact O-N 3.41Å; D615-S618 PolarHBondContact O-OG 2.97Å; D615-S618 WeakPolarHBondContact OD1-CB 3.46Å; D615-S618 PolarHBondContact OD1-N 2.78Å; D615-S618 PolarHBondContact OD1-OG 3.4Å; S618-M624 VanDerWaalsContact O-CA 3.27Å; S618-M624 WeakPolarHBondContact O-CA 3.32Å; S618-M624 VanDerWaalsContact O-CB 3.24Å; S618-M624 WeakPolarHBondContact O-CB 3.47Å
619	Y	77.2	Confident	84.5	Confident	89 Å²	89	56 Å²	56	35%	0.349	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	96.8	-173.9	-163.5	-90.2	0	0	0	112.7	M614 D615 M624 S652	M614-Y619 HydrophobicContact CB-CD2 3.74Å; M614-Y619 HydrophobicContact CB-CE2 4.44Å; M614-Y619 HydrophobicContact CB-CG 4.09Å; M614-Y619 HydrophobicContact CG-CD2 3.64Å; M614-Y619 HydrophobicContact CG-CE2 4.03Å; M614-Y619 HydrophobicContact CG-CG 4.48Å; M614-Y619 HydrophobicContact SD-CD2 3.68Å; M614-Y619 HydrophobicContact SD-CE2 3.4Å; M614-Y619 WeakPolarHBondContact SD-CE2 3.49Å; D615-Y619 WeakPolarHBondContact O-CB 3.48Å; D615-Y619 PolarHBondContact O-N 3.4Å; Y619-M624 HydrophobicContact CD2-CB 3.96Å; Y619-M624 HydrophobicContact CD2-CG 3.95Å; Y619-M624 HydrophobicContact CE2-CG 4.42Å; Y619-S652 VanDerWaalsContact OH-CB 3.26Å; Y619-S652 WeakPolarHBondContact OH-CB 3.14Å
620	G	78	Confident	84.4	Confident	42 Å²	42	56.4 Å²	56.4	43%	0.433	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-176.6	175.2	0	0	0	0	0	113.9	D622 G623	G620-D622 PolarHBondContact O-N 3.42Å; G620-G623 PolarHBondContact N-O 2.95Å; G620-G623 VanDerWaalsContact N-O 3.09Å; G620-G623 PolarHBondContact O-N 3.19Å
621	V	75.6	Confident	84.4	Confident	153 Å²	153	55.5 Å²	55.5	93%	0.927	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.3	177.8	-178	0	0	0	0	112.5
622	D	77.4	Confident	84.3	Confident	121 Å²	121	55.4 Å²	55.4	65%	0.647	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.2	179.5	-61.6	-51.5	0	0	0	114.1	G620 K650	G620-D622 PolarHBondContact O-N 3.42Å; D622-K650 HydrophobicContact CB-CG 4.34Å; D622-K650 WeakPolarHBondContact O-CB 3.25Å
623	G	86.5	Confident	84.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.3	-165.8	-172	0	0	0	0	0	114	G620 I651	G620-G623 PolarHBondContact N-O 2.95Å; G620-G623 VanDerWaalsContact N-O 3.09Å; G620-G623 PolarHBondContact O-N 3.19Å; G623-I651 WeakPolarHBondContact CA-O 3.29Å
624	M	91.6	Very high	84.8	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.039	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	156.3	-178.4	54.9	153.2	-79.3	0	0	112.7	I583 K612 M614 S618 Y619 K650 I651	I583-M624 HydrophobicContact CD1-CG 4.35Å; I583-M624 HydrophobicContact CD1-SD 3.85Å; K612-M624 HydrophobicContact CB-CE 3.76Å; K612-M624 HydrophobicContact CB-SD 3.69Å; K612-M624 HydrophobicContact CD-CE 4.18Å; K612-M624 HydrophobicContact CG-CE 3.86Å; K612-M624 HydrophobicContact CG-SD 4.39Å; M614-M624 HydrophobicContact CG-CG 4.35Å; M614-M624 HydrophobicContact CG-SD 3.98Å; S618-M624 VanDerWaalsContact O-CA 3.27Å; S618-M624 WeakPolarHBondContact O-CA 3.32Å; S618-M624 VanDerWaalsContact O-CB 3.24Å; S618-M624 WeakPolarHBondContact O-CB 3.47Å; Y619-M624 HydrophobicContact CD2-CB 3.96Å; Y619-M624 HydrophobicContact CD2-CG 3.95Å; Y619-M624 HydrophobicContact CE2-CG 4.42Å; M624-K650 CarbonylContact O-C 3.57Å; M624-K650 WeakPolarHBondContact O-CA 2.97Å; M624-I651 HydrophobicContact CE-CD1 3.99Å; M624-I651 HydrophobicContact CE-CG1 4.02Å; M624-I651 HydrophobicContact CG-CG1 4.13Å; M624-I651 WeakPolarHBondContact CG-O 3.33Å; M624-I651 PolarHBondContact N-O 2.87Å; M624-I651 PolarHBondContact O-N 3.2Å
625	D	90.1	Very high	85.3	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134	178.8	-70.6	-51.9	0	0	0	113.5	T627 P648 K650	D625-T627 VanDerWaalsContact C-N 3.3Å; D625-T627 PolarHBondContact O-N 2.99Å; D625-P648 HydrophobicContact CB-CG 3.94Å; D625-P648 WeakPolarHBondContact OD1-CG 3.4Å; D625-K650 VanDerWaalsContact OD1-CD 3.26Å; D625-K650 WeakPolarHBondContact OD1-CD 3.3Å; D625-K650 WeakPolarHBondContact OD1-CE 3.37Å; D625-K650 IonicContact OD1-NZ 3.49Å; D625-K650 PolarHBondContact OD1-NZ 2.81Å; D625-K650 IonicContact OD2-NZ 3.66Å; D625-K650 PolarHBondContact OD2-NZ 3.47Å
626	L	88.8	Confident	85.9	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.021	30%	0.304	C	S	.	.			trans	-71.5	84.5	172.2	176.9	48.6	0	0	0	111.1	Y585 S628 Q629 C641 P649 I651	Y585-L626 HydrophobicContact CE1-CD1 4.34Å; Y585-L626 HydrophobicContact CE2-CD1 3.82Å; Y585-L626 VanDerWaalsContact OH-CD1 3.32Å; Y585-L626 WeakPolarHBondContact OH-CD1 3.4Å; Y585-L626 WeakPolarHBondContact OH-CD2 3.23Å; L626-S628 PolarHBondContact O-N 3.45Å; L626-Q629 HydrophobicContact CD2-CB 4.13Å; L626-Q629 HydrophobicContact CD2-CG 4.1Å; L626-Q629 HydrophobicContact CG-CB 4.11Å; L626-C641 HydrophobicContact CD2-CB 4.06Å; L626-P649 HydrophobicContact CB-CB 4.22Å; L626-P649 VanDerWaalsContact CB-O 3.31Å; L626-P649 WeakPolarHBondContact CB-O 3.37Å; L626-P649 HydrophobicContact CD2-CB 4.37Å; L626-P649 HydrophobicContact CD2-CG 4.34Å; L626-P649 PolarHBondContact N-O 3.41Å; L626-I651 HydrophobicContact CB-CD1 4.2Å; L626-I651 HydrophobicContact CB-CG1 4.35Å; L626-I651 HydrophobicContact CB-CG2 4.32Å; L626-I651 HydrophobicContact CD1-CD1 4.04Å
627	T	82.8	Confident	86.7	Confident	65 Å²	65	46.1 Å²	46.1	40%	0.399	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15	179	45.2	0	0	0	0	116.2	V70 K612 D625	V70-T627 WeakPolarHBondContact CG2-O 3.18Å; K612-T627 PolarHBondContact NZ-OG1 3.1Å; D625-T627 VanDerWaalsContact C-N 3.3Å; D625-T627 PolarHBondContact O-N 2.99Å
628	S	83	Confident	87.6	Confident	12 Å²	12	38.2 Å²	38.2	8%	0.084	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.7	57.7	-175.7	66.2	0	0	0	0	111	K612 L626 A631	K612-S628 PolarHBondContact NZ-OG 3.46Å; L626-S628 PolarHBondContact O-N 3.45Å; S628-A631 VanDerWaalsContact O-CB 3.28Å; S628-A631 WeakPolarHBondContact O-CB 3.47Å; S628-A631 PolarHBondContact O-N 3.3Å; S628-A631 VanDerWaalsContact O-N 3.09Å
629	Q	84.7	Confident	88.8	Confident	70 Å²	70	36.1 Å²	36.1	33%	0.327	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	138.4	176.2	-166.1	171.5	14.3	0	0	110.5	L626 A631 C641 V643	L626-Q629 HydrophobicContact CD2-CB 4.13Å; L626-Q629 HydrophobicContact CD2-CG 4.1Å; L626-Q629 HydrophobicContact CG-CB 4.11Å; Q629-A631 VanDerWaalsContact C-N 3.32Å; Q629-C641 WeakPolarHBondContact CG-O 3.39Å; Q629-C641 PolarHBondContact NE2-O 2.77Å; Q629-V643 PolarHBondContact NE2-O 2.97Å
630	G	86.2	Confident	89.7	Confident	31 Å²	31	32.9 Å²	32.9	32%	0.32	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-10.8	-170.8	0	0	0	0	0	114.9	Y634	G630-Y634 WeakPolarHBondContact O-CE1 3.35Å; G630-Y634 PolarHBondContact O-OH 3.18Å
631	A	88.2	Confident	90.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.			trans	-82.5	156.9	166.9	0	0	0	0	0	111.8	L610 S628 Q629	L610-A631 HydrophobicContact CD1-CB 4.44Å; L610-A631 HydrophobicContact CD2-CB 4.16Å; S628-A631 VanDerWaalsContact O-CB 3.28Å; S628-A631 WeakPolarHBondContact O-CB 3.47Å; S628-A631 PolarHBondContact O-N 3.3Å; S628-A631 VanDerWaalsContact O-N 3.09Å; Q629-A631 VanDerWaalsContact C-N 3.32Å
632	G	91	Very high	91.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	111	-161.5	-179.8	0	0	0	0	0	113.2	R66	R66-G632 PolarHBondContact NH2-O 2.98Å; R66-G632 VanDerWaalsContact NH2-O 3.15Å
633	T	95.3	Very high	92.2	Very high	16 Å²	16	22.8 Å²	22.8	10%	0.098	13%	0.127	C	C	.	.			trans	-125.1	100.8	-179.9	-50.9	0	0	0	0	109.3	D586 K588 W635 Y636	D586-T633 VanDerWaalsContact OD1-CB 3.27Å; D586-T633 WeakPolarHBondContact OD1-CB 3.39Å; D586-T633 PolarHBondContact OD1-N 2.77Å; D586-T633 PolarHBondContact OD1-OG1 3.21Å; K588-T633 HydrophobicContact CD-CG2 4.13Å; K588-T633 VanDerWaalsContact CD-OG1 3.3Å; K588-T633 WeakPolarHBondContact CD-OG1 3.12Å; K588-T633 PolarHBondContact NZ-OG1 3.43Å; T633-W635 VanDerWaalsContact C-N 3.32Å; T633-W635 HydrophobicContact CG2-CE3 3.86Å; T633-W635 HydrophobicContact CG2-CZ3 4.06Å; T633-W635 PolarHBondContact O-N 3.46Å; T633-Y636 HydrophobicContact CG2-CD2 3.68Å; T633-Y636 HydrophobicContact CG2-CE2 3.71Å; T633-Y636 PolarHBondContact O-N 2.96Å
634	Y	97.6	Very high	92.4	Very high	16 Å²	16	28.9 Å²	28.9	6%	0.063	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31	-153.8	-64	-12.7	0	0	0	116.3	G630 Y636 L637 F642 Q680 I683 L684	G630-Y634 WeakPolarHBondContact O-CE1 3.35Å; G630-Y634 PolarHBondContact O-OH 3.18Å; Y634-Y636 PolarHBondContact O-N 3.07Å; Y634-L637 HydrophobicContact CD1-CD1 3.98Å; Y634-L637 PolarHBondContact O-N 3.29Å; Y634-F642 HydrophobicContact CD1-CE1 4.11Å; Y634-F642 HydrophobicContact CD1-CZ 4.24Å; Y634-F642 HydrophobicContact CD2-CE1 4.24Å; Y634-F642 AromaticContact CG-CE1 3.88Å; Y634-F642 HydrophobicContact CG-CE1 3.88Å; Y634-F642 HydrophobicContact CG-CZ 4.06Å; Y634-Q680 HydrophobicContact CD2-CB 3.56Å; Y634-Q680 HydrophobicContact CD2-CG 4.03Å; Y634-Q680 VanDerWaalsContact CD2-O 3.32Å; Y634-Q680 WeakPolarHBondContact CD2-O 3.47Å; Y634-Q680 HydrophobicContact CE2-CB 3.76Å; Y634-Q680 WeakPolarHBondContact CE2-O 3.35Å; Y634-Q680 HydrophobicContact CG-CB 4.36Å; Y634-Q680 HydrophobicContact CG-CG 4.35Å; Y634-I683 HydrophobicContact CD2-CG2 4.34Å; Y634-L684 HydrophobicContact CD2-CD2 4.36Å; Y634-L684 HydrophobicContact CD2-CG 4.06Å; Y634-L684 HydrophobicContact CE2-CD1 3.51Å; Y634-L684 HydrophobicContact CE2-CD2 3.9Å; Y634-L684 HydrophobicContact CE2-CG 3.5Å
635	W	98.3	Very high	92.2	Very high	47 Å²	47	31.1 Å²	31.1	18%	0.178	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.2	-23.1	177.2	-56.8	-87.4	0	0	0	113.9	T633 V662 K672 G675 Q678 Q680 I683	T633-W635 VanDerWaalsContact C-N 3.32Å; T633-W635 HydrophobicContact CG2-CE3 3.86Å; T633-W635 HydrophobicContact CG2-CZ3 4.06Å; T633-W635 PolarHBondContact O-N 3.46Å; W635-V662 WeakPolarHBondContact O-CG1 3.39Å; W635-K672 HydrophobicContact CB-CD 3.86Å; W635-K672 HydrophobicContact CD2-CD 4.19Å; W635-K672 VanDerWaalsContact CE2-CE 3.46Å; W635-K672 HydrophobicContact CG-CD 3.69Å; W635-G675 PolarHBondContact NE1-O 2.84Å; W635-Q678 WeakPolarHBondContact CZ2-O 3.41Å; W635-Q680 HydrophobicContact CE3-CG 4.5Å; W635-Q680 HydrophobicContact CH2-CG 3.88Å; W635-Q680 HydrophobicContact CZ3-CG 3.79Å; W635-I683 VanDerWaalsContact CD1-CD1 3.45Å; W635-I683 HydrophobicContact CD2-CD1 4.09Å; W635-I683 HydrophobicContact CG-CD1 3.95Å
636	Y	98.6	Very high	92.1	Very high	17 Å²	17	38.4 Å²	38.4	7%	0.067	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-105.6	1.3	-177.9	-46.4	-86.3	0	0	0	112.8	L587 K588 P589 T633 Y634 S659 V662 I663 Q666	L587-Y636 WeakPolarHBondContact O-CB 3.48Å; K588-Y636 HydrophobicContact CB-CD1 4.32Å; K588-Y636 HydrophobicContact CB-CD2 3.67Å; K588-Y636 HydrophobicContact CB-CE1 4.33Å; K588-Y636 HydrophobicContact CB-CE2 3.66Å; K588-Y636 HydrophobicContact CB-CG 4.02Å; P589-Y636 VanDerWaalsContact CD-CE1 3.43Å; P589-Y636 VanDerWaalsContact CD-CZ 3.45Å; P589-Y636 WeakPolarHBondContact CD-OH 3.21Å; P589-Y636 HydrophobicContact CG-CE1 4.19Å; T633-Y636 HydrophobicContact CG2-CD2 3.68Å; T633-Y636 HydrophobicContact CG2-CE2 3.71Å; T633-Y636 PolarHBondContact O-N 2.96Å; Y634-Y636 PolarHBondContact O-N 3.07Å; Y636-S659 WeakPolarHBondContact O-CB 3.41Å; Y636-S659 PolarHBondContact O-OG 3.22Å; Y636-V662 HydrophobicContact CD1-CB 3.96Å; Y636-V662 HydrophobicContact CD1-CG1 3.38Å; Y636-V662 HydrophobicContact CE1-CG1 3.69Å; Y636-V662 HydrophobicContact CG-CG1 4.26Å; Y636-I663 HydrophobicContact CD1-CG1 4.06Å; Y636-I663 HydrophobicContact CE1-CG1 4.22Å; Y636-Q666 PolarHBondContact OH-OE1 3.29Å
637	L	98	Very high	92.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	25%	0.25	C	C	.	.	S	Bend	trans	-91.8	146	173.9	-64.3	-178	0	0	0	110.6	Y585 Y634 C641 F642 V655 W658 I689	Y585-L637 HydrophobicContact CE1-CD2 4.22Å; Y585-L637 HydrophobicContact CE2-CD2 4.35Å; Y634-L637 HydrophobicContact CD1-CD1 3.98Å; Y634-L637 PolarHBondContact O-N 3.29Å; L637-C641 HydrophobicContact CB-CB 4.38Å; L637-F642 HydrophobicContact CB-CE2 3.73Å; L637-F642 HydrophobicContact CB-CZ 3.93Å; L637-F642 HydrophobicContact CD1-CZ 4.33Å; L637-V655 HydrophobicContact CD2-CG1 4.45Å; L637-W658 VanDerWaalsContact C-CD1 3.43Å; L637-W658 PolarHBondContact O-NE1 3.47Å; L637-I689 WeakPolarHBondContact O-CG2 3.39Å
638	P	97.9	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.247	C	C	.	.			trans	-83.2	167	179.9	37	-40.8	0	0	0	113.2	E640 C641 F642 V655 W658 R722	P638-E640 VanDerWaalsContact C-N 3.31Å; P638-E640 WeakPolarHBondContact CB-OE1 3.36Å; P638-E640 WeakPolarHBondContact CB-OE2 3.23Å; P638-E640 VanDerWaalsContact CG-CD 3.45Å; P638-E640 HydrophobicContact CG-CG 4.1Å; P638-E640 WeakPolarHBondContact CG-OE1 3.32Å; P638-E640 PolarHBondContact O-N 3.12Å; P638-C641 PolarHBondContact O-N 3.26Å; P638-F642 VanDerWaalsContact O-CD2 3.26Å; P638-F642 WeakPolarHBondContact O-CD2 3.36Å; P638-F642 WeakPolarHBondContact O-CE2 3.31Å; P638-V655 HydrophobicContact CG-CB 4.31Å; P638-V655 HydrophobicContact CG-CG1 4.19Å; P638-V655 HydrophobicContact CG-CG2 4.01Å; P638-W658 HydrophobicContact CB-CB 3.81Å; P638-W658 HydrophobicContact CB-CD2 3.82Å; P638-W658 HydrophobicContact CB-CE3 4.24Å; P638-W658 HydrophobicContact CB-CG 3.62Å; P638-R722 VanDerWaalsContact CB-NH1 3.26Å
639	P	97.6	Very high	92.8	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.026	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-54.4	-39.9	-176.7	-25.9	34.5	0	0	0	114.5	C641 F642 W658 I689 L690 Y717	P639-C641 PolarHBondContact O-N 2.81Å; P639-F642 PolarHBondContact O-N 2.61Å; P639-W658 HydrophobicContact CG-CH2 3.94Å; P639-W658 HydrophobicContact CG-CZ2 4.41Å; P639-W658 HydrophobicContact CG-CZ3 4.21Å; P639-I689 HydrophobicContact CG-CG2 4.16Å; P639-L690 HydrophobicContact CB-CD2 4.39Å; P639-L690 VanDerWaalsContact O-CD2 3.23Å; P639-L690 WeakPolarHBondContact O-CD2 3.37Å; P639-Y717 HydrophobicContact CB-CD2 4.02Å; P639-Y717 HydrophobicContact CB-CE2 3.63Å; P639-Y717 HydrophobicContact CG-CD2 3.52Å; P639-Y717 HydrophobicContact CG-CE2 3.64Å; P639-Y717 HydrophobicContact CG-CG 4.39Å
640	E	96.1	Very high	93.2	Very high	20 Å²	20	45.2 Å²	45.2	9%	0.093	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-58.9	-31.9	-178	60.1	-88.1	-160.2	0	0	113.5	P638 F642 V643 P649 I651 K719 R722	P638-E640 VanDerWaalsContact C-N 3.31Å; P638-E640 WeakPolarHBondContact CB-OE1 3.36Å; P638-E640 WeakPolarHBondContact CB-OE2 3.23Å; P638-E640 VanDerWaalsContact CG-CD 3.45Å; P638-E640 HydrophobicContact CG-CG 4.1Å; P638-E640 WeakPolarHBondContact CG-OE1 3.32Å; P638-E640 PolarHBondContact O-N 3.12Å; E640-F642 PolarHBondContact O-N 3.32Å; E640-F642 VanDerWaalsContact O-N 3.16Å; E640-V643 PolarHBondContact O-N 2.57Å; E640-P649 VanDerWaalsContact O-CB 3.28Å; E640-P649 WeakPolarHBondContact O-CB 3.27Å; E640-P649 WeakPolarHBondContact O-CG 3.3Å; E640-I651 HydrophobicContact CG-CG2 4.39Å; E640-K719 HydrophobicContact CB-CD 4.41Å; E640-K719 HydrophobicContact CG-CD 4.22Å; E640-R722 IonicContact OE1-CZ 3.19Å; E640-R722 IonicContact OE1-NH1 2.65Å; E640-R722 PolarHBondContact OE1-NH1 3.46Å; E640-R722 IonicContact OE1-NH2 2.81Å; E640-R722 PolarHBondContact OE1-NH2 2.81Å; E640-R722 IonicContact OE2-CZ 3.84Å; E640-R722 IonicContact OE2-NH1 3.17Å; E640-R722 IonicContact OE2-NH2 2.82Å; E640-R722 PolarHBondContact OE2-NH2 2.72Å
641	C	96.4	Very high	93.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.034	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-65.7	-17.3	177.8	-66.4	0	0	0	0	113.7	L626 Q629 L637 P638 P639	L626-C641 HydrophobicContact CD2-CB 4.06Å; Q629-C641 WeakPolarHBondContact CG-O 3.39Å; Q629-C641 PolarHBondContact NE2-O 2.77Å; L637-C641 HydrophobicContact CB-CB 4.38Å; P638-C641 PolarHBondContact O-N 3.26Å; P639-C641 PolarHBondContact O-N 2.81Å
642	F	95.9	Very high	94	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.096	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-101.1	-3.9	-177.9	-61.4	-86.6	0	0	0	113.5	Y634 L637 P638 P639 E640 V644 I683 L684 I689 L690	Y634-F642 HydrophobicContact CD1-CE1 4.11Å; Y634-F642 HydrophobicContact CD1-CZ 4.24Å; Y634-F642 HydrophobicContact CD2-CE1 4.24Å; Y634-F642 AromaticContact CG-CE1 3.88Å; Y634-F642 HydrophobicContact CG-CE1 3.88Å; Y634-F642 HydrophobicContact CG-CZ 4.06Å; L637-F642 HydrophobicContact CB-CE2 3.73Å; L637-F642 HydrophobicContact CB-CZ 3.93Å; L637-F642 HydrophobicContact CD1-CZ 4.33Å; P638-F642 VanDerWaalsContact O-CD2 3.26Å; P638-F642 WeakPolarHBondContact O-CD2 3.36Å; P638-F642 WeakPolarHBondContact O-CE2 3.31Å; P639-F642 PolarHBondContact O-N 2.61Å; E640-F642 PolarHBondContact O-N 3.32Å; E640-F642 VanDerWaalsContact O-N 3.16Å; F642-V644 PolarHBondContact O-N 3.46Å; F642-I683 HydrophobicContact CE1-CG2 4.34Å; F642-L684 HydrophobicContact CD1-CD2 3.87Å; F642-L684 HydrophobicContact CE1-CD2 4.06Å; F642-I689 HydrophobicContact CD2-CB 3.78Å; F642-I689 HydrophobicContact CD2-CG1 4.31Å; F642-I689 HydrophobicContact CD2-CG2 3.87Å; F642-I689 HydrophobicContact CE2-CB 3.67Å; F642-I689 HydrophobicContact CE2-CG1 3.73Å; F642-I689 HydrophobicContact CE2-CG2 3.7Å; F642-I689 HydrophobicContact CG-CB 4.46Å; F642-I689 HydrophobicContact CZ-CB 4.26Å; F642-I689 HydrophobicContact CZ-CG1 3.87Å; F642-L690 HydrophobicContact CB-CD1 4.13Å; F642-L690 HydrophobicContact CB-CD2 3.97Å; F642-L690 HydrophobicContact CB-CG 3.8Å
643	V	92.8	Very high	94.2	Very high	78 Å²	78	45 Å²	45	47%	0.473	24%	0.24	S	C	.	.			trans	-70.1	119.5	176.9	179.6	0	0	0	0	109.1	Q629 E640 P649 L690	Q629-V643 PolarHBondContact NE2-O 2.97Å; E640-V643 PolarHBondContact O-N 2.57Å; V643-P649 WeakPolarHBondContact O-CG 3.45Å; V643-L690 HydrophobicContact CG2-CD2 3.95Å
644	V	88.8	Confident	94.3	Very high	128 Å²	128	45.8 Å²	45.8	78%	0.776	24%	0.242	S	C	*	.			trans	-102.1	123.9	174.6	-177.6	0	0	0	0	108.4	F642	F642-V644 PolarHBondContact O-N 3.46Å
645	G	88.3	Confident	94.3	Very high	55 Å²	55	45 Å²	45	57%	0.567	24%	0.239	S	C	*	.	S	Bend	trans	-147.9	-168	-177	0	0	0	0	0	112
646	K	87.9	Confident	94.4	Very high	210 Å²	210	42.8 Å²	42.8	91%	0.913	23%	0.231	S	C	*	.	S	Bend	trans	-70.2	-43	171.2	-71.1	-174.3	176.7	-176.7	0	111.7
647	E	89.2	Confident	94.4	Very high	149 Å²	149	42 Å²	42	70%	0.696	23%	0.228	S	C	*	.	S	Bend	trans	-94.1	147.1	175.6	-55.5	-51.8	139.5	0	0	110
648	P	88.5	Confident	94.4	Very high	51 Å²	51	41.8 Å²	41.8	33%	0.331	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-66.1	156.1	173.2	28.7	-34.6	0	0	0	111.6	D625 K650	D625-P648 HydrophobicContact CB-CG 3.94Å; D625-P648 WeakPolarHBondContact OD1-CG 3.4Å; P648-K650 PolarHBondContact O-N 2.91Å
649	P	91.5	Very high	94.5	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.078	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60.3	132.8	175.3	-26.8	35.5	0	0	0	113.4	L626 E640 V643	L626-P649 HydrophobicContact CB-CB 4.22Å; L626-P649 VanDerWaalsContact CB-O 3.31Å; L626-P649 WeakPolarHBondContact CB-O 3.37Å; L626-P649 HydrophobicContact CD2-CB 4.37Å; L626-P649 HydrophobicContact CD2-CG 4.34Å; L626-P649 PolarHBondContact N-O 3.41Å; E640-P649 VanDerWaalsContact O-CB 3.28Å; E640-P649 WeakPolarHBondContact O-CB 3.27Å; E640-P649 WeakPolarHBondContact O-CG 3.3Å; V643-P649 WeakPolarHBondContact O-CG 3.45Å
650	K	93.3	Very high	94.5	Very high	82 Å²	82	41.7 Å²	41.7	36%	0.357	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.4	166.5	-61.4	-66.1	-177.5	-174.5	0	110.3	D622 M624 D625 P648	D622-K650 HydrophobicContact CB-CG 4.34Å; D622-K650 WeakPolarHBondContact O-CB 3.25Å; M624-K650 CarbonylContact O-C 3.57Å; M624-K650 WeakPolarHBondContact O-CA 2.97Å; D625-K650 VanDerWaalsContact OD1-CD 3.26Å; D625-K650 WeakPolarHBondContact OD1-CD 3.3Å; D625-K650 WeakPolarHBondContact OD1-CE 3.37Å; D625-K650 IonicContact OD1-NZ 3.49Å; D625-K650 PolarHBondContact OD1-NZ 2.81Å; D625-K650 IonicContact OD2-NZ 3.66Å; D625-K650 PolarHBondContact OD2-NZ 3.47Å; P648-K650 PolarHBondContact O-N 2.91Å
651	I	94.9	Very high	94.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	159.9	-177.9	61.4	165.6	0	0	0	112.3	Y585 G623 M624 L626 E640 V655	Y585-I651 HydrophobicContact CD2-CD1 3.92Å; Y585-I651 HydrophobicContact CE2-CD1 3.74Å; G623-I651 WeakPolarHBondContact CA-O 3.29Å; M624-I651 HydrophobicContact CE-CD1 3.99Å; M624-I651 HydrophobicContact CE-CG1 4.02Å; M624-I651 HydrophobicContact CG-CG1 4.13Å; M624-I651 WeakPolarHBondContact CG-O 3.33Å; M624-I651 PolarHBondContact N-O 2.87Å; M624-I651 PolarHBondContact O-N 3.2Å; L626-I651 HydrophobicContact CB-CD1 4.2Å; L626-I651 HydrophobicContact CB-CG1 4.35Å; L626-I651 HydrophobicContact CB-CG2 4.32Å; L626-I651 HydrophobicContact CD1-CD1 4.04Å; E640-I651 HydrophobicContact CG-CG2 4.39Å; I651-V655 HydrophobicContact CB-CG2 3.83Å; I651-V655 HydrophobicContact CG2-CG2 4.03Å
652	S	95.6	Very high	94.8	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	22%	0.22	C	C	.	.			trans	-147.9	-174	176.7	66.4	0	0	0	0	110.6	Y619 K654 V655	Y619-S652 VanDerWaalsContact OH-CB 3.26Å; Y619-S652 WeakPolarHBondContact OH-CB 3.14Å; S652-K654 PolarHBondContact O-N 2.94Å; S652-V655 WeakPolarHBondContact O-CG2 3.41Å; S652-V655 PolarHBondContact O-N 3.08Å
653	N	96.3	Very high	94.9	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.07	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-17	174.7	69.5	4.9	0	0	0	114.8	N576 M614 V655 D656 V657 D724 V725	N576-N653 WeakPolarHBondContact OD1-CB 3.49Å; N576-N653 PolarHBondContact OD1-ND2 3.48Å; M614-N653 HydrophobicContact CE-CB 4.4Å; N653-V655 PolarHBondContact O-N 3.07Å; N653-V655 VanDerWaalsContact O-N 3.15Å; N653-D656 PolarHBondContact O-N 3.43Å; N653-D656 VanDerWaalsContact O-N 3.11Å; N653-V657 PolarHBondContact O-N 2.85Å; N653-D724 WeakPolarHBondContact OD1-CB 3.44Å; N653-V725 HydrophobicContact CB-CB 4.4Å; N653-V725 HydrophobicContact CB-CG2 3.76Å
654	K	97.9	Very high	95.2	Very high	34 Å²	34	35.7 Å²	35.7	15%	0.148	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-14	172.7	-60.8	-164.5	179.3	-162.4	0	114	S652 W658 K719 E720 R722 D724	S652-K654 PolarHBondContact O-N 2.94Å; K654-W658 PolarHBondContact O-N 2.81Å; K654-K719 WeakPolarHBondContact CD-O 3.46Å; K654-K719 WeakPolarHBondContact CE-O 3.48Å; K654-K719 PolarHBondContact NZ-O 3.42Å; K654-E720 PolarHBondContact NZ-O 3.29Å; K654-R722 HydrophobicContact CD-CB 4.45Å; K654-R722 WeakPolarHBondContact CD-O 3.32Å; K654-R722 VanDerWaalsContact CE-O 3.27Å; K654-R722 WeakPolarHBondContact CE-O 3.17Å; K654-R722 PolarHBondContact NZ-O 2.89Å; K654-R722 WeakPolarHBondContact O-CD 3.41Å; K654-R722 PolarHBondContact O-NH1 2.87Å; K654-D724 HydrophobicContact CG-CB 4.13Å
655	V	97.8	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.8	-50.4	169.1	176.4	0	0	0	0	110.6	I583 Y585 L637 P638 I651 S652 N653 V657 W658 S659	I583-V655 HydrophobicContact CG2-CB 4.37Å; Y585-V655 HydrophobicContact CD2-CG1 3.86Å; Y585-V655 HydrophobicContact CE2-CG1 4.09Å; L637-V655 HydrophobicContact CD2-CG1 4.45Å; P638-V655 HydrophobicContact CG-CB 4.31Å; P638-V655 HydrophobicContact CG-CG1 4.19Å; P638-V655 HydrophobicContact CG-CG2 4.01Å; I651-V655 HydrophobicContact CB-CG2 3.83Å; I651-V655 HydrophobicContact CG2-CG2 4.03Å; S652-V655 WeakPolarHBondContact O-CG2 3.41Å; S652-V655 PolarHBondContact O-N 3.08Å; N653-V655 PolarHBondContact O-N 3.07Å; N653-V655 VanDerWaalsContact O-N 3.15Å; V655-V657 VanDerWaalsContact C-N 3.28Å; V655-V657 PolarHBondContact O-N 3.01Å; V655-W658 WeakPolarHBondContact O-CB 3.22Å; V655-W658 PolarHBondContact O-N 3.07Å; V655-W658 VanDerWaalsContact O-N 3.17Å; V655-S659 PolarHBondContact O-N 3.48Å; V655-S659 PolarHBondContact O-OG 2.85Å
656	D	98.5	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-32.1	-179.6	-66.7	-28.2	0	0	0	111.7	L572 I583 H584 Y585 L587 N653 W658 S659 V660	L572-D656 HydrophobicContact CD1-CB 3.93Å; L572-D656 HydrophobicContact CD2-CB 3.72Å; L572-D656 HydrophobicContact CG-CB 4.49Å; I583-D656 WeakPolarHBondContact CA-OD2 3.5Å; I583-D656 WeakPolarHBondContact CG2-OD2 3.47Å; H584-D656 PolarHBondContact N-OD1 3.26Å; H584-D656 PolarHBondContact N-OD2 3.19Å; Y585-D656 PolarHBondContact N-OD1 3.31Å; L587-D656 HydrophobicContact CD1-CB 4.31Å; N653-D656 PolarHBondContact O-N 3.43Å; N653-D656 VanDerWaalsContact O-N 3.11Å; D656-W658 VanDerWaalsContact C-N 3.34Å; D656-W658 PolarHBondContact O-N 2.8Å; D656-S659 WeakPolarHBondContact O-CB 3.47Å; D656-S659 PolarHBondContact O-N 2.85Å; D656-V660 WeakPolarHBondContact O-CG2 3.42Å; D656-V660 PolarHBondContact O-N 2.8Å
657	V	98.8	Very high	96.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-41.6	173.7	173	0	0	0	0	111.9	N653 V655 V660 G661 C714 R722 F723 V725 L728	N653-V657 PolarHBondContact O-N 2.85Å; V655-V657 VanDerWaalsContact C-N 3.28Å; V655-V657 PolarHBondContact O-N 3.01Å; V657-V660 PolarHBondContact O-N 3.26Å; V657-G661 PolarHBondContact O-N 2.78Å; V657-G661 VanDerWaalsContact O-N 3.08Å; V657-C714 HydrophobicContact CG1-CB 4.28Å; V657-C714 WeakPolarHBondContact O-CB 3.38Å; V657-R722 HydrophobicContact CG1-CG 4.23Å; V657-F723 HydrophobicContact CG1-CB 4.48Å; V657-F723 WeakPolarHBondContact CG1-O 3.39Å; V657-F723 WeakPolarHBondContact CG2-O 3.42Å; V657-V725 HydrophobicContact CG2-CG2 3.79Å; V657-L728 HydrophobicContact CB-CD2 4.39Å; V657-L728 HydrophobicContact CG1-CD1 4.48Å; V657-L728 HydrophobicContact CG1-CD2 4.09Å; V657-L728 HydrophobicContact CG2-CB 4.47Å; V657-L728 HydrophobicContact CG2-CD2 4.03Å
658	W	98.8	Very high	97.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.9	-45.1	173.6	176.5	-84.1	0	0	0	111.1	L637 P638 P639 K654 V655 D656 V660 G661 V662 F674 I689 A692 L715	L637-W658 VanDerWaalsContact C-CD1 3.43Å; L637-W658 PolarHBondContact O-NE1 3.47Å; P638-W658 HydrophobicContact CB-CB 3.81Å; P638-W658 HydrophobicContact CB-CD2 3.82Å; P638-W658 HydrophobicContact CB-CE3 4.24Å; P638-W658 HydrophobicContact CB-CG 3.62Å; P639-W658 HydrophobicContact CG-CH2 3.94Å; P639-W658 HydrophobicContact CG-CZ2 4.41Å; P639-W658 HydrophobicContact CG-CZ3 4.21Å; K654-W658 PolarHBondContact O-N 2.81Å; V655-W658 WeakPolarHBondContact O-CB 3.22Å; V655-W658 PolarHBondContact O-N 3.07Å; V655-W658 VanDerWaalsContact O-N 3.17Å; D656-W658 VanDerWaalsContact C-N 3.34Å; D656-W658 PolarHBondContact O-N 2.8Å; W658-V660 VanDerWaalsContact C-N 3.3Å; W658-V660 PolarHBondContact O-N 2.85Å; W658-G661 WeakPolarHBondContact O-CA 3.28Å; W658-G661 PolarHBondContact O-N 2.85Å; W658-V662 WeakPolarHBondContact O-CG2 3.49Å; W658-V662 PolarHBondContact O-N 3.2Å; W658-F674 HydrophobicContact CH2-CD2 4.32Å; W658-F674 AromaticContact CH2-CE2 3.62Å; W658-F674 HydrophobicContact CH2-CE2 3.62Å; W658-F674 HydrophobicContact CH2-CZ 4.24Å; W658-F674 AromaticContact CZ2-CD2 3.76Å; W658-F674 HydrophobicContact CZ2-CD2 3.76Å; W658-F674 AromaticContact CZ2-CE2 3.44Å; W658-F674 HydrophobicContact CZ2-CE2 3.44Å; W658-F674 VanDerWaalsContact CZ2-CE2 3.44Å; W658-F674 HydrophobicContact CZ2-CZ 4.46Å; W658-I689 HydrophobicContact CZ2-CG2 4.17Å; W658-A692 HydrophobicContact CH2-CB 4.18Å; W658-A692 HydrophobicContact CZ2-CB 4.43Å; W658-L715 HydrophobicContact CD2-CD2 3.62Å; W658-L715 HydrophobicContact CE3-CB 4.28Å; W658-L715 HydrophobicContact CE3-CD2 3.79Å; W658-L715 HydrophobicContact CG-CD2 4.03Å; W658-L715 HydrophobicContact CH2-CD2 4.49Å; W658-L715 HydrophobicContact CZ2-CD2 4.36Å; W658-L715 HydrophobicContact CZ3-CB 4.11Å; W658-L715 HydrophobicContact CZ3-CD2 4.22Å; W658-L715 WeakPolarHBondContact CZ3-O 3.41Å; W658-L715 WeakPolarHBondContact O-CD2 3.47Å
659	S	98.8	Very high	97.5	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-56.3	-43.7	176.3	-48.4	0	0	0	0	111.8	Y636 V655 D656 G661 V662 I663	Y636-S659 WeakPolarHBondContact O-CB 3.41Å; Y636-S659 PolarHBondContact O-OG 3.22Å; V655-S659 PolarHBondContact O-N 3.48Å; V655-S659 PolarHBondContact O-OG 2.85Å; D656-S659 WeakPolarHBondContact O-CB 3.47Å; D656-S659 PolarHBondContact O-N 2.85Å; S659-G661 PolarHBondContact O-N 3.32Å; S659-V662 PolarHBondContact O-N 2.8Å; S659-I663 WeakPolarHBondContact O-CB 3.24Å; S659-I663 VanDerWaalsContact O-CD1 3.31Å; S659-I663 WeakPolarHBondContact O-CD1 3.48Å; S659-I663 WeakPolarHBondContact O-CG1 3.3Å; S659-I663 PolarHBondContact O-N 3.17Å
660	V	98.9	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-59.2	-43.4	173.6	170.9	0	0	0	0	111.9	V565 I568 V569 L572 L587 D656 V657 W658 V662 I663 F664 L728	V565-V660 HydrophobicContact CG1-CG1 3.87Å; I568-V660 HydrophobicContact CG2-CG2 3.8Å; V569-V660 HydrophobicContact CG2-CG1 4.17Å; L572-V660 HydrophobicContact CD1-CG2 3.61Å; L587-V660 HydrophobicContact CD1-CG2 4.26Å; D656-V660 WeakPolarHBondContact O-CG2 3.42Å; D656-V660 PolarHBondContact O-N 2.8Å; V657-V660 PolarHBondContact O-N 3.26Å; W658-V660 VanDerWaalsContact C-N 3.3Å; W658-V660 PolarHBondContact O-N 2.85Å; V660-V662 PolarHBondContact O-N 3.12Å; V660-I663 PolarHBondContact O-N 3.02Å; V660-F664 WeakPolarHBondContact O-CB 3.34Å; V660-F664 PolarHBondContact O-N 2.78Å; V660-L728 HydrophobicContact CB-CD2 4.46Å; V660-L728 HydrophobicContact CG1-CD2 4.22Å
661	G	98.8	Very high	97.9	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.4	-43.6	175.5	0	0	0	0	0	113.1	V657 W658 S659 F665 C714	V657-G661 PolarHBondContact O-N 2.78Å; V657-G661 VanDerWaalsContact O-N 3.08Å; W658-G661 WeakPolarHBondContact O-CA 3.28Å; W658-G661 PolarHBondContact O-N 2.85Å; S659-G661 PolarHBondContact O-N 3.32Å; G661-F665 WeakPolarHBondContact O-CB 3.39Å; G661-F665 PolarHBondContact O-N 3.06Å; G661-C714 VanDerWaalsContact CA-CB 3.42Å
662	V	98.9	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-46.7	176.8	175.3	0	0	0	0	111.2	W635 Y636 W658 S659 V660 F664 F665 Q666 P673 L715	W635-V662 WeakPolarHBondContact O-CG1 3.39Å; Y636-V662 HydrophobicContact CD1-CB 3.96Å; Y636-V662 HydrophobicContact CD1-CG1 3.38Å; Y636-V662 HydrophobicContact CE1-CG1 3.69Å; Y636-V662 HydrophobicContact CG-CG1 4.26Å; W658-V662 WeakPolarHBondContact O-CG2 3.49Å; W658-V662 PolarHBondContact O-N 3.2Å; S659-V662 PolarHBondContact O-N 2.8Å; V660-V662 PolarHBondContact O-N 3.12Å; V662-F664 PolarHBondContact O-N 3.11Å; V662-F665 PolarHBondContact O-N 3.12Å; V662-Q666 WeakPolarHBondContact O-CB 3.22Å; V662-Q666 PolarHBondContact O-N 3.41Å; V662-P673 HydrophobicContact CG1-CG 4.29Å; V662-P673 HydrophobicContact CG2-CG 4.15Å; V662-L715 HydrophobicContact CG2-CD2 3.79Å
663	I	98.8	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.8	-46.5	178.5	-69.6	158.1	0	0	0	110.3	L546 I568 L587 P589 I592 Y636 S659 V660 Q666 C667	L546-I663 HydrophobicContact CD2-CG2 4.09Å; I568-I663 HydrophobicContact CD1-CG2 4.34Å; L587-I663 HydrophobicContact CB-CD1 4.29Å; P589-I663 HydrophobicContact CG-CG1 4.32Å; I592-I663 HydrophobicContact CD1-CD1 3.91Å; I592-I663 HydrophobicContact CD1-CG2 4.11Å; Y636-I663 HydrophobicContact CD1-CG1 4.06Å; Y636-I663 HydrophobicContact CE1-CG1 4.22Å; S659-I663 WeakPolarHBondContact O-CB 3.24Å; S659-I663 VanDerWaalsContact O-CD1 3.31Å; S659-I663 WeakPolarHBondContact O-CD1 3.48Å; S659-I663 WeakPolarHBondContact O-CG1 3.3Å; S659-I663 PolarHBondContact O-N 3.17Å; V660-I663 PolarHBondContact O-N 3.02Å; I663-Q666 PolarHBondContact O-N 2.93Å; I663-C667 PolarHBondContact O-N 3.13Å; I663-C667 PolarHBondContact O-SG 3.44Å
664	F	98.8	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-45.7	-179.7	-174.2	-138.7	0	0	0	111.7	A561 V565 V660 V662 Q666 C667 L668 A707 F710 I711 Y733	A561-F664 HydrophobicContact CB-CD2 3.81Å; A561-F664 HydrophobicContact CB-CE2 3.62Å; V565-F664 HydrophobicContact CG2-CB 3.65Å; V565-F664 HydrophobicContact CG2-CD2 3.58Å; V565-F664 HydrophobicContact CG2-CE2 4.45Å; V565-F664 HydrophobicContact CG2-CG 3.73Å; V660-F664 WeakPolarHBondContact O-CB 3.34Å; V660-F664 PolarHBondContact O-N 2.78Å; V662-F664 PolarHBondContact O-N 3.11Å; F664-Q666 VanDerWaalsContact C-N 3.3Å; F664-Q666 PolarHBondContact O-N 3.24Å; F664-C667 PolarHBondContact O-N 3.01Å; F664-L668 HydrophobicContact CD1-CD1 4.43Å; F664-L668 HydrophobicContact CD2-CD1 4.25Å; F664-L668 HydrophobicContact CD2-CG 4.28Å; F664-L668 HydrophobicContact CE1-CD1 4.05Å; F664-L668 HydrophobicContact CE2-CD1 3.86Å; F664-L668 HydrophobicContact CE2-CD2 4Å; F664-L668 HydrophobicContact CE2-CG 4.01Å; F664-L668 HydrophobicContact CZ-CD1 3.72Å; F664-L668 HydrophobicContact CZ-CD2 4.4Å; F664-L668 HydrophobicContact CZ-CG 4.36Å; F664-L668 WeakPolarHBondContact O-CG 3.47Å; F664-L668 PolarHBondContact O-N 3.1Å; F664-A707 HydrophobicContact CE1-CB 3.99Å; F664-A707 HydrophobicContact CZ-CB 3.93Å; F664-F710 AromaticContact CD1-CD1 3.53Å; F664-F710 HydrophobicContact CD1-CD1 3.53Å; F664-F710 AromaticContact CD1-CE1 3.75Å; F664-F710 HydrophobicContact CD1-CE1 3.75Å; F664-F710 AromaticContact CE1-CD1 3.67Å; F664-F710 HydrophobicContact CE1-CD1 3.67Å; F664-F710 HydrophobicContact CE1-CE1 4.21Å; F664-F710 HydrophobicContact CG-CE1 4.46Å; F664-I711 HydrophobicContact CD1-CD1 3.73Å; F664-I711 HydrophobicContact CD1-CG1 3.4Å; F664-I711 HydrophobicContact CE1-CD1 3.97Å; F664-I711 HydrophobicContact CE1-CG1 3.85Å; F664-I711 HydrophobicContact CG-CD1 4.48Å; F664-I711 HydrophobicContact CG-CG1 4.37Å; F664-Y733 AromaticContact CE1-CE1 3.76Å; F664-Y733 HydrophobicContact CE1-CE1 3.76Å; F664-Y733 AromaticContact CZ-CE1 3.59Å; F664-Y733 HydrophobicContact CZ-CE1 3.59Å; F664-Y733 AromaticContact CZ-CZ 3.82Å; F664-Y733 WeakPolarHBondContact CZ-OH 3.46Å
665	F	98.8	Very high	98.2	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.009	7%	0.065	C	C	.	.	H	α-helix	trans	-56.7	-44.7	173	-176.1	-78.8	0	0	0	111.6	G661 V662 C667 L668 Y669 R671 P673 V695 Q696 F697 I711	G661-F665 WeakPolarHBondContact O-CB 3.39Å; G661-F665 PolarHBondContact O-N 3.06Å; V662-F665 PolarHBondContact O-N 3.12Å; F665-C667 VanDerWaalsContact C-N 3.35Å; F665-C667 PolarHBondContact O-N 3.03Å; F665-L668 PolarHBondContact O-N 2.94Å; F665-Y669 AromaticContact CD1-CD2 4Å; F665-Y669 HydrophobicContact CD1-CD2 4Å; F665-Y669 AromaticContact CD2-CD2 3.74Å; F665-Y669 HydrophobicContact CD2-CD2 3.74Å; F665-Y669 AromaticContact CD2-CE2 3.88Å; F665-Y669 HydrophobicContact CD2-CE2 3.88Å; F665-Y669 AromaticContact CE1-CD2 3.96Å; F665-Y669 HydrophobicContact CE1-CD2 3.96Å; F665-Y669 HydrophobicContact CE1-CG 4.32Å; F665-Y669 AromaticContact CE2-CD2 3.7Å; F665-Y669 HydrophobicContact CE2-CD2 3.7Å; F665-Y669 AromaticContact CE2-CE2 3.86Å; F665-Y669 HydrophobicContact CE2-CE2 3.86Å; F665-Y669 AromaticContact CG-CD2 3.9Å; F665-Y669 HydrophobicContact CG-CD2 3.9Å; F665-Y669 HydrophobicContact CG-CE2 4.42Å; F665-Y669 AromaticContact CZ-CD2 3.81Å; F665-Y669 HydrophobicContact CZ-CD2 3.81Å; F665-Y669 HydrophobicContact CZ-CE2 4.38Å; F665-Y669 HydrophobicContact CZ-CG 4.26Å; F665-Y669 WeakPolarHBondContact O-CD2 3.4Å; F665-Y669 PolarHBondContact O-N 3.14Å; F665-R671 VanDerWaalsContact CD1-O 3.23Å; F665-R671 WeakPolarHBondContact CD1-O 3.46Å; F665-R671 HydrophobicContact CE1-CG 4.23Å; F665-R671 WeakPolarHBondContact CE1-O 3.34Å; F665-P673 HydrophobicContact CB-CG 4.45Å; F665-P673 HydrophobicContact CD1-CB 3.76Å; F665-P673 HydrophobicContact CD1-CG 4.08Å; F665-P673 HydrophobicContact CD2-CB 4.14Å; F665-P673 VanDerWaalsContact CE1-CA 3.49Å; F665-P673 HydrophobicContact CE1-CB 3.82Å; F665-P673 HydrophobicContact CE2-CB 4.19Å; F665-P673 HydrophobicContact CG-CB 3.93Å; F665-P673 HydrophobicContact CG-CG 4.22Å; F665-P673 HydrophobicContact CZ-CB 4.04Å; F665-V695 HydrophobicContact CD2-CG2 3.91Å; F665-V695 HydrophobicContact CE2-CG2 3.77Å; F665-Q696 WeakPolarHBondContact CE2-O 3.5Å; F665-F697 HydrophobicContact CD2-CD1 4.12Å; F665-F697 AromaticContact CD2-CE1 3.95Å; F665-F697 HydrophobicContact CD2-CE1 3.95Å; F665-F697 AromaticContact CE2-CD1 3.81Å; F665-F697 HydrophobicContact CE2-CD1 3.81Å; F665-F697 HydrophobicContact CE2-CE1 4.07Å; F665-I711 HydrophobicContact CB-CD1 4.25Å; F665-I711 HydrophobicContact CB-CG2 4.48Å; F665-I711 HydrophobicContact CD2-CD1 4.4Å; F665-I711 HydrophobicContact CD2-CG2 4.31Å
666	Q	98.5	Very high	98.1	Very high	18 Å²	18	15.7 Å²	15.7	8%	0.084	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-37.3	179.2	-172.6	-177.9	-18.1	0	0	112.7	L550 Y636 V662 I663 F664 L668 G670 R671 K672	L550-Q666 HydrophobicContact CD1-CG 4.14Å; Y636-Q666 PolarHBondContact OH-OE1 3.29Å; V662-Q666 WeakPolarHBondContact O-CB 3.22Å; V662-Q666 PolarHBondContact O-N 3.41Å; I663-Q666 PolarHBondContact O-N 2.93Å; F664-Q666 VanDerWaalsContact C-N 3.3Å; F664-Q666 PolarHBondContact O-N 3.24Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.19Å; Q666-G670 VanDerWaalsContact O-CA 3.27Å; Q666-G670 WeakPolarHBondContact O-CA 3.4Å; Q666-G670 PolarHBondContact O-N 2.91Å; Q666-R671 WeakPolarHBondContact CA-O 3.26Å; Q666-K672 HydrophobicContact CG-CG 4.41Å
667	C	98.4	Very high	98	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-39.3	175.3	-66.9	0	0	0	0	112.3	L555 M556 A561 I663 F664 F665	L555-C667 WeakPolarHBondContact CA-O 3.4Å; M556-C667 HydrophobicContact CE-CB 4.29Å; M556-C667 HydrophobicContact CG-CB 3.94Å; M556-C667 PolarHBondContact N-O 3.49Å; M556-C667 HydrophobicContact SD-CB 4.03Å; A561-C667 HydrophobicContact CB-CB 3.7Å; I663-C667 PolarHBondContact O-N 3.13Å; I663-C667 PolarHBondContact O-SG 3.44Å; F664-C667 PolarHBondContact O-N 3.01Å; F665-C667 VanDerWaalsContact C-N 3.35Å; F665-C667 PolarHBondContact O-N 3.03Å
668	L	98.3	Very high	97.9	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-78.4	-43.1	-177.4	-61.5	174	0	0	0	113.4	E558 A561 F664 F665 Q666 P701 V703 I711	E558-L668 HydrophobicContact CB-CD2 3.98Å; E558-L668 HydrophobicContact CG-CD2 4.16Å; A561-L668 HydrophobicContact CB-CD2 3.73Å; A561-L668 HydrophobicContact CB-CG 4.32Å; F664-L668 HydrophobicContact CD1-CD1 4.43Å; F664-L668 HydrophobicContact CD2-CD1 4.25Å; F664-L668 HydrophobicContact CD2-CG 4.28Å; F664-L668 HydrophobicContact CE1-CD1 4.05Å; F664-L668 HydrophobicContact CE2-CD1 3.86Å; F664-L668 HydrophobicContact CE2-CD2 4Å; F664-L668 HydrophobicContact CE2-CG 4.01Å; F664-L668 HydrophobicContact CZ-CD1 3.72Å; F664-L668 HydrophobicContact CZ-CD2 4.4Å; F664-L668 HydrophobicContact CZ-CG 4.36Å; F664-L668 WeakPolarHBondContact O-CG 3.47Å; F664-L668 PolarHBondContact O-N 3.1Å; F665-L668 PolarHBondContact O-N 2.94Å; Q666-L668 VanDerWaalsContact C-N 3.33Å; Q666-L668 PolarHBondContact O-N 3.19Å; L668-P701 WeakPolarHBondContact O-CG 3.24Å; L668-V703 HydrophobicContact CB-CG2 4.17Å; L668-V703 HydrophobicContact CD1-CG1 3.81Å; L668-V703 HydrophobicContact CD1-CG2 4.21Å; L668-V703 HydrophobicContact CD2-CG2 4.46Å; L668-I711 HydrophobicContact CD1-CD1 3.84Å
669	Y	97.8	Very high	97.8	Very high	16 Å²	16	26.8 Å²	26.8	6%	0.063	14%	0.141	C	C	.	.	H	α-helix	trans	-105.5	-5.6	-170.9	-61.5	-77.5	0	0	0	113.9	F665 R671 F697 P698 P701 V703 K708	F665-Y669 AromaticContact CD1-CD2 4Å; F665-Y669 HydrophobicContact CD1-CD2 4Å; F665-Y669 AromaticContact CD2-CD2 3.74Å; F665-Y669 HydrophobicContact CD2-CD2 3.74Å; F665-Y669 AromaticContact CD2-CE2 3.88Å; F665-Y669 HydrophobicContact CD2-CE2 3.88Å; F665-Y669 AromaticContact CE1-CD2 3.96Å; F665-Y669 HydrophobicContact CE1-CD2 3.96Å; F665-Y669 HydrophobicContact CE1-CG 4.32Å; F665-Y669 AromaticContact CE2-CD2 3.7Å; F665-Y669 HydrophobicContact CE2-CD2 3.7Å; F665-Y669 AromaticContact CE2-CE2 3.86Å; F665-Y669 HydrophobicContact CE2-CE2 3.86Å; F665-Y669 AromaticContact CG-CD2 3.9Å; F665-Y669 HydrophobicContact CG-CD2 3.9Å; F665-Y669 HydrophobicContact CG-CE2 4.42Å; F665-Y669 AromaticContact CZ-CD2 3.81Å; F665-Y669 HydrophobicContact CZ-CD2 3.81Å; F665-Y669 HydrophobicContact CZ-CE2 4.38Å; F665-Y669 HydrophobicContact CZ-CG 4.26Å; F665-Y669 WeakPolarHBondContact O-CD2 3.4Å; F665-Y669 PolarHBondContact O-N 3.14Å; Y669-R671 PolarHBondContact O-N 3.07Å; Y669-R671 VanDerWaalsContact O-N 3.11Å; Y669-F697 AromaticContact CE2-CD1 3.83Å; Y669-F697 HydrophobicContact CE2-CD1 3.83Å; Y669-F697 HydrophobicContact CE2-CE1 4.45Å; Y669-F697 AromaticContact CZ-CD1 3.91Å; Y669-F697 WeakPolarHBondContact OH-CD1 3.49Å; Y669-P698 HydrophobicContact CD1-CB 3.88Å; Y669-P698 HydrophobicContact CD1-CG 3.71Å; Y669-P698 HydrophobicContact CE1-CB 4.11Å; Y669-P698 HydrophobicContact CE1-CG 4.18Å; Y669-P698 HydrophobicContact CG-CG 4.2Å; Y669-P701 HydrophobicContact CD1-CG 4.42Å; Y669-V703 HydrophobicContact CE1-CG2 4.09Å; Y669-V703 HydrophobicContact CE2-CG2 4.42Å; Y669-V703 WeakPolarHBondContact OH-CB 3.45Å; Y669-K708 VanDerWaalsContact OH-CE 3.3Å; Y669-K708 WeakPolarHBondContact OH-CE 3.42Å
670	G	96.1	Very high	97.6	Very high	25 Å²	25	29.4 Å²	29.4	26%	0.258	15%	0.153	S	C	.	.	S	Bend	trans	66.4	7.3	-176.9	0	0	0	0	0	114.9	K554 Q666	K554-G670 WeakPolarHBondContact O-CA 3.37Å; Q666-G670 VanDerWaalsContact O-CA 3.27Å; Q666-G670 WeakPolarHBondContact O-CA 3.4Å; Q666-G670 PolarHBondContact O-N 2.91Å
671	R	96.3	Very high	97.4	Very high	117 Å²	117	33 Å²	33	44%	0.442	17%	0.169	S	C	.	.	S	Bend	trans	-136.6	155.6	-179.4	60.2	174.9	-71.6	179.3	-2.2	110.8	F665 Q666 Y669 H676	F665-R671 VanDerWaalsContact CD1-O 3.23Å; F665-R671 WeakPolarHBondContact CD1-O 3.46Å; F665-R671 HydrophobicContact CE1-CG 4.23Å; F665-R671 WeakPolarHBondContact CE1-O 3.34Å; Q666-R671 WeakPolarHBondContact CA-O 3.26Å; Y669-R671 PolarHBondContact O-N 3.07Å; Y669-R671 VanDerWaalsContact O-N 3.11Å; R671-H676 VanDerWaalsContact CA-CE1 3.45Å; R671-H676 WeakPolarHBondContact CA-CE1 3.36Å; R671-H676 WeakPolarHBondContact CB-NE2 3.46Å
672	K	97.9	Very high	97.3	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.13	18%	0.183	C	C	.	.			trans	-79.7	144	177.2	-53.8	-177	-63.4	-81.8	0	108.4	W635 Q666 F674 H676	W635-K672 HydrophobicContact CB-CD 3.86Å; W635-K672 HydrophobicContact CD2-CD 4.19Å; W635-K672 VanDerWaalsContact CE2-CE 3.46Å; W635-K672 HydrophobicContact CG-CD 3.69Å; Q666-K672 HydrophobicContact CG-CG 4.41Å; K672-F674 VanDerWaalsContact C-N 3.32Å; K672-F674 PolarHBondContact O-N 3.1Å; K672-H676 HydrophobicContact CB-CB 4.39Å; K672-H676 PolarHBondContact N-ND1 3.35Å; K672-H676 VanDerWaalsContact N-ND1 3.17Å; K672-H676 PolarHBondContact NZ-O 2.89Å
673	P	98.2	Very high	97.2	Very high	21 Å²	21	35.5 Å²	35.5	14%	0.136	18%	0.183	C	C	.	.	S	Bend	trans	-66.2	-37.8	-177	25.1	-30.9	0	0	0	111.4	V662 F665 V695 L715	V662-P673 HydrophobicContact CG1-CG 4.29Å; V662-P673 HydrophobicContact CG2-CG 4.15Å; F665-P673 HydrophobicContact CB-CG 4.45Å; F665-P673 HydrophobicContact CD1-CB 3.76Å; F665-P673 HydrophobicContact CD1-CG 4.08Å; F665-P673 HydrophobicContact CD2-CB 4.14Å; F665-P673 VanDerWaalsContact CE1-CA 3.49Å; F665-P673 HydrophobicContact CE1-CB 3.82Å; F665-P673 HydrophobicContact CE2-CB 4.19Å; F665-P673 HydrophobicContact CG-CB 3.93Å; F665-P673 HydrophobicContact CG-CG 4.22Å; F665-P673 HydrophobicContact CZ-CB 4.04Å; P673-V695 HydrophobicContact CB-CG2 4.01Å; P673-L715 HydrophobicContact CB-CD1 4.43Å; P673-L715 HydrophobicContact CG-CD1 4.19Å
674	F	98.4	Very high	96.9	Very high	20 Å²	20	39.1 Å²	39.1	9%	0.088	20%	0.202	C	C	.	.	S	Bend	trans	-121.1	146.4	-179.4	-43.9	-61.1	0	0	0	110.1	W658 K672 H676 I689 A692 V695 L715	W658-F674 HydrophobicContact CH2-CD2 4.32Å; W658-F674 AromaticContact CH2-CE2 3.62Å; W658-F674 HydrophobicContact CH2-CE2 3.62Å; W658-F674 HydrophobicContact CH2-CZ 4.24Å; W658-F674 AromaticContact CZ2-CD2 3.76Å; W658-F674 HydrophobicContact CZ2-CD2 3.76Å; W658-F674 AromaticContact CZ2-CE2 3.44Å; W658-F674 HydrophobicContact CZ2-CE2 3.44Å; W658-F674 VanDerWaalsContact CZ2-CE2 3.44Å; W658-F674 HydrophobicContact CZ2-CZ 4.46Å; K672-F674 VanDerWaalsContact C-N 3.32Å; K672-F674 PolarHBondContact O-N 3.1Å; F674-H676 VanDerWaalsContact C-N 3.26Å; F674-H676 PolarHBondContact O-N 3.41Å; F674-H676 VanDerWaalsContact O-N 3.09Å; F674-I689 HydrophobicContact CB-CD1 3.89Å; F674-A692 HydrophobicContact CD1-CB 3.61Å; F674-A692 HydrophobicContact CD2-CB 3.86Å; F674-A692 HydrophobicContact CE1-CB 3.67Å; F674-A692 HydrophobicContact CE2-CB 3.92Å; F674-A692 HydrophobicContact CG-CB 3.71Å; F674-A692 HydrophobicContact CZ-CB 3.82Å; F674-V695 HydrophobicContact CE1-CB 4.46Å; F674-V695 HydrophobicContact CZ-CB 4.04Å; F674-V695 HydrophobicContact CZ-CG2 4.49Å; F674-L715 HydrophobicContact CE2-CD1 4.15Å; F674-L715 HydrophobicContact CZ-CD1 4.4Å
675	G	97.2	Very high	96.8	Very high	12 Å²	12	45.5 Å²	45.5	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	54.3	29.6	174	0	0	0	0	0	116.4	W635 N677 Q678	W635-G675 PolarHBondContact NE1-O 2.84Å; G675-N677 VanDerWaalsContact C-N 3.29Å; G675-N677 PolarHBondContact O-N 3.37Å; G675-N677 VanDerWaalsContact O-N 3.12Å; G675-Q678 VanDerWaalsContact CA-OE1 3.24Å; G675-Q678 PolarHBondContact O-N 3.23Å; G675-Q678 VanDerWaalsContact O-N 3.07Å
676	H	95.7	Very high	96.7	Very high	63 Å²	63	50 Å²	50	29%	0.292	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-43.9	-167.7	-179.2	45.3	0	0	0	114.8	R671 K672 F674	R671-H676 VanDerWaalsContact CA-CE1 3.45Å; R671-H676 WeakPolarHBondContact CA-CE1 3.36Å; R671-H676 WeakPolarHBondContact CB-NE2 3.46Å; K672-H676 HydrophobicContact CB-CB 4.39Å; K672-H676 PolarHBondContact N-ND1 3.35Å; K672-H676 VanDerWaalsContact N-ND1 3.17Å; K672-H676 PolarHBondContact NZ-O 2.89Å; F674-H676 VanDerWaalsContact C-N 3.26Å; F674-H676 PolarHBondContact O-N 3.41Å; F674-H676 VanDerWaalsContact O-N 3.09Å
677	N	95.4	Very high	96.6	Very high	150 Å²	150	53 Å²	53	80%	0.802	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	5.9	-177.2	-62.3	-9.2	0	0	0	113.2	G675	G675-N677 VanDerWaalsContact C-N 3.29Å; G675-N677 PolarHBondContact O-N 3.37Å; G675-N677 VanDerWaalsContact O-N 3.12Å
678	Q	96.9	Very high	96.5	Very high	38 Å²	38	54 Å²	54	18%	0.178	28%	0.275	C	S	.	.			trans	-88.5	149.1	177.2	-80.7	172.6	-20.5	0	0	110.3	W635 G675 D682 I683 E686 T688	W635-Q678 WeakPolarHBondContact CZ2-O 3.41Å; G675-Q678 VanDerWaalsContact CA-OE1 3.24Å; G675-Q678 PolarHBondContact O-N 3.23Å; G675-Q678 VanDerWaalsContact O-N 3.07Å; Q678-D682 HydrophobicContact CB-CB 3.96Å; Q678-D682 HydrophobicContact CG-CB 3.97Å; Q678-I683 HydrophobicContact CB-CG1 4.01Å; Q678-E686 PolarHBondContact NE2-OE1 3.29Å; Q678-E686 PolarHBondContact NE2-OE2 2.96Å; Q678-T688 PolarHBondContact NE2-OG1 3.42Å; Q678-T688 VanDerWaalsContact OE1-CG2 3.3Å; Q678-T688 PolarHBondContact OE1-OG1 2.9Å
679	S	96.1	Very high	96.5	Very high	46 Å²	46	53.9 Å²	53.9	32%	0.322	28%	0.275	S	S	.	.			trans	-74.7	170.3	164.6	76.8	0	0	0	0	111.4	Q681 D682 I683	S679-Q681 PolarHBondContact O-N 2.74Å; S679-Q681 PolarHBondContact OG-N 3.24Å; S679-D682 WeakPolarHBondContact CA-OD2 3.24Å; S679-D682 WeakPolarHBondContact CB-OD2 3.48Å; S679-D682 PolarHBondContact N-OD2 3.49Å; S679-D682 PolarHBondContact O-N 3.09Å; S679-D682 PolarHBondContact OG-N 3.29Å; S679-D682 PolarHBondContact OG-OD1 2.64Å; S679-D682 PolarHBondContact OG-OD2 2.89Å; S679-I683 WeakPolarHBondContact O-CG1 3.42Å; S679-I683 PolarHBondContact O-N 3.26Å; S679-I683 VanDerWaalsContact O-N 3.08Å
680	Q	95.1	Very high	96.5	Very high	56 Å²	56	55.1 Å²	55.1	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-30	172.2	-65.2	-148.1	137.8	0	0	112.6	Y634 W635 L684	Y634-Q680 HydrophobicContact CD2-CB 3.56Å; Y634-Q680 HydrophobicContact CD2-CG 4.03Å; Y634-Q680 VanDerWaalsContact CD2-O 3.32Å; Y634-Q680 WeakPolarHBondContact CD2-O 3.47Å; Y634-Q680 HydrophobicContact CE2-CB 3.76Å; Y634-Q680 WeakPolarHBondContact CE2-O 3.35Å; Y634-Q680 HydrophobicContact CG-CB 4.36Å; Y634-Q680 HydrophobicContact CG-CG 4.35Å; W635-Q680 HydrophobicContact CE3-CG 4.5Å; W635-Q680 HydrophobicContact CH2-CG 3.88Å; W635-Q680 HydrophobicContact CZ3-CG 3.79Å; Q680-L684 PolarHBondContact O-N 2.77Å
681	Q	94.5	Very high	96.5	Very high	75 Å²	75	60.6 Å²	60.6	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-69.9	-44.2	176.6	-176.1	-179.9	-34.9	0	0	110.7	S679 I683 L684 Q685	S679-Q681 PolarHBondContact O-N 2.74Å; S679-Q681 PolarHBondContact OG-N 3.24Å; Q681-I683 VanDerWaalsContact C-N 3.32Å; Q681-I683 PolarHBondContact O-N 3.27Å; Q681-L684 PolarHBondContact O-N 3.02Å; Q681-Q685 HydrophobicContact CG-CG 4.44Å; Q681-Q685 WeakPolarHBondContact O-CG 3.32Å; Q681-Q685 PolarHBondContact O-N 3.2Å
682	D	97.4	Very high	96.5	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-38.9	179.2	-46	-40.7	0	0	0	110.8	Q678 S679 L684 Q685 E686	Q678-D682 HydrophobicContact CB-CB 3.96Å; Q678-D682 HydrophobicContact CG-CB 3.97Å; S679-D682 WeakPolarHBondContact CA-OD2 3.24Å; S679-D682 WeakPolarHBondContact CB-OD2 3.48Å; S679-D682 PolarHBondContact N-OD2 3.49Å; S679-D682 PolarHBondContact O-N 3.09Å; S679-D682 PolarHBondContact OG-N 3.29Å; S679-D682 PolarHBondContact OG-OD1 2.64Å; S679-D682 PolarHBondContact OG-OD2 2.89Å; D682-L684 VanDerWaalsContact C-N 3.3Å; D682-L684 PolarHBondContact O-N 3.34Å; D682-Q685 PolarHBondContact O-N 3.45Å; D682-E686 VanDerWaalsContact O-CB 3.3Å; D682-E686 WeakPolarHBondContact O-CB 3.38Å; D682-E686 PolarHBondContact O-N 2.97Å
683	I	95.9	Very high	96.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-41.2	175.1	-75.4	171	0	0	0	112.4	Y634 W635 F642 Q678 S679 Q681 N687 T688 I689	Y634-I683 HydrophobicContact CD2-CG2 4.34Å; W635-I683 VanDerWaalsContact CD1-CD1 3.45Å; W635-I683 HydrophobicContact CD2-CD1 4.09Å; W635-I683 HydrophobicContact CG-CD1 3.95Å; F642-I683 HydrophobicContact CE1-CG2 4.34Å; Q678-I683 HydrophobicContact CB-CG1 4.01Å; S679-I683 WeakPolarHBondContact O-CG1 3.42Å; S679-I683 PolarHBondContact O-N 3.26Å; S679-I683 VanDerWaalsContact O-N 3.08Å; Q681-I683 VanDerWaalsContact C-N 3.32Å; Q681-I683 PolarHBondContact O-N 3.27Å; I683-N687 WeakPolarHBondContact O-CA 3.45Å; I683-N687 PolarHBondContact O-N 2.92Å; I683-N687 VanDerWaalsContact O-N 3.14Å; I683-T688 PolarHBondContact O-N 3.29Å; I683-I689 HydrophobicContact CG2-CD1 4.42Å; I683-I689 HydrophobicContact CG2-CG1 3.81Å
684	L	94.1	Very high	96.4	Very high	76 Å²	76	64 Å²	64	40%	0.398	33%	0.326	S	S	.	.	H	α-helix	trans	-69.9	-50.2	175.5	-70.4	176.1	0	0	0	111.3	Y634 F642 Q680 Q681 D682 E686 N687	Y634-L684 HydrophobicContact CD2-CD2 4.36Å; Y634-L684 HydrophobicContact CD2-CG 4.06Å; Y634-L684 HydrophobicContact CE2-CD1 3.51Å; Y634-L684 HydrophobicContact CE2-CD2 3.9Å; Y634-L684 HydrophobicContact CE2-CG 3.5Å; F642-L684 HydrophobicContact CD1-CD2 3.87Å; F642-L684 HydrophobicContact CE1-CD2 4.06Å; Q680-L684 PolarHBondContact O-N 2.77Å; Q681-L684 PolarHBondContact O-N 3.02Å; D682-L684 VanDerWaalsContact C-N 3.3Å; D682-L684 PolarHBondContact O-N 3.34Å; L684-E686 PolarHBondContact O-N 3.33Å; L684-N687 PolarHBondContact O-N 2.79Å
685	Q	95.3	Very high	96.3	Very high	134 Å²	134	63.4 Å²	63.4	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-63.6	-41.4	-176.2	-71.2	-173.9	-13.8	0	0	112.4	Q681 D682 N687	Q681-Q685 HydrophobicContact CG-CG 4.44Å; Q681-Q685 WeakPolarHBondContact O-CG 3.32Å; Q681-Q685 PolarHBondContact O-N 3.2Å; D682-Q685 PolarHBondContact O-N 3.45Å; Q685-N687 VanDerWaalsContact C-N 3.33Å
686	E	96.8	Very high	96.3	Very high	96 Å²	96	70.5 Å²	70.5	45%	0.449	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.9	178.2	-65.6	-172.8	-129.4	0	0	113.3	Q678 D682 L684 T688 K691	Q678-E686 PolarHBondContact NE2-OE1 3.29Å; Q678-E686 PolarHBondContact NE2-OE2 2.96Å; D682-E686 VanDerWaalsContact O-CB 3.3Å; D682-E686 WeakPolarHBondContact O-CB 3.38Å; D682-E686 PolarHBondContact O-N 2.97Å; L684-E686 PolarHBondContact O-N 3.33Å; E686-T688 PolarHBondContact O-N 2.92Å; E686-K691 VanDerWaalsContact O-CE 3.26Å; E686-K691 WeakPolarHBondContact O-CE 3.36Å; E686-K691 PolarHBondContact O-NZ 2.7Å
687	N	96.2	Very high	96.5	Very high	80 Å²	80	69.4 Å²	69.4	43%	0.428	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	39.4	-173	-68.2	-72.9	0	0	0	112.7	I683 L684 Q685 I689 L690 K691	I683-N687 WeakPolarHBondContact O-CA 3.45Å; I683-N687 PolarHBondContact O-N 2.92Å; I683-N687 VanDerWaalsContact O-N 3.14Å; L684-N687 PolarHBondContact O-N 2.79Å; Q685-N687 VanDerWaalsContact C-N 3.33Å; N687-I689 VanDerWaalsContact C-N 3.34Å; N687-I689 PolarHBondContact O-N 2.96Å; N687-L690 HydrophobicContact CB-CB 4.28Å; N687-L690 HydrophobicContact CB-CD1 4.27Å; N687-L690 PolarHBondContact O-N 2.97Å; N687-L690 VanDerWaalsContact O-N 3.15Å; N687-K691 WeakPolarHBondContact O-CG 3.26Å; N687-K691 PolarHBondContact O-N 2.88Å; N687-K691 VanDerWaalsContact O-N 3.14Å
688	T	97.5	Very high	96.5	Very high	22 Å²	22	64.1 Å²	64.1	14%	0.135	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-41.9	-168.9	-57.3	0	0	0	0	113.1	Q678 I683 E686 K691 A692	Q678-T688 PolarHBondContact NE2-OG1 3.42Å; Q678-T688 VanDerWaalsContact OE1-CG2 3.3Å; Q678-T688 PolarHBondContact OE1-OG1 2.9Å; I683-T688 PolarHBondContact O-N 3.29Å; E686-T688 PolarHBondContact O-N 2.92Å; T688-K691 PolarHBondContact O-N 3.4Å; T688-A692 PolarHBondContact O-N 3.17Å
689	I	97.6	Very high	96.5	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-33.8	-179.1	-49.7	-55.1	0	0	0	111.6	L637 P639 F642 W658 F674 I683 N687 K691 A692	L637-I689 WeakPolarHBondContact O-CG2 3.39Å; P639-I689 HydrophobicContact CG-CG2 4.16Å; F642-I689 HydrophobicContact CD2-CB 3.78Å; F642-I689 HydrophobicContact CD2-CG1 4.31Å; F642-I689 HydrophobicContact CD2-CG2 3.87Å; F642-I689 HydrophobicContact CE2-CB 3.67Å; F642-I689 HydrophobicContact CE2-CG1 3.73Å; F642-I689 HydrophobicContact CE2-CG2 3.7Å; F642-I689 HydrophobicContact CG-CB 4.46Å; F642-I689 HydrophobicContact CZ-CB 4.26Å; F642-I689 HydrophobicContact CZ-CG1 3.87Å; W658-I689 HydrophobicContact CZ2-CG2 4.17Å; F674-I689 HydrophobicContact CB-CD1 3.89Å; I683-I689 HydrophobicContact CG2-CD1 4.42Å; I683-I689 HydrophobicContact CG2-CG1 3.81Å; N687-I689 VanDerWaalsContact C-N 3.34Å; N687-I689 PolarHBondContact O-N 2.96Å; I689-K691 PolarHBondContact O-N 3.37Å; I689-A692 WeakPolarHBondContact O-CB 3.36Å; I689-A692 PolarHBondContact O-N 3.39Å
690	L	96.8	Very high	96.4	Very high	42 Å²	42	74.7 Å²	74.7	22%	0.22	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17	171.4	-67.3	174	0	0	0	112.8	P639 F642 V643 N687 Y717	P639-L690 HydrophobicContact CB-CD2 4.39Å; P639-L690 VanDerWaalsContact O-CD2 3.23Å; P639-L690 WeakPolarHBondContact O-CD2 3.37Å; F642-L690 HydrophobicContact CB-CD1 4.13Å; F642-L690 HydrophobicContact CB-CD2 3.97Å; F642-L690 HydrophobicContact CB-CG 3.8Å; V643-L690 HydrophobicContact CG2-CD2 3.95Å; N687-L690 HydrophobicContact CB-CB 4.28Å; N687-L690 HydrophobicContact CB-CD1 4.27Å; N687-L690 PolarHBondContact O-N 2.97Å; N687-L690 VanDerWaalsContact O-N 3.15Å; L690-Y717 WeakPolarHBondContact O-CE2 3.36Å; L690-Y717 PolarHBondContact O-OH 2.88Å
691	K	97.4	Very high	96.4	Very high	140 Å²	140	74.2 Å²	74.2	61%	0.609	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	0	173.2	-66.3	168.1	178.3	170.3	0	113.3	E686 N687 T688 I689 T693	E686-K691 VanDerWaalsContact O-CE 3.26Å; E686-K691 WeakPolarHBondContact O-CE 3.36Å; E686-K691 PolarHBondContact O-NZ 2.7Å; N687-K691 WeakPolarHBondContact O-CG 3.26Å; N687-K691 PolarHBondContact O-N 2.88Å; N687-K691 VanDerWaalsContact O-N 3.14Å; T688-K691 PolarHBondContact O-N 3.4Å; I689-K691 PolarHBondContact O-N 3.37Å; K691-T693 PolarHBondContact O-N 3Å
692	A	96.3	Very high	96.6	Very high	4 Å²	4	77 Å²	77	3%	0.033	40%	0.396	C	S	.	.			trans	-79.9	52.5	-175.4	0	0	0	0	0	112.9	W658 F674 T688 I689 Y717	W658-A692 HydrophobicContact CH2-CB 4.18Å; W658-A692 HydrophobicContact CZ2-CB 4.43Å; F674-A692 HydrophobicContact CD1-CB 3.61Å; F674-A692 HydrophobicContact CD2-CB 3.86Å; F674-A692 HydrophobicContact CE1-CB 3.67Å; F674-A692 HydrophobicContact CE2-CB 3.92Å; F674-A692 HydrophobicContact CG-CB 3.71Å; F674-A692 HydrophobicContact CZ-CB 3.82Å; T688-A692 PolarHBondContact O-N 3.17Å; I689-A692 WeakPolarHBondContact O-CB 3.36Å; I689-A692 PolarHBondContact O-N 3.39Å; A692-Y717 WeakPolarHBondContact O-CD2 3.33Å
693	T	96.8	Very high	96.6	Very high	99 Å²	99	74.9 Å²	74.9	61%	0.607	39%	0.385	S	S	*	.			trans	-72	-27.1	-174.2	52.7	0	0	0	0	114	K691 Y717	K691-T693 PolarHBondContact O-N 3Å; T693-Y717 HydrophobicContact CG2-CD1 4.37Å; T693-Y717 HydrophobicContact CG2-CD2 4.02Å; T693-Y717 HydrophobicContact CG2-CE1 4.41Å; T693-Y717 HydrophobicContact CG2-CE2 4.05Å; T693-Y717 HydrophobicContact CG2-CG 4.19Å
694	E	95.9	Very high	96.6	Very high	136 Å²	136	76.4 Å²	76.4	64%	0.636	40%	0.396	S	S	*	.	S	Bend	trans	-139.9	141.1	174.9	-174.4	176.9	-160.2	0	0	111.3
695	V	97.8	Very high	96.8	Very high	7 Å²	7	76.8 Å²	76.8	4%	0.042	41%	0.405	C	S	.	.			trans	-89.6	123.3	172.7	57.4	0	0	0	0	111.6	F665 P673 F674 F697 I711 R712 L715	F665-V695 HydrophobicContact CD2-CG2 3.91Å; F665-V695 HydrophobicContact CE2-CG2 3.77Å; P673-V695 HydrophobicContact CB-CG2 4.01Å; F674-V695 HydrophobicContact CE1-CB 4.46Å; F674-V695 HydrophobicContact CZ-CB 4.04Å; F674-V695 HydrophobicContact CZ-CG2 4.49Å; V695-F697 HydrophobicContact CG1-CE2 3.96Å; V695-F697 HydrophobicContact CG1-CZ 3.8Å; V695-F697 HydrophobicContact CG2-CE1 4.32Å; V695-F697 HydrophobicContact CG2-CZ 4.23Å; V695-I711 HydrophobicContact CG1-CG2 4.31Å; V695-I711 HydrophobicContact CG2-CG2 4.35Å; V695-R712 HydrophobicContact CG1-CG 3.96Å; V695-L715 HydrophobicContact CB-CD1 4.12Å; V695-L715 HydrophobicContact CG1-CB 4.47Å; V695-L715 HydrophobicContact CG1-CD1 4.41Å; V695-L715 HydrophobicContact CG2-CD1 3.98Å
696	Q	97.6	Very high	96.9	Very high	162 Å²	162	75.8 Å²	75.8	76%	0.757	40%	0.4	S	S	*	.			trans	-93.1	136.6	175.8	-63.6	-176.8	3.2	0	0	111.6	F665	F665-Q696 WeakPolarHBondContact CE2-O 3.5Å
697	F	98.1	Very high	97	Very high	39 Å²	39	71.2 Å²	71.2	17%	0.171	38%	0.379	C	S	.	.			trans	-107	121.6	-179.5	-62.7	-76.5	0	0	0	111.3	F665 Y669 V695 K708 I711 R712	F665-F697 HydrophobicContact CD2-CD1 4.12Å; F665-F697 AromaticContact CD2-CE1 3.95Å; F665-F697 HydrophobicContact CD2-CE1 3.95Å; F665-F697 AromaticContact CE2-CD1 3.81Å; F665-F697 HydrophobicContact CE2-CD1 3.81Å; F665-F697 HydrophobicContact CE2-CE1 4.07Å; Y669-F697 AromaticContact CE2-CD1 3.83Å; Y669-F697 HydrophobicContact CE2-CD1 3.83Å; Y669-F697 HydrophobicContact CE2-CE1 4.45Å; Y669-F697 AromaticContact CZ-CD1 3.91Å; Y669-F697 WeakPolarHBondContact OH-CD1 3.49Å; V695-F697 HydrophobicContact CG1-CE2 3.96Å; V695-F697 HydrophobicContact CG1-CZ 3.8Å; V695-F697 HydrophobicContact CG2-CE1 4.32Å; V695-F697 HydrophobicContact CG2-CZ 4.23Å; F697-K708 HydrophobicContact CB-CD 4.35Å; F697-K708 HydrophobicContact CD1-CD 4.44Å; F697-K708 HydrophobicContact CD1-CG 3.83Å; F697-K708 HydrophobicContact CD2-CB 4.34Å; F697-K708 HydrophobicContact CD2-CD 4.31Å; F697-K708 HydrophobicContact CD2-CG 4.15Å; F697-K708 HydrophobicContact CE1-CB 4.19Å; F697-K708 HydrophobicContact CE1-CG 3.91Å; F697-K708 HydrophobicContact CE2-CB 4.01Å; F697-K708 HydrophobicContact CE2-CG 4.25Å; F697-K708 HydrophobicContact CG-CD 4.11Å; F697-K708 HydrophobicContact CG-CG 3.93Å; F697-K708 HydrophobicContact CZ-CB 3.92Å; F697-K708 HydrophobicContact CZ-CG 4.12Å; F697-K708 WeakPolarHBondContact CZ-O 3.19Å; F697-I711 HydrophobicContact CE1-CB 4.02Å; F697-I711 HydrophobicContact CE1-CD1 3.9Å; F697-I711 HydrophobicContact CE1-CG2 3.83Å; F697-I711 HydrophobicContact CZ-CB 3.98Å; F697-I711 HydrophobicContact CZ-CG2 3.84Å; F697-R712 HydrophobicContact CE2-CG 4.15Å; F697-R712 HydrophobicContact CZ-CG 4.3Å
698	P	96.7	Very high	97.1	Very high	39 Å²	39	69.7 Å²	69.7	25%	0.253	37%	0.369	S	S	.	.			trans	-55.1	149.7	169.7	-26.6	34.9	0	0	0	113	Y669 K700	Y669-P698 HydrophobicContact CD1-CB 3.88Å; Y669-P698 HydrophobicContact CD1-CG 3.71Å; Y669-P698 HydrophobicContact CE1-CB 4.11Å; Y669-P698 HydrophobicContact CE1-CG 4.18Å; Y669-P698 HydrophobicContact CG-CG 4.2Å; P698-K700 VanDerWaalsContact C-N 3.27Å; P698-K700 WeakPolarHBondContact CB-O 3.49Å; P698-K700 PolarHBondContact O-N 3.43Å
699	V	95.5	Very high	97.2	Very high	131 Å²	131	70 Å²	70	79%	0.794	37%	0.374	S	S	*	.	S	Bend	trans	-68.7	-27.5	176.9	-178.1	0	0	0	0	112.1
700	K	95	Very high	97.2	Very high	175 Å²	175	70 Å²	70	76%	0.761	37%	0.374	S	S	*	.	S	Bend	trans	-131.4	143.3	177.4	-67.5	-174.4	179.6	-179.9	0	110.8	P698	P698-K700 VanDerWaalsContact C-N 3.27Å; P698-K700 WeakPolarHBondContact CB-O 3.49Å; P698-K700 PolarHBondContact O-N 3.43Å
701	P	96	Very high	97.3	Very high	47 Å²	47	68 Å²	68	31%	0.305	36%	0.363	S	S	.	.	S	Bend	cis	-62.8	161.3	-9.3	29	-36.6	0	0	0	112.4	L555 L668 Y669	L555-P701 HydrophobicContact CD2-CG 4.08Å; L668-P701 WeakPolarHBondContact O-CG 3.24Å; Y669-P701 HydrophobicContact CD1-CG 4.42Å
702	V	96.8	Very high	97.4	Very high	132 Å²	132	67 Å²	67	80%	0.8	36%	0.356	S	S	*	.			trans	-74.4	130.3	174.8	-178.5	0	0	0	0	108.4
703	V	97.5	Very high	97.5	Very high	10 Å²	10	70.1 Å²	70.1	6%	0.061	37%	0.367	C	S	.	.			trans	-133.5	141.3	-177.8	168.4	0	0	0	0	107.6	E558 L668 Y669 A707 K708	E558-V703 WeakPolarHBondContact OE2-CA 3.43Å; L668-V703 HydrophobicContact CB-CG2 4.17Å; L668-V703 HydrophobicContact CD1-CG1 3.81Å; L668-V703 HydrophobicContact CD1-CG2 4.21Å; L668-V703 HydrophobicContact CD2-CG2 4.46Å; Y669-V703 HydrophobicContact CE1-CG2 4.09Å; Y669-V703 HydrophobicContact CE2-CG2 4.42Å; Y669-V703 WeakPolarHBondContact OH-CB 3.45Å; V703-A707 HydrophobicContact CG1-CB 3.64Å; V703-K708 HydrophobicContact CG1-CG 4.15Å; V703-K708 VanDerWaalsContact O-CE 3.31Å; V703-K708 WeakPolarHBondContact O-CE 3.46Å; V703-K708 PolarHBondContact O-NZ 2.91Å
704	S	97.8	Very high	97.5	Very high	32 Å²	32	65.4 Å²	65.4	22%	0.224	34%	0.338	C	S	.	.			trans	-58.2	154.9	-176	68.9	0	0	0	0	113.5	E558 E706 A707 K708	E558-S704 VanDerWaalsContact OE1-CB 3.24Å; E558-S704 WeakPolarHBondContact OE1-CB 3.4Å; E558-S704 PolarHBondContact OE1-OG 3.4Å; E558-S704 PolarHBondContact OE2-N 3.43Å; E558-S704 PolarHBondContact OE2-OG 2.95Å; S704-E706 PolarHBondContact O-N 3.3Å; S704-A707 VanDerWaalsContact OG-CB 3.22Å; S704-A707 WeakPolarHBondContact OG-CB 3.37Å; S704-A707 PolarHBondContact OG-N 2.95Å; S704-K708 WeakPolarHBondContact O-CG 3.25Å; S704-K708 PolarHBondContact O-N 2.83Å; S704-K708 VanDerWaalsContact O-N 3.12Å
705	S	97.7	Very high	97.7	Very high	85 Å²	85	59.2 Å²	59.2	59%	0.594	31%	0.309	S	S	*	.	H	α-helix	trans	-57	-37	170.6	18.2	0	0	0	0	111.6	K708 A709	S705-K708 PolarHBondContact O-N 3.29Å; S705-A709 VanDerWaalsContact O-CB 3.3Å; S705-A709 WeakPolarHBondContact O-CB 3.44Å; S705-A709 PolarHBondContact O-N 3.49Å
706	E	97.6	Very high	97.7	Very high	112 Å²	112	59.8 Å²	59.8	52%	0.523	31%	0.314	S	S	.	.	H	α-helix	trans	-70.6	-47.1	-175.7	-65	85.3	155.1	0	0	110.9	S704 K708 A709 F710 Y733	S704-E706 PolarHBondContact O-N 3.3Å; E706-K708 PolarHBondContact O-N 2.94Å; E706-A709 PolarHBondContact O-N 3.01Å; E706-F710 WeakPolarHBondContact O-CB 3.47Å; E706-F710 PolarHBondContact O-N 2.9Å; E706-Y733 HydrophobicContact CB-CD2 3.86Å; E706-Y733 HydrophobicContact CB-CE2 4.29Å
707	A	98.3	Very high	97.7	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.6	-40.6	172.4	0	0	0	0	0	111.8	E558 F664 V703 S704 F710 I711 Y733	E558-A707 HydrophobicContact CG-CB 4.29Å; F664-A707 HydrophobicContact CE1-CB 3.99Å; F664-A707 HydrophobicContact CZ-CB 3.93Å; V703-A707 HydrophobicContact CG1-CB 3.64Å; S704-A707 VanDerWaalsContact OG-CB 3.22Å; S704-A707 WeakPolarHBondContact OG-CB 3.37Å; S704-A707 PolarHBondContact OG-N 2.95Å; A707-F710 PolarHBondContact O-N 3.4Å; A707-I711 VanDerWaalsContact O-CG1 3.31Å; A707-I711 WeakPolarHBondContact O-CG1 3.28Å; A707-I711 PolarHBondContact O-N 3.41Å; A707-Y733 HydrophobicContact CB-CE1 4.44Å; A707-Y733 HydrophobicContact CB-CE2 3.87Å
708	K	98.6	Very high	97.7	Very high	48 Å²	48	60.7 Å²	60.7	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-38.2	174.1	-70	171.7	-179.2	168.4	0	112.1	Y669 F697 V703 S704 S705 E706 R712	Y669-K708 VanDerWaalsContact OH-CE 3.3Å; Y669-K708 WeakPolarHBondContact OH-CE 3.42Å; F697-K708 HydrophobicContact CB-CD 4.35Å; F697-K708 HydrophobicContact CD1-CD 4.44Å; F697-K708 HydrophobicContact CD1-CG 3.83Å; F697-K708 HydrophobicContact CD2-CB 4.34Å; F697-K708 HydrophobicContact CD2-CD 4.31Å; F697-K708 HydrophobicContact CD2-CG 4.15Å; F697-K708 HydrophobicContact CE1-CB 4.19Å; F697-K708 HydrophobicContact CE1-CG 3.91Å; F697-K708 HydrophobicContact CE2-CB 4.01Å; F697-K708 HydrophobicContact CE2-CG 4.25Å; F697-K708 HydrophobicContact CG-CD 4.11Å; F697-K708 HydrophobicContact CG-CG 3.93Å; F697-K708 HydrophobicContact CZ-CB 3.92Å; F697-K708 HydrophobicContact CZ-CG 4.12Å; F697-K708 WeakPolarHBondContact CZ-O 3.19Å; V703-K708 HydrophobicContact CG1-CG 4.15Å; V703-K708 VanDerWaalsContact O-CE 3.31Å; V703-K708 WeakPolarHBondContact O-CE 3.46Å; V703-K708 PolarHBondContact O-NZ 2.91Å; S704-K708 WeakPolarHBondContact O-CG 3.25Å; S704-K708 PolarHBondContact O-N 2.83Å; S704-K708 VanDerWaalsContact O-N 3.12Å; S705-K708 PolarHBondContact O-N 3.29Å; E706-K708 PolarHBondContact O-N 2.94Å; K708-R712 WeakPolarHBondContact O-CG 3.38Å; K708-R712 PolarHBondContact O-N 3.16Å; K708-R712 VanDerWaalsContact O-N 3.08Å; K708-R712 PolarHBondContact O-NH1 3.4Å
709	A	98.3	Very high	97.7	Very high	30 Å²	30	61.6 Å²	61.6	25%	0.248	31%	0.31	C	S	.	.	H	α-helix	trans	-68.4	-41.1	176.2	0	0	0	0	0	111.8	S705 E706 R712 R713	S705-A709 VanDerWaalsContact O-CB 3.3Å; S705-A709 WeakPolarHBondContact O-CB 3.44Å; S705-A709 PolarHBondContact O-N 3.49Å; E706-A709 PolarHBondContact O-N 3.01Å; A709-R712 PolarHBondContact O-N 3.45Å; A709-R713 PolarHBondContact O-N 2.91Å; A709-R713 VanDerWaalsContact O-N 3.12Å; A709-R713 PolarHBondContact O-NH1 3.15Å
710	F	98.6	Very high	97.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-49.8	171.6	176.5	-92.3	0	0	0	111.4	V565 F664 E706 A707 R712 R713 C714 L728 D731 Y733 L734	V565-F710 HydrophobicContact CG1-CE1 3.89Å; V565-F710 HydrophobicContact CG1-CZ 3.7Å; F664-F710 AromaticContact CD1-CD1 3.53Å; F664-F710 HydrophobicContact CD1-CD1 3.53Å; F664-F710 AromaticContact CD1-CE1 3.75Å; F664-F710 HydrophobicContact CD1-CE1 3.75Å; F664-F710 AromaticContact CE1-CD1 3.67Å; F664-F710 HydrophobicContact CE1-CD1 3.67Å; F664-F710 HydrophobicContact CE1-CE1 4.21Å; F664-F710 HydrophobicContact CG-CE1 4.46Å; E706-F710 WeakPolarHBondContact O-CB 3.47Å; E706-F710 PolarHBondContact O-N 2.9Å; A707-F710 PolarHBondContact O-N 3.4Å; F710-R712 VanDerWaalsContact C-N 3.29Å; F710-R712 PolarHBondContact O-N 3.13Å; F710-R713 PolarHBondContact O-N 3.2Å; F710-C714 PolarHBondContact O-N 3.49Å; F710-C714 PolarHBondContact O-SG 2.87Å; F710-C714 VanDerWaalsContact O-SG 3.4Å; F710-L728 HydrophobicContact CD2-CD1 4.35Å; F710-L728 HydrophobicContact CE2-CD1 3.45Å; F710-L728 VanDerWaalsContact CE2-CD1 3.45Å; F710-L728 HydrophobicContact CE2-CG 4.34Å; F710-L728 HydrophobicContact CZ-CD1 3.66Å; F710-L728 HydrophobicContact CZ-CG 4.41Å; F710-D731 HydrophobicContact CD2-CB 4.19Å; F710-D731 HydrophobicContact CE2-CB 4.14Å; F710-Y733 HydrophobicContact CB-CD1 3.77Å; F710-Y733 HydrophobicContact CB-CG 3.94Å; F710-Y733 HydrophobicContact CD1-CD1 4.03Å; F710-Y733 HydrophobicContact CD1-CE1 4.42Å; F710-Y733 AromaticContact CD2-CD1 3.78Å; F710-Y733 HydrophobicContact CD2-CD1 3.78Å; F710-Y733 HydrophobicContact CD2-CG 4.26Å; F710-Y733 HydrophobicContact CE2-CD1 4.37Å; F710-Y733 AromaticContact CG-CD1 3.58Å; F710-Y733 HydrophobicContact CG-CD1 3.58Å; F710-Y733 HydrophobicContact CG-CE1 4.36Å; F710-Y733 HydrophobicContact CG-CG 4.17Å; F710-L734 HydrophobicContact CD2-CG 4.4Å; F710-L734 HydrophobicContact CE2-CD1 3.74Å; F710-L734 HydrophobicContact CE2-CD2 3.87Å; F710-L734 HydrophobicContact CE2-CG 3.65Å; F710-L734 HydrophobicContact CZ-CD1 3.98Å; F710-L734 HydrophobicContact CZ-CD2 3.95Å; F710-L734 HydrophobicContact CZ-CG 4.13Å
711	I	98.7	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-40.5	177	-68.8	167.3	0	0	0	111.5	F664 F665 L668 V695 F697 A707 R713 C714 L715	F664-I711 HydrophobicContact CD1-CD1 3.73Å; F664-I711 HydrophobicContact CD1-CG1 3.4Å; F664-I711 HydrophobicContact CE1-CD1 3.97Å; F664-I711 HydrophobicContact CE1-CG1 3.85Å; F664-I711 HydrophobicContact CG-CD1 4.48Å; F664-I711 HydrophobicContact CG-CG1 4.37Å; F665-I711 HydrophobicContact CB-CD1 4.25Å; F665-I711 HydrophobicContact CB-CG2 4.48Å; F665-I711 HydrophobicContact CD2-CD1 4.4Å; F665-I711 HydrophobicContact CD2-CG2 4.31Å; L668-I711 HydrophobicContact CD1-CD1 3.84Å; V695-I711 HydrophobicContact CG1-CG2 4.31Å; V695-I711 HydrophobicContact CG2-CG2 4.35Å; F697-I711 HydrophobicContact CE1-CB 4.02Å; F697-I711 HydrophobicContact CE1-CD1 3.9Å; F697-I711 HydrophobicContact CE1-CG2 3.83Å; F697-I711 HydrophobicContact CZ-CB 3.98Å; F697-I711 HydrophobicContact CZ-CG2 3.84Å; A707-I711 VanDerWaalsContact O-CG1 3.31Å; A707-I711 WeakPolarHBondContact O-CG1 3.28Å; A707-I711 PolarHBondContact O-N 3.41Å; I711-R713 VanDerWaalsContact C-N 3.35Å; I711-R713 PolarHBondContact O-N 2.97Å; I711-C714 PolarHBondContact O-N 2.92Å; I711-L715 HydrophobicContact CG2-CD1 3.61Å; I711-L715 HydrophobicContact CG2-CG 4.13Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 WeakPolarHBondContact O-CG 3.38Å; I711-L715 PolarHBondContact O-N 2.75Å
712	R	98.7	Very high	97.9	Very high	120 Å²	120	54.3 Å²	54.3	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-35.2	175.8	-72.2	-174.4	-166.2	97.6	-10.4	113.3	V695 F697 K708 A709 F710 L715 A716	V695-R712 HydrophobicContact CG1-CG 3.96Å; F697-R712 HydrophobicContact CE2-CG 4.15Å; F697-R712 HydrophobicContact CZ-CG 4.3Å; K708-R712 WeakPolarHBondContact O-CG 3.38Å; K708-R712 PolarHBondContact O-N 3.16Å; K708-R712 VanDerWaalsContact O-N 3.08Å; K708-R712 PolarHBondContact O-NH1 3.4Å; A709-R712 PolarHBondContact O-N 3.45Å; F710-R712 VanDerWaalsContact C-N 3.29Å; F710-R712 PolarHBondContact O-N 3.13Å; R712-L715 CarbonylContact O-C 3.59Å; R712-L715 PolarHBondContact O-N 3.13Å; R712-A716 PolarHBondContact O-N 3.26Å; R712-A716 VanDerWaalsContact O-N 3.1Å
713	R	98.4	Very high	98	Very high	69 Å²	69	50.8 Å²	50.8	26%	0.26	24%	0.243	S	C	.	.	H	α-helix	trans	-69.4	-36.7	175.5	-68.7	-173.7	-66.2	-88.2	8	112.2	A709 F710 I711 F723 D731	A709-R713 PolarHBondContact O-N 2.91Å; A709-R713 VanDerWaalsContact O-N 3.12Å; A709-R713 PolarHBondContact O-NH1 3.15Å; F710-R713 PolarHBondContact O-N 3.2Å; I711-R713 VanDerWaalsContact C-N 3.35Å; I711-R713 PolarHBondContact O-N 2.97Å; R713-F723 HydrophobicContact CB-CD1 4.37Å; R713-F723 HydrophobicContact CB-CD2 4.49Å; R713-F723 HydrophobicContact CB-CG 4.35Å; R713-F723 HydrophobicContact CG-CE1 4.41Å; R713-F723 HydrophobicContact CG-CZ 4.48Å; R713-D731 IonicContact CZ-OD1 2.73Å; R713-D731 IonicContact CZ-OD2 2.6Å; R713-D731 IonicContact NE-OD2 2.72Å; R713-D731 PolarHBondContact NE-OD2 2.82Å; R713-D731 IonicContact NH2-OD1 3.04Å; R713-D731 PolarHBondContact NH2-OD1 3.4Å; R713-D731 IonicContact NH2-OD2 3.16Å; R713-D731 PolarHBondContact NH2-OD2 2.95Å
714	C	98.7	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.7	-39.2	172.1	-59	0	0	0	0	112.9	V657 G661 F710 I711 R722 L728	V657-C714 HydrophobicContact CG1-CB 4.28Å; V657-C714 WeakPolarHBondContact O-CB 3.38Å; G661-C714 VanDerWaalsContact CA-CB 3.42Å; F710-C714 PolarHBondContact O-N 3.49Å; F710-C714 PolarHBondContact O-SG 2.87Å; F710-C714 VanDerWaalsContact O-SG 3.4Å; I711-C714 PolarHBondContact O-N 2.92Å; C714-R722 WeakPolarHBondContact O-CD 3.31Å; C714-R722 WeakPolarHBondContact O-CG 3.37Å; C714-L728 VanDerWaalsContact SG-CD1 3.52Å
715	L	98.7	Very high	98	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	28.8	-174.6	-58.1	-176.3	0	0	0	113.2	W658 V662 P673 F674 V695 I711 R712 Y717	W658-L715 HydrophobicContact CD2-CD2 3.62Å; W658-L715 HydrophobicContact CE3-CB 4.28Å; W658-L715 HydrophobicContact CE3-CD2 3.79Å; W658-L715 HydrophobicContact CG-CD2 4.03Å; W658-L715 HydrophobicContact CH2-CD2 4.49Å; W658-L715 HydrophobicContact CZ2-CD2 4.36Å; W658-L715 HydrophobicContact CZ3-CB 4.11Å; W658-L715 HydrophobicContact CZ3-CD2 4.22Å; W658-L715 WeakPolarHBondContact CZ3-O 3.41Å; W658-L715 WeakPolarHBondContact O-CD2 3.47Å; V662-L715 HydrophobicContact CG2-CD2 3.79Å; P673-L715 HydrophobicContact CB-CD1 4.43Å; P673-L715 HydrophobicContact CG-CD1 4.19Å; F674-L715 HydrophobicContact CE2-CD1 4.15Å; F674-L715 HydrophobicContact CZ-CD1 4.4Å; V695-L715 HydrophobicContact CB-CD1 4.12Å; V695-L715 HydrophobicContact CG1-CB 4.47Å; V695-L715 HydrophobicContact CG1-CD1 4.41Å; V695-L715 HydrophobicContact CG2-CD1 3.98Å; I711-L715 HydrophobicContact CG2-CD1 3.61Å; I711-L715 HydrophobicContact CG2-CG 4.13Å; I711-L715 WeakPolarHBondContact O-CB 3.47Å; I711-L715 WeakPolarHBondContact O-CG 3.38Å; I711-L715 PolarHBondContact O-N 2.75Å; R712-L715 CarbonylContact O-C 3.59Å; R712-L715 PolarHBondContact O-N 3.13Å; L715-Y717 PolarHBondContact O-N 3.34Å
716	A	98.6	Very high	97.9	Very high	19 Å²	19	50.2 Å²	50.2	16%	0.157	23%	0.228	C	C	.	.			trans	-64.9	124.9	170.4	0	0	0	0	0	109.1	R712 D721 R722	R712-A716 PolarHBondContact O-N 3.26Å; R712-A716 VanDerWaalsContact O-N 3.1Å; A716-D721 HydrophobicContact CB-CB 4.28Å; A716-R722 HydrophobicContact CB-CB 3.9Å; A716-R722 HydrophobicContact CB-CG 4.2Å; A716-R722 PolarHBondContact O-NE 3Å; A716-R722 PolarHBondContact O-NH2 2.96Å
717	Y	98.4	Very high	97.9	Very high	81 Å²	81	49 Å²	49	32%	0.318	22%	0.223	S	C	.	.	S	Bend	trans	-58.6	-51.6	-173.8	176.2	-99.6	0	0	0	111.8	P639 L690 A692 T693 L715 R722	P639-Y717 HydrophobicContact CB-CD2 4.02Å; P639-Y717 HydrophobicContact CB-CE2 3.63Å; P639-Y717 HydrophobicContact CG-CD2 3.52Å; P639-Y717 HydrophobicContact CG-CE2 3.64Å; P639-Y717 HydrophobicContact CG-CG 4.39Å; L690-Y717 WeakPolarHBondContact O-CE2 3.36Å; L690-Y717 PolarHBondContact O-OH 2.88Å; A692-Y717 WeakPolarHBondContact O-CD2 3.33Å; T693-Y717 HydrophobicContact CG2-CD1 4.37Å; T693-Y717 HydrophobicContact CG2-CD2 4.02Å; T693-Y717 HydrophobicContact CG2-CE1 4.41Å; T693-Y717 HydrophobicContact CG2-CE2 4.05Å; T693-Y717 HydrophobicContact CG2-CG 4.19Å; L715-Y717 PolarHBondContact O-N 3.34Å; Y717-R722 PolarHBondContact O-NH2 3.38Å
718	R	97.6	Very high	97.9	Very high	138 Å²	138	49.1 Å²	49.1	52%	0.521	22%	0.223	S	C	.	.	S	Bend	trans	-74.7	128.3	174	-63.4	-173.5	62	179.9	-2.2	110.2	E720 D721 R722	R718-E720 IonicContact CZ-OE2 3.69Å; R718-E720 IonicContact NE-OE2 4Å; R718-E720 PolarHBondContact NE-OE2 3.15Å; R718-E720 IonicContact NH2-OE2 4Å; R718-E720 PolarHBondContact NH2-OE2 3.33Å; R718-E720 PolarHBondContact O-N 3.27Å; R718-D721 HydrophobicContact CB-CB 4.41Å; R718-D721 WeakPolarHBondContact CB-OD2 3.43Å; R718-D721 WeakPolarHBondContact CD-OD2 3.48Å; R718-D721 PolarHBondContact O-N 2.94Å; R718-R722 PolarHBondContact O-N 2.93Å; R718-R722 VanDerWaalsContact O-N 3.14Å
719	K	96.5	Very high	97.8	Very high	58 Å²	58	47.7 Å²	47.7	25%	0.252	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.7	176.2	72.5	-178.5	-164.9	-53.5	0	112.9	E640 K654	E640-K719 HydrophobicContact CB-CD 4.41Å; E640-K719 HydrophobicContact CG-CD 4.22Å; K654-K719 WeakPolarHBondContact CD-O 3.46Å; K654-K719 WeakPolarHBondContact CE-O 3.48Å; K654-K719 PolarHBondContact NZ-O 3.42Å
720	E	95.6	Very high	97.7	Very high	93 Å²	93	51.1 Å²	51.1	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-45.5	174.7	-59.1	79	-127.8	0	0	111.1	K654 R718	K654-E720 PolarHBondContact NZ-O 3.29Å; R718-E720 IonicContact CZ-OE2 3.69Å; R718-E720 IonicContact NE-OE2 4Å; R718-E720 PolarHBondContact NE-OE2 3.15Å; R718-E720 IonicContact NH2-OE2 4Å; R718-E720 PolarHBondContact NH2-OE2 3.33Å; R718-E720 PolarHBondContact O-N 3.27Å
721	D	97.3	Very high	97.6	Very high	106 Å²	106	51.2 Å²	51.2	57%	0.567	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.8	-179.1	-55.5	-37.5	0	0	0	113.2	A716 R718	A716-D721 HydrophobicContact CB-CB 4.28Å; R718-D721 HydrophobicContact CB-CB 4.41Å; R718-D721 WeakPolarHBondContact CB-OD2 3.43Å; R718-D721 WeakPolarHBondContact CD-OD2 3.48Å; R718-D721 PolarHBondContact O-N 2.94Å
722	R	98.2	Very high	97.5	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	27%	0.267	C	S	.	.	S	Bend	trans	-72	142.3	178.7	-159.2	-175.2	-55.8	141.4	11.9	111.2	P638 E640 K654 V657 C714 A716 Y717 R718	P638-R722 VanDerWaalsContact CB-NH1 3.26Å; E640-R722 IonicContact OE1-CZ 3.19Å; E640-R722 IonicContact OE1-NH1 2.65Å; E640-R722 PolarHBondContact OE1-NH1 3.46Å; E640-R722 IonicContact OE1-NH2 2.81Å; E640-R722 PolarHBondContact OE1-NH2 2.81Å; E640-R722 IonicContact OE2-CZ 3.84Å; E640-R722 IonicContact OE2-NH1 3.17Å; E640-R722 IonicContact OE2-NH2 2.82Å; E640-R722 PolarHBondContact OE2-NH2 2.72Å; K654-R722 HydrophobicContact CD-CB 4.45Å; K654-R722 WeakPolarHBondContact CD-O 3.32Å; K654-R722 VanDerWaalsContact CE-O 3.27Å; K654-R722 WeakPolarHBondContact CE-O 3.17Å; K654-R722 PolarHBondContact NZ-O 2.89Å; K654-R722 WeakPolarHBondContact O-CD 3.41Å; K654-R722 PolarHBondContact O-NH1 2.87Å; V657-R722 HydrophobicContact CG1-CG 4.23Å; C714-R722 WeakPolarHBondContact O-CD 3.31Å; C714-R722 WeakPolarHBondContact O-CG 3.37Å; A716-R722 HydrophobicContact CB-CB 3.9Å; A716-R722 HydrophobicContact CB-CG 4.2Å; A716-R722 PolarHBondContact O-NE 3Å; A716-R722 PolarHBondContact O-NH2 2.96Å; Y717-R722 PolarHBondContact O-NH2 3.38Å; R718-R722 PolarHBondContact O-N 2.93Å; R718-R722 VanDerWaalsContact O-N 3.14Å
723	F	97.9	Very high	97.4	Very high	58 Å²	58	51.4 Å²	51.4	25%	0.254	25%	0.249	S	C	.	.			trans	-63.2	145.6	173.5	-83.9	22.7	0	0	0	111.3	V657 R713 Q727	V657-F723 HydrophobicContact CG1-CB 4.48Å; V657-F723 WeakPolarHBondContact CG1-O 3.39Å; V657-F723 WeakPolarHBondContact CG2-O 3.42Å; R713-F723 HydrophobicContact CB-CD1 4.37Å; R713-F723 HydrophobicContact CB-CD2 4.49Å; R713-F723 HydrophobicContact CB-CG 4.35Å; R713-F723 HydrophobicContact CG-CE1 4.41Å; R713-F723 HydrophobicContact CG-CZ 4.48Å; F723-Q727 VanDerWaalsContact CA-OE1 3.29Å; F723-Q727 HydrophobicContact CB-CB 4.02Å; F723-Q727 HydrophobicContact CD2-CB 3.7Å; F723-Q727 HydrophobicContact CE2-CB 4.21Å; F723-Q727 HydrophobicContact CG-CB 3.86Å
724	D	97.4	Very high	97.2	Very high	37 Å²	37	48.6 Å²	48.6	20%	0.198	24%	0.239	C	C	.	.			trans	-82.2	175.2	161.1	69.6	47	0	0	0	111.8	N653 K654 H726 Q727 L728	N653-D724 WeakPolarHBondContact OD1-CB 3.44Å; K654-D724 HydrophobicContact CG-CB 4.13Å; D724-H726 VanDerWaalsContact C-N 3.31Å; D724-H726 PolarHBondContact O-N 3.3Å; D724-H726 WeakPolarHBondContact OD1-CA 3.35Å; D724-H726 WeakPolarHBondContact OD1-CB 3.45Å; D724-H726 IonicContact OD1-CD2 3.63Å; D724-H726 PolarHBondContact OD1-N 3.4Å; D724-Q727 PolarHBondContact O-N 2.85Å; D724-Q727 WeakPolarHBondContact OD1-CG 3.47Å; D724-Q727 PolarHBondContact OD1-N 3.18Å; D724-L728 VanDerWaalsContact O-CB 3.28Å; D724-L728 WeakPolarHBondContact O-CB 3.42Å; D724-L728 PolarHBondContact O-N 2.84Å
725	V	97.6	Very high	96.8	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-33.7	-178.1	170.1	0	0	0	0	112.5	L572 N576 N653 V657 A729	L572-V725 HydrophobicContact CB-CG1 3.81Å; L572-V725 HydrophobicContact CB-CG2 4.36Å; N576-V725 HydrophobicContact CB-CG1 4.27Å; N653-V725 HydrophobicContact CB-CB 4.4Å; N653-V725 HydrophobicContact CB-CG2 3.76Å; V657-V725 HydrophobicContact CG2-CG2 3.79Å; V725-A729 VanDerWaalsContact O-CB 3.29Å; V725-A729 WeakPolarHBondContact O-CB 3.49Å; V725-A729 PolarHBondContact O-N 2.8Å
726	H	96.6	Very high	96	Very high	78 Å²	78	56.9 Å²	56.9	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-74.5	-39.4	179.4	-54.7	-73.7	0	0	0	111.3	D724 A729 N730	D724-H726 VanDerWaalsContact C-N 3.31Å; D724-H726 PolarHBondContact O-N 3.3Å; D724-H726 WeakPolarHBondContact OD1-CA 3.35Å; D724-H726 WeakPolarHBondContact OD1-CB 3.45Å; D724-H726 IonicContact OD1-CD2 3.63Å; D724-H726 PolarHBondContact OD1-N 3.4Å; H726-A729 PolarHBondContact O-N 2.95Å; H726-N730 PolarHBondContact O-N 3.44Å; H726-N730 PolarHBondContact O-ND2 3.2Å
727	Q	97.8	Very high	94.7	Very high	87 Å²	87	64 Å²	64	41%	0.407	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-44.3	171.6	-67.6	175	-30.1	0	0	110.9	F723 D724 A729 N730 D731	F723-Q727 VanDerWaalsContact CA-OE1 3.29Å; F723-Q727 HydrophobicContact CB-CB 4.02Å; F723-Q727 HydrophobicContact CD2-CB 3.7Å; F723-Q727 HydrophobicContact CE2-CB 4.21Å; F723-Q727 HydrophobicContact CG-CB 3.86Å; D724-Q727 PolarHBondContact O-N 2.85Å; D724-Q727 WeakPolarHBondContact OD1-CG 3.47Å; D724-Q727 PolarHBondContact OD1-N 3.18Å; Q727-A729 PolarHBondContact O-N 2.93Å; Q727-N730 CarbonylContact O-C 3.44Å; Q727-N730 PolarHBondContact O-N 3.42Å; Q727-D731 PolarHBondContact O-N 3.38Å
728	L	97.6	Very high	92.6	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-40.4	177.5	-170.1	70.6	0	0	0	112.4	V569 V657 V660 F710 C714 D724 N730 D731	V569-L728 HydrophobicContact CG1-CD2 4.45Å; V569-L728 HydrophobicContact CG1-CG 4.34Å; V569-L728 HydrophobicContact CG2-CD2 3.67Å; V569-L728 HydrophobicContact CG2-CG 4.12Å; V657-L728 HydrophobicContact CB-CD2 4.39Å; V657-L728 HydrophobicContact CG1-CD1 4.48Å; V657-L728 HydrophobicContact CG1-CD2 4.09Å; V657-L728 HydrophobicContact CG2-CB 4.47Å; V657-L728 HydrophobicContact CG2-CD2 4.03Å; V660-L728 HydrophobicContact CB-CD2 4.46Å; V660-L728 HydrophobicContact CG1-CD2 4.22Å; F710-L728 HydrophobicContact CD2-CD1 4.35Å; F710-L728 HydrophobicContact CE2-CD1 3.45Å; F710-L728 VanDerWaalsContact CE2-CD1 3.45Å; F710-L728 HydrophobicContact CE2-CG 4.34Å; F710-L728 HydrophobicContact CZ-CD1 3.66Å; F710-L728 HydrophobicContact CZ-CG 4.41Å; C714-L728 VanDerWaalsContact SG-CD1 3.52Å; D724-L728 VanDerWaalsContact O-CB 3.28Å; D724-L728 WeakPolarHBondContact O-CB 3.42Å; D724-L728 PolarHBondContact O-N 2.84Å; L728-N730 PolarHBondContact O-N 2.81Å; L728-D731 VanDerWaalsContact O-CB 3.25Å; L728-D731 WeakPolarHBondContact O-CB 3.26Å; L728-D731 PolarHBondContact O-N 2.84Å; L728-D731 VanDerWaalsContact O-N 3.12Å
729	A	96.3	Very high	90.1	Very high	18 Å²	18	73.3 Å²	73.3	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-21.7	177.3	0	0	0	0	0	113.8	V569 R573 V725 H726 Q727	V569-A729 HydrophobicContact CG1-CB 3.88Å; R573-A729 HydrophobicContact CB-CB 4.32Å; R573-A729 HydrophobicContact CG-CB 4.43Å; V725-A729 VanDerWaalsContact O-CB 3.29Å; V725-A729 WeakPolarHBondContact O-CB 3.49Å; V725-A729 PolarHBondContact O-N 2.8Å; H726-A729 PolarHBondContact O-N 2.95Å; Q727-A729 PolarHBondContact O-N 2.93Å
730	N	96.1	Very high	87.5	Confident	103 Å²	103	81.3 Å²	81.3	55%	0.551	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	10.5	175.8	-67.2	-71	0	0	0	113	H726 Q727 L728	H726-N730 PolarHBondContact O-N 3.44Å; H726-N730 PolarHBondContact O-ND2 3.2Å; Q727-N730 CarbonylContact O-C 3.44Å; Q727-N730 PolarHBondContact O-N 3.42Å; L728-N730 PolarHBondContact O-N 2.81Å
731	D	97.2	Very high	84.8	Confident	2 Å²	2	81.4 Å²	81.4	1%	0.011	40%	0.402	C	S	.	.			trans	-63.9	129.4	-177.8	-169.3	-65.7	0	0	0	111.6	F710 R713 Q727 L728 Y733 L734 L735	F710-D731 HydrophobicContact CD2-CB 4.19Å; F710-D731 HydrophobicContact CE2-CB 4.14Å; R713-D731 IonicContact CZ-OD1 2.73Å; R713-D731 IonicContact CZ-OD2 2.6Å; R713-D731 IonicContact NE-OD2 2.72Å; R713-D731 PolarHBondContact NE-OD2 2.82Å; R713-D731 IonicContact NH2-OD1 3.04Å; R713-D731 PolarHBondContact NH2-OD1 3.4Å; R713-D731 IonicContact NH2-OD2 3.16Å; R713-D731 PolarHBondContact NH2-OD2 2.95Å; Q727-D731 PolarHBondContact O-N 3.38Å; L728-D731 VanDerWaalsContact O-CB 3.25Å; L728-D731 WeakPolarHBondContact O-CB 3.26Å; L728-D731 PolarHBondContact O-N 2.84Å; L728-D731 VanDerWaalsContact O-N 3.12Å; D731-Y733 PolarHBondContact O-N 2.87Å; D731-Y733 VanDerWaalsContact OD1-CB 3.22Å; D731-Y733 WeakPolarHBondContact OD1-CB 3.46Å; D731-Y733 PolarHBondContact OD1-N 3.49Å; D731-L734 HydrophobicContact CB-CG 4.5Å; D731-L734 PolarHBondContact O-N 3.37Å; D731-L735 PolarHBondContact O-N 2.93Å
732	P	95.7	Very high	81.8	Confident	102 Å²	102	82.8 Å²	82.8	66%	0.662	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.7	179.8	-28.1	35.3	0	0	0	114.7	L734	P732-L734 VanDerWaalsContact C-N 3.3Å; P732-L734 PolarHBondContact O-N 3.26Å
733	Y	96.9	Very high	79	Confident	21 Å²	21	87.6 Å²	87.6	8%	0.082	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-30.8	176.1	-178.4	-109.1	0	0	0	112.5	E558 R562 F664 E706 A707 F710 D731	E558-Y733 WeakPolarHBondContact CG-OH 3.42Å; E558-Y733 PolarHBondContact OE1-OH 2.91Å; R562-Y733 HydrophobicContact CB-CE1 4.34Å; R562-Y733 HydrophobicContact CG-CE1 3.86Å; R562-Y733 PolarHBondContact NE-O 3.26Å; R562-Y733 PolarHBondContact NH2-O 3.46Å; F664-Y733 AromaticContact CE1-CE1 3.76Å; F664-Y733 HydrophobicContact CE1-CE1 3.76Å; F664-Y733 AromaticContact CZ-CE1 3.59Å; F664-Y733 HydrophobicContact CZ-CE1 3.59Å; F664-Y733 AromaticContact CZ-CZ 3.82Å; F664-Y733 WeakPolarHBondContact CZ-OH 3.46Å; E706-Y733 HydrophobicContact CB-CD2 3.86Å; E706-Y733 HydrophobicContact CB-CE2 4.29Å; A707-Y733 HydrophobicContact CB-CE1 4.44Å; A707-Y733 HydrophobicContact CB-CE2 3.87Å; F710-Y733 HydrophobicContact CB-CD1 3.77Å; F710-Y733 HydrophobicContact CB-CG 3.94Å; F710-Y733 HydrophobicContact CD1-CD1 4.03Å; F710-Y733 HydrophobicContact CD1-CE1 4.42Å; F710-Y733 AromaticContact CD2-CD1 3.78Å; F710-Y733 HydrophobicContact CD2-CD1 3.78Å; F710-Y733 HydrophobicContact CD2-CG 4.26Å; F710-Y733 HydrophobicContact CE2-CD1 4.37Å; F710-Y733 AromaticContact CG-CD1 3.58Å; F710-Y733 HydrophobicContact CG-CD1 3.58Å; F710-Y733 HydrophobicContact CG-CE1 4.36Å; F710-Y733 HydrophobicContact CG-CG 4.17Å; D731-Y733 PolarHBondContact O-N 2.87Å; D731-Y733 VanDerWaalsContact OD1-CB 3.22Å; D731-Y733 WeakPolarHBondContact OD1-CB 3.46Å; D731-Y733 PolarHBondContact OD1-N 3.49Å
734	L	95.4	Very high	76	Confident	10 Å²	10	89.1 Å²	89.1	5%	0.052	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-24.8	-178.8	-59.2	-172.7	0	0	0	113.3	R562 V565 M566 V569 F710 D731 P732	R562-L734 PolarHBondContact NH2-O 2.82Å; V565-L734 HydrophobicContact CG1-CD1 4.4Å; V565-L734 HydrophobicContact CG1-CD2 3.85Å; M566-L734 VanDerWaalsContact CE-O 3.28Å; M566-L734 WeakPolarHBondContact CE-O 3.45Å; M566-L734 HydrophobicContact CG-CB 4.21Å; M566-L734 HydrophobicContact CG-CD2 3.99Å; V569-L734 HydrophobicContact CB-CD1 4.09Å; V569-L734 HydrophobicContact CG1-CD1 4.02Å; V569-L734 HydrophobicContact CG2-CD1 3.92Å; F710-L734 HydrophobicContact CD2-CG 4.4Å; F710-L734 HydrophobicContact CE2-CD1 3.74Å; F710-L734 HydrophobicContact CE2-CD2 3.87Å; F710-L734 HydrophobicContact CE2-CG 3.65Å; F710-L734 HydrophobicContact CZ-CD1 3.98Å; F710-L734 HydrophobicContact CZ-CD2 3.95Å; F710-L734 HydrophobicContact CZ-CG 4.13Å; D731-L734 HydrophobicContact CB-CG 4.5Å; D731-L734 PolarHBondContact O-N 3.37Å; P732-L734 VanDerWaalsContact C-N 3.3Å; P732-L734 PolarHBondContact O-N 3.26Å
735	L	90	Very high	73	Confident	84 Å²	84	90.5 Å²	90.5	44%	0.44	48%	0.484	S	S	.	.	S	Bend	trans	-56.8	142.1	177	-64.7	-179.3	0	0	0	111.8	R562 D731 H737	R562-L735 PolarHBondContact NH2-O 2.85Å; D731-L735 PolarHBondContact O-N 2.93Å; L735-H737 PolarHBondContact O-N 3.26Å
736	P	80.9	Confident	69.9	Low	96 Å²	96	98.1 Å²	98.1	62%	0.623	53%	0.525	S	S	*	.			trans	-54.6	139.3	171.7	-23.1	33.4	0	0	0	110	M738	P736-M738 VanDerWaalsContact C-N 3.31Å; P736-M738 PolarHBondContact O-N 2.98Å
737	H	71	Confident	66.8	Low	169 Å²	169	102.7 Å²	102.7	78%	0.782	55%	0.551	S	S	*	*			trans	-62.1	99.1	168.1	-76.7	27.3	0	0	0	108	L735 R739	L735-H737 PolarHBondContact O-N 3.26Å; H737-R739 PolarHBondContact O-N 3.01Å
738	M	55.7	Low	63.8	Low	175 Å²	175	106.6 Å²	106.6	86%	0.862	57%	0.569	S	S	*	*			trans	-58.2	109.5	170	-69.3	-160.1	76.6	0	0	106.5	P736 R740	P736-M738 VanDerWaalsContact C-N 3.31Å; P736-M738 PolarHBondContact O-N 2.98Å; M738-R740 PolarHBondContact O-N 3.13Å
739	R	45.1	Very low	60.6	Low	239 Å²	239	114.3 Å²	114.3	90%	0.902	61%	0.607	S	S	*	*			trans	-55.7	112.4	167	-71	-174.5	-179.5	179.2	1	105.2	H737 S741	H737-R739 PolarHBondContact O-N 3.01Å; R739-S741 PolarHBondContact O-N 3.43Å
740	R	40.2	Very low	57.7	Low	226 Å²	226	118 Å²	118	85%	0.853	63%	0.631	S	S	*	*			trans	-53.7	111	162.9	-83.3	-176	170.5	175.6	-3.1	105.2	M738 N742	M738-R740 PolarHBondContact O-N 3.13Å; R740-N742 VanDerWaalsContact C-N 3.31Å; R740-N742 PolarHBondContact O-N 2.89Å
741	S	39.1	Very low	54.7	Low	96 Å²	96	116.3 Å²	116.3	67%	0.671	64%	0.638	S	S	*	*			trans	-59.9	105.7	164.3	178.8	0	0	0	0	105	R739 S743	R739-S741 PolarHBondContact O-N 3.43Å; S741-S743 PolarHBondContact O-N 2.89Å
742	N	36.2	Very low	51.7	Low	134 Å²	134	124.1 Å²	124.1	72%	0.717	68%	0.68	S	S	*	*			trans	-72.5	65.5	163.7	-84.6	14.9	0	0	0	107.7	R740 S744	R740-N742 VanDerWaalsContact C-N 3.31Å; R740-N742 PolarHBondContact O-N 2.89Å; N742-S744 PolarHBondContact O-N 2.87Å
743	S	37.6	Very low	48.8	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	69%	0.69	S	S	*	*			trans	-71.5	53.5	149	55.6	0	0	0	0	108.8	S741 G745	S741-S743 PolarHBondContact O-N 2.89Å; S743-G745 PolarHBondContact O-N 3.3Å
744	S	36.8	Very low	46	Very low	91 Å²	91	130 Å²	130	64%	0.636	73%	0.726	S	S	*	*			trans	-76.4	76.7	162.7	-63.1	0	0	0	0	106.5	N742 N746	N742-S744 PolarHBondContact O-N 2.87Å; S744-N746 PolarHBondContact O-N 2.88Å
745	G	34.2	Very low	43.3	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	77%	0.765	S	S	*	*			trans	-57.6	125.2	161.4	0	0	0	0	0	108	S743 L747	S743-G745 PolarHBondContact O-N 3.3Å; G745-L747 PolarHBondContact O-N 3.18Å
746	N	31.5	Very low	40.9	Very low	161 Å²	161	137.8 Å²	137.8	86%	0.861	78%	0.78	S	S	*	*			trans	-56.5	109.1	174.9	-87.2	-19.2	0	0	0	110.1	S744	S744-N746 PolarHBondContact O-N 2.88Å
747	L	32.3	Very low	38.8	Very low	174 Å²	174	139.9 Å²	139.9	91%	0.911	79%	0.791	S	S	*	*			trans	-128.6	101.1	150.6	-82.1	177.6	0	0	0	109.5	G745	G745-L747 PolarHBondContact O-N 3.18Å
748	H	33.7	Very low	37.5	Very low	168 Å²	168	137.5 Å²	137.5	78%	0.778	79%	0.791	S	S	*	*			trans	-61.9	129.6	170.9	-136.3	-100.4	0	0	0	109.4
749	M	31.9	Very low	37	Very low	163 Å²	163	135 Å²	135	80%	0.803	79%	0.788	S	S	*	*			trans	-152.9	81.9	158.1	-118	-67.7	106.5	0	0	111
750	S	35.1	Very low	36.8	Very low	95 Å²	95	129.2 Å²	129.2	66%	0.664	78%	0.784	S	S	*	*			trans	-80.3	131.9	156.1	-53.8	0	0	0	0	107.4
751	G	31.4	Very low	36.8	Very low	68 Å²	68	123.9 Å²	123.9	70%	0.701	78%	0.781	S	S	*	*			trans	-71.9	158.7	-155.9	0	0	0	0	0	116.4
752	L	35.6	Very low	36.9	Very low	167 Å²	167	125.2 Å²	125.2	87%	0.874	79%	0.791	S	S	*	*			trans	-128.5	134.5	152.2	-83.2	172.5	0	0	0	109.1
753	T	34.1	Very low	37.1	Very low	145 Å²	145	126 Å²	126	89%	0.89	79%	0.793	S	S	*	*			trans	-77.9	119.3	178.2	46.7	0	0	0	0	111.1
754	A	37.8	Very low	37.4	Very low	101 Å²	101	128.8 Å²	128.8	84%	0.835	80%	0.798	S	S	*	*			trans	-148.8	152	159.9	0	0	0	0	0	110.3
755	T	39.9	Very low	37.9	Very low	140 Å²	140	129.9 Å²	129.9	86%	0.859	80%	0.801	S	S	*	*			trans	-78.8	161.4	-160.9	42.4	0	0	0	0	115.7
756	P	40.1	Very low	38.4	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	82%	0.824	S	S	*	*			trans	-101.7	145.4	-165.8	37.7	-33.2	0	0	0	115.4
757	T	35.9	Very low	38.8	Very low	140 Å²	140	139.8 Å²	139.8	86%	0.859	82%	0.822	S	S	*	*			trans	-148.5	128.7	154.7	46.3	0	0	0	0	110.9
758	P	44.6	Very low	39.1	Very low	119 Å²	119	137.9 Å²	137.9	77%	0.773	82%	0.817	S	S	*	*			trans	-106.1	-167.4	179.5	42	-35	0	0	0	112
759	P	45	Very low	39.4	Very low	122 Å²	122	136.3 Å²	136.3	79%	0.792	82%	0.82	S	S	*	*			cis	-130.6	171.6	-45.6	32.4	-15.7	0	0	0	113
760	S	40	Very low	39.9	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	82%	0.82	S	S	*	*			trans	-153.1	123	149.4	67.5	0	0	0	0	114.7
761	S	39.4	Very low	40.2	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	83%	0.83	S	S	*	*			trans	-27.5	140.9	165.5	-41.9	0	0	0	0	118.4
762	S	41.2	Very low	40.8	Very low	125 Å²	125	141.8 Å²	141.8	87%	0.874	84%	0.839	S	S	*	*				-169.3	152.9	107.4	25.3	0	0	0	0	113.1
763	I	42.3	Very low	41.1	Very low	150 Å²	150	140 Å²	140	77%	0.769	84%	0.836	S	S	*	*			trans	-94.5	148.8	-177	-71.1	157.9	0	0	0	109.4
764	I	43.8	Very low	41.7	Very low	160 Å²	160	139.6 Å²	139.6	82%	0.821	83%	0.832	S	S	*	*				-169	137.7	129.4	-96.4	152.6	0	0	0	110.7
765	T	45.9	Very low	42	Very low	114 Å²	114	142.8 Å²	142.8	70%	0.699	83%	0.832	S	S	*	*			trans	-95.7	153.4	-179.3	-42.4	0	0	0	0	110.8
766	Y	46.2	Very low	42.2	Very low	295 Å²	295	143.1 Å²	143.1	100%	1.157	83%	0.83	S	S	*	*			trans	-136.1	0	142.4	-99.7	-73	0	0	0	109

Retrieved 766 of 766 residues in 536.6 ms (Link to these results)

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