A0A5K4F1K0_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1K0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 946 aa.

						>A0A5K4F1K0_SCHMA|A0A5K4F1K0
MSTSSTRPPRVPANSNLASTVRATGNSHINDGLSRLRVGSAASRESSYSPPADRKPATTRRTIKPTYGVKADEVNAALLRKLEKATSSFSHPDFEDDTGGASSDNDVFDTEDDGCAMKHDEGIILLATSSSLLSPESPVYGNEAGAGDLLPTSSSSVKSPVKQLLKALTSGSRLVTLKPISKRELCQKHVPTANMATQTNDIHLVCERCSNYFSLDTEQAPSSSTCITNKGDENQQPSLYKLSLFTSVIEYMPYLIPLSRGVPLRRMRSTTTSNNPLVFGANSLRFRWPIDGEFVDCTETLPDHPAAVFTVCIICDGYTATDVRFTKRVEYFNSPCKASVIVCGPFTFKSCSNIKSGNHLRKIDNFNEVTKTKSNNLHNGSMKNSLNSNNEIDEEENNKLNDNHEDDEDSECETVGRRLRRQLRRTQKTQEINAATVACAMRQNAMMDGSMTYQKNDNHITNTNNTSASDNNNNTVNGNGIDNQYASKLINNNTDSLIQNTEDQAMSRLAVARQRAKRFIELRKLSVTESLNENLLIRQEAESPEEEDDDEVVDDVDGHLIYSIGDRLLNRYEIVKTLGEGTFGKVVECKDHVQNRRIALKIIKNVDKYREAAMLEINVLNFLNERSANVEHLCVTLLDWFDYHGHICLAFDILGLSVFDFLKENNYVGYPMEHVRHISYQLCYAVRFLHDNQLTHTDLKPENILFVDSDYISVHNRKKRRHERMVKCSDIRLIDFGSATFDYDHHSTIVSTRHYRAPEVILELGWSQPCDVWSIGCIMFELYTGYTLFQTHDNREHLAMMERTLGHIPYRMTRKSRTGFFYHGRLDWDFYNQEGRYVRENCRPLLRYCKDESQDTLDLFDLMSKMLEYDPADRIPLSAALTHPFFLHLPSHQRLTYTPYPLDTIPPNERRTSGSRSGTTNQQPSTTANNGSSSSSSVSSDFKRNR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	38.4	Very low	243 Å²	243	153.3 Å²	153.3	100%	1.197	84%	0.844	S	S	*	*				0	164.7	0	-76.9	170.7	161.5	0	0	108.9
2	S	32.1	Very low	38.5	Very low	99 Å²	99	150.6 Å²	150.6	69%	0.692	84%	0.84	S	S	*	*			trans	-37.9	133.2	176.6	38.1	0	0	0	0	114.2
3	T	35.4	Very low	38.1	Very low	136 Å²	136	146.8 Å²	146.8	83%	0.834	84%	0.839	S	S	*	*				56.7	139.9	70.1	69.4	0	0	0	0	113.1
4	S	37.8	Very low	38.4	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	84%	0.843	S	S	*	*			cis	-152.7	170.9	32.6	53	0	0	0	0	114.9
5	S	33.5	Very low	38.2	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	83%	0.828	S	S	*	*			trans	-95.4	151	172.2	169.8	0	0	0	0	112.2
6	T	44.5	Very low	38.2	Very low	142 Å²	142	144.4 Å²	144.4	87%	0.871	83%	0.825	S	S	*	*			trans	-138.9	147.6	167	14.3	0	0	0	0	111.4
7	R	36.7	Very low	38.2	Very low	234 Å²	234	145.4 Å²	145.4	88%	0.883	83%	0.827	S	S	*	*			trans	-132.2	140.5	-170.6	-170.1	-177.3	-170	-147.1	6.9	109.4
8	P	41	Very low	38	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	82%	0.822	S	S	*	*			trans	-74.5	154.2	-174.4	29.6	-36	0	0	0	113.5
9	P	51.1	Low	37.9	Very low	125 Å²	125	140.8 Å²	140.8	81%	0.812	82%	0.82	S	S	*	*			trans	-81	168.9	179.2	34.4	-36.4	0	0	0	113.3
10	R	33.7	Very low	37.7	Very low	237 Å²	237	140.1 Å²	140.1	89%	0.894	82%	0.818	S	S	*	*			trans	-139	132	178.8	-160.9	-174	-159.8	-167.1	6.7	108.7
11	V	44.4	Very low	37.7	Very low	133 Å²	133	139.3 Å²	139.3	81%	0.806	82%	0.815	S	S	*	*			trans	-132.5	143	-178.8	178	0	0	0	0	108.1
12	P	39.3	Very low	37.7	Very low	121 Å²	121	139.2 Å²	139.2	79%	0.786	80%	0.801	S	S	*	*			trans	-97.5	172.7	-153.4	38.1	-37	0	0	0	115.5
13	A	33.3	Very low	37.9	Very low	101 Å²	101	138.1 Å²	138.1	84%	0.835	80%	0.798	S	S	*	*			trans	-74.8	164.4	173.6	0	0	0	0	0	112.9
14	N	42.2	Very low	37.9	Very low	166 Å²	166	138.6 Å²	138.6	89%	0.888	80%	0.801	S	S	*	*			trans	-141.4	146.6	164.6	-155	6.4	0	0	0	109.5
15	S	35.7	Very low	37.9	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	80%	0.798	S	S	*	*			trans	-116.7	151.4	-174.2	54.2	0	0	0	0	111.3
16	N	38.3	Very low	38.1	Very low	147 Å²	147	139 Å²	139	79%	0.786	80%	0.802	S	S	*	*				180	153.3	129.8	-97.5	-21	0	0	0	117.2
17	L	38.1	Very low	37.7	Very low	162 Å²	162	136 Å²	136	85%	0.848	79%	0.787	S	S	*	*			trans	69.7	157.4	157.5	-92.4	70.2	0	0	0	120
18	A	34.5	Very low	37.8	Very low	89 Å²	89	132.3 Å²	132.3	74%	0.736	78%	0.78	S	S	*	*			trans	-162.3	-172.3	-160.4	0	0	0	0	0	112.3
19	S	36	Very low	37.5	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	78%	0.78	S	S	*	*			trans	82.7	153.2	170	81.2	0	0	0	0	117.7
20	T	34.6	Very low	36.8	Very low	126 Å²	126	134.8 Å²	134.8	77%	0.773	78%	0.778	S	S	*	*			cis	-170.2	177.2	-24.6	-83.9	0	0	0	0	107.6
21	V	36.6	Very low	36.9	Very low	125 Å²	125	131.1 Å²	131.1	76%	0.758	78%	0.777	S	S	*	*			trans	89.2	117.1	169.2	-167.3	0	0	0	0	113.2
22	R	33.3	Very low	36.4	Very low	241 Å²	241	128.1 Å²	128.1	91%	0.909	77%	0.772	S	S	*	*				76.4	144.1	55.8	-79.3	-174.6	179	-177.5	0.2	113.4
23	A	36.6	Very low	36.2	Very low	75 Å²	75	131.2 Å²	131.2	62%	0.62	78%	0.781	S	S	*	*			cis	-162.7	159.2	3.5	0	0	0	0	0	115.4
24	T	35.2	Very low	36.2	Very low	146 Å²	146	131.3 Å²	131.3	90%	0.896	78%	0.776	S	S	*	*			trans	61.3	136.8	138.3	52.9	0	0	0	0	126.5
25	G	37.3	Very low	35.8	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	77%	0.774	S	S	*	*			trans	160.5	102.6	154.3	0	0	0	0	0	111.2
26	N	37.1	Very low	35.6	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	78%	0.783	S	S	*	*				62.6	138.6	84.6	-81.6	22.3	0	0	0	116.1
27	S	35.8	Very low	35	Very low	80 Å²	80	142.1 Å²	142.1	56%	0.559	79%	0.79	S	S	*	*			cis	-170.9	179.5	-14.1	45.8	0	0	0	0	111.3
28	H	38.9	Very low	34.9	Very low	156 Å²	156	141 Å²	141	72%	0.722	79%	0.79	S	S	*	*			trans	84.9	117.5	175.5	-54.9	-79.4	0	0	0	116.4
29	I	36.3	Very low	34.7	Very low	145 Å²	145	139.6 Å²	139.6	74%	0.744	78%	0.784	S	S	*	*				82.9	118.8	60.9	-70.7	163.6	0	0	0	110.3
30	N	36.4	Very low	34.4	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	79%	0.792	S	S	*	*				-155.2	179.4	58.4	-141.4	-2.4	0	0	0	115.5
31	D	34.2	Very low	34	Very low	160 Å²	160	139.5 Å²	139.5	86%	0.856	79%	0.794	S	S	*	*			trans	-75.2	163.3	-168.8	-68.6	-63.9	0	0	0	118.7
32	G	33.7	Very low	33.7	Very low	69 Å²	69	138.5 Å²	138.5	71%	0.711	80%	0.799	S	S	*	*			trans	-178.6	73.3	172.4	0	0	0	0	0	118.8
33	L	36.8	Very low	33.5	Very low	186 Å²	186	132 Å²	132	97%	0.974	79%	0.791	S	S	*	*			trans	66.4	160.1	163.2	-74.7	161.8	0	0	0	119.4
34	S	32.8	Very low	33.1	Very low	103 Å²	103	139 Å²	139	72%	0.72	80%	0.801	S	S	*	*			trans	-133.5	154	-160.9	64.6	0	0	0	0	114.3
35	R	34.2	Very low	32.8	Very low	225 Å²	225	140.6 Å²	140.6	85%	0.849	80%	0.799	S	S	*	*				-169.4	127.3	117.5	-104.4	169.3	-179.8	-175.9	-0.7	114.8
36	L	30.4	Very low	32.5	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	80%	0.801	S	S	*	*			trans	51.6	104.8	144.3	-63.4	167.2	0	0	0	119.7
37	R	27	Very low	32	Very low	249 Å²	249	140.5 Å²	140.5	94%	0.94	80%	0.799	S	S	*	*			trans	-115.2	102.5	164.3	-170.3	-173	-152.9	162.7	7.7	109.5
38	V	35.9	Very low	31.6	Very low	138 Å²	138	146.3 Å²	146.3	84%	0.836	81%	0.811	S	S	*	*			trans	-94.3	141	168	-175	0	0	0	0	107.5
39	G	29.3	Very low	31.1	Very low	60 Å²	60	143.4 Å²	143.4	62%	0.619	81%	0.807	S	S	*	*			cis	160.2	83.2	-2.1	0	0	0	0	0	108.6	A41	G39-A41 PolarHBondContact O-N 3.09Å
40	S	29.1	Very low	30.9	Very low	138 Å²	138	140.5 Å²	140.5	97%	0.965	80%	0.798	S	S	*	*			trans	-78.5	106.5	-171	-169.8	0	0	0	0	111.5
41	A	26.9	Very low	30.7	Very low	99 Å²	99	139.5 Å²	139.5	82%	0.818	80%	0.8	S	S	*	*			trans	-149.3	68.7	-175.4	0	0	0	0	0	113	G39	G39-A41 PolarHBondContact O-N 3.09Å
42	A	31.5	Very low	30.6	Very low	104 Å²	104	137 Å²	137	86%	0.86	80%	0.802	S	S	*	*			trans	-154.2	93.5	164.3	0	0	0	0	0	109.8
43	S	28.7	Very low	30.7	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	80%	0.802	S	S	*	*			trans	-139.1	132.2	-178.1	-172.2	0	0	0	0	110.6
44	R	27.9	Very low	30.7	Very low	223 Å²	223	143 Å²	143	84%	0.842	80%	0.8	S	S	*	*			trans	71.7	119	175.8	-49.8	152.6	79.5	153.5	5.3	114.8
45	E	28.1	Very low	30.8	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	81%	0.805	S	S	*	*				171.3	141.1	111.6	-92.8	169.8	-172.7	0	0	113.9
46	S	32	Very low	30.7	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	81%	0.805	S	S	*	*			trans	57.9	119.7	176.8	73.5	0	0	0	0	116.8
47	S	26.8	Very low	30.9	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	81%	0.805	S	S	*	*			cis	69.2	66.2	10.2	-48.4	0	0	0	0	117.1
48	Y	26.9	Very low	31.2	Very low	202 Å²	202	134.1 Å²	134.1	79%	0.792	80%	0.797	S	S	*	*			trans	-158.9	130.7	148.5	-136.8	-90.5	0	0	0	114.2
49	S	29.3	Very low	31.2	Very low	94 Å²	94	133.8 Å²	133.8	66%	0.657	80%	0.796	S	S	*	*			trans	-128.3	124.3	171.9	-70.1	0	0	0	0	110.2
50	P	31.9	Very low	31.2	Very low	85 Å²	85	141.9 Å²	141.9	55%	0.552	81%	0.807	S	S	*	*			trans	-72.5	143.6	172.4	-15	30.6	0	0	0	111.5
51	P	31.7	Very low	31.4	Very low	125 Å²	125	147.3 Å²	147.3	81%	0.812	81%	0.807	S	S	*	*			trans	-75.7	147.7	-179.3	31.4	-35.3	0	0	0	112.4
52	A	31.3	Very low	31.5	Very low	109 Å²	109	148.4 Å²	148.4	90%	0.901	80%	0.803	S	S	*	*			trans	-102	100	169.2	0	0	0	0	0	109.7
53	D	36.2	Very low	31.6	Very low	134 Å²	134	151.7 Å²	151.7	72%	0.717	81%	0.805	S	S	*	*			trans	-145.8	123.9	175.1	-164.9	2.9	0	0	0	112.1
54	R	37.4	Very low	31.7	Very low	247 Å²	247	156.1 Å²	156.1	93%	0.932	81%	0.811	S	S	*	*			trans	-175.4	129.4	141	-103.5	168.1	-172.1	-165.9	2.3	110.7
55	K	34.9	Very low	31.9	Very low	188 Å²	188	151.2 Å²	151.2	82%	0.817	81%	0.808	S	S	*	*			trans	-84.3	158	172.4	-67.3	169.7	-176.1	166.7	0	110.7
56	P	31.7	Very low	32.2	Very low	132 Å²	132	149.2 Å²	149.2	86%	0.857	81%	0.808	S	S	*	*			trans	-87	139	-176.3	33.5	-34.4	0	0	0	113.4
57	A	33.9	Very low	32.2	Very low	98 Å²	98	154.2 Å²	154.2	81%	0.81	81%	0.812	S	S	*	*			trans	-156.6	158.4	161	0	0	0	0	0	112.5
58	T	33.7	Very low	32.4	Very low	127 Å²	127	151.8 Å²	151.8	78%	0.779	81%	0.805	S	S	*	*			trans	-49.3	159	174.1	47.2	0	0	0	0	114.5
59	T	35.6	Very low	32.7	Very low	132 Å²	132	147.2 Å²	147.2	81%	0.81	80%	0.798	S	S	*	*			cis	-161.1	162.1	48.8	-43.1	0	0	0	0	113.1
60	R	30.6	Very low	32.8	Very low	229 Å²	229	148.6 Å²	148.6	86%	0.864	79%	0.792	S	S	*	*			trans	-76.8	146.5	176.3	-80	178.7	166.5	-178	-3.4	113.9
61	R	32.4	Very low	32.9	Very low	252 Å²	252	147.8 Å²	147.8	95%	0.951	79%	0.793	S	S	*	*				-145.8	170.6	128.5	-108	173	-172.9	-178.3	1.8	110.1
62	T	29.4	Very low	33.2	Very low	122 Å²	122	147 Å²	147	75%	0.748	78%	0.782	S	S	*	*			trans	-119.4	139.9	-154.8	45.3	0	0	0	0	115
63	I	33	Very low	33.9	Very low	173 Å²	173	146.4 Å²	146.4	89%	0.887	76%	0.76	S	S	*	*			trans	-123.9	143.7	158.3	-60.2	177.9	0	0	0	107.4
64	K	31.5	Very low	34.1	Very low	198 Å²	198	144.2 Å²	144.2	86%	0.861	75%	0.752	S	S	*	*			trans	-98.9	155.2	178.9	-92.1	-176	175.5	179	0	111.5
65	P	32.2	Very low	34.2	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	73%	0.727	S	S	*	*			trans	-100.6	165	-161.6	39.2	-36.8	0	0	0	115.1
66	T	33.1	Very low	35	Very low	137 Å²	137	128.8 Å²	128.8	84%	0.84	70%	0.701	S	S	*	*			trans	-106.3	160.1	163.1	41.1	0	0	0	0	111.7
67	Y	33.4	Very low	35.9	Very low	216 Å²	216	124.7 Å²	124.7	85%	0.847	68%	0.679	S	S	*	*			trans	-72.7	167.3	-175.7	-63.6	-108.9	0	0	0	111.9
68	G	30	Very low	36.3	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	66%	0.659	S	S	*	*			cis	-141.2	-158	1.7	0	0	0	0	0	110.7
69	V	33	Very low	36.8	Very low	106 Å²	106	119.8 Å²	119.8	64%	0.642	63%	0.633	S	S	*	*			cis	-127.2	141.8	16.2	175	0	0	0	0	108.8	E73 V74	V69-E73 HydrophobicContact CG1-CB 3.52Å; V69-E73 HydrophobicContact CG1-CG 4.38Å; V69-V74 HydrophobicContact CG1-CG2 4.04Å
70	K	32.9	Very low	37.6	Very low	123 Å²	123	121.2 Å²	121.2	54%	0.535	62%	0.624	S	S	.	*			trans	-73.8	152.1	177.1	-70.1	-177.2	178	179.5	0	111.5	D72 E73 V74	K70-D72 HydrophobicContact CB-CB 4.26Å; K70-D72 PolarHBondContact O-N 3.37Å; K70-E73 HydrophobicContact CB-CG 4.31Å; K70-E73 PolarHBondContact N-OE2 3.09Å; K70-E73 WeakPolarHBondContact O-CB 3.47Å; K70-E73 PolarHBondContact O-N 2.78Å; K70-V74 PolarHBondContact O-N 3.43Å
71	A	32.9	Very low	38.5	Very low	69 Å²	69	118.2 Å²	118.2	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-55.2	-34.6	169.5	0	0	0	0	0	111.5	E73 V74 N75	A71-E73 VanDerWaalsContact C-N 3.29Å; A71-E73 PolarHBondContact O-N 2.94Å; A71-V74 PolarHBondContact O-N 2.99Å; A71-N75 WeakPolarHBondContact O-CB 3.38Å; A71-N75 VanDerWaalsContact O-CG 3.22Å; A71-N75 PolarHBondContact O-N 3.3Å; A71-N75 PolarHBondContact O-ND2 3.43Å
72	D	39.1	Very low	38.8	Very low	108 Å²	108	108.7 Å²	108.7	58%	0.578	59%	0.585	S	S	*	*	H	α-helix	trans	-59.4	-36	174.5	-44	-51	0	0	0	112.8	K70 A76	K70-D72 HydrophobicContact CB-CB 4.26Å; K70-D72 PolarHBondContact O-N 3.37Å; D72-A76 WeakPolarHBondContact O-CB 3.27Å; D72-A76 PolarHBondContact O-N 3.27Å
73	E	44.5	Very low	39.6	Very low	97 Å²	97	107.5 Å²	107.5	45%	0.453	57%	0.571	S	S	.	*	H	α-helix	trans	-77.5	-37.1	179.3	-69.9	173.6	107.5	0	0	112	V69 K70 A71 A76 A77	V69-E73 HydrophobicContact CG1-CB 3.52Å; V69-E73 HydrophobicContact CG1-CG 4.38Å; K70-E73 HydrophobicContact CB-CG 4.31Å; K70-E73 PolarHBondContact N-OE2 3.09Å; K70-E73 WeakPolarHBondContact O-CB 3.47Å; K70-E73 PolarHBondContact O-N 2.78Å; A71-E73 VanDerWaalsContact C-N 3.29Å; A71-E73 PolarHBondContact O-N 2.94Å; E73-A76 CarbonylContact O-C 3.59Å; E73-A76 PolarHBondContact O-N 3.23Å; E73-A77 WeakPolarHBondContact O-CB 3.34Å; E73-A77 PolarHBondContact O-N 3.37Å
74	V	40.2	Very low	40.4	Very low	88 Å²	88	107 Å²	107	53%	0.533	56%	0.562	S	S	.	*	H	α-helix	trans	-64.6	-44.5	172	-178.9	0	0	0	0	109.9	V69 K70 A71 A76 A77 L78	V69-V74 HydrophobicContact CG1-CG2 4.04Å; K70-V74 PolarHBondContact O-N 3.43Å; A71-V74 PolarHBondContact O-N 2.99Å; V74-A76 VanDerWaalsContact C-N 3.34Å; V74-A76 PolarHBondContact O-N 3.39Å; V74-A77 PolarHBondContact O-N 3.33Å; V74-L78 PolarHBondContact O-N 3.07Å
75	N	41.2	Very low	40.8	Very low	77 Å²	77	99.5 Å²	99.5	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-61.2	-41.9	173	-71.7	-17.7	0	0	0	111.2	A71 A77 L78 L79	A71-N75 WeakPolarHBondContact O-CB 3.38Å; A71-N75 VanDerWaalsContact O-CG 3.22Å; A71-N75 PolarHBondContact O-N 3.3Å; A71-N75 PolarHBondContact O-ND2 3.43Å; N75-A77 VanDerWaalsContact C-N 3.32Å; N75-A77 PolarHBondContact O-N 3.4Å; N75-L78 PolarHBondContact O-N 3.33Å; N75-L79 VanDerWaalsContact O-CB 3.28Å; N75-L79 WeakPolarHBondContact O-CB 3.35Å; N75-L79 PolarHBondContact O-N 3.33Å
76	A	51.6	Low	41	Very low	33 Å²	33	96.8 Å²	96.8	27%	0.273	52%	0.518	S	S	.	.	H	α-helix	trans	-68	-24.9	175.3	0	0	0	0	0	114	D72 E73 V74 L79 R80	D72-A76 WeakPolarHBondContact O-CB 3.27Å; D72-A76 PolarHBondContact O-N 3.27Å; E73-A76 CarbonylContact O-C 3.59Å; E73-A76 PolarHBondContact O-N 3.23Å; V74-A76 VanDerWaalsContact C-N 3.34Å; V74-A76 PolarHBondContact O-N 3.39Å; A76-L79 WeakPolarHBondContact O-CB 3.37Å; A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 2.88Å; A76-R80 PolarHBondContact O-NE 2.96Å
77	A	49.4	Very low	41.4	Very low	47 Å²	47	93.9 Å²	93.9	39%	0.388	50%	0.504	S	S	.	.	H	α-helix	trans	-78.6	-40.9	172.8	0	0	0	0	0	111.5	E73 V74 N75 L79 R80 K81	E73-A77 WeakPolarHBondContact O-CB 3.34Å; E73-A77 PolarHBondContact O-N 3.37Å; V74-A77 PolarHBondContact O-N 3.33Å; N75-A77 VanDerWaalsContact C-N 3.32Å; N75-A77 PolarHBondContact O-N 3.4Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-R80 PolarHBondContact O-N 2.62Å; A77-K81 PolarHBondContact O-N 2.83Å; A77-K81 VanDerWaalsContact O-N 3.11Å
78	L	43.3	Very low	41.6	Very low	76 Å²	76	88 Å²	88	40%	0.398	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-42.2	171.5	-171.9	68.3	0	0	0	111.1	V74 N75 K81 L82	V74-L78 PolarHBondContact O-N 3.07Å; N75-L78 PolarHBondContact O-N 3.33Å; L78-K81 PolarHBondContact O-N 2.59Å; L78-L82 HydrophobicContact CG-CD1 4.25Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.72Å
79	L	44.7	Very low	41.7	Very low	45 Å²	45	91.2 Å²	91.2	24%	0.236	49%	0.49	C	S	.	.	H	α-helix	trans	-50.2	-57.8	170.4	-116	159.9	0	0	0	112	N75 A76 A77 K81 L82 E83 L165	N75-L79 VanDerWaalsContact O-CB 3.28Å; N75-L79 WeakPolarHBondContact O-CB 3.35Å; N75-L79 PolarHBondContact O-N 3.33Å; A76-L79 WeakPolarHBondContact O-CB 3.37Å; A77-L79 VanDerWaalsContact C-N 3.34Å; L79-K81 PolarHBondContact O-N 2.99Å; L79-L82 CarbonylContact O-C 3.39Å; L79-L82 PolarHBondContact O-N 2.9Å; L79-E83 HydrophobicContact CD2-CG 4.19Å; L79-E83 WeakPolarHBondContact O-CG 3.44Å; L79-E83 PolarHBondContact O-N 3.01Å; L79-L165 HydrophobicContact CD1-CD2 3.79Å; L79-L165 HydrophobicContact CD2-CD1 3.84Å; L79-L165 HydrophobicContact CD2-CD2 3.47Å; L79-L165 VanDerWaalsContact CD2-CD2 3.47Å; L79-L165 HydrophobicContact CD2-CG 4.14Å; L79-L165 HydrophobicContact CG-CD2 3.58Å
80	R	51.1	Low	41.7	Very low	163 Å²	163	89.8 Å²	89.8	62%	0.615	48%	0.484	S	S	*	.	H	α-helix	trans	-64.3	-27.7	-178.1	-76.4	177.6	-74.4	178.5	-2	112.9	A76 A77 K84	A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 2.88Å; A76-R80 PolarHBondContact O-NE 2.96Å; A77-R80 PolarHBondContact O-N 2.62Å; R80-K84 VanDerWaalsContact O-CB 3.26Å; R80-K84 WeakPolarHBondContact O-CB 3.36Å; R80-K84 PolarHBondContact O-N 2.68Å
81	K	48.8	Very low	41.5	Very low	165 Å²	165	91.4 Å²	91.4	72%	0.717	49%	0.493	S	S	*	.	H	α-helix	trans	-70.1	-44	169.4	-75.3	-170.4	174.3	-170.5	0	112.3	A77 L78 L79 K84 A85	A77-K81 PolarHBondContact O-N 2.83Å; A77-K81 VanDerWaalsContact O-N 3.11Å; L78-K81 PolarHBondContact O-N 2.59Å; L79-K81 PolarHBondContact O-N 2.99Å; K81-K84 PolarHBondContact O-N 2.83Å; K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.26Å; K81-A85 PolarHBondContact O-N 2.93Å
82	L	40.6	Very low	41.5	Very low	53 Å²	53	94 Å²	94	28%	0.277	50%	0.504	S	S	.	.	H	α-helix	trans	-67	-41.1	177.2	-73.3	167.3	0	0	0	112.6	L78 L79 A85 T86 L168	L78-L82 HydrophobicContact CG-CD1 4.25Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.72Å; L79-L82 CarbonylContact O-C 3.39Å; L79-L82 PolarHBondContact O-N 2.9Å; L82-A85 PolarHBondContact O-N 2.94Å; L82-T86 PolarHBondContact O-N 2.94Å; L82-T86 PolarHBondContact O-OG1 3.1Å; L82-L168 HydrophobicContact CD1-CD1 4.01Å
83	E	44.4	Very low	41.2	Very low	97 Å²	97	94.9 Å²	94.9	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-47.6	173.8	-71.9	177.1	147	0	0	110.6	L79 A85 T86 S87	L79-E83 HydrophobicContact CD2-CG 4.19Å; L79-E83 WeakPolarHBondContact O-CG 3.44Å; L79-E83 PolarHBondContact O-N 3.01Å; E83-A85 PolarHBondContact O-N 3.45Å; E83-T86 PolarHBondContact O-N 2.86Å; E83-T86 PolarHBondContact O-OG1 2.73Å; E83-S87 PolarHBondContact O-N 3.46Å; E83-S87 PolarHBondContact O-OG 2.97Å
84	K	51.1	Low	40.6	Very low	162 Å²	162	100 Å²	100	70%	0.704	53%	0.53	S	S	*	.	H	α-helix	trans	-58.9	-46.1	175.7	-171.8	175.5	-178.5	-178.9	0	111.7	R80 K81 T86 S87 S88	R80-K84 VanDerWaalsContact O-CB 3.26Å; R80-K84 WeakPolarHBondContact O-CB 3.36Å; R80-K84 PolarHBondContact O-N 2.68Å; K81-K84 PolarHBondContact O-N 2.83Å; K84-T86 VanDerWaalsContact C-N 3.29Å; K84-T86 PolarHBondContact O-N 3.21Å; K84-S87 WeakPolarHBondContact CA-OG 3.22Å; K84-S87 PolarHBondContact O-N 3.49Å; K84-S87 PolarHBondContact O-OG 3.16Å; K84-S88 PolarHBondContact O-N 3.23Å; K84-S88 PolarHBondContact O-OG 2.89Å
85	A	40.3	Very low	40.4	Very low	41 Å²	41	105.4 Å²	105.4	34%	0.339	55%	0.55	S	S	.	.	H	α-helix	trans	-63.9	-30.1	178.5	0	0	0	0	0	113.4	K81 L82 E83 S88 F89	K81-A85 VanDerWaalsContact O-CB 3.31Å; K81-A85 WeakPolarHBondContact O-CB 3.26Å; K81-A85 PolarHBondContact O-N 2.93Å; L82-A85 PolarHBondContact O-N 2.94Å; E83-A85 PolarHBondContact O-N 3.45Å; A85-S88 PolarHBondContact O-OG 2.92Å; A85-F89 WeakPolarHBondContact O-CD2 3.36Å
86	T	36.3	Very low	40.1	Very low	64 Å²	64	109.5 Å²	109.5	39%	0.393	57%	0.572	S	S	.	*	H	α-helix	trans	-85.1	-29.1	176.1	42	0	0	0	0	113.4	L82 E83 K84 S88 F89 V161	L82-T86 PolarHBondContact O-N 2.94Å; L82-T86 PolarHBondContact O-OG1 3.1Å; E83-T86 PolarHBondContact O-N 2.86Å; E83-T86 PolarHBondContact O-OG1 2.73Å; K84-T86 VanDerWaalsContact C-N 3.29Å; K84-T86 PolarHBondContact O-N 3.21Å; T86-S88 PolarHBondContact O-N 2.85Å; T86-F89 PolarHBondContact O-N 2.88Å; T86-F89 VanDerWaalsContact O-N 3.11Å; T86-V161 HydrophobicContact CG2-CG2 3.9Å
87	S	39.7	Very low	39.2	Very low	76 Å²	76	114.6 Å²	114.6	53%	0.531	59%	0.594	S	S	.	*	H	α-helix	trans	-66.5	-22.5	171.7	58.1	0	0	0	0	113.9	E83 K84 F89 S90	E83-S87 PolarHBondContact O-N 3.46Å; E83-S87 PolarHBondContact O-OG 2.97Å; K84-S87 WeakPolarHBondContact CA-OG 3.22Å; K84-S87 PolarHBondContact O-N 3.49Å; K84-S87 PolarHBondContact O-OG 3.16Å; S87-F89 VanDerWaalsContact C-N 3.26Å; S87-F89 PolarHBondContact O-N 3.35Å; S87-S90 PolarHBondContact O-OG 2.79Å
88	S	38.4	Very low	38.5	Very low	93 Å²	93	119.1 Å²	119.1	65%	0.65	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-2.9	171.2	38.4	0	0	0	0	114.8	K84 A85 T86	K84-S88 PolarHBondContact O-N 3.23Å; K84-S88 PolarHBondContact O-OG 2.89Å; A85-S88 PolarHBondContact O-OG 2.92Å; T86-S88 PolarHBondContact O-N 2.85Å
89	F	32.6	Very low	38	Very low	133 Å²	133	119.4 Å²	119.4	58%	0.583	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	4.3	179	-91.7	-74.8	0	0	0	114.5	A85 T86 S87 D120 E121	A85-F89 WeakPolarHBondContact O-CD2 3.36Å; T86-F89 PolarHBondContact O-N 2.88Å; T86-F89 VanDerWaalsContact O-N 3.11Å; S87-F89 VanDerWaalsContact C-N 3.26Å; S87-F89 PolarHBondContact O-N 3.35Å; F89-D120 HydrophobicContact CE1-CB 4.28Å; F89-E121 WeakPolarHBondContact CZ-O 3.5Å
90	S	31.9	Very low	37.4	Very low	76 Å²	76	120.9 Å²	120.9	53%	0.531	66%	0.664	S	S	.	*			trans	-128.7	60.8	-168	64.2	0	0	0	0	114.4	S87	S87-S90 PolarHBondContact O-OG 2.79Å
91	H	29.6	Very low	36.5	Very low	157 Å²	157	117.5 Å²	117.5	73%	0.727	67%	0.671	S	S	*	*			trans	-155.4	105.3	159.7	-106.4	-83.2	0	0	0	110.3	D93	H91-D93 IonicContact CE1-OD1 3.34Å; H91-D93 IonicContact CE1-OD2 3.84Å; H91-D93 IonicContact CG-OD2 3.74Å; H91-D93 IonicContact ND1-OD1 2.68Å; H91-D93 PolarHBondContact ND1-OD1 3.24Å; H91-D93 IonicContact ND1-OD2 2.84Å; H91-D93 PolarHBondContact ND1-OD2 3.39Å
92	P	33.7	Very low	35.9	Very low	122 Å²	122	115.2 Å²	115.2	79%	0.792	68%	0.676	S	S	*	*			trans	-115.6	75.5	171.5	36.7	-22.6	0	0	0	110.2	F94	P92-F94 PolarHBondContact O-N 3.12Å
93	D	32.9	Very low	35.8	Very low	127 Å²	127	116.9 Å²	116.9	68%	0.679	69%	0.692	S	S	*	*			trans	-86.6	108	-175.6	-55.4	-50.2	0	0	0	111.1	H91	H91-D93 IonicContact CE1-OD1 3.34Å; H91-D93 IonicContact CE1-OD2 3.84Å; H91-D93 IonicContact CG-OD2 3.74Å; H91-D93 IonicContact ND1-OD1 2.68Å; H91-D93 PolarHBondContact ND1-OD1 3.24Å; H91-D93 IonicContact ND1-OD2 2.84Å; H91-D93 PolarHBondContact ND1-OD2 3.39Å
94	F	30.3	Very low	35.5	Very low	206 Å²	206	118.6 Å²	118.6	90%	0.904	70%	0.704	S	S	*	*			trans	-121.5	107.7	163.3	-102	-90.3	0	0	0	106.6	P92	P92-F94 PolarHBondContact O-N 3.12Å
95	E	35.8	Very low	34.9	Very low	201 Å²	201	117.6 Å²	117.6	94%	0.939	71%	0.707	S	S	*	*			trans	-124.8	151.4	162.2	-72	-160.5	143.8	0	0	109.3
96	D	35.9	Very low	34.6	Very low	163 Å²	163	122.3 Å²	122.3	87%	0.872	73%	0.726	S	S	*	*			trans	-102	171.1	-162.3	-156	-3.9	0	0	0	112.1
97	D	31.9	Very low	34.8	Very low	140 Å²	140	124.4 Å²	124.4	75%	0.749	74%	0.739	S	S	*	*			trans	-53.1	139.2	-170.6	-111.5	-38.9	0	0	0	115.6
98	T	36.2	Very low	34.6	Very low	142 Å²	142	129.2 Å²	129.2	87%	0.871	75%	0.751	S	S	*	*				-178.8	96.2	125.9	23	0	0	0	0	115.5
99	G	32.6	Very low	34.5	Very low	81 Å²	81	131 Å²	131	84%	0.835	75%	0.753	S	S	*	*			trans	65	141.9	141.4	0	0	0	0	0	121.6
100	G	31.4	Very low	34.6	Very low	76 Å²	76	129.6 Å²	129.6	78%	0.784	76%	0.755	S	S	*	*			trans	-173.5	-16.8	176.3	0	0	0	0	0	123.6
101	A	32.8	Very low	34.8	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	77%	0.768	S	S	*	*			trans	59.6	146.8	168.7	0	0	0	0	0	121.4
102	S	35.7	Very low	35	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	77%	0.774	S	S	*	*			trans	64.7	144.6	165.5	72.8	0	0	0	0	116.2
103	S	37.7	Very low	35	Very low	89 Å²	89	135.9 Å²	135.9	62%	0.622	78%	0.776	S	S	*	*			cis	160.2	149.8	2	47.1	0	0	0	0	104.4
104	D	38.7	Very low	34.8	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	78%	0.778	S	S	*	*			cis	-162.3	166.4	-7.8	-81.8	-28	0	0	0	106.8
105	N	37.8	Very low	34.6	Very low	142 Å²	142	129 Å²	129	76%	0.759	77%	0.773	S	S	*	*			trans	69.6	151.1	166.2	-43.4	-41.8	0	0	0	116.1
106	D	35.8	Very low	34.4	Very low	140 Å²	140	123.8 Å²	123.8	75%	0.749	77%	0.765	S	S	*	*			cis	-170	167.6	-12.3	-100.7	-12.7	0	0	0	108
107	V	39.9	Very low	34.1	Very low	107 Å²	107	123 Å²	123	65%	0.648	76%	0.758	S	S	*	*			cis	-169.9	168.1	-45.2	100.4	0	0	0	0	108.3
108	F	35.9	Very low	33.9	Very low	178 Å²	178	126.3 Å²	126.3	78%	0.781	77%	0.765	S	S	*	*			trans	70.5	135.8	-173.4	-62.3	-82.5	0	0	0	116.2
109	D	35.3	Very low	33.7	Very low	131 Å²	131	126.7 Å²	126.7	70%	0.701	76%	0.757	S	S	*	*			cis	-155.7	170.2	-15.3	-127.8	16.3	0	0	0	113.3
110	T	35.6	Very low	33.6	Very low	102 Å²	102	127.6 Å²	127.6	63%	0.626	74%	0.742	S	S	*	*			trans	-61.6	170.4	178.5	46.6	0	0	0	0	115.4
111	E	35.3	Very low	33.6	Very low	173 Å²	173	130.5 Å²	130.5	81%	0.808	74%	0.736	S	S	*	*			cis	-154.3	171.1	-5.2	-110.6	145.8	-156.6	0	0	105.3
112	D	35	Very low	33.4	Very low	158 Å²	158	128.6 Å²	128.6	85%	0.845	73%	0.725	S	S	*	*				-165.5	-179.8	50.4	-162.5	-8	0	0	0	109.9
113	D	32.5	Very low	33.1	Very low	156 Å²	156	128.3 Å²	128.3	83%	0.834	71%	0.713	S	S	*	*			trans	-89.3	161.2	-152.4	-130.5	-34	0	0	0	118.4
114	G	29.4	Very low	32.9	Very low	71 Å²	71	128.4 Å²	128.4	73%	0.732	71%	0.705	S	S	*	*			trans	162	56	175.4	0	0	0	0	0	119.2	A116	G114-A116 PolarHBondContact O-N 3.48Å
115	C	26.2	Very low	32.5	Very low	118 Å²	118	126 Å²	126	80%	0.797	69%	0.692	S	S	*	*			trans	-70.1	115.2	-175.4	-172.3	0	0	0	0	115.2
116	A	30.4	Very low	32.1	Very low	92 Å²	92	126.1 Å²	126.1	76%	0.76	69%	0.692	S	S	*	*			trans	-104.5	119.8	174.6	0	0	0	0	0	112.8	G114 K118	G114-A116 PolarHBondContact O-N 3.48Å; A116-K118 PolarHBondContact O-N 3.44Å
117	M	29.5	Very low	31.7	Very low	147 Å²	147	123.7 Å²	123.7	72%	0.724	69%	0.691	S	S	*	*			trans	-63.9	127.8	-177.8	-72.6	-73.3	169.5	0	0	113.3
118	K	28.5	Very low	31.1	Very low	209 Å²	209	123.5 Å²	123.5	91%	0.909	69%	0.691	S	S	*	*			trans	-72.8	124.7	165.1	-67.9	173.8	-177.7	167.4	0	108.8	A116	A116-K118 PolarHBondContact O-N 3.44Å
119	H	31.4	Very low	30.6	Very low	150 Å²	150	120.3 Å²	120.3	69%	0.694	69%	0.691	S	S	*	*			trans	-118.4	137.9	178.5	-70.9	-56.3	0	0	0	111.4
120	D	30.6	Very low	30.2	Very low	99 Å²	99	119.7 Å²	119.7	53%	0.529	70%	0.696	S	S	.	*	P	Polyproline II helix	trans	-76.5	130.1	-171.1	-10.1	-98.1	0	0	0	112.9	F89 K182	F89-D120 HydrophobicContact CE1-CB 4.28Å; D120-K182 WeakPolarHBondContact O-CD 3.34Å; D120-K182 WeakPolarHBondContact O-CE 3.4Å; D120-K182 PolarHBondContact O-NZ 2.98Å; D120-K182 IonicContact OD2-NZ 3.65Å; D120-K182 PolarHBondContact OD2-NZ 3.37Å
121	E	31.3	Very low	29.8	Very low	138 Å²	138	118.8 Å²	118.8	65%	0.645	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-86.6	119.9	174.5	-61.8	-170.4	143.3	0	0	111.9	F89	F89-E121 WeakPolarHBondContact CZ-O 3.5Å
122	G	28.9	Very low	29.4	Very low	52 Å²	52	119.3 Å²	119.3	54%	0.536	70%	0.702	S	S	.	*	P	Polyproline II helix	trans	-88.3	134.5	174.9	0	0	0	0	0	112.4
123	I	30.2	Very low	29	Very low	110 Å²	110	119.2 Å²	119.2	56%	0.564	70%	0.701	S	S	*	*			trans	-108	119.1	175.2	-55.7	176.6	0	0	0	109.9	L125	I123-L125 HydrophobicContact CG2-CG 4.39Å
124	I	32.7	Very low	28.6	Very low	91 Å²	91	116.4 Å²	116.4	47%	0.467	69%	0.693	S	S	.	*			trans	-99.4	136.3	170.3	-61.7	178.2	0	0	0	109.2
125	L	29.4	Very low	28.5	Very low	82 Å²	82	119.1 Å²	119.1	43%	0.429	70%	0.697	S	S	.	*			trans	-120.9	114.4	-178.9	-81	158.1	0	0	0	110.5	I123 L164 L177	I123-L125 HydrophobicContact CG2-CG 4.39Å; L125-L164 HydrophobicContact CD1-CD1 3.99Å; L125-L164 HydrophobicContact CD1-CD2 3.59Å; L125-L164 HydrophobicContact CD1-CG 4.43Å; L125-L164 HydrophobicContact CD2-CD1 4.49Å; L125-L177 HydrophobicContact CD2-CD2 3.81Å
126	L	29.4	Very low	28.7	Very low	144 Å²	144	122.4 Å²	122.4	75%	0.754	70%	0.701	S	S	*	*			trans	-104.3	132.3	167.9	-72	170.4	0	0	0	109.4
127	A	27.8	Very low	28.5	Very low	89 Å²	89	122.6 Å²	122.6	74%	0.736	70%	0.697	S	S	*	*			trans	-135.7	128.4	179.4	0	0	0	0	0	110.4
128	T	28.4	Very low	28.5	Very low	104 Å²	104	121.6 Å²	121.6	64%	0.638	70%	0.702	S	S	*	*			trans	-112.4	131.9	176.2	51.8	0	0	0	0	109.9
129	S	25.2	Very low	28.6	Very low	111 Å²	111	118 Å²	118	78%	0.776	70%	0.697	S	S	*	*			trans	-101.8	107.2	-179.2	61.2	0	0	0	0	111.3
130	S	26.6	Very low	28.5	Very low	117 Å²	117	121.8 Å²	121.8	82%	0.818	71%	0.707	S	S	*	*			trans	-115.5	57.1	179.6	49.6	0	0	0	0	112.6
131	S	27	Very low	28.5	Very low	84 Å²	84	120.5 Å²	120.5	59%	0.587	72%	0.717	S	S	*	*			trans	-141.8	103.9	173.2	45.7	0	0	0	0	112.7	L133	S131-L133 PolarHBondContact O-N 3.01Å; S131-L133 VanDerWaalsContact O-N 3.13Å
132	L	26.3	Very low	28.4	Very low	184 Å²	184	121.5 Å²	121.5	96%	0.963	73%	0.726	S	S	*	*			trans	-71.1	97.4	157.6	-84.2	163	0	0	0	108.1	S134	L132-S134 PolarHBondContact O-N 3.17Å
133	L	26.2	Very low	28.5	Very low	156 Å²	156	127.9 Å²	127.9	82%	0.817	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.7	123.4	165.3	-83.9	165.2	0	0	0	108.9	S131	S131-L133 PolarHBondContact O-N 3.01Å; S131-L133 VanDerWaalsContact O-N 3.13Å
134	S	25	Very low	28.6	Very low	96 Å²	96	127.9 Å²	127.9	67%	0.671	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-60.3	134.6	174.4	49.9	0	0	0	0	110.3	L132 E136	L132-S134 PolarHBondContact O-N 3.17Å; S134-E136 PolarHBondContact O-N 2.84Å
135	P	27.9	Very low	28.5	Very low	128 Å²	128	127 Å²	127	83%	0.831	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-68.5	116.3	178.5	28.1	-33.6	0	0	0	110.1	S137	P135-S137 PolarHBondContact O-N 3.36Å
136	E	29.7	Very low	28.6	Very low	188 Å²	188	128.5 Å²	128.5	88%	0.879	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.4	170.3	-67.9	-170	137.8	0	0	109.6	S134	S134-E136 PolarHBondContact O-N 2.84Å
137	S	26.9	Very low	28.7	Very low	96 Å²	96	125.2 Å²	125.2	67%	0.671	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.7	129.2	176.3	51.4	0	0	0	0	110.3	P135 V139	P135-S137 PolarHBondContact O-N 3.36Å; S137-V139 PolarHBondContact O-N 3.11Å
138	P	28.4	Very low	28.7	Very low	126 Å²	126	128.7 Å²	128.7	82%	0.818	80%	0.803	S	S	*	*			trans	-71.2	105.3	-175.1	28.2	-34.5	0	0	0	111.3
139	V	32.1	Very low	28.9	Very low	134 Å²	134	131.8 Å²	131.8	81%	0.812	82%	0.815	S	S	*	*			trans	-82.2	123.8	170	179.7	0	0	0	0	108.9	S137	S137-V139 PolarHBondContact O-N 3.11Å
140	Y	28.7	Very low	28.8	Very low	229 Å²	229	134.3 Å²	134.3	90%	0.898	82%	0.819	S	S	*	*			trans	-62.7	133.8	174.4	-97.9	-116.7	0	0	0	111.5
141	G	29.7	Very low	28.9	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	81%	0.812	S	S	*	*			trans	177.7	108.8	171.7	0	0	0	0	0	111.6
142	N	30.3	Very low	29	Very low	158 Å²	158	135.2 Å²	135.2	85%	0.845	82%	0.818	S	S	*	*			trans	-95.1	178.1	-177.4	-84.3	-18.6	0	0	0	112.7
143	E	31.6	Very low	29	Very low	187 Å²	187	132.2 Å²	132.2	87%	0.874	81%	0.813	S	S	*	*			trans	91.2	101.8	170.8	-56	-175.9	-171.4	0	0	113.8
144	A	31	Very low	29.2	Very low	110 Å²	110	130.4 Å²	130.4	91%	0.909	81%	0.813	S	S	*	*			cis	86.5	117.8	29	0	0	0	0	0	115.1
145	G	31.5	Very low	29.4	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	82%	0.819	S	S	*	*			trans	153.1	81	-172.9	0	0	0	0	0	108.6
146	A	30.7	Very low	29.7	Very low	112 Å²	112	129.5 Å²	129.5	93%	0.926	81%	0.81	S	S	*	*				76.9	119.4	75.2	0	0	0	0	0	112.6
147	G	31.3	Very low	29.7	Very low	76 Å²	76	127 Å²	127	78%	0.784	81%	0.807	S	S	*	*			trans	161.5	101.6	-177.3	0	0	0	0	0	110.9
148	D	28.7	Very low	30.1	Very low	161 Å²	161	130.4 Å²	130.4	86%	0.861	81%	0.81	S	S	*	*			trans	-71.5	154	-179.6	-57.3	-82.4	0	0	0	113
149	L	32.4	Very low	30.5	Very low	170 Å²	170	126.7 Å²	126.7	89%	0.89	79%	0.787	S	S	*	*			trans	-174.7	130.7	141.3	-103.1	162.9	0	0	0	111
150	L	23.2	Very low	30.7	Very low	163 Å²	163	125.3 Å²	125.3	85%	0.853	78%	0.781	S	S	*	*			trans	-98.9	131.8	172.6	-87.2	166.6	0	0	0	111.1
151	P	29	Very low	31.2	Very low	104 Å²	104	116 Å²	116	68%	0.675	75%	0.747	S	S	*	*			trans	-119.1	114	145.9	5.4	16.1	0	0	0	109.5
152	T	29	Very low	31.9	Very low	116 Å²	116	118.3 Å²	118.3	71%	0.712	74%	0.737	S	S	*	*				54	90.7	84.1	67.2	0	0	0	0	114.6
153	S	25.9	Very low	32.5	Very low	122 Å²	122	117.5 Å²	117.5	85%	0.853	73%	0.728	S	S	*	*			trans	24.7	96.4	143	57.2	0	0	0	0	118.8
154	S	30.8	Very low	32.8	Very low	117 Å²	117	110.8 Å²	110.8	82%	0.818	70%	0.698	S	S	*	*			trans	-146.7	149.3	150.9	72	0	0	0	0	112.2
155	S	28.4	Very low	33.4	Very low	114 Å²	114	107.5 Å²	107.5	80%	0.797	67%	0.665	S	S	*	*			trans	-62.2	137.7	-176.5	49.7	0	0	0	0	114.7
156	S	34.2	Very low	34.1	Very low	91 Å²	91	111.8 Å²	111.8	64%	0.636	66%	0.663	S	S	*	*				-163.2	125	126.2	47.1	0	0	0	0	111.4	K158	S156-K158 PolarHBondContact O-N 3.15Å
157	V	30.6	Very low	34.5	Very low	136 Å²	136	108.3 Å²	108.3	82%	0.824	63%	0.634	S	S	*	*			trans	-63.3	132.6	169.6	177.4	0	0	0	0	108.2	S159	V157-S159 PolarHBondContact O-N 2.66Å
158	K	34.8	Very low	34.9	Very low	167 Å²	167	107 Å²	107	73%	0.726	61%	0.609	S	S	*	*			trans	-75.7	77.9	172.8	-71.7	-179.4	-178.5	172.5	0	109.4	S156	S156-K158 PolarHBondContact O-N 3.15Å
159	S	37.2	Very low	35.8	Very low	48 Å²	48	103.9 Å²	103.9	34%	0.336	60%	0.596	S	S	.	*			trans	-41.4	146.8	173.1	166.4	0	0	0	0	111.7	V157 V161 K162 Q163	V157-S159 PolarHBondContact O-N 2.66Å; S159-V161 PolarHBondContact O-N 2.87Å; S159-V161 VanDerWaalsContact O-N 3.12Å; S159-V161 WeakPolarHBondContact OG-CB 3.45Å; S159-V161 WeakPolarHBondContact OG-CG2 3.49Å; S159-V161 PolarHBondContact OG-N 3.38Å; S159-V161 VanDerWaalsContact OG-N 3.17Å; S159-K162 WeakPolarHBondContact O-CA 3.33Å; S159-K162 WeakPolarHBondContact O-CB 3.26Å; S159-K162 PolarHBondContact O-N 3.02Å; S159-Q163 PolarHBondContact O-N 3.49Å
160	P	36.1	Very low	36.2	Very low	106 Å²	106	99.4 Å²	99.4	69%	0.688	58%	0.579	S	S	*	*	H	α-helix	trans	-48.9	-35.7	170	-28	35.9	0	0	0	112.8	K162 Q163 L164	P160-K162 PolarHBondContact O-N 2.77Å; P160-Q163 PolarHBondContact O-N 3.21Å; P160-L164 WeakPolarHBondContact O-CB 3.49Å; P160-L164 PolarHBondContact O-N 2.81Å
161	V	39.1	Very low	36.7	Very low	32 Å²	32	94.9 Å²	94.9	19%	0.194	57%	0.572	C	S	.	*	H	α-helix	trans	-56.8	-35.9	173.8	-174.8	0	0	0	0	111.8	T86 S159 L165	T86-V161 HydrophobicContact CG2-CG2 3.9Å; S159-V161 PolarHBondContact O-N 2.87Å; S159-V161 VanDerWaalsContact O-N 3.12Å; S159-V161 WeakPolarHBondContact OG-CB 3.45Å; S159-V161 WeakPolarHBondContact OG-CG2 3.49Å; S159-V161 PolarHBondContact OG-N 3.38Å; S159-V161 VanDerWaalsContact OG-N 3.17Å; V161-L165 HydrophobicContact CG1-CD1 4.37Å; V161-L165 VanDerWaalsContact O-CB 3.25Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 3.37Å
162	K	44.1	Very low	36.8	Very low	122 Å²	122	92 Å²	92	53%	0.53	56%	0.555	S	S	.	*	H	α-helix	trans	-78	-18.8	178.8	-146.6	165.6	-169.6	166.6	0	113.1	S159 P160	S159-K162 WeakPolarHBondContact O-CA 3.33Å; S159-K162 WeakPolarHBondContact O-CB 3.26Å; S159-K162 PolarHBondContact O-N 3.02Å; P160-K162 PolarHBondContact O-N 2.77Å
163	Q	43.2	Very low	36.9	Very low	140 Å²	140	96.6 Å²	96.6	65%	0.654	56%	0.559	S	S	*	*	H	α-helix	trans	-85.2	-44.9	168.8	-59.7	-165.6	32.2	0	0	111.3	S159 P160 L165 K166 A167	S159-Q163 PolarHBondContact O-N 3.49Å; P160-Q163 PolarHBondContact O-N 3.21Å; Q163-L165 PolarHBondContact O-N 2.95Å; Q163-K166 WeakPolarHBondContact O-CA 3.25Å; Q163-K166 WeakPolarHBondContact O-CB 3.21Å; Q163-K166 PolarHBondContact O-N 2.98Å; Q163-A167 PolarHBondContact O-N 2.95Å
164	L	38.7	Very low	37.1	Very low	47 Å²	47	94.6 Å²	94.6	25%	0.246	54%	0.538	C	S	.	.	H	α-helix	trans	-52.7	-44.9	169.7	177	63.7	0	0	0	110.7	L125 P160 K166 A167 L168	L125-L164 HydrophobicContact CD1-CD1 3.99Å; L125-L164 HydrophobicContact CD1-CD2 3.59Å; L125-L164 HydrophobicContact CD1-CG 4.43Å; L125-L164 HydrophobicContact CD2-CD1 4.49Å; P160-L164 WeakPolarHBondContact O-CB 3.49Å; P160-L164 PolarHBondContact O-N 2.81Å; L164-K166 VanDerWaalsContact C-N 3.28Å; L164-K166 PolarHBondContact O-N 2.98Å; L164-A167 CarbonylContact O-C 3.58Å; L164-A167 WeakPolarHBondContact O-CB 3.38Å; L164-A167 PolarHBondContact O-N 3.31Å; L164-L168 HydrophobicContact CD1-CD1 4.18Å; L164-L168 HydrophobicContact CD1-CG 4.14Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.88Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.16Å
165	L	42.4	Very low	37	Very low	41 Å²	41	94.6 Å²	94.6	22%	0.215	53%	0.533	C	S	.	.	H	α-helix	trans	-54.6	-42	172.8	-93.7	163.7	0	0	0	113.5	L79 V161 Q163 A167 L168 T169	L79-L165 HydrophobicContact CD1-CD2 3.79Å; L79-L165 HydrophobicContact CD2-CD1 3.84Å; L79-L165 HydrophobicContact CD2-CD2 3.47Å; L79-L165 VanDerWaalsContact CD2-CD2 3.47Å; L79-L165 HydrophobicContact CD2-CG 4.14Å; L79-L165 HydrophobicContact CG-CD2 3.58Å; V161-L165 HydrophobicContact CG1-CD1 4.37Å; V161-L165 VanDerWaalsContact O-CB 3.25Å; V161-L165 WeakPolarHBondContact O-CB 3.36Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 3.37Å; Q163-L165 PolarHBondContact O-N 2.95Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-L168 PolarHBondContact O-N 2.82Å; L165-T169 WeakPolarHBondContact O-CB 3.37Å; L165-T169 WeakPolarHBondContact O-CG2 3.45Å; L165-T169 PolarHBondContact O-N 3.06Å; L165-T169 PolarHBondContact O-OG1 2.89Å
166	K	45.7	Very low	37	Very low	163 Å²	163	94.1 Å²	94.1	71%	0.709	53%	0.525	S	S	*	.	H	α-helix	trans	-68.1	-35	177.7	-160	-172.8	179	-166.8	0	111.5	Q163 L164 T169 S170	Q163-K166 WeakPolarHBondContact O-CA 3.25Å; Q163-K166 WeakPolarHBondContact O-CB 3.21Å; Q163-K166 PolarHBondContact O-N 2.98Å; L164-K166 VanDerWaalsContact C-N 3.28Å; L164-K166 PolarHBondContact O-N 2.98Å; K166-T169 PolarHBondContact O-OG1 3.17Å; K166-S170 VanDerWaalsContact O-CB 3.28Å; K166-S170 WeakPolarHBondContact O-CB 3.32Å; K166-S170 PolarHBondContact O-N 3.18Å; K166-S170 VanDerWaalsContact O-N 3.12Å; K166-S170 PolarHBondContact O-OG 2.79Å
167	A	39.7	Very low	36.7	Very low	39 Å²	39	94 Å²	94	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-72	-40.3	174.6	0	0	0	0	0	112.8	Q163 L164 L165 T169 S170 S172	Q163-A167 PolarHBondContact O-N 2.95Å; L164-A167 CarbonylContact O-C 3.58Å; L164-A167 WeakPolarHBondContact O-CB 3.38Å; L164-A167 PolarHBondContact O-N 3.31Å; L165-A167 VanDerWaalsContact C-N 3.33Å; A167-T169 VanDerWaalsContact C-N 3.35Å; A167-S170 PolarHBondContact O-N 3.41Å; A167-S170 PolarHBondContact O-OG 3.03Å; A167-S172 VanDerWaalsContact O-CB 3.27Å; A167-S172 WeakPolarHBondContact O-CB 3.44Å; A167-S172 PolarHBondContact O-OG 2.82Å
168	L	39.6	Very low	36.8	Very low	49 Å²	49	95.2 Å²	95.2	26%	0.257	51%	0.511	S	S	.	.	H	α-helix	trans	-68.1	-33.3	175.9	-67.4	173.9	0	0	0	112.1	L82 L164 L165 L174	L82-L168 HydrophobicContact CD1-CD1 4.01Å; L164-L168 HydrophobicContact CD1-CD1 4.18Å; L164-L168 HydrophobicContact CD1-CG 4.14Å; L164-L168 HydrophobicContact CD2-CD1 4.48Å; L164-L168 HydrophobicContact CG-CD1 3.88Å; L164-L168 HydrophobicContact CG-CG 4.27Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.16Å; L165-L168 PolarHBondContact O-N 2.82Å; L168-L174 HydrophobicContact CD2-CD1 4.11Å
169	T	47.2	Very low	36.5	Very low	94 Å²	94	92.1 Å²	92.1	58%	0.577	51%	0.508	S	S	*	.	H	α-helix	trans	-85.7	-11.4	176.7	52.4	0	0	0	0	114.2	L165 K166 A167 G171	L165-T169 WeakPolarHBondContact O-CB 3.37Å; L165-T169 WeakPolarHBondContact O-CG2 3.45Å; L165-T169 PolarHBondContact O-N 3.06Å; L165-T169 PolarHBondContact O-OG1 2.89Å; K166-T169 PolarHBondContact O-OG1 3.17Å; A167-T169 VanDerWaalsContact C-N 3.35Å; T169-G171 PolarHBondContact O-N 3.49Å; T169-G171 VanDerWaalsContact O-N 3.12Å
170	S	42.3	Very low	36.2	Very low	76 Å²	76	92 Å²	92	53%	0.531	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	20.1	-179.9	66.2	0	0	0	0	115	K166 A167 S172	K166-S170 VanDerWaalsContact O-CB 3.28Å; K166-S170 WeakPolarHBondContact O-CB 3.32Å; K166-S170 PolarHBondContact O-N 3.18Å; K166-S170 VanDerWaalsContact O-N 3.12Å; K166-S170 PolarHBondContact O-OG 2.79Å; A167-S170 PolarHBondContact O-N 3.41Å; A167-S170 PolarHBondContact O-OG 3.03Å; S170-S172 VanDerWaalsContact C-N 3.28Å; S170-S172 PolarHBondContact O-N 3.24Å; S170-S172 PolarHBondContact OG-OG 2.82Å; S170-S172 VanDerWaalsContact OG-OG 3.08Å
171	G	32.3	Very low	35.9	Very low	69 Å²	69	89.4 Å²	89.4	71%	0.711	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	11	-178	0	0	0	0	0	114.9	T169 R173	T169-G171 PolarHBondContact O-N 3.49Å; T169-G171 VanDerWaalsContact O-N 3.12Å; G171-R173 PolarHBondContact O-N 3.06Å
172	S	32.4	Very low	35.4	Very low	44 Å²	44	93.7 Å²	93.7	31%	0.308	50%	0.503	S	S	.	.			trans	-66	128.4	178.6	-49	0	0	0	0	111	A167 S170 L174	A167-S172 VanDerWaalsContact O-CB 3.27Å; A167-S172 WeakPolarHBondContact O-CB 3.44Å; A167-S172 PolarHBondContact O-OG 2.82Å; S170-S172 VanDerWaalsContact C-N 3.28Å; S170-S172 PolarHBondContact O-N 3.24Å; S170-S172 PolarHBondContact OG-OG 2.82Å; S170-S172 VanDerWaalsContact OG-OG 3.08Å; S172-L174 PolarHBondContact O-N 3.35Å
173	R	29.7	Very low	34.9	Very low	211 Å²	211	98.6 Å²	98.6	80%	0.796	52%	0.519	S	S	*	.			trans	-73.7	113.7	168.7	-94.7	-176.8	165.6	-177.5	-5.3	109.4	G171 V175	G171-R173 PolarHBondContact O-N 3.06Å; R173-V175 PolarHBondContact O-N 3.34Å
174	L	30.2	Very low	34.4	Very low	81 Å²	81	98 Å²	98	42%	0.424	52%	0.516	S	S	.	.			trans	-69	124.3	165.1	-164.4	77.4	0	0	0	108.4	L168 S172 L177	L168-L174 HydrophobicContact CD2-CD1 4.11Å; S172-L174 PolarHBondContact O-N 3.35Å; L174-L177 HydrophobicContact CD2-CD1 3.81Å; L174-L177 HydrophobicContact CD2-CG 4.07Å
175	V	28.8	Very low	34	Very low	117 Å²	117	99.6 Å²	99.6	71%	0.709	52%	0.524	S	S	*	.			trans	-84.9	-57	-173.9	-176.7	0	0	0	0	111	R173	R173-V175 PolarHBondContact O-N 3.34Å
176	T	29.7	Very low	33.4	Very low	103 Å²	103	102.8 Å²	102.8	63%	0.632	55%	0.549	S	S	*	.			trans	-149	154.2	178.6	-37	0	0	0	0	110.6
177	L	27.3	Very low	32.5	Very low	90 Å²	90	102.5 Å²	102.5	47%	0.471	55%	0.55	S	S	.	*			trans	-129.1	130.4	160.9	-84.2	170.6	0	0	0	108.3	L125 L174	L125-L177 HydrophobicContact CD2-CD2 3.81Å; L174-L177 HydrophobicContact CD2-CD1 3.81Å; L174-L177 HydrophobicContact CD2-CG 4.07Å
178	K	31.4	Very low	32	Very low	161 Å²	161	108.9 Å²	108.9	70%	0.7	57%	0.57	S	S	*	*			trans	-133.2	129.7	164.6	-83.1	-173.2	172.4	-178.8	0	108.4
179	P	29.7	Very low	31.6	Very low	101 Å²	101	115.9 Å²	115.9	66%	0.656	60%	0.601	S	S	*	*			trans	-67.3	150.4	160.4	31.5	-32.6	0	0	0	109
180	I	30.1	Very low	30.8	Very low	47 Å²	47	116.9 Å²	116.9	24%	0.241	61%	0.607	C	S	.	*			trans	-121.6	131.2	174.6	-49.5	169.5	0	0	0	106.6	E184 L185 M195	I180-E184 HydrophobicContact CG2-CB 4.32Å; I180-L185 HydrophobicContact CG2-CD1 3.67Å; I180-M195 HydrophobicContact CD1-CE 3.65Å; I180-M195 HydrophobicContact CD1-SD 3.67Å; I180-M195 HydrophobicContact CG1-CE 4.09Å; I180-M195 HydrophobicContact CG1-SD 4.43Å
181	S	30.3	Very low	30.4	Very low	51 Å²	51	119 Å²	119	36%	0.357	62%	0.619	S	S	.	*			trans	-77.4	145.1	177.1	74.8	0	0	0	0	110.9	R183 E184	S181-R183 PolarHBondContact O-N 2.83Å; S181-E184 VanDerWaalsContact CB-OE2 3.28Å; S181-E184 WeakPolarHBondContact CB-OE2 3.25Å; S181-E184 PolarHBondContact N-OE2 2.77Å; S181-E184 PolarHBondContact O-N 2.94Å; S181-E184 VanDerWaalsContact O-N 3.09Å; S181-E184 WeakPolarHBondContact OG-CG 3.45Å; S181-E184 PolarHBondContact OG-N 3.27Å; S181-E184 PolarHBondContact OG-OE2 3.36Å
182	K	29.6	Very low	30.3	Very low	121 Å²	121	122 Å²	122	53%	0.526	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.4	-19.6	174	-95	175.1	178	146.3	0	113.6	D120	D120-K182 WeakPolarHBondContact O-CD 3.34Å; D120-K182 WeakPolarHBondContact O-CE 3.4Å; D120-K182 PolarHBondContact O-NZ 2.98Å; D120-K182 IonicContact OD2-NZ 3.65Å; D120-K182 PolarHBondContact OD2-NZ 3.37Å
183	R	31.7	Very low	30.4	Very low	225 Å²	225	123.6 Å²	123.6	85%	0.849	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-32.8	176.7	-83.6	-175.8	170.1	173.6	-2.8	113	S181 L185 C186	S181-R183 PolarHBondContact O-N 2.83Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 3.46Å; R183-C186 PolarHBondContact O-N 3.46Å
184	E	33.3	Very low	30.5	Very low	129 Å²	129	120.8 Å²	120.8	60%	0.603	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-70.3	-23.9	-180	-72.7	159.3	123.4	0	0	112.8	I180 S181 C186	I180-E184 HydrophobicContact CG2-CB 4.32Å; S181-E184 VanDerWaalsContact CB-OE2 3.28Å; S181-E184 WeakPolarHBondContact CB-OE2 3.25Å; S181-E184 PolarHBondContact N-OE2 2.77Å; S181-E184 PolarHBondContact O-N 2.94Å; S181-E184 VanDerWaalsContact O-N 3.09Å; S181-E184 WeakPolarHBondContact OG-CG 3.45Å; S181-E184 PolarHBondContact OG-N 3.27Å; S181-E184 PolarHBondContact OG-OE2 3.36Å; E184-C186 VanDerWaalsContact C-N 3.27Å; E184-C186 PolarHBondContact O-N 3.33Å
185	L	30.9	Very low	30.5	Very low	79 Å²	79	123 Å²	123	41%	0.414	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-71.6	-13.9	177.6	-101.6	77.4	0	0	0	114.8	I180 R183 Q198	I180-L185 HydrophobicContact CG2-CD1 3.67Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 3.46Å; L185-Q198 HydrophobicContact CD2-CB 4.34Å
186	C	29.9	Very low	30.5	Very low	109 Å²	109	119.6 Å²	119.6	74%	0.736	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-112.7	0.8	-167.1	-67.9	0	0	0	0	115.5	R183 E184	R183-C186 PolarHBondContact O-N 3.46Å; E184-C186 VanDerWaalsContact C-N 3.27Å; E184-C186 PolarHBondContact O-N 3.33Å
187	Q	27.4	Very low	30.6	Very low	157 Å²	157	117.8 Å²	117.8	73%	0.734	62%	0.623	S	S	*	*	S	Bend	trans	-142.8	132	-178.3	-67.8	-170.1	-9.1	0	0	113.9
188	K	28.9	Very low	30.8	Very low	172 Å²	172	118.7 Å²	118.7	75%	0.748	63%	0.625	S	S	*	*	S	Bend	trans	77.1	144.6	173.6	-56.6	174.5	-178.4	173.1	0	116.2	V190	K188-V190 PolarHBondContact O-N 3.29Å
189	H	30.4	Very low	30.8	Very low	196 Å²	196	112.6 Å²	112.6	91%	0.907	60%	0.601	S	S	*	*			trans	-64.5	126.1	172.4	-75.4	-100.6	0	0	0	110.3
190	V	29.7	Very low	31	Very low	116 Å²	116	113.8 Å²	113.8	70%	0.703	60%	0.602	S	S	*	*			trans	-112.8	122.4	168.4	179.8	0	0	0	0	107.8	K188 T192	K188-V190 PolarHBondContact O-N 3.29Å; V190-T192 PolarHBondContact O-N 2.77Å
191	P	35.6	Very low	31.5	Very low	119 Å²	119	118.5 Å²	118.5	77%	0.773	63%	0.628	S	S	*	*			trans	-55.7	125.7	171.9	-25.9	35.6	0	0	0	110.8	A193	P191-A193 PolarHBondContact O-N 3.11Å
192	T	29.7	Very low	32	Very low	133 Å²	133	119 Å²	119	82%	0.816	63%	0.626	S	S	*	*			trans	-81.1	90.9	-160.8	44.6	0	0	0	0	113.6	V190	V190-T192 PolarHBondContact O-N 2.77Å
193	A	34.2	Very low	32.6	Very low	77 Å²	77	119.2 Å²	119.2	64%	0.636	63%	0.628	S	S	*	*	S	Bend	trans	-118.1	114.9	161	0	0	0	0	0	111	P191 M195	P191-A193 PolarHBondContact O-N 3.11Å; A193-M195 PolarHBondContact O-N 3.23Å
194	N	31.9	Very low	33.1	Very low	152 Å²	152	110.5 Å²	110.5	81%	0.813	60%	0.599	S	S	*	*	S	Bend	trans	63.6	32	161.6	-56.1	-44.9	0	0	0	119.2
195	M	29.2	Very low	33.7	Very low	128 Å²	128	107.8 Å²	107.8	63%	0.631	59%	0.591	S	S	*	*			trans	-133.4	148.3	162.4	-74.1	-160.1	155.8	0	0	112.8	I180 A193	I180-M195 HydrophobicContact CD1-CE 3.65Å; I180-M195 HydrophobicContact CD1-SD 3.67Å; I180-M195 HydrophobicContact CG1-CE 4.09Å; I180-M195 HydrophobicContact CG1-SD 4.43Å; A193-M195 PolarHBondContact O-N 3.23Å
196	A	29.9	Very low	34.4	Very low	45 Å²	45	104.1 Å²	104.1	37%	0.372	57%	0.571	S	S	.	*			trans	-97.5	120.9	179.7	0	0	0	0	0	110.2
197	T	31.8	Very low	35.3	Very low	65 Å²	65	107.5 Å²	107.5	40%	0.399	58%	0.577	S	S	.	*			trans	-108.3	132.7	-172.6	-40.7	0	0	0	0	110.8	T199	T197-T199 HydrophobicContact CG2-CG2 3.92Å; T197-T199 PolarHBondContact O-N 3.09Å; T197-T199 PolarHBondContact O-OG1 3.41Å
198	Q	30.4	Very low	36.1	Very low	110 Å²	110	108.3 Å²	108.3	51%	0.514	57%	0.573	S	S	.	*			trans	-65.9	116.5	171.7	-179	179.2	19.1	0	0	109.2	L185	L185-Q198 HydrophobicContact CD2-CB 4.34Å
199	T	31.2	Very low	37.6	Very low	33 Å²	33	101.9 Å²	101.9	20%	0.202	55%	0.549	C	S	.	.			trans	-150.3	102.6	-163.5	39	0	0	0	0	111.8	T197 I202	T197-T199 HydrophobicContact CG2-CG2 3.92Å; T197-T199 PolarHBondContact O-N 3.09Å; T197-T199 PolarHBondContact O-OG1 3.41Å; T199-I202 HydrophobicContact CG2-CD1 4.28Å; T199-I202 HydrophobicContact CG2-CG1 3.75Å; T199-I202 VanDerWaalsContact OG1-CD1 3.25Å; T199-I202 WeakPolarHBondContact OG1-CD1 3.47Å; T199-I202 WeakPolarHBondContact OG1-CG1 3.43Å
200	N	34.7	Very low	38.7	Very low	125 Å²	125	96.4 Å²	96.4	67%	0.668	53%	0.533	S	S	*	.	S	Bend	trans	-71.1	151.3	137.4	-59.2	-12	0	0	0	106.3
201	D	41.7	Very low	39.6	Very low	146 Å²	146	94 Å²	94	78%	0.781	52%	0.516	S	S	*	.			trans	65.9	39.4	172.9	-42.7	-33.6	0	0	0	117.4	H203	D201-H203 PolarHBondContact O-N 3.43Å; D201-H203 VanDerWaalsContact O-N 3.16Å
202	I	39.2	Very low	40.2	Very low	61 Å²	61	96 Å²	96	31%	0.313	51%	0.509	S	S	.	.			trans	-70.6	109.4	160.9	-42.8	-174.3	0	0	0	109.9	T199 L204 T246	T199-I202 HydrophobicContact CG2-CD1 4.28Å; T199-I202 HydrophobicContact CG2-CG1 3.75Å; T199-I202 VanDerWaalsContact OG1-CD1 3.25Å; T199-I202 WeakPolarHBondContact OG1-CD1 3.47Å; T199-I202 WeakPolarHBondContact OG1-CG1 3.43Å; I202-L204 HydrophobicContact CB-CG 4.42Å; I202-L204 HydrophobicContact CG2-CD2 3.74Å; I202-L204 HydrophobicContact CG2-CG 3.76Å; I202-L204 PolarHBondContact O-N 3.45Å; I202-T246 HydrophobicContact CD1-CG2 3.93Å
203	H	43.2	Very low	40.8	Very low	126 Å²	126	91.3 Å²	91.3	58%	0.583	48%	0.477	S	S	*	.			trans	-76.3	95	154.6	-67.7	-75	0	0	0	109.5	D201 V205	D201-H203 PolarHBondContact O-N 3.43Å; D201-H203 VanDerWaalsContact O-N 3.16Å; H203-V205 PolarHBondContact O-N 3.34Å
204	L	42.6	Very low	41.2	Very low	43 Å²	43	90.7 Å²	90.7	23%	0.225	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	119.6	173.3	-72.3	168.7	0	0	0	108.8	I202 Y212 F213 V248 V311	I202-L204 HydrophobicContact CB-CG 4.42Å; I202-L204 HydrophobicContact CG2-CD2 3.74Å; I202-L204 HydrophobicContact CG2-CG 3.76Å; I202-L204 PolarHBondContact O-N 3.45Å; L204-Y212 CarbonylContact O-C 3.59Å; L204-Y212 WeakPolarHBondContact O-CA 3.34Å; L204-F213 HydrophobicContact CB-CB 4.24Å; L204-F213 HydrophobicContact CB-CD2 4.18Å; L204-F213 PolarHBondContact N-O 2.74Å; L204-F213 WeakPolarHBondContact O-CD2 3.48Å; L204-F213 PolarHBondContact O-N 3.03Å; L204-V248 HydrophobicContact CD2-CG2 3.93Å; L204-V311 HydrophobicContact CD1-CG2 3.66Å
205	V	45.6	Very low	41.5	Very low	72 Å²	72	87 Å²	87	44%	0.436	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.3	175.7	-176.4	0	0	0	0	109.1	H203 E207 N211 Y212	H203-V205 PolarHBondContact O-N 3.34Å; V205-E207 PolarHBondContact O-N 3.45Å; V205-N211 WeakPolarHBondContact CA-O 3.38Å; V205-Y212 HydrophobicContact CG2-CD1 3.69Å; V205-Y212 HydrophobicContact CG2-CE1 3.78Å
206	C	45.2	Very low	41.7	Very low	1 Å²	1	87.1 Å²	87.1	1%	0.007	45%	0.452	C	S	.	.			trans	-80.4	108.6	171	-175.5	0	0	0	0	110.2	R208 C209 S210 N211 F213	C206-R208 PolarHBondContact O-N 3.37Å; C206-C209 PolarHBondContact O-N 3.44Å; C206-S210 WeakPolarHBondContact O-CA 3.39Å; C206-S210 PolarHBondContact O-N 3.49Å; C206-N211 PolarHBondContact N-O 2.96Å; C206-F213 HydrophobicContact CB-CE2 4.13Å
207	E	48.3	Very low	41.8	Very low	181 Å²	181	91 Å²	91	85%	0.846	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.3	-178.7	-60.7	-169.2	160	0	0	114.2	V205	V205-E207 PolarHBondContact O-N 3.45Å
208	R	44.7	Very low	41.6	Very low	173 Å²	173	96.6 Å²	96.6	65%	0.653	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-14.2	179.7	-155.5	174.9	-174.3	-174.3	2	114.9	C206	C206-R208 PolarHBondContact O-N 3.37Å
209	C	60.6	Low	41.4	Very low	38 Å²	38	100.8 Å²	100.8	26%	0.257	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	5.4	178.4	68.8	0	0	0	0	115.3	C206 N211 C336	C206-C209 PolarHBondContact O-N 3.44Å; C209-N211 PolarHBondContact O-N 3.03Å; C209-C336 VanDerWaalsContact SG-SG 3.68Å
210	S	52.8	Low	41.3	Very low	80 Å²	80	103.8 Å²	103.8	56%	0.559	54%	0.54	S	S	*	.			trans	53.6	14	-178.6	-52.3	0	0	0	0	116.2	C206	C206-S210 WeakPolarHBondContact O-CA 3.39Å; C206-S210 PolarHBondContact O-N 3.49Å
211	N	48.3	Very low	41	Very low	65 Å²	65	104 Å²	104	35%	0.348	55%	0.549	S	S	.	.			trans	-70.6	136.6	174.4	-89.5	-50.9	0	0	0	111.3	V205 C206 C209	V205-N211 WeakPolarHBondContact CA-O 3.38Å; C206-N211 PolarHBondContact N-O 2.96Å; C209-N211 PolarHBondContact O-N 3.03Å
212	Y	49.6	Very low	40.2	Very low	163 Å²	163	103 Å²	103	64%	0.639	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.5	138.8	172.3	-53.6	-91.7	0	0	0	110.3	L204 V205	L204-Y212 CarbonylContact O-C 3.59Å; L204-Y212 WeakPolarHBondContact O-CA 3.34Å; V205-Y212 HydrophobicContact CG2-CD1 3.69Å; V205-Y212 HydrophobicContact CG2-CE1 3.78Å
213	F	41.4	Very low	39.9	Very low	33 Å²	33	104.9 Å²	104.9	15%	0.145	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	118.6	162.9	-52	-89.6	0	0	0	108.6	L204 C206 A338	L204-F213 HydrophobicContact CB-CB 4.24Å; L204-F213 HydrophobicContact CB-CD2 4.18Å; L204-F213 PolarHBondContact N-O 2.74Å; L204-F213 WeakPolarHBondContact O-CD2 3.48Å; L204-F213 PolarHBondContact O-N 3.03Å; C206-F213 HydrophobicContact CB-CE2 4.13Å; F213-A338 HydrophobicContact CD1-CB 4.22Å; F213-A338 HydrophobicContact CE1-CB 3.7Å; F213-A338 HydrophobicContact CZ-CB 3.91Å
214	S	42	Very low	39.3	Very low	64 Å²	64	104.1 Å²	104.1	45%	0.448	58%	0.58	S	S	.	*			trans	-86	151.6	164.3	-174.4	0	0	0	0	109.5	D216	S214-D216 VanDerWaalsContact CB-OD1 3.22Å; S214-D216 WeakPolarHBondContact CB-OD1 3.17Å; S214-D216 PolarHBondContact OG-OD1 3.07Å
215	L	38.5	Very low	38.7	Very low	76 Å²	76	107.8 Å²	107.8	40%	0.398	60%	0.604	S	S	.	*			trans	-110.8	67.1	173.4	-150	96.2	0	0	0	110.2	T217 I313 V340	L215-T217 PolarHBondContact O-N 3.34Å; L215-T217 PolarHBondContact O-OG1 3.19Å; L215-I313 HydrophobicContact CD1-CD1 4.35Å; L215-I313 HydrophobicContact CD2-CD1 3.58Å; L215-V340 HydrophobicContact CD1-CG1 4.48Å; L215-V340 HydrophobicContact CD1-CG2 4.12Å
216	D	34.3	Very low	37.7	Very low	130 Å²	130	110 Å²	110	70%	0.695	62%	0.622	S	S	*	*			trans	-55.9	107.3	-175.8	-58.1	-12.5	0	0	0	110.6	S214	S214-D216 VanDerWaalsContact CB-OD1 3.22Å; S214-D216 WeakPolarHBondContact CB-OD1 3.17Å; S214-D216 PolarHBondContact OG-OD1 3.07Å
217	T	32.7	Very low	37	Very low	127 Å²	127	117.7 Å²	117.7	78%	0.779	66%	0.661	S	S	*	*			trans	-91.9	-4.1	-171.6	-58.2	0	0	0	0	112.4	L215 Q219	L215-T217 PolarHBondContact O-N 3.34Å; L215-T217 PolarHBondContact O-OG1 3.19Å; T217-Q219 PolarHBondContact O-N 3.43Å
218	E	27.1	Very low	35.9	Very low	181 Å²	181	114.7 Å²	114.7	85%	0.846	66%	0.655	S	S	*	*			trans	-89.5	80.4	179.5	-64.3	-161.4	149.3	0	0	113.5
219	Q	26.3	Very low	35.3	Very low	199 Å²	199	114.6 Å²	114.6	93%	0.93	67%	0.668	S	S	*	*			trans	-164.6	94	154.1	-114.9	154.3	90.3	0	0	113.4	T217	T217-Q219 PolarHBondContact O-N 3.43Å
220	A	28.4	Very low	33.9	Very low	95 Å²	95	122.7 Å²	122.7	79%	0.785	70%	0.699	S	S	*	*			trans	-114.6	136.7	162.2	0	0	0	0	0	109.3
221	P	29.1	Very low	32.9	Very low	131 Å²	131	122.1 Å²	122.1	85%	0.851	71%	0.705	S	S	*	*			trans	-77.5	138.1	-167.4	-15	31.1	0	0	0	113.7
222	S	25.3	Very low	32.2	Very low	123 Å²	123	127.1 Å²	127.1	86%	0.86	73%	0.732	S	S	*	*			trans	-92.8	115	175.9	46.3	0	0	0	0	112.4
223	S	30.9	Very low	31.3	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	74%	0.741	S	S	*	*			trans	-163.4	119.2	164.6	58.3	0	0	0	0	114.1
224	S	31.8	Very low	30.8	Very low	109 Å²	109	133.5 Å²	133.5	76%	0.762	77%	0.773	S	S	*	*			trans	54.9	148.9	148.6	58.5	0	0	0	0	122.8
225	T	29.2	Very low	30.3	Very low	120 Å²	120	140 Å²	140	74%	0.736	80%	0.796	S	S	*	*			cis	-170.8	129.7	-18.2	-83.7	0	0	0	0	108.4
226	C	25.1	Very low	29.7	Very low	119 Å²	119	145.5 Å²	145.5	80%	0.804	82%	0.82	S	S	*	*			trans	60.9	168.1	167.8	-64.4	0	0	0	0	116.6
227	I	30.6	Very low	29.4	Very low	163 Å²	163	145.3 Å²	145.3	84%	0.836	83%	0.826	S	S	*	*			cis	-122.1	149.5	5	-64.3	168.1	0	0	0	110.1
228	T	26.1	Very low	29.2	Very low	117 Å²	117	143.1 Å²	143.1	72%	0.718	82%	0.816	S	S	*	*			trans	-77	150	177	53	0	0	0	0	114.4
229	N	31.1	Very low	29.1	Very low	171 Å²	171	142.9 Å²	142.9	91%	0.914	82%	0.819	S	S	*	*			trans	-137.5	148.3	139.4	-103.1	-25.3	0	0	0	109.4
230	K	32.2	Very low	29.1	Very low	209 Å²	209	143 Å²	143	91%	0.909	81%	0.812	S	S	*	*			trans	-102.3	146.5	-178.5	-63.9	-178.8	176.5	-174.6	0	110.4
231	G	31.8	Very low	28.9	Very low	67 Å²	67	147.6 Å²	147.6	69%	0.691	82%	0.815	S	S	*	*			trans	177.8	108.3	170.6	0	0	0	0	0	111.6
232	D	32.3	Very low	28.8	Very low	170 Å²	170	146.3 Å²	146.3	91%	0.909	80%	0.8	S	S	*	*			trans	61.6	154.8	162.2	-51	-29.3	0	0	0	120.1
233	E	31.7	Very low	28.9	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	77%	0.773	S	S	*	*			trans	-114.9	178.5	-168.1	-60.8	180	128.6	0	0	111.7
234	N	30.2	Very low	28.8	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	75%	0.749	S	S	*	*			trans	75	75.8	172.6	-55.9	-45.1	0	0	0	118.1
235	Q	32.2	Very low	28.8	Very low	199 Å²	199	139.2 Å²	139.2	93%	0.93	73%	0.734	S	S	*	*			trans	-156.3	138.9	138.5	-109.7	161.6	38	0	0	110.4
236	Q	26.5	Very low	28.9	Very low	192 Å²	192	134.4 Å²	134.4	90%	0.897	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-79.8	137.8	174	-76.1	-177.5	-28.4	0	0	110.3	S238	Q236-S238 PolarHBondContact O-N 3.12Å
237	P	28.1	Very low	29.2	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-73.4	121.1	176.3	29.3	-33.2	0	0	0	111	L239	P237-L239 PolarHBondContact O-N 3.12Å
238	S	27.4	Very low	29.1	Very low	81 Å²	81	126.5 Å²	126.5	57%	0.566	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-64.8	127.1	172.5	55.6	0	0	0	0	111.3	Q236 Y240	Q236-S238 PolarHBondContact O-N 3.12Å; S238-Y240 VanDerWaalsContact O-CD2 3.27Å; S238-Y240 WeakPolarHBondContact O-CD2 3.37Å; S238-Y240 PolarHBondContact O-N 3.4Å
239	L	25.6	Very low	29.5	Very low	175 Å²	175	124.2 Å²	124.2	92%	0.916	65%	0.645	S	S	*	*			trans	-67.9	96.8	176.9	-100.6	160.8	0	0	0	111.4	P237 K241	P237-L239 PolarHBondContact O-N 3.12Å; L239-K241 PolarHBondContact O-N 2.67Å
240	Y	25.5	Very low	29.6	Very low	201 Å²	201	121 Å²	121	79%	0.788	62%	0.624	S	S	*	*			trans	-65.7	118.8	172.6	-75.7	-89.3	0	0	0	110.6	S238 L242	S238-Y240 VanDerWaalsContact O-CD2 3.27Å; S238-Y240 WeakPolarHBondContact O-CD2 3.37Å; S238-Y240 PolarHBondContact O-N 3.4Å; Y240-L242 PolarHBondContact O-N 2.93Å
241	K	25.3	Very low	29.5	Very low	192 Å²	192	117 Å²	117	84%	0.835	60%	0.604	S	S	*	*			trans	-87.5	103.6	-172.6	-153.9	173.8	-170.8	177.6	0	110.8	L239	L239-K241 PolarHBondContact O-N 2.67Å
242	L	25.8	Very low	29.3	Very low	105 Å²	105	118.3 Å²	118.3	55%	0.55	59%	0.594	S	S	.	*			trans	-58.2	140.4	179.6	-109.2	72.6	0	0	0	112.4	Y240 L244 T319	Y240-L242 PolarHBondContact O-N 2.93Å; L242-L244 HydrophobicContact CD2-CD1 4.45Å; L242-T319 HydrophobicContact CD1-CG2 4.2Å; L242-T319 HydrophobicContact CG-CG2 3.86Å
243	S	27.8	Very low	29.3	Very low	40 Å²	40	112 Å²	112	28%	0.28	56%	0.562	S	S	.	*			trans	-119.6	85.1	177.5	-64.8	0	0	0	0	110.9
244	L	27.9	Very low	29.4	Very low	40 Å²	40	110.9 Å²	110.9	21%	0.209	55%	0.551	C	S	.	*			trans	-80.3	131.3	170.9	-116.4	75.3	0	0	0	110.8	L242 I313	L242-L244 HydrophobicContact CD2-CD1 4.45Å; L244-I313 HydrophobicContact CD2-CG2 4.01Å; L244-I313 HydrophobicContact CG-CG2 4.14Å
245	F	31.8	Very low	29.3	Very low	105 Å²	105	110.1 Å²	110.1	46%	0.461	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.8	170.4	-69	-84.9	0	0	0	110.4	I314	F245-I314 HydrophobicContact CB-CB 4.45Å; F245-I314 PolarHBondContact N-O 2.89Å; F245-I314 PolarHBondContact O-N 3.39Å
246	T	31.3	Very low	28.9	Very low	18 Å²	18	105.7 Å²	105.7	11%	0.11	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.8	-178.8	-47.6	0	0	0	0	109.7	I202 V311	I202-T246 HydrophobicContact CD1-CG2 3.93Å; T246-V311 HydrophobicContact CG2-CG1 3.57Å
247	S	31.7	Very low	29	Very low	41 Å²	41	101.8 Å²	101.8	29%	0.287	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116	169.7	66.6	0	0	0	0	110.2	C312	S247-C312 PolarHBondContact N-O 3.03Å; S247-C312 PolarHBondContact O-N 3.2Å; S247-C312 VanDerWaalsContact OG-CB 3.26Å; S247-C312 WeakPolarHBondContact OG-CB 3.31Å; S247-C312 PolarHBondContact OG-O 3.48Å
248	V	28.8	Very low	28.9	Very low	75 Å²	75	103.7 Å²	103.7	46%	0.455	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.5	169	-177.2	0	0	0	0	108.4	L204 F309	L204-V248 HydrophobicContact CD2-CG2 3.93Å; V248-F309 HydrophobicContact CG1-CD1 4.44Å
249	I	34.9	Very low	29	Very low	70 Å²	70	104.7 Å²	104.7	36%	0.359	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	102.5	169	-54.5	176.6	0	0	0	106.7	Y251 T310	I249-Y251 HydrophobicContact CB-CE2 4.4Å; I249-Y251 HydrophobicContact CG2-CD2 3.81Å; I249-Y251 HydrophobicContact CG2-CE2 3.53Å; I249-Y251 PolarHBondContact O-N 3.42Å; I249-T310 PolarHBondContact N-O 3.29Å; I249-T310 PolarHBondContact O-N 3.03Å
250	E	32.1	Very low	29	Very low	103 Å²	103	108.5 Å²	108.5	48%	0.481	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114.3	168.5	-174	177.7	-142.1	0	0	109	M252 F309	E250-M252 PolarHBondContact O-N 2.8Å; E250-F309 HydrophobicContact CB-CE1 4.31Å; E250-F309 HydrophobicContact CG-CD1 4.49Å; E250-F309 HydrophobicContact CG-CE1 3.97Å; E250-F309 HydrophobicContact CG-CZ 4.25Å; E250-F309 WeakPolarHBondContact OE1-CZ 3.28Å
251	Y	30.2	Very low	29.2	Very low	126 Å²	126	102.2 Å²	102.2	49%	0.494	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	92.3	170	-88.7	-88.7	0	0	0	109.4	I249 V308	I249-Y251 HydrophobicContact CB-CE2 4.4Å; I249-Y251 HydrophobicContact CG2-CD2 3.81Å; I249-Y251 HydrophobicContact CG2-CE2 3.53Å; I249-Y251 PolarHBondContact O-N 3.42Å; Y251-V308 PolarHBondContact N-O 3.38Å
252	M	29	Very low	29.3	Very low	94 Å²	94	98.6 Å²	98.6	46%	0.463	52%	0.52	S	S	.	.			trans	-48.9	119.6	160.7	-81.5	-74.5	164.9	0	0	108.8	E250 Y254 L255	E250-M252 PolarHBondContact O-N 2.8Å; M252-Y254 HydrophobicContact CB-CD2 4.1Å; M252-Y254 PolarHBondContact O-N 3.25Å; M252-Y254 HydrophobicContact SD-CD2 4.21Å; M252-Y254 HydrophobicContact SD-CE2 3.73Å; M252-L255 PolarHBondContact O-N 2.84Å
253	P	31.1	Very low	29.5	Very low	37 Å²	37	99.4 Å²	99.4	24%	0.24	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.6	-165.8	25.7	-34.6	0	0	0	114.8	L255 P305	P253-L255 PolarHBondContact O-N 3.11Å; P253-P305 HydrophobicContact CB-CB 3.7Å; P253-P305 HydrophobicContact CB-CG 3.66Å; P253-P305 HydrophobicContact CG-CB 4.43Å; P253-P305 HydrophobicContact CG-CG 3.96Å
254	Y	33.3	Very low	29.7	Very low	157 Å²	157	104.2 Å²	104.2	62%	0.616	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-10.1	-178.8	-44.1	-52.9	0	0	0	113.5	M252 T298	M252-Y254 HydrophobicContact CB-CD2 4.1Å; M252-Y254 PolarHBondContact O-N 3.25Å; M252-Y254 HydrophobicContact SD-CD2 4.21Å; M252-Y254 HydrophobicContact SD-CE2 3.73Å; Y254-T298 HydrophobicContact CD1-CG2 3.46Å; Y254-T298 VanDerWaalsContact CD1-CG2 3.46Å; Y254-T298 HydrophobicContact CE1-CG2 3.91Å; Y254-T298 HydrophobicContact CG-CG2 4.47Å
255	L	28.5	Very low	29.9	Very low	135 Å²	135	114.2 Å²	114.2	71%	0.707	59%	0.589	S	S	*	*			trans	-95.6	95.8	176.2	-81.9	162.8	0	0	0	111.6	M252 P253 P257	M252-L255 PolarHBondContact O-N 2.84Å; P253-L255 PolarHBondContact O-N 3.11Å; L255-P257 WeakPolarHBondContact O-CD 3.34Å
256	I	25.4	Very low	29.9	Very low	105 Å²	105	121.1 Å²	121.1	54%	0.538	61%	0.612	S	S	.	*			trans	-86.5	107	165.4	-59.8	176	0	0	0	108.7	L258	I256-L258 PolarHBondContact O-N 3.24Å; I256-L258 VanDerWaalsContact O-N 3.11Å
257	P	27.4	Very low	29.8	Very low	111 Å²	111	128.5 Å²	128.5	72%	0.721	65%	0.647	S	S	*	*			trans	-71.5	108.1	173.5	29.2	-33.9	0	0	0	109.9	L255 S259	L255-P257 WeakPolarHBondContact O-CD 3.34Å; P257-S259 PolarHBondContact O-N 3.13Å
258	L	26.1	Very low	29.9	Very low	167 Å²	167	137.4 Å²	137.4	87%	0.874	68%	0.675	S	S	*	*			trans	-67.4	80.9	168.1	-71.5	177.7	0	0	0	110.1	I256	I256-L258 PolarHBondContact O-N 3.24Å; I256-L258 VanDerWaalsContact O-N 3.11Å
259	S	29.6	Very low	30.1	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	69%	0.693	S	S	*	*			trans	-61.4	149.7	174.7	58.4	0	0	0	0	111.4	P257 G261	P257-S259 PolarHBondContact O-N 3.13Å; S259-G261 PolarHBondContact O-N 3.08Å; S259-G261 VanDerWaalsContact O-N 3.15Å
260	R	26.2	Very low	30	Very low	255 Å²	255	142.2 Å²	142.2	96%	0.962	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	116.2	-174.1	-68.4	176	165.8	102.5	-3.8	110.9
261	G	29.1	Very low	30.1	Very low	69 Å²	69	143.5 Å²	143.5	71%	0.711	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	169	-23.7	167.8	0	0	0	0	0	119.2	S259 P263	S259-G261 PolarHBondContact O-N 3.08Å; S259-G261 VanDerWaalsContact O-N 3.15Å; G261-P263 VanDerWaalsContact O-CD 3.26Å; G261-P263 WeakPolarHBondContact O-CD 3.42Å
262	V	26.7	Very low	30.3	Very low	115 Å²	115	144 Å²	144	70%	0.697	74%	0.744	S	S	*	*			trans	-94.8	113.6	-167.8	-170.6	0	0	0	0	113.1	L264	V262-L264 HydrophobicContact CG1-CD2 3.85Å; V262-L264 HydrophobicContact CG1-CG 4.07Å; V262-L264 PolarHBondContact O-N 2.75Å
263	P	30.4	Very low	30.6	Very low	123 Å²	123	144.4 Å²	144.4	80%	0.799	76%	0.756	S	S	*	*			trans	-85.5	101.1	176.2	33.3	-33.5	0	0	0	111.8	G261	G261-P263 VanDerWaalsContact O-CD 3.26Å; G261-P263 WeakPolarHBondContact O-CD 3.42Å
264	L	31.8	Very low	30.7	Very low	141 Å²	141	149.8 Å²	149.8	74%	0.738	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-93.9	125.3	175.3	-61.1	179	0	0	0	111.3	V262	V262-L264 HydrophobicContact CG1-CD2 3.85Å; V262-L264 HydrophobicContact CG1-CG 4.07Å; V262-L264 PolarHBondContact O-N 2.75Å
265	R	32.2	Very low	30.7	Very low	250 Å²	250	150 Å²	150	94%	0.943	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.9	-179.2	-78.6	-176.8	173.6	172.7	-1.5	111.8
266	R	31.4	Very low	31	Very low	249 Å²	249	149.2 Å²	149.2	94%	0.94	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.7	129.6	164.1	-143.8	179.2	-160.2	177.5	5.8	109.3
267	M	30.2	Very low	31.3	Very low	174 Å²	174	152 Å²	152	86%	0.857	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-84	146.4	173	-150	171.5	177.1	0	0	110.1
268	R	33.1	Very low	31.4	Very low	228 Å²	228	152.7 Å²	152.7	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-83	147.2	166.7	-77	-178.2	172.1	173.8	-3.3	109.1
269	S	33.1	Very low	31.8	Very low	121 Å²	121	154.9 Å²	154.9	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-68.4	133.7	174.1	43.8	0	0	0	0	111.4
270	T	33.9	Very low	31.9	Very low	125 Å²	125	153.4 Å²	153.4	77%	0.767	82%	0.818	S	S	*	*			trans	-135.8	115.7	167.3	50.4	0	0	0	0	108.3
271	T	32.3	Very low	32	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	81%	0.808	S	S	*	*			trans	-74.5	128.1	-179	47	0	0	0	0	112.2
272	T	35.7	Very low	32.1	Very low	135 Å²	135	150.1 Å²	150.1	83%	0.828	82%	0.816	S	S	*	*			trans	178	140.2	133.8	30.9	0	0	0	0	114.1
273	S	35	Very low	32.4	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	82%	0.818	S	S	*	*			trans	49.6	107.1	146.4	64.1	0	0	0	0	122.7
274	N	33.7	Very low	32.3	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	82%	0.82	S	S	*	*			trans	10.2	117.7	133.6	-51.9	2.7	0	0	0	119.9
275	N	33.7	Very low	32.2	Very low	161 Å²	161	154.9 Å²	154.9	86%	0.861	82%	0.823	S	S	*	*				174.9	129.6	117.7	-94.8	-12.2	0	0	0	111.4
276	P	33.4	Very low	32.1	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	81%	0.812	S	S	*	*			trans	-110.1	117.4	177.6	35.8	-26.2	0	0	0	113.6
277	L	31.2	Very low	32.4	Very low	165 Å²	165	149.8 Å²	149.8	86%	0.864	81%	0.809	S	S	*	*			trans	-147	134.7	160.4	-80.1	-177.3	0	0	0	112.1
278	V	30.2	Very low	32.6	Very low	125 Å²	125	150 Å²	150	76%	0.758	80%	0.8	S	S	*	*			trans	30.7	112.8	149.8	-171.7	0	0	0	0	118.3
279	F	34.2	Very low	32.7	Very low	212 Å²	212	141.4 Å²	141.4	93%	0.93	77%	0.774	S	S	*	*			trans	-154.6	137.4	142.7	-103.4	-66.2	0	0	0	114.5
280	G	32.9	Very low	33.1	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	77%	0.773	S	S	*	*			trans	22.7	138.5	146.9	0	0	0	0	0	123
281	A	28.8	Very low	33.2	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	77%	0.769	S	S	*	*	S	Bend	trans	-64.6	177.1	166.2	0	0	0	0	0	113.7
282	N	31	Very low	33.1	Very low	166 Å²	166	139.5 Å²	139.5	89%	0.888	75%	0.754	S	S	*	*			trans	82.2	46.7	170.9	-55.6	-14.2	0	0	0	118.1
283	S	31.7	Very low	32.9	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	75%	0.745	S	S	*	*			trans	-154	92.6	147.4	-147.9	0	0	0	0	113.5	R285	S283-R285 PolarHBondContact O-N 2.91Å
284	L	28.2	Very low	32.8	Very low	160 Å²	160	144.5 Å²	144.5	84%	0.838	75%	0.754	S	S	*	*			trans	-72.8	96.2	171.4	-75.9	169.8	0	0	0	110.2
285	R	31	Very low	32.8	Very low	214 Å²	214	141.3 Å²	141.3	81%	0.808	74%	0.739	S	S	*	*			trans	-123.7	111.3	168.4	-91.7	-174.5	170.5	172.8	0.2	110.1	S283 R287	S283-R285 PolarHBondContact O-N 2.91Å; R285-R287 PolarHBondContact O-N 3.42Å
286	F	29.4	Very low	32.9	Very low	164 Å²	164	138 Å²	138	72%	0.719	72%	0.722	S	S	*	*			trans	-49.6	135.1	170.1	-92.1	-94.6	0	0	0	111.4
287	R	38.4	Very low	32.8	Very low	229 Å²	229	135.3 Å²	135.3	86%	0.864	71%	0.705	S	S	*	*			trans	-127.6	133.8	168.4	-64.5	-173.8	-179.4	-156.6	2.8	107.7	R285	R285-R287 PolarHBondContact O-N 3.42Å
288	W	32.8	Very low	33.1	Very low	178 Å²	178	130.4 Å²	130.4	67%	0.674	68%	0.682	S	S	*	*			trans	-72.8	144.8	169.4	-104.9	80.7	0	0	0	110.1
289	P	36.9	Very low	33.5	Very low	48 Å²	48	133.2 Å²	133.2	31%	0.312	69%	0.687	S	S	.	*			trans	-55.1	155.4	158.9	-19.7	30.8	0	0	0	110.8	D291 V295	P289-D291 PolarHBondContact O-N 3.43Å; P289-V295 HydrophobicContact CG-CG2 3.51Å
290	I	41.5	Very low	33.7	Very low	161 Å²	161	126.1 Å²	126.1	83%	0.826	66%	0.661	S	S	*	*	S	Bend	trans	-74.1	-23.7	176.8	-71.1	175.1	0	0	0	110.7
291	D	36.2	Very low	33.7	Very low	128 Å²	128	126.3 Å²	126.3	68%	0.684	65%	0.645	S	S	*	*	S	Bend	trans	-104.1	-2.8	-153.4	-43.2	-75.4	0	0	0	113.3	P289	P289-D291 PolarHBondContact O-N 3.43Å
292	G	28.7	Very low	34.1	Very low	46 Å²	46	127.1 Å²	127.1	47%	0.474	64%	0.642	S	S	.	*			trans	86.9	1.9	172.5	0	0	0	0	0	115.8
293	E	31.3	Very low	34.5	Very low	141 Å²	141	125.3 Å²	125.3	66%	0.659	63%	0.633	S	S	*	*			trans	-64.8	140.9	178.8	-61.6	-171.9	147.6	0	0	112.8	V295	E293-V295 PolarHBondContact O-N 2.93Å; E293-V295 VanDerWaalsContact O-N 3.14Å
294	F	34.4	Very low	34.9	Very low	203 Å²	203	128.9 Å²	128.9	89%	0.89	64%	0.637	S	S	*	*			trans	-76.7	94.4	170.7	-83.2	-95.5	0	0	0	109.5
295	V	32.3	Very low	35.4	Very low	84 Å²	84	123.5 Å²	123.5	51%	0.509	61%	0.612	S	S	.	*			trans	-69.4	132	169.8	-178.4	0	0	0	0	109.2	P289 E293 C297	P289-V295 HydrophobicContact CG-CG2 3.51Å; E293-V295 PolarHBondContact O-N 2.93Å; E293-V295 VanDerWaalsContact O-N 3.14Å; V295-C297 PolarHBondContact O-N 2.89Å
296	D	36.3	Very low	35.8	Very low	91 Å²	91	116 Å²	116	49%	0.487	60%	0.596	S	S	.	*			trans	-67	113.6	172.7	-162.3	-43.2	0	0	0	109.4	T298	D296-T298 PolarHBondContact O-N 3.48Å; D296-T298 VanDerWaalsContact O-N 3.14Å; D296-T298 WeakPolarHBondContact OD1-CB 3.39Å; D296-T298 VanDerWaalsContact OD1-CG2 3.29Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.38Å; D296-T298 PolarHBondContact OD1-N 2.93Å; D296-T298 VanDerWaalsContact OD1-N 3.16Å; D296-T298 PolarHBondContact OD1-OG1 3.42Å
297	C	31.9	Very low	36.4	Very low	62 Å²	62	108.9 Å²	108.9	42%	0.419	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-68.3	-12.7	-173	-65.4	0	0	0	0	113.4	V295 E299 T300	V295-C297 PolarHBondContact O-N 2.89Å; C297-E299 PolarHBondContact O-N 3.45Å; C297-T300 PolarHBondContact O-N 3.38Å; C297-T300 VanDerWaalsContact O-N 3.16Å; C297-T300 PolarHBondContact O-OG1 3.06Å
298	T	36.3	Very low	36.4	Very low	61 Å²	61	100.3 Å²	100.3	37%	0.374	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-60.5	-36.9	-174.9	50	0	0	0	0	114	Y254 D296 T300	Y254-T298 HydrophobicContact CD1-CG2 3.46Å; Y254-T298 VanDerWaalsContact CD1-CG2 3.46Å; Y254-T298 HydrophobicContact CE1-CG2 3.91Å; Y254-T298 HydrophobicContact CG-CG2 4.47Å; D296-T298 PolarHBondContact O-N 3.48Å; D296-T298 VanDerWaalsContact O-N 3.14Å; D296-T298 WeakPolarHBondContact OD1-CB 3.39Å; D296-T298 VanDerWaalsContact OD1-CG2 3.29Å; D296-T298 WeakPolarHBondContact OD1-CG2 3.38Å; D296-T298 PolarHBondContact OD1-N 2.93Å; D296-T298 VanDerWaalsContact OD1-N 3.16Å; D296-T298 PolarHBondContact OD1-OG1 3.42Å; T298-T300 PolarHBondContact O-N 2.63Å; T298-T300 VanDerWaalsContact O-N 3.16Å
299	E	39	Very low	37	Very low	184 Å²	184	93.8 Å²	93.8	86%	0.86	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-69.1	-9.6	178.9	-62.7	-165.8	147.1	0	0	113.9	C297	C297-E299 PolarHBondContact O-N 3.45Å
300	T	38.9	Very low	37.2	Very low	64 Å²	64	92 Å²	92	39%	0.393	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-103.4	-2.2	-173.4	68.4	0	0	0	0	114.9	C297 T298	C297-T300 PolarHBondContact O-N 3.38Å; C297-T300 VanDerWaalsContact O-N 3.16Å; C297-T300 PolarHBondContact O-OG1 3.06Å; T298-T300 PolarHBondContact O-N 2.63Å; T298-T300 VanDerWaalsContact O-N 3.16Å
301	L	32.4	Very low	37.2	Very low	75 Å²	75	84.8 Å²	84.8	39%	0.393	47%	0.469	S	S	.	.			trans	-92.2	131.4	179.2	-69.1	172.7	0	0	0	111	D303	L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 2.77Å
302	P	38.5	Very low	37.3	Very low	106 Å²	106	79.9 Å²	79.9	69%	0.688	44%	0.444	S	S	*	.	S	Bend	trans	-73.3	-20.8	179.9	30.4	-35.7	0	0	0	113.5
303	D	38.6	Very low	37.6	Very low	129 Å²	129	78.1 Å²	78.1	69%	0.69	42%	0.424	S	S	*	.	S	Bend	trans	-123	140.4	178.2	-62.9	-69.9	0	0	0	109.6	L301	L301-D303 VanDerWaalsContact C-N 3.29Å; L301-D303 PolarHBondContact O-N 2.77Å
304	H	39.9	Very low	38	Very low	178 Å²	178	75.9 Å²	75.9	82%	0.824	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.6	129	171.4	-71.1	-55	0	0	0	110.3	A306	H304-A306 PolarHBondContact O-N 3.16Å
305	P	38.6	Very low	37.9	Very low	47 Å²	47	67.8 Å²	67.8	31%	0.305	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.6	135.9	-177.3	29.1	-35.9	0	0	0	111.6	P253	P253-P305 HydrophobicContact CB-CB 3.7Å; P253-P305 HydrophobicContact CB-CG 3.66Å; P253-P305 HydrophobicContact CG-CB 4.43Å; P253-P305 HydrophobicContact CG-CG 3.96Å
306	A	40	Very low	38.3	Very low	57 Å²	57	65.9 Å²	65.9	47%	0.471	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-68.4	142.3	178.3	0	0	0	0	0	111.6	H304	H304-A306 PolarHBondContact O-N 3.16Å
307	A	42.1	Very low	38.2	Very low	14 Å²	14	64.7 Å²	64.7	12%	0.116	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-70.8	132.4	174.3	0	0	0	0	0	110.5	F309 K337	A307-F309 HydrophobicContact CB-CE2 4.34Å; A307-K337 PolarHBondContact O-N 2.86Å; A307-K337 VanDerWaalsContact O-N 3.16Å
308	V	38.1	Very low	38.4	Very low	49 Å²	49	72.1 Å²	72.1	30%	0.297	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.6	-180	-175.8	0	0	0	0	110	Y251 K337	Y251-V308 PolarHBondContact N-O 3.38Å; V308-K337 WeakPolarHBondContact CA-O 3.28Å; V308-K337 HydrophobicContact CG2-CB 4.34Å
309	F	46	Very low	38.7	Very low	41 Å²	41	71.5 Å²	71.5	18%	0.18	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.6	172	-75.6	-89.7	0	0	0	109.4	V248 E250 A307 K337 A338 S339	V248-F309 HydrophobicContact CG1-CD1 4.44Å; E250-F309 HydrophobicContact CB-CE1 4.31Å; E250-F309 HydrophobicContact CG-CD1 4.49Å; E250-F309 HydrophobicContact CG-CE1 3.97Å; E250-F309 HydrophobicContact CG-CZ 4.25Å; E250-F309 WeakPolarHBondContact OE1-CZ 3.28Å; A307-F309 HydrophobicContact CB-CE2 4.34Å; F309-K337 PolarHBondContact N-O 3.02Å; F309-A338 CarbonylContact O-C 3.12Å; F309-A338 WeakPolarHBondContact O-CA 3.26Å; F309-S339 PolarHBondContact O-N 3.34Å
310	T	40.6	Very low	38.4	Very low	11 Å²	11	64 Å²	64	7%	0.067	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.3	174.5	-56.9	0	0	0	0	110.1	I249 S339 I341	I249-T310 PolarHBondContact N-O 3.29Å; I249-T310 PolarHBondContact O-N 3.03Å; T310-S339 CarbonylContact C-O 3.54Å; T310-S339 VanDerWaalsContact CA-O 3.31Å; T310-S339 WeakPolarHBondContact CA-O 3.27Å; T310-I341 HydrophobicContact CG2-CD1 3.76Å; T310-I341 HydrophobicContact CG2-CG1 4.18Å
311	V	41.3	Very low	38.3	Very low	10 Å²	10	67.6 Å²	67.6	6%	0.061	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110	177.2	-174.9	0	0	0	0	107.9	L204 T246 I313 S339 V340 I341	L204-V311 HydrophobicContact CD1-CG2 3.66Å; T246-V311 HydrophobicContact CG2-CG1 3.57Å; V311-I313 HydrophobicContact CG1-CG1 4.23Å; V311-S339 PolarHBondContact N-O 2.83Å; V311-V340 HydrophobicContact CB-CG2 4.4Å; V311-V340 CarbonylContact O-C 3.55Å; V311-V340 WeakPolarHBondContact O-CA 3.46Å; V311-I341 PolarHBondContact O-N 3.29Å
312	C	37.6	Very low	38.4	Very low	25 Å²	25	67.6 Å²	67.6	17%	0.169	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124	170.3	-96.8	0	0	0	0	109.2	S247	S247-C312 PolarHBondContact N-O 3.03Å; S247-C312 PolarHBondContact O-N 3.2Å; S247-C312 VanDerWaalsContact OG-CB 3.26Å; S247-C312 WeakPolarHBondContact OG-CB 3.31Å; S247-C312 PolarHBondContact OG-O 3.48Å
313	I	36.1	Very low	38.1	Very low	9 Å²	9	66.7 Å²	66.7	5%	0.046	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.7	172.5	-58.5	178.6	0	0	0	107.4	L215 L244 V311 V340 I341 V342 C343	L215-I313 HydrophobicContact CD1-CD1 4.35Å; L215-I313 HydrophobicContact CD2-CD1 3.58Å; L244-I313 HydrophobicContact CD2-CG2 4.01Å; L244-I313 HydrophobicContact CG-CG2 4.14Å; V311-I313 HydrophobicContact CG1-CG1 4.23Å; I313-V340 HydrophobicContact CD1-CG1 3.64Å; I313-V340 HydrophobicContact CG1-CG1 4.1Å; I313-I341 PolarHBondContact N-O 3.02Å; I313-V342 HydrophobicContact CD1-CG2 4.47Å; I313-C343 PolarHBondContact O-N 3.04Å
314	I	38.7	Very low	37.7	Very low	93 Å²	93	70.7 Å²	70.7	48%	0.477	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.2	177.3	-56.5	177.4	0	0	0	107.3	F245	F245-I314 HydrophobicContact CB-CB 4.45Å; F245-I314 PolarHBondContact N-O 2.89Å; F245-I314 PolarHBondContact O-N 3.39Å
315	C	34.1	Very low	37.4	Very low	34 Å²	34	66.9 Å²	66.9	23%	0.23	37%	0.368	C	S	.	.			trans	-79.1	146	170.3	-59.2	0	0	0	0	109.6	A320	C315-A320 HydrophobicContact CB-CB 4.32Å
316	D	38.8	Very low	37.4	Very low	44 Å²	44	70.3 Å²	70.3	24%	0.235	39%	0.388	C	S	.	.			trans	-71.8	171.6	171.9	67.9	35.9	0	0	0	111.9	Y318 T319	D316-Y318 PolarHBondContact O-N 3.19Å; D316-Y318 PolarHBondContact OD1-N 3.48Å; D316-T319 PolarHBondContact N-OG1 3.37Å; D316-T319 PolarHBondContact O-OG1 2.95Å; D316-T319 WeakPolarHBondContact OD1-CB 3.28Å; D316-T319 WeakPolarHBondContact OD1-CG2 3.39Å; D316-T319 PolarHBondContact OD1-N 3.28Å; D316-T319 PolarHBondContact OD1-OG1 3.45Å
317	G	34.3	Very low	37.4	Very low	66 Å²	66	73.5 Å²	73.5	68%	0.68	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.2	-178.7	0	0	0	0	0	115.5
318	Y	36.2	Very low	37.5	Very low	218 Å²	218	79.9 Å²	79.9	86%	0.855	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-33.3	-179.3	-79.2	-82.2	0	0	0	112.5	D316	D316-Y318 PolarHBondContact O-N 3.19Å; D316-Y318 PolarHBondContact OD1-N 3.48Å
319	T	42.7	Very low	37.6	Very low	47 Å²	47	79.8 Å²	79.8	29%	0.288	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.7	-175.5	46.6	0	0	0	0	114.1	L242 D316 T321	L242-T319 HydrophobicContact CD1-CG2 4.2Å; L242-T319 HydrophobicContact CG-CG2 3.86Å; D316-T319 PolarHBondContact N-OG1 3.37Å; D316-T319 PolarHBondContact O-OG1 2.95Å; D316-T319 WeakPolarHBondContact OD1-CB 3.28Å; D316-T319 WeakPolarHBondContact OD1-CG2 3.39Å; D316-T319 PolarHBondContact OD1-N 3.28Å; D316-T319 PolarHBondContact OD1-OG1 3.45Å; T319-T321 PolarHBondContact O-N 3.48Å
320	A	33.5	Very low	37.4	Very low	28 Å²	28	81 Å²	81	23%	0.231	42%	0.418	C	S	.	.			trans	-96.6	86.6	-176.7	0	0	0	0	0	112.8	C315 P345	C315-A320 HydrophobicContact CB-CB 4.32Å; A320-P345 HydrophobicContact CB-CG 3.85Å
321	T	36.9	Very low	37.6	Very low	138 Å²	138	85.8 Å²	85.8	85%	0.847	44%	0.436	S	S	*	.			trans	-86.1	0.4	-173.7	50.8	0	0	0	0	116	T319	T319-T321 PolarHBondContact O-N 3.48Å
322	D	33.8	Very low	37.6	Very low	76 Å²	76	92 Å²	92	41%	0.406	46%	0.462	S	S	.	.	S	Bend	trans	-126.6	140.7	177.4	-172.7	15.5	0	0	0	113.5	R324 F325	D322-R324 PolarHBondContact O-N 3.32Å; D322-R324 VanDerWaalsContact O-N 3.09Å; D322-F325 HydrophobicContact CB-CD2 4Å; D322-F325 HydrophobicContact CB-CE2 3.88Å; D322-F325 WeakPolarHBondContact OD2-CE2 3.46Å
323	V	32.9	Very low	38.2	Very low	87 Å²	87	94.6 Å²	94.6	53%	0.527	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	19.5	-161.1	-177.5	0	0	0	0	112.7	T347	V323-T347 HydrophobicContact CB-CG2 4.38Å; V323-T347 HydrophobicContact CG1-CG2 3.8Å; V323-T347 HydrophobicContact CG2-CG2 4.23Å
324	R	29.3	Very low	38.7	Very low	212 Å²	212	99.8 Å²	99.8	80%	0.8	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	6.2	-169.7	-98.5	178.5	-68.5	-164.2	-1.6	117	D322 T326	D322-R324 PolarHBondContact O-N 3.32Å; D322-R324 VanDerWaalsContact O-N 3.09Å; R324-T326 PolarHBondContact O-N 3.47Å; R324-T326 VanDerWaalsContact O-N 3.09Å
325	F	33.7	Very low	39.3	Very low	99 Å²	99	99.3 Å²	99.3	43%	0.434	51%	0.514	S	S	.	.			trans	-83.5	91.9	-172	-83.3	-92.8	0	0	0	114.8	D322 K327 G344	D322-F325 HydrophobicContact CB-CD2 4Å; D322-F325 HydrophobicContact CB-CE2 3.88Å; D322-F325 WeakPolarHBondContact OD2-CE2 3.46Å; F325-K327 HydrophobicContact CD1-CB 4.42Å; F325-G344 PolarHBondContact O-N 2.78Å
326	T	39.7	Very low	40	Very low	119 Å²	119	98.1 Å²	98.1	73%	0.73	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	93.1	147	-48.6	0	0	0	0	107.8	R324	R324-T326 PolarHBondContact O-N 3.47Å; R324-T326 VanDerWaalsContact O-N 3.09Å
327	K	38.4	Very low	40.5	Very low	124 Å²	124	99.2 Å²	99.2	54%	0.539	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.2	-177.7	-163.8	177.7	-178.4	-173.9	0	109.3	F325 V329 V342	F325-K327 HydrophobicContact CD1-CB 4.42Å; K327-V329 HydrophobicContact CG-CG2 4.35Å; K327-V342 HydrophobicContact CB-CB 4.48Å; K327-V342 PolarHBondContact N-O 3.19Å; K327-V342 PolarHBondContact O-N 3.16Å
328	R	44.4	Very low	41	Very low	147 Å²	147	96.5 Å²	96.5	56%	0.555	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.6	169.3	-164	-179.8	-152.2	-164.7	13.9	108.8	E330 V340 I341	R328-E330 WeakPolarHBondContact CD-OE1 3.25Å; R328-E330 HydrophobicContact CG-CG 4.16Å; R328-E330 IonicContact CZ-OE1 3.98Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.33Å; R328-E330 PolarHBondContact NH1-OE1 2.63Å; R328-V340 CarbonylContact C-O 3.59Å; R328-V340 WeakPolarHBondContact CA-O 3.37Å; R328-I341 HydrophobicContact CG-CG1 4.38Å
329	V	40.8	Very low	41.4	Very low	48 Å²	48	86.3 Å²	86.3	29%	0.291	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.6	173	-171.1	0	0	0	0	107.5	K327 Y331 S339 V340	K327-V329 HydrophobicContact CG-CG2 4.35Å; V329-Y331 HydrophobicContact CG1-CD2 3.92Å; V329-Y331 HydrophobicContact CG1-CE2 3.51Å; V329-S339 WeakPolarHBondContact O-CA 3.18Å; V329-V340 HydrophobicContact CB-CB 4.33Å; V329-V340 PolarHBondContact N-O 3.18Å; V329-V340 PolarHBondContact O-N 3.16Å
330	E	42.4	Very low	41.1	Very low	66 Å²	66	84.7 Å²	84.7	31%	0.308	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115.8	178.1	-64.6	-170.8	-155.4	0	0	109.6	R328 F332 K337 A338	R328-E330 WeakPolarHBondContact CD-OE1 3.25Å; R328-E330 HydrophobicContact CG-CG 4.16Å; R328-E330 IonicContact CZ-OE1 3.98Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.33Å; R328-E330 PolarHBondContact NH1-OE1 2.63Å; E330-F332 HydrophobicContact CB-CD2 4.26Å; E330-F332 HydrophobicContact CB-CE2 3.61Å; E330-F332 HydrophobicContact CB-CZ 4.36Å; E330-F332 WeakPolarHBondContact O-CD2 3.29Å; E330-K337 WeakPolarHBondContact OE2-CE 3.34Å; E330-K337 IonicContact OE2-NZ 2.75Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å; E330-A338 CarbonylContact C-O 3.29Å; E330-A338 WeakPolarHBondContact CA-O 3.48Å
331	Y	45.2	Very low	41.5	Very low	112 Å²	112	85.4 Å²	85.4	44%	0.439	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.3	172.7	-80.9	-92.4	0	0	0	109.8	V329 A338	V329-Y331 HydrophobicContact CG1-CD2 3.92Å; V329-Y331 HydrophobicContact CG1-CE2 3.51Å; Y331-A338 PolarHBondContact N-O 2.98Å; Y331-A338 PolarHBondContact O-N 3.04Å; Y331-A338 VanDerWaalsContact O-N 3.1Å
332	F	40.3	Very low	41.4	Very low	141 Å²	141	80.4 Å²	80.4	62%	0.618	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	89.5	-175.2	-69.9	-108.4	0	0	0	110.1	E330	E330-F332 HydrophobicContact CB-CD2 4.26Å; E330-F332 HydrophobicContact CB-CE2 3.61Å; E330-F332 HydrophobicContact CB-CZ 4.36Å; E330-F332 WeakPolarHBondContact O-CD2 3.29Å
333	N	49.3	Very low	41.6	Very low	78 Å²	78	79.2 Å²	79.2	42%	0.417	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	89.8	169.5	-87.6	-7	0	0	0	108.9	C336	N333-C336 CarbonylContact C-O 3.56Å; N333-C336 PolarHBondContact N-O 3.23Å; N333-C336 PolarHBondContact O-N 3.34Å
334	S	47.2	Very low	41.9	Very low	118 Å²	118	76.3 Å²	76.3	83%	0.825	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	130.3	177.1	-177.4	0	0	0	0	111
335	P	52	Low	42.2	Very low	84 Å²	84	69 Å²	69	55%	0.545	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.5	7.3	14.7	36.7	-37	0	0	0	115.5
336	C	47.9	Very low	41.8	Very low	8 Å²	8	74.9 Å²	74.9	5%	0.054	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.1	-169.9	-61.1	0	0	0	0	112	C209 N333	C209-C336 VanDerWaalsContact SG-SG 3.68Å; N333-C336 CarbonylContact C-O 3.56Å; N333-C336 PolarHBondContact N-O 3.23Å; N333-C336 PolarHBondContact O-N 3.34Å
337	K	48.8	Very low	41.3	Very low	68 Å²	68	72.7 Å²	72.7	30%	0.296	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.6	171.3	-143.7	-169.8	-162.8	-162.5	0	110.3	A307 V308 F309 E330	A307-K337 PolarHBondContact O-N 2.86Å; A307-K337 VanDerWaalsContact O-N 3.16Å; V308-K337 WeakPolarHBondContact CA-O 3.28Å; V308-K337 HydrophobicContact CG2-CB 4.34Å; F309-K337 PolarHBondContact N-O 3.02Å; E330-K337 WeakPolarHBondContact OE2-CE 3.34Å; E330-K337 IonicContact OE2-NZ 2.75Å; E330-K337 PolarHBondContact OE2-NZ 3.14Å
338	A	45.7	Very low	40.7	Very low	9 Å²	9	75.6 Å²	75.6	7%	0.074	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.2	171.3	0	0	0	0	0	109.2	F213 F309 E330 Y331	F213-A338 HydrophobicContact CD1-CB 4.22Å; F213-A338 HydrophobicContact CE1-CB 3.7Å; F213-A338 HydrophobicContact CZ-CB 3.91Å; F309-A338 CarbonylContact O-C 3.12Å; F309-A338 WeakPolarHBondContact O-CA 3.26Å; E330-A338 CarbonylContact C-O 3.29Å; E330-A338 WeakPolarHBondContact CA-O 3.48Å; Y331-A338 PolarHBondContact N-O 2.98Å; Y331-A338 PolarHBondContact O-N 3.04Å; Y331-A338 VanDerWaalsContact O-N 3.1Å
339	S	43.8	Very low	39.8	Very low	3 Å²	3	77.7 Å²	77.7	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119	170.3	73.2	0	0	0	0	111.4	F309 T310 V311 V329	F309-S339 PolarHBondContact O-N 3.34Å; T310-S339 CarbonylContact C-O 3.54Å; T310-S339 VanDerWaalsContact CA-O 3.31Å; T310-S339 WeakPolarHBondContact CA-O 3.27Å; V311-S339 PolarHBondContact N-O 2.83Å; V329-S339 WeakPolarHBondContact O-CA 3.18Å
340	V	38.2	Very low	39.1	Very low	14 Å²	14	81.5 Å²	81.5	9%	0.085	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.8	171.4	-172.2	0	0	0	0	107.9	L215 V311 I313 R328 V329 V342	L215-V340 HydrophobicContact CD1-CG1 4.48Å; L215-V340 HydrophobicContact CD1-CG2 4.12Å; V311-V340 HydrophobicContact CB-CG2 4.4Å; V311-V340 CarbonylContact O-C 3.55Å; V311-V340 WeakPolarHBondContact O-CA 3.46Å; I313-V340 HydrophobicContact CD1-CG1 3.64Å; I313-V340 HydrophobicContact CG1-CG1 4.1Å; R328-V340 CarbonylContact C-O 3.59Å; R328-V340 WeakPolarHBondContact CA-O 3.37Å; V329-V340 HydrophobicContact CB-CB 4.33Å; V329-V340 PolarHBondContact N-O 3.18Å; V329-V340 PolarHBondContact O-N 3.16Å; V340-V342 HydrophobicContact CG1-CG2 4.24Å
341	I	41.2	Very low	38.4	Very low	42 Å²	42	82.6 Å²	82.6	22%	0.215	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109.8	174.7	-54.8	179.2	0	0	0	107.2	T310 V311 I313 R328	T310-I341 HydrophobicContact CG2-CD1 3.76Å; T310-I341 HydrophobicContact CG2-CG1 4.18Å; V311-I341 PolarHBondContact O-N 3.29Å; I313-I341 PolarHBondContact N-O 3.02Å; R328-I341 HydrophobicContact CG-CG1 4.38Å
342	V	34.8	Very low	37.6	Very low	33 Å²	33	82.3 Å²	82.3	20%	0.2	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.2	174.9	-173.9	0	0	0	0	109.2	I313 K327 V340	I313-V342 HydrophobicContact CD1-CG2 4.47Å; K327-V342 HydrophobicContact CB-CB 4.48Å; K327-V342 PolarHBondContact N-O 3.19Å; K327-V342 PolarHBondContact O-N 3.16Å; V340-V342 HydrophobicContact CG1-CG2 4.24Å
343	C	38.2	Very low	36.9	Very low	51 Å²	51	83.8 Å²	83.8	35%	0.345	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.1	-176.5	-71.8	0	0	0	0	111.4	I313	I313-C343 PolarHBondContact O-N 3.04Å
344	G	38.3	Very low	35.8	Very low	27 Å²	27	87.4 Å²	87.4	28%	0.278	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-93.2	165.9	170.1	0	0	0	0	0	113.7	F325	F325-G344 PolarHBondContact O-N 2.78Å
345	P	35.2	Very low	34.8	Very low	58 Å²	58	91.8 Å²	91.8	38%	0.377	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-83.5	153.3	-163.7	32.7	-36.2	0	0	0	115.2	A320	A320-P345 HydrophobicContact CB-CG 3.85Å
346	F	25.6	Very low	33.8	Very low	222 Å²	222	93.2 Å²	93.2	97%	0.974	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-82.6	145.2	170.7	-121.1	-97.2	0	0	0	111.3
347	T	29.8	Very low	32.8	Very low	74 Å²	74	96.2 Å²	96.2	45%	0.454	54%	0.54	S	S	.	.			trans	-113.8	157.4	-149.5	50.5	0	0	0	0	117.8	V323	V323-T347 HydrophobicContact CB-CG2 4.38Å; V323-T347 HydrophobicContact CG1-CG2 3.8Å; V323-T347 HydrophobicContact CG2-CG2 4.23Å
348	F	24.5	Very low	31.9	Very low	185 Å²	185	100.1 Å²	100.1	81%	0.811	57%	0.565	S	S	*	*			trans	51.4	103.2	152.8	-96.2	-92.2	0	0	0	119.7
349	K	25.7	Very low	31.2	Very low	190 Å²	190	107.5 Å²	107.5	83%	0.826	60%	0.597	S	S	*	*				-179.3	120	111.6	-99.1	166.8	-176.6	176.5	0	113
350	S	27.1	Very low	30.3	Very low	128 Å²	128	112.4 Å²	112.4	90%	0.895	62%	0.623	S	S	*	*			trans	-135.4	135.9	138.7	-168.3	0	0	0	0	107.2
351	C	28.4	Very low	29.9	Very low	90 Å²	90	122.3 Å²	122.3	61%	0.608	66%	0.659	S	S	*	*			trans	-102.5	125.9	-163.3	-65	0	0	0	0	112.8
352	S	27.4	Very low	29.3	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	68%	0.683	S	S	*	*			trans	34.7	89.2	139.6	62.5	0	0	0	0	117.5
353	N	25.2	Very low	29.1	Very low	171 Å²	171	133.6 Å²	133.6	91%	0.914	71%	0.708	S	S	*	*			trans	-106.8	67	156.7	-116	-4.8	0	0	0	110.1
354	I	27.2	Very low	28.8	Very low	155 Å²	155	137 Å²	137	80%	0.795	72%	0.723	S	S	*	*	S	Bend	trans	-151.2	135.4	156.9	-99.9	150	0	0	0	106.8
355	K	26.1	Very low	28.4	Very low	209 Å²	209	141.9 Å²	141.9	91%	0.909	74%	0.743	S	S	*	*			trans	-85.2	128.6	-170.3	-61.9	167	-176.7	168.3	0	110.8
356	S	30.6	Very low	28.3	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	76%	0.763	S	S	*	*			trans	-151.3	138.2	161.7	56.6	0	0	0	0	112.9
357	G	27.9	Very low	28.6	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	75%	0.746	S	S	*	*			trans	45.5	93.5	154.1	0	0	0	0	0	122.2
358	N	29.2	Very low	28.6	Very low	151 Å²	151	146.8 Å²	146.8	81%	0.807	76%	0.76	S	S	*	*				44.2	134	123	-65.2	-13.1	0	0	0	123.2
359	H	30.4	Very low	29	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.755	75%	0.751	S	S	*	*			trans	73.6	151.4	145.8	-79.5	-133.4	0	0	0	119.5
360	L	26	Very low	29.3	Very low	107 Å²	107	138.6 Å²	138.6	56%	0.56	74%	0.741	S	S	*	*			cis	-171.7	138.8	-30.2	-144.2	72.8	0	0	0	111.1
361	R	29.4	Very low	29.4	Very low	222 Å²	222	141.2 Å²	141.2	84%	0.838	74%	0.736	S	S	*	*			trans	66.6	162.5	158	-71.9	164.3	-167.1	-179.2	5.3	119
362	K	27.6	Very low	29.6	Very low	167 Å²	167	142.9 Å²	142.9	73%	0.726	74%	0.744	S	S	*	*			cis	-177.6	174.7	-26	-167.1	-177.6	-179.3	-165.4	0	109.5
363	I	32	Very low	29.8	Very low	144 Å²	144	147.3 Å²	147.3	74%	0.738	75%	0.75	S	S	*	*			trans	92.3	118.5	162.7	-54.6	178.3	0	0	0	114.4
364	D	30.4	Very low	30.2	Very low	122 Å²	122	143.6 Å²	143.6	65%	0.652	74%	0.737	S	S	*	*			cis	95.7	137.3	28.5	-52.7	-38.5	0	0	0	112.3
365	N	31	Very low	30.5	Very low	131 Å²	131	143 Å²	143	70%	0.701	74%	0.735	S	S	*	*			cis	-165.3	-161.5	5.5	-148.4	-36.5	0	0	0	112.7
366	F	32.8	Very low	30.9	Very low	181 Å²	181	139.6 Å²	139.6	79%	0.794	73%	0.728	S	S	*	*			trans	91.5	150	163.5	-59.1	-78.2	0	0	0	121.2
367	N	31.2	Very low	31.1	Very low	114 Å²	114	140.9 Å²	140.9	61%	0.61	73%	0.725	S	S	*	*			cis	173.8	173	-38.3	-93.3	22.7	0	0	0	108.2
368	E	31.3	Very low	31.5	Very low	161 Å²	161	145.3 Å²	145.3	75%	0.752	73%	0.726	S	S	*	*			cis	-170.3	-171.4	-11.3	-104.1	-178.2	103.9	0	0	107.8
369	V	32.2	Very low	31.6	Very low	103 Å²	103	145 Å²	145	62%	0.624	72%	0.724	S	S	*	*			cis	-157.8	124.8	3.1	99.3	0	0	0	0	115
370	T	31.1	Very low	31.7	Very low	100 Å²	100	140.2 Å²	140.2	61%	0.613	72%	0.719	S	S	*	*			trans	40.3	156.6	138.3	75.7	0	0	0	0	129.6
371	K	30.9	Very low	32	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.796	73%	0.728	S	S	*	*			trans	104.3	159.9	146.5	-69.6	153.6	-170.8	168.5	0	121.1
372	T	31.6	Very low	32.3	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	72%	0.724	S	S	*	*				-167.6	163.1	-77.5	28.5	0	0	0	0	114.4
373	K	32.4	Very low	32.7	Very low	199 Å²	199	136 Å²	136	87%	0.865	72%	0.72	S	S	*	*			trans	92.7	160.6	168.1	-62.5	-174.9	179	-177.2	0	119.8
374	S	33.4	Very low	32.8	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	72%	0.722	S	S	*	*			cis	-178.5	143.3	-34	62.4	0	0	0	0	116
375	N	34	Very low	32.9	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	72%	0.72	S	S	*	*			trans	74.3	118.2	143.8	-67.5	17.1	0	0	0	126.6
376	N	33	Very low	33	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	73%	0.726	S	S	*	*				93.1	132.7	118.3	-83.3	3.8	0	0	0	128.2
377	L	34.9	Very low	32.7	Very low	142 Å²	142	133.5 Å²	133.5	74%	0.743	72%	0.723	S	S	*	*			trans	115	132.6	130.3	-80	155.3	0	0	0	124.4
378	H	35.7	Very low	32.8	Very low	162 Å²	162	132 Å²	132	75%	0.75	72%	0.721	S	S	*	*			trans	79.3	155.6	148.4	-93.4	46.8	0	0	0	123.3
379	N	31.4	Very low	32.7	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	72%	0.72	S	S	*	*			cis	-171.5	162.8	-47.8	-144.9	-12.7	0	0	0	113.6
380	G	33.4	Very low	32.6	Very low	62 Å²	62	131.7 Å²	131.7	64%	0.639	72%	0.721	S	S	*	*			trans	110.6	119.7	164.7	0	0	0	0	0	115.8
381	S	33.4	Very low	32.4	Very low	108 Å²	108	134 Å²	134	76%	0.755	72%	0.724	S	S	*	*			cis	89.5	120.8	45.2	-157.6	0	0	0	0	112.4
382	M	35.6	Very low	32.4	Very low	151 Å²	151	131.4 Å²	131.4	74%	0.744	72%	0.718	S	S	*	*				-170.6	173.8	65.7	-76.5	-170.1	-161.8	0	0	109.7
383	K	35	Very low	32.5	Very low	148 Å²	148	132.1 Å²	132.1	64%	0.643	72%	0.717	S	S	*	*			cis	-174.4	152.1	-15.3	-101.9	172.4	-175.7	165.4	0	109.9
384	N	33.4	Very low	32.4	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	71%	0.714	S	S	*	*			trans	61.4	156	139.2	-65.6	24.2	0	0	0	121.3
385	S	33.3	Very low	32.3	Very low	86 Å²	86	134 Å²	134	60%	0.601	72%	0.719	S	S	*	*			cis	-174.7	140.2	-3.6	147.2	0	0	0	0	113.4
386	L	32.4	Very low	32.2	Very low	157 Å²	157	134.7 Å²	134.7	82%	0.822	72%	0.718	S	S	*	*			trans	48	165.2	141.6	-55.7	171.5	0	0	0	122.3
387	N	28.3	Very low	32	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	71%	0.711	S	S	*	*			cis	-170.7	173.9	-39.7	-163.5	19.9	0	0	0	110.5
388	S	31.7	Very low	31.6	Very low	81 Å²	81	132.9 Å²	132.9	57%	0.566	71%	0.709	S	S	*	*			trans	68.9	119.1	147	56.6	0	0	0	0	125.2
389	N	30.4	Very low	31.5	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	71%	0.713	S	S	*	*				82.3	130.4	121.1	-61.5	17.3	0	0	0	125
390	N	28.4	Very low	31.5	Very low	120 Å²	120	134.2 Å²	134.2	64%	0.642	71%	0.711	S	S	*	*				64.7	156.2	129.7	-62.8	31.8	0	0	0	120.9
391	E	28.7	Very low	31.3	Very low	147 Å²	147	137.6 Å²	137.6	69%	0.687	72%	0.715	S	S	*	*			cis	-166.8	155.7	-11	-111.4	168.8	146.4	0	0	112.4
392	I	30.3	Very low	31.3	Very low	129 Å²	129	138.4 Å²	138.4	66%	0.662	71%	0.711	S	S	*	*			trans	68.2	172	145.8	-58.6	160.4	0	0	0	119.9
393	D	34.2	Very low	31.3	Very low	141 Å²	141	137 Å²	137	75%	0.754	71%	0.706	S	S	*	*			trans	80.3	112.7	-173.9	-54.2	-18.7	0	0	0	114.7
394	E	29.4	Very low	31.2	Very low	171 Å²	171	137.2 Å²	137.2	80%	0.799	71%	0.709	S	S	*	*				68.8	136.9	54.8	-57.3	-168.5	170.9	0	0	112
395	E	32	Very low	31.1	Very low	162 Å²	162	138.5 Å²	138.5	76%	0.757	71%	0.71	S	S	*	*			cis	-160	170.7	28.1	-146.2	179.1	-175.5	0	0	111.1
396	E	31.9	Very low	31.1	Very low	155 Å²	155	141.5 Å²	141.5	72%	0.724	72%	0.72	S	S	*	*			trans	53.2	168.4	152.4	-69.1	-115.8	102.8	0	0	122.3
397	N	27.6	Very low	31.5	Very low	112 Å²	112	141.5 Å²	141.5	60%	0.599	72%	0.72	S	S	*	*				-166.2	148.8	-56.9	-127	-32.4	0	0	0	108.8
398	N	27.6	Very low	32.1	Very low	131 Å²	131	144.1 Å²	144.1	70%	0.701	73%	0.728	S	S	*	*			trans	45.3	115	159	-62.7	-57.1	0	0	0	121.6
399	K	33.2	Very low	32.5	Very low	191 Å²	191	146.3 Å²	146.3	83%	0.83	73%	0.734	S	S	*	*				-175.9	124.5	111.1	-99.7	155.7	-172.3	166.9	0	115.1
400	L	32.1	Very low	33	Very low	143 Å²	143	143.5 Å²	143.5	75%	0.749	73%	0.725	S	S	*	*			trans	57.5	118.7	138.6	-62.1	166.9	0	0	0	119.9
401	N	27.6	Very low	33.5	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	73%	0.73	S	S	*	*				37.8	128.8	118.4	-68.3	61.2	0	0	0	118.4
402	D	35	Very low	34.1	Very low	124 Å²	124	142.8 Å²	142.8	66%	0.663	73%	0.727	S	S	*	*			cis	-167.8	164.9	44.8	-112.7	-7.1	0	0	0	113.4
403	N	34.1	Very low	34.5	Very low	122 Å²	122	140.8 Å²	140.8	65%	0.652	72%	0.715	S	S	*	*			trans	72.9	114.6	152.6	-62.6	-30.6	0	0	0	122.5
404	H	33.8	Very low	35.3	Very low	152 Å²	152	137.9 Å²	137.9	70%	0.704	70%	0.703	S	S	*	*			trans	57.1	130.9	142	-62.8	-70.1	0	0	0	120.3
405	E	32.2	Very low	36	Very low	175 Å²	175	134.5 Å²	134.5	82%	0.818	69%	0.693	S	S	*	*			cis	64.4	74.6	32.1	-55.5	-168.6	154.1	0	0	115.1
406	D	32.7	Very low	36.8	Very low	149 Å²	149	127.8 Å²	127.8	80%	0.797	67%	0.668	S	S	*	*			trans	-169.9	96.8	161.9	-100	-32.9	0	0	0	109.6
407	D	40.5	Very low	37.8	Very low	157 Å²	157	126.7 Å²	126.7	84%	0.84	66%	0.657	S	S	*	*			trans	-156.1	-17.1	174.5	-123.4	-21.4	0	0	0	117
408	E	40.9	Very low	39	Very low	191 Å²	191	129.7 Å²	129.7	89%	0.893	66%	0.66	S	S	*	*	S	Bend	trans	-87.9	-26.1	-176.8	-65.2	-157.6	144.5	0	0	115.3	S410	E408-S410 PolarHBondContact O-N 3.34Å
409	D	39.2	Very low	39.9	Very low	127 Å²	127	128 Å²	128	68%	0.679	65%	0.65	S	S	*	*	H	α-helix	trans	-70.5	-14.9	-176.6	-85.9	-49	0	0	0	114.8	E411 C412 E413	D409-E411 PolarHBondContact O-N 3.38Å; D409-C412 PolarHBondContact O-N 3.14Å; D409-E413 PolarHBondContact O-N 2.96Å; D409-E413 VanDerWaalsContact O-N 3.12Å
410	S	42.5	Very low	40.9	Very low	81 Å²	81	126.2 Å²	126.2	57%	0.566	64%	0.638	S	S	*	*	H	α-helix	trans	-66	-35.4	-172.3	-160.9	0	0	0	0	113.8	E408 T414	E408-S410 PolarHBondContact O-N 3.34Å; S410-T414 WeakPolarHBondContact O-CG2 3.43Å; S410-T414 PolarHBondContact O-N 3.3Å; S410-T414 PolarHBondContact O-OG1 3.48Å
411	E	38.7	Very low	41.9	Very low	160 Å²	160	126 Å²	126	75%	0.748	63%	0.627	S	S	*	*	H	α-helix	trans	-74.2	-36.1	176.9	-65.9	-148.1	141.4	0	0	112.1	D409 T414 V415	D409-E411 PolarHBondContact O-N 3.38Å; E411-T414 WeakPolarHBondContact CA-OG1 3.29Å; E411-T414 PolarHBondContact O-N 2.84Å; E411-T414 PolarHBondContact O-OG1 3.14Å; E411-T414 VanDerWaalsContact O-OG1 3.12Å; E411-V415 WeakPolarHBondContact O-CG2 3.2Å; E411-V415 PolarHBondContact O-N 3.41Å
412	C	40.7	Very low	42.9	Very low	92 Å²	92	121.5 Å²	121.5	62%	0.622	60%	0.602	S	S	*	*	H	α-helix	trans	-64.3	-48	176.9	-170.7	0	0	0	0	111.4	D409 T414 V415 G416	D409-C412 PolarHBondContact O-N 3.14Å; C412-T414 PolarHBondContact O-N 2.77Å; C412-V415 PolarHBondContact O-N 2.95Å; C412-G416 PolarHBondContact O-N 3.37Å
413	E	38.2	Very low	43.8	Very low	87 Å²	87	120.5 Å²	120.5	41%	0.407	60%	0.596	S	S	.	*	H	α-helix	trans	-60.5	-42.4	176.3	-104.4	-110.6	79.3	0	0	112.6	D409 G416 R417	D409-E413 PolarHBondContact O-N 2.96Å; D409-E413 VanDerWaalsContact O-N 3.12Å; E413-G416 PolarHBondContact O-N 3.24Å; E413-R417 VanDerWaalsContact CD-NH2 3.33Å; E413-R417 VanDerWaalsContact O-CB 3.3Å; E413-R417 WeakPolarHBondContact O-CB 3.46Å; E413-R417 WeakPolarHBondContact O-CD 3.4Å; E413-R417 WeakPolarHBondContact O-CG 3.4Å; E413-R417 PolarHBondContact O-N 3.19Å; E413-R417 IonicContact OE1-CZ 3.77Å; E413-R417 IonicContact OE1-NE 2.95Å; E413-R417 PolarHBondContact OE1-NE 3.45Å; E413-R417 IonicContact OE1-NH2 3.72Å; E413-R417 PolarHBondContact OE1-NH2 2.91Å; E413-R417 IonicContact OE2-CZ 2.69Å; E413-R417 VanDerWaalsContact OE2-CZ 3.32Å; E413-R417 IonicContact OE2-NE 2.83Å; E413-R417 PolarHBondContact OE2-NE 3.23Å; E413-R417 IonicContact OE2-NH2 3.21Å; E413-R417 PolarHBondContact OE2-NH2 2.85Å
414	T	51.9	Low	44.8	Very low	80 Å²	80	124 Å²	124	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-70.2	-36.5	-179.1	49.1	0	0	0	0	112.9	S410 E411 C412 R418	S410-T414 WeakPolarHBondContact O-CG2 3.43Å; S410-T414 PolarHBondContact O-N 3.3Å; S410-T414 PolarHBondContact O-OG1 3.48Å; E411-T414 WeakPolarHBondContact CA-OG1 3.29Å; E411-T414 PolarHBondContact O-N 2.84Å; E411-T414 PolarHBondContact O-OG1 3.14Å; E411-T414 VanDerWaalsContact O-OG1 3.12Å; C412-T414 PolarHBondContact O-N 2.77Å; T414-R418 WeakPolarHBondContact O-CB 3.27Å; T414-R418 PolarHBondContact O-N 3.33Å; T414-R418 VanDerWaalsContact O-N 3.13Å
415	V	44.5	Very low	45.6	Very low	100 Å²	100	122.2 Å²	122.2	61%	0.606	59%	0.587	S	S	*	*	H	α-helix	trans	-65	-48.6	170.3	173.7	0	0	0	0	110.9	E411 C412 R417 R418 L419	E411-V415 WeakPolarHBondContact O-CG2 3.2Å; E411-V415 PolarHBondContact O-N 3.41Å; C412-V415 PolarHBondContact O-N 2.95Å; V415-R417 PolarHBondContact O-N 2.77Å; V415-R418 WeakPolarHBondContact O-CB 3.47Å; V415-R418 PolarHBondContact O-N 3.34Å; V415-L419 PolarHBondContact O-N 3.13Å
416	G	47.6	Very low	46.5	Very low	21 Å²	21	116.4 Å²	116.4	22%	0.216	56%	0.564	C	S	.	*	H	α-helix	trans	-61.6	-39.8	179.5	0	0	0	0	0	113.7	C412 E413 R418 R420	C412-G416 PolarHBondContact O-N 3.37Å; E413-G416 PolarHBondContact O-N 3.24Å; G416-R418 VanDerWaalsContact C-N 3.33Å; G416-R418 PolarHBondContact O-N 3.12Å; G416-R420 WeakPolarHBondContact O-CB 3.43Å; G416-R420 WeakPolarHBondContact O-CG 3.35Å; G416-R420 PolarHBondContact O-N 2.97Å; G416-R420 PolarHBondContact O-NE 2.83Å
417	R	53.5	Low	47.5	Very low	132 Å²	132	114.5 Å²	114.5	50%	0.498	55%	0.55	S	S	.	*	H	α-helix	trans	-64.1	-35.4	172.3	-71.9	167.5	-177.3	-157.6	1.5	112.1	E413 V415 R421	E413-R417 VanDerWaalsContact CD-NH2 3.33Å; E413-R417 VanDerWaalsContact O-CB 3.3Å; E413-R417 WeakPolarHBondContact O-CB 3.46Å; E413-R417 WeakPolarHBondContact O-CD 3.4Å; E413-R417 WeakPolarHBondContact O-CG 3.4Å; E413-R417 PolarHBondContact O-N 3.19Å; E413-R417 IonicContact OE1-CZ 3.77Å; E413-R417 IonicContact OE1-NE 2.95Å; E413-R417 PolarHBondContact OE1-NE 3.45Å; E413-R417 IonicContact OE1-NH2 3.72Å; E413-R417 PolarHBondContact OE1-NH2 2.91Å; E413-R417 IonicContact OE2-CZ 2.69Å; E413-R417 VanDerWaalsContact OE2-CZ 3.32Å; E413-R417 IonicContact OE2-NE 2.83Å; E413-R417 PolarHBondContact OE2-NE 3.23Å; E413-R417 IonicContact OE2-NH2 3.21Å; E413-R417 PolarHBondContact OE2-NH2 2.85Å; V415-R417 PolarHBondContact O-N 2.77Å; R417-R421 VanDerWaalsContact O-CG 3.32Å; R417-R421 WeakPolarHBondContact O-CG 3.42Å; R417-R421 PolarHBondContact O-N 3.3Å
418	R	52.5	Low	48.2	Very low	174 Å²	174	111.3 Å²	111.3	66%	0.657	53%	0.529	S	S	*	.	H	α-helix	trans	-70.8	-45.3	177.6	-161.1	173.3	-170.4	162.9	0.3	111.5	T414 V415 G416 R421 Q422	T414-R418 WeakPolarHBondContact O-CB 3.27Å; T414-R418 PolarHBondContact O-N 3.33Å; T414-R418 VanDerWaalsContact O-N 3.13Å; V415-R418 WeakPolarHBondContact O-CB 3.47Å; V415-R418 PolarHBondContact O-N 3.34Å; G416-R418 VanDerWaalsContact C-N 3.33Å; G416-R418 PolarHBondContact O-N 3.12Å; R418-R421 WeakPolarHBondContact O-CB 3.47Å; R418-R421 PolarHBondContact O-N 3.19Å; R418-Q422 PolarHBondContact O-N 3Å
419	L	47	Very low	48.6	Very low	97 Å²	97	103.2 Å²	103.2	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-45.1	176	-172.8	65.7	0	0	0	112	V415 R421 Q422 L423	V415-L419 PolarHBondContact O-N 3.13Å; L419-R421 VanDerWaalsContact C-N 3.31Å; L419-R421 PolarHBondContact O-N 2.78Å; L419-Q422 WeakPolarHBondContact O-CB 3.42Å; L419-Q422 PolarHBondContact O-N 2.9Å; L419-L423 HydrophobicContact CG-CD1 4.35Å; L419-L423 PolarHBondContact O-N 2.73Å
420	R	52.8	Low	49.1	Very low	152 Å²	152	101.1 Å²	101.1	57%	0.574	48%	0.479	S	S	*	.	H	α-helix	trans	-61.3	-35.3	175.2	-76	-174.8	-78.4	-123.9	4.9	113.2	G416 Q422 R424	G416-R420 WeakPolarHBondContact O-CB 3.43Å; G416-R420 WeakPolarHBondContact O-CG 3.35Å; G416-R420 PolarHBondContact O-N 2.97Å; G416-R420 PolarHBondContact O-NE 2.83Å; R420-Q422 VanDerWaalsContact C-N 3.35Å; R420-R424 PolarHBondContact O-N 3.22Å
421	R	53.1	Low	49.6	Very low	138 Å²	138	102.3 Å²	102.3	52%	0.521	48%	0.475	S	S	.	.	H	α-helix	trans	-69.5	-32	172.8	-75.5	170.7	173.2	-176.1	-3.8	112.5	R417 R418 L419 R425	R417-R421 VanDerWaalsContact O-CG 3.32Å; R417-R421 WeakPolarHBondContact O-CG 3.42Å; R417-R421 PolarHBondContact O-N 3.3Å; R418-R421 WeakPolarHBondContact O-CB 3.47Å; R418-R421 PolarHBondContact O-N 3.19Å; L419-R421 VanDerWaalsContact C-N 3.31Å; L419-R421 PolarHBondContact O-N 2.78Å; R421-R425 WeakPolarHBondContact O-CG 3.39Å; R421-R425 PolarHBondContact O-N 2.86Å
422	Q	50.2	Low	50.3	Low	40 Å²	40	96.2 Å²	96.2	19%	0.187	45%	0.448	C	S	.	.	H	α-helix	trans	-76.1	-43.6	179.8	-171	179.1	-25.4	0	0	112.1	R418 L419 R420 R424 R425 T426 Y667	R418-Q422 PolarHBondContact O-N 3Å; L419-Q422 WeakPolarHBondContact O-CB 3.42Å; L419-Q422 PolarHBondContact O-N 2.9Å; R420-Q422 VanDerWaalsContact C-N 3.35Å; Q422-R424 VanDerWaalsContact C-N 3.32Å; Q422-R424 PolarHBondContact O-N 2.98Å; Q422-R425 WeakPolarHBondContact O-CA 3.3Å; Q422-R425 WeakPolarHBondContact O-CB 3.18Å; Q422-R425 PolarHBondContact O-N 3.45Å; Q422-T426 PolarHBondContact O-N 3.45Å; Q422-T426 PolarHBondContact O-OG1 2.98Å; Q422-Y667 PolarHBondContact NE2-OH 3.47Å
423	L	52.4	Low	50.5	Low	103 Å²	103	93.3 Å²	93.3	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-55.8	-44.1	171	-88.4	154.7	0	0	0	112.2	L419 R425 T426 Q427	L419-L423 HydrophobicContact CG-CD1 4.35Å; L419-L423 PolarHBondContact O-N 2.73Å; L423-R425 PolarHBondContact O-N 3.09Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 PolarHBondContact O-OG1 2.69Å; L423-Q427 WeakPolarHBondContact O-CB 3.21Å; L423-Q427 PolarHBondContact O-N 2.75Å
424	R	55.1	Low	51.2	Low	195 Å²	195	90.8 Å²	90.8	74%	0.736	42%	0.42	S	S	*	.	H	α-helix	trans	-65.5	-23.3	174.2	-73.9	-173.9	176.6	-153.9	-1.2	113.8	R420 Q422 K428	R420-R424 PolarHBondContact O-N 3.22Å; Q422-R424 VanDerWaalsContact C-N 3.32Å; Q422-R424 PolarHBondContact O-N 2.98Å; R424-K428 WeakPolarHBondContact O-CB 3.44Å; R424-K428 PolarHBondContact O-N 3.45Å
425	R	51.7	Low	51.2	Low	115 Å²	115	89.5 Å²	89.5	43%	0.434	42%	0.418	S	S	.	.	H	α-helix	trans	-77.7	-46.1	173.6	-74.5	168.7	174.2	-154.6	-9.2	111.3	R421 Q422 L423 K428 T429	R421-R425 WeakPolarHBondContact O-CG 3.39Å; R421-R425 PolarHBondContact O-N 2.86Å; Q422-R425 WeakPolarHBondContact O-CA 3.3Å; Q422-R425 WeakPolarHBondContact O-CB 3.18Å; Q422-R425 PolarHBondContact O-N 3.45Å; L423-R425 PolarHBondContact O-N 3.09Å; R425-K428 PolarHBondContact O-N 2.85Å; R425-T429 PolarHBondContact O-N 3Å; R425-T429 PolarHBondContact O-OG1 2.95Å
426	T	49.9	Very low	51.2	Low	54 Å²	54	86.1 Å²	86.1	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-44.5	177.8	50.3	0	0	0	0	111.3	Q422 L423 K428 T429 Q430	Q422-T426 PolarHBondContact O-N 3.45Å; Q422-T426 PolarHBondContact O-OG1 2.98Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 PolarHBondContact O-OG1 2.69Å; T426-K428 PolarHBondContact O-N 3.36Å; T426-T429 PolarHBondContact O-N 3.45Å; T426-Q430 WeakPolarHBondContact O-CG 3.41Å; T426-Q430 PolarHBondContact O-N 3.37Å
427	Q	54.2	Low	51.2	Low	109 Å²	109	87.8 Å²	87.8	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-58.5	-47.4	174	-172.7	175.8	13.5	0	0	111.7	L423 T429 Q430 E431	L423-Q427 WeakPolarHBondContact O-CB 3.21Å; L423-Q427 PolarHBondContact O-N 2.75Å; Q427-T429 VanDerWaalsContact C-N 3.34Å; Q427-T429 PolarHBondContact O-N 3.07Å; Q427-Q430 WeakPolarHBondContact O-CB 3.34Å; Q427-Q430 PolarHBondContact O-N 3.21Å; Q427-E431 WeakPolarHBondContact O-CG 3.15Å; Q427-E431 PolarHBondContact O-N 2.69Å
428	K	55.4	Low	51.2	Low	89 Å²	89	83.1 Å²	83.1	39%	0.387	39%	0.393	S	S	.	.	H	α-helix	trans	-68.4	-29.1	178.6	-170.3	164.5	-174.5	169.4	0	113.7	R424 R425 T426 I432	R424-K428 WeakPolarHBondContact O-CB 3.44Å; R424-K428 PolarHBondContact O-N 3.45Å; R425-K428 PolarHBondContact O-N 2.85Å; T426-K428 PolarHBondContact O-N 3.36Å; K428-I432 HydrophobicContact CG-CD1 4.12Å; K428-I432 WeakPolarHBondContact O-CB 3.47Å; K428-I432 WeakPolarHBondContact O-CD1 3.36Å; K428-I432 WeakPolarHBondContact O-CG1 3.49Å; K428-I432 PolarHBondContact O-N 2.96Å
429	T	49.1	Very low	51.3	Low	21 Å²	21	77.2 Å²	77.2	13%	0.129	38%	0.378	C	S	.	.	H	α-helix	trans	-67.3	-43.9	169.9	-64.8	0	0	0	0	110.9	R425 T426 Q427 E431 I432 N433 T752	R425-T429 PolarHBondContact O-N 3Å; R425-T429 PolarHBondContact O-OG1 2.95Å; T426-T429 PolarHBondContact O-N 3.45Å; Q427-T429 VanDerWaalsContact C-N 3.34Å; Q427-T429 PolarHBondContact O-N 3.07Å; T429-E431 PolarHBondContact O-N 2.94Å; T429-I432 PolarHBondContact O-N 3.42Å; T429-N433 WeakPolarHBondContact O-CB 3.49Å; T429-N433 PolarHBondContact O-N 2.99Å; T429-N433 PolarHBondContact O-OD1 2.85Å; T429-T752 HydrophobicContact CG2-CG2 3.81Å
430	Q	50.1	Low	51.3	Low	83 Å²	83	73.4 Å²	73.4	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-60.3	-44.2	174.4	-71.5	168.2	-32.9	0	0	111.5	T426 Q427 N433 A434 T582	T426-Q430 WeakPolarHBondContact O-CG 3.41Å; T426-Q430 PolarHBondContact O-N 3.37Å; Q427-Q430 WeakPolarHBondContact O-CB 3.34Å; Q427-Q430 PolarHBondContact O-N 3.21Å; Q430-N433 PolarHBondContact O-N 3.38Å; Q430-A434 VanDerWaalsContact O-CB 3.27Å; Q430-A434 WeakPolarHBondContact O-CB 3.39Å; Q430-A434 PolarHBondContact O-N 3.02Å; Q430-T582 HydrophobicContact CB-CG2 3.83Å; Q430-T582 HydrophobicContact CG-CG2 4.26Å
431	E	53.7	Low	51.1	Low	106 Å²	106	68.7 Å²	68.7	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-47	172.8	-71.5	166	-170.4	0	0	112.4	Q427 T429 A435	Q427-E431 WeakPolarHBondContact O-CG 3.15Å; Q427-E431 PolarHBondContact O-N 2.69Å; T429-E431 PolarHBondContact O-N 2.94Å; E431-A435 WeakPolarHBondContact O-CB 3.34Å; E431-A435 PolarHBondContact O-N 3.06Å
432	I	52.1	Low	51.5	Low	33 Å²	33	69.1 Å²	69.1	17%	0.169	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-41.8	179.7	-73.6	166.5	0	0	0	111.2	K428 T429 A435 T436	K428-I432 HydrophobicContact CG-CD1 4.12Å; K428-I432 WeakPolarHBondContact O-CB 3.47Å; K428-I432 WeakPolarHBondContact O-CD1 3.36Å; K428-I432 WeakPolarHBondContact O-CG1 3.49Å; K428-I432 PolarHBondContact O-N 2.96Å; T429-I432 PolarHBondContact O-N 3.42Å; I432-A435 PolarHBondContact O-N 3.09Å; I432-T436 WeakPolarHBondContact O-CB 3.39Å; I432-T436 PolarHBondContact O-N 3.06Å; I432-T436 PolarHBondContact O-OG1 2.73Å
433	N	45.2	Very low	51.5	Low	31 Å²	31	70.4 Å²	70.4	17%	0.166	35%	0.353	C	S	.	.	H	α-helix	trans	-71.8	-41.5	-178.9	-70	16.8	0	0	0	110.5	T429 Q430 A435 T436 V437 T752	T429-N433 WeakPolarHBondContact O-CB 3.49Å; T429-N433 PolarHBondContact O-N 2.99Å; T429-N433 PolarHBondContact O-OD1 2.85Å; Q430-N433 PolarHBondContact O-N 3.38Å; N433-A435 PolarHBondContact O-N 3.16Å; N433-T436 PolarHBondContact O-N 3.49Å; N433-V437 WeakPolarHBondContact O-CG2 3.17Å; N433-V437 PolarHBondContact O-N 3.36Å; N433-T752 PolarHBondContact ND2-OG1 3.2Å
434	A	53.4	Low	51.3	Low	33 Å²	33	69 Å²	69	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-41	171.2	0	0	0	0	0	112.7	Q430 T436 A438 T582	Q430-A434 VanDerWaalsContact O-CB 3.27Å; Q430-A434 WeakPolarHBondContact O-CB 3.39Å; Q430-A434 PolarHBondContact O-N 3.02Å; A434-T436 VanDerWaalsContact C-N 3.34Å; A434-A438 VanDerWaalsContact O-CB 3.27Å; A434-A438 WeakPolarHBondContact O-CB 3.49Å; A434-A438 PolarHBondContact O-N 3.28Å; A434-T582 HydrophobicContact CB-CG2 4.3Å
435	A	51.8	Low	51.2	Low	54 Å²	54	62.9 Å²	62.9	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-32.4	175.7	0	0	0	0	0	112.8	E431 I432 N433 C439	E431-A435 WeakPolarHBondContact O-CB 3.34Å; E431-A435 PolarHBondContact O-N 3.06Å; I432-A435 PolarHBondContact O-N 3.09Å; N433-A435 PolarHBondContact O-N 3.16Å; A435-C439 WeakPolarHBondContact O-CB 3.37Å; A435-C439 PolarHBondContact O-N 3.08Å
436	T	45.2	Very low	51.2	Low	29 Å²	29	64.6 Å²	64.6	18%	0.178	35%	0.352	C	S	.	.	H	α-helix	trans	-69	-49.9	176.3	-58.7	0	0	0	0	110.5	I432 N433 A434 A438 C439 A440 I749	I432-T436 WeakPolarHBondContact O-CB 3.39Å; I432-T436 PolarHBondContact O-N 3.06Å; I432-T436 PolarHBondContact O-OG1 2.73Å; N433-T436 PolarHBondContact O-N 3.49Å; A434-T436 VanDerWaalsContact C-N 3.34Å; T436-A438 VanDerWaalsContact C-N 3.35Å; T436-A438 PolarHBondContact O-N 3.44Å; T436-C439 WeakPolarHBondContact O-CA 3.49Å; T436-C439 WeakPolarHBondContact O-CB 3.35Å; T436-C439 PolarHBondContact O-N 2.88Å; T436-A440 PolarHBondContact O-N 2.8Å; T436-I749 HydrophobicContact CG2-CB 4.28Å; T436-I749 HydrophobicContact CG2-CG2 3.9Å; T436-I749 WeakPolarHBondContact CG2-O 3.46Å
437	V	47.3	Very low	51	Low	55 Å²	55	68.4 Å²	68.4	33%	0.333	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-47.3	173.1	171.3	0	0	0	0	111	N433 C439 A440 M441	N433-V437 WeakPolarHBondContact O-CG2 3.17Å; N433-V437 PolarHBondContact O-N 3.36Å; V437-C439 PolarHBondContact O-N 2.89Å; V437-A440 PolarHBondContact O-N 3.29Å; V437-M441 HydrophobicContact CG1-CE 3.66Å; V437-M441 HydrophobicContact CG1-SD 3.64Å; V437-M441 WeakPolarHBondContact O-CB 3.38Å; V437-M441 WeakPolarHBondContact O-CG 3.2Å; V437-M441 PolarHBondContact O-N 3.07Å
438	A	53.2	Low	50.6	Low	35 Å²	35	69.2 Å²	69.2	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-18.9	176	0	0	0	0	0	113.9	A434 T436 R442	A434-A438 VanDerWaalsContact O-CB 3.27Å; A434-A438 WeakPolarHBondContact O-CB 3.49Å; A434-A438 PolarHBondContact O-N 3.28Å; T436-A438 VanDerWaalsContact C-N 3.35Å; T436-A438 PolarHBondContact O-N 3.44Å; A438-R442 WeakPolarHBondContact O-CG 3.42Å; A438-R442 PolarHBondContact O-N 2.9Å; A438-R442 PolarHBondContact O-NE 2.83Å; A438-R442 PolarHBondContact O-NH1 3.16Å; A438-R442 PolarHBondContact O-NH2 2.96Å
439	C	54.3	Low	49.9	Very low	50 Å²	50	67.4 Å²	67.4	34%	0.338	38%	0.382	S	S	.	.	H	α-helix	trans	-81.5	-47.7	174.9	-162.2	0	0	0	0	111.2	A435 T436 V437 M441 R442 Q443	A435-C439 WeakPolarHBondContact O-CB 3.37Å; A435-C439 PolarHBondContact O-N 3.08Å; T436-C439 WeakPolarHBondContact O-CA 3.49Å; T436-C439 WeakPolarHBondContact O-CB 3.35Å; T436-C439 PolarHBondContact O-N 2.88Å; V437-C439 PolarHBondContact O-N 2.89Å; C439-M441 VanDerWaalsContact C-N 3.31Å; C439-M441 PolarHBondContact O-N 3.38Å; C439-R442 PolarHBondContact O-N 3.37Å; C439-R442 VanDerWaalsContact O-N 3.15Å; C439-Q443 PolarHBondContact O-N 3.47Å; C439-Q443 VanDerWaalsContact O-N 3.09Å
440	A	47.2	Very low	49.5	Very low	16 Å²	16	71.1 Å²	71.1	13%	0.132	41%	0.408	C	S	.	.	H	α-helix	trans	-56.4	-44.6	172.5	0	0	0	0	0	111.7	T436 V437 R442 Q443 N444 S747	T436-A440 PolarHBondContact O-N 2.8Å; V437-A440 PolarHBondContact O-N 3.29Å; A440-R442 VanDerWaalsContact C-N 3.34Å; A440-R442 PolarHBondContact O-N 2.94Å; A440-Q443 WeakPolarHBondContact O-CB 3.3Å; A440-Q443 PolarHBondContact O-N 3.34Å; A440-N444 PolarHBondContact O-N 2.88Å; A440-S747 WeakPolarHBondContact CB-OG 3.39Å
441	M	48.2	Very low	48.6	Very low	54 Å²	54	75 Å²	75	27%	0.266	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-34.9	177	-73.1	167	170.6	0	0	113.6	V437 C439 Q443 N444 A445 K608	V437-M441 HydrophobicContact CG1-CE 3.66Å; V437-M441 HydrophobicContact CG1-SD 3.64Å; V437-M441 WeakPolarHBondContact O-CB 3.38Å; V437-M441 WeakPolarHBondContact O-CG 3.2Å; V437-M441 PolarHBondContact O-N 3.07Å; C439-M441 VanDerWaalsContact C-N 3.31Å; C439-M441 PolarHBondContact O-N 3.38Å; M441-Q443 VanDerWaalsContact C-N 3.33Å; M441-N444 PolarHBondContact O-N 2.78Å; M441-A445 WeakPolarHBondContact O-CB 3.42Å; M441-A445 PolarHBondContact O-N 2.98Å; M441-K608 HydrophobicContact CE-CB 3.7Å; M441-K608 WeakPolarHBondContact CE-O 3.37Å; M441-K608 HydrophobicContact SD-CB 3.71Å
442	R	61.7	Low	47.6	Very low	146 Å²	146	75 Å²	75	55%	0.551	44%	0.436	S	S	*	.	H	α-helix	trans	-67.3	-33.2	171.7	-80.3	-175.5	-65.7	-95.6	-3	112.4	A438 C439 A440 M446	A438-R442 WeakPolarHBondContact O-CG 3.42Å; A438-R442 PolarHBondContact O-N 2.9Å; A438-R442 PolarHBondContact O-NE 2.83Å; A438-R442 PolarHBondContact O-NH1 3.16Å; A438-R442 PolarHBondContact O-NH2 2.96Å; C439-R442 PolarHBondContact O-N 3.37Å; C439-R442 VanDerWaalsContact O-N 3.15Å; A440-R442 VanDerWaalsContact C-N 3.34Å; A440-R442 PolarHBondContact O-N 2.94Å; R442-M446 WeakPolarHBondContact O-CB 3.12Å; R442-M446 VanDerWaalsContact O-CG 3.29Å; R442-M446 WeakPolarHBondContact O-CG 3.16Å; R442-M446 PolarHBondContact O-N 3.3Å; R442-M446 VanDerWaalsContact O-N 3.15Å
443	Q	50.3	Low	46.6	Very low	67 Å²	67	83.7 Å²	83.7	31%	0.313	47%	0.468	S	S	.	.	H	α-helix	trans	-68.6	-43.6	174.5	-66.7	179.6	-54.8	0	0	111.1	C439 A440 M441 M446 M447 T748	C439-Q443 PolarHBondContact O-N 3.47Å; C439-Q443 VanDerWaalsContact O-N 3.09Å; A440-Q443 WeakPolarHBondContact O-CB 3.3Å; A440-Q443 PolarHBondContact O-N 3.34Å; M441-Q443 VanDerWaalsContact C-N 3.33Å; Q443-M446 PolarHBondContact O-N 2.97Å; Q443-M447 PolarHBondContact O-N 3.46Å; Q443-T748 PolarHBondContact NE2-OG1 3.25Å; Q443-T748 PolarHBondContact OE1-OG1 3.43Å
444	N	48.9	Very low	45.9	Very low	74 Å²	74	91.2 Å²	91.2	40%	0.396	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-48.9	174.6	-68.8	-6.9	0	0	0	111.9	A440 M441 M446 M447 D448	A440-N444 PolarHBondContact O-N 2.88Å; M441-N444 PolarHBondContact O-N 2.78Å; N444-M446 VanDerWaalsContact C-N 3.25Å; N444-M446 PolarHBondContact O-N 2.67Å; N444-M447 WeakPolarHBondContact O-CB 3.41Å; N444-M447 PolarHBondContact O-N 3.38Å; N444-D448 PolarHBondContact O-N 2.75Å; N444-D448 VanDerWaalsContact O-N 3.15Å
445	A	52	Low	44.8	Very low	67 Å²	67	99 Å²	99	55%	0.554	53%	0.53	S	S	*	.	H	α-helix	trans	-62.2	-30.3	178.8	0	0	0	0	0	113.5	M441 G449	M441-A445 WeakPolarHBondContact O-CB 3.42Å; M441-A445 PolarHBondContact O-N 2.98Å; A445-G449 PolarHBondContact O-N 3.36Å
446	M	51.8	Low	43.8	Very low	151 Å²	151	103.5 Å²	103.5	74%	0.744	55%	0.546	S	S	*	.	H	α-helix	trans	-73.9	-24.7	173.2	-76.7	179.7	171.3	0	0	113.4	R442 Q443 N444	R442-M446 WeakPolarHBondContact O-CB 3.12Å; R442-M446 VanDerWaalsContact O-CG 3.29Å; R442-M446 WeakPolarHBondContact O-CG 3.16Å; R442-M446 PolarHBondContact O-N 3.3Å; R442-M446 VanDerWaalsContact O-N 3.15Å; Q443-M446 PolarHBondContact O-N 2.97Å; N444-M446 VanDerWaalsContact C-N 3.25Å; N444-M446 PolarHBondContact O-N 2.67Å
447	M	46.2	Very low	43.2	Very low	134 Å²	134	109.4 Å²	109.4	66%	0.66	58%	0.577	S	S	*	*	H	α-helix	trans	-76.8	-50.4	175.4	-73.9	-72.3	175.2	0	0	111.6	Q443 N444 G449 S450	Q443-M447 PolarHBondContact O-N 3.46Å; N444-M447 WeakPolarHBondContact O-CB 3.41Å; N444-M447 PolarHBondContact O-N 3.38Å; M447-G449 VanDerWaalsContact C-N 3.32Å; M447-G449 PolarHBondContact O-N 2.7Å; M447-S450 WeakPolarHBondContact O-CB 3.42Å; M447-S450 PolarHBondContact O-N 3.48Å
448	D	44.7	Very low	42.5	Very low	126 Å²	126	114.7 Å²	114.7	67%	0.674	60%	0.604	S	S	*	*	H	α-helix	trans	-62.9	-38.5	180	-76.7	-32.5	0	0	0	112.1	N444 S450 M451	N444-D448 PolarHBondContact O-N 2.75Å; N444-D448 VanDerWaalsContact O-N 3.15Å; D448-S450 PolarHBondContact O-N 2.84Å; D448-M451 PolarHBondContact O-N 3.3Å
449	G	42	Very low	41.6	Very low	51 Å²	51	121.8 Å²	121.8	53%	0.526	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-10	174.7	0	0	0	0	0	115.1	A445 M447	A445-G449 PolarHBondContact O-N 3.36Å; M447-G449 VanDerWaalsContact C-N 3.32Å; M447-G449 PolarHBondContact O-N 2.7Å
450	S	39.8	Very low	40.7	Very low	98 Å²	98	126 Å²	126	69%	0.685	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-5	178.8	-167	0	0	0	0	114.4	M447 D448	M447-S450 WeakPolarHBondContact O-CB 3.42Å; M447-S450 PolarHBondContact O-N 3.48Å; D448-S450 PolarHBondContact O-N 2.84Å
451	M	32.3	Very low	40.1	Very low	165 Å²	165	130.7 Å²	130.7	81%	0.813	68%	0.675	S	S	*	*	S	Bend	trans	-99.5	-7.5	179.3	-75.7	-149.6	-177.5	0	0	115.1	D448 Y453	D448-M451 PolarHBondContact O-N 3.3Å; M451-Y453 PolarHBondContact O-N 2.81Å
452	T	32.1	Very low	39.4	Very low	106 Å²	106	134.4 Å²	134.4	65%	0.65	70%	0.696	S	S	*	*			trans	-102	43.6	-169.2	59.2	0	0	0	0	114.8
453	Y	30.6	Very low	38.1	Very low	215 Å²	215	132.7 Å²	132.7	84%	0.843	70%	0.702	S	S	*	*	S	Bend	trans	-143.9	51.9	178	-95	-70.7	0	0	0	114.4	M451	M451-Y453 PolarHBondContact O-N 2.81Å
454	Q	31.3	Very low	37.5	Very low	190 Å²	190	135.9 Å²	135.9	89%	0.888	72%	0.721	S	S	*	*			trans	-166.3	76.5	164.7	-117.2	164.6	67.9	0	0	114.5
455	K	29.8	Very low	37	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.857	74%	0.736	S	S	*	*			trans	-172.1	149	158.4	-108.3	151.9	-171.5	171.2	0	111.1
456	N	30.6	Very low	36.3	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	75%	0.745	S	S	*	*			trans	63.3	113.9	-174.1	-47.5	-10.6	0	0	0	110.9
457	D	33.2	Very low	35.6	Very low	153 Å²	153	139 Å²	139	82%	0.818	74%	0.744	S	S	*	*				-147.9	147	56.3	-75.2	-38.6	0	0	0	113
458	N	33.1	Very low	35.3	Very low	167 Å²	167	137.2 Å²	137.2	89%	0.893	75%	0.751	S	S	*	*			trans	-175.3	105.8	152.8	-108	-56.4	0	0	0	110.6
459	H	34.2	Very low	34.9	Very low	183 Å²	183	135.8 Å²	135.8	85%	0.847	75%	0.751	S	S	*	*			trans	-154.3	151.6	165.4	-126.3	-36	0	0	0	110.7
460	I	35.1	Very low	34.8	Very low	139 Å²	139	139.2 Å²	139.2	71%	0.713	76%	0.757	S	S	*	*			trans	85.9	92	158.4	-64.6	169.6	0	0	0	117.2
461	T	34.2	Very low	34.7	Very low	114 Å²	114	140.9 Å²	140.9	70%	0.699	76%	0.758	S	S	*	*			trans	93.7	125.2	131.7	57.3	0	0	0	0	124.1
462	N	33.9	Very low	35.1	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	76%	0.756	S	S	*	*				94	101.5	125.6	-74.3	8.2	0	0	0	123.3
463	T	34.4	Very low	35.3	Very low	111 Å²	111	141 Å²	141	68%	0.681	76%	0.758	S	S	*	*				80.3	116.4	120.5	57.6	0	0	0	0	122.1
464	N	38	Very low	35.6	Very low	134 Å²	134	137.6 Å²	137.6	72%	0.717	76%	0.755	S	S	*	*				112.9	131.1	124.7	-72.9	-2.3	0	0	0	120.8
465	N	38	Very low	35.7	Very low	131 Å²	131	134.1 Å²	134.1	70%	0.701	75%	0.747	S	S	*	*			trans	75.3	101.7	146.1	-64.1	1.5	0	0	0	118.3
466	T	36.8	Very low	36.1	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	74%	0.742	S	S	*	*				84.3	138.8	88.4	60.1	0	0	0	0	114.3
467	S	38.2	Very low	36.3	Very low	102 Å²	102	131.1 Å²	131.1	71%	0.713	74%	0.744	S	S	*	*			cis	-177.8	154	-7.8	47.9	0	0	0	0	111
468	A	38.5	Very low	36.4	Very low	97 Å²	97	127.4 Å²	127.4	80%	0.802	74%	0.742	S	S	*	*			trans	66.8	158.7	157.4	0	0	0	0	0	118.6
469	S	36.4	Very low	36.5	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	74%	0.744	S	S	*	*			cis	-167.5	176.3	-28.9	56.5	0	0	0	0	111.4
470	D	39.4	Very low	36.5	Very low	123 Å²	123	122 Å²	122	66%	0.658	73%	0.734	S	S	*	*			trans	77.8	109.7	155.2	-66.8	-66.9	0	0	0	123.4
471	N	38.9	Very low	36.5	Very low	133 Å²	133	122.9 Å²	122.9	71%	0.711	74%	0.739	S	S	*	*				43.9	138.5	111.4	-58.6	-52.4	0	0	0	119.5
472	N	40.2	Very low	36.6	Very low	145 Å²	145	123.8 Å²	123.8	78%	0.775	74%	0.739	S	S	*	*				-169.6	-177	52.1	-140.3	-37.5	0	0	0	114.9
473	N	36.4	Very low	36.6	Very low	128 Å²	128	123.6 Å²	123.6	68%	0.684	74%	0.738	S	S	*	*			trans	-87.5	169.4	-165.1	-60.9	-82.6	0	0	0	118.4
474	N	37.4	Very low	36.6	Very low	145 Å²	145	126.8 Å²	126.8	78%	0.775	75%	0.745	S	S	*	*			trans	122.1	106	134.3	-73.7	-27	0	0	0	121.7
475	T	34	Very low	36.1	Very low	117 Å²	117	130.2 Å²	130.2	72%	0.718	75%	0.75	S	S	*	*				60.1	125.9	116.2	-35.7	0	0	0	0	123.1
476	V	38.3	Very low	35.7	Very low	124 Å²	124	128 Å²	128	75%	0.752	75%	0.75	S	S	*	*				164.7	124.6	118.6	162	0	0	0	0	113.3
477	N	34.2	Very low	35.4	Very low	156 Å²	156	127.8 Å²	127.8	83%	0.834	75%	0.753	S	S	*	*			trans	17.2	138.6	153.1	-52.7	-11.1	0	0	0	124.5
478	G	35.7	Very low	35.1	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	76%	0.756	S	S	*	*			trans	-168.6	135.5	155.6	0	0	0	0	0	112
479	N	33.8	Very low	34.7	Very low	175 Å²	175	134.5 Å²	134.5	94%	0.936	76%	0.758	S	S	*	*			trans	-102.1	152.8	-167.1	-73.5	-22.3	0	0	0	115.4
480	G	35	Very low	34.6	Very low	63 Å²	63	137.5 Å²	137.5	65%	0.649	77%	0.765	S	S	*	*			trans	145	100.2	166.8	0	0	0	0	0	111.5
481	I	35.5	Very low	34.2	Very low	156 Å²	156	137.8 Å²	137.8	80%	0.8	77%	0.767	S	S	*	*				61.3	116.5	75.2	-56.6	172.7	0	0	0	110.1
482	D	36.5	Very low	34.1	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	77%	0.771	S	S	*	*			cis	-150.8	161.5	27.9	-142.6	-15.6	0	0	0	117
483	N	33.7	Very low	34	Very low	128 Å²	128	138 Å²	138	68%	0.684	77%	0.768	S	S	*	*			trans	22.8	111.2	149.1	-93.1	-64.7	0	0	0	122.5
484	Q	33.8	Very low	34.2	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	76%	0.756	S	S	*	*				165.9	107.5	105.4	-90.6	-178.6	37.9	0	0	112.4
485	Y	27.7	Very low	34.3	Very low	206 Å²	206	133.2 Å²	133.2	81%	0.808	75%	0.745	S	S	*	*			trans	-150.2	120.2	159.6	-106.3	-79.9	0	0	0	110.8	K488	Y485-K488 HydrophobicContact CE1-CD 4.42Å
486	A	29.6	Very low	34.5	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	73%	0.73	S	S	*	*			trans	-137.7	163.2	168.5	0	0	0	0	0	108.9
487	S	31.3	Very low	34.6	Very low	118 Å²	118	130.4 Å²	130.4	83%	0.825	73%	0.725	S	S	*	*			trans	52.7	71.6	-179.1	52	0	0	0	0	115.8
488	K	31.6	Very low	35.3	Very low	177 Å²	177	127 Å²	127	77%	0.77	71%	0.707	S	S	*	*			trans	-125.3	68.1	153	-94.7	-169.3	173.7	179.6	0	110.6	Y485	Y485-K488 HydrophobicContact CE1-CD 4.42Å
489	L	29.7	Very low	35.5	Very low	163 Å²	163	128.5 Å²	128.5	85%	0.853	69%	0.693	S	S	*	*			trans	-152.2	149	168.7	-95.1	149	0	0	0	105.6
490	I	33.2	Very low	35.8	Very low	160 Å²	160	124.7 Å²	124.7	82%	0.821	67%	0.673	S	S	*	*	S	Bend	trans	73.7	87.9	-165.4	-46.3	163.6	0	0	0	112.9
491	N	32.8	Very low	36.5	Very low	129 Å²	129	125.7 Å²	125.7	69%	0.69	67%	0.667	S	S	*	*			trans	161	93.9	145.1	-87.8	0.2	0	0	0	108.8
492	N	35.8	Very low	36.9	Very low	148 Å²	148	123.2 Å²	123.2	79%	0.791	65%	0.651	S	S	*	*	S	Bend	trans	-157.5	1.1	173.5	-97.2	-17.7	0	0	0	113.6
493	N	37.8	Very low	37.3	Very low	134 Å²	134	121.9 Å²	121.9	72%	0.717	64%	0.644	S	S	*	*	S	Bend	trans	-119.7	6.3	-172.5	-71.3	11.4	0	0	0	113.8
494	T	40.5	Very low	37.9	Very low	72 Å²	72	121 Å²	121	44%	0.442	64%	0.636	S	S	.	*	S	Bend	trans	-92.2	-49.1	177.8	40.6	0	0	0	0	111.4	S496 L497 I498	T494-S496 VanDerWaalsContact C-N 3.32Å; T494-S496 PolarHBondContact O-N 2.61Å; T494-L497 WeakPolarHBondContact O-CA 3.1Å; T494-L497 WeakPolarHBondContact O-CB 3.46Å; T494-L497 PolarHBondContact O-N 3.13Å; T494-I498 PolarHBondContact O-N 3.42Å; T494-I498 VanDerWaalsContact O-N 3.13Å
495	D	39.2	Very low	38.4	Very low	100 Å²	100	115.3 Å²	115.3	54%	0.535	62%	0.619	S	S	.	*	H	α-helix	trans	-70.3	-35.3	-167.7	-49.5	-3.3	0	0	0	110.4	L497 I498 Q499	D495-L497 VanDerWaalsContact C-N 3.26Å; D495-L497 PolarHBondContact O-N 2.91Å; D495-I498 PolarHBondContact O-N 3.26Å; D495-I498 VanDerWaalsContact O-N 3.15Å; D495-Q499 PolarHBondContact O-N 2.96Å
496	S	38.7	Very low	39.2	Very low	59 Å²	59	111.3 Å²	111.3	41%	0.413	61%	0.61	S	S	.	*	H	α-helix	trans	-67	-19.1	171.6	54.7	0	0	0	0	114.2	T494 N500	T494-S496 VanDerWaalsContact C-N 3.32Å; T494-S496 PolarHBondContact O-N 2.61Å; S496-N500 PolarHBondContact O-ND2 3.21Å
497	L	41.4	Very low	40.5	Very low	123 Å²	123	110.7 Å²	110.7	64%	0.644	60%	0.6	S	S	*	*	H	α-helix	trans	-82.7	-38.1	168.6	-110.8	71.1	0	0	0	111.5	T494 D495 N500 T501	T494-L497 WeakPolarHBondContact O-CA 3.1Å; T494-L497 WeakPolarHBondContact O-CB 3.46Å; T494-L497 PolarHBondContact O-N 3.13Å; D495-L497 VanDerWaalsContact C-N 3.26Å; D495-L497 PolarHBondContact O-N 2.91Å; L497-N500 PolarHBondContact O-N 2.71Å; L497-T501 PolarHBondContact O-N 3.02Å; L497-T501 VanDerWaalsContact O-N 3.14Å; L497-T501 PolarHBondContact O-OG1 3.26Å
498	I	47.3	Very low	41.5	Very low	86 Å²	86	110.2 Å²	110.2	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-65.7	-50.5	-179.1	-65	167.1	0	0	0	110.5	T494 D495 N500 T501 E502	T494-I498 PolarHBondContact O-N 3.42Å; T494-I498 VanDerWaalsContact O-N 3.13Å; D495-I498 PolarHBondContact O-N 3.26Å; D495-I498 VanDerWaalsContact O-N 3.15Å; I498-N500 VanDerWaalsContact C-N 3.32Å; I498-N500 PolarHBondContact O-N 3.28Å; I498-T501 PolarHBondContact O-N 2.98Å; I498-T501 PolarHBondContact O-OG1 3.34Å; I498-E502 HydrophobicContact CG2-CG 4.49Å; I498-E502 PolarHBondContact O-N 3.03Å
499	Q	41	Very low	42.3	Very low	106 Å²	106	104 Å²	104	50%	0.495	56%	0.555	S	S	.	*	H	α-helix	trans	-53.3	-48.1	174.6	-116.8	79.6	78.9	0	0	111.8	D495 T501 E502 D503	D495-Q499 PolarHBondContact O-N 2.96Å; Q499-T501 PolarHBondContact O-N 3.36Å; Q499-E502 PolarHBondContact NE2-OE2 3.42Å; Q499-E502 PolarHBondContact O-N 2.92Å; Q499-E502 VanDerWaalsContact O-N 3.16Å; Q499-D503 PolarHBondContact O-N 3.27Å
500	N	40.3	Very low	43.6	Very low	95 Å²	95	98.8 Å²	98.8	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-23.7	179.4	-89.7	-70.9	0	0	0	113.7	S496 L497 I498 Q504	S496-N500 PolarHBondContact O-ND2 3.21Å; L497-N500 PolarHBondContact O-N 2.71Å; I498-N500 VanDerWaalsContact C-N 3.32Å; I498-N500 PolarHBondContact O-N 3.28Å; N500-Q504 WeakPolarHBondContact O-CB 3.44Å; N500-Q504 VanDerWaalsContact O-CG 3.23Å; N500-Q504 WeakPolarHBondContact O-CG 3.15Å; N500-Q504 PolarHBondContact O-NE2 2.96Å
501	T	48.3	Very low	45	Very low	84 Å²	84	94.7 Å²	94.7	52%	0.515	52%	0.518	S	S	.	.	H	α-helix	trans	-84.4	-35.4	172.7	46.9	0	0	0	0	113.3	L497 I498 Q499 Q504 A505	L497-T501 PolarHBondContact O-N 3.02Å; L497-T501 VanDerWaalsContact O-N 3.14Å; L497-T501 PolarHBondContact O-OG1 3.26Å; I498-T501 PolarHBondContact O-N 2.98Å; I498-T501 PolarHBondContact O-OG1 3.34Å; Q499-T501 PolarHBondContact O-N 3.36Å; T501-Q504 PolarHBondContact O-N 2.84Å; T501-A505 PolarHBondContact O-N 2.89Å
502	E	45.5	Very low	45.9	Very low	103 Å²	103	91.1 Å²	91.1	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-46.4	174.9	-68.5	175.3	151.9	0	0	111	I498 Q499 Q504 A505 M506	I498-E502 HydrophobicContact CG2-CG 4.49Å; I498-E502 PolarHBondContact O-N 3.03Å; Q499-E502 PolarHBondContact NE2-OE2 3.42Å; Q499-E502 PolarHBondContact O-N 2.92Å; Q499-E502 VanDerWaalsContact O-N 3.16Å; E502-Q504 VanDerWaalsContact C-N 3.3Å; E502-Q504 PolarHBondContact O-N 3.46Å; E502-A505 PolarHBondContact O-N 2.87Å; E502-A505 VanDerWaalsContact O-N 3.17Å; E502-M506 WeakPolarHBondContact O-CB 3.35Å; E502-M506 WeakPolarHBondContact O-CG 3.38Å; E502-M506 PolarHBondContact O-N 3.1Å
503	D	44.6	Very low	46.9	Very low	106 Å²	106	90.9 Å²	90.9	57%	0.567	50%	0.495	S	S	*	.	H	α-helix	trans	-60.2	-38.2	175.5	-75.8	-33	0	0	0	112.2	Q499 S507	Q499-D503 PolarHBondContact O-N 3.27Å; D503-S507 VanDerWaalsContact O-CB 3.27Å; D503-S507 WeakPolarHBondContact O-CB 3.31Å; D503-S507 PolarHBondContact O-N 3.11Å
504	Q	45.3	Very low	48	Very low	109 Å²	109	89.9 Å²	89.9	51%	0.509	49%	0.486	S	S	.	.	H	α-helix	trans	-71.3	-34.8	176.2	-77.1	-179.4	39.6	0	0	112.9	N500 T501 E502 R508	N500-Q504 WeakPolarHBondContact O-CB 3.44Å; N500-Q504 VanDerWaalsContact O-CG 3.23Å; N500-Q504 WeakPolarHBondContact O-CG 3.15Å; N500-Q504 PolarHBondContact O-NE2 2.96Å; T501-Q504 PolarHBondContact O-N 2.84Å; E502-Q504 VanDerWaalsContact C-N 3.3Å; E502-Q504 PolarHBondContact O-N 3.46Å; Q504-R508 WeakPolarHBondContact O-CD 3.31Å; Q504-R508 VanDerWaalsContact O-CG 3.23Å; Q504-R508 WeakPolarHBondContact O-CG 3.49Å; Q504-R508 PolarHBondContact O-N 2.88Å
505	A	45	Very low	49	Very low	58 Å²	58	95 Å²	95	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-66.8	-47.2	173.4	0	0	0	0	0	111.1	T501 E502 S507 R508 L509	T501-A505 PolarHBondContact O-N 2.89Å; E502-A505 PolarHBondContact O-N 2.87Å; E502-A505 VanDerWaalsContact O-N 3.17Å; A505-S507 VanDerWaalsContact C-N 3.34Å; A505-S507 PolarHBondContact O-N 2.85Å; A505-R508 PolarHBondContact O-N 3.02Å; A505-L509 PolarHBondContact O-N 3.07Å
506	M	45.1	Very low	49.6	Very low	122 Å²	122	91.8 Å²	91.8	60%	0.601	48%	0.484	S	S	*	.	H	α-helix	trans	-57.4	-44	174.3	-75.1	-74.7	-78.9	0	0	112.1	E502 L509 A510	E502-M506 WeakPolarHBondContact O-CB 3.35Å; E502-M506 WeakPolarHBondContact O-CG 3.38Å; E502-M506 PolarHBondContact O-N 3.1Å; M506-L509 PolarHBondContact O-N 3.02Å; M506-A510 PolarHBondContact O-N 2.79Å
507	S	56.7	Low	50.8	Low	73 Å²	73	95.3 Å²	95.3	51%	0.51	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-42.9	176.2	-174.8	0	0	0	0	112.5	D503 A505 A510 V511	D503-S507 VanDerWaalsContact O-CB 3.27Å; D503-S507 WeakPolarHBondContact O-CB 3.31Å; D503-S507 PolarHBondContact O-N 3.11Å; A505-S507 VanDerWaalsContact C-N 3.34Å; A505-S507 PolarHBondContact O-N 2.85Å; S507-A510 PolarHBondContact O-N 2.77Å; S507-V511 WeakPolarHBondContact O-CG2 3.27Å; S507-V511 PolarHBondContact O-N 3.07Å; S507-V511 VanDerWaalsContact O-N 3.08Å
508	R	50.8	Low	51.9	Low	108 Å²	108	96.9 Å²	96.9	41%	0.408	49%	0.49	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175.8	-72	165.6	-178.9	-128	-3.4	112	Q504 A505 A510 V511 A512 N908	Q504-R508 WeakPolarHBondContact O-CD 3.31Å; Q504-R508 VanDerWaalsContact O-CG 3.23Å; Q504-R508 WeakPolarHBondContact O-CG 3.49Å; Q504-R508 PolarHBondContact O-N 2.88Å; A505-R508 PolarHBondContact O-N 3.02Å; R508-A510 VanDerWaalsContact C-N 3.34Å; R508-A510 PolarHBondContact O-N 2.87Å; R508-V511 PolarHBondContact O-N 2.98Å; R508-A512 PolarHBondContact O-N 3.15Å; R508-N908 PolarHBondContact NH1-O 2.92Å; R508-N908 PolarHBondContact NH2-O 2.83Å
509	L	49.5	Very low	52.8	Low	45 Å²	45	98.6 Å²	98.6	24%	0.236	49%	0.494	C	S	.	.	H	α-helix	trans	-62.2	-40.6	177	-177.8	60.4	0	0	0	111.8	A505 M506 A512 R513	A505-L509 PolarHBondContact O-N 3.07Å; M506-L509 PolarHBondContact O-N 3.02Å; L509-A512 PolarHBondContact O-N 3.17Å; L509-R513 HydrophobicContact CD1-CG 4.43Å; L509-R513 WeakPolarHBondContact O-CB 3.35Å; L509-R513 WeakPolarHBondContact O-CG 3.5Å; L509-R513 PolarHBondContact O-N 3.48Å
510	A	57.8	Low	53.7	Low	55 Å²	55	95.1 Å²	95.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-44.9	172.7	0	0	0	0	0	111.8	M506 S507 R508 A512 R513 Q514	M506-A510 PolarHBondContact O-N 2.79Å; S507-A510 PolarHBondContact O-N 2.77Å; R508-A510 VanDerWaalsContact C-N 3.34Å; R508-A510 PolarHBondContact O-N 2.87Å; A510-A512 PolarHBondContact O-N 3.35Å; A510-R513 PolarHBondContact O-N 2.69Å; A510-Q514 WeakPolarHBondContact O-CB 3.35Å; A510-Q514 PolarHBondContact O-N 2.78Å
511	V	61.6	Low	54.9	Low	74 Å²	74	95.5 Å²	95.5	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-64.3	-38.8	176.1	171.8	0	0	0	0	112.2	S507 R508 Q514 R515	S507-V511 WeakPolarHBondContact O-CG2 3.27Å; S507-V511 PolarHBondContact O-N 3.07Å; S507-V511 VanDerWaalsContact O-N 3.08Å; R508-V511 PolarHBondContact O-N 2.98Å; V511-Q514 PolarHBondContact O-N 3Å; V511-R515 WeakPolarHBondContact O-CG 3.4Å; V511-R515 PolarHBondContact O-N 3.06Å
512	A	51.3	Low	55.8	Low	54 Å²	54	96.9 Å²	96.9	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-48.1	175.4	0	0	0	0	0	111.6	R508 L509 A510 Q514 R515 A516	R508-A512 PolarHBondContact O-N 3.15Å; L509-A512 PolarHBondContact O-N 3.17Å; A510-A512 PolarHBondContact O-N 3.35Å; A512-Q514 VanDerWaalsContact C-N 3.32Å; A512-Q514 PolarHBondContact O-N 3.29Å; A512-R515 WeakPolarHBondContact O-CB 3.29Å; A512-R515 PolarHBondContact O-N 3.25Å; A512-R515 VanDerWaalsContact O-N 3.15Å; A512-A516 PolarHBondContact O-N 2.84Å
513	R	56.7	Low	56.4	Low	143 Å²	143	96 Å²	96	54%	0.54	47%	0.473	S	S	.	.	H	α-helix	trans	-61.5	-38.1	174.9	-70.6	176.3	178.7	179.9	0.5	112	L509 A510 A516 K517 D744	L509-R513 HydrophobicContact CD1-CG 4.43Å; L509-R513 WeakPolarHBondContact O-CB 3.35Å; L509-R513 WeakPolarHBondContact O-CG 3.5Å; L509-R513 PolarHBondContact O-N 3.48Å; A510-R513 PolarHBondContact O-N 2.69Å; R513-A516 PolarHBondContact O-N 3.21Å; R513-K517 WeakPolarHBondContact O-CB 3.47Å; R513-K517 PolarHBondContact O-N 2.94Å; R513-D744 IonicContact NH2-OD1 2.74Å; R513-D744 PolarHBondContact NH2-OD1 2.98Å
514	Q	60.9	Low	57.1	Low	113 Å²	113	95 Å²	95	53%	0.528	46%	0.464	S	S	.	.	H	α-helix	trans	-65	-38.3	174.2	-161	90.7	44.7	0	0	112.3	A510 V511 A512 R518	A510-Q514 WeakPolarHBondContact O-CB 3.35Å; A510-Q514 PolarHBondContact O-N 2.78Å; V511-Q514 PolarHBondContact O-N 3Å; A512-Q514 VanDerWaalsContact C-N 3.32Å; A512-Q514 PolarHBondContact O-N 3.29Å; Q514-R518 WeakPolarHBondContact O-CB 3.46Å; Q514-R518 WeakPolarHBondContact O-CG 3.15Å; Q514-R518 PolarHBondContact O-N 2.96Å
515	R	62.8	Low	57.8	Low	179 Å²	179	94 Å²	94	68%	0.675	46%	0.462	S	S	*	.	H	α-helix	trans	-67.7	-47.6	174.6	-78	176.4	175	177.9	-1.6	111.8	V511 A512 K517 R518 F519	V511-R515 WeakPolarHBondContact O-CG 3.4Å; V511-R515 PolarHBondContact O-N 3.06Å; A512-R515 WeakPolarHBondContact O-CB 3.29Å; A512-R515 PolarHBondContact O-N 3.25Å; A512-R515 VanDerWaalsContact O-N 3.15Å; R515-K517 PolarHBondContact O-N 3.3Å; R515-R518 PolarHBondContact O-N 2.93Å; R515-F519 WeakPolarHBondContact O-CB 3.02Å; R515-F519 PolarHBondContact O-N 2.76Å
516	A	50.9	Low	58.5	Low	33 Å²	33	94.5 Å²	94.5	27%	0.273	46%	0.462	S	S	.	.	H	α-helix	trans	-58.1	-48.4	176.2	0	0	0	0	0	110.8	A512 R513 R518 F519 I520	A512-A516 PolarHBondContact O-N 2.84Å; R513-A516 PolarHBondContact O-N 3.21Å; A516-R518 PolarHBondContact O-N 3.15Å; A516-F519 PolarHBondContact O-N 2.95Å; A516-F519 VanDerWaalsContact O-N 3.15Å; A516-I520 WeakPolarHBondContact O-CB 3.24Å; A516-I520 WeakPolarHBondContact O-CD1 3.38Å; A516-I520 VanDerWaalsContact O-CG1 3.29Å; A516-I520 WeakPolarHBondContact O-CG1 3.19Å; A516-I520 PolarHBondContact O-N 2.92Å
517	K	63.2	Low	58.9	Low	133 Å²	133	90.9 Å²	90.9	58%	0.578	45%	0.446	S	S	*	.	H	α-helix	trans	-56.3	-47.5	175.3	-175.5	170	-179.6	173.8	0	112	R513 R515 F519 I520 E521	R513-K517 WeakPolarHBondContact O-CB 3.47Å; R513-K517 PolarHBondContact O-N 2.94Å; R515-K517 PolarHBondContact O-N 3.3Å; K517-F519 PolarHBondContact O-N 3.38Å; K517-I520 PolarHBondContact O-N 2.86Å; K517-E521 WeakPolarHBondContact O-CB 3.44Å; K517-E521 PolarHBondContact O-N 3.42Å
518	R	66.1	Low	58.7	Low	155 Å²	155	90.8 Å²	90.8	59%	0.585	44%	0.442	S	S	*	.	H	α-helix	trans	-63.5	-36.6	176.3	-78.9	178.6	174.7	174.3	-0.2	113.5	Q514 R515 A516 E521 L522	Q514-R518 WeakPolarHBondContact O-CB 3.46Å; Q514-R518 WeakPolarHBondContact O-CG 3.15Å; Q514-R518 PolarHBondContact O-N 2.96Å; R515-R518 PolarHBondContact O-N 2.93Å; A516-R518 PolarHBondContact O-N 3.15Å; R518-E521 PolarHBondContact O-N 3.14Å; R518-L522 VanDerWaalsContact O-CB 3.29Å; R518-L522 WeakPolarHBondContact O-CB 3.49Å; R518-L522 WeakPolarHBondContact O-CG 3.4Å; R518-L522 PolarHBondContact O-N 3.38Å
519	F	64.7	Low	59	Low	123 Å²	123	91.2 Å²	91.2	54%	0.539	45%	0.449	S	S	.	.	H	α-helix	trans	-69.4	-41.1	177.6	-174	-102.6	0	0	0	111.6	R515 A516 K517 R523	R515-F519 WeakPolarHBondContact O-CB 3.02Å; R515-F519 PolarHBondContact O-N 2.76Å; A516-F519 PolarHBondContact O-N 2.95Å; A516-F519 VanDerWaalsContact O-N 3.15Å; K517-F519 PolarHBondContact O-N 3.38Å; F519-R523 VanDerWaalsContact O-CB 3.25Å; F519-R523 WeakPolarHBondContact O-CB 3.47Å; F519-R523 PolarHBondContact O-N 3.28Å
520	I	60.9	Low	59.2	Low	32 Å²	32	91.4 Å²	91.4	16%	0.164	45%	0.454	C	S	.	.	H	α-helix	trans	-60.5	-45.7	171.3	-69.6	159.6	0	0	0	110.6	A516 K517 R523 K524 M614 W640	A516-I520 WeakPolarHBondContact O-CB 3.24Å; A516-I520 WeakPolarHBondContact O-CD1 3.38Å; A516-I520 VanDerWaalsContact O-CG1 3.29Å; A516-I520 WeakPolarHBondContact O-CG1 3.19Å; A516-I520 PolarHBondContact O-N 2.92Å; K517-I520 PolarHBondContact O-N 2.86Å; I520-R523 PolarHBondContact O-N 3.34Å; I520-K524 WeakPolarHBondContact O-CG 3.37Å; I520-K524 PolarHBondContact O-N 3.06Å; I520-M614 HydrophobicContact CB-CE 4.43Å; I520-M614 HydrophobicContact CD1-CE 3.61Å; I520-M614 HydrophobicContact CG1-CE 3.8Å; I520-M614 HydrophobicContact CG2-CE 3.72Å; I520-W640 HydrophobicContact CG2-CH2 4.11Å
521	E	66.6	Low	59	Low	104 Å²	104	92.2 Å²	92.2	49%	0.486	45%	0.451	S	S	.	.	H	α-helix	trans	-65.8	-45.6	-179.3	-169.6	164.9	-127.8	0	0	111.9	K517 R518 R523 K524 L525	K517-E521 WeakPolarHBondContact O-CB 3.44Å; K517-E521 PolarHBondContact O-N 3.42Å; R518-E521 PolarHBondContact O-N 3.14Å; E521-R523 PolarHBondContact O-N 3.49Å; E521-K524 PolarHBondContact O-N 2.99Å; E521-L525 WeakPolarHBondContact O-CG 3.17Å; E521-L525 PolarHBondContact O-N 3.44Å
522	L	66	Low	58.4	Low	113 Å²	113	93.3 Å²	93.3	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-63.5	-37.2	172.2	-73.9	167.3	0	0	0	112.6	R518 L525 S526	R518-L522 VanDerWaalsContact O-CB 3.29Å; R518-L522 WeakPolarHBondContact O-CB 3.49Å; R518-L522 WeakPolarHBondContact O-CG 3.4Å; R518-L522 PolarHBondContact O-N 3.38Å; L522-L525 PolarHBondContact O-N 2.99Å; L522-S526 WeakPolarHBondContact O-CB 3.43Å; L522-S526 PolarHBondContact O-N 3.46Å
523	R	58.5	Low	58.4	Low	83 Å²	83	96.9 Å²	96.9	31%	0.313	46%	0.461	S	S	.	.	H	α-helix	trans	-73.6	-34.3	177.9	-165.2	168.7	-177.7	154.1	-3	112	F519 I520 E521 V527 W640	F519-R523 VanDerWaalsContact O-CB 3.25Å; F519-R523 WeakPolarHBondContact O-CB 3.47Å; F519-R523 PolarHBondContact O-N 3.28Å; I520-R523 PolarHBondContact O-N 3.34Å; E521-R523 PolarHBondContact O-N 3.49Å; R523-V527 WeakPolarHBondContact O-CB 3.35Å; R523-V527 VanDerWaalsContact O-CG2 3.29Å; R523-V527 WeakPolarHBondContact O-CG2 3.47Å; R523-V527 PolarHBondContact O-N 3.15Å; R523-W640 HydrophobicContact CG-CZ2 4.49Å
524	K	58.4	Low	58	Low	85 Å²	85	94.8 Å²	94.8	37%	0.37	46%	0.461	S	S	.	.	H	α-helix	trans	-60.4	-48.4	168.3	-78.9	-168.6	168.8	-154.6	0	111.1	I520 E521 V527 T528 W640 D642	I520-K524 WeakPolarHBondContact O-CG 3.37Å; I520-K524 PolarHBondContact O-N 3.06Å; E521-K524 PolarHBondContact O-N 2.99Å; K524-V527 PolarHBondContact O-N 2.86Å; K524-T528 PolarHBondContact O-N 3.19Å; K524-T528 PolarHBondContact O-OG1 2.75Å; K524-W640 HydrophobicContact CG-CH2 4.49Å; K524-D642 IonicContact NZ-OD2 3.57Å; K524-D642 PolarHBondContact NZ-OD2 2.81Å
525	L	60.7	Low	57.4	Low	90 Å²	90	93.8 Å²	93.8	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-58	-52	175.8	-72.7	169.1	0	0	0	111.7	E521 L522 V527 T528 E529	E521-L525 WeakPolarHBondContact O-CG 3.17Å; E521-L525 PolarHBondContact O-N 3.44Å; L522-L525 PolarHBondContact O-N 2.99Å; L525-V527 VanDerWaalsContact C-N 3.3Å; L525-V527 PolarHBondContact O-N 2.85Å; L525-T528 WeakPolarHBondContact CA-OG1 3.45Å; L525-T528 CarbonylContact O-C 3.58Å; L525-T528 PolarHBondContact O-N 2.84Å; L525-T528 PolarHBondContact O-OG1 3.15Å; L525-E529 WeakPolarHBondContact O-CB 3.47Å; L525-E529 WeakPolarHBondContact O-CG 3.25Å; L525-E529 PolarHBondContact O-N 2.98Å
526	S	58.7	Low	56.7	Low	68 Å²	68	90.3 Å²	90.3	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-35.8	179	174.1	0	0	0	0	113.3	L522 S530	L522-S526 WeakPolarHBondContact O-CB 3.43Å; L522-S526 PolarHBondContact O-N 3.46Å; S526-S530 WeakPolarHBondContact O-CB 3.39Å; S526-S530 PolarHBondContact O-N 2.87Å; S526-S530 PolarHBondContact O-OG 2.94Å
527	V	55.3	Low	56.7	Low	46 Å²	46	94.6 Å²	94.6	28%	0.279	47%	0.47	S	S	.	.	H	α-helix	trans	-67.1	-46.1	172.7	169.6	0	0	0	0	110.5	R523 K524 L525 E529 S530 L531	R523-V527 WeakPolarHBondContact O-CB 3.35Å; R523-V527 VanDerWaalsContact O-CG2 3.29Å; R523-V527 WeakPolarHBondContact O-CG2 3.47Å; R523-V527 PolarHBondContact O-N 3.15Å; K524-V527 PolarHBondContact O-N 2.86Å; L525-V527 VanDerWaalsContact C-N 3.3Å; L525-V527 PolarHBondContact O-N 2.85Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.44Å; V527-S530 PolarHBondContact O-N 2.78Å; V527-S530 PolarHBondContact O-OG 2.81Å; V527-L531 HydrophobicContact CG1-CD1 4Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 3.46Å
528	T	52.7	Low	56	Low	70 Å²	70	95.1 Å²	95.1	43%	0.429	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-33.1	175.8	50.1	0	0	0	0	113.8	K524 L525 L531 N532	K524-T528 PolarHBondContact O-N 3.19Å; K524-T528 PolarHBondContact O-OG1 2.75Å; L525-T528 WeakPolarHBondContact CA-OG1 3.45Å; L525-T528 CarbonylContact O-C 3.58Å; L525-T528 PolarHBondContact O-N 2.84Å; L525-T528 PolarHBondContact O-OG1 3.15Å; T528-L531 PolarHBondContact O-N 2.73Å; T528-N532 WeakPolarHBondContact O-CB 3.29Å; T528-N532 PolarHBondContact O-N 2.96Å
529	E	56.2	Low	55	Low	118 Å²	118	94.3 Å²	94.3	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-66.6	-46.3	172.9	-72.6	169	158.2	0	0	110.3	L525 V527 L531 N532 E533	L525-E529 WeakPolarHBondContact O-CB 3.47Å; L525-E529 WeakPolarHBondContact O-CG 3.25Å; L525-E529 PolarHBondContact O-N 2.98Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.44Å; E529-L531 VanDerWaalsContact C-N 3.3Å; E529-L531 PolarHBondContact O-N 2.88Å; E529-N532 PolarHBondContact O-N 3.35Å; E529-N532 VanDerWaalsContact O-N 3.16Å; E529-E533 PolarHBondContact O-N 2.92Å
530	S	52.6	Low	54.1	Low	48 Å²	48	97.4 Å²	97.4	34%	0.336	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-31.8	175.9	74.2	0	0	0	0	113.3	S526 V527 N534	S526-S530 WeakPolarHBondContact O-CB 3.39Å; S526-S530 PolarHBondContact O-N 2.87Å; S526-S530 PolarHBondContact O-OG 2.94Å; V527-S530 PolarHBondContact O-N 2.78Å; V527-S530 PolarHBondContact O-OG 2.81Å; S530-N534 PolarHBondContact O-N 3.19Å; S530-N534 VanDerWaalsContact O-N 3.14Å; S530-N534 PolarHBondContact O-ND2 2.99Å
531	L	53.9	Low	53.3	Low	73 Å²	73	98.9 Å²	98.9	38%	0.382	50%	0.504	S	S	.	.	H	α-helix	trans	-67.1	-46.2	171.9	-74.4	165.2	0	0	0	110.5	V527 T528 E529 N534 L535 L569	V527-L531 HydrophobicContact CG1-CD1 4Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 3.46Å; T528-L531 PolarHBondContact O-N 2.73Å; E529-L531 VanDerWaalsContact C-N 3.3Å; E529-L531 PolarHBondContact O-N 2.88Å; L531-N534 PolarHBondContact O-N 2.87Å; L531-L535 WeakPolarHBondContact O-CB 3.4Å; L531-L535 PolarHBondContact O-N 3.26Å; L531-L569 HydrophobicContact CD1-CD2 4.41Å; L531-L569 HydrophobicContact CD2-CD2 4.35Å
532	N	50.4	Low	52	Low	96 Å²	96	103.3 Å²	103.3	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.2	-75.9	-9.5	0	0	0	113.2	T528 E529 L535 L536	T528-N532 WeakPolarHBondContact O-CB 3.29Å; T528-N532 PolarHBondContact O-N 2.96Å; E529-N532 PolarHBondContact O-N 3.35Å; E529-N532 VanDerWaalsContact O-N 3.16Å; N532-L535 PolarHBondContact O-N 2.61Å; N532-L536 WeakPolarHBondContact O-CB 3.29Å; N532-L536 WeakPolarHBondContact O-CG 3.47Å; N532-L536 PolarHBondContact O-N 3.09Å
533	E	50.9	Low	50.7	Low	129 Å²	129	102.2 Å²	102.2	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-64.7	-43.6	173.4	-75.4	-172.1	140	0	0	111.5	E529 L535 L536 I537	E529-E533 PolarHBondContact O-N 2.92Å; E533-L535 VanDerWaalsContact C-N 3.27Å; E533-L535 PolarHBondContact O-N 3Å; E533-L536 PolarHBondContact O-N 2.93Å; E533-I537 WeakPolarHBondContact O-CB 3.41Å; E533-I537 WeakPolarHBondContact O-CD1 3.46Å; E533-I537 VanDerWaalsContact O-CG1 3.25Å; E533-I537 WeakPolarHBondContact O-CG1 3.39Å; E533-I537 PolarHBondContact O-N 2.82Å
534	N	48.4	Very low	49.7	Very low	99 Å²	99	104.5 Å²	104.5	53%	0.529	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-26.7	174.5	-78	-83.2	0	0	0	112.7	S530 L531 R538	S530-N534 PolarHBondContact O-N 3.19Å; S530-N534 VanDerWaalsContact O-N 3.14Å; S530-N534 PolarHBondContact O-ND2 2.99Å; L531-N534 PolarHBondContact O-N 2.87Å; N534-R538 VanDerWaalsContact O-CG 3.29Å; N534-R538 WeakPolarHBondContact O-CG 3.45Å; N534-R538 PolarHBondContact O-N 3.41Å
535	L	48.6	Very low	48.8	Very low	93 Å²	93	108.5 Å²	108.5	49%	0.487	57%	0.572	S	S	.	*	H	α-helix	trans	-75	-41.9	173.8	-158.8	73	0	0	0	111.6	L531 N532 E533 R538 Q539	L531-L535 WeakPolarHBondContact O-CB 3.4Å; L531-L535 PolarHBondContact O-N 3.26Å; N532-L535 PolarHBondContact O-N 2.61Å; E533-L535 VanDerWaalsContact C-N 3.27Å; E533-L535 PolarHBondContact O-N 3Å; L535-R538 CarbonylContact O-C 3.6Å; L535-R538 WeakPolarHBondContact O-CB 3.41Å; L535-R538 PolarHBondContact O-N 3.05Å; L535-Q539 WeakPolarHBondContact O-CG 3.22Å; L535-Q539 PolarHBondContact O-N 3.16Å
536	L	47	Very low	47.7	Very low	105 Å²	105	113.3 Å²	113.3	55%	0.55	59%	0.592	S	S	.	*	H	α-helix	trans	-64.1	-42.3	175.1	-80.4	161.7	0	0	0	111.9	N532 E533 R538 Q539	N532-L536 WeakPolarHBondContact O-CB 3.29Å; N532-L536 WeakPolarHBondContact O-CG 3.47Å; N532-L536 PolarHBondContact O-N 3.09Å; E533-L536 PolarHBondContact O-N 2.93Å; L536-R538 PolarHBondContact O-N 2.9Å; L536-Q539 PolarHBondContact O-N 3.32Å
537	I	51.7	Low	46.9	Very low	124 Å²	124	118.2 Å²	118.2	64%	0.636	61%	0.608	S	S	*	*	H	α-helix	trans	-63.5	-27	175.1	-68.9	165.3	0	0	0	111.7	E533	E533-I537 WeakPolarHBondContact O-CB 3.41Å; E533-I537 WeakPolarHBondContact O-CD1 3.46Å; E533-I537 VanDerWaalsContact O-CG1 3.25Å; E533-I537 WeakPolarHBondContact O-CG1 3.39Å; E533-I537 PolarHBondContact O-N 2.82Å
538	R	48.6	Very low	46.2	Very low	143 Å²	143	123 Å²	123	54%	0.54	63%	0.632	S	S	.	*	H	α-helix	trans	-82.3	-17.9	171.9	-74.1	174	176	-153.5	-2.9	114	N534 L535 L536 N570	N534-R538 VanDerWaalsContact O-CG 3.29Å; N534-R538 WeakPolarHBondContact O-CG 3.45Å; N534-R538 PolarHBondContact O-N 3.41Å; L535-R538 CarbonylContact O-C 3.6Å; L535-R538 WeakPolarHBondContact O-CB 3.41Å; L535-R538 PolarHBondContact O-N 3.05Å; L536-R538 PolarHBondContact O-N 2.9Å; R538-N570 PolarHBondContact NH1-ND2 3Å
539	Q	44.1	Very low	45.8	Very low	139 Å²	139	127.6 Å²	127.6	65%	0.65	65%	0.654	S	S	*	*	H	α-helix	trans	-84.9	-8.5	179.5	-76.8	175.3	0.8	0	0	113.7	L535 L536	L535-Q539 WeakPolarHBondContact O-CG 3.22Å; L535-Q539 PolarHBondContact O-N 3.16Å; L536-Q539 PolarHBondContact O-N 3.32Å
540	E	46.8	Very low	45.8	Very low	188 Å²	188	128.7 Å²	128.7	88%	0.879	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-0.3	174.5	-62.9	-165.2	147.3	0	0	113.9
541	A	44.5	Very low	46.4	Very low	62 Å²	62	134.8 Å²	134.8	51%	0.512	69%	0.686	S	S	.	*	S	Bend	trans	-143.9	132.6	175.8	0	0	0	0	0	111.3
542	E	38.4	Very low	47.5	Very low	197 Å²	197	133.6 Å²	133.6	92%	0.921	68%	0.682	S	S	*	*	S	Bend	trans	79.8	154.1	-175.1	-55.7	174.5	165.5	0	0	114.5
543	S	39.6	Very low	49.2	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	68%	0.683	S	S	*	*			trans	-88.8	155.4	-168.4	42.2	0	0	0	0	112.6	E545	S543-E545 VanDerWaalsContact C-N 3.31Å; S543-E545 PolarHBondContact O-N 2.95Å
544	P	36.8	Very low	51	Low	131 Å²	131	129.6 Å²	129.6	85%	0.851	67%	0.668	S	S	*	*			trans	-72.7	85.1	176	31.6	-35.4	0	0	0	110.9
545	E	38.9	Very low	53.1	Low	168 Å²	168	127 Å²	127	79%	0.785	65%	0.654	S	S	*	*			trans	-80.1	137.1	149.5	-62.9	-167.4	174.9	0	0	107.6	S543 E547	S543-E545 VanDerWaalsContact C-N 3.31Å; S543-E545 PolarHBondContact O-N 2.95Å; E545-E547 VanDerWaalsContact C-N 3.34Å; E545-E547 PolarHBondContact O-N 3.39Å
546	E	38.4	Very low	55	Low	191 Å²	191	129.6 Å²	129.6	89%	0.893	67%	0.674	S	S	*	*			trans	-79	82.1	-175.8	-63.3	177.6	153.8	0	0	108.8	D548	E546-D548 PolarHBondContact O-N 2.83Å
547	E	40.9	Very low	57	Low	172 Å²	172	130.1 Å²	130.1	80%	0.804	68%	0.677	S	S	*	*			trans	-60.1	119.5	167.4	-72.4	-165.1	144.3	0	0	108.6	E545 D549	E545-E547 VanDerWaalsContact C-N 3.34Å; E545-E547 PolarHBondContact O-N 3.39Å; E547-D549 PolarHBondContact O-N 2.88Å
548	D	40	Very low	59	Low	147 Å²	147	124.6 Å²	124.6	79%	0.786	65%	0.65	S	S	*	*			trans	-56.5	124.7	-177.3	-73.5	-71.3	0	0	0	111.7	E546 D550	E546-D548 PolarHBondContact O-N 2.83Å; D548-D550 PolarHBondContact O-N 3.06Å
549	D	45.2	Very low	61.1	Low	165 Å²	165	118.4 Å²	118.4	88%	0.882	63%	0.628	S	S	*	*			trans	-70	70.3	158.1	-112.9	-26.8	0	0	0	107.6	E547 E551	E547-D549 PolarHBondContact O-N 2.88Å; D549-E551 PolarHBondContact O-N 3.49Å
550	D	56.2	Low	63.5	Low	141 Å²	141	112 Å²	112	75%	0.754	60%	0.598	S	S	*	*			trans	-52.7	106.7	173	-111.1	-27	0	0	0	107.9	D548 V552	D548-D550 PolarHBondContact O-N 3.06Å; D550-V552 PolarHBondContact O-N 2.81Å
551	E	65.3	Low	65.8	Low	176 Å²	176	107.6 Å²	107.6	82%	0.822	58%	0.579	S	S	*	*			trans	-54.4	112.5	-176.2	-78.2	-165.3	136.1	0	0	109.1	D549 V553	D549-E551 PolarHBondContact O-N 3.49Å; E551-V553 WeakPolarHBondContact O-CG2 3.5Å; E551-V553 PolarHBondContact O-N 2.82Å
552	V	77.2	Confident	68.2	Low	48 Å²	48	106.3 Å²	106.3	29%	0.291	56%	0.561	S	S	.	*			trans	-63.4	103.2	-175.3	176.9	0	0	0	0	109.8	D550 L560 Y643 H644	D550-V552 PolarHBondContact O-N 2.81Å; V552-L560 HydrophobicContact CG1-CD1 3.42Å; V552-L560 VanDerWaalsContact CG1-CD1 3.42Å; V552-Y643 HydrophobicContact CG1-CE1 4.06Å; V552-H644 HydrophobicContact CB-CB 4.25Å; V552-H644 HydrophobicContact CG1-CB 4Å
553	V	85	Confident	70.8	Confident	87 Å²	87	100.7 Å²	100.7	53%	0.527	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-88.3	127.5	-171.6	-165.7	0	0	0	0	111.9	E551 I561	E551-V553 WeakPolarHBondContact O-CG2 3.5Å; E551-V553 PolarHBondContact O-N 2.82Å; V553-I561 HydrophobicContact CB-CD1 4.12Å; V553-I561 HydrophobicContact CG1-CD1 3.86Å; V553-I561 WeakPolarHBondContact O-CB 3.33Å; V553-I561 WeakPolarHBondContact O-CG1 3.48Å; V553-I561 PolarHBondContact O-N 3.46Å; V553-I561 VanDerWaalsContact O-N 3.08Å
554	D	90.5	Very high	73.5	Confident	54 Å²	54	102.2 Å²	102.2	29%	0.289	54%	0.544	S	S	.	.	B	Isolated β-bridge	trans	-86.8	141.8	167.1	-69.7	-2.9	0	0	0	111	H559 N605 H646	D554-H559 CarbonylContact C-O 3.59Å; D554-H559 WeakPolarHBondContact CA-O 3.32Å; D554-N605 WeakPolarHBondContact OD2-CB 3.36Å; D554-N605 PolarHBondContact OD2-ND2 2.87Å; D554-H646 IonicContact OD1-CE1 2.71Å; D554-H646 IonicContact OD1-NE2 3.13Å; D554-H646 PolarHBondContact OD1-NE2 2.94Å
555	D	90.9	Very high	76.3	Confident	44 Å²	44	98 Å²	98	24%	0.235	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-72.7	168	166	73.2	27.6	0	0	0	112.4	D557 G558 H559 I561 K585	D555-D557 PolarHBondContact O-N 3.39Å; D555-D557 PolarHBondContact OD1-N 2.91Å; D555-D557 VanDerWaalsContact OD1-N 3.13Å; D555-G558 WeakPolarHBondContact O-CA 3.41Å; D555-G558 PolarHBondContact O-N 3.38Å; D555-G558 PolarHBondContact OD1-N 2.89Å; D555-G558 VanDerWaalsContact OD1-N 3.15Å; D555-H559 PolarHBondContact N-O 2.87Å; D555-H559 IonicContact OD1-CD2 3.36Å; D555-H559 PolarHBondContact OD1-CD2 3.23Å; D555-H559 IonicContact OD1-CG 2.61Å; D555-H559 PolarHBondContact OD1-N 3.46Å; D555-H559 WeakPolarHBondContact OD2-CB 3.43Å; D555-H559 IonicContact OD2-CD2 3.45Å; D555-H559 PolarHBondContact OD2-CD2 3.36Å; D555-H559 VanDerWaalsContact OD2-CD2 3.29Å; D555-H559 IonicContact OD2-CG 3.95Å; D555-I561 HydrophobicContact CB-CD1 4.27Å; D555-I561 HydrophobicContact CB-CG1 4.11Å; D555-K585 IonicContact OD2-NZ 3.13Å; D555-K585 PolarHBondContact OD2-NZ 3.38Å
556	V	89.9	Confident	78.9	Confident	149 Å²	149	92.9 Å²	92.9	90%	0.903	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.2	-175.9	-65.6	0	0	0	0	114.6
557	D	88.8	Confident	81.6	Confident	115 Å²	115	89.9 Å²	89.9	62%	0.615	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	6.9	174.5	-73.9	-61.4	0	0	0	112.2	D555 K604	D555-D557 PolarHBondContact O-N 3.39Å; D555-D557 PolarHBondContact OD1-N 2.91Å; D555-D557 VanDerWaalsContact OD1-N 3.13Å; D557-K604 VanDerWaalsContact CB-NZ 3.32Å; D557-K604 PolarHBondContact O-NZ 2.92Å
558	G	92.3	Very high	84.1	Confident	8 Å²	8	82 Å²	82	8%	0.082	45%	0.445	C	S	.	.	S	Bend	trans	77.7	23.3	176.3	0	0	0	0	0	115.2	D555 K604 N605	D555-G558 WeakPolarHBondContact O-CA 3.41Å; D555-G558 PolarHBondContact O-N 3.38Å; D555-G558 PolarHBondContact OD1-N 2.89Å; D555-G558 VanDerWaalsContact OD1-N 3.15Å; G558-K604 CarbonylContact O-C 3.49Å; G558-K604 WeakPolarHBondContact O-CA 3.47Å; G558-K604 VanDerWaalsContact O-CB 3.3Å; G558-K604 WeakPolarHBondContact O-CB 3.44Å; G558-N605 PolarHBondContact O-N 3.04Å
559	H	93.8	Very high	86.6	Confident	14 Å²	14	77.7 Å²	77.7	7%	0.065	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-83.2	148.9	165.2	-56.7	-93.1	0	0	0	111	D554 D555 I561 K585 K604	D554-H559 CarbonylContact C-O 3.59Å; D554-H559 WeakPolarHBondContact CA-O 3.32Å; D555-H559 PolarHBondContact N-O 2.87Å; D555-H559 IonicContact OD1-CD2 3.36Å; D555-H559 PolarHBondContact OD1-CD2 3.23Å; D555-H559 IonicContact OD1-CG 2.61Å; D555-H559 PolarHBondContact OD1-N 3.46Å; D555-H559 WeakPolarHBondContact OD2-CB 3.43Å; D555-H559 IonicContact OD2-CD2 3.45Å; D555-H559 PolarHBondContact OD2-CD2 3.36Å; D555-H559 VanDerWaalsContact OD2-CD2 3.29Å; D555-H559 IonicContact OD2-CG 3.95Å; H559-I561 PolarHBondContact O-N 2.96Å; H559-K585 HydrophobicContact CB-CD 4.09Å; H559-K585 VanDerWaalsContact CB-NZ 3.3Å; H559-K585 VanDerWaalsContact CG-CE 3.47Å; H559-K604 PolarHBondContact CD2-NZ 3.43Å; H559-K604 VanDerWaalsContact CE1-CE 3.43Å; H559-K604 WeakPolarHBondContact CE1-CE 3.35Å; H559-K604 PolarHBondContact CE1-NZ 3.13Å; H559-K604 WeakPolarHBondContact NE2-CE 3.17Å; H559-K604 PolarHBondContact NE2-NZ 2.94Å
560	L	95.2	Very high	88.8	Confident	4 Å²	4	74 Å²	74	2%	0.021	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-55.3	132.6	162.9	-174.7	58.3	0	0	0	109.9	V552 Y562 L568 K585 I602 Y643 H646	V552-L560 HydrophobicContact CG1-CD1 3.42Å; V552-L560 VanDerWaalsContact CG1-CD1 3.42Å; L560-Y562 HydrophobicContact CG-CD1 4.39Å; L560-L568 HydrophobicContact CD2-CD1 4.39Å; L560-L568 HydrophobicContact CD2-CD2 3.9Å; L560-K585 PolarHBondContact O-NZ 3.48Å; L560-I602 HydrophobicContact CB-CG2 4.03Å; L560-I602 HydrophobicContact CD2-CD1 4.42Å; L560-I602 HydrophobicContact CD2-CG2 4.09Å; L560-Y643 HydrophobicContact CD1-CE1 4.15Å; L560-Y643 HydrophobicContact CD2-CD1 4.05Å; L560-Y643 HydrophobicContact CD2-CE1 3.98Å; L560-H646 WeakPolarHBondContact CA-NE2 3.31Å; L560-H646 WeakPolarHBondContact CB-NE2 3.42Å; L560-H646 PolarHBondContact N-CE1 2.94Å; L560-H646 PolarHBondContact N-NE2 2.88Å
561	I	94.5	Very high	90.7	Very high	95 Å²	95	69.5 Å²	69.5	49%	0.487	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-84.3	130.9	163.6	-60	-179.7	0	0	0	107.8	V553 D555 H559	V553-I561 HydrophobicContact CB-CD1 4.12Å; V553-I561 HydrophobicContact CG1-CD1 3.86Å; V553-I561 WeakPolarHBondContact O-CB 3.33Å; V553-I561 WeakPolarHBondContact O-CG1 3.48Å; V553-I561 PolarHBondContact O-N 3.46Å; V553-I561 VanDerWaalsContact O-N 3.08Å; D555-I561 HydrophobicContact CB-CD1 4.27Å; D555-I561 HydrophobicContact CB-CG1 4.11Å; H559-I561 PolarHBondContact O-N 2.96Å
562	Y	94.1	Very high	92.2	Very high	36 Å²	36	61.2 Å²	61.2	14%	0.141	34%	0.336	C	S	.	.			trans	-153.1	156.2	177.8	63.9	-99.1	0	0	0	110.3	L560 D566 I574 T577 K585 V587 I602	L560-Y562 HydrophobicContact CG-CD1 4.39Å; Y562-D566 WeakPolarHBondContact CA-OD2 3.45Å; Y562-I574 HydrophobicContact CD1-CD1 4.35Å; Y562-I574 HydrophobicContact CD2-CD1 3.64Å; Y562-I574 HydrophobicContact CD2-CG2 3.93Å; Y562-I574 HydrophobicContact CE2-CD1 4.35Å; Y562-I574 HydrophobicContact CE2-CG2 3.98Å; Y562-I574 HydrophobicContact CG-CD1 3.67Å; Y562-T577 PolarHBondContact OH-OG1 2.9Å; Y562-K585 HydrophobicContact CE1-CB 4.19Å; Y562-K585 HydrophobicContact CE1-CD 3.62Å; Y562-K585 HydrophobicContact CE1-CG 4.49Å; Y562-V587 HydrophobicContact CE1-CG1 4.19Å; Y562-V587 HydrophobicContact CE2-CG1 3.69Å; Y562-V587 VanDerWaalsContact CZ-CG1 3.43Å; Y562-V587 WeakPolarHBondContact OH-CG1 3.34Å; Y562-I602 HydrophobicContact CD1-CD1 4.49Å; Y562-I602 HydrophobicContact CE1-CD1 4.36Å
563	S	94.2	Very high	93.1	Very high	78 Å²	78	61 Å²	61	55%	0.545	33%	0.332	S	S	.	.			trans	-108.1	178.7	170	-63.7	0	0	0	0	111.7	D566	S563-D566 VanDerWaalsContact C-OD1 3.23Å; S563-D566 WeakPolarHBondContact CA-OD1 3.21Å; S563-D566 WeakPolarHBondContact CB-OD1 3.31Å; S563-D566 VanDerWaalsContact N-CG 3.29Å; S563-D566 PolarHBondContact N-OD1 2.97Å; S563-D566 PolarHBondContact N-OD2 3.01Å
564	I	95.6	Very high	93.7	Very high	124 Å²	124	56.9 Å²	56.9	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-88.5	121.6	173.7	-67.1	172.9	0	0	0	107.9	V575	I564-V575 WeakPolarHBondContact CG2-O 3.28Å
565	G	94.9	Very high	94	Very high	42 Å²	42	56.8 Å²	56.8	43%	0.433	31%	0.308	S	S	.	.	S	Bend	trans	120.2	-27.6	-171.6	0	0	0	0	0	113.4	I574	G565-I574 PolarHBondContact N-O 2.85Å
566	D	95.1	Very high	94.2	Very high	61 Å²	61	59.1 Å²	59.1	33%	0.326	32%	0.316	S	S	.	.			trans	-57.6	145.1	-175.9	-56.3	24.1	0	0	0	112.6	Y562 S563 E573 I574	Y562-D566 WeakPolarHBondContact CA-OD2 3.45Å; S563-D566 VanDerWaalsContact C-OD1 3.23Å; S563-D566 WeakPolarHBondContact CA-OD1 3.21Å; S563-D566 WeakPolarHBondContact CB-OD1 3.31Å; S563-D566 VanDerWaalsContact N-CG 3.29Å; S563-D566 PolarHBondContact N-OD1 2.97Å; S563-D566 PolarHBondContact N-OD2 3.01Å; D566-E573 CarbonylContact O-C 3.59Å; D566-E573 VanDerWaalsContact O-CA 3.31Å; D566-E573 WeakPolarHBondContact O-CA 3.39Å; D566-I574 HydrophobicContact CB-CD1 4.32Å; D566-I574 PolarHBondContact O-N 2.89Å
567	R	94.5	Very high	94.4	Very high	127 Å²	127	55.3 Å²	55.3	48%	0.479	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	93.6	-173.4	-70.1	-174.3	172.3	171.2	2.1	113.2	L569 N570 Y572 E573	R567-L569 PolarHBondContact O-N 3.09Å; R567-N570 PolarHBondContact O-N 2.74Å; R567-N570 VanDerWaalsContact O-N 3.17Å; R567-Y572 WeakPolarHBondContact CA-O 3.19Å; R567-E573 HydrophobicContact CG-CB 4.01Å; R567-E573 HydrophobicContact CG-CG 4.34Å; R567-E573 IonicContact CZ-OE2 2.62Å; R567-E573 VanDerWaalsContact CZ-OE2 3.24Å; R567-E573 IonicContact NE-OE2 3.9Å; R567-E573 PolarHBondContact NE-OE2 2.98Å; R567-E573 IonicContact NH2-OE2 2.69Å; R567-E573 PolarHBondContact NH2-OE2 3.48Å
568	L	94	Very high	94.5	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.3	175	-51.9	179.6	0	0	0	110.3	L560 N570 R571 Y572 I574 L600 I602 Y643	L560-L568 HydrophobicContact CD2-CD1 4.39Å; L560-L568 HydrophobicContact CD2-CD2 3.9Å; L568-N570 PolarHBondContact O-N 2.83Å; L568-N570 VanDerWaalsContact O-N 3.15Å; L568-R571 PolarHBondContact O-N 3.18Å; L568-R571 VanDerWaalsContact O-N 3.07Å; L568-Y572 PolarHBondContact N-O 3.31Å; L568-Y572 PolarHBondContact O-N 3.4Å; L568-I574 HydrophobicContact CD1-CD1 4.2Å; L568-I574 HydrophobicContact CG-CD1 4.23Å; L568-L600 HydrophobicContact CD1-CD2 3.65Å; L568-I602 HydrophobicContact CD1-CD1 3.81Å; L568-I602 HydrophobicContact CD1-CG1 4.46Å; L568-Y643 HydrophobicContact CD2-CD1 4.15Å; L568-Y643 HydrophobicContact CD2-CE1 3.62Å; L568-Y643 HydrophobicContact CD2-CE2 4.47Å
569	L	92.3	Very high	94.2	Very high	57 Å²	57	54.5 Å²	54.5	30%	0.298	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	30.8	-173.7	-59.8	178.7	0	0	0	114.1	L531 R567 R571 F641 Y643	L531-L569 HydrophobicContact CD1-CD2 4.41Å; L531-L569 HydrophobicContact CD2-CD2 4.35Å; R567-L569 PolarHBondContact O-N 3.09Å; L569-R571 PolarHBondContact O-N 3.33Å; L569-F641 HydrophobicContact CD1-CB 4.15Å; L569-F641 HydrophobicContact CD1-CD1 4.37Å; L569-F641 HydrophobicContact CD1-CD2 3.44Å; L569-F641 VanDerWaalsContact CD1-CD2 3.44Å; L569-F641 HydrophobicContact CD1-CE2 3.8Å; L569-F641 HydrophobicContact CD1-CG 3.76Å; L569-F641 HydrophobicContact CD1-CZ 4.42Å; L569-F641 HydrophobicContact CG-CD2 4.18Å; L569-F641 HydrophobicContact CG-CE2 4.18Å; L569-Y643 HydrophobicContact CD2-CD2 3.85Å; L569-Y643 HydrophobicContact CD2-CE2 4.29Å; L569-Y643 HydrophobicContact CG-CD2 4.12Å
570	N	90.8	Very high	93.9	Very high	89 Å²	89	59.8 Å²	59.8	48%	0.476	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	14.7	-174.8	-102.3	-42	0	0	0	115	R538 R567 L568	R538-N570 PolarHBondContact NH1-ND2 3Å; R567-N570 PolarHBondContact O-N 2.74Å; R567-N570 VanDerWaalsContact O-N 3.17Å; L568-N570 PolarHBondContact O-N 2.83Å; L568-N570 VanDerWaalsContact O-N 3.15Å
571	R	95.2	Very high	93.3	Very high	46 Å²	46	60.2 Å²	60.2	17%	0.174	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-38.6	-172.5	172.4	174	172.5	-150.2	-11.7	113.6	L568 L569 D591 H592 V593 D639	L568-R571 PolarHBondContact O-N 3.18Å; L568-R571 VanDerWaalsContact O-N 3.07Å; L569-R571 PolarHBondContact O-N 3.33Å; R571-D591 WeakPolarHBondContact CG-OD1 3.35Å; R571-D591 IonicContact CZ-OD1 3.55Å; R571-D591 IonicContact CZ-OD2 2.86Å; R571-D591 IonicContact NE-OD1 3.92Å; R571-D591 PolarHBondContact NE-OD1 3.25Å; R571-D591 IonicContact NE-OD2 3.32Å; R571-D591 PolarHBondContact NE-OD2 3.48Å; R571-D591 IonicContact NH2-OD1 2.68Å; R571-D591 IonicContact NH2-OD2 2.66Å; R571-D591 PolarHBondContact NH2-OD2 2.95Å; R571-H592 PolarHBondContact O-CD2 3.46Å; R571-H592 PolarHBondContact O-N 3.25Å; R571-V593 HydrophobicContact CB-CG2 4.44Å; R571-V593 HydrophobicContact CG-CB 4.19Å; R571-V593 HydrophobicContact CG-CG2 3.81Å; R571-D639 IonicContact CZ-OD2 3.51Å; R571-D639 IonicContact NH1-OD2 2.96Å; R571-D639 PolarHBondContact NH1-OD2 2.91Å; R571-D639 IonicContact NH2-OD2 2.66Å; R571-D639 PolarHBondContact NH2-OD2 3Å
572	Y	96.8	Very high	92.7	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	94.5	-171.1	-62.2	-67.3	0	0	0	110.7	R567 L568 D591 I598 D639 F641	R567-Y572 WeakPolarHBondContact CA-O 3.19Å; L568-Y572 PolarHBondContact N-O 3.31Å; L568-Y572 PolarHBondContact O-N 3.4Å; Y572-D591 HydrophobicContact CD1-CB 3.94Å; Y572-D591 HydrophobicContact CE1-CB 3.87Å; Y572-I598 HydrophobicContact CD1-CD1 3.54Å; Y572-I598 HydrophobicContact CD1-CG1 4.42Å; Y572-I598 HydrophobicContact CE1-CD1 3.47Å; Y572-I598 VanDerWaalsContact CE1-CD1 3.47Å; Y572-D639 WeakPolarHBondContact OH-CB 3.4Å; Y572-D639 PolarHBondContact OH-OD2 2.99Å; Y572-F641 AromaticContact CD2-CE1 3.75Å; Y572-F641 HydrophobicContact CD2-CE1 3.75Å; Y572-F641 AromaticContact CD2-CZ 3.68Å; Y572-F641 HydrophobicContact CD2-CZ 3.68Å; Y572-F641 HydrophobicContact CE2-CD1 4.06Å; Y572-F641 AromaticContact CE2-CE1 3.29Å; Y572-F641 HydrophobicContact CE2-CE1 3.29Å; Y572-F641 AromaticContact CE2-CZ 3.74Å; Y572-F641 HydrophobicContact CE2-CZ 3.74Å
573	E	97.2	Very high	92.3	Very high	44 Å²	44	59 Å²	59	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.1	-179.6	177.5	176	98.6	0	0	110.9	D566 R567 V575 C589 K590 H592	D566-E573 CarbonylContact O-C 3.59Å; D566-E573 VanDerWaalsContact O-CA 3.31Å; D566-E573 WeakPolarHBondContact O-CA 3.39Å; R567-E573 HydrophobicContact CG-CB 4.01Å; R567-E573 HydrophobicContact CG-CG 4.34Å; R567-E573 IonicContact CZ-OE2 2.62Å; R567-E573 VanDerWaalsContact CZ-OE2 3.24Å; R567-E573 IonicContact NE-OE2 3.9Å; R567-E573 PolarHBondContact NE-OE2 2.98Å; R567-E573 IonicContact NH2-OE2 2.69Å; R567-E573 PolarHBondContact NH2-OE2 3.48Å; E573-V575 PolarHBondContact O-N 2.84Å; E573-C589 CarbonylContact O-C 3.34Å; E573-C589 WeakPolarHBondContact O-CA 3.34Å; E573-K590 HydrophobicContact CB-CB 4.34Å; E573-K590 PolarHBondContact N-O 3.05Å; E573-K590 PolarHBondContact O-N 2.83Å; E573-H592 VanDerWaalsContact CB-NE2 3.3Å; E573-H592 WeakPolarHBondContact CB-NE2 3.33Å; E573-H592 VanDerWaalsContact CD-NE2 3.25Å; E573-H592 IonicContact OE1-CE1 2.68Å; E573-H592 IonicContact OE1-NE2 3.2Å; E573-H592 IonicContact OE2-CE1 3.33Å; E573-H592 PolarHBondContact OE2-CE1 2.86Å; E573-H592 IonicContact OE2-NE2 3.46Å; E573-H592 PolarHBondContact OE2-NE2 2.88Å
574	I	97.3	Very high	92.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.5	-175.9	-61.6	-179.2	0	0	0	110.3	Y562 G565 D566 L568 V587	Y562-I574 HydrophobicContact CD1-CD1 4.35Å; Y562-I574 HydrophobicContact CD2-CD1 3.64Å; Y562-I574 HydrophobicContact CD2-CG2 3.93Å; Y562-I574 HydrophobicContact CE2-CD1 4.35Å; Y562-I574 HydrophobicContact CE2-CG2 3.98Å; Y562-I574 HydrophobicContact CG-CD1 3.67Å; G565-I574 PolarHBondContact N-O 2.85Å; D566-I574 HydrophobicContact CB-CD1 4.32Å; D566-I574 PolarHBondContact O-N 2.89Å; L568-I574 HydrophobicContact CD1-CD1 4.2Å; L568-I574 HydrophobicContact CG-CD1 4.23Å; I574-V587 HydrophobicContact CG1-CG2 4.42Å; I574-V587 HydrophobicContact CG2-CB 4.15Å; I574-V587 HydrophobicContact CG2-CG1 4.04Å
575	V	96.7	Very high	92	Very high	51 Å²	51	50.6 Å²	50.6	31%	0.309	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-42	-176.9	-177.9	0	0	0	0	112	I564 E573 E588 K590	I564-V575 WeakPolarHBondContact CG2-O 3.28Å; E573-V575 PolarHBondContact O-N 2.84Å; V575-E588 HydrophobicContact CB-CB 4.42Å; V575-E588 HydrophobicContact CB-CG 4.33Å; V575-E588 WeakPolarHBondContact CB-O 3.5Å; V575-E588 PolarHBondContact N-O 2.84Å; V575-K590 HydrophobicContact CG2-CB 4.29Å
576	K	95.5	Very high	92	Very high	94 Å²	94	50.2 Å²	50.2	41%	0.409	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	155.6	173.7	66.1	176.2	-162	-95.4	0	112	V587 E588	K576-V587 CarbonylContact O-C 3.59Å; K576-V587 VanDerWaalsContact O-CA 3.28Å; K576-V587 WeakPolarHBondContact O-CA 3.2Å; K576-V587 WeakPolarHBondContact O-CB 3.39Å; K576-E588 HydrophobicContact CG-CB 3.98Å; K576-E588 PolarHBondContact N-O 3.32Å; K576-E588 IonicContact NZ-OE2 2.9Å; K576-E588 PolarHBondContact NZ-OE2 3.42Å; K576-E588 PolarHBondContact O-N 2.99Å
577	T	94	Very high	92.1	Very high	68 Å²	68	47.3 Å²	47.3	42%	0.417	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.7	164.2	-52.3	0	0	0	0	110.3	Y562	Y562-T577 PolarHBondContact OH-OG1 2.9Å
578	L	90.5	Very high	92.2	Very high	76 Å²	76	41.8 Å²	41.8	40%	0.398	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-33.7	174.7	-68.6	168.2	0	0	0	111.9	V586 E588 A599 I653	L578-V586 WeakPolarHBondContact CA-O 3.19Å; L578-V586 HydrophobicContact CB-CB 4.5Å; L578-V586 HydrophobicContact CB-CG1 4.32Å; L578-V586 HydrophobicContact CD1-CG1 4.26Å; L578-V586 PolarHBondContact N-O 3.14Å; L578-E588 HydrophobicContact CD1-CB 4.07Å; L578-E588 HydrophobicContact CD2-CB 4.31Å; L578-E588 HydrophobicContact CG-CB 4.14Å; L578-A599 HydrophobicContact CD1-CB 3.94Å; L578-I653 HydrophobicContact CD1-CD1 3.63Å; L578-I653 HydrophobicContact CD2-CD1 4.38Å
579	G	86.9	Confident	92.4	Very high	31 Å²	31	41.5 Å²	41.5	32%	0.32	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	168.3	177.6	0	0	0	0	0	113.2	V586	G579-V586 PolarHBondContact N-O 2.95Å; G579-V586 VanDerWaalsContact N-O 3.17Å; G579-V586 PolarHBondContact O-N 3.05Å
580	E	87.7	Confident	92.6	Very high	124 Å²	124	42.1 Å²	42.1	58%	0.579	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	143	178	-173.5	175.5	101.9	0	0	109.6	K585	E580-K585 HydrophobicContact CB-CG 4.39Å; E580-K585 HydrophobicContact CG-CG 3.89Å; E580-K585 WeakPolarHBondContact OE2-CE 3.48Å
581	G	81.8	Confident	92.9	Very high	14 Å²	14	38 Å²	38	14%	0.144	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	177.4	-178.1	0	0	0	0	0	112.5	F583 G584	G581-F583 PolarHBondContact O-N 3.12Å; G581-G584 PolarHBondContact N-O 3.12Å; G581-G584 PolarHBondContact O-N 3.44Å
582	T	82.4	Confident	92.8	Very high	46 Å²	46	38.6 Å²	38.6	28%	0.282	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.6	-174.9	52.5	0	0	0	0	114.1	Q430 A434 Y609	Q430-T582 HydrophobicContact CB-CG2 3.83Å; Q430-T582 HydrophobicContact CG-CG2 4.26Å; A434-T582 HydrophobicContact CB-CG2 4.3Å; T582-Y609 VanDerWaalsContact O-CE1 3.29Å; T582-Y609 WeakPolarHBondContact O-CE1 3.31Å; T582-Y609 WeakPolarHBondContact O-CE2 3.16Å; T582-Y609 PolarHBondContact O-OH 2.82Å
583	F	84.7	Confident	92.6	Very high	60 Å²	60	43.9 Å²	43.9	26%	0.263	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-21	178.5	55.2	-102.9	0	0	0	114.1	G581 V586 K601 I603 K604 Y609	G581-F583 PolarHBondContact O-N 3.12Å; F583-V586 HydrophobicContact CE2-CG2 4.08Å; F583-V586 HydrophobicContact CZ-CG2 4.36Å; F583-K601 HydrophobicContact CD2-CG 4.3Å; F583-K601 HydrophobicContact CE2-CD 4.33Å; F583-K601 HydrophobicContact CE2-CG 3.92Å; F583-I603 HydrophobicContact CB-CD1 4.28Å; F583-I603 HydrophobicContact CD2-CD1 3.97Å; F583-I603 HydrophobicContact CG-CD1 4.47Å; F583-I603 WeakPolarHBondContact O-CA 3.27Å; F583-K604 PolarHBondContact O-N 3.34Å; F583-Y609 HydrophobicContact CB-CD1 4.5Å
584	G	90.9	Very high	92.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.4	-167.5	-162.4	0	0	0	0	0	114.8	G581 I602	G581-G584 PolarHBondContact N-O 3.12Å; G581-G584 PolarHBondContact O-N 3.44Å; G584-I602 CarbonylContact C-O 3.57Å; G584-I602 WeakPolarHBondContact CA-O 3.3Å
585	K	93.8	Very high	92	Very high	25 Å²	25	51.4 Å²	51.4	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.6	177.5	-70.8	162.2	-171.2	165.1	0	109.1	D555 H559 L560 Y562 E580 I602	D555-K585 IonicContact OD2-NZ 3.13Å; D555-K585 PolarHBondContact OD2-NZ 3.38Å; H559-K585 HydrophobicContact CB-CD 4.09Å; H559-K585 VanDerWaalsContact CB-NZ 3.3Å; H559-K585 VanDerWaalsContact CG-CE 3.47Å; L560-K585 PolarHBondContact O-NZ 3.48Å; Y562-K585 HydrophobicContact CE1-CB 4.19Å; Y562-K585 HydrophobicContact CE1-CD 3.62Å; Y562-K585 HydrophobicContact CE1-CG 4.49Å; E580-K585 HydrophobicContact CB-CG 4.39Å; E580-K585 HydrophobicContact CG-CG 3.89Å; E580-K585 WeakPolarHBondContact OE2-CE 3.48Å; K585-I602 PolarHBondContact N-O 3.37Å; K585-I602 PolarHBondContact O-N 3.18Å
586	V	94.5	Very high	91.9	Very high	33 Å²	33	52.8 Å²	52.8	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128	172.4	-172.5	0	0	0	0	108.1	L578 G579 F583 A599 L600 K601	L578-V586 WeakPolarHBondContact CA-O 3.19Å; L578-V586 HydrophobicContact CB-CB 4.5Å; L578-V586 HydrophobicContact CB-CG1 4.32Å; L578-V586 HydrophobicContact CD1-CG1 4.26Å; L578-V586 PolarHBondContact N-O 3.14Å; G579-V586 PolarHBondContact N-O 2.95Å; G579-V586 VanDerWaalsContact N-O 3.17Å; G579-V586 PolarHBondContact O-N 3.05Å; F583-V586 HydrophobicContact CE2-CG2 4.08Å; F583-V586 HydrophobicContact CZ-CG2 4.36Å; V586-A599 HydrophobicContact CG1-CB 4.37Å; V586-L600 WeakPolarHBondContact CA-O 3.48Å; V586-K601 HydrophobicContact CG2-CB 4.42Å; V586-K601 HydrophobicContact CG2-CG 4.22Å
587	V	96.4	Very high	91.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151	-178	-66.1	0	0	0	0	111.4	Y562 I574 K576 C589 A599 L600 I602	Y562-V587 HydrophobicContact CE1-CG1 4.19Å; Y562-V587 HydrophobicContact CE2-CG1 3.69Å; Y562-V587 VanDerWaalsContact CZ-CG1 3.43Å; Y562-V587 WeakPolarHBondContact OH-CG1 3.34Å; I574-V587 HydrophobicContact CG1-CG2 4.42Å; I574-V587 HydrophobicContact CG2-CB 4.15Å; I574-V587 HydrophobicContact CG2-CG1 4.04Å; K576-V587 CarbonylContact O-C 3.59Å; K576-V587 VanDerWaalsContact O-CA 3.28Å; K576-V587 WeakPolarHBondContact O-CA 3.2Å; K576-V587 WeakPolarHBondContact O-CB 3.39Å; V587-C589 VanDerWaalsContact CG2-SG 3.51Å; V587-A599 CarbonylContact O-C 3.5Å; V587-A599 WeakPolarHBondContact O-CA 3.5Å; V587-L600 HydrophobicContact CG2-CB 3.87Å; V587-L600 HydrophobicContact CG2-CD2 4.45Å; V587-L600 PolarHBondContact N-O 3.38Å; V587-L600 PolarHBondContact O-N 3.15Å; V587-I602 HydrophobicContact CG2-CD1 3.88Å; V587-I602 HydrophobicContact CG2-CG1 4.49Å
588	E	97	Very high	92	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122	160.5	-177	-176.1	151.3	0	0	107.4	V575 K576 L578 R597 I598 I653	V575-E588 HydrophobicContact CB-CB 4.42Å; V575-E588 HydrophobicContact CB-CG 4.33Å; V575-E588 WeakPolarHBondContact CB-O 3.5Å; V575-E588 PolarHBondContact N-O 2.84Å; K576-E588 HydrophobicContact CG-CB 3.98Å; K576-E588 PolarHBondContact N-O 3.32Å; K576-E588 IonicContact NZ-OE2 2.9Å; K576-E588 PolarHBondContact NZ-OE2 3.42Å; K576-E588 PolarHBondContact O-N 2.99Å; L578-E588 HydrophobicContact CD1-CB 4.07Å; L578-E588 HydrophobicContact CD2-CB 4.31Å; L578-E588 HydrophobicContact CG-CB 4.14Å; E588-R597 WeakPolarHBondContact OE1-CD 3.45Å; E588-R597 IonicContact OE1-CZ 2.73Å; E588-R597 IonicContact OE1-NE 3.66Å; E588-R597 IonicContact OE1-NH1 3.19Å; E588-R597 PolarHBondContact OE1-NH1 2.9Å; E588-I598 WeakPolarHBondContact CA-O 3.3Å; E588-I653 HydrophobicContact CG-CD1 4.4Å
589	C	97.4	Very high	92.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.3	171.4	-69.4	0	0	0	0	111.2	E573 V587 R597 I598	E573-C589 CarbonylContact O-C 3.34Å; E573-C589 WeakPolarHBondContact O-CA 3.34Å; V587-C589 VanDerWaalsContact CG2-SG 3.51Å; C589-R597 CarbonylContact O-C 3.53Å; C589-R597 WeakPolarHBondContact O-CA 3.39Å; C589-I598 HydrophobicContact CB-CD1 4.19Å; C589-I598 HydrophobicContact CB-CG1 3.82Å; C589-I598 PolarHBondContact N-O 3.41Å; C589-I598 PolarHBondContact O-N 3.49Å
590	K	97.1	Very high	92.8	Very high	71 Å²	71	48 Å²	48	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.6	159.5	-178.9	-171.8	176.7	-153.9	0	108.3	E573 V575 H592	E573-K590 HydrophobicContact CB-CB 4.34Å; E573-K590 PolarHBondContact N-O 3.05Å; E573-K590 PolarHBondContact O-N 2.83Å; V575-K590 HydrophobicContact CG2-CB 4.29Å; K590-H592 WeakPolarHBondContact CE-ND1 3.37Å; K590-H592 PolarHBondContact NZ-CE1 3.1Å; K590-H592 PolarHBondContact NZ-ND1 3.01Å; K590-H592 PolarHBondContact O-N 3.17Å
591	D	96.3	Very high	93.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	106.8	167.5	-179	-14.2	0	0	0	108	R571 Y572 V593 Q594 N595 R596	R571-D591 WeakPolarHBondContact CG-OD1 3.35Å; R571-D591 IonicContact CZ-OD1 3.55Å; R571-D591 IonicContact CZ-OD2 2.86Å; R571-D591 IonicContact NE-OD1 3.92Å; R571-D591 PolarHBondContact NE-OD1 3.25Å; R571-D591 IonicContact NE-OD2 3.32Å; R571-D591 PolarHBondContact NE-OD2 3.48Å; R571-D591 IonicContact NH2-OD1 2.68Å; R571-D591 IonicContact NH2-OD2 2.66Å; R571-D591 PolarHBondContact NH2-OD2 2.95Å; Y572-D591 HydrophobicContact CD1-CB 3.94Å; Y572-D591 HydrophobicContact CE1-CB 3.87Å; D591-V593 PolarHBondContact OD1-N 3.31Å; D591-Q594 HydrophobicContact CB-CB 4.45Å; D591-Q594 PolarHBondContact OD1-N 3.46Å; D591-Q594 WeakPolarHBondContact OD2-CB 3.13Å; D591-Q594 VanDerWaalsContact OD2-CG 3.27Å; D591-Q594 WeakPolarHBondContact OD2-CG 3.38Å; D591-N595 WeakPolarHBondContact O-CA 3.28Å; D591-N595 PolarHBondContact O-N 3.14Å; D591-R596 HydrophobicContact CB-CG 4.48Å; D591-R596 PolarHBondContact N-O 2.85Å; D591-R596 PolarHBondContact O-N 3.1Å
592	H	93.8	Very high	93.9	Very high	59 Å²	59	42.2 Å²	42.2	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.5	-179.3	-68.4	-88.8	0	0	0	113.2	R571 E573 K590	R571-H592 PolarHBondContact O-CD2 3.46Å; R571-H592 PolarHBondContact O-N 3.25Å; E573-H592 VanDerWaalsContact CB-NE2 3.3Å; E573-H592 WeakPolarHBondContact CB-NE2 3.33Å; E573-H592 VanDerWaalsContact CD-NE2 3.25Å; E573-H592 IonicContact OE1-CE1 2.68Å; E573-H592 IonicContact OE1-NE2 3.2Å; E573-H592 IonicContact OE2-CE1 3.33Å; E573-H592 PolarHBondContact OE2-CE1 2.86Å; E573-H592 IonicContact OE2-NE2 3.46Å; E573-H592 PolarHBondContact OE2-NE2 2.88Å; K590-H592 WeakPolarHBondContact CE-ND1 3.37Å; K590-H592 PolarHBondContact NZ-CE1 3.1Å; K590-H592 PolarHBondContact NZ-ND1 3.01Å; K590-H592 PolarHBondContact O-N 3.17Å
593	V	92.9	Very high	94.6	Very high	111 Å²	111	40.2 Å²	40.2	67%	0.673	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-35.9	177.7	171.1	0	0	0	0	111.1	R571 D591	R571-V593 HydrophobicContact CB-CG2 4.44Å; R571-V593 HydrophobicContact CG-CB 4.19Å; R571-V593 HydrophobicContact CG-CG2 3.81Å; D591-V593 PolarHBondContact OD1-N 3.31Å
594	Q	90.8	Very high	95.1	Very high	74 Å²	74	38 Å²	38	35%	0.346	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.1	178.8	-56.9	-172	4.4	0	0	113.8	D591 R596	D591-Q594 HydrophobicContact CB-CB 4.45Å; D591-Q594 PolarHBondContact OD1-N 3.46Å; D591-Q594 WeakPolarHBondContact OD2-CB 3.13Å; D591-Q594 VanDerWaalsContact OD2-CG 3.27Å; D591-Q594 WeakPolarHBondContact OD2-CG 3.38Å; Q594-R596 VanDerWaalsContact C-N 3.31Å; Q594-R596 HydrophobicContact CB-CG 4.02Å; Q594-R596 PolarHBondContact O-N 3.42Å; Q594-R596 VanDerWaalsContact OE1-CZ 3.28Å
595	N	92	Very high	95.3	Very high	129 Å²	129	40.4 Å²	40.4	69%	0.69	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	47.2	-176	-169.6	50.6	0	0	0	113.8	D591	D591-N595 WeakPolarHBondContact O-CA 3.28Å; D591-N595 PolarHBondContact O-N 3.14Å
596	R	94	Very high	95.2	Very high	80 Å²	80	41.7 Å²	41.7	30%	0.302	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	164.1	178.5	62.5	167.5	168.4	163	-7.1	112.9	D591 Q594 I598 L638 D652	D591-R596 HydrophobicContact CB-CG 4.48Å; D591-R596 PolarHBondContact N-O 2.85Å; D591-R596 PolarHBondContact O-N 3.1Å; Q594-R596 VanDerWaalsContact C-N 3.31Å; Q594-R596 HydrophobicContact CB-CG 4.02Å; Q594-R596 PolarHBondContact O-N 3.42Å; Q594-R596 VanDerWaalsContact OE1-CZ 3.28Å; R596-I598 HydrophobicContact CG-CG2 4.3Å; R596-L638 VanDerWaalsContact CZ-CD1 3.47Å; R596-L638 VanDerWaalsContact NH1-CD1 3.3Å; R596-D652 IonicContact NH1-OD1 2.71Å; R596-D652 PolarHBondContact NH1-OD1 3.26Å
597	R	95.6	Very high	95.1	Very high	154 Å²	154	44.7 Å²	44.7	58%	0.581	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	140.5	168.7	-62.2	173.1	-168.3	-95.2	-2.3	109.5	E588 C589 I653	E588-R597 WeakPolarHBondContact OE1-CD 3.45Å; E588-R597 IonicContact OE1-CZ 2.73Å; E588-R597 IonicContact OE1-NE 3.66Å; E588-R597 IonicContact OE1-NH1 3.19Å; E588-R597 PolarHBondContact OE1-NH1 2.9Å; C589-R597 CarbonylContact O-C 3.53Å; C589-R597 WeakPolarHBondContact O-CA 3.39Å; R597-I653 HydrophobicContact CB-CG2 3.98Å
598	I	96.6	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	162	175.3	62	157	0	0	0	110.2	Y572 E588 C589 R596 L600 L638 A650 F651	Y572-I598 HydrophobicContact CD1-CD1 3.54Å; Y572-I598 HydrophobicContact CD1-CG1 4.42Å; Y572-I598 HydrophobicContact CE1-CD1 3.47Å; Y572-I598 VanDerWaalsContact CE1-CD1 3.47Å; E588-I598 WeakPolarHBondContact CA-O 3.3Å; C589-I598 HydrophobicContact CB-CD1 4.19Å; C589-I598 HydrophobicContact CB-CG1 3.82Å; C589-I598 PolarHBondContact N-O 3.41Å; C589-I598 PolarHBondContact O-N 3.49Å; R596-I598 HydrophobicContact CG-CG2 4.3Å; I598-L600 HydrophobicContact CD1-CB 4.28Å; I598-L600 HydrophobicContact CD1-CD1 4.21Å; I598-L638 HydrophobicContact CB-CD1 4.34Å; I598-L638 HydrophobicContact CG2-CD1 3.59Å; I598-A650 HydrophobicContact CD1-CB 3.68Å; I598-F651 WeakPolarHBondContact CA-O 3.35Å; I598-F651 WeakPolarHBondContact CB-O 3.47Å
599	A	96.7	Very high	94.5	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.5	159	0	0	0	0	0	109	L578 V586 V587 F651 I653	L578-A599 HydrophobicContact CD1-CB 3.94Å; V586-A599 HydrophobicContact CG1-CB 4.37Å; V587-A599 CarbonylContact O-C 3.5Å; V587-A599 WeakPolarHBondContact O-CA 3.5Å; A599-F651 HydrophobicContact CB-CB 4.48Å; A599-F651 PolarHBondContact N-O 2.95Å; A599-F651 PolarHBondContact O-N 3.05Å; A599-I653 HydrophobicContact CB-CD1 4.06Å
600	L	96.8	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.8	177.9	-170.1	75	0	0	0	109.7	L568 V586 V587 I598 I602 F641 C648 L649 A650	L568-L600 HydrophobicContact CD1-CD2 3.65Å; V586-L600 WeakPolarHBondContact CA-O 3.48Å; V587-L600 HydrophobicContact CG2-CB 3.87Å; V587-L600 HydrophobicContact CG2-CD2 4.45Å; V587-L600 PolarHBondContact N-O 3.38Å; V587-L600 PolarHBondContact O-N 3.15Å; I598-L600 HydrophobicContact CD1-CB 4.28Å; I598-L600 HydrophobicContact CD1-CD1 4.21Å; L600-I602 HydrophobicContact CD2-CD1 4.27Å; L600-I602 HydrophobicContact CD2-CG1 4.01Å; L600-I602 HydrophobicContact CG-CG1 4.16Å; L600-F641 HydrophobicContact CD1-CE1 3.83Å; L600-F641 HydrophobicContact CD1-CZ 3.97Å; L600-F641 HydrophobicContact CD2-CZ 4.1Å; L600-C648 HydrophobicContact CD1-CB 4.27Å; L600-L649 WeakPolarHBondContact CA-O 3.21Å; L600-A650 HydrophobicContact CD1-CB 3.94Å
601	K	96	Very high	94	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	103.1	175.7	-171.3	-175.2	-164.8	-177.8	0	107.9	F583 V586 I603 E616 C648 L649 F651 D735	F583-K601 HydrophobicContact CD2-CG 4.3Å; F583-K601 HydrophobicContact CE2-CD 4.33Å; F583-K601 HydrophobicContact CE2-CG 3.92Å; V586-K601 HydrophobicContact CG2-CB 4.42Å; V586-K601 HydrophobicContact CG2-CG 4.22Å; K601-I603 HydrophobicContact CD-CD1 4.08Å; K601-I603 HydrophobicContact CG-CD1 3.96Å; K601-E616 IonicContact NZ-OE1 3.45Å; K601-E616 PolarHBondContact NZ-OE1 3.4Å; K601-E616 IonicContact NZ-OE2 3.5Å; K601-E616 PolarHBondContact NZ-OE2 3.24Å; K601-C648 WeakPolarHBondContact O-CA 3.38Å; K601-L649 HydrophobicContact CB-CB 4.29Å; K601-L649 PolarHBondContact N-O 3.45Å; K601-L649 PolarHBondContact O-N 2.91Å; K601-F651 HydrophobicContact CB-CD2 4.41Å; K601-F651 HydrophobicContact CB-CE2 3.88Å; K601-F651 HydrophobicContact CD-CE2 4.18Å; K601-D735 IonicContact NZ-OD1 2.96Å; K601-D735 PolarHBondContact NZ-OD1 3.04Å
602	I	96.9	Very high	93.6	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.6	-179.8	-55.2	171.8	0	0	0	107.9	L560 Y562 L568 G584 K585 V587 L600 H646	L560-I602 HydrophobicContact CB-CG2 4.03Å; L560-I602 HydrophobicContact CD2-CD1 4.42Å; L560-I602 HydrophobicContact CD2-CG2 4.09Å; Y562-I602 HydrophobicContact CD1-CD1 4.49Å; Y562-I602 HydrophobicContact CE1-CD1 4.36Å; L568-I602 HydrophobicContact CD1-CD1 3.81Å; L568-I602 HydrophobicContact CD1-CG1 4.46Å; G584-I602 CarbonylContact C-O 3.57Å; G584-I602 WeakPolarHBondContact CA-O 3.3Å; K585-I602 PolarHBondContact N-O 3.37Å; K585-I602 PolarHBondContact O-N 3.18Å; V587-I602 HydrophobicContact CG2-CD1 3.88Å; V587-I602 HydrophobicContact CG2-CG1 4.49Å; L600-I602 HydrophobicContact CD2-CD1 4.27Å; L600-I602 HydrophobicContact CD2-CG1 4.01Å; L600-I602 HydrophobicContact CG-CG1 4.16Å; I602-H646 HydrophobicContact CG2-CB 4.1Å
603	I	96.2	Very high	93.6	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	143.7	-176.2	-56.9	-70.4	0	0	0	110.3	F583 K601 Y609 A613 H646 I647 L649	F583-I603 HydrophobicContact CB-CD1 4.28Å; F583-I603 HydrophobicContact CD2-CD1 3.97Å; F583-I603 HydrophobicContact CG-CD1 4.47Å; F583-I603 WeakPolarHBondContact O-CA 3.27Å; K601-I603 HydrophobicContact CD-CD1 4.08Å; K601-I603 HydrophobicContact CG-CD1 3.96Å; I603-Y609 WeakPolarHBondContact CG2-O 3.3Å; I603-A613 HydrophobicContact CB-CB 4.38Å; I603-A613 HydrophobicContact CD1-CB 4.12Å; I603-A613 HydrophobicContact CG1-CB 3.72Å; I603-A613 HydrophobicContact CG2-CB 4.11Å; I603-H646 WeakPolarHBondContact O-CB 3.33Å; I603-H646 PolarHBondContact O-ND1 3.48Å; I603-I647 HydrophobicContact CB-CB 4.23Å; I603-I647 WeakPolarHBondContact CB-O 3.39Å; I603-I647 HydrophobicContact CG1-CB 4.36Å; I603-I647 WeakPolarHBondContact CG1-O 3.29Å; I603-I647 PolarHBondContact N-O 2.87Å; I603-L649 HydrophobicContact CD1-CD1 4.5Å; I603-L649 HydrophobicContact CG1-CD1 3.93Å
604	K	95.4	Very high	93.6	Very high	14 Å²	14	50.5 Å²	50.5	6%	0.061	24%	0.241	C	C	.	.			trans	-56.4	142.7	175.3	-75.3	170.8	172.6	-67.9	0	112.4	D557 G558 H559 F583 V606 Y609	D557-K604 VanDerWaalsContact CB-NZ 3.32Å; D557-K604 PolarHBondContact O-NZ 2.92Å; G558-K604 CarbonylContact O-C 3.49Å; G558-K604 WeakPolarHBondContact O-CA 3.47Å; G558-K604 VanDerWaalsContact O-CB 3.3Å; G558-K604 WeakPolarHBondContact O-CB 3.44Å; H559-K604 PolarHBondContact CD2-NZ 3.43Å; H559-K604 VanDerWaalsContact CE1-CE 3.43Å; H559-K604 WeakPolarHBondContact CE1-CE 3.35Å; H559-K604 PolarHBondContact CE1-NZ 3.13Å; H559-K604 WeakPolarHBondContact NE2-CE 3.17Å; H559-K604 PolarHBondContact NE2-NZ 2.94Å; F583-K604 PolarHBondContact O-N 3.34Å; K604-V606 HydrophobicContact CB-CG2 4.31Å; K604-V606 PolarHBondContact O-N 2.94Å; K604-Y609 HydrophobicContact CB-CD2 3.75Å; K604-Y609 HydrophobicContact CB-CE2 4.46Å; K604-Y609 HydrophobicContact CB-CG 4.47Å; K604-Y609 HydrophobicContact CD-CD2 3.67Å; K604-Y609 HydrophobicContact CD-CE2 3.54Å; K604-Y609 HydrophobicContact CG-CD2 4.35Å
605	N	94.7	Very high	93.5	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	25%	0.253	S	S	.	.	S	Bend	trans	-76.7	56.7	175	-163.2	12.9	0	0	0	111.8	D554 G558 H644 G645 H646	D554-N605 WeakPolarHBondContact OD2-CB 3.36Å; D554-N605 PolarHBondContact OD2-ND2 2.87Å; G558-N605 PolarHBondContact O-N 3.04Å; N605-H644 PolarHBondContact ND2-O 3.31Å; N605-G645 WeakPolarHBondContact OD1-CA 3.32Å; N605-H646 PolarHBondContact N-ND1 3.01Å
606	V	93.4	Very high	93.6	Very high	51 Å²	51	46.6 Å²	46.6	31%	0.309	22%	0.221	S	C	.	.	S	Bend	trans	-136.3	122.7	177.9	-168.6	0	0	0	0	107.3	K604 K608 Y609 R610	K604-V606 HydrophobicContact CB-CG2 4.31Å; K604-V606 PolarHBondContact O-N 2.94Å; V606-K608 VanDerWaalsContact C-N 3.27Å; V606-K608 HydrophobicContact CG1-CD 4.48Å; V606-K608 HydrophobicContact CG1-CG 4.04Å; V606-K608 PolarHBondContact O-N 2.87Å; V606-Y609 HydrophobicContact CB-CD2 4.04Å; V606-Y609 PolarHBondContact O-N 3.42Å; V606-R610 PolarHBondContact O-N 2.98Å
607	D	91.7	Very high	93.6	Very high	97 Å²	97	42.9 Å²	42.9	52%	0.519	21%	0.207	S	C	.	.	H	α-helix	trans	-52.3	-40	-163.2	-63.2	-49.7	0	0	0	114.4	Y609 R610 E611	D607-Y609 PolarHBondContact O-N 3.49Å; D607-Y609 VanDerWaalsContact O-N 3.13Å; D607-R610 CarbonylContact O-C 3.6Å; D607-R610 PolarHBondContact O-N 3.07Å; D607-R610 IonicContact OD1-CZ 3.42Å; D607-R610 IonicContact OD1-NH1 3.31Å; D607-R610 PolarHBondContact OD1-NH1 3.34Å; D607-E611 WeakPolarHBondContact O-CB 3.48Å; D607-E611 WeakPolarHBondContact O-CG 3.41Å; D607-E611 PolarHBondContact O-N 3.13Å
608	K	89	Confident	93.5	Very high	87 Å²	87	38.4 Å²	38.4	38%	0.378	20%	0.195	S	C	.	.	H	α-helix	trans	-51.9	-35.9	173.7	63.3	173.7	176	158.2	0	114.6	M441 V606 A612	M441-K608 HydrophobicContact CE-CB 3.7Å; M441-K608 WeakPolarHBondContact CE-O 3.37Å; M441-K608 HydrophobicContact SD-CB 3.71Å; V606-K608 VanDerWaalsContact C-N 3.27Å; V606-K608 HydrophobicContact CG1-CD 4.48Å; V606-K608 HydrophobicContact CG1-CG 4.04Å; V606-K608 PolarHBondContact O-N 2.87Å; K608-A612 PolarHBondContact O-N 3.03Å
609	Y	91.2	Very high	93.3	Very high	38 Å²	38	38.8 Å²	38.8	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-85.9	-34.3	178.8	-63.2	-53.5	0	0	0	111.1	T582 F583 I603 K604 V606 D607 A612 A613	T582-Y609 VanDerWaalsContact O-CE1 3.29Å; T582-Y609 WeakPolarHBondContact O-CE1 3.31Å; T582-Y609 WeakPolarHBondContact O-CE2 3.16Å; T582-Y609 PolarHBondContact O-OH 2.82Å; F583-Y609 HydrophobicContact CB-CD1 4.5Å; I603-Y609 WeakPolarHBondContact CG2-O 3.3Å; K604-Y609 HydrophobicContact CB-CD2 3.75Å; K604-Y609 HydrophobicContact CB-CE2 4.46Å; K604-Y609 HydrophobicContact CB-CG 4.47Å; K604-Y609 HydrophobicContact CD-CD2 3.67Å; K604-Y609 HydrophobicContact CD-CE2 3.54Å; K604-Y609 HydrophobicContact CG-CD2 4.35Å; V606-Y609 HydrophobicContact CB-CD2 4.04Å; V606-Y609 PolarHBondContact O-N 3.42Å; D607-Y609 PolarHBondContact O-N 3.49Å; D607-Y609 VanDerWaalsContact O-N 3.13Å; Y609-A612 PolarHBondContact O-N 3.11Å; Y609-A613 WeakPolarHBondContact O-CB 3.41Å; Y609-A613 PolarHBondContact O-N 3.46Å
610	R	93.7	Very high	93.2	Very high	60 Å²	60	38.1 Å²	38.1	23%	0.226	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-45.4	173.9	-55.7	171.9	71.3	-144.6	8.1	110.8	V606 D607 A613 M614 D642 G645 I647	V606-R610 PolarHBondContact O-N 2.98Å; D607-R610 CarbonylContact O-C 3.6Å; D607-R610 PolarHBondContact O-N 3.07Å; D607-R610 IonicContact OD1-CZ 3.42Å; D607-R610 IonicContact OD1-NH1 3.31Å; D607-R610 PolarHBondContact OD1-NH1 3.34Å; R610-A613 PolarHBondContact O-N 3.15Å; R610-M614 WeakPolarHBondContact O-CG 3.49Å; R610-M614 PolarHBondContact O-N 3.04Å; R610-D642 IonicContact NH2-OD1 3.29Å; R610-D642 IonicContact NH2-OD2 2.85Å; R610-D642 PolarHBondContact NH2-OD2 2.83Å; R610-G645 WeakPolarHBondContact CD-O 3.49Å; R610-G645 PolarHBondContact NE-O 3.34Å; R610-I647 HydrophobicContact CB-CG1 3.94Å; R610-I647 HydrophobicContact CG-CG1 4.22Å
611	E	89.7	Confident	93	Very high	125 Å²	125	39.8 Å²	39.8	58%	0.584	20%	0.201	S	C	*	.	H	α-helix	trans	-59.1	-48.7	173.5	-73.3	179.3	160	0	0	112.2	D607 A613 M614 L615	D607-E611 WeakPolarHBondContact O-CB 3.48Å; D607-E611 WeakPolarHBondContact O-CG 3.41Å; D607-E611 PolarHBondContact O-N 3.13Å; E611-A613 VanDerWaalsContact C-N 3.31Å; E611-A613 PolarHBondContact O-N 2.82Å; E611-M614 PolarHBondContact O-N 3.19Å; E611-M614 VanDerWaalsContact O-N 3.16Å; E611-L615 PolarHBondContact O-N 2.71Å
612	A	88.9	Confident	92.8	Very high	29 Å²	29	40.8 Å²	40.8	24%	0.24	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-39.8	177	0	0	0	0	0	112.1	K608 Y609 L615 E616	K608-A612 PolarHBondContact O-N 3.03Å; Y609-A612 PolarHBondContact O-N 3.11Å; A612-L615 PolarHBondContact O-N 2.85Å; A612-E616 PolarHBondContact O-N 2.96Å
613	A	93.3	Very high	92.6	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-36.9	174.4	0	0	0	0	0	112.6	I603 Y609 R610 E611 L615 E616 I617 I647 L649	I603-A613 HydrophobicContact CB-CB 4.38Å; I603-A613 HydrophobicContact CD1-CB 4.12Å; I603-A613 HydrophobicContact CG1-CB 3.72Å; I603-A613 HydrophobicContact CG2-CB 4.11Å; Y609-A613 WeakPolarHBondContact O-CB 3.41Å; Y609-A613 PolarHBondContact O-N 3.46Å; R610-A613 PolarHBondContact O-N 3.15Å; E611-A613 VanDerWaalsContact C-N 3.31Å; E611-A613 PolarHBondContact O-N 2.82Å; A613-L615 VanDerWaalsContact C-N 3.33Å; A613-L615 PolarHBondContact O-N 2.79Å; A613-E616 WeakPolarHBondContact O-CB 3.43Å; A613-E616 PolarHBondContact O-N 3.24Å; A613-I617 WeakPolarHBondContact O-CB 3.41Å; A613-I617 WeakPolarHBondContact O-CD1 3.48Å; A613-I617 VanDerWaalsContact O-CG1 3.23Å; A613-I617 WeakPolarHBondContact O-CG1 3.29Å; A613-I617 PolarHBondContact O-N 2.59Å; A613-I647 HydrophobicContact CB-CB 4.07Å; A613-I647 HydrophobicContact CB-CG2 3.9Å; A613-L649 HydrophobicContact CB-CD1 4.33Å
614	M	92.9	Very high	92.3	Very high	35 Å²	35	42.5 Å²	42.5	17%	0.172	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-32.9	173.5	-67.6	-51.7	-56.3	0	0	112.5	I520 R610 E611 I617 N618 W640 I647	I520-M614 HydrophobicContact CB-CE 4.43Å; I520-M614 HydrophobicContact CD1-CE 3.61Å; I520-M614 HydrophobicContact CG1-CE 3.8Å; I520-M614 HydrophobicContact CG2-CE 3.72Å; R610-M614 WeakPolarHBondContact O-CG 3.49Å; R610-M614 PolarHBondContact O-N 3.04Å; E611-M614 PolarHBondContact O-N 3.19Å; E611-M614 VanDerWaalsContact O-N 3.16Å; M614-I617 HydrophobicContact SD-CD1 3.94Å; M614-N618 VanDerWaalsContact O-CG 3.23Å; M614-N618 PolarHBondContact O-N 3.36Å; M614-N618 VanDerWaalsContact O-N 3.1Å; M614-N618 PolarHBondContact O-ND2 2.89Å; M614-N618 VanDerWaalsContact O-ND2 3.08Å; M614-W640 HydrophobicContact CE-CH2 4.12Å; M614-W640 HydrophobicContact CE-CZ3 4.29Å; M614-W640 HydrophobicContact SD-CZ3 4.34Å; M614-I647 HydrophobicContact SD-CD1 4.18Å; M614-I647 HydrophobicContact SD-CG2 4.29Å
615	L	89.5	Confident	92	Very high	114 Å²	114	48.3 Å²	48.3	60%	0.597	24%	0.242	S	C	*	.	H	α-helix	trans	-67	-45.2	170.3	-65.8	175.4	0	0	0	111.5	E611 A612 A613 I617 N618 V619	E611-L615 PolarHBondContact O-N 2.71Å; A612-L615 PolarHBondContact O-N 2.85Å; A613-L615 VanDerWaalsContact C-N 3.33Å; A613-L615 PolarHBondContact O-N 2.79Å; L615-I617 VanDerWaalsContact C-N 3.33Å; L615-I617 PolarHBondContact O-N 3.36Å; L615-N618 WeakPolarHBondContact O-CB 3.23Å; L615-N618 PolarHBondContact O-N 2.89Å; L615-N618 VanDerWaalsContact O-N 3.14Å; L615-V619 PolarHBondContact O-N 3.48Å; L615-V619 VanDerWaalsContact O-N 3.1Å
616	E	93.1	Very high	91.6	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-57.9	-43.8	174.7	-169.4	176.9	-171.7	0	0	111.6	K601 A612 A613 N618 V619 L620 L649 F736	K601-E616 IonicContact NZ-OE1 3.45Å; K601-E616 PolarHBondContact NZ-OE1 3.4Å; K601-E616 IonicContact NZ-OE2 3.5Å; K601-E616 PolarHBondContact NZ-OE2 3.24Å; A612-E616 PolarHBondContact O-N 2.96Å; A613-E616 WeakPolarHBondContact O-CB 3.43Å; A613-E616 PolarHBondContact O-N 3.24Å; E616-N618 PolarHBondContact O-N 2.87Å; E616-V619 PolarHBondContact O-N 2.66Å; E616-L620 HydrophobicContact CG-CD1 3.79Å; E616-L620 HydrophobicContact CG-CG 4.41Å; E616-L620 WeakPolarHBondContact O-CB 3.48Å; E616-L620 VanDerWaalsContact O-CG 3.29Å; E616-L620 WeakPolarHBondContact O-CG 3.17Å; E616-L620 PolarHBondContact O-N 3.33Å; E616-L649 HydrophobicContact CG-CD2 4.37Å; E616-F736 HydrophobicContact CG-CB 4.44Å
617	I	94.1	Very high	91.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-41.5	174.9	-73.4	164.6	0	0	0	111.3	A613 M614 L615 L620 N621 W640 I647 L649	A613-I617 WeakPolarHBondContact O-CB 3.41Å; A613-I617 WeakPolarHBondContact O-CD1 3.48Å; A613-I617 VanDerWaalsContact O-CG1 3.23Å; A613-I617 WeakPolarHBondContact O-CG1 3.29Å; A613-I617 PolarHBondContact O-N 2.59Å; M614-I617 HydrophobicContact SD-CD1 3.94Å; L615-I617 VanDerWaalsContact C-N 3.33Å; L615-I617 PolarHBondContact O-N 3.36Å; I617-L620 PolarHBondContact O-N 2.96Å; I617-N621 VanDerWaalsContact CG2-ND2 3.31Å; I617-N621 WeakPolarHBondContact CG2-ND2 3.32Å; I617-N621 WeakPolarHBondContact O-CB 3.36Å; I617-N621 PolarHBondContact O-N 3.17Å; I617-N621 PolarHBondContact O-ND2 3.05Å; I617-W640 HydrophobicContact CD1-CB 4.06Å; I617-W640 HydrophobicContact CD1-CD2 3.88Å; I617-W640 HydrophobicContact CD1-CE3 3.9Å; I617-W640 HydrophobicContact CD1-CG 3.94Å; I617-W640 HydrophobicContact CG1-CB 4.38Å; I617-W640 HydrophobicContact CG1-CG 4.29Å; I617-W640 HydrophobicContact CG2-CD2 4.13Å; I617-W640 HydrophobicContact CG2-CG 4.06Å; I617-I647 HydrophobicContact CD1-CG2 3.53Å; I617-L649 HydrophobicContact CD1-CD1 4.23Å; I617-L649 HydrophobicContact CD1-CD2 4.4Å; I617-L649 HydrophobicContact CD1-CG 4.07Å; I617-L649 HydrophobicContact CG1-CD1 4.44Å; I617-L649 HydrophobicContact CG1-CD2 3.73Å; I617-L649 HydrophobicContact CG1-CG 3.89Å
618	N	92.9	Very high	90.5	Very high	61 Å²	61	43.2 Å²	43.2	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-44	177.5	-69.8	-34.7	0	0	0	111.7	M614 L615 E616 F622	M614-N618 VanDerWaalsContact O-CG 3.23Å; M614-N618 PolarHBondContact O-N 3.36Å; M614-N618 VanDerWaalsContact O-N 3.1Å; M614-N618 PolarHBondContact O-ND2 2.89Å; M614-N618 VanDerWaalsContact O-ND2 3.08Å; L615-N618 WeakPolarHBondContact O-CB 3.23Å; L615-N618 PolarHBondContact O-N 2.89Å; L615-N618 VanDerWaalsContact O-N 3.14Å; E616-N618 PolarHBondContact O-N 2.87Å; N618-F622 PolarHBondContact O-N 2.81Å; N618-F622 VanDerWaalsContact O-N 3.14Å
619	V	93.4	Very high	89.7	Confident	8 Å²	8	40.5 Å²	40.5	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-47.2	176.1	176.7	0	0	0	0	111	L615 E616 N621 F622 L623 L694 F736 A739 F741	L615-V619 PolarHBondContact O-N 3.48Å; L615-V619 VanDerWaalsContact O-N 3.1Å; E616-V619 PolarHBondContact O-N 2.66Å; V619-N621 VanDerWaalsContact C-N 3.34Å; V619-N621 PolarHBondContact O-N 3.26Å; V619-F622 WeakPolarHBondContact O-CB 3.44Å; V619-F622 PolarHBondContact O-N 2.97Å; V619-F622 VanDerWaalsContact O-N 3.15Å; V619-L623 HydrophobicContact CG1-CD1 3.95Å; V619-L623 HydrophobicContact CG1-CG 4.29Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.41Å; V619-L694 HydrophobicContact CG1-CD1 4.39Å; V619-L694 HydrophobicContact CG1-CD2 3.72Å; V619-F736 HydrophobicContact CB-CB 4.48Å; V619-F736 HydrophobicContact CG1-CB 3.98Å; V619-F736 HydrophobicContact CG1-CD1 4.2Å; V619-F736 HydrophobicContact CG1-CG 4.34Å; V619-A739 HydrophobicContact CG1-CB 4.18Å; V619-A739 HydrophobicContact CG2-CB 4.49Å; V619-F741 HydrophobicContact CG2-CE2 4.08Å
620	L	93.9	Very high	89	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-37.6	179.8	-75.5	166.6	0	0	0	113.1	E616 I617 L623 N624 V635 L637 L649 F651 F736	E616-L620 HydrophobicContact CG-CD1 3.79Å; E616-L620 HydrophobicContact CG-CG 4.41Å; E616-L620 WeakPolarHBondContact O-CB 3.48Å; E616-L620 VanDerWaalsContact O-CG 3.29Å; E616-L620 WeakPolarHBondContact O-CG 3.17Å; E616-L620 PolarHBondContact O-N 3.33Å; I617-L620 PolarHBondContact O-N 2.96Å; L620-L623 PolarHBondContact O-N 2.74Å; L620-N624 WeakPolarHBondContact O-CB 3.23Å; L620-N624 PolarHBondContact O-N 3.18Å; L620-V635 HydrophobicContact CD2-CG1 4.1Å; L620-L637 HydrophobicContact CB-CB 3.82Å; L620-L637 HydrophobicContact CB-CD2 3.71Å; L620-L637 HydrophobicContact CB-CG 4.36Å; L620-L637 HydrophobicContact CD1-CB 4.17Å; L620-L637 HydrophobicContact CD1-CD1 4.27Å; L620-L637 HydrophobicContact CD1-CD2 4.17Å; L620-L637 HydrophobicContact CD1-CG 4.44Å; L620-L637 HydrophobicContact CD2-CB 4.41Å; L620-L637 HydrophobicContact CG-CB 4.37Å; L620-L649 HydrophobicContact CD1-CD2 3.92Å; L620-F651 HydrophobicContact CD1-CE1 3.64Å; L620-F651 HydrophobicContact CD1-CZ 3.75Å; L620-F651 HydrophobicContact CD2-CE1 4.16Å; L620-F736 HydrophobicContact CD2-CD2 3.75Å; L620-F736 HydrophobicContact CD2-CE2 4.33Å; L620-F736 HydrophobicContact CD2-CG 4.48Å
621	N	93.2	Very high	88.3	Confident	35 Å²	35	45 Å²	45	19%	0.187	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-45	172.6	-76.4	-67	0	0	0	111.4	I617 V619 L623 N624 E625	I617-N621 VanDerWaalsContact CG2-ND2 3.31Å; I617-N621 WeakPolarHBondContact CG2-ND2 3.32Å; I617-N621 WeakPolarHBondContact O-CB 3.36Å; I617-N621 PolarHBondContact O-N 3.17Å; I617-N621 PolarHBondContact O-ND2 3.05Å; V619-N621 VanDerWaalsContact C-N 3.34Å; V619-N621 PolarHBondContact O-N 3.26Å; N621-L623 VanDerWaalsContact C-N 3.26Å; N621-L623 PolarHBondContact O-N 3.29Å; N621-N624 PolarHBondContact O-N 2.94Å; N621-E625 WeakPolarHBondContact O-CG 3.39Å; N621-E625 PolarHBondContact O-N 2.76Å
622	F	91.9	Very high	88.2	Confident	35 Å²	35	39 Å²	39	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-36.2	175.3	169.3	-80.6	0	0	0	113	N618 V619 R626 N692 F741	N618-F622 PolarHBondContact O-N 2.81Å; N618-F622 VanDerWaalsContact O-N 3.14Å; V619-F622 WeakPolarHBondContact O-CB 3.44Å; V619-F622 PolarHBondContact O-N 2.97Å; V619-F622 VanDerWaalsContact O-N 3.15Å; F622-R626 VanDerWaalsContact CE2-NH2 3.28Å; F622-R626 WeakPolarHBondContact O-CD 3.43Å; F622-R626 PolarHBondContact O-NH1 2.8Å; F622-N692 HydrophobicContact CE1-CB 4.04Å; F622-N692 HydrophobicContact CZ-CB 4.06Å; F622-F741 HydrophobicContact CB-CZ 4.39Å; F622-F741 HydrophobicContact CD1-CE1 4.09Å; F622-F741 AromaticContact CD1-CZ 3.94Å; F622-F741 HydrophobicContact CD1-CZ 3.94Å; F622-F741 HydrophobicContact CD2-CE1 4.16Å; F622-F741 AromaticContact CD2-CZ 3.94Å; F622-F741 HydrophobicContact CD2-CZ 3.94Å; F622-F741 AromaticContact CE1-CE1 3.83Å; F622-F741 HydrophobicContact CE1-CE1 3.83Å; F622-F741 HydrophobicContact CE1-CZ 4.17Å; F622-F741 AromaticContact CE2-CE1 3.86Å; F622-F741 HydrophobicContact CE2-CE1 3.86Å; F622-F741 HydrophobicContact CE2-CZ 4.13Å; F622-F741 HydrophobicContact CG-CE1 4.27Å; F622-F741 AromaticContact CG-CZ 3.84Å; F622-F741 HydrophobicContact CG-CZ 3.84Å; F622-F741 AromaticContact CZ-CE1 3.71Å; F622-F741 HydrophobicContact CZ-CE1 3.71Å; F622-F741 HydrophobicContact CZ-CZ 4.26Å
623	L	91.8	Very high	88.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-72	-44.5	175.8	-66.7	173.9	0	0	0	111.8	V619 L620 N621 E625 R626 S627 A628 F688 L689 L694 F736	V619-L623 HydrophobicContact CG1-CD1 3.95Å; V619-L623 HydrophobicContact CG1-CG 4.29Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.41Å; L620-L623 PolarHBondContact O-N 2.74Å; N621-L623 VanDerWaalsContact C-N 3.26Å; N621-L623 PolarHBondContact O-N 3.29Å; L623-E625 PolarHBondContact O-N 3.44Å; L623-R626 CarbonylContact O-C 3.56Å; L623-R626 PolarHBondContact O-N 3Å; L623-R626 VanDerWaalsContact O-N 3.16Å; L623-S627 PolarHBondContact O-N 2.59Å; L623-A628 HydrophobicContact CB-CB 4.03Å; L623-A628 HydrophobicContact CD2-CB 4.25Å; L623-A628 VanDerWaalsContact O-CB 3.24Å; L623-A628 WeakPolarHBondContact O-CB 3.47Å; L623-A628 PolarHBondContact O-N 3.31Å; L623-A628 VanDerWaalsContact O-N 3.09Å; L623-F688 HydrophobicContact CD2-CD1 4.37Å; L623-F688 HydrophobicContact CD2-CE1 3.73Å; L623-L689 HydrophobicContact CD2-CD2 3.66Å; L623-L694 HydrophobicContact CD2-CD2 4.25Å; L623-F736 HydrophobicContact CD1-CD1 3.72Å; L623-F736 HydrophobicContact CD1-CD2 4.18Å; L623-F736 HydrophobicContact CD1-CE1 3.59Å; L623-F736 HydrophobicContact CD1-CE2 4.07Å; L623-F736 HydrophobicContact CD1-CG 4.02Å; L623-F736 HydrophobicContact CD1-CZ 3.78Å
624	N	90	Very high	88.5	Confident	42 Å²	42	38.2 Å²	38.2	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-41.5	174.7	-81.6	-6.6	0	0	0	112.3	L620 N621 R626 S627 L637	L620-N624 WeakPolarHBondContact O-CB 3.23Å; L620-N624 PolarHBondContact O-N 3.18Å; N621-N624 PolarHBondContact O-N 2.94Å; N624-R626 PolarHBondContact O-N 3.41Å; N624-R626 VanDerWaalsContact O-N 3.08Å; N624-S627 PolarHBondContact O-N 2.82Å; N624-L637 PolarHBondContact ND2-O 3.08Å
625	E	89.3	Confident	88.6	Confident	136 Å²	136	37 Å²	37	64%	0.636	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.1	175.5	-79.2	174.4	-177.3	0	0	113.5	N621 L623	N621-E625 WeakPolarHBondContact O-CG 3.39Å; N621-E625 PolarHBondContact O-N 2.76Å; L623-E625 PolarHBondContact O-N 3.44Å
626	R	87.9	Confident	88.6	Confident	37 Å²	37	32.7 Å²	32.7	14%	0.14	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	14.8	-179.5	-68	159.6	-179.8	63.1	9.3	112.8	F622 L623 N624 A628 F688 N692 Y900	F622-R626 VanDerWaalsContact CE2-NH2 3.28Å; F622-R626 WeakPolarHBondContact O-CD 3.43Å; F622-R626 PolarHBondContact O-NH1 2.8Å; L623-R626 CarbonylContact O-C 3.56Å; L623-R626 PolarHBondContact O-N 3Å; L623-R626 VanDerWaalsContact O-N 3.16Å; N624-R626 PolarHBondContact O-N 3.41Å; N624-R626 VanDerWaalsContact O-N 3.08Å; R626-A628 PolarHBondContact O-N 3.29Å; R626-F688 HydrophobicContact CB-CE2 4.43Å; R626-F688 HydrophobicContact CB-CZ 3.77Å; R626-N692 WeakPolarHBondContact CD-OD1 3.45Å; R626-N692 PolarHBondContact NE-OD1 3.2Å; R626-Y900 HydrophobicContact CB-CD2 3.9Å; R626-Y900 HydrophobicContact CB-CE2 3.86Å; R626-Y900 HydrophobicContact CB-CG 4.44Å; R626-Y900 HydrophobicContact CG-CD1 4.27Å; R626-Y900 HydrophobicContact CG-CD2 4.1Å; R626-Y900 HydrophobicContact CG-CE1 4.11Å; R626-Y900 HydrophobicContact CG-CE2 3.94Å; R626-Y900 HydrophobicContact CG-CG 4.27Å
627	S	82.7	Confident	88.6	Confident	54 Å²	54	32.7 Å²	32.7	38%	0.378	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.6	-179.1	-57	0	0	0	0	114.6	L623 N624 N629 V630 E631	L623-S627 PolarHBondContact O-N 2.59Å; N624-S627 PolarHBondContact O-N 2.82Å; S627-N629 PolarHBondContact O-N 3.02Å; S627-V630 PolarHBondContact O-N 2.65Å; S627-E631 PolarHBondContact O-N 3.17Å
628	A	77.3	Confident	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-20.4	-173.9	0	0	0	0	0	114.1	L623 R626 H632 L633 C634 F688	L623-A628 HydrophobicContact CB-CB 4.03Å; L623-A628 HydrophobicContact CD2-CB 4.25Å; L623-A628 VanDerWaalsContact O-CB 3.24Å; L623-A628 WeakPolarHBondContact O-CB 3.47Å; L623-A628 PolarHBondContact O-N 3.31Å; L623-A628 VanDerWaalsContact O-N 3.09Å; R626-A628 PolarHBondContact O-N 3.29Å; A628-H632 HydrophobicContact CB-CB 4.3Å; A628-H632 CarbonylContact O-C 3.39Å; A628-H632 VanDerWaalsContact O-CA 3.27Å; A628-H632 WeakPolarHBondContact O-CA 3.46Å; A628-H632 WeakPolarHBondContact O-CB 3.48Å; A628-H632 PolarHBondContact O-N 2.76Å; A628-H632 VanDerWaalsContact O-N 3.11Å; A628-L633 PolarHBondContact O-N 2.74Å; A628-L633 VanDerWaalsContact O-N 3.07Å; A628-C634 HydrophobicContact CB-CB 4.22Å; A628-C634 PolarHBondContact O-N 2.97Å; A628-F688 HydrophobicContact CB-CD1 3.95Å; A628-F688 HydrophobicContact CB-CE1 3.31Å; A628-F688 HydrophobicContact CB-CZ 3.76Å
629	N	74.2	Confident	88.6	Confident	31 Å²	31	33.1 Å²	33.1	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-73.7	-29.4	175.1	67.1	-49.2	0	0	0	113.5	S627 C634 T636	S627-N629 PolarHBondContact O-N 3.02Å; N629-C634 VanDerWaalsContact CA-O 3.29Å; N629-C634 WeakPolarHBondContact CA-O 3.47Å; N629-T636 HydrophobicContact CB-CG2 4.2Å; N629-T636 WeakPolarHBondContact CB-OG1 3.44Å; N629-T636 WeakPolarHBondContact ND2-CG2 3.31Å; N629-T636 PolarHBondContact ND2-OG1 3.26Å
630	V	74.7	Confident	88.7	Confident	104 Å²	104	33.2 Å²	33.2	63%	0.63	17%	0.174	S	C	*	.	H	α-helix	trans	-91.1	-55.7	177.2	-174.8	0	0	0	0	110.2	S627	S627-V630 PolarHBondContact O-N 2.65Å
631	E	79.7	Confident	88.9	Confident	87 Å²	87	33.7 Å²	33.7	41%	0.407	18%	0.176	S	C	.	.	H	α-helix	trans	-86.7	-23.4	-170.5	-68.8	-172.2	-133.4	0	0	114.2	S627 Y684 T898	S627-E631 PolarHBondContact O-N 3.17Å; E631-Y684 WeakPolarHBondContact O-CE1 3.21Å; E631-Y684 PolarHBondContact O-OH 3.12Å; E631-T898 WeakPolarHBondContact OE2-CB 3.35Å; E631-T898 PolarHBondContact OE2-OG1 3.4Å
632	H	88.6	Confident	89	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-130.8	18.4	-166.8	-53.5	-55.3	0	0	0	115	A628 C634 A685 F688 T898	A628-H632 HydrophobicContact CB-CB 4.3Å; A628-H632 CarbonylContact O-C 3.39Å; A628-H632 VanDerWaalsContact O-CA 3.27Å; A628-H632 WeakPolarHBondContact O-CA 3.46Å; A628-H632 WeakPolarHBondContact O-CB 3.48Å; A628-H632 PolarHBondContact O-N 2.76Å; A628-H632 VanDerWaalsContact O-N 3.11Å; H632-C634 PolarHBondContact O-N 2.87Å; H632-C634 VanDerWaalsContact O-N 3.1Å; H632-A685 WeakPolarHBondContact O-CA 3.33Å; H632-A685 VanDerWaalsContact O-CB 3.31Å; H632-A685 WeakPolarHBondContact O-CB 3.48Å; H632-F688 HydrophobicContact CB-CB 3.71Å; H632-F688 HydrophobicContact CB-CD1 3.85Å; H632-F688 HydrophobicContact CB-CD2 4.05Å; H632-F688 HydrophobicContact CB-CG 3.57Å; H632-F688 AromaticContact CD2-CD2 3.02Å; H632-F688 WeakPolarHBondContact CD2-CD2 3.29Å; H632-F688 AromaticContact CD2-CE2 3.15Å; H632-F688 WeakPolarHBondContact CD2-CE2 3.46Å; H632-F688 AromaticContact CD2-CG 3.52Å; H632-F688 AromaticContact CD2-CZ 3.79Å; H632-F688 AromaticContact CE1-CD2 3.85Å; H632-F688 AromaticContact CG-CD2 3.37Å; H632-F688 AromaticContact CG-CE2 3.97Å; H632-F688 AromaticContact CG-CG 3.43Å; H632-F688 VanDerWaalsContact CG-CG 3.43Å; H632-F688 AromaticContact ND1-CD2 3.86Å; H632-F688 AromaticContact NE2-CD2 3.34Å; H632-F688 VanDerWaalsContact NE2-CD2 3.34Å; H632-F688 WeakPolarHBondContact NE2-CD2 3.26Å; H632-F688 AromaticContact NE2-CE2 3.49Å; H632-F688 WeakPolarHBondContact NE2-CE2 3.37Å; H632-T898 PolarHBondContact CE1-O 3Å
633	L	93.9	Very high	89.2	Confident	13 Å²	13	34.4 Å²	34.4	7%	0.068	18%	0.179	C	C	.	.			trans	58.3	21.5	170	-38.5	176.2	0	0	0	116	A628 Q681 Y684 A685 R732 L733 L895	A628-L633 PolarHBondContact O-N 2.74Å; A628-L633 VanDerWaalsContact O-N 3.07Å; L633-Q681 HydrophobicContact CD1-CB 3.57Å; L633-Q681 HydrophobicContact CD1-CG 3.69Å; L633-Y684 HydrophobicContact CD1-CD1 3.99Å; L633-Y684 HydrophobicContact CG-CD1 4.13Å; L633-Y684 HydrophobicContact CG-CE1 4.31Å; L633-A685 HydrophobicContact CB-CB 4.19Å; L633-R732 VanDerWaalsContact C-CD 3.4Å; L633-R732 VanDerWaalsContact O-CA 3.3Å; L633-R732 WeakPolarHBondContact O-CA 3.25Å; L633-R732 WeakPolarHBondContact O-CD 3.49Å; L633-L733 PolarHBondContact O-N 2.63Å; L633-L895 HydrophobicContact CD1-CD1 3.79Å; L633-L895 HydrophobicContact CD2-CD1 4.34Å; L633-L895 HydrophobicContact CG-CD1 4.38Å
634	C	94.6	Very high	89.3	Confident	1 Å²	1	40 Å²	40	1%	0.007	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-76.3	162.2	168.4	-62.5	0	0	0	0	110.7	A628 N629 H632 R732 F736	A628-C634 HydrophobicContact CB-CB 4.22Å; A628-C634 PolarHBondContact O-N 2.97Å; N629-C634 VanDerWaalsContact CA-O 3.29Å; N629-C634 WeakPolarHBondContact CA-O 3.47Å; H632-C634 PolarHBondContact O-N 2.87Å; H632-C634 VanDerWaalsContact O-N 3.1Å; C634-R732 WeakPolarHBondContact O-CD 3.38Å; C634-F736 HydrophobicContact CB-CE2 4.37Å; C634-F736 HydrophobicContact CB-CZ 4Å
635	V	93.5	Very high	89.4	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.048	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-73.8	139.2	171.3	71.9	0	0	0	0	111.5	L620 F651 L654 L733 I734 F736	L620-V635 HydrophobicContact CD2-CG1 4.1Å; V635-F651 HydrophobicContact CB-CD1 4.42Å; V635-F651 HydrophobicContact CG1-CD1 3.8Å; V635-F651 HydrophobicContact CG1-CE1 3.84Å; V635-F651 HydrophobicContact CG2-CB 4.1Å; V635-F651 HydrophobicContact CG2-CD1 3.75Å; V635-F651 HydrophobicContact CG2-CG 4.29Å; V635-L654 HydrophobicContact CG2-CD1 4.21Å; V635-L733 PolarHBondContact N-O 2.88Å; V635-I734 HydrophobicContact CB-CG2 4.12Å; V635-I734 HydrophobicContact CG1-CG2 4.42Å; V635-I734 HydrophobicContact CG2-CG2 4.47Å; V635-F736 HydrophobicContact CG1-CE2 4.24Å
636	T	89.5	Confident	89.8	Confident	24 Å²	24	32 Å²	32	15%	0.147	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-75	123.3	172.1	-33.3	0	0	0	0	110.4	N629 L638 F651 D652	N629-T636 HydrophobicContact CB-CG2 4.2Å; N629-T636 WeakPolarHBondContact CB-OG1 3.44Å; N629-T636 WeakPolarHBondContact ND2-CG2 3.31Å; N629-T636 PolarHBondContact ND2-OG1 3.26Å; T636-L638 HydrophobicContact CG2-CD2 3.71Å; T636-L638 PolarHBondContact O-N 3.24Å; T636-F651 WeakPolarHBondContact O-CA 3.03Å; T636-F651 WeakPolarHBondContact O-CD1 3.43Å; T636-D652 WeakPolarHBondContact CB-OD2 3.5Å; T636-D652 PolarHBondContact OG1-OD2 3.5Å
637	L	94.2	Very high	90.2	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.3	158.2	178.6	67	0	0	0	108.1	L620 N624 D639 L649 F651	L620-L637 HydrophobicContact CB-CB 3.82Å; L620-L637 HydrophobicContact CB-CD2 3.71Å; L620-L637 HydrophobicContact CB-CG 4.36Å; L620-L637 HydrophobicContact CD1-CB 4.17Å; L620-L637 HydrophobicContact CD1-CD1 4.27Å; L620-L637 HydrophobicContact CD1-CD2 4.17Å; L620-L637 HydrophobicContact CD1-CG 4.44Å; L620-L637 HydrophobicContact CD2-CB 4.41Å; L620-L637 HydrophobicContact CG-CB 4.37Å; N624-L637 PolarHBondContact ND2-O 3.08Å; L637-D639 WeakPolarHBondContact CD1-O 3.21Å; L637-L649 HydrophobicContact CD1-CB 3.85Å; L637-L649 HydrophobicContact CD1-CD2 4.28Å; L637-L649 HydrophobicContact CD1-CG 4.28Å; L637-F651 HydrophobicContact CB-CE1 4.37Å; L637-F651 HydrophobicContact CD1-CE1 4.06Å; L637-F651 HydrophobicContact CD1-CZ 4.19Å
638	L	93	Very high	90.9	Very high	40 Å²	40	27.8 Å²	27.8	21%	0.209	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-41.1	-174.8	-56.4	178.8	0	0	0	112.5	R596 I598 T636 A650 F651	R596-L638 VanDerWaalsContact CZ-CD1 3.47Å; R596-L638 VanDerWaalsContact NH1-CD1 3.3Å; I598-L638 HydrophobicContact CB-CD1 4.34Å; I598-L638 HydrophobicContact CG2-CD1 3.59Å; T636-L638 HydrophobicContact CG2-CD2 3.71Å; T636-L638 PolarHBondContact O-N 3.24Å; L638-A650 HydrophobicContact CB-CB 4.22Å; L638-A650 WeakPolarHBondContact CB-O 3.47Å; L638-A650 PolarHBondContact N-O 3.27Å; L638-F651 WeakPolarHBondContact CD1-O 3.28Å
639	D	93.9	Very high	91.8	Very high	31 Å²	31	27.8 Å²	27.8	17%	0.166	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	159.4	-175	-155.2	-1.2	0	0	0	109.1	R571 Y572 L637 A650	R571-D639 IonicContact CZ-OD2 3.51Å; R571-D639 IonicContact NH1-OD2 2.96Å; R571-D639 PolarHBondContact NH1-OD2 2.91Å; R571-D639 IonicContact NH2-OD2 2.66Å; R571-D639 PolarHBondContact NH2-OD2 3Å; Y572-D639 WeakPolarHBondContact OH-CB 3.4Å; Y572-D639 PolarHBondContact OH-OD2 2.99Å; L637-D639 WeakPolarHBondContact CD1-O 3.21Å; D639-A650 HydrophobicContact CB-CB 4.03Å; D639-A650 PolarHBondContact O-N 3.49Å
640	W	96.1	Very high	92.9	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147.4	169.5	75	-92	0	0	0	111.1	I520 R523 K524 M614 I617 C648	I520-W640 HydrophobicContact CG2-CH2 4.11Å; R523-W640 HydrophobicContact CG-CZ2 4.49Å; K524-W640 HydrophobicContact CG-CH2 4.49Å; M614-W640 HydrophobicContact CE-CH2 4.12Å; M614-W640 HydrophobicContact CE-CZ3 4.29Å; M614-W640 HydrophobicContact SD-CZ3 4.34Å; I617-W640 HydrophobicContact CD1-CB 4.06Å; I617-W640 HydrophobicContact CD1-CD2 3.88Å; I617-W640 HydrophobicContact CD1-CE3 3.9Å; I617-W640 HydrophobicContact CD1-CG 3.94Å; I617-W640 HydrophobicContact CG1-CB 4.38Å; I617-W640 HydrophobicContact CG1-CG 4.29Å; I617-W640 HydrophobicContact CG2-CD2 4.13Å; I617-W640 HydrophobicContact CG2-CG 4.06Å; W640-C648 CarbonylContact C-O 3.55Å; W640-C648 WeakPolarHBondContact CA-O 3.35Å; W640-C648 WeakPolarHBondContact CB-O 3.42Å
641	F	96.3	Very high	93.9	Very high	9 Å²	9	22.5 Å²	22.5	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	169.6	-178.3	54	-83.8	0	0	0	111.6	L569 Y572 L600 C648	L569-F641 HydrophobicContact CD1-CB 4.15Å; L569-F641 HydrophobicContact CD1-CD1 4.37Å; L569-F641 HydrophobicContact CD1-CD2 3.44Å; L569-F641 VanDerWaalsContact CD1-CD2 3.44Å; L569-F641 HydrophobicContact CD1-CE2 3.8Å; L569-F641 HydrophobicContact CD1-CG 3.76Å; L569-F641 HydrophobicContact CD1-CZ 4.42Å; L569-F641 HydrophobicContact CG-CD2 4.18Å; L569-F641 HydrophobicContact CG-CE2 4.18Å; Y572-F641 AromaticContact CD2-CE1 3.75Å; Y572-F641 HydrophobicContact CD2-CE1 3.75Å; Y572-F641 AromaticContact CD2-CZ 3.68Å; Y572-F641 HydrophobicContact CD2-CZ 3.68Å; Y572-F641 HydrophobicContact CE2-CD1 4.06Å; Y572-F641 AromaticContact CE2-CE1 3.29Å; Y572-F641 HydrophobicContact CE2-CE1 3.29Å; Y572-F641 AromaticContact CE2-CZ 3.74Å; Y572-F641 HydrophobicContact CE2-CZ 3.74Å; L600-F641 HydrophobicContact CD1-CE1 3.83Å; L600-F641 HydrophobicContact CD1-CZ 3.97Å; L600-F641 HydrophobicContact CD2-CZ 4.1Å; F641-C648 HydrophobicContact CD1-CB 4.08Å; F641-C648 HydrophobicContact CD2-CB 3.72Å; F641-C648 HydrophobicContact CE1-CB 3.78Å; F641-C648 HydrophobicContact CE2-CB 3.42Å; F641-C648 VanDerWaalsContact CE2-CB 3.42Å; F641-C648 HydrophobicContact CG-CB 4.06Å; F641-C648 HydrophobicContact CZ-CB 3.46Å; F641-C648 VanDerWaalsContact CZ-CB 3.46Å; F641-C648 PolarHBondContact N-O 2.83Å; F641-C648 PolarHBondContact O-N 3.15Å
642	D	96.4	Very high	94.5	Very high	47 Å²	47	20.9 Å²	20.9	25%	0.251	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114	174	-167.9	-22.4	0	0	0	106.8	K524 R610 G645 H646 I647	K524-D642 IonicContact NZ-OD2 3.57Å; K524-D642 PolarHBondContact NZ-OD2 2.81Å; R610-D642 IonicContact NH2-OD1 3.29Å; R610-D642 IonicContact NH2-OD2 2.85Å; R610-D642 PolarHBondContact NH2-OD2 2.83Å; D642-G645 VanDerWaalsContact OD1-C 3.28Å; D642-G645 WeakPolarHBondContact OD1-CA 3.4Å; D642-G645 PolarHBondContact OD1-N 3.42Å; D642-G645 VanDerWaalsContact OD1-N 3.15Å; D642-H646 WeakPolarHBondContact CA-O 3.16Å; D642-I647 HydrophobicContact CB-CD1 4.02Å; D642-I647 WeakPolarHBondContact OD2-CD1 3.4Å
643	Y	95.5	Very high	94.7	Very high	38 Å²	38	23.7 Å²	23.7	15%	0.149	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	101.2	-175.2	-178.9	-100.6	0	0	0	108.8	V552 L560 L568 L569 G645 H646	V552-Y643 HydrophobicContact CG1-CE1 4.06Å; L560-Y643 HydrophobicContact CD1-CE1 4.15Å; L560-Y643 HydrophobicContact CD2-CD1 4.05Å; L560-Y643 HydrophobicContact CD2-CE1 3.98Å; L568-Y643 HydrophobicContact CD2-CD1 4.15Å; L568-Y643 HydrophobicContact CD2-CE1 3.62Å; L568-Y643 HydrophobicContact CD2-CE2 4.47Å; L569-Y643 HydrophobicContact CD2-CD2 3.85Å; L569-Y643 HydrophobicContact CD2-CE2 4.29Å; L569-Y643 HydrophobicContact CG-CD2 4.12Å; Y643-G645 PolarHBondContact O-N 3.31Å; Y643-H646 PolarHBondContact N-O 2.94Å; Y643-H646 VanDerWaalsContact O-CB 3.32Å; Y643-H646 WeakPolarHBondContact O-CB 3.36Å; Y643-H646 PolarHBondContact O-CD2 2.75Å; Y643-H646 PolarHBondContact O-N 2.68Å
644	H	94	Very high	94.7	Very high	120 Å²	120	25 Å²	25	56%	0.556	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	22.2	-178	-57.2	-105.7	0	0	0	114.4	V552 N605	V552-H644 HydrophobicContact CB-CB 4.25Å; V552-H644 HydrophobicContact CG1-CB 4Å; N605-H644 PolarHBondContact ND2-O 3.31Å
645	G	93.1	Very high	94.6	Very high	9 Å²	9	25.8 Å²	25.8	9%	0.093	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.5	-23.6	-175.5	0	0	0	0	0	113.7	N605 R610 D642 Y643 I647	N605-G645 WeakPolarHBondContact OD1-CA 3.32Å; R610-G645 WeakPolarHBondContact CD-O 3.49Å; R610-G645 PolarHBondContact NE-O 3.34Å; D642-G645 VanDerWaalsContact OD1-C 3.28Å; D642-G645 WeakPolarHBondContact OD1-CA 3.4Å; D642-G645 PolarHBondContact OD1-N 3.42Å; D642-G645 VanDerWaalsContact OD1-N 3.15Å; Y643-G645 PolarHBondContact O-N 3.31Å; G645-I647 PolarHBondContact O-N 2.96Å
646	H	96.5	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	113.2	172.6	-60.6	-70.5	0	0	0	111.1	D554 L560 I602 I603 N605 D642 Y643 C648	D554-H646 IonicContact OD1-CE1 2.71Å; D554-H646 IonicContact OD1-NE2 3.13Å; D554-H646 PolarHBondContact OD1-NE2 2.94Å; L560-H646 WeakPolarHBondContact CA-NE2 3.31Å; L560-H646 WeakPolarHBondContact CB-NE2 3.42Å; L560-H646 PolarHBondContact N-CE1 2.94Å; L560-H646 PolarHBondContact N-NE2 2.88Å; I602-H646 HydrophobicContact CG2-CB 4.1Å; I603-H646 WeakPolarHBondContact O-CB 3.33Å; I603-H646 PolarHBondContact O-ND1 3.48Å; N605-H646 PolarHBondContact N-ND1 3.01Å; D642-H646 WeakPolarHBondContact CA-O 3.16Å; Y643-H646 PolarHBondContact N-O 2.94Å; Y643-H646 VanDerWaalsContact O-CB 3.32Å; Y643-H646 WeakPolarHBondContact O-CB 3.36Å; Y643-H646 PolarHBondContact O-CD2 2.75Å; Y643-H646 PolarHBondContact O-N 2.68Å; H646-C648 PolarHBondContact O-N 2.84Å
647	I	97	Very high	95	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	122	167	-52	-56.7	0	0	0	107.8	I603 R610 A613 M614 I617 D642 G645 L649	I603-I647 HydrophobicContact CB-CB 4.23Å; I603-I647 WeakPolarHBondContact CB-O 3.39Å; I603-I647 HydrophobicContact CG1-CB 4.36Å; I603-I647 WeakPolarHBondContact CG1-O 3.29Å; I603-I647 PolarHBondContact N-O 2.87Å; R610-I647 HydrophobicContact CB-CG1 3.94Å; R610-I647 HydrophobicContact CG-CG1 4.22Å; A613-I647 HydrophobicContact CB-CB 4.07Å; A613-I647 HydrophobicContact CB-CG2 3.9Å; M614-I647 HydrophobicContact SD-CD1 4.18Å; M614-I647 HydrophobicContact SD-CG2 4.29Å; I617-I647 HydrophobicContact CD1-CG2 3.53Å; D642-I647 HydrophobicContact CB-CD1 4.02Å; D642-I647 WeakPolarHBondContact OD2-CD1 3.4Å; G645-I647 PolarHBondContact O-N 2.96Å; I647-L649 HydrophobicContact CG2-CD1 3.94Å
648	C	97.3	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126	-177.1	-72	0	0	0	0	109.7	L600 K601 W640 F641 H646	L600-C648 HydrophobicContact CD1-CB 4.27Å; K601-C648 WeakPolarHBondContact O-CA 3.38Å; W640-C648 CarbonylContact C-O 3.55Å; W640-C648 WeakPolarHBondContact CA-O 3.35Å; W640-C648 WeakPolarHBondContact CB-O 3.42Å; F641-C648 HydrophobicContact CD1-CB 4.08Å; F641-C648 HydrophobicContact CD2-CB 3.72Å; F641-C648 HydrophobicContact CE1-CB 3.78Å; F641-C648 HydrophobicContact CE2-CB 3.42Å; F641-C648 VanDerWaalsContact CE2-CB 3.42Å; F641-C648 HydrophobicContact CG-CB 4.06Å; F641-C648 HydrophobicContact CZ-CB 3.46Å; F641-C648 VanDerWaalsContact CZ-CB 3.46Å; F641-C648 PolarHBondContact N-O 2.83Å; F641-C648 PolarHBondContact O-N 3.15Å; H646-C648 PolarHBondContact O-N 2.84Å
649	L	96.8	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.5	179.6	-62.7	77.9	0	0	0	109.6	L600 K601 I603 A613 E616 I617 L620 L637 I647 F651	L600-L649 WeakPolarHBondContact CA-O 3.21Å; K601-L649 HydrophobicContact CB-CB 4.29Å; K601-L649 PolarHBondContact N-O 3.45Å; K601-L649 PolarHBondContact O-N 2.91Å; I603-L649 HydrophobicContact CD1-CD1 4.5Å; I603-L649 HydrophobicContact CG1-CD1 3.93Å; A613-L649 HydrophobicContact CB-CD1 4.33Å; E616-L649 HydrophobicContact CG-CD2 4.37Å; I617-L649 HydrophobicContact CD1-CD1 4.23Å; I617-L649 HydrophobicContact CD1-CD2 4.4Å; I617-L649 HydrophobicContact CD1-CG 4.07Å; I617-L649 HydrophobicContact CG1-CD1 4.44Å; I617-L649 HydrophobicContact CG1-CD2 3.73Å; I617-L649 HydrophobicContact CG1-CG 3.89Å; L620-L649 HydrophobicContact CD1-CD2 3.92Å; L637-L649 HydrophobicContact CD1-CB 3.85Å; L637-L649 HydrophobicContact CD1-CD2 4.28Å; L637-L649 HydrophobicContact CD1-CG 4.28Å; I647-L649 HydrophobicContact CG2-CD1 3.94Å; L649-F651 HydrophobicContact CB-CD2 4.33Å; L649-F651 HydrophobicContact CB-CE2 3.47Å; L649-F651 VanDerWaalsContact CB-CE2 3.47Å; L649-F651 HydrophobicContact CB-CZ 3.79Å; L649-F651 HydrophobicContact CD2-CE2 4.23Å; L649-F651 HydrophobicContact CD2-CZ 3.79Å; L649-F651 HydrophobicContact CG-CZ 4.48Å
650	A	96.2	Very high	95.5	Very high	1 Å²	1	27 Å²	27	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.8	178.4	0	0	0	0	0	111.3	I598 L600 L638 D639	I598-A650 HydrophobicContact CD1-CB 3.68Å; L600-A650 HydrophobicContact CD1-CB 3.94Å; L638-A650 HydrophobicContact CB-CB 4.22Å; L638-A650 WeakPolarHBondContact CB-O 3.47Å; L638-A650 PolarHBondContact N-O 3.27Å; D639-A650 HydrophobicContact CB-CB 4.03Å; D639-A650 PolarHBondContact O-N 3.49Å
651	F	95.5	Very high	95.5	Very high	22 Å²	22	26.6 Å²	26.6	10%	0.096	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.8	-178.1	-60.3	-83.5	0	0	0	111.3	I598 A599 K601 L620 V635 T636 L637 L638 L649	I598-F651 WeakPolarHBondContact CA-O 3.35Å; I598-F651 WeakPolarHBondContact CB-O 3.47Å; A599-F651 HydrophobicContact CB-CB 4.48Å; A599-F651 PolarHBondContact N-O 2.95Å; A599-F651 PolarHBondContact O-N 3.05Å; K601-F651 HydrophobicContact CB-CD2 4.41Å; K601-F651 HydrophobicContact CB-CE2 3.88Å; K601-F651 HydrophobicContact CD-CE2 4.18Å; L620-F651 HydrophobicContact CD1-CE1 3.64Å; L620-F651 HydrophobicContact CD1-CZ 3.75Å; L620-F651 HydrophobicContact CD2-CE1 4.16Å; V635-F651 HydrophobicContact CB-CD1 4.42Å; V635-F651 HydrophobicContact CG1-CD1 3.8Å; V635-F651 HydrophobicContact CG1-CE1 3.84Å; V635-F651 HydrophobicContact CG2-CB 4.1Å; V635-F651 HydrophobicContact CG2-CD1 3.75Å; V635-F651 HydrophobicContact CG2-CG 4.29Å; T636-F651 WeakPolarHBondContact O-CA 3.03Å; T636-F651 WeakPolarHBondContact O-CD1 3.43Å; L637-F651 HydrophobicContact CB-CE1 4.37Å; L637-F651 HydrophobicContact CD1-CE1 4.06Å; L637-F651 HydrophobicContact CD1-CZ 4.19Å; L638-F651 WeakPolarHBondContact CD1-O 3.28Å; L649-F651 HydrophobicContact CB-CD2 4.33Å; L649-F651 HydrophobicContact CB-CE2 3.47Å; L649-F651 VanDerWaalsContact CB-CE2 3.47Å; L649-F651 HydrophobicContact CB-CZ 3.79Å; L649-F651 HydrophobicContact CD2-CE2 4.23Å; L649-F651 HydrophobicContact CD2-CZ 3.79Å; L649-F651 HydrophobicContact CG-CZ 4.48Å
652	D	92.4	Very high	95.5	Very high	53 Å²	53	26.2 Å²	26.2	28%	0.283	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	139.6	168.4	-68.8	-52.9	0	0	0	110.2	R596 T636	R596-D652 IonicContact NH1-OD1 2.71Å; R596-D652 PolarHBondContact NH1-OD1 3.26Å; T636-D652 WeakPolarHBondContact CB-OD2 3.5Å; T636-D652 PolarHBondContact OG1-OD2 3.5Å
653	I	92.8	Very high	95.4	Very high	61 Å²	61	28 Å²	28	31%	0.313	14%	0.142	S	C	.	.			trans	-72.2	131.7	177.5	-170.3	63.2	0	0	0	110.1	L578 E588 R597 A599	L578-I653 HydrophobicContact CD1-CD1 3.63Å; L578-I653 HydrophobicContact CD2-CD1 4.38Å; E588-I653 HydrophobicContact CG-CD1 4.4Å; R597-I653 HydrophobicContact CB-CG2 3.98Å; A599-I653 HydrophobicContact CB-CD1 4.06Å
654	L	93.7	Very high	95.4	Very high	40 Å²	40	30 Å²	30	21%	0.209	15%	0.153	C	C	.	.			trans	-124.5	171.5	-176.1	-67.2	172.7	0	0	0	111	V635 L705 R732 I734	V635-L654 HydrophobicContact CG2-CD1 4.21Å; L654-L705 HydrophobicContact CB-CB 4.23Å; L654-L705 HydrophobicContact CB-CD2 3.94Å; L654-L705 HydrophobicContact CD1-CB 4.09Å; L654-L705 HydrophobicContact CD1-CD2 4.14Å; L654-R732 HydrophobicContact CD1-CB 3.92Å; L654-R732 HydrophobicContact CD1-CG 4.4Å; L654-R732 HydrophobicContact CD2-CB 4.47Å; L654-R732 HydrophobicContact CD2-CG 4.12Å; L654-I734 HydrophobicContact CD1-CG2 4.29Å
655	G	94	Very high	95.4	Very high	17 Å²	17	24.8 Å²	24.8	18%	0.175	13%	0.129	C	C	.	.			trans	-76.4	-171.8	172.5	0	0	0	0	0	113.8	F706 S709	G655-F706 WeakPolarHBondContact CA-O 3.32Å; G655-F706 PolarHBondContact N-O 3.09Å; G655-S709 WeakPolarHBondContact CA-OG 3.49Å
656	L	94.5	Very high	95.4	Very high	57 Å²	57	30.3 Å²	30.3	30%	0.298	16%	0.157	S	C	.	.			trans	-56.1	152.5	174.7	-66.6	174.3	0	0	0	112.6	D660 F661 E664 F706 S709	L656-D660 HydrophobicContact CB-CB 4.48Å; L656-D660 HydrophobicContact CD2-CB 4.37Å; L656-F661 HydrophobicContact CB-CB 4.46Å; L656-F661 HydrophobicContact CD1-CD2 4.43Å; L656-E664 WeakPolarHBondContact CD1-OE1 3.36Å; L656-F706 PolarHBondContact O-N 3.5Å; L656-S709 PolarHBondContact N-OG 3.2Å
657	S	96.5	Very high	95.3	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.063	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-62.6	153.6	165.8	80.3	0	0	0	0	111	F659 D660 F661 E702 I704	S657-F659 PolarHBondContact O-N 2.87Å; S657-D660 PolarHBondContact O-N 3.01Å; S657-D660 VanDerWaalsContact O-N 3.12Å; S657-D660 WeakPolarHBondContact OG-CB 3.14Å; S657-D660 PolarHBondContact OG-N 3.35Å; S657-D660 PolarHBondContact OG-OD2 3.39Å; S657-F661 PolarHBondContact O-N 3.34Å; S657-E702 WeakPolarHBondContact CB-O 3.34Å; S657-I704 CarbonylContact C-O 3.6Å; S657-I704 WeakPolarHBondContact CA-O 3.36Å
658	V	97.7	Very high	95.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-27	176.4	179.5	0	0	0	0	110.8	L662 Y670 P701 I704 F706 I731 L782	V658-L662 VanDerWaalsContact O-CB 3.26Å; V658-L662 WeakPolarHBondContact O-CB 3.13Å; V658-L662 PolarHBondContact O-N 3.27Å; V658-Y670 HydrophobicContact CG1-CE2 3.74Å; V658-Y670 PolarHBondContact O-OH 3.37Å; V658-P701 PolarHBondContact N-O 3.47Å; V658-I704 HydrophobicContact CB-CB 4.44Å; V658-I704 HydrophobicContact CG2-CB 4.03Å; V658-I704 HydrophobicContact CG2-CG2 3.66Å; V658-I704 WeakPolarHBondContact CG2-O 3.33Å; V658-I704 PolarHBondContact N-O 3.4Å; V658-F706 HydrophobicContact CB-CE2 4.33Å; V658-F706 HydrophobicContact CG1-CZ 4.39Å; V658-F706 HydrophobicContact CG2-CD2 4.23Å; V658-F706 HydrophobicContact CG2-CE1 4.22Å; V658-F706 HydrophobicContact CG2-CE2 3.82Å; V658-F706 HydrophobicContact CG2-CZ 3.82Å; V658-I731 HydrophobicContact CG2-CG2 4.24Å; V658-L782 HydrophobicContact CG1-CD2 3.31Å
659	F	96.8	Very high	95	Very high	25 Å²	25	34.4 Å²	34.4	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-50.5	167.4	-178.3	-101.5	0	0	0	113	S657 L662 K663 Y667 P701 E702	S657-F659 PolarHBondContact O-N 2.87Å; F659-L662 WeakPolarHBondContact O-CB 3.32Å; F659-L662 PolarHBondContact O-N 3.03Å; F659-K663 HydrophobicContact CD1-CD 4.37Å; F659-K663 HydrophobicContact CE1-CD 3.91Å; F659-K663 VanDerWaalsContact O-CB 3.27Å; F659-K663 WeakPolarHBondContact O-CB 3.46Å; F659-K663 PolarHBondContact O-N 3.49Å; F659-Y667 HydrophobicContact CE2-CE1 4.15Å; F659-Y667 HydrophobicContact CZ-CE1 4.47Å; F659-Y667 VanDerWaalsContact CZ-OH 3.27Å; F659-Y667 WeakPolarHBondContact CZ-OH 3.14Å; F659-P701 HydrophobicContact CB-CB 4.06Å; F659-P701 PolarHBondContact N-O 3.49Å; F659-E702 HydrophobicContact CB-CB 4.46Å; F659-E702 HydrophobicContact CB-CG 3.82Å; F659-E702 HydrophobicContact CD1-CG 3.96Å; F659-E702 HydrophobicContact CD2-CG 4.45Å; F659-E702 HydrophobicContact CG-CG 3.83Å
660	D	95.8	Very high	95	Very high	46 Å²	46	34.9 Å²	34.9	25%	0.246	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-37.3	-174.6	-73.8	-63.9	0	0	0	112	L656 S657 K663 E664	L656-D660 HydrophobicContact CB-CB 4.48Å; L656-D660 HydrophobicContact CD2-CB 4.37Å; S657-D660 PolarHBondContact O-N 3.01Å; S657-D660 VanDerWaalsContact O-N 3.12Å; S657-D660 WeakPolarHBondContact OG-CB 3.14Å; S657-D660 PolarHBondContact OG-N 3.35Å; S657-D660 PolarHBondContact OG-OD2 3.39Å; D660-K663 WeakPolarHBondContact O-CB 3.22Å; D660-K663 PolarHBondContact O-N 3.08Å; D660-K663 IonicContact OD1-NZ 2.62Å; D660-K663 PolarHBondContact OD1-NZ 2.91Å; D660-E664 WeakPolarHBondContact O-CB 3.49Å; D660-E664 PolarHBondContact O-N 3.16Å
661	F	96.9	Very high	94.9	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-42.7	170.3	-170.3	-77.5	0	0	0	111.8	L656 S657 E664 N665 Y670 F706 S709 Y711 R724 V726	L656-F661 HydrophobicContact CB-CB 4.46Å; L656-F661 HydrophobicContact CD1-CD2 4.43Å; S657-F661 PolarHBondContact O-N 3.34Å; F661-E664 PolarHBondContact O-N 2.96Å; F661-N665 WeakPolarHBondContact O-CB 3.48Å; F661-N665 PolarHBondContact O-N 3.3Å; F661-Y670 AromaticContact CD1-CE1 3.67Å; F661-Y670 HydrophobicContact CD1-CE1 3.67Å; F661-Y670 AromaticContact CD1-CZ 3.97Å; F661-Y670 WeakPolarHBondContact CD1-OH 3.47Å; F661-Y670 HydrophobicContact CE1-CE1 4.07Å; F661-F706 HydrophobicContact CB-CD2 4.33Å; F661-F706 HydrophobicContact CB-CE2 3.84Å; F661-F706 HydrophobicContact CD1-CE2 4.5Å; F661-F706 HydrophobicContact CD2-CE2 4.41Å; F661-F706 AromaticContact CG-CE2 4Å; F661-F706 HydrophobicContact CG-CE2 4Å; F661-S709 WeakPolarHBondContact CE2-O 3.48Å; F661-Y711 HydrophobicContact CE2-CD1 4.46Å; F661-Y711 HydrophobicContact CE2-CG 4.46Å; F661-R724 HydrophobicContact CE1-CB 4.34Å; F661-R724 HydrophobicContact CZ-CB 4.03Å; F661-V726 HydrophobicContact CE1-CB 4.34Å; F661-V726 HydrophobicContact CE2-CB 3.85Å; F661-V726 HydrophobicContact CE2-CG2 4.17Å; F661-V726 HydrophobicContact CZ-CB 3.75Å
662	L	95.9	Very high	94.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-41.5	176.8	174.6	62.1	0	0	0	111.8	V658 F659 N665 N666 Y667 V668 Y670 E781	V658-L662 VanDerWaalsContact O-CB 3.26Å; V658-L662 WeakPolarHBondContact O-CB 3.13Å; V658-L662 PolarHBondContact O-N 3.27Å; F659-L662 WeakPolarHBondContact O-CB 3.32Å; F659-L662 PolarHBondContact O-N 3.03Å; L662-N665 CarbonylContact O-C 3.54Å; L662-N665 PolarHBondContact O-N 2.92Å; L662-N666 PolarHBondContact O-N 3.15Å; L662-Y667 HydrophobicContact CD2-CD1 4.33Å; L662-Y667 HydrophobicContact CG-CD1 4.06Å; L662-Y667 WeakPolarHBondContact O-CA 3.43Å; L662-Y667 PolarHBondContact O-N 2.91Å; L662-V668 VanDerWaalsContact CD1-C 3.41Å; L662-V668 WeakPolarHBondContact CD1-O 3.28Å; L662-Y670 HydrophobicContact CB-CE2 4.04Å; L662-Y670 HydrophobicContact CD1-CE2 4.34Å; L662-Y670 PolarHBondContact N-OH 2.93Å; L662-E781 HydrophobicContact CD2-CG 4.18Å
663	K	94.7	Very high	95	Very high	83 Å²	83	41.9 Å²	41.9	36%	0.361	22%	0.217	S	C	.	.	H	α-helix	trans	-62.7	-49.6	175.1	159.6	-178.6	153.6	-156.5	0	111.9	F659 D660 N665 N666 Y667	F659-K663 HydrophobicContact CD1-CD 4.37Å; F659-K663 HydrophobicContact CE1-CD 3.91Å; F659-K663 VanDerWaalsContact O-CB 3.27Å; F659-K663 WeakPolarHBondContact O-CB 3.46Å; F659-K663 PolarHBondContact O-N 3.49Å; D660-K663 WeakPolarHBondContact O-CB 3.22Å; D660-K663 PolarHBondContact O-N 3.08Å; D660-K663 IonicContact OD1-NZ 2.62Å; D660-K663 PolarHBondContact OD1-NZ 2.91Å; K663-N665 VanDerWaalsContact C-N 3.26Å; K663-N665 PolarHBondContact O-N 2.76Å; K663-N666 PolarHBondContact O-N 3.46Å; K663-Y667 HydrophobicContact CB-CE1 4.36Å; K663-Y667 HydrophobicContact CB-CE2 4.26Å
664	E	94.3	Very high	95.2	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.374	21%	0.206	S	C	.	.	H	α-helix	trans	-63.9	-30.8	173.2	-80	-160.5	-130.2	0	0	112.7	L656 D660 F661 N666 R724	L656-E664 WeakPolarHBondContact CD1-OE1 3.36Å; D660-E664 WeakPolarHBondContact O-CB 3.49Å; D660-E664 PolarHBondContact O-N 3.16Å; F661-E664 PolarHBondContact O-N 2.96Å; E664-N666 PolarHBondContact O-N 2.62Å; E664-N666 PolarHBondContact O-ND2 2.83Å; E664-R724 IonicContact OE2-CZ 3.46Å; E664-R724 VanDerWaalsContact OE2-CZ 3.23Å; E664-R724 IonicContact OE2-NH1 3.36Å; E664-R724 PolarHBondContact OE2-NH1 2.8Å; E664-R724 IonicContact OE2-NH2 2.75Å; E664-R724 PolarHBondContact OE2-NH2 2.91Å
665	N	94.1	Very high	95.4	Very high	11 Å²	11	37.9 Å²	37.9	6%	0.059	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	20.5	170.7	-157.4	20.9	0	0	0	113.2	F661 L662 K663 Y667 V668 R724	F661-N665 WeakPolarHBondContact O-CB 3.48Å; F661-N665 PolarHBondContact O-N 3.3Å; L662-N665 CarbonylContact O-C 3.54Å; L662-N665 PolarHBondContact O-N 2.92Å; K663-N665 VanDerWaalsContact C-N 3.26Å; K663-N665 PolarHBondContact O-N 2.76Å; N665-Y667 VanDerWaalsContact C-N 3.32Å; N665-Y667 PolarHBondContact O-N 2.95Å; N665-V668 WeakPolarHBondContact O-CB 3.33Å; N665-V668 WeakPolarHBondContact O-CG2 3.32Å; N665-V668 PolarHBondContact O-N 3.42Å; N665-R724 HydrophobicContact CB-CB 4.43Å; N665-R724 PolarHBondContact ND2-O 2.88Å; N665-R724 PolarHBondContact OD1-N 2.82Å
666	N	93.8	Very high	95.6	Very high	126 Å²	126	37.6 Å²	37.6	67%	0.674	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	38.6	176.5	-69.2	-94.2	0	0	0	114.3	L662 K663 E664 V668	L662-N666 PolarHBondContact O-N 3.15Å; K663-N666 PolarHBondContact O-N 3.46Å; E664-N666 PolarHBondContact O-N 2.62Å; E664-N666 PolarHBondContact O-ND2 2.83Å; N666-V668 VanDerWaalsContact C-N 3.29Å; N666-V668 PolarHBondContact O-N 2.97Å
667	Y	94.2	Very high	95.7	Very high	58 Å²	58	35.1 Å²	35.1	23%	0.227	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	40.2	-178.4	-69.3	-76.9	0	0	0	113.4	Q422 F659 L662 K663 N665 G785	Q422-Y667 PolarHBondContact NE2-OH 3.47Å; F659-Y667 HydrophobicContact CE2-CE1 4.15Å; F659-Y667 HydrophobicContact CZ-CE1 4.47Å; F659-Y667 VanDerWaalsContact CZ-OH 3.27Å; F659-Y667 WeakPolarHBondContact CZ-OH 3.14Å; L662-Y667 HydrophobicContact CD2-CD1 4.33Å; L662-Y667 HydrophobicContact CG-CD1 4.06Å; L662-Y667 WeakPolarHBondContact O-CA 3.43Å; L662-Y667 PolarHBondContact O-N 2.91Å; K663-Y667 HydrophobicContact CB-CE1 4.36Å; K663-Y667 HydrophobicContact CB-CE2 4.26Å; N665-Y667 VanDerWaalsContact C-N 3.32Å; N665-Y667 PolarHBondContact O-N 2.95Å; Y667-G785 WeakPolarHBondContact CD1-O 3.5Å
668	V	93.4	Very high	95.8	Very high	16 Å²	16	34.7 Å²	34.7	10%	0.097	17%	0.174	C	C	.	.			trans	-91.5	103.6	171.8	179.2	0	0	0	0	109.6	L662 N665 N666 E723	L662-V668 VanDerWaalsContact CD1-C 3.41Å; L662-V668 WeakPolarHBondContact CD1-O 3.28Å; N665-V668 WeakPolarHBondContact O-CB 3.33Å; N665-V668 WeakPolarHBondContact O-CG2 3.32Å; N665-V668 PolarHBondContact O-N 3.42Å; N666-V668 VanDerWaalsContact C-N 3.29Å; N666-V668 PolarHBondContact O-N 2.97Å; V668-E723 WeakPolarHBondContact CG1-OE1 3.45Å
669	G	94.5	Very high	95.8	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-51	142.7	173.8	0	0	0	0	0	112.6	L782	G669-L782 CarbonylContact C-O 3.49Å; G669-L782 VanDerWaalsContact CA-O 3.27Å; G669-L782 WeakPolarHBondContact CA-O 3.37Å
670	Y	96.4	Very high	95.9	Very high	10 Å²	10	34.5 Å²	34.5	4%	0.039	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-65.6	158	-166.6	-69.3	-87.5	0	0	0	113.3	V658 F661 L662 F706 L782	V658-Y670 HydrophobicContact CG1-CE2 3.74Å; V658-Y670 PolarHBondContact O-OH 3.37Å; F661-Y670 AromaticContact CD1-CE1 3.67Å; F661-Y670 HydrophobicContact CD1-CE1 3.67Å; F661-Y670 AromaticContact CD1-CZ 3.97Å; F661-Y670 WeakPolarHBondContact CD1-OH 3.47Å; F661-Y670 HydrophobicContact CE1-CE1 4.07Å; L662-Y670 HydrophobicContact CB-CE2 4.04Å; L662-Y670 HydrophobicContact CD1-CE2 4.34Å; L662-Y670 PolarHBondContact N-OH 2.93Å; Y670-F706 HydrophobicContact CE1-CE2 4.44Å; Y670-F706 AromaticContact CE1-CZ 3.97Å; Y670-F706 HydrophobicContact CE1-CZ 3.97Å; Y670-L782 HydrophobicContact CD2-CB 4.3Å; Y670-L782 HydrophobicContact CD2-CD2 3.96Å; Y670-L782 HydrophobicContact CE2-CD2 3.88Å; Y670-L782 PolarHBondContact N-O 2.92Å
671	P	94.6	Very high	96	Very high	51 Å²	51	32.5 Å²	32.5	33%	0.331	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-57	147.1	167.1	-20.4	31.8	0	0	0	111.4	E673 H674 V675 M725	P671-E673 VanDerWaalsContact C-N 3.26Å; P671-E673 PolarHBondContact O-N 2.86Å; P671-H674 WeakPolarHBondContact O-CA 3.16Å; P671-H674 WeakPolarHBondContact O-CB 3.44Å; P671-H674 PolarHBondContact O-N 3.21Å; P671-V675 PolarHBondContact O-N 3.17Å; P671-M725 HydrophobicContact CG-CG 4.05Å; P671-M725 HydrophobicContact CG-SD 3.76Å
672	M	95.4	Very high	96	Very high	34 Å²	34	32.5 Å²	32.5	17%	0.167	16%	0.161	C	C	.	.	H	α-helix	trans	-55.4	-39.6	-175.9	-174.7	61.8	87.4	0	0	113.3	H674 V675 R676 Y783 D855 T856 L859 F885	M672-H674 VanDerWaalsContact C-N 3.29Å; M672-H674 PolarHBondContact O-N 3.41Å; M672-V675 PolarHBondContact O-N 3Å; M672-R676 WeakPolarHBondContact O-CB 3.27Å; M672-R676 PolarHBondContact O-N 3.18Å; M672-Y783 HydrophobicContact CE-CD2 4.09Å; M672-Y783 HydrophobicContact CE-CE2 3.65Å; M672-D855 HydrophobicContact CE-CB 4.24Å; M672-D855 HydrophobicContact CG-CB 4.04Å; M672-T856 VanDerWaalsContact CE-OG1 3.29Å; M672-T856 WeakPolarHBondContact CE-OG1 3.23Å; M672-L859 HydrophobicContact CE-CB 4.5Å; M672-L859 HydrophobicContact CE-CD2 3.84Å; M672-L859 HydrophobicContact SD-CD2 3.84Å; M672-F885 HydrophobicContact SD-CE2 3.78Å; M672-F885 HydrophobicContact SD-CZ 4.09Å
673	E	94.9	Very high	96.1	Very high	137 Å²	137	32.4 Å²	32.4	64%	0.64	16%	0.161	S	C	*	.	H	α-helix	trans	-56.2	-41.8	175.1	-66.4	166.9	-157.5	0	0	112.1	P671 H677	P671-E673 VanDerWaalsContact C-N 3.26Å; P671-E673 PolarHBondContact O-N 2.86Å; E673-H677 WeakPolarHBondContact O-CB 3.5Å; E673-H677 PolarHBondContact O-N 3.41Å
674	H	96.7	Very high	96.2	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.083	15%	0.145	C	C	.	.	H	α-helix	trans	-76.5	-39.4	178.6	-67.9	-152.1	0	0	0	111.4	P671 M672 R676 H677 I678 V726	P671-H674 WeakPolarHBondContact O-CA 3.16Å; P671-H674 WeakPolarHBondContact O-CB 3.44Å; P671-H674 PolarHBondContact O-N 3.21Å; M672-H674 VanDerWaalsContact C-N 3.29Å; M672-H674 PolarHBondContact O-N 3.41Å; H674-R676 VanDerWaalsContact C-N 3.26Å; H674-R676 PolarHBondContact O-N 3.07Å; H674-H677 PolarHBondContact O-N 2.91Å; H674-I678 HydrophobicContact CB-CD1 4.4Å; H674-I678 VanDerWaalsContact O-CB 3.31Å; H674-I678 WeakPolarHBondContact O-CB 3.17Å; H674-I678 WeakPolarHBondContact O-CD1 3.37Å; H674-I678 WeakPolarHBondContact O-CG1 3.34Å; H674-I678 PolarHBondContact O-N 2.9Å; H674-V726 PolarHBondContact CE1-O 3.41Å; H674-V726 VanDerWaalsContact CE1-O 3.3Å
675	V	97.9	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-47.3	172.4	178.1	0	0	0	0	109.3	P671 M672 S679 L782 L859	P671-V675 PolarHBondContact O-N 3.17Å; M672-V675 PolarHBondContact O-N 3Å; V675-S679 WeakPolarHBondContact O-CB 3.45Å; V675-S679 PolarHBondContact O-N 3.19Å; V675-S679 PolarHBondContact O-OG 3.43Å; V675-L782 HydrophobicContact CG1-CB 4.28Å; V675-L782 HydrophobicContact CG2-CB 4.2Å; V675-L859 HydrophobicContact CG1-CD1 4.16Å; V675-L859 HydrophobicContact CG1-CD2 4.23Å
676	R	97.8	Very high	96.5	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.038	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-52.7	176.7	-171.3	-173.2	-69.8	113.6	3.3	112.2	M672 H674 S679 Y680 D855 F885 F886 L889	M672-R676 WeakPolarHBondContact O-CB 3.27Å; M672-R676 PolarHBondContact O-N 3.18Å; H674-R676 VanDerWaalsContact C-N 3.26Å; H674-R676 PolarHBondContact O-N 3.07Å; R676-S679 PolarHBondContact O-N 2.69Å; R676-Y680 WeakPolarHBondContact O-CB 3.39Å; R676-Y680 PolarHBondContact O-N 3.08Å; R676-D855 IonicContact CZ-OD2 3.5Å; R676-D855 IonicContact NH1-OD2 3.69Å; R676-D855 IonicContact NH2-OD1 3.57Å; R676-D855 PolarHBondContact NH2-OD1 3.12Å; R676-D855 IonicContact NH2-OD2 3.29Å; R676-D855 PolarHBondContact NH2-OD2 2.68Å; R676-F885 HydrophobicContact CB-CE1 3.96Å; R676-F885 HydrophobicContact CB-CE2 4.21Å; R676-F885 HydrophobicContact CB-CZ 3.6Å; R676-F885 WeakPolarHBondContact CD-O 3.39Å; R676-F885 HydrophobicContact CG-CD1 4.36Å; R676-F885 HydrophobicContact CG-CE1 3.95Å; R676-F885 HydrophobicContact CG-CE2 4.34Å; R676-F885 HydrophobicContact CG-CZ 3.94Å; R676-F885 PolarHBondContact NE-O 2.89Å; R676-F886 HydrophobicContact CG-CD1 3.93Å; R676-F886 HydrophobicContact CG-CE1 4.46Å; R676-L889 HydrophobicContact CB-CD2 4.36Å; R676-L889 HydrophobicContact CG-CD2 3.68Å; R676-L889 HydrophobicContact CG-CG 3.83Å
677	H	97.7	Very high	96.7	Very high	6 Å²	6	21 Å²	21	3%	0.028	10%	0.102	C	C	.	.	H	α-helix	trans	-69.2	-39.4	-173.7	-170.3	-134.5	0	0	0	113.6	E673 H674 Q681 S729 D730 L889	E673-H677 WeakPolarHBondContact O-CB 3.5Å; E673-H677 PolarHBondContact O-N 3.41Å; H674-H677 PolarHBondContact O-N 2.91Å; H677-Q681 PolarHBondContact CE1-NE2 3Å; H677-Q681 VanDerWaalsContact CE1-NE2 3.26Å; H677-Q681 PolarHBondContact ND1-NE2 3.21Å; H677-Q681 WeakPolarHBondContact O-CG 3.27Å; H677-Q681 PolarHBondContact O-N 3.39Å; H677-Q681 VanDerWaalsContact O-N 3.16Å; H677-Q681 PolarHBondContact O-NE2 3.38Å; H677-S729 PolarHBondContact ND1-OG 2.86Å; H677-D730 IonicContact CE1-OD1 3.04Å; H677-D730 PolarHBondContact CE1-OD1 3.31Å; H677-L889 HydrophobicContact CB-CD2 4.14Å
678	I	98.2	Very high	96.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-45.9	174.4	-64.3	166.7	0	0	0	110	H674 Y680 Q681 L682 F706 I731 L782	H674-I678 HydrophobicContact CB-CD1 4.4Å; H674-I678 VanDerWaalsContact O-CB 3.31Å; H674-I678 WeakPolarHBondContact O-CB 3.17Å; H674-I678 WeakPolarHBondContact O-CD1 3.37Å; H674-I678 WeakPolarHBondContact O-CG1 3.34Å; H674-I678 PolarHBondContact O-N 2.9Å; I678-Y680 VanDerWaalsContact C-N 3.34Å; I678-Y680 PolarHBondContact O-N 2.73Å; I678-Q681 PolarHBondContact O-N 2.85Å; I678-L682 WeakPolarHBondContact O-CB 3.21Å; I678-L682 PolarHBondContact O-N 3.31Å; I678-F706 HydrophobicContact CD1-CE1 3.78Å; I678-F706 HydrophobicContact CD1-CZ 3.86Å; I678-F706 HydrophobicContact CG1-CE1 4.22Å; I678-I731 HydrophobicContact CG1-CG2 4.34Å; I678-I731 HydrophobicContact CG2-CD1 4.31Å; I678-I731 HydrophobicContact CG2-CG2 4.34Å; I678-L782 HydrophobicContact CB-CD1 4.09Å; I678-L782 HydrophobicContact CG2-CD1 3.65Å
679	S	98.5	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.6	-36.9	-179	-52.6	0	0	0	0	112.5	V675 R676 L682 C683 M779	V675-S679 WeakPolarHBondContact O-CB 3.45Å; V675-S679 PolarHBondContact O-N 3.19Å; V675-S679 PolarHBondContact O-OG 3.43Å; R676-S679 PolarHBondContact O-N 2.69Å; S679-L682 PolarHBondContact O-N 2.71Å; S679-C683 WeakPolarHBondContact O-CB 3.34Å; S679-C683 PolarHBondContact O-N 2.86Å; S679-C683 PolarHBondContact O-SG 3.37Å; S679-M779 WeakPolarHBondContact OG-CG 3.36Å
680	Y	98.1	Very high	96.9	Very high	20 Å²	20	17.9 Å²	17.9	8%	0.078	9%	0.085	C	C	.	.	H	α-helix	trans	-64.9	-51	176.7	174.6	-104.8	0	0	0	111.8	R676 I678 L682 C683 Y684 L881 F886 L889 L895	R676-Y680 WeakPolarHBondContact O-CB 3.39Å; R676-Y680 PolarHBondContact O-N 3.08Å; I678-Y680 VanDerWaalsContact C-N 3.34Å; I678-Y680 PolarHBondContact O-N 2.73Å; Y680-L682 VanDerWaalsContact C-N 3.27Å; Y680-L682 PolarHBondContact O-N 2.62Å; Y680-C683 PolarHBondContact O-N 3.39Å; Y680-Y684 VanDerWaalsContact O-CB 3.27Å; Y680-Y684 WeakPolarHBondContact O-CB 3.36Å; Y680-Y684 PolarHBondContact O-N 3.25Å; Y680-L881 HydrophobicContact CD2-CD2 3.64Å; Y680-L881 HydrophobicContact CE2-CD2 3.66Å; Y680-L881 HydrophobicContact CG-CD2 4.47Å; Y680-F886 HydrophobicContact CD2-CB 4.03Å; Y680-F886 HydrophobicContact CD2-CD1 4.09Å; Y680-F886 HydrophobicContact CD2-CD2 4.08Å; Y680-F886 AromaticContact CD2-CG 3.83Å; Y680-F886 HydrophobicContact CD2-CG 3.83Å; Y680-F886 HydrophobicContact CG-CD1 4.36Å; Y680-L889 HydrophobicContact CD1-CD1 3.49Å; Y680-L889 VanDerWaalsContact CD1-CD1 3.49Å; Y680-L889 HydrophobicContact CD2-CD1 3.62Å; Y680-L889 HydrophobicContact CE1-CD1 3.98Å; Y680-L889 HydrophobicContact CE2-CD1 4.09Å; Y680-L889 HydrophobicContact CG-CD1 3.28Å; Y680-L895 HydrophobicContact CE1-CB 4.21Å; Y680-L895 HydrophobicContact CE1-CD1 4.38Å; Y680-L895 HydrophobicContact CE1-CG 4.13Å; Y680-L895 PolarHBondContact OH-N 2.98Å; Y680-L895 PolarHBondContact OH-O 3.32Å
681	Q	97.6	Very high	96.8	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-39	175.3	-75.6	174.2	85.8	0	0	112.1	L633 H677 I678 Y684 A685 S729 D730 I731 L895	L633-Q681 HydrophobicContact CD1-CB 3.57Å; L633-Q681 HydrophobicContact CD1-CG 3.69Å; H677-Q681 PolarHBondContact CE1-NE2 3Å; H677-Q681 VanDerWaalsContact CE1-NE2 3.26Å; H677-Q681 PolarHBondContact ND1-NE2 3.21Å; H677-Q681 WeakPolarHBondContact O-CG 3.27Å; H677-Q681 PolarHBondContact O-N 3.39Å; H677-Q681 VanDerWaalsContact O-N 3.16Å; H677-Q681 PolarHBondContact O-NE2 3.38Å; I678-Q681 PolarHBondContact O-N 2.85Å; Q681-Y684 PolarHBondContact O-N 2.83Å; Q681-A685 WeakPolarHBondContact O-CB 3.44Å; Q681-A685 PolarHBondContact O-N 2.83Å; Q681-S729 PolarHBondContact NE2-O 3.36Å; Q681-D730 VanDerWaalsContact OE1-CA 3.31Å; Q681-I731 HydrophobicContact CB-CD1 3.72Å; Q681-I731 HydrophobicContact CB-CG1 3.56Å; Q681-I731 HydrophobicContact CG-CG1 4.3Å; Q681-L895 HydrophobicContact CG-CD1 4.35Å
682	L	98.2	Very high	96.8	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-46.2	176.1	-178.4	63	0	0	0	111.7	I678 S679 Y680 Y684 A685 V686 I704 I731 L733 I775 I778	I678-L682 WeakPolarHBondContact O-CB 3.21Å; I678-L682 PolarHBondContact O-N 3.31Å; S679-L682 PolarHBondContact O-N 2.71Å; Y680-L682 VanDerWaalsContact C-N 3.27Å; Y680-L682 PolarHBondContact O-N 2.62Å; L682-Y684 VanDerWaalsContact C-N 3.27Å; L682-Y684 PolarHBondContact O-N 3.41Å; L682-A685 PolarHBondContact O-N 3.41Å; L682-V686 HydrophobicContact CD1-CG2 3.97Å; L682-V686 WeakPolarHBondContact O-CB 3.27Å; L682-V686 VanDerWaalsContact O-CG2 3.28Å; L682-V686 WeakPolarHBondContact O-CG2 3.49Å; L682-V686 PolarHBondContact O-N 3.03Å; L682-I704 HydrophobicContact CD1-CD1 3.7Å; L682-I704 HydrophobicContact CD1-CG1 4.08Å; L682-I704 HydrophobicContact CD2-CD1 3.64Å; L682-I704 HydrophobicContact CG-CD1 4.25Å; L682-I731 HydrophobicContact CB-CD1 4.24Å; L682-L733 HydrophobicContact CD1-CD1 4.4Å; L682-I775 HydrophobicContact CD2-CB 4.46Å; L682-I775 HydrophobicContact CD2-CG1 3.89Å; L682-I775 HydrophobicContact CD2-CG2 4.19Å; L682-I775 HydrophobicContact CG-CD1 4.36Å; L682-I775 HydrophobicContact CG-CG1 4.04Å; L682-I778 HydrophobicContact CD2-CD1 4.15Å; L682-I778 HydrophobicContact CD2-CG2 4.03Å
683	C	98	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-37.5	174.1	-67.3	0	0	0	0	111.9	S679 Y680 R687 L877 L881	S679-C683 WeakPolarHBondContact O-CB 3.34Å; S679-C683 PolarHBondContact O-N 2.86Å; S679-C683 PolarHBondContact O-SG 3.37Å; Y680-C683 PolarHBondContact O-N 3.39Å; C683-R687 WeakPolarHBondContact O-CB 3.29Å; C683-R687 PolarHBondContact O-N 3.39Å; C683-L877 HydrophobicContact CB-CD2 4.3Å; C683-L881 HydrophobicContact CB-CD2 3.71Å; C683-L881 HydrophobicContact CB-CG 4.1Å
684	Y	96.2	Very high	96.8	Very high	8 Å²	8	15.7 Å²	15.7	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-46.9	-180	178.3	-86.1	0	0	0	111.8	E631 L633 Y680 Q681 L682 F688 L895 T896 Y897	E631-Y684 WeakPolarHBondContact O-CE1 3.21Å; E631-Y684 PolarHBondContact O-OH 3.12Å; L633-Y684 HydrophobicContact CD1-CD1 3.99Å; L633-Y684 HydrophobicContact CG-CD1 4.13Å; L633-Y684 HydrophobicContact CG-CE1 4.31Å; Y680-Y684 VanDerWaalsContact O-CB 3.27Å; Y680-Y684 WeakPolarHBondContact O-CB 3.36Å; Y680-Y684 PolarHBondContact O-N 3.25Å; Q681-Y684 PolarHBondContact O-N 2.83Å; L682-Y684 VanDerWaalsContact C-N 3.27Å; L682-Y684 PolarHBondContact O-N 3.41Å; Y684-F688 PolarHBondContact O-N 3.19Å; Y684-L895 HydrophobicContact CD1-CD1 3.71Å; Y684-L895 HydrophobicContact CD2-CB 3.81Å; Y684-L895 HydrophobicContact CD2-CD1 4.21Å; Y684-L895 HydrophobicContact CE1-CB 4.23Å; Y684-L895 HydrophobicContact CE1-CD1 3.77Å; Y684-L895 HydrophobicContact CE2-CB 3.39Å; Y684-L895 HydrophobicContact CE2-CD1 4.27Å; Y684-L895 HydrophobicContact CE2-CG 4.48Å; Y684-L895 HydrophobicContact CG-CB 4.41Å; Y684-L895 HydrophobicContact CG-CD1 3.96Å; Y684-T896 PolarHBondContact OH-O 2.69Å; Y684-Y897 AromaticContact CD2-CD2 3.81Å; Y684-Y897 HydrophobicContact CD2-CD2 3.81Å; Y684-Y897 AromaticContact CE2-CD2 3.6Å; Y684-Y897 HydrophobicContact CE2-CD2 3.6Å; Y684-Y897 HydrophobicContact CE2-CG 4.19Å; Y684-Y897 HydrophobicContact CG-CD2 4.5Å
685	A	96.9	Very high	96.9	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-48.7	177.4	0	0	0	0	0	112.3	H632 L633 Q681 L682 R687 F688 L733	H632-A685 WeakPolarHBondContact O-CA 3.33Å; H632-A685 VanDerWaalsContact O-CB 3.31Å; H632-A685 WeakPolarHBondContact O-CB 3.48Å; L633-A685 HydrophobicContact CB-CB 4.19Å; Q681-A685 WeakPolarHBondContact O-CB 3.44Å; Q681-A685 PolarHBondContact O-N 2.83Å; L682-A685 PolarHBondContact O-N 3.41Å; A685-R687 VanDerWaalsContact C-N 3.32Å; A685-R687 PolarHBondContact O-N 3.36Å; A685-F688 WeakPolarHBondContact O-CB 3.27Å; A685-F688 PolarHBondContact O-N 3.36Å; A685-L733 HydrophobicContact CB-CB 4.47Å; A685-L733 HydrophobicContact CB-CD2 4.3Å
686	V	97.8	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.1	-32.4	-178.5	178.2	0	0	0	0	111.2	L682 F688 L689 H690 L699 L733 D771 I775 L877	L682-V686 HydrophobicContact CD1-CG2 3.97Å; L682-V686 WeakPolarHBondContact O-CB 3.27Å; L682-V686 VanDerWaalsContact O-CG2 3.28Å; L682-V686 WeakPolarHBondContact O-CG2 3.49Å; L682-V686 PolarHBondContact O-N 3.03Å; V686-F688 VanDerWaalsContact C-N 3.28Å; V686-F688 PolarHBondContact O-N 2.95Å; V686-L689 WeakPolarHBondContact O-CB 3.33Å; V686-L689 PolarHBondContact O-N 3.41Å; V686-L689 VanDerWaalsContact O-N 3.12Å; V686-H690 WeakPolarHBondContact CG1-NE2 3Å; V686-H690 PolarHBondContact O-CD2 2.81Å; V686-H690 PolarHBondContact O-N 3.43Å; V686-L699 HydrophobicContact CG1-CD1 4.01Å; V686-L699 HydrophobicContact CG2-CD1 3.73Å; V686-L699 HydrophobicContact CG2-CD2 3.91Å; V686-L699 HydrophobicContact CG2-CG 4.5Å; V686-L733 HydrophobicContact CG2-CD2 3.82Å; V686-D771 HydrophobicContact CG1-CB 3.91Å; V686-I775 HydrophobicContact CB-CD1 4.14Å; V686-I775 HydrophobicContact CG1-CD1 4.16Å; V686-I775 HydrophobicContact CG2-CD1 4.24Å; V686-L877 HydrophobicContact CB-CD1 3.73Å; V686-L877 HydrophobicContact CG1-CD1 3.57Å
687	R	96.8	Very high	96.9	Very high	49 Å²	49	14.4 Å²	14.4	19%	0.185	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-41.3	171.7	-179.6	-176.4	166.2	-173.9	-7.3	111.8	C683 A685 L689 H690 D691 L877 L881 Y897	C683-R687 WeakPolarHBondContact O-CB 3.29Å; C683-R687 PolarHBondContact O-N 3.39Å; A685-R687 VanDerWaalsContact C-N 3.32Å; A685-R687 PolarHBondContact O-N 3.36Å; R687-L689 PolarHBondContact O-N 2.85Å; R687-H690 PolarHBondContact O-N 2.66Å; R687-H690 VanDerWaalsContact O-N 3.12Å; R687-D691 IonicContact CZ-OD2 3.77Å; R687-D691 IonicContact NE-OD1 3.66Å; R687-D691 IonicContact NE-OD2 2.83Å; R687-D691 PolarHBondContact NE-OD2 3.12Å; R687-D691 IonicContact NH2-OD2 2.78Å; R687-D691 PolarHBondContact NH2-OD2 2.84Å; R687-D691 WeakPolarHBondContact O-CB 3.48Å; R687-D691 PolarHBondContact O-N 2.89Å; R687-L877 HydrophobicContact CB-CB 3.87Å; R687-L877 HydrophobicContact CB-CD1 4.29Å; R687-L877 HydrophobicContact CG-CB 4.31Å; R687-L881 HydrophobicContact CB-CD1 4.33Å; R687-Y897 HydrophobicContact CB-CE2 4.33Å; R687-Y897 HydrophobicContact CG-CE2 4.07Å; R687-Y897 VanDerWaalsContact NH2-CE1 3.3Å
688	F	95.1	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-35.8	178.1	169.2	-95	0	0	0	112.1	L623 R626 A628 H632 Y684 A685 V686 N692	L623-F688 HydrophobicContact CD2-CD1 4.37Å; L623-F688 HydrophobicContact CD2-CE1 3.73Å; R626-F688 HydrophobicContact CB-CE2 4.43Å; R626-F688 HydrophobicContact CB-CZ 3.77Å; A628-F688 HydrophobicContact CB-CD1 3.95Å; A628-F688 HydrophobicContact CB-CE1 3.31Å; A628-F688 HydrophobicContact CB-CZ 3.76Å; H632-F688 HydrophobicContact CB-CB 3.71Å; H632-F688 HydrophobicContact CB-CD1 3.85Å; H632-F688 HydrophobicContact CB-CD2 4.05Å; H632-F688 HydrophobicContact CB-CG 3.57Å; H632-F688 AromaticContact CD2-CD2 3.02Å; H632-F688 WeakPolarHBondContact CD2-CD2 3.29Å; H632-F688 AromaticContact CD2-CE2 3.15Å; H632-F688 WeakPolarHBondContact CD2-CE2 3.46Å; H632-F688 AromaticContact CD2-CG 3.52Å; H632-F688 AromaticContact CD2-CZ 3.79Å; H632-F688 AromaticContact CE1-CD2 3.85Å; H632-F688 AromaticContact CG-CD2 3.37Å; H632-F688 AromaticContact CG-CE2 3.97Å; H632-F688 AromaticContact CG-CG 3.43Å; H632-F688 VanDerWaalsContact CG-CG 3.43Å; H632-F688 AromaticContact ND1-CD2 3.86Å; H632-F688 AromaticContact NE2-CD2 3.34Å; H632-F688 VanDerWaalsContact NE2-CD2 3.34Å; H632-F688 WeakPolarHBondContact NE2-CD2 3.26Å; H632-F688 AromaticContact NE2-CE2 3.49Å; H632-F688 WeakPolarHBondContact NE2-CE2 3.37Å; Y684-F688 PolarHBondContact O-N 3.19Å; A685-F688 WeakPolarHBondContact O-CB 3.27Å; A685-F688 PolarHBondContact O-N 3.36Å; V686-F688 VanDerWaalsContact C-N 3.28Å; V686-F688 PolarHBondContact O-N 2.95Å; F688-N692 WeakPolarHBondContact CD2-ND2 3.39Å; F688-N692 WeakPolarHBondContact CE2-ND2 3.45Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.46Å; F688-N692 WeakPolarHBondContact O-CB 3.46Å; F688-N692 PolarHBondContact O-N 2.94Å; F688-N692 PolarHBondContact O-ND2 2.71Å
689	L	96	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-47.3	172.7	-45.3	177.2	0	0	0	110.5	L623 V686 R687 N692 Q693 L694 H696 L733 F736	L623-L689 HydrophobicContact CD2-CD2 3.66Å; V686-L689 WeakPolarHBondContact O-CB 3.33Å; V686-L689 PolarHBondContact O-N 3.41Å; V686-L689 VanDerWaalsContact O-N 3.12Å; R687-L689 PolarHBondContact O-N 2.85Å; L689-N692 CarbonylContact O-C 3.6Å; L689-N692 VanDerWaalsContact O-C 3.29Å; L689-N692 WeakPolarHBondContact O-CA 3.46Å; L689-N692 PolarHBondContact O-N 3.32Å; L689-Q693 PolarHBondContact O-N 3.18Å; L689-L694 CarbonylContact C-O 3.59Å; L689-L694 HydrophobicContact CB-CB 4.28Å; L689-L694 HydrophobicContact CB-CD2 4.42Å; L689-L694 HydrophobicContact CB-CG 4.46Å; L689-L694 VanDerWaalsContact CB-O 3.3Å; L689-L694 WeakPolarHBondContact CB-O 3.36Å; L689-L694 HydrophobicContact CD2-CD2 4.06Å; L689-L694 PolarHBondContact O-N 2.98Å; L689-L694 VanDerWaalsContact O-O 3.12Å; L689-H696 HydrophobicContact CD1-CB 3.97Å; L689-L733 HydrophobicContact CD1-CD2 3.93Å; L689-F736 HydrophobicContact CD1-CE1 3.93Å; L689-F736 HydrophobicContact CD2-CE1 3.83Å
690	H	96.7	Very high	96.8	Very high	25 Å²	25	15.5 Å²	15.5	12%	0.116	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-45.2	-179.4	-66.1	-179.1	0	0	0	112.7	V686 R687 N692 Q693 L694 Q768 D771	V686-H690 WeakPolarHBondContact CG1-NE2 3Å; V686-H690 PolarHBondContact O-CD2 2.81Å; V686-H690 PolarHBondContact O-N 3.43Å; R687-H690 PolarHBondContact O-N 2.66Å; R687-H690 VanDerWaalsContact O-N 3.12Å; H690-N692 PolarHBondContact O-N 3.34Å; H690-Q693 PolarHBondContact O-N 3.21Å; H690-L694 PolarHBondContact N-O 3.43Å; H690-Q768 HydrophobicContact CB-CB 4.34Å; H690-Q768 HydrophobicContact CB-CG 3.9Å; H690-Q768 PolarHBondContact CE1-O 2.84Å; H690-Q768 PolarHBondContact NE2-O 3.21Å; H690-D771 IonicContact CD2-OD2 3.18Å; H690-D771 IonicContact CE1-OD2 2.73Å; H690-D771 IonicContact NE2-OD2 2.92Å; H690-D771 PolarHBondContact NE2-OD2 3.38Å
691	D	94.3	Very high	96.8	Very high	65 Å²	65	14.6 Å²	14.6	35%	0.348	7%	0.069	S	C	.	.	H	α-helix	trans	-64.8	-15.3	175	-71.9	4.9	0	0	0	111.4	R687 Y897	R687-D691 IonicContact CZ-OD2 3.77Å; R687-D691 IonicContact NE-OD1 3.66Å; R687-D691 IonicContact NE-OD2 2.83Å; R687-D691 PolarHBondContact NE-OD2 3.12Å; R687-D691 IonicContact NH2-OD2 2.78Å; R687-D691 PolarHBondContact NH2-OD2 2.84Å; R687-D691 WeakPolarHBondContact O-CB 3.48Å; R687-D691 PolarHBondContact O-N 2.89Å; D691-Y897 WeakPolarHBondContact OD2-CE1 3.43Å; D691-Y897 PolarHBondContact OD2-OH 2.75Å
692	N	93.4	Very high	96.7	Very high	21 Å²	21	16.6 Å²	16.6	11%	0.112	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	17.6	172.6	-80.5	-88.8	0	0	0	114.6	F622 R626 F688 L689 H690 L694	F622-N692 HydrophobicContact CE1-CB 4.04Å; F622-N692 HydrophobicContact CZ-CB 4.06Å; R626-N692 WeakPolarHBondContact CD-OD1 3.45Å; R626-N692 PolarHBondContact NE-OD1 3.2Å; F688-N692 WeakPolarHBondContact CD2-ND2 3.39Å; F688-N692 WeakPolarHBondContact CE2-ND2 3.45Å; F688-N692 WeakPolarHBondContact CZ-ND2 3.46Å; F688-N692 WeakPolarHBondContact O-CB 3.46Å; F688-N692 PolarHBondContact O-N 2.94Å; F688-N692 PolarHBondContact O-ND2 2.71Å; L689-N692 CarbonylContact O-C 3.6Å; L689-N692 VanDerWaalsContact O-C 3.29Å; L689-N692 WeakPolarHBondContact O-CA 3.46Å; L689-N692 PolarHBondContact O-N 3.32Å; H690-N692 PolarHBondContact O-N 3.34Å; N692-L694 VanDerWaalsContact C-N 3.28Å; N692-L694 PolarHBondContact O-N 3.16Å
693	Q	95.4	Very high	96.6	Very high	99 Å²	99	17 Å²	17	46%	0.463	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	33.1	178.7	-62.6	161.6	48.5	0	0	113.9	L689 H690 F741 D742	L689-Q693 PolarHBondContact O-N 3.18Å; H690-Q693 PolarHBondContact O-N 3.21Å; Q693-F741 CarbonylContact O-C 3.55Å; Q693-F741 VanDerWaalsContact O-CA 3.28Å; Q693-F741 WeakPolarHBondContact O-CA 3.49Å; Q693-D742 HydrophobicContact CB-CB 4.19Å; Q693-D742 PolarHBondContact O-N 3.02Å
694	L	95.9	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.4	-179.8	-178.6	69.8	0	0	0	110.1	V619 L623 L689 H690 N692 A739 F741	V619-L694 HydrophobicContact CG1-CD1 4.39Å; V619-L694 HydrophobicContact CG1-CD2 3.72Å; L623-L694 HydrophobicContact CD2-CD2 4.25Å; L689-L694 CarbonylContact C-O 3.59Å; L689-L694 HydrophobicContact CB-CB 4.28Å; L689-L694 HydrophobicContact CB-CD2 4.42Å; L689-L694 HydrophobicContact CB-CG 4.46Å; L689-L694 VanDerWaalsContact CB-O 3.3Å; L689-L694 WeakPolarHBondContact CB-O 3.36Å; L689-L694 HydrophobicContact CD2-CD2 4.06Å; L689-L694 PolarHBondContact O-N 2.98Å; L689-L694 VanDerWaalsContact O-O 3.12Å; H690-L694 PolarHBondContact N-O 3.43Å; N692-L694 VanDerWaalsContact C-N 3.28Å; N692-L694 PolarHBondContact O-N 3.16Å; L694-A739 HydrophobicContact CD1-CB 3.93Å; L694-A739 HydrophobicContact CG-CB 4.31Å; L694-F741 HydrophobicContact CB-CD1 4.04Å; L694-F741 HydrophobicContact CB-CE1 4.07Å; L694-F741 HydrophobicContact CD1-CD1 3.79Å; L694-F741 HydrophobicContact CD1-CD2 4.1Å; L694-F741 HydrophobicContact CD1-CE1 3.83Å; L694-F741 HydrophobicContact CD1-CE2 4.14Å; L694-F741 HydrophobicContact CD1-CG 3.93Å; L694-F741 HydrophobicContact CD1-CZ 4Å; L694-F741 HydrophobicContact CD2-CE1 4.47Å; L694-F741 HydrophobicContact CG-CD1 4.48Å; L694-F741 HydrophobicContact CG-CE1 4.35Å
695	T	97.9	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.6	174	-54.5	0	0	0	0	109.1	T697 A739 T740 W766 Q768 D771	T695-T697 HydrophobicContact CG2-CG2 3.89Å; T695-A739 CarbonylContact O-C 3.06Å; T695-A739 WeakPolarHBondContact O-CA 3.4Å; T695-T740 PolarHBondContact N-O 2.83Å; T695-T740 PolarHBondContact O-N 3.13Å; T695-W766 HydrophobicContact CG2-CE3 4.25Å; T695-W766 HydrophobicContact CG2-CZ3 4.03Å; T695-Q768 PolarHBondContact OG1-N 2.97Å; T695-Q768 VanDerWaalsContact OG1-N 3.11Å; T695-D771 WeakPolarHBondContact CG2-OD2 3.18Å
696	H	97.8	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.			trans	-78	-34.5	-176.7	-170.7	-63.5	0	0	0	112.8	L689 D698 L699 I734 D735 F736 S738 D771	L689-H696 HydrophobicContact CD1-CB 3.97Å; H696-D698 PolarHBondContact O-N 3.06Å; H696-L699 HydrophobicContact CB-CD2 3.9Å; H696-L699 HydrophobicContact CB-CG 3.98Å; H696-L699 VanDerWaalsContact CG-CD2 3.46Å; H696-I734 PolarHBondContact NE2-O 3.5Å; H696-D735 PolarHBondContact CE1-O 2.97Å; H696-F736 AromaticContact CD2-CD1 3.99Å; H696-F736 AromaticContact CD2-CE1 3.84Å; H696-S738 CarbonylContact O-C 3.54Å; H696-D771 PolarHBondContact N-OD1 3.12Å; H696-D771 PolarHBondContact N-OD2 2.71Å
697	T	97.5	Very high	96.5	Very high	2 Å²	2	21 Å²	21	1%	0.012	10%	0.104	C	C	.	.			trans	66.5	-36.2	175.7	91.3	0	0	0	0	117.3	T695 S738 V750 S751 W766 D771	T695-T697 HydrophobicContact CG2-CG2 3.89Å; T697-S738 WeakPolarHBondContact CG2-O 3.25Å; T697-S738 WeakPolarHBondContact OG1-CB 3.35Å; T697-S738 PolarHBondContact OG1-O 3.37Å; T697-V750 HydrophobicContact CG2-CG1 4.48Å; T697-S751 WeakPolarHBondContact O-CA 3.5Å; T697-S751 WeakPolarHBondContact O-CB 3.42Å; T697-S751 PolarHBondContact O-N 3.36Å; T697-S751 PolarHBondContact O-OG 3Å; T697-W766 HydrophobicContact CG2-CE3 4.32Å; T697-W766 HydrophobicContact CG2-CH2 3.57Å; T697-W766 HydrophobicContact CG2-CZ2 4.46Å; T697-W766 HydrophobicContact CG2-CZ3 3.49Å; T697-W766 VanDerWaalsContact CG2-CZ3 3.49Å; T697-D771 PolarHBondContact N-OD1 3.42Å
698	D	97.1	Very high	96.4	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.064	12%	0.117	C	C	.	.			trans	-115	51	176.7	-161.7	28.9	0	0	0	114.3	H696 K700 N703 T752	H696-D698 PolarHBondContact O-N 3.06Å; D698-K700 PolarHBondContact O-N 3.48Å; D698-K700 IonicContact OD2-NZ 2.75Å; D698-K700 PolarHBondContact OD2-NZ 3.13Å; D698-N703 PolarHBondContact O-ND2 2.93Å; D698-T752 WeakPolarHBondContact OD1-CA 3.4Å; D698-T752 WeakPolarHBondContact OD1-CB 3.39Å; D698-T752 PolarHBondContact OD1-N 3.14Å; D698-T752 PolarHBondContact OD1-OG1 3.27Å; D698-T752 PolarHBondContact OD2-OG1 3.32Å
699	L	98.6	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.			trans	-69.1	125.7	170.8	-67.1	179.1	0	0	0	111.2	V686 H696 L733 D771 I775 I778	V686-L699 HydrophobicContact CG1-CD1 4.01Å; V686-L699 HydrophobicContact CG2-CD1 3.73Å; V686-L699 HydrophobicContact CG2-CD2 3.91Å; V686-L699 HydrophobicContact CG2-CG 4.5Å; H696-L699 HydrophobicContact CB-CD2 3.9Å; H696-L699 HydrophobicContact CB-CG 3.98Å; H696-L699 VanDerWaalsContact CG-CD2 3.46Å; L699-L733 HydrophobicContact CD2-CD1 3.63Å; L699-L733 HydrophobicContact CD2-CD2 4.36Å; L699-D771 HydrophobicContact CD1-CB 3.58Å; L699-I775 HydrophobicContact CD1-CD1 4.14Å; L699-I775 HydrophobicContact CD1-CG1 3.9Å; L699-I778 HydrophobicContact CB-CD1 4.11Å
700	K	97.7	Very high	96.4	Very high	16 Å²	16	27.1 Å²	27.1	7%	0.07	14%	0.143	C	C	.	.			trans	-157.4	155.8	-179.1	59.8	-177	-176.9	-75.1	0	111	D698 E702 N703 D735 T752 Y755	D698-K700 PolarHBondContact O-N 3.48Å; D698-K700 IonicContact OD2-NZ 2.75Å; D698-K700 PolarHBondContact OD2-NZ 3.13Å; K700-E702 WeakPolarHBondContact CB-OE2 3.06Å; K700-E702 HydrophobicContact CD-CB 4.19Å; K700-E702 HydrophobicContact CG-CB 4.11Å; K700-E702 PolarHBondContact O-N 2.87Å; K700-E702 VanDerWaalsContact O-N 3.13Å; K700-N703 WeakPolarHBondContact CE-OD1 3.43Å; K700-N703 HydrophobicContact CG-CB 3.94Å; K700-N703 PolarHBondContact NZ-ND2 3.29Å; K700-N703 PolarHBondContact NZ-OD1 3.32Å; K700-N703 PolarHBondContact O-N 2.97Å; K700-D735 IonicContact NZ-OD2 3.47Å; K700-T752 HydrophobicContact CD-CG2 4.43Å; K700-Y755 HydrophobicContact CB-CD2 3.62Å; K700-Y755 HydrophobicContact CB-CE2 3.28Å
701	P	97.8	Very high	96.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.4	-17.4	-179.4	-19.3	32.8	0	0	0	114.2	V658 F659 Y755 I778	V658-P701 PolarHBondContact N-O 3.47Å; F659-P701 HydrophobicContact CB-CB 4.06Å; F659-P701 PolarHBondContact N-O 3.49Å; P701-Y755 VanDerWaalsContact CD-CZ 3.43Å; P701-Y755 VanDerWaalsContact CD-OH 3.26Å; P701-Y755 WeakPolarHBondContact CD-OH 3.26Å; P701-Y755 HydrophobicContact CG-CE1 4.35Å; P701-I778 HydrophobicContact CG-CG1 4.12Å; P701-I778 HydrophobicContact CG-CG2 4.34Å
702	E	95.2	Very high	96.3	Very high	48 Å²	48	30.8 Å²	30.8	22%	0.224	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.5	-31	169.4	-58.2	93.1	136.2	0	0	112.7	S657 F659 K700 I704 Y755	S657-E702 WeakPolarHBondContact CB-O 3.34Å; F659-E702 HydrophobicContact CB-CB 4.46Å; F659-E702 HydrophobicContact CB-CG 3.82Å; F659-E702 HydrophobicContact CD1-CG 3.96Å; F659-E702 HydrophobicContact CD2-CG 4.45Å; F659-E702 HydrophobicContact CG-CG 3.83Å; K700-E702 WeakPolarHBondContact CB-OE2 3.06Å; K700-E702 HydrophobicContact CD-CB 4.19Å; K700-E702 HydrophobicContact CG-CB 4.11Å; K700-E702 PolarHBondContact O-N 2.87Å; K700-E702 VanDerWaalsContact O-N 3.13Å; E702-I704 VanDerWaalsContact C-N 3.32Å; E702-Y755 PolarHBondContact OE2-OH 2.93Å
703	N	96.8	Very high	96.3	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.048	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-93.4	13.4	-178.1	-74.6	18.8	0	0	0	113.3	D698 K700 I734 D735	D698-N703 PolarHBondContact O-ND2 2.93Å; K700-N703 WeakPolarHBondContact CE-OD1 3.43Å; K700-N703 HydrophobicContact CG-CB 3.94Å; K700-N703 PolarHBondContact NZ-ND2 3.29Å; K700-N703 PolarHBondContact NZ-OD1 3.32Å; K700-N703 PolarHBondContact O-N 2.97Å; N703-I734 HydrophobicContact CB-CG1 4.2Å; N703-I734 WeakPolarHBondContact O-CG1 3.12Å; N703-I734 PolarHBondContact O-N 3.38Å; N703-I734 VanDerWaalsContact O-N 3.08Å; N703-D735 WeakPolarHBondContact ND2-CB 3.37Å; N703-D735 PolarHBondContact ND2-OD2 2.78Å; N703-D735 PolarHBondContact OD1-OD2 3.08Å
704	I	98.1	Very high	96	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.7	174.9	-55.3	167.9	0	0	0	106.1	S657 V658 L682 E702 I731 I778	S657-I704 CarbonylContact C-O 3.6Å; S657-I704 WeakPolarHBondContact CA-O 3.36Å; V658-I704 HydrophobicContact CB-CB 4.44Å; V658-I704 HydrophobicContact CG2-CB 4.03Å; V658-I704 HydrophobicContact CG2-CG2 3.66Å; V658-I704 WeakPolarHBondContact CG2-O 3.33Å; V658-I704 PolarHBondContact N-O 3.4Å; L682-I704 HydrophobicContact CD1-CD1 3.7Å; L682-I704 HydrophobicContact CD1-CG1 4.08Å; L682-I704 HydrophobicContact CD2-CD1 3.64Å; L682-I704 HydrophobicContact CG-CD1 4.25Å; E702-I704 VanDerWaalsContact C-N 3.32Å; I704-I731 HydrophobicContact CG2-CB 3.84Å; I704-I731 HydrophobicContact CG2-CD1 3.56Å; I704-I731 HydrophobicContact CG2-CG1 4.3Å; I704-I731 HydrophobicContact CG2-CG2 3.84Å; I704-I778 HydrophobicContact CD1-CD1 4.31Å; I704-I778 HydrophobicContact CD1-CG2 4.22Å
705	L	97	Very high	95.7	Very high	31 Å²	31	36.1 Å²	36.1	16%	0.162	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144	179.6	-86.2	60.7	0	0	0	110.1	L654 I731 R732 I734	L654-L705 HydrophobicContact CB-CB 4.23Å; L654-L705 HydrophobicContact CB-CD2 3.94Å; L654-L705 HydrophobicContact CD1-CB 4.09Å; L654-L705 HydrophobicContact CD1-CD2 4.14Å; L705-I731 CarbonylContact O-C 3.51Å; L705-I731 WeakPolarHBondContact O-CA 3.45Å; L705-I731 WeakPolarHBondContact O-CB 3.34Å; L705-R732 PolarHBondContact N-O 3.41Å; L705-R732 PolarHBondContact O-N 3.12Å; L705-I734 HydrophobicContact CD1-CD1 3.49Å; L705-I734 VanDerWaalsContact CD1-CD1 3.49Å; L705-I734 HydrophobicContact CD1-CG1 3.86Å; L705-I734 HydrophobicContact CD1-CG2 4.26Å; L705-I734 HydrophobicContact CD2-CD1 4.32Å; L705-I734 HydrophobicContact CD2-CG2 4.44Å
706	F	97.4	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	143.5	167	-69.9	-69.8	0	0	0	110.1	G655 L656 V658 F661 Y670 I678 D708 V726 D730 I731	G655-F706 WeakPolarHBondContact CA-O 3.32Å; G655-F706 PolarHBondContact N-O 3.09Å; L656-F706 PolarHBondContact O-N 3.5Å; V658-F706 HydrophobicContact CB-CE2 4.33Å; V658-F706 HydrophobicContact CG1-CZ 4.39Å; V658-F706 HydrophobicContact CG2-CD2 4.23Å; V658-F706 HydrophobicContact CG2-CE1 4.22Å; V658-F706 HydrophobicContact CG2-CE2 3.82Å; V658-F706 HydrophobicContact CG2-CZ 3.82Å; F661-F706 HydrophobicContact CB-CD2 4.33Å; F661-F706 HydrophobicContact CB-CE2 3.84Å; F661-F706 HydrophobicContact CD1-CE2 4.5Å; F661-F706 HydrophobicContact CD2-CE2 4.41Å; F661-F706 AromaticContact CG-CE2 4Å; F661-F706 HydrophobicContact CG-CE2 4Å; Y670-F706 HydrophobicContact CE1-CE2 4.44Å; Y670-F706 AromaticContact CE1-CZ 3.97Å; Y670-F706 HydrophobicContact CE1-CZ 3.97Å; I678-F706 HydrophobicContact CD1-CE1 3.78Å; I678-F706 HydrophobicContact CD1-CZ 3.86Å; I678-F706 HydrophobicContact CG1-CE1 4.22Å; F706-D708 PolarHBondContact O-N 3.13Å; F706-V726 HydrophobicContact CD1-CG2 4.49Å; F706-V726 HydrophobicContact CE1-CG1 4.03Å; F706-V726 HydrophobicContact CG-CG2 4.48Å; F706-V726 HydrophobicContact CZ-CG1 4.12Å; F706-D730 WeakPolarHBondContact CA-O 3.35Å; F706-I731 HydrophobicContact CD1-CG2 3.96Å; F706-I731 HydrophobicContact CE1-CG2 4.18Å
707	V	95.1	Very high	94.6	Very high	62 Å²	62	48.4 Å²	48.4	38%	0.376	24%	0.242	S	C	.	.	S	Bend	trans	-61.6	-39.9	169.9	178.3	0	0	0	0	110.1	D730 R732	V707-D730 HydrophobicContact CB-CB 4.19Å; V707-D730 HydrophobicContact CG2-CB 3.89Å; V707-D730 PolarHBondContact N-O 3.41Å; V707-R732 HydrophobicContact CG2-CG 4.15Å
708	D	94	Very high	94	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	28%	0.284	S	S	.	.			trans	-141.3	124	168.7	-172.6	-4.8	0	0	0	109.3	F706 D710	F706-D708 PolarHBondContact O-N 3.13Å; D708-D710 WeakPolarHBondContact OD1-CB 3.47Å; D708-D710 PolarHBondContact OD1-N 3.46Å
709	S	95.1	Very high	93.4	Very high	22 Å²	22	62.7 Å²	62.7	15%	0.154	30%	0.303	C	S	.	.			trans	-91.9	8.9	179.5	54.2	0	0	0	0	114	G655 L656 F661	G655-S709 WeakPolarHBondContact CA-OG 3.49Å; L656-S709 PolarHBondContact N-OG 3.2Å; F661-S709 WeakPolarHBondContact CE2-O 3.48Å
710	D	95.8	Very high	92.7	Very high	73 Å²	73	73.3 Å²	73.3	39%	0.39	34%	0.343	S	S	.	.			trans	-58.6	139	176.4	-161.4	7	0	0	0	111.6	D708 V726 K727	D708-D710 WeakPolarHBondContact OD1-CB 3.47Å; D708-D710 PolarHBondContact OD1-N 3.46Å; D710-V726 WeakPolarHBondContact O-CG2 3.49Å; D710-K727 HydrophobicContact CB-CD 4.23Å; D710-K727 WeakPolarHBondContact O-CG 3.49Å; D710-K727 PolarHBondContact O-N 2.85Å; D710-K727 IonicContact OD1-NZ 3.92Å; D710-K727 PolarHBondContact OD1-NZ 2.8Å; D710-K727 VanDerWaalsContact OD1-NZ 3.13Å; D710-K727 WeakPolarHBondContact OD2-CE 3.2Å; D710-K727 IonicContact OD2-NZ 3.7Å; D710-K727 PolarHBondContact OD2-NZ 3.48Å
711	Y	95.4	Very high	92.2	Very high	92 Å²	92	77.5 Å²	77.5	36%	0.361	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.9	-165.2	70.1	-90.5	0	0	0	114.9	F661 R724 M725 K727	F661-Y711 HydrophobicContact CE2-CD1 4.46Å; F661-Y711 HydrophobicContact CE2-CG 4.46Å; Y711-R724 HydrophobicContact CD2-CB 3.81Å; Y711-R724 HydrophobicContact CD2-CG 3.76Å; Y711-R724 HydrophobicContact CE2-CB 4.27Å; Y711-R724 HydrophobicContact CE2-CG 3.67Å; Y711-R724 HydrophobicContact CG-CB 4.24Å; Y711-R724 HydrophobicContact CG-CG 4.43Å; Y711-M725 CarbonylContact C-O 3.42Å; Y711-M725 WeakPolarHBondContact CA-O 3.44Å; Y711-M725 WeakPolarHBondContact CB-O 3.44Å; Y711-K727 WeakPolarHBondContact O-CE 3.3Å
712	I	94.5	Very high	91.7	Very high	75 Å²	75	82.9 Å²	82.9	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145.2	165.8	55.9	171.4	0	0	0	110.9	V714 M725 K727	I712-V714 HydrophobicContact CD1-CG2 4.4Å; I712-V714 HydrophobicContact CG1-CG2 4.28Å; I712-M725 HydrophobicContact CD1-CE 3.85Å; I712-M725 HydrophobicContact CG1-CB 4.4Å; I712-M725 HydrophobicContact CG1-CE 4.26Å; I712-M725 PolarHBondContact N-O 3.31Å; I712-M725 PolarHBondContact O-N 2.85Å; I712-K727 HydrophobicContact CG2-CG 4.17Å
713	S	92.3	Very high	91.5	Very high	75 Å²	75	81.7 Å²	81.7	52%	0.524	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.7	178.4	-179.3	0	0	0	0	110.1	H722	S713-H722 PolarHBondContact OG-ND1 3.11Å
714	V	90.3	Very high	91.3	Very high	62 Å²	62	84.5 Å²	84.5	38%	0.376	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.3	-177.3	-176	0	0	0	0	109.5	I712 N716 E723 M725	I712-V714 HydrophobicContact CD1-CG2 4.4Å; I712-V714 HydrophobicContact CG1-CG2 4.28Å; V714-N716 PolarHBondContact O-N 2.68Å; V714-E723 PolarHBondContact N-O 3.42Å; V714-E723 PolarHBondContact O-N 3.25Å; V714-M725 HydrophobicContact CG2-CB 3.99Å; V714-M725 HydrophobicContact CG2-CE 4.17Å; V714-M725 HydrophobicContact CG2-SD 4.47Å
715	H	89.2	Confident	91.1	Very high	94 Å²	94	86.9 Å²	86.9	44%	0.435	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	104.3	178.7	-175.2	90.4	0	0	0	111.4	R717 H722	H715-R717 PolarHBondContact O-N 2.96Å; H715-H722 AromaticContact CG-NE2 3.84Å; H715-H722 AromaticContact ND1-CD2 3.46Å; H715-H722 PolarHBondContact ND1-CD2 2.81Å; H715-H722 AromaticContact ND1-CE1 3.67Å; H715-H722 AromaticContact ND1-NE2 2.98Å; H715-H722 PolarHBondContact ND1-NE2 2.85Å
716	N	86.2	Confident	91.1	Very high	38 Å²	38	85.5 Å²	85.5	20%	0.203	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	91.4	175.5	-169.3	-36.6	0	0	0	110.9	V714 K718 K719 R720 R721 E723	V714-N716 PolarHBondContact O-N 2.68Å; N716-K718 PolarHBondContact O-N 3.08Å; N716-K718 VanDerWaalsContact O-N 3.13Å; N716-K718 WeakPolarHBondContact OD1-CB 3.43Å; N716-K718 PolarHBondContact OD1-N 2.84Å; N716-K718 VanDerWaalsContact OD1-N 3.07Å; N716-K719 HydrophobicContact CB-CB 4.31Å; N716-K719 WeakPolarHBondContact ND2-CE 3.28Å; N716-K719 CarbonylContact O-C 3.57Å; N716-K719 PolarHBondContact O-N 3.02Å; N716-K719 PolarHBondContact OD1-N 3.47Å; N716-K719 VanDerWaalsContact OD1-N 3.15Å; N716-R720 PolarHBondContact O-N 2.81Å; N716-R721 PolarHBondContact N-O 3.22Å; N716-E723 HydrophobicContact CB-CG 4.04Å; N716-E723 WeakPolarHBondContact CB-OE2 3.08Å; N716-E723 PolarHBondContact ND2-OE2 2.86Å
717	R	85.8	Confident	90.9	Very high	221 Å²	221	91.2 Å²	91.2	83%	0.834	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-32.4	178.2	-67.8	-175.2	178.1	-178.7	0.2	114	H715	H715-R717 PolarHBondContact O-N 2.96Å
718	K	84.9	Confident	90.8	Very high	208 Å²	208	90.6 Å²	90.6	90%	0.904	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.7	179.4	-66.2	-177	178.5	178.9	0	112	N716	N716-K718 PolarHBondContact O-N 3.08Å; N716-K718 VanDerWaalsContact O-N 3.13Å; N716-K718 WeakPolarHBondContact OD1-CB 3.43Å; N716-K718 PolarHBondContact OD1-N 2.84Å; N716-K718 VanDerWaalsContact OD1-N 3.07Å
719	K	84.4	Confident	90.9	Very high	105 Å²	105	87 Å²	87	46%	0.457	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.9	-179.3	-58.8	175.6	-167.3	157.7	0	113.8	N716 R721 E723	N716-K719 HydrophobicContact CB-CB 4.31Å; N716-K719 WeakPolarHBondContact ND2-CE 3.28Å; N716-K719 CarbonylContact O-C 3.57Å; N716-K719 PolarHBondContact O-N 3.02Å; N716-K719 PolarHBondContact OD1-N 3.47Å; N716-K719 VanDerWaalsContact OD1-N 3.15Å; K719-R721 HydrophobicContact CB-CG 3.98Å; K719-R721 PolarHBondContact O-N 2.99Å; K719-E723 WeakPolarHBondContact CD-OE1 3.39Å; K719-E723 IonicContact NZ-OE1 2.67Å; K719-E723 PolarHBondContact NZ-OE1 2.89Å; K719-E723 IonicContact NZ-OE2 3.63Å; K719-E723 PolarHBondContact NZ-OE2 3.16Å
720	R	84.9	Confident	90.9	Very high	223 Å²	223	89.1 Å²	89.1	84%	0.842	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	28.9	-176.9	-61.7	-177.9	62.7	-165.5	-4.2	114.9	N716	N716-R720 PolarHBondContact O-N 2.81Å
721	R	86.7	Confident	91	Very high	104 Å²	104	85.8 Å²	85.8	39%	0.392	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163	-178.5	70.9	-179.8	-177.8	-172.1	-0.5	112.1	N716 K719 E723	N716-R721 PolarHBondContact N-O 3.22Å; K719-R721 HydrophobicContact CB-CG 3.98Å; K719-R721 PolarHBondContact O-N 2.99Å; R721-E723 HydrophobicContact CG-CG 4.1Å; R721-E723 IonicContact CZ-OE1 3.28Å; R721-E723 IonicContact NE-OE1 3.32Å; R721-E723 PolarHBondContact NE-OE1 3Å; R721-E723 IonicContact NH2-OE1 2.69Å; R721-E723 PolarHBondContact NH2-OE1 2.78Å
722	H	87.2	Confident	91.1	Very high	115 Å²	115	84.1 Å²	84.1	53%	0.532	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.7	167.5	-71.8	-106.1	0	0	0	110	S713 H715	S713-H722 PolarHBondContact OG-ND1 3.11Å; H715-H722 AromaticContact CG-NE2 3.84Å; H715-H722 AromaticContact ND1-CD2 3.46Å; H715-H722 PolarHBondContact ND1-CD2 2.81Å; H715-H722 AromaticContact ND1-CE1 3.67Å; H715-H722 AromaticContact ND1-NE2 2.98Å; H715-H722 PolarHBondContact ND1-NE2 2.85Å
723	E	90.9	Very high	91.2	Very high	23 Å²	23	80.7 Å²	80.7	11%	0.107	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.4	174.6	-54.4	-167.8	131.1	0	0	107.1	V668 V714 N716 K719 R721	V668-E723 WeakPolarHBondContact CG1-OE1 3.45Å; V714-E723 PolarHBondContact N-O 3.42Å; V714-E723 PolarHBondContact O-N 3.25Å; N716-E723 HydrophobicContact CB-CG 4.04Å; N716-E723 WeakPolarHBondContact CB-OE2 3.08Å; N716-E723 PolarHBondContact ND2-OE2 2.86Å; K719-E723 WeakPolarHBondContact CD-OE1 3.39Å; K719-E723 IonicContact NZ-OE1 2.67Å; K719-E723 PolarHBondContact NZ-OE1 2.89Å; K719-E723 IonicContact NZ-OE2 3.63Å; K719-E723 PolarHBondContact NZ-OE2 3.16Å; R721-E723 HydrophobicContact CG-CG 4.1Å; R721-E723 IonicContact CZ-OE1 3.28Å; R721-E723 IonicContact NE-OE1 3.32Å; R721-E723 PolarHBondContact NE-OE1 3Å; R721-E723 IonicContact NH2-OE1 2.69Å; R721-E723 PolarHBondContact NH2-OE1 2.78Å
724	R	92.9	Very high	91.3	Very high	67 Å²	67	78.9 Å²	78.9	25%	0.253	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.2	177	-56.8	-172.2	-175.1	-177.6	11.9	109.3	F661 E664 N665 Y711	F661-R724 HydrophobicContact CE1-CB 4.34Å; F661-R724 HydrophobicContact CZ-CB 4.03Å; E664-R724 IonicContact OE2-CZ 3.46Å; E664-R724 VanDerWaalsContact OE2-CZ 3.23Å; E664-R724 IonicContact OE2-NH1 3.36Å; E664-R724 PolarHBondContact OE2-NH1 2.8Å; E664-R724 IonicContact OE2-NH2 2.75Å; E664-R724 PolarHBondContact OE2-NH2 2.91Å; N665-R724 HydrophobicContact CB-CB 4.43Å; N665-R724 PolarHBondContact ND2-O 2.88Å; N665-R724 PolarHBondContact OD1-N 2.82Å; Y711-R724 HydrophobicContact CD2-CB 3.81Å; Y711-R724 HydrophobicContact CD2-CG 3.76Å; Y711-R724 HydrophobicContact CE2-CB 4.27Å; Y711-R724 HydrophobicContact CE2-CG 3.67Å; Y711-R724 HydrophobicContact CG-CB 4.24Å; Y711-R724 HydrophobicContact CG-CG 4.43Å
725	M	93.7	Very high	91.4	Very high	51 Å²	51	77.5 Å²	77.5	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	119.2	172.8	-170.4	172.7	78.7	0	0	108.1	P671 Y711 I712 V714	P671-M725 HydrophobicContact CG-CG 4.05Å; P671-M725 HydrophobicContact CG-SD 3.76Å; Y711-M725 CarbonylContact C-O 3.42Å; Y711-M725 WeakPolarHBondContact CA-O 3.44Å; Y711-M725 WeakPolarHBondContact CB-O 3.44Å; I712-M725 HydrophobicContact CD1-CE 3.85Å; I712-M725 HydrophobicContact CG1-CB 4.4Å; I712-M725 HydrophobicContact CG1-CE 4.26Å; I712-M725 PolarHBondContact N-O 3.31Å; I712-M725 PolarHBondContact O-N 2.85Å; V714-M725 HydrophobicContact CG2-CB 3.99Å; V714-M725 HydrophobicContact CG2-CE 4.17Å; V714-M725 HydrophobicContact CG2-SD 4.47Å
726	V	95.7	Very high	91.5	Very high	2 Å²	2	73 Å²	73	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	145.1	179.4	67.8	0	0	0	0	110.2	F661 H674 F706 D710 C728	F661-V726 HydrophobicContact CE1-CB 4.34Å; F661-V726 HydrophobicContact CE2-CB 3.85Å; F661-V726 HydrophobicContact CE2-CG2 4.17Å; F661-V726 HydrophobicContact CZ-CB 3.75Å; H674-V726 PolarHBondContact CE1-O 3.41Å; H674-V726 VanDerWaalsContact CE1-O 3.3Å; F706-V726 HydrophobicContact CD1-CG2 4.49Å; F706-V726 HydrophobicContact CE1-CG1 4.03Å; F706-V726 HydrophobicContact CG-CG2 4.48Å; F706-V726 HydrophobicContact CZ-CG1 4.12Å; D710-V726 WeakPolarHBondContact O-CG2 3.49Å; V726-C728 WeakPolarHBondContact CG1-O 3.25Å; V726-C728 WeakPolarHBondContact CG2-O 3.43Å
727	K	94.4	Very high	91.7	Very high	121 Å²	121	72.6 Å²	72.6	53%	0.526	32%	0.321	S	S	.	.	S	Bend	trans	-73.8	-38.8	-177	-67.4	173.6	-164	174.9	0	111.9	D710 Y711 I712	D710-K727 HydrophobicContact CB-CD 4.23Å; D710-K727 WeakPolarHBondContact O-CG 3.49Å; D710-K727 PolarHBondContact O-N 2.85Å; D710-K727 IonicContact OD1-NZ 3.92Å; D710-K727 PolarHBondContact OD1-NZ 2.8Å; D710-K727 VanDerWaalsContact OD1-NZ 3.13Å; D710-K727 WeakPolarHBondContact OD2-CE 3.2Å; D710-K727 IonicContact OD2-NZ 3.7Å; D710-K727 PolarHBondContact OD2-NZ 3.48Å; Y711-K727 WeakPolarHBondContact O-CE 3.3Å; I712-K727 HydrophobicContact CG2-CG 4.17Å
728	C	92.6	Very high	91.9	Very high	48 Å²	48	64.5 Å²	64.5	32%	0.324	30%	0.299	S	S	.	.			trans	-120.1	146.3	176	-162.5	0	0	0	0	109.1	V726 D730	V726-C728 WeakPolarHBondContact CG1-O 3.25Å; V726-C728 WeakPolarHBondContact CG2-O 3.43Å; C728-D730 PolarHBondContact SG-OD1 2.82Å; C728-D730 PolarHBondContact SG-OD2 3.11Å
729	S	95.9	Very high	92.3	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	26%	0.261	C	S	.	.			trans	-112.3	19	176.4	44.4	0	0	0	0	112.6	H677 Q681	H677-S729 PolarHBondContact ND1-OG 2.86Å; Q681-S729 PolarHBondContact NE2-O 3.36Å
730	D	96	Very high	92.8	Very high	67 Å²	67	51.2 Å²	51.2	36%	0.358	25%	0.246	S	C	.	.			trans	-67.4	134.4	173.6	-63.3	4.8	0	0	0	110.2	H677 Q681 F706 V707 C728	H677-D730 IonicContact CE1-OD1 3.04Å; H677-D730 PolarHBondContact CE1-OD1 3.31Å; Q681-D730 VanDerWaalsContact OE1-CA 3.31Å; F706-D730 WeakPolarHBondContact CA-O 3.35Å; V707-D730 HydrophobicContact CB-CB 4.19Å; V707-D730 HydrophobicContact CG2-CB 3.89Å; V707-D730 PolarHBondContact N-O 3.41Å; C728-D730 PolarHBondContact SG-OD1 2.82Å; C728-D730 PolarHBondContact SG-OD2 3.11Å
731	I	97.4	Very high	93.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	166.5	-176.4	57.3	158.4	0	0	0	113.4	V658 I678 Q681 L682 I704 L705 F706	V658-I731 HydrophobicContact CG2-CG2 4.24Å; I678-I731 HydrophobicContact CG1-CG2 4.34Å; I678-I731 HydrophobicContact CG2-CD1 4.31Å; I678-I731 HydrophobicContact CG2-CG2 4.34Å; Q681-I731 HydrophobicContact CB-CD1 3.72Å; Q681-I731 HydrophobicContact CB-CG1 3.56Å; Q681-I731 HydrophobicContact CG-CG1 4.3Å; L682-I731 HydrophobicContact CB-CD1 4.24Å; I704-I731 HydrophobicContact CG2-CB 3.84Å; I704-I731 HydrophobicContact CG2-CD1 3.56Å; I704-I731 HydrophobicContact CG2-CG1 4.3Å; I704-I731 HydrophobicContact CG2-CG2 3.84Å; L705-I731 CarbonylContact O-C 3.51Å; L705-I731 WeakPolarHBondContact O-CA 3.45Å; L705-I731 WeakPolarHBondContact O-CB 3.34Å; F706-I731 HydrophobicContact CD1-CG2 3.96Å; F706-I731 HydrophobicContact CE1-CG2 4.18Å
732	R	96.6	Very high	93.6	Very high	57 Å²	57	39.6 Å²	39.6	22%	0.215	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.1	162.1	-69.4	-61.7	-175.3	-87.5	9.5	110.9	L633 C634 L654 L705 V707	L633-R732 VanDerWaalsContact C-CD 3.4Å; L633-R732 VanDerWaalsContact O-CA 3.3Å; L633-R732 WeakPolarHBondContact O-CA 3.25Å; L633-R732 WeakPolarHBondContact O-CD 3.49Å; C634-R732 WeakPolarHBondContact O-CD 3.38Å; L654-R732 HydrophobicContact CD1-CB 3.92Å; L654-R732 HydrophobicContact CD1-CG 4.4Å; L654-R732 HydrophobicContact CD2-CB 4.47Å; L654-R732 HydrophobicContact CD2-CG 4.12Å; L705-R732 PolarHBondContact N-O 3.41Å; L705-R732 PolarHBondContact O-N 3.12Å; V707-R732 HydrophobicContact CG2-CG 4.15Å
733	L	97.4	Very high	93.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.8	174.1	-177.5	59.9	0	0	0	109.9	L633 V635 L682 A685 V686 L689 L699 F736	L633-L733 PolarHBondContact O-N 2.63Å; V635-L733 PolarHBondContact N-O 2.88Å; L682-L733 HydrophobicContact CD1-CD1 4.4Å; A685-L733 HydrophobicContact CB-CB 4.47Å; A685-L733 HydrophobicContact CB-CD2 4.3Å; V686-L733 HydrophobicContact CG2-CD2 3.82Å; L689-L733 HydrophobicContact CD1-CD2 3.93Å; L699-L733 HydrophobicContact CD2-CD1 3.63Å; L699-L733 HydrophobicContact CD2-CD2 4.36Å; L733-F736 HydrophobicContact CB-CZ 4.46Å; L733-F736 HydrophobicContact CD2-CE1 4.36Å; L733-F736 HydrophobicContact CD2-CZ 4.19Å; L733-F736 HydrophobicContact CG-CZ 4.01Å
734	I	94.6	Very high	93.9	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.195	22%	0.215	C	C	.	.			trans	-127.9	173.1	-175.3	74.7	153.6	0	0	0	112.4	V635 L654 H696 N703 L705	V635-I734 HydrophobicContact CB-CG2 4.12Å; V635-I734 HydrophobicContact CG1-CG2 4.42Å; V635-I734 HydrophobicContact CG2-CG2 4.47Å; L654-I734 HydrophobicContact CD1-CG2 4.29Å; H696-I734 PolarHBondContact NE2-O 3.5Å; N703-I734 HydrophobicContact CB-CG1 4.2Å; N703-I734 WeakPolarHBondContact O-CG1 3.12Å; N703-I734 PolarHBondContact O-N 3.38Å; N703-I734 VanDerWaalsContact O-N 3.08Å; L705-I734 HydrophobicContact CD1-CD1 3.49Å; L705-I734 VanDerWaalsContact CD1-CD1 3.49Å; L705-I734 HydrophobicContact CD1-CG1 3.86Å; L705-I734 HydrophobicContact CD1-CG2 4.26Å; L705-I734 HydrophobicContact CD2-CD1 4.32Å; L705-I734 HydrophobicContact CD2-CG2 4.44Å
735	D	91.4	Very high	93.7	Very high	32 Å²	32	43.3 Å²	43.3	17%	0.171	22%	0.224	C	C	.	.			trans	64.4	64.9	168	-174.5	48.2	0	0	0	113.6	K601 H696 K700 N703 G737	K601-D735 IonicContact NZ-OD1 2.96Å; K601-D735 PolarHBondContact NZ-OD1 3.04Å; H696-D735 PolarHBondContact CE1-O 2.97Å; K700-D735 IonicContact NZ-OD2 3.47Å; N703-D735 WeakPolarHBondContact ND2-CB 3.37Å; N703-D735 PolarHBondContact ND2-OD2 2.78Å; N703-D735 PolarHBondContact OD1-OD2 3.08Å; D735-G737 PolarHBondContact O-N 2.79Å
736	F	92.9	Very high	93.5	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.224	C	C	.	.			trans	-79.4	9	178.7	-66.5	-88.7	0	0	0	113.5	E616 V619 L620 L623 C634 V635 L689 H696 L733 S738 A739	E616-F736 HydrophobicContact CG-CB 4.44Å; V619-F736 HydrophobicContact CB-CB 4.48Å; V619-F736 HydrophobicContact CG1-CB 3.98Å; V619-F736 HydrophobicContact CG1-CD1 4.2Å; V619-F736 HydrophobicContact CG1-CG 4.34Å; L620-F736 HydrophobicContact CD2-CD2 3.75Å; L620-F736 HydrophobicContact CD2-CE2 4.33Å; L620-F736 HydrophobicContact CD2-CG 4.48Å; L623-F736 HydrophobicContact CD1-CD1 3.72Å; L623-F736 HydrophobicContact CD1-CD2 4.18Å; L623-F736 HydrophobicContact CD1-CE1 3.59Å; L623-F736 HydrophobicContact CD1-CE2 4.07Å; L623-F736 HydrophobicContact CD1-CG 4.02Å; L623-F736 HydrophobicContact CD1-CZ 3.78Å; C634-F736 HydrophobicContact CB-CE2 4.37Å; C634-F736 HydrophobicContact CB-CZ 4Å; V635-F736 HydrophobicContact CG1-CE2 4.24Å; L689-F736 HydrophobicContact CD1-CE1 3.93Å; L689-F736 HydrophobicContact CD2-CE1 3.83Å; H696-F736 AromaticContact CD2-CD1 3.99Å; H696-F736 AromaticContact CD2-CE1 3.84Å; L733-F736 HydrophobicContact CB-CZ 4.46Å; L733-F736 HydrophobicContact CD2-CE1 4.36Å; L733-F736 HydrophobicContact CD2-CZ 4.19Å; L733-F736 HydrophobicContact CG-CZ 4.01Å; F736-S738 PolarHBondContact O-N 3.05Å; F736-A739 HydrophobicContact CB-CB 4.22Å; F736-A739 HydrophobicContact CD1-CB 4.24Å; F736-A739 VanDerWaalsContact O-CB 3.28Å; F736-A739 WeakPolarHBondContact O-CB 3.45Å; F736-A739 PolarHBondContact O-N 3.23Å
737	G	88.4	Confident	93.3	Very high	28 Å²	28	44.5 Å²	44.5	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-3.3	-176.3	0	0	0	0	0	115.8	D735	D735-G737 PolarHBondContact O-N 2.79Å
738	S	90.7	Very high	93.2	Very high	51 Å²	51	41 Å²	41	36%	0.357	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	9.9	169	-60.2	0	0	0	0	113	H696 T697 F736 T740	H696-S738 CarbonylContact O-C 3.54Å; T697-S738 WeakPolarHBondContact CG2-O 3.25Å; T697-S738 WeakPolarHBondContact OG1-CB 3.35Å; T697-S738 PolarHBondContact OG1-O 3.37Å; F736-S738 PolarHBondContact O-N 3.05Å; S738-T740 PolarHBondContact O-OG1 3.34Å
739	A	94.2	Very high	93.3	Very high	15 Å²	15	40.6 Å²	40.6	12%	0.124	22%	0.215	C	C	.	.			trans	-72.2	133	178.2	0	0	0	0	0	110.2	V619 L694 T695 F736	V619-A739 HydrophobicContact CG1-CB 4.18Å; V619-A739 HydrophobicContact CG2-CB 4.49Å; L694-A739 HydrophobicContact CD1-CB 3.93Å; L694-A739 HydrophobicContact CG-CB 4.31Å; T695-A739 CarbonylContact O-C 3.06Å; T695-A739 WeakPolarHBondContact O-CA 3.4Å; F736-A739 HydrophobicContact CB-CB 4.22Å; F736-A739 HydrophobicContact CD1-CB 4.24Å; F736-A739 VanDerWaalsContact O-CB 3.28Å; F736-A739 WeakPolarHBondContact O-CB 3.45Å; F736-A739 PolarHBondContact O-N 3.23Å
740	T	94.6	Very high	93.2	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.8	-170.5	-54.9	0	0	0	0	109.9	T695 S738 D744 W766	T695-T740 PolarHBondContact N-O 2.83Å; T695-T740 PolarHBondContact O-N 3.13Å; S738-T740 PolarHBondContact O-OG1 3.34Å; T740-D744 HydrophobicContact CG2-CB 4.32Å; T740-W766 HydrophobicContact CG2-CH2 4.03Å
741	F	94.7	Very high	93.2	Very high	18 Å²	18	38 Å²	38	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	150.5	172.9	-69	-78.1	0	0	0	111.2	V619 F622 Q693 L694 Y743 D744 H746	V619-F741 HydrophobicContact CG2-CE2 4.08Å; F622-F741 HydrophobicContact CB-CZ 4.39Å; F622-F741 HydrophobicContact CD1-CE1 4.09Å; F622-F741 AromaticContact CD1-CZ 3.94Å; F622-F741 HydrophobicContact CD1-CZ 3.94Å; F622-F741 HydrophobicContact CD2-CE1 4.16Å; F622-F741 AromaticContact CD2-CZ 3.94Å; F622-F741 HydrophobicContact CD2-CZ 3.94Å; F622-F741 AromaticContact CE1-CE1 3.83Å; F622-F741 HydrophobicContact CE1-CE1 3.83Å; F622-F741 HydrophobicContact CE1-CZ 4.17Å; F622-F741 AromaticContact CE2-CE1 3.86Å; F622-F741 HydrophobicContact CE2-CE1 3.86Å; F622-F741 HydrophobicContact CE2-CZ 4.13Å; F622-F741 HydrophobicContact CG-CE1 4.27Å; F622-F741 AromaticContact CG-CZ 3.84Å; F622-F741 HydrophobicContact CG-CZ 3.84Å; F622-F741 AromaticContact CZ-CE1 3.71Å; F622-F741 HydrophobicContact CZ-CE1 3.71Å; F622-F741 HydrophobicContact CZ-CZ 4.26Å; Q693-F741 CarbonylContact O-C 3.55Å; Q693-F741 VanDerWaalsContact O-CA 3.28Å; Q693-F741 WeakPolarHBondContact O-CA 3.49Å; L694-F741 HydrophobicContact CB-CD1 4.04Å; L694-F741 HydrophobicContact CB-CE1 4.07Å; L694-F741 HydrophobicContact CD1-CD1 3.79Å; L694-F741 HydrophobicContact CD1-CD2 4.1Å; L694-F741 HydrophobicContact CD1-CE1 3.83Å; L694-F741 HydrophobicContact CD1-CE2 4.14Å; L694-F741 HydrophobicContact CD1-CG 3.93Å; L694-F741 HydrophobicContact CD1-CZ 4Å; L694-F741 HydrophobicContact CD2-CE1 4.47Å; L694-F741 HydrophobicContact CG-CD1 4.48Å; L694-F741 HydrophobicContact CG-CE1 4.35Å; F741-Y743 HydrophobicContact CB-CD1 4.25Å; F741-Y743 HydrophobicContact CB-CD2 4Å; F741-Y743 HydrophobicContact CB-CE1 3.86Å; F741-Y743 HydrophobicContact CB-CE2 3.55Å; F741-Y743 HydrophobicContact CB-CG 4.32Å; F741-Y743 VanDerWaalsContact CB-CZ 3.48Å; F741-Y743 HydrophobicContact CD1-CE1 4.27Å; F741-Y743 AromaticContact CD1-CZ 3.97Å; F741-Y743 HydrophobicContact CD2-CE2 4.15Å; F741-Y743 HydrophobicContact CG-CE1 4.18Å; F741-Y743 AromaticContact CG-CE2 3.95Å; F741-Y743 HydrophobicContact CG-CE2 3.95Å; F741-Y743 AromaticContact CG-CZ 3.57Å; F741-Y743 VanDerWaalsContact CG-OH 3.32Å; F741-Y743 WeakPolarHBondContact CG-OH 3.49Å; F741-Y743 PolarHBondContact O-N 2.86Å; F741-D744 HydrophobicContact CB-CB 4.49Å; F741-D744 PolarHBondContact O-N 2.93Å; F741-H746 PolarHBondContact O-CE1 3.16Å
742	D	94.3	Very high	93	Very high	64 Å²	64	37.8 Å²	37.8	34%	0.342	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-22.4	-178.9	-70	-1.9	0	0	0	114.1	Q693 Q768	Q693-D742 HydrophobicContact CB-CB 4.19Å; Q693-D742 PolarHBondContact O-N 3.02Å; D742-Q768 VanDerWaalsContact CG-NE2 3.26Å; D742-Q768 PolarHBondContact OD1-NE2 3.29Å; D742-Q768 PolarHBondContact OD2-NE2 3.28Å
743	Y	91.9	Very high	93	Very high	133 Å²	133	36.1 Å²	36.1	52%	0.522	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-5.1	177.8	54	-110.2	0	0	0	115.1	F741	F741-Y743 HydrophobicContact CB-CD1 4.25Å; F741-Y743 HydrophobicContact CB-CD2 4Å; F741-Y743 HydrophobicContact CB-CE1 3.86Å; F741-Y743 HydrophobicContact CB-CE2 3.55Å; F741-Y743 HydrophobicContact CB-CG 4.32Å; F741-Y743 VanDerWaalsContact CB-CZ 3.48Å; F741-Y743 HydrophobicContact CD1-CE1 4.27Å; F741-Y743 AromaticContact CD1-CZ 3.97Å; F741-Y743 HydrophobicContact CD2-CE2 4.15Å; F741-Y743 HydrophobicContact CG-CE1 4.18Å; F741-Y743 AromaticContact CG-CE2 3.95Å; F741-Y743 HydrophobicContact CG-CE2 3.95Å; F741-Y743 AromaticContact CG-CZ 3.57Å; F741-Y743 VanDerWaalsContact CG-OH 3.32Å; F741-Y743 WeakPolarHBondContact CG-OH 3.49Å; F741-Y743 PolarHBondContact O-N 2.86Å
744	D	90.7	Very high	93	Very high	53 Å²	53	36.6 Å²	36.6	28%	0.283	20%	0.196	S	C	.	.	S	Bend	trans	-94.7	173.6	-179.8	-91.2	-48.9	0	0	0	112.5	R513 T740 F741 H746	R513-D744 IonicContact NH2-OD1 2.74Å; R513-D744 PolarHBondContact NH2-OD1 2.98Å; T740-D744 HydrophobicContact CG2-CB 4.32Å; F741-D744 HydrophobicContact CB-CB 4.49Å; F741-D744 PolarHBondContact O-N 2.93Å; D744-H746 PolarHBondContact O-N 3.04Å; D744-H746 VanDerWaalsContact O-N 3.15Å; D744-H746 PolarHBondContact O-ND1 2.99Å
745	H	88.6	Confident	93.2	Very high	97 Å²	97	35 Å²	35	45%	0.449	19%	0.187	S	C	.	.			trans	-69.4	112	-177.7	178.7	67.4	0	0	0	112.3	S747	H745-S747 PolarHBondContact O-N 2.75Å
746	H	90.3	Very high	93.6	Very high	53 Å²	53	33.9 Å²	33.9	25%	0.245	18%	0.181	C	C	.	.			trans	-78.6	103.1	176	-71.2	54.3	0	0	0	111	F741 D744 W766	F741-H746 PolarHBondContact O-CE1 3.16Å; D744-H746 PolarHBondContact O-N 3.04Å; D744-H746 VanDerWaalsContact O-N 3.15Å; D744-H746 PolarHBondContact O-ND1 2.99Å; H746-W766 HydrophobicContact CB-CH2 4.15Å; H746-W766 HydrophobicContact CB-CZ2 3.75Å; H746-W766 AromaticContact CD2-CE3 3.81Å; H746-W766 AromaticContact CD2-CH2 3.53Å; H746-W766 AromaticContact CD2-CZ2 3.87Å; H746-W766 AromaticContact CD2-CZ3 3.49Å; H746-W766 VanDerWaalsContact CD2-CZ3 3.49Å; H746-W766 WeakPolarHBondContact CD2-CZ3 3.28Å; H746-W766 PolarHBondContact CD2-O 3.03Å; H746-W766 AromaticContact CG-CH2 3.95Å; H746-W766 AromaticContact NE2-CZ3 3.99Å
747	S	91.7	Very high	93.8	Very high	26 Å²	26	33.8 Å²	33.8	18%	0.182	18%	0.181	C	C	.	.			trans	-55.4	137.5	174.9	-70.3	0	0	0	0	111.6	A440 H745 I749 W766	A440-S747 WeakPolarHBondContact CB-OG 3.39Å; H745-S747 PolarHBondContact O-N 2.75Å; S747-I749 VanDerWaalsContact C-N 3.28Å; S747-I749 PolarHBondContact O-N 2.91Å; S747-W766 PolarHBondContact O-NE1 2.82Å
748	T	93.1	Very high	94.3	Very high	47 Å²	47	32.5 Å²	32.5	29%	0.288	17%	0.167	S	C	.	.	S	Bend	trans	-61.6	-36.2	-173.6	-52.8	0	0	0	0	112.9	Q443 E763	Q443-T748 PolarHBondContact NE2-OG1 3.25Å; Q443-T748 PolarHBondContact OE1-OG1 3.43Å; T748-E763 HydrophobicContact CG2-CG 4.03Å
749	I	92.9	Very high	94.7	Very high	39 Å²	39	30.1 Å²	30.1	20%	0.2	15%	0.15	C	C	.	.	S	Bend	trans	-118.8	120	-179.8	-58.3	-62	0	0	0	109	T436 S747 R756	T436-I749 HydrophobicContact CG2-CB 4.28Å; T436-I749 HydrophobicContact CG2-CG2 3.9Å; T436-I749 WeakPolarHBondContact CG2-O 3.46Å; S747-I749 VanDerWaalsContact C-N 3.28Å; S747-I749 PolarHBondContact O-N 2.91Å; I749-R756 VanDerWaalsContact CG2-NH1 3.29Å
750	V	94.2	Very high	94.9	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	15%	0.145	C	C	.	.			trans	-129.3	177.6	174.1	-64.6	0	0	0	0	111.1	T697 R756 V760 W766	T697-V750 HydrophobicContact CG2-CG1 4.48Å; V750-R756 WeakPolarHBondContact O-CD 3.27Å; V750-R756 PolarHBondContact O-NE 3Å; V750-R756 PolarHBondContact O-NH2 3.28Å; V750-V760 HydrophobicContact CG2-CG1 3.91Å; V750-V760 HydrophobicContact CG2-CG2 3.97Å; V750-W766 HydrophobicContact CB-CZ2 4.42Å; V750-W766 HydrophobicContact CG1-CH2 4.13Å; V750-W766 HydrophobicContact CG1-CZ2 3.45Å; V750-W766 VanDerWaalsContact CG1-CZ2 3.45Å; V750-W766 HydrophobicContact CG2-CD2 3.93Å; V750-W766 HydrophobicContact CG2-CE3 4.5Å; V750-W766 HydrophobicContact CG2-CG 4.21Å; V750-W766 HydrophobicContact CG2-CZ2 4.13Å
751	S	95.8	Very high	95	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	14%	0.139	C	C	.	.	S	Bend	trans	63.9	136.9	-179.8	-34.9	0	0	0	0	116.1	T697 R756	T697-S751 WeakPolarHBondContact O-CA 3.5Å; T697-S751 WeakPolarHBondContact O-CB 3.42Å; T697-S751 PolarHBondContact O-N 3.36Å; T697-S751 PolarHBondContact O-OG 3Å; S751-R756 PolarHBondContact O-NE 3.13Å; S751-R756 VanDerWaalsContact O-NE 3.08Å; S751-R756 PolarHBondContact O-NH2 3.15Å
752	T	94.1	Very high	95.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.135	C	C	.	.			trans	-58.6	137	167.5	-67.6	0	0	0	0	110	T429 N433 D698 K700 H754 Y755 R756	T429-T752 HydrophobicContact CG2-CG2 3.81Å; N433-T752 PolarHBondContact ND2-OG1 3.2Å; D698-T752 WeakPolarHBondContact OD1-CA 3.4Å; D698-T752 WeakPolarHBondContact OD1-CB 3.39Å; D698-T752 PolarHBondContact OD1-N 3.14Å; D698-T752 PolarHBondContact OD1-OG1 3.27Å; D698-T752 PolarHBondContact OD2-OG1 3.32Å; K700-T752 HydrophobicContact CD-CG2 4.43Å; T752-H754 VanDerWaalsContact C-N 3.33Å; T752-H754 PolarHBondContact O-N 3.44Å; T752-Y755 HydrophobicContact CG2-CD2 4.1Å; T752-Y755 HydrophobicContact CG2-CE2 3.84Å; T752-Y755 PolarHBondContact O-N 2.93Å; T752-R756 PolarHBondContact O-N 3.47Å
753	R	96.8	Very high	95.2	Very high	22 Å²	22	29.2 Å²	29.2	8%	0.083	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-44	-45	-162	167.1	59.8	81.5	-162.4	14.7	116	Y755 T791 H792 N794 H797	R753-Y755 VanDerWaalsContact C-N 3.29Å; R753-Y755 PolarHBondContact O-N 2.77Å; R753-T791 WeakPolarHBondContact CG-O 3.43Å; R753-H792 PolarHBondContact NE-O 3.43Å; R753-H792 VanDerWaalsContact NE-O 3.11Å; R753-H792 PolarHBondContact NH2-O 2.91Å; R753-N794 VanDerWaalsContact CZ-OD1 3.24Å; R753-N794 PolarHBondContact NH1-OD1 3.05Å; R753-N794 PolarHBondContact NH2-OD1 3.41Å; R753-H797 PolarHBondContact O-CE1 3Å; R753-H797 VanDerWaalsContact O-CE1 3.27Å
754	H	97.6	Very high	95.5	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.056	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-73	-19.6	-172.5	-45.5	122.1	0	0	0	114	T752 T787 F789 Q790	T752-H754 VanDerWaalsContact C-N 3.33Å; T752-H754 PolarHBondContact O-N 3.44Å; H754-T787 HydrophobicContact CB-CG2 3.88Å; H754-F789 PolarHBondContact CD2-O 2.86Å; H754-Q790 PolarHBondContact NE2-NE2 3.44Å
755	Y	98.6	Very high	95.7	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.012	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-109	-4	-175.9	-34.7	-71.2	0	0	0	112	K700 P701 E702 T752 R753 A757 W773 S774 C777 I778	K700-Y755 HydrophobicContact CB-CD2 3.62Å; K700-Y755 HydrophobicContact CB-CE2 3.28Å; P701-Y755 VanDerWaalsContact CD-CZ 3.43Å; P701-Y755 VanDerWaalsContact CD-OH 3.26Å; P701-Y755 WeakPolarHBondContact CD-OH 3.26Å; P701-Y755 HydrophobicContact CG-CE1 4.35Å; E702-Y755 PolarHBondContact OE2-OH 2.93Å; T752-Y755 HydrophobicContact CG2-CD2 4.1Å; T752-Y755 HydrophobicContact CG2-CE2 3.84Å; T752-Y755 PolarHBondContact O-N 2.93Å; R753-Y755 VanDerWaalsContact C-N 3.29Å; R753-Y755 PolarHBondContact O-N 2.77Å; Y755-A757 PolarHBondContact O-N 3.48Å; Y755-W773 VanDerWaalsContact O-CD1 3.27Å; Y755-S774 PolarHBondContact O-OG 3.04Å; Y755-S774 VanDerWaalsContact O-OG 3.12Å; Y755-C777 HydrophobicContact CD1-CB 3.95Å; Y755-I778 HydrophobicContact CD1-CG1 4.24Å
756	R	98.6	Very high	96.1	Very high	9 Å²	9	22 Å²	22	3%	0.034	12%	0.124	C	C	.	.			trans	-66.3	124.7	-176.1	-171.8	179	-65	174.7	-2.8	112.8	I749 V750 S751 T752 V760 I761 W773	I749-R756 VanDerWaalsContact CG2-NH1 3.29Å; V750-R756 WeakPolarHBondContact O-CD 3.27Å; V750-R756 PolarHBondContact O-NE 3Å; V750-R756 PolarHBondContact O-NH2 3.28Å; S751-R756 PolarHBondContact O-NE 3.13Å; S751-R756 VanDerWaalsContact O-NE 3.08Å; S751-R756 PolarHBondContact O-NH2 3.15Å; T752-R756 PolarHBondContact O-N 3.47Å; R756-V760 HydrophobicContact CG-CB 3.88Å; R756-V760 HydrophobicContact CG-CG1 3.89Å; R756-I761 HydrophobicContact CG-CG1 3.94Å; R756-W773 PolarHBondContact O-NE1 3.21Å
757	A	98.7	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.			trans	-68.5	153.1	-179.8	0	0	0	0	0	113.9	Y755 E759 V760 I761 C770 W773	Y755-A757 PolarHBondContact O-N 3.48Å; A757-E759 VanDerWaalsContact CB-OE1 3.22Å; A757-E759 WeakPolarHBondContact CB-OE1 3.48Å; A757-E759 PolarHBondContact O-N 3.25Å; A757-V760 HydrophobicContact CB-CG2 4.33Å; A757-V760 WeakPolarHBondContact O-CB 3.19Å; A757-V760 PolarHBondContact O-N 3.13Å; A757-I761 PolarHBondContact O-N 2.89Å; A757-C770 HydrophobicContact CB-CB 3.86Å; A757-W773 HydrophobicContact CB-CB 3.77Å; A757-W773 HydrophobicContact CB-CD2 4.32Å; A757-W773 HydrophobicContact CB-CG 3.73Å
758	P	98.4	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-37.6	-175.8	24.1	-33.8	0	0	0	112.7	V760 I761 L762 W773 M801 M812 Y869	P758-V760 PolarHBondContact O-N 2.98Å; P758-I761 PolarHBondContact O-N 2.79Å; P758-I761 VanDerWaalsContact O-N 3.15Å; P758-L762 VanDerWaalsContact O-CB 3.24Å; P758-L762 WeakPolarHBondContact O-CB 3.21Å; P758-L762 WeakPolarHBondContact O-CG 3.46Å; P758-L762 PolarHBondContact O-N 3.04Å; P758-W773 VanDerWaalsContact CD-CD2 3.46Å; P758-W773 VanDerWaalsContact CD-CE3 3.43Å; P758-W773 HydrophobicContact CG-CD2 4.48Å; P758-W773 HydrophobicContact CG-CE3 3.99Å; P758-W773 HydrophobicContact CG-CH2 3.92Å; P758-W773 HydrophobicContact CG-CZ2 4.43Å; P758-W773 HydrophobicContact CG-CZ3 3.67Å; P758-M801 HydrophobicContact CB-CE 4.45Å; P758-M801 HydrophobicContact CB-SD 4Å; P758-M812 HydrophobicContact CB-CE 4.45Å; P758-M812 HydrophobicContact CG-CE 4.45Å; P758-Y869 HydrophobicContact CB-CD1 4.17Å; P758-Y869 HydrophobicContact CG-CD1 4.01Å
759	E	98.5	Very high	97.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-30.3	177.8	64.4	-82.1	-173.1	0	0	113.5	A757 E763 L764 W766 P871 R874	A757-E759 VanDerWaalsContact CB-OE1 3.22Å; A757-E759 WeakPolarHBondContact CB-OE1 3.48Å; A757-E759 PolarHBondContact O-N 3.25Å; E759-E763 PolarHBondContact O-N 3.01Å; E759-E763 VanDerWaalsContact O-N 3.16Å; E759-L764 HydrophobicContact CB-CB 4.19Å; E759-L764 HydrophobicContact CB-CD1 4.49Å; E759-L764 PolarHBondContact O-N 3.02Å; E759-W766 HydrophobicContact CG-CB 4.26Å; E759-P871 HydrophobicContact CB-CG 4.19Å; E759-P871 HydrophobicContact CG-CB 4.38Å; E759-P871 HydrophobicContact CG-CG 4.07Å; E759-R874 IonicContact OE1-CZ 2.73Å; E759-R874 IonicContact OE1-NH1 3.68Å; E759-R874 PolarHBondContact OE1-NH1 3.48Å; E759-R874 IonicContact OE1-NH2 2.81Å; E759-R874 IonicContact OE2-CZ 3.73Å; E759-R874 IonicContact OE2-NH1 3.83Å; E759-R874 PolarHBondContact OE2-NH1 3.26Å; E759-R874 IonicContact OE2-NH2 3.06Å; E759-R874 PolarHBondContact OE2-NH2 2.99Å
760	V	98	Very high	97.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-73.3	-44.2	173.2	-173.8	0	0	0	0	110.6	V750 R756 A757 P758 L762 E763 W766 C770	V750-V760 HydrophobicContact CG2-CG1 3.91Å; V750-V760 HydrophobicContact CG2-CG2 3.97Å; R756-V760 HydrophobicContact CG-CB 3.88Å; R756-V760 HydrophobicContact CG-CG1 3.89Å; A757-V760 HydrophobicContact CB-CG2 4.33Å; A757-V760 WeakPolarHBondContact O-CB 3.19Å; A757-V760 PolarHBondContact O-N 3.13Å; P758-V760 PolarHBondContact O-N 2.98Å; V760-L762 PolarHBondContact O-N 3.34Å; V760-E763 PolarHBondContact O-N 3.01Å; V760-W766 HydrophobicContact CG2-CB 3.82Å; V760-W766 HydrophobicContact CG2-CG 3.97Å; V760-C770 HydrophobicContact CG2-CB 4.25Å
761	I	97.7	Very high	97.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-64.8	-29	177.4	-60.6	168.9	0	0	0	111.5	R756 A757 P758 N794 H797 L798 M801 F820	R756-I761 HydrophobicContact CG-CG1 3.94Å; A757-I761 PolarHBondContact O-N 2.89Å; P758-I761 PolarHBondContact O-N 2.79Å; P758-I761 VanDerWaalsContact O-N 3.15Å; I761-N794 HydrophobicContact CG2-CB 4.02Å; I761-H797 HydrophobicContact CD1-CB 4.39Å; I761-H797 VanDerWaalsContact CD1-ND1 3.29Å; I761-H797 WeakPolarHBondContact CD1-ND1 3.49Å; I761-L798 HydrophobicContact CG2-CD1 4.1Å; I761-L798 HydrophobicContact CG2-CD2 4.11Å; I761-L798 HydrophobicContact CG2-CG 4.02Å; I761-M801 HydrophobicContact CD1-CE 3.52Å; I761-F820 HydrophobicContact CG2-CE2 4.43Å
762	L	97.2	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-0	-177.1	-65.8	179.8	0	0	0	114.2	P758 V760 L764 L798 I808 M812 S816 F821	P758-L762 VanDerWaalsContact O-CB 3.24Å; P758-L762 WeakPolarHBondContact O-CB 3.21Å; P758-L762 WeakPolarHBondContact O-CG 3.46Å; P758-L762 PolarHBondContact O-N 3.04Å; V760-L762 PolarHBondContact O-N 3.34Å; L762-L764 VanDerWaalsContact C-N 3.31Å; L762-L764 HydrophobicContact CB-CD1 3.88Å; L762-L764 HydrophobicContact CB-CD2 4.47Å; L762-L764 HydrophobicContact CB-CG 3.73Å; L762-L764 HydrophobicContact CD1-CD1 4.14Å; L762-L764 PolarHBondContact O-N 3.41Å; L762-L798 HydrophobicContact CD2-CD1 3.77Å; L762-L798 HydrophobicContact CD2-CD2 4.16Å; L762-L798 HydrophobicContact CG-CD2 4.32Å; L762-I808 HydrophobicContact CD1-CG2 4.36Å; L762-M812 HydrophobicContact CD1-CB 4.34Å; L762-M812 HydrophobicContact CD1-CE 4.27Å; L762-S816 WeakPolarHBondContact CA-OG 3.49Å; L762-S816 WeakPolarHBondContact O-CB 3.26Å; L762-S816 PolarHBondContact O-OG 3.45Å; L762-F821 HydrophobicContact CD2-CE2 3.45Å; L762-F821 VanDerWaalsContact CD2-CE2 3.45Å; L762-F821 HydrophobicContact CD2-CZ 3.74Å
763	E	96.6	Very high	97.9	Very high	97 Å²	97	18.3 Å²	18.3	45%	0.453	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	43.3	-179.6	-58.7	176.9	-178.6	0	0	112.8	T748 E759 V760 T818	T748-E763 HydrophobicContact CG2-CG 4.03Å; E759-E763 PolarHBondContact O-N 3.01Å; E759-E763 VanDerWaalsContact O-N 3.16Å; V760-E763 PolarHBondContact O-N 3.01Å; E763-T818 HydrophobicContact CG-CG2 4.17Å
764	L	96.5	Very high	98	Very high	56 Å²	56	17.3 Å²	17.3	29%	0.293	10%	0.101	S	C	.	.	S	Bend	trans	-92.5	-1.1	-177.6	-61	179.9	0	0	0	114	E759 L762 M812 K815	E759-L764 HydrophobicContact CB-CB 4.19Å; E759-L764 HydrophobicContact CB-CD1 4.49Å; E759-L764 PolarHBondContact O-N 3.02Å; L762-L764 VanDerWaalsContact C-N 3.31Å; L762-L764 HydrophobicContact CB-CD1 3.88Å; L762-L764 HydrophobicContact CB-CD2 4.47Å; L762-L764 HydrophobicContact CB-CG 3.73Å; L762-L764 HydrophobicContact CD1-CD1 4.14Å; L762-L764 PolarHBondContact O-N 3.41Å; L764-M812 HydrophobicContact CD1-CB 3.87Å; L764-M812 HydrophobicContact CD1-CE 3.85Å; L764-M812 HydrophobicContact CD1-CG 4.1Å; L764-K815 HydrophobicContact CD2-CB 3.52Å
765	G	95.4	Very high	98.1	Very high	49 Å²	49	16.7 Å²	16.7	51%	0.505	10%	0.098	S	C	.	.			trans	85.1	157.4	-159.9	0	0	0	0	0	111.4
766	W	98	Very high	98.1	Very high	26 Å²	26	16.6 Å²	16.6	10%	0.098	10%	0.098	C	C	.	.			trans	-147.9	159.6	178.3	58	-97.7	0	0	0	109.7	T695 T697 T740 H746 S747 V750 E759 V760 C770	T695-W766 HydrophobicContact CG2-CE3 4.25Å; T695-W766 HydrophobicContact CG2-CZ3 4.03Å; T697-W766 HydrophobicContact CG2-CE3 4.32Å; T697-W766 HydrophobicContact CG2-CH2 3.57Å; T697-W766 HydrophobicContact CG2-CZ2 4.46Å; T697-W766 HydrophobicContact CG2-CZ3 3.49Å; T697-W766 VanDerWaalsContact CG2-CZ3 3.49Å; T740-W766 HydrophobicContact CG2-CH2 4.03Å; H746-W766 HydrophobicContact CB-CH2 4.15Å; H746-W766 HydrophobicContact CB-CZ2 3.75Å; H746-W766 AromaticContact CD2-CE3 3.81Å; H746-W766 AromaticContact CD2-CH2 3.53Å; H746-W766 AromaticContact CD2-CZ2 3.87Å; H746-W766 AromaticContact CD2-CZ3 3.49Å; H746-W766 VanDerWaalsContact CD2-CZ3 3.49Å; H746-W766 WeakPolarHBondContact CD2-CZ3 3.28Å; H746-W766 PolarHBondContact CD2-O 3.03Å; H746-W766 AromaticContact CG-CH2 3.95Å; H746-W766 AromaticContact NE2-CZ3 3.99Å; S747-W766 PolarHBondContact O-NE1 2.82Å; V750-W766 HydrophobicContact CB-CZ2 4.42Å; V750-W766 HydrophobicContact CG1-CH2 4.13Å; V750-W766 HydrophobicContact CG1-CZ2 3.45Å; V750-W766 VanDerWaalsContact CG1-CZ2 3.45Å; V750-W766 HydrophobicContact CG2-CD2 3.93Å; V750-W766 HydrophobicContact CG2-CE3 4.5Å; V750-W766 HydrophobicContact CG2-CG 4.21Å; V750-W766 HydrophobicContact CG2-CZ2 4.13Å; E759-W766 HydrophobicContact CG-CB 4.26Å; V760-W766 HydrophobicContact CG2-CB 3.82Å; V760-W766 HydrophobicContact CG2-CG 3.97Å; W766-C770 HydrophobicContact CB-CB 4.34Å
767	S	97.9	Very high	98.1	Very high	41 Å²	41	16.2 Å²	16.2	29%	0.287	10%	0.097	S	C	.	.			trans	-156.2	-154.5	167.6	76.4	0	0	0	0	107.4	P769 C770	S767-P769 VanDerWaalsContact C-N 3.27Å; S767-P769 VanDerWaalsContact O-CD 3.25Å; S767-P769 WeakPolarHBondContact O-CD 3.33Å; S767-P769 WeakPolarHBondContact OG-CD 3.2Å; S767-C770 PolarHBondContact O-N 3.48Å; S767-C770 PolarHBondContact O-SG 2.85Å
768	Q	98.3	Very high	98.1	Very high	36 Å²	36	16.2 Å²	16.2	17%	0.168	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-35	-41.4	179.9	-59.6	86.7	-7.7	0	0	116.6	H690 T695 D742 C770 D771	H690-Q768 HydrophobicContact CB-CB 4.34Å; H690-Q768 HydrophobicContact CB-CG 3.9Å; H690-Q768 PolarHBondContact CE1-O 2.84Å; H690-Q768 PolarHBondContact NE2-O 3.21Å; T695-Q768 PolarHBondContact OG1-N 2.97Å; T695-Q768 VanDerWaalsContact OG1-N 3.11Å; D742-Q768 VanDerWaalsContact CG-NE2 3.26Å; D742-Q768 PolarHBondContact OD1-NE2 3.29Å; D742-Q768 PolarHBondContact OD2-NE2 3.28Å; Q768-C770 PolarHBondContact O-N 3.12Å; Q768-C770 VanDerWaalsContact O-N 3.11Å; Q768-D771 WeakPolarHBondContact O-CB 3.41Å; Q768-D771 PolarHBondContact O-N 3.5Å; Q768-D771 VanDerWaalsContact O-N 3.16Å
769	P	98.7	Very high	98.1	Very high	27 Å²	27	16.2 Å²	16.2	18%	0.175	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-20.3	-179.4	-26.2	37.4	0	0	0	115.3	S767 D771 V772 W773 P871 R874	S767-P769 VanDerWaalsContact C-N 3.27Å; S767-P769 VanDerWaalsContact O-CD 3.25Å; S767-P769 WeakPolarHBondContact O-CD 3.33Å; S767-P769 WeakPolarHBondContact OG-CD 3.2Å; P769-D771 VanDerWaalsContact C-N 3.31Å; P769-V772 WeakPolarHBondContact O-CB 3.33Å; P769-V772 PolarHBondContact O-N 2.65Å; P769-W773 PolarHBondContact O-N 2.96Å; P769-P871 HydrophobicContact CB-CB 3.57Å; P769-P871 WeakPolarHBondContact CB-O 3.38Å; P769-P871 HydrophobicContact CG-CB 3.94Å; P769-P871 VanDerWaalsContact CG-O 3.25Å; P769-P871 WeakPolarHBondContact CG-O 3.4Å; P769-R874 VanDerWaalsContact C-NH1 3.32Å; P769-R874 WeakPolarHBondContact O-CD 3.35Å; P769-R874 PolarHBondContact O-NH1 3.41Å
770	C	98.6	Very high	98.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.2	-29.8	178.2	74	0	0	0	0	112.3	A757 V760 W766 S767 Q768 S774	A757-C770 HydrophobicContact CB-CB 3.86Å; V760-C770 HydrophobicContact CG2-CB 4.25Å; W766-C770 HydrophobicContact CB-CB 4.34Å; S767-C770 PolarHBondContact O-N 3.48Å; S767-C770 PolarHBondContact O-SG 2.85Å; Q768-C770 PolarHBondContact O-N 3.12Å; Q768-C770 VanDerWaalsContact O-N 3.11Å; C770-S774 PolarHBondContact O-N 2.72Å; C770-S774 VanDerWaalsContact O-N 3.09Å; C770-S774 PolarHBondContact O-OG 2.98Å
771	D	98.8	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.1	-39.3	170.4	-72.8	-23.5	0	0	0	110.8	V686 H690 T695 H696 T697 L699 Q768 P769 W773 S774 I775	V686-D771 HydrophobicContact CG1-CB 3.91Å; H690-D771 IonicContact CD2-OD2 3.18Å; H690-D771 IonicContact CE1-OD2 2.73Å; H690-D771 IonicContact NE2-OD2 2.92Å; H690-D771 PolarHBondContact NE2-OD2 3.38Å; T695-D771 WeakPolarHBondContact CG2-OD2 3.18Å; H696-D771 PolarHBondContact N-OD1 3.12Å; H696-D771 PolarHBondContact N-OD2 2.71Å; T697-D771 PolarHBondContact N-OD1 3.42Å; L699-D771 HydrophobicContact CD1-CB 3.58Å; Q768-D771 WeakPolarHBondContact O-CB 3.41Å; Q768-D771 PolarHBondContact O-N 3.5Å; Q768-D771 VanDerWaalsContact O-N 3.16Å; P769-D771 VanDerWaalsContact C-N 3.31Å; D771-W773 PolarHBondContact O-N 3Å; D771-S774 WeakPolarHBondContact O-CA 3.16Å; D771-S774 WeakPolarHBondContact O-CB 3.49Å; D771-S774 PolarHBondContact O-N 3.15Å; D771-S774 VanDerWaalsContact O-N 3.13Å; D771-I775 VanDerWaalsContact O-CG1 3.31Å; D771-I775 WeakPolarHBondContact O-CG1 3.29Å; D771-I775 PolarHBondContact O-N 3.26Å
772	V	98.9	Very high	98.2	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.024	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-43.3	178.1	-176.3	0	0	0	0	111.4	P769 S774 I775 G776 M866 R874 I875 L877	P769-V772 WeakPolarHBondContact O-CB 3.33Å; P769-V772 PolarHBondContact O-N 2.65Å; V772-S774 VanDerWaalsContact C-N 3.32Å; V772-S774 PolarHBondContact O-N 2.81Å; V772-I775 PolarHBondContact O-N 3.24Å; V772-G776 PolarHBondContact O-N 3.14Å; V772-M866 HydrophobicContact CG1-CB 4.02Å; V772-M866 HydrophobicContact CG1-CG 3.8Å; V772-R874 HydrophobicContact CB-CG 4.37Å; V772-R874 HydrophobicContact CG1-CG 3.99Å; V772-I875 HydrophobicContact CG1-CG2 4.27Å; V772-I875 WeakPolarHBondContact CG1-O 3.49Å; V772-L877 HydrophobicContact CG1-CD2 4.39Å; V772-L877 HydrophobicContact CG2-CD2 3.96Å; V772-L877 HydrophobicContact CG2-CG 3.97Å
773	W	98.9	Very high	98.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-42.9	173.4	178.5	-74.1	0	0	0	111.4	Y755 R756 A757 P758 P769 D771 I775 G776 C777 F789 M801 L805 M866 L867 Y869	Y755-W773 VanDerWaalsContact O-CD1 3.27Å; R756-W773 PolarHBondContact O-NE1 3.21Å; A757-W773 HydrophobicContact CB-CB 3.77Å; A757-W773 HydrophobicContact CB-CD2 4.32Å; A757-W773 HydrophobicContact CB-CG 3.73Å; P758-W773 VanDerWaalsContact CD-CD2 3.46Å; P758-W773 VanDerWaalsContact CD-CE3 3.43Å; P758-W773 HydrophobicContact CG-CD2 4.48Å; P758-W773 HydrophobicContact CG-CE3 3.99Å; P758-W773 HydrophobicContact CG-CH2 3.92Å; P758-W773 HydrophobicContact CG-CZ2 4.43Å; P758-W773 HydrophobicContact CG-CZ3 3.67Å; P769-W773 PolarHBondContact O-N 2.96Å; D771-W773 PolarHBondContact O-N 3Å; W773-I775 VanDerWaalsContact C-N 3.32Å; W773-I775 PolarHBondContact O-N 2.82Å; W773-G776 PolarHBondContact O-N 3.39Å; W773-G776 VanDerWaalsContact O-N 3.12Å; W773-C777 PolarHBondContact O-N 3.2Å; W773-F789 AromaticContact CZ2-CE2 3.78Å; W773-F789 HydrophobicContact CZ2-CE2 3.78Å; W773-F789 HydrophobicContact CZ2-CZ 4.29Å; W773-M801 HydrophobicContact CH2-CE 4.3Å; W773-M801 HydrophobicContact CH2-CG 4.38Å; W773-M801 HydrophobicContact CH2-SD 3.95Å; W773-M801 HydrophobicContact CZ2-CE 3.54Å; W773-M801 HydrophobicContact CZ2-CG 4.14Å; W773-M801 HydrophobicContact CZ2-SD 3.77Å; W773-L805 HydrophobicContact CH2-CD1 3.45Å; W773-L805 VanDerWaalsContact CH2-CD1 3.45Å; W773-L805 HydrophobicContact CZ2-CD1 4.2Å; W773-L805 HydrophobicContact CZ3-CD1 4.13Å; W773-M866 WeakPolarHBondContact CA-O 3.46Å; W773-L867 HydrophobicContact CD2-CD2 3.75Å; W773-L867 HydrophobicContact CE3-CB 4.43Å; W773-L867 HydrophobicContact CE3-CD2 4.1Å; W773-L867 HydrophobicContact CG-CD2 4.12Å; W773-L867 HydrophobicContact CH2-CD2 4.48Å; W773-L867 HydrophobicContact CZ2-CD2 4.13Å; W773-L867 HydrophobicContact CZ3-CB 4.31Å; W773-L867 HydrophobicContact CZ3-CD2 4.46Å; W773-L867 WeakPolarHBondContact CZ3-O 3.48Å; W773-Y869 HydrophobicContact CH2-CD1 4.45Å; W773-Y869 HydrophobicContact CH2-CE1 4.39Å; W773-Y869 HydrophobicContact CZ3-CD1 4.49Å
774	S	98.9	Very high	98.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.8	-43.8	176.3	-54.9	0	0	0	0	111.4	Y755 C770 D771 V772 G776 C777 I778	Y755-S774 PolarHBondContact O-OG 3.04Å; Y755-S774 VanDerWaalsContact O-OG 3.12Å; C770-S774 PolarHBondContact O-N 2.72Å; C770-S774 VanDerWaalsContact O-N 3.09Å; C770-S774 PolarHBondContact O-OG 2.98Å; D771-S774 WeakPolarHBondContact O-CA 3.16Å; D771-S774 WeakPolarHBondContact O-CB 3.49Å; D771-S774 PolarHBondContact O-N 3.15Å; D771-S774 VanDerWaalsContact O-N 3.13Å; V772-S774 VanDerWaalsContact C-N 3.32Å; V772-S774 PolarHBondContact O-N 2.81Å; S774-G776 PolarHBondContact O-N 2.71Å; S774-C777 PolarHBondContact O-N 3.13Å; S774-I778 WeakPolarHBondContact O-CD1 3.41Å; S774-I778 VanDerWaalsContact O-CG1 3.25Å; S774-I778 WeakPolarHBondContact O-CG1 3.42Å; S774-I778 PolarHBondContact O-N 2.67Å
775	I	98.9	Very high	98.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-45.1	173.3	-66.5	165.5	0	0	0	110.8	L682 V686 L699 D771 V772 W773 C777 I778 M779 M866 L877	L682-I775 HydrophobicContact CD2-CB 4.46Å; L682-I775 HydrophobicContact CD2-CG1 3.89Å; L682-I775 HydrophobicContact CD2-CG2 4.19Å; L682-I775 HydrophobicContact CG-CD1 4.36Å; L682-I775 HydrophobicContact CG-CG1 4.04Å; V686-I775 HydrophobicContact CB-CD1 4.14Å; V686-I775 HydrophobicContact CG1-CD1 4.16Å; V686-I775 HydrophobicContact CG2-CD1 4.24Å; L699-I775 HydrophobicContact CD1-CD1 4.14Å; L699-I775 HydrophobicContact CD1-CG1 3.9Å; D771-I775 VanDerWaalsContact O-CG1 3.31Å; D771-I775 WeakPolarHBondContact O-CG1 3.29Å; D771-I775 PolarHBondContact O-N 3.26Å; V772-I775 PolarHBondContact O-N 3.24Å; W773-I775 VanDerWaalsContact C-N 3.32Å; W773-I775 PolarHBondContact O-N 2.82Å; I775-C777 VanDerWaalsContact C-N 3.33Å; I775-C777 PolarHBondContact O-N 2.89Å; I775-I778 WeakPolarHBondContact O-CB 3.18Å; I775-I778 PolarHBondContact O-N 3.06Å; I775-M779 HydrophobicContact CG2-CG 4.22Å; I775-M779 HydrophobicContact CG2-SD 4.34Å; I775-M779 WeakPolarHBondContact O-CG 3.22Å; I775-M779 PolarHBondContact O-N 3.24Å; I775-M866 HydrophobicContact CB-SD 4.43Å; I775-M866 HydrophobicContact CG2-CE 3.81Å; I775-M866 HydrophobicContact CG2-SD 3.8Å; I775-L877 HydrophobicContact CD1-CD1 4.08Å; I775-L877 HydrophobicContact CD1-CD2 3.92Å
776	G	98.8	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-56.7	-42.7	175.5	0	0	0	0	0	113.4	V772 W773 S774 F780	V772-G776 PolarHBondContact O-N 3.14Å; W773-G776 PolarHBondContact O-N 3.39Å; W773-G776 VanDerWaalsContact O-N 3.12Å; S774-G776 PolarHBondContact O-N 2.71Å; G776-F780 PolarHBondContact O-N 3.18Å
777	C	98.8	Very high	98.2	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-65.6	-40	172.4	-76.3	0	0	0	0	112.7	Y755 W773 S774 I775 F780 E781	Y755-C777 HydrophobicContact CD1-CB 3.95Å; W773-C777 PolarHBondContact O-N 3.2Å; S774-C777 PolarHBondContact O-N 3.13Å; I775-C777 VanDerWaalsContact C-N 3.33Å; I775-C777 PolarHBondContact O-N 2.89Å; C777-F780 PolarHBondContact O-N 2.85Å; C777-E781 PolarHBondContact O-N 2.81Å
778	I	98.8	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-49.4	177.2	-69.8	162.1	0	0	0	110.4	L682 L699 P701 I704 Y755 S774 I775 F780 E781 L782	L682-I778 HydrophobicContact CD2-CD1 4.15Å; L682-I778 HydrophobicContact CD2-CG2 4.03Å; L699-I778 HydrophobicContact CB-CD1 4.11Å; P701-I778 HydrophobicContact CG-CG1 4.12Å; P701-I778 HydrophobicContact CG-CG2 4.34Å; I704-I778 HydrophobicContact CD1-CD1 4.31Å; I704-I778 HydrophobicContact CD1-CG2 4.22Å; Y755-I778 HydrophobicContact CD1-CG1 4.24Å; S774-I778 WeakPolarHBondContact O-CD1 3.41Å; S774-I778 VanDerWaalsContact O-CG1 3.25Å; S774-I778 WeakPolarHBondContact O-CG1 3.42Å; S774-I778 PolarHBondContact O-N 2.67Å; I775-I778 WeakPolarHBondContact O-CB 3.18Å; I775-I778 PolarHBondContact O-N 3.06Å; I778-F780 PolarHBondContact O-N 2.84Å; I778-E781 PolarHBondContact O-N 3.04Å; I778-L782 HydrophobicContact CG2-CD1 4.13Å; I778-L782 HydrophobicContact CG2-CG 4.06Å; I778-L782 WeakPolarHBondContact O-CG 3.38Å; I778-L782 PolarHBondContact O-N 3.35Å
779	M	98.7	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-53.8	-40.9	178.4	-68.8	-172.3	78.7	0	0	112.1	S679 I775 Y783 L859 L862 M863 M866 F885	S679-M779 WeakPolarHBondContact OG-CG 3.36Å; I775-M779 HydrophobicContact CG2-CG 4.22Å; I775-M779 HydrophobicContact CG2-SD 4.34Å; I775-M779 WeakPolarHBondContact O-CG 3.22Å; I775-M779 PolarHBondContact O-N 3.24Å; M779-Y783 WeakPolarHBondContact O-CB 3.18Å; M779-Y783 PolarHBondContact O-N 3.24Å; M779-L859 HydrophobicContact CB-CD1 4.46Å; M779-L859 HydrophobicContact CE-CD1 3.44Å; M779-L859 VanDerWaalsContact CE-CD1 3.44Å; M779-L862 HydrophobicContact CE-CD2 3.86Å; M779-L862 HydrophobicContact CE-CG 4.42Å; M779-L862 HydrophobicContact SD-CD2 4.27Å; M779-L862 HydrophobicContact SD-CG 4.42Å; M779-M863 HydrophobicContact CB-CG 3.79Å; M779-M863 HydrophobicContact CB-SD 3.76Å; M779-M863 HydrophobicContact SD-CG 4.27Å; M779-M866 HydrophobicContact SD-CE 3.98Å; M779-M866 HydrophobicContact SD-SD 3.52Å; M779-F885 HydrophobicContact CE-CD1 4Å; M779-F885 HydrophobicContact CE-CE1 3.64Å
780	F	98.6	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.7	-43.3	175.5	178.6	-85.1	0	0	0	112.3	G776 C777 I778 Y783 T784 Y786 L788 L845 Y848 M863	G776-F780 PolarHBondContact O-N 3.18Å; C777-F780 PolarHBondContact O-N 2.85Å; I778-F780 PolarHBondContact O-N 2.84Å; F780-Y783 PolarHBondContact O-N 3.15Å; F780-T784 HydrophobicContact CD1-CG2 4.16Å; F780-T784 HydrophobicContact CD2-CG2 4.21Å; F780-T784 HydrophobicContact CE1-CG2 3.77Å; F780-T784 WeakPolarHBondContact CE1-OG1 3.4Å; F780-T784 HydrophobicContact CE2-CG2 3.85Å; F780-T784 HydrophobicContact CG-CG2 4.37Å; F780-T784 HydrophobicContact CZ-CG2 3.62Å; F780-T784 WeakPolarHBondContact O-CB 3.44Å; F780-T784 WeakPolarHBondContact O-CG2 3.37Å; F780-T784 PolarHBondContact O-N 3.39Å; F780-T784 PolarHBondContact O-OG1 2.97Å; F780-Y786 WeakPolarHBondContact CD1-O 3.11Å; F780-Y786 HydrophobicContact CE1-CD2 4.06Å; F780-Y786 AromaticContact CE1-CE2 3.78Å; F780-Y786 HydrophobicContact CE1-CE2 3.78Å; F780-Y786 WeakPolarHBondContact CE1-O 3.45Å; F780-Y786 AromaticContact CZ-CE2 3.96Å; F780-Y786 HydrophobicContact CZ-CE2 3.96Å; F780-L788 HydrophobicContact CB-CB 4.39Å; F780-L788 HydrophobicContact CD1-CB 3.61Å; F780-L788 HydrophobicContact CD1-CD1 3.99Å; F780-L788 HydrophobicContact CD1-CG 4.33Å; F780-L788 HydrophobicContact CD2-CD1 3.79Å; F780-L788 HydrophobicContact CE1-CB 4Å; F780-L788 HydrophobicContact CE1-CD1 3.86Å; F780-L788 HydrophobicContact CE2-CD1 3.62Å; F780-L788 HydrophobicContact CG-CB 3.99Å; F780-L788 HydrophobicContact CG-CD1 3.95Å; F780-L788 HydrophobicContact CG-CD2 4.49Å; F780-L788 HydrophobicContact CG-CG 4.36Å; F780-L788 HydrophobicContact CZ-CD1 3.65Å; F780-L845 HydrophobicContact CD2-CD1 4.13Å; F780-L845 HydrophobicContact CE2-CD1 4.37Å; F780-Y848 AromaticContact CE2-CD1 3.82Å; F780-Y848 HydrophobicContact CE2-CD1 3.82Å; F780-Y848 AromaticContact CE2-CD2 3.79Å; F780-Y848 HydrophobicContact CE2-CD2 3.79Å; F780-Y848 HydrophobicContact CE2-CE1 4.38Å; F780-Y848 HydrophobicContact CE2-CE2 4.34Å; F780-Y848 AromaticContact CE2-CG 3.5Å; F780-Y848 HydrophobicContact CE2-CG 3.5Å; F780-Y848 VanDerWaalsContact CE2-CG 3.5Å; F780-Y848 AromaticContact CZ-CD1 3.52Å; F780-Y848 HydrophobicContact CZ-CD1 3.52Å; F780-Y848 HydrophobicContact CZ-CD2 4.16Å; F780-Y848 AromaticContact CZ-CE1 3.79Å; F780-Y848 HydrophobicContact CZ-CE1 3.79Å; F780-Y848 HydrophobicContact CZ-CE2 4.37Å; F780-Y848 AromaticContact CZ-CG 3.73Å; F780-Y848 HydrophobicContact CZ-CG 3.73Å; F780-M863 VanDerWaalsContact CA-SD 3.59Å; F780-M863 HydrophobicContact CB-SD 3.81Å; F780-M863 PolarHBondContact N-SD 2.52Å; F780-M863 VanDerWaalsContact N-SD 3.36Å
781	E	98.3	Very high	97.8	Very high	6 Å²	6	9.1 Å²	9.1	3%	0.028	4%	0.042	C	C	.	.	H	α-helix	trans	-70.9	-37.9	178.9	-178.6	148.4	-146.5	0	0	112.1	L662 C777 I778 Y783 G785 Y786 T787	L662-E781 HydrophobicContact CD2-CG 4.18Å; C777-E781 PolarHBondContact O-N 2.81Å; I778-E781 PolarHBondContact O-N 3.04Å; E781-Y783 VanDerWaalsContact C-N 3.32Å; E781-Y783 PolarHBondContact O-N 3.28Å; E781-G785 VanDerWaalsContact O-CA 3.29Å; E781-G785 WeakPolarHBondContact O-CA 3.39Å; E781-G785 PolarHBondContact O-N 3.41Å; E781-Y786 WeakPolarHBondContact CA-O 3.22Å; E781-T787 VanDerWaalsContact CD-N 3.29Å; E781-T787 WeakPolarHBondContact OE1-CG2 3.43Å; E781-T787 PolarHBondContact OE1-N 3.2Å; E781-T787 WeakPolarHBondContact OE2-CG2 3.41Å
782	L	98.3	Very high	97.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-57.5	-46.1	171	-63.1	-176.2	0	0	0	111	V658 G669 Y670 V675 I678 I778	V658-L782 HydrophobicContact CG1-CD2 3.31Å; G669-L782 CarbonylContact C-O 3.49Å; G669-L782 VanDerWaalsContact CA-O 3.27Å; G669-L782 WeakPolarHBondContact CA-O 3.37Å; Y670-L782 HydrophobicContact CD2-CB 4.3Å; Y670-L782 HydrophobicContact CD2-CD2 3.96Å; Y670-L782 HydrophobicContact CE2-CD2 3.88Å; Y670-L782 PolarHBondContact N-O 2.92Å; V675-L782 HydrophobicContact CG1-CB 4.28Å; V675-L782 HydrophobicContact CG2-CB 4.2Å; I678-L782 HydrophobicContact CB-CD1 4.09Å; I678-L782 HydrophobicContact CG2-CD1 3.65Å; I778-L782 HydrophobicContact CG2-CD1 4.13Å; I778-L782 HydrophobicContact CG2-CG 4.06Å; I778-L782 WeakPolarHBondContact O-CG 3.38Å; I778-L782 PolarHBondContact O-N 3.35Å
783	Y	97.9	Very high	97.4	Very high	7 Å²	7	15.2 Å²	15.2	3%	0.027	7%	0.073	C	C	.	.	H	α-helix	trans	-69.1	-51.2	178.4	179.5	-105	0	0	0	112.2	M672 M779 F780 E781 K850 T856 L859 F860	M672-Y783 HydrophobicContact CE-CD2 4.09Å; M672-Y783 HydrophobicContact CE-CE2 3.65Å; M779-Y783 WeakPolarHBondContact O-CB 3.18Å; M779-Y783 PolarHBondContact O-N 3.24Å; F780-Y783 PolarHBondContact O-N 3.15Å; E781-Y783 VanDerWaalsContact C-N 3.32Å; E781-Y783 PolarHBondContact O-N 3.28Å; Y783-K850 HydrophobicContact CE1-CD 3.89Å; Y783-K850 HydrophobicContact CE1-CG 3.84Å; Y783-K850 HydrophobicContact CE2-CD 4.33Å; Y783-K850 PolarHBondContact O-NZ 3.38Å; Y783-K850 WeakPolarHBondContact OH-CB 3.32Å; Y783-K850 WeakPolarHBondContact OH-CG 3.33Å; Y783-K850 PolarHBondContact OH-N 3.3Å; Y783-T856 WeakPolarHBondContact OH-CG2 3.33Å; Y783-T856 PolarHBondContact OH-OG1 3.26Å; Y783-L859 HydrophobicContact CD2-CD2 3.51Å; Y783-L859 HydrophobicContact CE2-CD2 4.03Å; Y783-L859 HydrophobicContact CG-CD2 3.8Å; Y783-F860 AromaticContact CD1-CE2 3.85Å; Y783-F860 HydrophobicContact CD1-CE2 3.85Å; Y783-F860 HydrophobicContact CD1-CZ 4.08Å; Y783-F860 AromaticContact CE1-CE2 3.59Å; Y783-F860 HydrophobicContact CE1-CE2 3.59Å; Y783-F860 AromaticContact CE1-CZ 3.94Å; Y783-F860 HydrophobicContact CE1-CZ 3.94Å
784	T	96.4	Very high	97.3	Very high	17 Å²	17	16.7 Å²	16.7	10%	0.104	8%	0.08	C	C	.	.	H	α-helix	trans	-84.9	-32.3	-169.7	61	0	0	0	0	114.4	F780 Y786	F780-T784 HydrophobicContact CD1-CG2 4.16Å; F780-T784 HydrophobicContact CD2-CG2 4.21Å; F780-T784 HydrophobicContact CE1-CG2 3.77Å; F780-T784 WeakPolarHBondContact CE1-OG1 3.4Å; F780-T784 HydrophobicContact CE2-CG2 3.85Å; F780-T784 HydrophobicContact CG-CG2 4.37Å; F780-T784 HydrophobicContact CZ-CG2 3.62Å; F780-T784 WeakPolarHBondContact O-CB 3.44Å; F780-T784 WeakPolarHBondContact O-CG2 3.37Å; F780-T784 PolarHBondContact O-N 3.39Å; F780-T784 PolarHBondContact O-OG1 2.97Å; T784-Y786 HydrophobicContact CG2-CE1 4.4Å; T784-Y786 PolarHBondContact OG1-N 2.98Å; T784-Y786 PolarHBondContact OG1-O 3.33Å
785	G	96.1	Very high	97.2	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	90	11.1	-168.5	0	0	0	0	0	114.8	Y667 E781	Y667-G785 WeakPolarHBondContact CD1-O 3.5Å; E781-G785 VanDerWaalsContact O-CA 3.29Å; E781-G785 WeakPolarHBondContact O-CA 3.39Å; E781-G785 PolarHBondContact O-N 3.41Å
786	Y	95.8	Very high	97.1	Very high	100 Å²	100	21.7 Å²	21.7	39%	0.392	10%	0.101	S	C	.	.	S	Bend	trans	-153	153.4	176.4	56.8	-93.2	0	0	0	113.4	F780 E781 T784 Y848	F780-Y786 WeakPolarHBondContact CD1-O 3.11Å; F780-Y786 HydrophobicContact CE1-CD2 4.06Å; F780-Y786 AromaticContact CE1-CE2 3.78Å; F780-Y786 HydrophobicContact CE1-CE2 3.78Å; F780-Y786 WeakPolarHBondContact CE1-O 3.45Å; F780-Y786 AromaticContact CZ-CE2 3.96Å; F780-Y786 HydrophobicContact CZ-CE2 3.96Å; E781-Y786 WeakPolarHBondContact CA-O 3.22Å; T784-Y786 HydrophobicContact CG2-CE1 4.4Å; T784-Y786 PolarHBondContact OG1-N 2.98Å; T784-Y786 PolarHBondContact OG1-O 3.33Å; Y786-Y848 HydrophobicContact CE2-CE1 4.24Å; Y786-Y848 WeakPolarHBondContact OH-CD1 3.24Å
787	T	97.6	Very high	97	Very high	12 Å²	12	21.7 Å²	21.7	7%	0.074	10%	0.101	C	C	.	.			trans	-53.4	140	177.1	56.1	0	0	0	0	113.6	H754 E781 Q790	H754-T787 HydrophobicContact CB-CG2 3.88Å; E781-T787 VanDerWaalsContact CD-N 3.29Å; E781-T787 WeakPolarHBondContact OE1-CG2 3.43Å; E781-T787 PolarHBondContact OE1-N 3.2Å; E781-T787 WeakPolarHBondContact OE2-CG2 3.41Å; T787-Q790 PolarHBondContact OG1-OE1 3.12Å; T787-Q790 VanDerWaalsContact OG1-OE1 3.12Å
788	L	98	Very high	97	Very high	7 Å²	7	21.6 Å²	21.6	4%	0.037	10%	0.1	C	C	.	.	S	Bend	trans	-66	-44.1	175.7	-178.8	55.9	0	0	0	112.3	F780 T804 L845 L867	F780-L788 HydrophobicContact CB-CB 4.39Å; F780-L788 HydrophobicContact CD1-CB 3.61Å; F780-L788 HydrophobicContact CD1-CD1 3.99Å; F780-L788 HydrophobicContact CD1-CG 4.33Å; F780-L788 HydrophobicContact CD2-CD1 3.79Å; F780-L788 HydrophobicContact CE1-CB 4Å; F780-L788 HydrophobicContact CE1-CD1 3.86Å; F780-L788 HydrophobicContact CE2-CD1 3.62Å; F780-L788 HydrophobicContact CG-CB 3.99Å; F780-L788 HydrophobicContact CG-CD1 3.95Å; F780-L788 HydrophobicContact CG-CD2 4.49Å; F780-L788 HydrophobicContact CG-CG 4.36Å; F780-L788 HydrophobicContact CZ-CD1 3.65Å; L788-T804 HydrophobicContact CD1-CG2 4.15Å; L788-L845 HydrophobicContact CD1-CD1 4.34Å; L788-L867 HydrophobicContact CD2-CD1 3.57Å
789	F	98	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-118.8	74.9	-174.6	-58.2	-57.2	0	0	0	111.9	H754 W773 T791 H797 M800 M801 T804 L805	H754-F789 PolarHBondContact CD2-O 2.86Å; W773-F789 AromaticContact CZ2-CE2 3.78Å; W773-F789 HydrophobicContact CZ2-CE2 3.78Å; W773-F789 HydrophobicContact CZ2-CZ 4.29Å; F789-T791 PolarHBondContact O-N 3.06Å; F789-H797 VanDerWaalsContact CB-CD2 3.48Å; F789-H797 WeakPolarHBondContact CB-CD2 3.36Å; F789-H797 WeakPolarHBondContact CB-NE2 3.33Å; F789-H797 AromaticContact CD2-NE2 3.31Å; F789-H797 VanDerWaalsContact CD2-NE2 3.31Å; F789-H797 WeakPolarHBondContact CD2-NE2 3.38Å; F789-H797 AromaticContact CG-CD2 3.65Å; F789-H797 AromaticContact CG-NE2 3.32Å; F789-H797 VanDerWaalsContact CG-NE2 3.32Å; F789-H797 WeakPolarHBondContact CG-NE2 3.42Å; F789-M800 HydrophobicContact CD1-CB 3.9Å; F789-M800 HydrophobicContact CE1-CB 4.48Å; F789-M801 HydrophobicContact CD1-CG 4.44Å; F789-M801 HydrophobicContact CE1-CB 4.42Å; F789-M801 HydrophobicContact CE1-CG 3.97Å; F789-M801 HydrophobicContact CE2-CG 4.18Å; F789-M801 HydrophobicContact CZ-CB 4.46Å; F789-M801 HydrophobicContact CZ-CG 3.82Å; F789-T804 HydrophobicContact CE1-CG2 4.39Å; F789-L805 HydrophobicContact CZ-CD1 4.19Å
790	Q	95.3	Very high	96.9	Very high	32 Å²	32	21.9 Å²	21.9	15%	0.15	10%	0.102	C	C	.	.			trans	-75.2	79.8	179.7	-169.6	66.1	95.2	0	0	113.1	H754 T787 Y837	H754-Q790 PolarHBondContact NE2-NE2 3.44Å; T787-Q790 PolarHBondContact OG1-OE1 3.12Å; T787-Q790 VanDerWaalsContact OG1-OE1 3.12Å; Q790-Y837 PolarHBondContact O-OH 2.97Å
791	T	94.7	Very high	96.9	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	10%	0.102	C	C	.	.			trans	-146.7	167.8	178.8	174.6	0	0	0	0	111.5	R753 F789 D793 E796 H797 M800	R753-T791 WeakPolarHBondContact CG-O 3.43Å; F789-T791 PolarHBondContact O-N 3.06Å; T791-D793 PolarHBondContact OG1-N 2.92Å; T791-D793 VanDerWaalsContact OG1-N 3.15Å; T791-E796 WeakPolarHBondContact CB-OE2 3.36Å; T791-E796 PolarHBondContact OG1-OE2 3.44Å; T791-H797 HydrophobicContact CG2-CB 3.6Å; T791-M800 VanDerWaalsContact CB-SD 3.56Å; T791-M800 HydrophobicContact CG2-SD 3.61Å
792	H	93.6	Very high	96.9	Very high	55 Å²	55	23.1 Å²	23.1	26%	0.255	11%	0.107	S	C	.	.	S	Bend	trans	-122.5	-6.2	169.1	-58.4	-76.8	0	0	0	114.5	R753	R753-H792 PolarHBondContact NE-O 3.43Å; R753-H792 VanDerWaalsContact NE-O 3.11Å; R753-H792 PolarHBondContact NH2-O 2.91Å
793	D	95.4	Very high	96.8	Very high	77 Å²	77	26.6 Å²	26.6	41%	0.412	12%	0.121	S	C	.	.	S	Bend	trans	-100.5	155.5	-178.8	172.6	55.2	0	0	0	112.4	T791 R795 E796 H797	T791-D793 PolarHBondContact OG1-N 2.92Å; T791-D793 VanDerWaalsContact OG1-N 3.15Å; D793-R795 WeakPolarHBondContact OD2-CA 3.46Å; D793-R795 WeakPolarHBondContact OD2-CB 3.37Å; D793-R795 PolarHBondContact OD2-N 3.13Å; D793-E796 HydrophobicContact CB-CB 4.05Å; D793-E796 PolarHBondContact OD2-N 3.23Å; D793-H797 VanDerWaalsContact O-CB 3.25Å; D793-H797 WeakPolarHBondContact O-CB 3.29Å; D793-H797 PolarHBondContact O-N 3.36Å
794	N	96.6	Very high	96.8	Very high	30 Å²	30	26.5 Å²	26.5	16%	0.16	12%	0.121	C	C	.	.	H	α-helix	trans	-75.5	-42.5	178.1	-76.9	6.2	0	0	0	113	R753 I761 H797 L798 F820	R753-N794 VanDerWaalsContact CZ-OD1 3.24Å; R753-N794 PolarHBondContact NH1-OD1 3.05Å; R753-N794 PolarHBondContact NH2-OD1 3.41Å; I761-N794 HydrophobicContact CG2-CB 4.02Å; N794-H797 PolarHBondContact O-N 2.92Å; N794-L798 WeakPolarHBondContact O-CG 3.31Å; N794-L798 PolarHBondContact O-N 3.33Å; N794-L798 VanDerWaalsContact O-N 3.14Å; N794-F820 HydrophobicContact CB-CD2 4.48Å; N794-F820 HydrophobicContact CB-CE1 4.42Å; N794-F820 HydrophobicContact CB-CE2 3.55Å; N794-F820 HydrophobicContact CB-CZ 3.51Å
795	R	95.9	Very high	96.9	Very high	74 Å²	74	28.1 Å²	28.1	28%	0.279	13%	0.129	S	C	.	.	H	α-helix	trans	-71.7	-42.2	-178.9	-70.4	177.6	163.9	-137.6	-2.7	110.8	D793 H797 L798 A799 G819 F820 D827 W828	D793-R795 WeakPolarHBondContact OD2-CA 3.46Å; D793-R795 WeakPolarHBondContact OD2-CB 3.37Å; D793-R795 PolarHBondContact OD2-N 3.13Å; R795-H797 VanDerWaalsContact C-N 3.34Å; R795-H797 PolarHBondContact O-N 3.05Å; R795-L798 PolarHBondContact O-N 2.78Å; R795-A799 PolarHBondContact O-N 3.23Å; R795-G819 PolarHBondContact NH2-O 2.89Å; R795-F820 HydrophobicContact CG-CB 4.26Å; R795-F820 HydrophobicContact CG-CD1 3.54Å; R795-F820 HydrophobicContact CG-CE1 4.04Å; R795-F820 HydrophobicContact CG-CG 3.92Å; R795-D827 IonicContact CZ-OD2 3.24Å; R795-D827 VanDerWaalsContact NH1-CG 3.33Å; R795-D827 PolarHBondContact NH1-O 3.4Å; R795-D827 IonicContact NH1-OD2 2.97Å; R795-D827 PolarHBondContact NH1-OD2 3.42Å; R795-D827 IonicContact NH2-OD2 3.26Å; R795-D827 PolarHBondContact NH2-OD2 3.03Å; R795-W828 HydrophobicContact CB-CE3 4.13Å; R795-W828 HydrophobicContact CB-CZ3 4.08Å
796	E	96.8	Very high	96.9	Very high	31 Å²	31	29.6 Å²	29.6	15%	0.145	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-43.4	173.4	-173.4	177.5	-126.7	0	0	111.3	T791 D793 L798 A799 M800 W828 Y837 V838	T791-E796 WeakPolarHBondContact CB-OE2 3.36Å; T791-E796 PolarHBondContact OG1-OE2 3.44Å; D793-E796 HydrophobicContact CB-CB 4.05Å; D793-E796 PolarHBondContact OD2-N 3.23Å; E796-L798 PolarHBondContact O-N 3.49Å; E796-A799 CarbonylContact O-C 3.46Å; E796-A799 WeakPolarHBondContact O-CB 3.32Å; E796-A799 PolarHBondContact O-N 3.02Å; E796-A799 VanDerWaalsContact O-N 3.14Å; E796-M800 HydrophobicContact CG-CG 4.4Å; E796-M800 HydrophobicContact CG-SD 4.3Å; E796-M800 VanDerWaalsContact O-CG 3.32Å; E796-M800 WeakPolarHBondContact O-CG 3.18Å; E796-M800 PolarHBondContact O-N 3.36Å; E796-W828 HydrophobicContact CB-CH2 3.7Å; E796-W828 HydrophobicContact CB-CZ3 4.07Å; E796-W828 HydrophobicContact CG-CH2 3.93Å; E796-Y837 VanDerWaalsContact OE1-CD1 3.22Å; E796-Y837 WeakPolarHBondContact OE1-CD1 3.39Å; E796-Y837 WeakPolarHBondContact OE1-CE1 3.42Å; E796-V838 HydrophobicContact CG-CG2 3.84Å
797	H	97.9	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-46.2	177	-161.9	174.7	0	0	0	112.1	R753 I761 F789 T791 D793 N794 R795 A799 M800 M801	R753-H797 PolarHBondContact O-CE1 3Å; R753-H797 VanDerWaalsContact O-CE1 3.27Å; I761-H797 HydrophobicContact CD1-CB 4.39Å; I761-H797 VanDerWaalsContact CD1-ND1 3.29Å; I761-H797 WeakPolarHBondContact CD1-ND1 3.49Å; F789-H797 VanDerWaalsContact CB-CD2 3.48Å; F789-H797 WeakPolarHBondContact CB-CD2 3.36Å; F789-H797 WeakPolarHBondContact CB-NE2 3.33Å; F789-H797 AromaticContact CD2-NE2 3.31Å; F789-H797 VanDerWaalsContact CD2-NE2 3.31Å; F789-H797 WeakPolarHBondContact CD2-NE2 3.38Å; F789-H797 AromaticContact CG-CD2 3.65Å; F789-H797 AromaticContact CG-NE2 3.32Å; F789-H797 VanDerWaalsContact CG-NE2 3.32Å; F789-H797 WeakPolarHBondContact CG-NE2 3.42Å; T791-H797 HydrophobicContact CG2-CB 3.6Å; D793-H797 VanDerWaalsContact O-CB 3.25Å; D793-H797 WeakPolarHBondContact O-CB 3.29Å; D793-H797 PolarHBondContact O-N 3.36Å; N794-H797 PolarHBondContact O-N 2.92Å; R795-H797 VanDerWaalsContact C-N 3.34Å; R795-H797 PolarHBondContact O-N 3.05Å; H797-A799 VanDerWaalsContact C-N 3.28Å; H797-A799 PolarHBondContact O-N 2.81Å; H797-M800 PolarHBondContact O-N 3.02Å; H797-M801 VanDerWaalsContact NE2-CE 3.28Å; H797-M801 WeakPolarHBondContact NE2-CE 3.25Å; H797-M801 WeakPolarHBondContact O-CG 3.28Å; H797-M801 PolarHBondContact O-N 2.97Å
798	L	98	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-34.5	175.7	-66	169.9	0	0	0	112.2	I761 L762 N794 R795 E796 M801 E802 I808 F820 F821 L826	I761-L798 HydrophobicContact CG2-CD1 4.1Å; I761-L798 HydrophobicContact CG2-CD2 4.11Å; I761-L798 HydrophobicContact CG2-CG 4.02Å; L762-L798 HydrophobicContact CD2-CD1 3.77Å; L762-L798 HydrophobicContact CD2-CD2 4.16Å; L762-L798 HydrophobicContact CG-CD2 4.32Å; N794-L798 WeakPolarHBondContact O-CG 3.31Å; N794-L798 PolarHBondContact O-N 3.33Å; N794-L798 VanDerWaalsContact O-N 3.14Å; R795-L798 PolarHBondContact O-N 2.78Å; E796-L798 PolarHBondContact O-N 3.49Å; L798-M801 HydrophobicContact CD2-SD 4.16Å; L798-M801 PolarHBondContact O-N 3.48Å; L798-E802 PolarHBondContact O-N 3.29Å; L798-I808 HydrophobicContact CB-CD1 4.06Å; L798-I808 HydrophobicContact CD2-CD1 3.9Å; L798-I808 HydrophobicContact CG-CD1 4.47Å; L798-F820 HydrophobicContact CD1-CB 4.22Å; L798-F820 HydrophobicContact CD1-CD2 3.56Å; L798-F820 HydrophobicContact CD1-CE2 4.36Å; L798-F820 HydrophobicContact CD1-CG 4.27Å; L798-F821 HydrophobicContact CD1-CE2 4.43Å; L798-F821 HydrophobicContact CD1-CZ 4.12Å; L798-L826 HydrophobicContact CB-CD1 3.67Å; L798-L826 HydrophobicContact CB-CD2 4.01Å; L798-L826 HydrophobicContact CD1-CD1 3.94Å; L798-L826 HydrophobicContact CG-CD1 4.47Å
799	A	97.8	Very high	96.8	Very high	1 Å²	1	33 Å²	33	1%	0.008	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-38.2	174.2	0	0	0	0	0	112.6	R795 E796 H797 E802 R803 L826 W828 V838	R795-A799 PolarHBondContact O-N 3.23Å; E796-A799 CarbonylContact O-C 3.46Å; E796-A799 WeakPolarHBondContact O-CB 3.32Å; E796-A799 PolarHBondContact O-N 3.02Å; E796-A799 VanDerWaalsContact O-N 3.14Å; H797-A799 VanDerWaalsContact C-N 3.28Å; H797-A799 PolarHBondContact O-N 2.81Å; A799-E802 PolarHBondContact O-N 3.32Å; A799-R803 WeakPolarHBondContact O-CB 3.48Å; A799-R803 PolarHBondContact O-N 3.49Å; A799-L826 HydrophobicContact CB-CD2 3.72Å; A799-W828 HydrophobicContact CB-CD2 3.57Å; A799-W828 VanDerWaalsContact CB-CE2 3.49Å; A799-W828 HydrophobicContact CB-CE3 4.09Å; A799-W828 HydrophobicContact CB-CG 3.85Å; A799-W828 HydrophobicContact CB-CH2 4.43Å; A799-W828 HydrophobicContact CB-CZ2 3.95Å; A799-W828 HydrophobicContact CB-CZ3 4.5Å; A799-V838 HydrophobicContact CB-CG1 4.3Å; A799-V838 HydrophobicContact CB-CG2 4.48Å
800	M	98.2	Very high	96.7	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-39.4	172.8	-66.4	177.8	85.3	0	0	111.5	F789 T791 E796 H797 T804 V838 C842	F789-M800 HydrophobicContact CD1-CB 3.9Å; F789-M800 HydrophobicContact CE1-CB 4.48Å; T791-M800 VanDerWaalsContact CB-SD 3.56Å; T791-M800 HydrophobicContact CG2-SD 3.61Å; E796-M800 HydrophobicContact CG-CG 4.4Å; E796-M800 HydrophobicContact CG-SD 4.3Å; E796-M800 VanDerWaalsContact O-CG 3.32Å; E796-M800 WeakPolarHBondContact O-CG 3.18Å; E796-M800 PolarHBondContact O-N 3.36Å; H797-M800 PolarHBondContact O-N 3.02Å; M800-T804 VanDerWaalsContact O-CB 3.25Å; M800-T804 WeakPolarHBondContact O-CB 3.15Å; M800-T804 PolarHBondContact O-N 3.36Å; M800-T804 PolarHBondContact O-OG1 3.31Å; M800-V838 HydrophobicContact CG-CB 4.49Å; M800-V838 HydrophobicContact CG-CG1 4.11Å; M800-V838 HydrophobicContact CG-CG2 3.8Å; M800-C842 WeakPolarHBondContact CE-SG 3.46Å
801	M	98.4	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-55.5	171.2	-67.3	-179.9	-174.7	0	0	110.5	P758 I761 W773 F789 H797 L798 R803 T804 L805 Y869	P758-M801 HydrophobicContact CB-CE 4.45Å; P758-M801 HydrophobicContact CB-SD 4Å; I761-M801 HydrophobicContact CD1-CE 3.52Å; W773-M801 HydrophobicContact CH2-CE 4.3Å; W773-M801 HydrophobicContact CH2-CG 4.38Å; W773-M801 HydrophobicContact CH2-SD 3.95Å; W773-M801 HydrophobicContact CZ2-CE 3.54Å; W773-M801 HydrophobicContact CZ2-CG 4.14Å; W773-M801 HydrophobicContact CZ2-SD 3.77Å; F789-M801 HydrophobicContact CD1-CG 4.44Å; F789-M801 HydrophobicContact CE1-CB 4.42Å; F789-M801 HydrophobicContact CE1-CG 3.97Å; F789-M801 HydrophobicContact CE2-CG 4.18Å; F789-M801 HydrophobicContact CZ-CB 4.46Å; F789-M801 HydrophobicContact CZ-CG 3.82Å; H797-M801 VanDerWaalsContact NE2-CE 3.28Å; H797-M801 WeakPolarHBondContact NE2-CE 3.25Å; H797-M801 WeakPolarHBondContact O-CG 3.28Å; H797-M801 PolarHBondContact O-N 2.97Å; L798-M801 HydrophobicContact CD2-SD 4.16Å; L798-M801 PolarHBondContact O-N 3.48Å; M801-R803 PolarHBondContact O-N 3.12Å; M801-T804 PolarHBondContact O-N 3.14Å; M801-L805 PolarHBondContact O-N 3.31Å; M801-Y869 HydrophobicContact CB-CE1 4.11Å; M801-Y869 WeakPolarHBondContact CB-OH 3.49Å; M801-Y869 PolarHBondContact O-OH 3.4Å; M801-Y869 HydrophobicContact SD-CE1 4.25Å
802	E	97.6	Very high	96.7	Very high	32 Å²	32	42.9 Å²	42.9	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-37.7	-179.1	-79.5	-146.2	135.4	0	0	112.6	L798 A799 T804 G806 H807 I808 Y869	L798-E802 PolarHBondContact O-N 3.29Å; A799-E802 PolarHBondContact O-N 3.32Å; E802-T804 PolarHBondContact O-N 2.88Å; E802-G806 VanDerWaalsContact CA-O 3.29Å; E802-G806 WeakPolarHBondContact CA-O 3.28Å; E802-G806 PolarHBondContact O-N 2.98Å; E802-H807 VanDerWaalsContact OE1-CA 3.29Å; E802-H807 WeakPolarHBondContact OE1-CA 3.48Å; E802-H807 IonicContact OE1-CE1 3.23Å; E802-H807 IonicContact OE1-CG 2.63Å; E802-H807 IonicContact OE1-ND1 2.66Å; E802-H807 PolarHBondContact OE1-ND1 2.84Å; E802-H807 IonicContact OE2-CE1 2.85Å; E802-H807 IonicContact OE2-ND1 2.96Å; E802-H807 PolarHBondContact OE2-ND1 3.48Å; E802-I808 HydrophobicContact CG-CD1 3.83Å; E802-I808 HydrophobicContact CG-CG1 3.84Å; E802-I808 PolarHBondContact OE1-N 3.01Å; E802-I808 VanDerWaalsContact OE1-N 3.11Å; E802-Y869 PolarHBondContact N-OH 2.89Å
803	R	96.8	Very high	96.8	Very high	75 Å²	75	40.7 Å²	40.7	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-19.8	178.7	-178.8	61.1	-166.6	94	3.9	113.7	A799 M801 V838 C842	A799-R803 WeakPolarHBondContact O-CB 3.48Å; A799-R803 PolarHBondContact O-N 3.49Å; M801-R803 PolarHBondContact O-N 3.12Å; R803-V838 HydrophobicContact CB-CG1 3.95Å; R803-V838 HydrophobicContact CG-CG1 4.08Å; R803-C842 HydrophobicContact CB-CB 4.09Å; R803-C842 HydrophobicContact CG-CB 3.5Å; R803-C842 VanDerWaalsContact CG-CB 3.5Å; R803-C842 PolarHBondContact NE-O 3.37Å; R803-C842 VanDerWaalsContact NE-O 3.12Å; R803-C842 PolarHBondContact NH2-O 3.09Å
804	T	97.9	Very high	96.7	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-111.6	-38.5	-170.1	-57	0	0	0	0	113.1	L788 F789 M800 M801 E802 R843 P844 L845	L788-T804 HydrophobicContact CD1-CG2 4.15Å; F789-T804 HydrophobicContact CE1-CG2 4.39Å; M800-T804 VanDerWaalsContact O-CB 3.25Å; M800-T804 WeakPolarHBondContact O-CB 3.15Å; M800-T804 PolarHBondContact O-N 3.36Å; M800-T804 PolarHBondContact O-OG1 3.31Å; M801-T804 PolarHBondContact O-N 3.14Å; E802-T804 PolarHBondContact O-N 2.88Å; T804-R843 WeakPolarHBondContact CA-O 3.4Å; T804-P844 CarbonylContact O-C 3.46Å; T804-P844 VanDerWaalsContact O-CA 3.29Å; T804-P844 WeakPolarHBondContact O-CA 3.13Å; T804-L845 HydrophobicContact CG2-CB 4.29Å; T804-L845 HydrophobicContact CG2-CD1 4.45Å; T804-L845 PolarHBondContact O-N 2.91Å
805	L	98.1	Very high	96.5	Very high	52 Å²	52	51.6 Å²	51.6	27%	0.272	23%	0.229	S	C	.	.	H	α-helix	trans	-110.6	-27.6	-172.1	-58.1	171.8	0	0	0	112.9	W773 F789 M801 L845 L867 Y869	W773-L805 HydrophobicContact CH2-CD1 3.45Å; W773-L805 VanDerWaalsContact CH2-CD1 3.45Å; W773-L805 HydrophobicContact CZ2-CD1 4.2Å; W773-L805 HydrophobicContact CZ3-CD1 4.13Å; F789-L805 HydrophobicContact CZ-CD1 4.19Å; M801-L805 PolarHBondContact O-N 3.31Å; L805-L845 HydrophobicContact CD2-CB 4.44Å; L805-L845 HydrophobicContact CD2-CD2 4.12Å; L805-L867 HydrophobicContact CD1-CB 4.21Å; L805-L867 HydrophobicContact CD2-CB 3.96Å; L805-L867 HydrophobicContact CD2-CD1 4.34Å; L805-Y869 HydrophobicContact CB-CE2 3.8Å; L805-Y869 HydrophobicContact CD1-CE2 4.46Å
806	G	96.6	Very high	96.3	Very high	32 Å²	32	49 Å²	49	33%	0.33	22%	0.222	S	C	.	.			trans	116	-177.7	-172.3	0	0	0	0	0	111.7	E802 Y869	E802-G806 VanDerWaalsContact CA-O 3.29Å; E802-G806 WeakPolarHBondContact CA-O 3.28Å; E802-G806 PolarHBondContact O-N 2.98Å; G806-Y869 WeakPolarHBondContact O-CE2 3.48Å; G806-Y869 PolarHBondContact O-OH 2.98Å
807	H	96.1	Very high	96	Very high	150 Å²	150	58.3 Å²	58.3	69%	0.694	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-67.3	139	-173.3	-75.1	-58.7	0	0	0	113.7	E802	E802-H807 VanDerWaalsContact OE1-CA 3.29Å; E802-H807 WeakPolarHBondContact OE1-CA 3.48Å; E802-H807 IonicContact OE1-CE1 3.23Å; E802-H807 IonicContact OE1-CG 2.63Å; E802-H807 IonicContact OE1-ND1 2.66Å; E802-H807 PolarHBondContact OE1-ND1 2.84Å; E802-H807 IonicContact OE2-CE1 2.85Å; E802-H807 IonicContact OE2-ND1 2.96Å; E802-H807 PolarHBondContact OE2-ND1 3.48Å
808	I	97.3	Very high	95.7	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.046	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-63.3	131	176.1	-63.6	156.1	0	0	0	108.9	L762 L798 E802 Y810 M812 T813 F821 Y869	L762-I808 HydrophobicContact CD1-CG2 4.36Å; L798-I808 HydrophobicContact CB-CD1 4.06Å; L798-I808 HydrophobicContact CD2-CD1 3.9Å; L798-I808 HydrophobicContact CG-CD1 4.47Å; E802-I808 HydrophobicContact CG-CD1 3.83Å; E802-I808 HydrophobicContact CG-CG1 3.84Å; E802-I808 PolarHBondContact OE1-N 3.01Å; E802-I808 VanDerWaalsContact OE1-N 3.11Å; I808-Y810 PolarHBondContact O-N 3.33Å; I808-M812 HydrophobicContact CG2-CB 4.35Å; I808-T813 HydrophobicContact CB-CG2 4.01Å; I808-T813 HydrophobicContact CG2-CG2 3.62Å; I808-F821 HydrophobicContact CD1-CE1 4.03Å; I808-F821 HydrophobicContact CD1-CZ 4.08Å; I808-Y869 HydrophobicContact CB-CE1 4.43Å; I808-Y869 HydrophobicContact CG1-CD1 4.18Å; I808-Y869 HydrophobicContact CG1-CE1 3.56Å
809	P	96.5	Very high	95.5	Very high	31 Å²	31	62.1 Å²	62.1	20%	0.201	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-54.2	126.1	-178.7	-29.5	35.8	0	0	0	113.3	R811 M812 T813 Y869	P809-R811 HydrophobicContact CB-CG 4.13Å; P809-R811 PolarHBondContact O-N 3.25Å; P809-M812 HydrophobicContact CB-CG 4.32Å; P809-M812 HydrophobicContact CB-SD 4.17Å; P809-M812 HydrophobicContact CG-SD 4.04Å; P809-M812 WeakPolarHBondContact O-CA 3.44Å; P809-M812 WeakPolarHBondContact O-CB 3.21Å; P809-M812 PolarHBondContact O-N 2.91Å; P809-T813 PolarHBondContact O-N 3.26Å; P809-Y869 HydrophobicContact CG-CG 4.36Å
810	Y	95	Very high	95.3	Very high	144 Å²	144	63.5 Å²	63.5	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-54.9	-29.1	-176.2	-179.8	-102.4	0	0	0	114.1	I808 M812 T813 R814	I808-Y810 PolarHBondContact O-N 3.33Å; Y810-M812 VanDerWaalsContact C-N 3.3Å; Y810-M812 PolarHBondContact O-N 3.18Å; Y810-T813 PolarHBondContact O-N 2.75Å; Y810-T813 PolarHBondContact O-OG1 3.49Å; Y810-R814 HydrophobicContact CD1-CG 4.25Å; Y810-R814 VanDerWaalsContact CE1-CD 3.46Å; Y810-R814 HydrophobicContact CE1-CG 3.81Å; Y810-R814 HydrophobicContact CE2-CG 4.15Å; Y810-R814 WeakPolarHBondContact O-CB 3.42Å; Y810-R814 PolarHBondContact O-N 3.41Å
811	R	94.4	Very high	95.2	Very high	98 Å²	98	65.1 Å²	65.1	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-26.6	173.9	60.2	174.3	-175.2	59.3	33.3	113.6	P809 K815 D870	P809-R811 HydrophobicContact CB-CG 4.13Å; P809-R811 PolarHBondContact O-N 3.25Å; R811-K815 VanDerWaalsContact O-CG 3.3Å; R811-K815 WeakPolarHBondContact O-CG 3.43Å; R811-D870 IonicContact CZ-OD1 3.86Å; R811-D870 VanDerWaalsContact CZ-OD1 3.29Å; R811-D870 IonicContact CZ-OD2 3.99Å; R811-D870 IonicContact NE-OD2 3.62Å; R811-D870 IonicContact NH1-OD1 2.61Å; R811-D870 PolarHBondContact NH1-OD1 2.99Å; R811-D870 IonicContact NH1-OD2 2.87Å; R811-D870 PolarHBondContact NH1-OD2 2.99Å; R811-D870 IonicContact NH2-OD1 2.88Å; R811-D870 PolarHBondContact NH2-OD1 2.88Å; R811-D870 IonicContact NH2-OD2 3.46Å; R811-D870 PolarHBondContact NH2-OD2 3.02Å
812	M	96.1	Very high	94.9	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-82.2	-46.6	173.4	-62.9	173.6	75.3	0	0	110.3	P758 L762 L764 I808 P809 Y810 R814 K815 S816 Y869	P758-M812 HydrophobicContact CB-CE 4.45Å; P758-M812 HydrophobicContact CG-CE 4.45Å; L762-M812 HydrophobicContact CD1-CB 4.34Å; L762-M812 HydrophobicContact CD1-CE 4.27Å; L764-M812 HydrophobicContact CD1-CB 3.87Å; L764-M812 HydrophobicContact CD1-CE 3.85Å; L764-M812 HydrophobicContact CD1-CG 4.1Å; I808-M812 HydrophobicContact CG2-CB 4.35Å; P809-M812 HydrophobicContact CB-CG 4.32Å; P809-M812 HydrophobicContact CB-SD 4.17Å; P809-M812 HydrophobicContact CG-SD 4.04Å; P809-M812 WeakPolarHBondContact O-CA 3.44Å; P809-M812 WeakPolarHBondContact O-CB 3.21Å; P809-M812 PolarHBondContact O-N 2.91Å; Y810-M812 VanDerWaalsContact C-N 3.3Å; Y810-M812 PolarHBondContact O-N 3.18Å; M812-R814 PolarHBondContact O-N 2.97Å; M812-K815 PolarHBondContact O-N 3.48Å; M812-S816 PolarHBondContact O-N 3.27Å; M812-Y869 WeakPolarHBondContact CE-O 3.22Å
813	T	95	Very high	94.4	Very high	9 Å²	9	78.6 Å²	78.6	6%	0.055	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-32.4	179.3	74.6	0	0	0	0	112.3	I808 P809 Y810 F821 G824	I808-T813 HydrophobicContact CB-CG2 4.01Å; I808-T813 HydrophobicContact CG2-CG2 3.62Å; P809-T813 PolarHBondContact O-N 3.26Å; Y810-T813 PolarHBondContact O-N 2.75Å; Y810-T813 PolarHBondContact O-OG1 3.49Å; T813-F821 HydrophobicContact CG2-CD1 3.54Å; T813-F821 HydrophobicContact CG2-CE1 3.31Å; T813-F821 HydrophobicContact CG2-CE2 4.47Å; T813-F821 HydrophobicContact CG2-CG 4.23Å; T813-F821 HydrophobicContact CG2-CZ 3.84Å; T813-G824 PolarHBondContact OG1-O 2.86Å
814	R	93.3	Very high	94	Very high	183 Å²	183	76 Å²	76	69%	0.691	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-21	172	-84.9	-150.8	64.9	-172.1	-2.6	116.2	Y810 M812	Y810-R814 HydrophobicContact CD1-CG 4.25Å; Y810-R814 VanDerWaalsContact CE1-CD 3.46Å; Y810-R814 HydrophobicContact CE1-CG 3.81Å; Y810-R814 HydrophobicContact CE2-CG 4.15Å; Y810-R814 WeakPolarHBondContact O-CB 3.42Å; Y810-R814 PolarHBondContact O-N 3.41Å; M812-R814 PolarHBondContact O-N 2.97Å
815	K	92.8	Very high	93.8	Very high	153 Å²	153	85.1 Å²	85.1	67%	0.665	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-30	178.9	-80.1	179.6	175.5	-172.6	0	112.3	L764 R811 M812	L764-K815 HydrophobicContact CD2-CB 3.52Å; R811-K815 VanDerWaalsContact O-CG 3.3Å; R811-K815 WeakPolarHBondContact O-CG 3.43Å; M812-K815 PolarHBondContact O-N 3.48Å
816	S	92.4	Very high	93.7	Very high	20 Å²	20	83.5 Å²	83.5	14%	0.14	38%	0.382	C	S	.	.			trans	-65.1	141.2	-176.4	-171.4	0	0	0	0	112.3	L762 M812 T818	L762-S816 WeakPolarHBondContact CA-OG 3.49Å; L762-S816 WeakPolarHBondContact O-CB 3.26Å; L762-S816 PolarHBondContact O-OG 3.45Å; M812-S816 PolarHBondContact O-N 3.27Å; S816-T818 WeakPolarHBondContact OG-CG2 3.38Å; S816-T818 PolarHBondContact OG-N 3.08Å; S816-T818 PolarHBondContact OG-OG1 3.4Å
817	R	90.5	Very high	93.6	Very high	225 Å²	225	85.5 Å²	85.5	85%	0.849	39%	0.385	S	S	*	.			trans	-98	-2.1	178.8	-62.5	179.1	179.8	176.4	0.2	113.5	G819	R817-G819 VanDerWaalsContact C-N 3.32Å; R817-G819 PolarHBondContact O-N 2.71Å
818	T	91.3	Very high	93.5	Very high	27 Å²	27	80 Å²	80	17%	0.166	36%	0.358	C	S	.	.	S	Bend	trans	-70.4	-13.2	-167.3	54.7	0	0	0	0	116.5	E763 S816 F820	E763-T818 HydrophobicContact CG-CG2 4.17Å; S816-T818 WeakPolarHBondContact OG-CG2 3.38Å; S816-T818 PolarHBondContact OG-N 3.08Å; S816-T818 PolarHBondContact OG-OG1 3.4Å; T818-F820 VanDerWaalsContact C-N 3.27Å; T818-F820 VanDerWaalsContact CB-CD2 3.47Å; T818-F820 VanDerWaalsContact CB-CE2 3.45Å; T818-F820 HydrophobicContact CG2-CD2 4.14Å; T818-F820 HydrophobicContact CG2-CE2 3.79Å; T818-F820 HydrophobicContact CG2-CZ 4.32Å; T818-F820 WeakPolarHBondContact O-CD1 3.39Å; T818-F820 WeakPolarHBondContact O-CE1 3.27Å; T818-F820 PolarHBondContact O-N 3.41Å; T818-F820 WeakPolarHBondContact OG1-CD2 3.37Å
819	G	92.6	Very high	93.2	Very high	53 Å²	53	83.4 Å²	83.4	55%	0.546	38%	0.376	S	S	.	.	S	Bend	trans	67.9	22.7	-177.5	0	0	0	0	0	114.4	R795 R817	R795-G819 PolarHBondContact NH2-O 2.89Å; R817-G819 VanDerWaalsContact C-N 3.32Å; R817-G819 PolarHBondContact O-N 2.71Å
820	F	95.3	Very high	92.8	Very high	31 Å²	31	86.4 Å²	86.4	14%	0.136	39%	0.386	C	S	.	.			trans	-88	-0.4	177.1	-56	-27.5	0	0	0	114.2	I761 N794 R795 L798 T818 L826 D827	I761-F820 HydrophobicContact CG2-CE2 4.43Å; N794-F820 HydrophobicContact CB-CD2 4.48Å; N794-F820 HydrophobicContact CB-CE1 4.42Å; N794-F820 HydrophobicContact CB-CE2 3.55Å; N794-F820 HydrophobicContact CB-CZ 3.51Å; R795-F820 HydrophobicContact CG-CB 4.26Å; R795-F820 HydrophobicContact CG-CD1 3.54Å; R795-F820 HydrophobicContact CG-CE1 4.04Å; R795-F820 HydrophobicContact CG-CG 3.92Å; L798-F820 HydrophobicContact CD1-CB 4.22Å; L798-F820 HydrophobicContact CD1-CD2 3.56Å; L798-F820 HydrophobicContact CD1-CE2 4.36Å; L798-F820 HydrophobicContact CD1-CG 4.27Å; T818-F820 VanDerWaalsContact C-N 3.27Å; T818-F820 VanDerWaalsContact CB-CD2 3.47Å; T818-F820 VanDerWaalsContact CB-CE2 3.45Å; T818-F820 HydrophobicContact CG2-CD2 4.14Å; T818-F820 HydrophobicContact CG2-CE2 3.79Å; T818-F820 HydrophobicContact CG2-CZ 4.32Å; T818-F820 WeakPolarHBondContact O-CD1 3.39Å; T818-F820 WeakPolarHBondContact O-CE1 3.27Å; T818-F820 PolarHBondContact O-N 3.41Å; T818-F820 WeakPolarHBondContact OG1-CD2 3.37Å; F820-L826 HydrophobicContact CB-CD1 4.3Å; F820-L826 WeakPolarHBondContact O-CD1 3.37Å; F820-D827 WeakPolarHBondContact O-CB 3.16Å; F820-D827 PolarHBondContact O-N 3.25Å
821	F	95.2	Very high	92.5	Very high	37 Å²	37	88.3 Å²	88.3	16%	0.162	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	-173	-58.2	-90.2	0	0	0	112.8	L762 L798 I808 T813 R825 L826	L762-F821 HydrophobicContact CD2-CE2 3.45Å; L762-F821 VanDerWaalsContact CD2-CE2 3.45Å; L762-F821 HydrophobicContact CD2-CZ 3.74Å; L798-F821 HydrophobicContact CD1-CE2 4.43Å; L798-F821 HydrophobicContact CD1-CZ 4.12Å; I808-F821 HydrophobicContact CD1-CE1 4.03Å; I808-F821 HydrophobicContact CD1-CZ 4.08Å; T813-F821 HydrophobicContact CG2-CD1 3.54Å; T813-F821 HydrophobicContact CG2-CE1 3.31Å; T813-F821 HydrophobicContact CG2-CE2 4.47Å; T813-F821 HydrophobicContact CG2-CG 4.23Å; T813-F821 HydrophobicContact CG2-CZ 3.84Å; F821-R825 CarbonylContact C-O 3.51Å; F821-R825 WeakPolarHBondContact CA-O 3.2Å; F821-R825 WeakPolarHBondContact CB-O 3.13Å; F821-L826 HydrophobicContact CD1-CB 4.4Å; F821-L826 HydrophobicContact CD1-CD1 4.28Å; F821-L826 HydrophobicContact CE1-CB 4.26Å; F821-L826 HydrophobicContact CE1-CD1 3.74Å; F821-L826 HydrophobicContact CZ-CD1 3.94Å
822	Y	91.6	Very high	92.4	Very high	161 Å²	161	86.3 Å²	86.3	63%	0.631	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	172.7	-174	-119	0	0	0	109.7	G824 R825	Y822-G824 PolarHBondContact O-N 2.9Å; Y822-R825 PolarHBondContact N-O 3.15Å; Y822-R825 PolarHBondContact O-N 3.38Å
823	H	88.4	Confident	92.2	Very high	154 Å²	154	91.2 Å²	91.2	71%	0.713	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	32.6	-169	-66.4	-66.4	0	0	0	114.8	R825	H823-R825 VanDerWaalsContact C-N 3.34Å; H823-R825 PolarHBondContact O-N 2.89Å
824	G	88.2	Confident	92	Very high	20 Å²	20	95.1 Å²	95.1	21%	0.206	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	2.9	177.7	0	0	0	0	0	116	T813 Y822	T813-G824 PolarHBondContact OG1-O 2.86Å; Y822-G824 PolarHBondContact O-N 2.9Å
825	R	92.4	Very high	92	Very high	196 Å²	196	86.4 Å²	86.4	74%	0.74	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	156.4	166.9	-65.6	-176.3	177.1	-175.3	-1.7	110.1	F821 Y822 H823 D827	F821-R825 CarbonylContact C-O 3.51Å; F821-R825 WeakPolarHBondContact CA-O 3.2Å; F821-R825 WeakPolarHBondContact CB-O 3.13Å; Y822-R825 PolarHBondContact N-O 3.15Å; Y822-R825 PolarHBondContact O-N 3.38Å; H823-R825 VanDerWaalsContact C-N 3.34Å; H823-R825 PolarHBondContact O-N 2.89Å; R825-D827 PolarHBondContact O-N 3.19Å
826	L	95.8	Very high	92.1	Very high	19 Å²	19	84.4 Å²	84.4	10%	0.099	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133.6	178.1	-167.3	72.1	0	0	0	110.7	L798 A799 F820 F821 W828	L798-L826 HydrophobicContact CB-CD1 3.67Å; L798-L826 HydrophobicContact CB-CD2 4.01Å; L798-L826 HydrophobicContact CD1-CD1 3.94Å; L798-L826 HydrophobicContact CG-CD1 4.47Å; A799-L826 HydrophobicContact CB-CD2 3.72Å; F820-L826 HydrophobicContact CB-CD1 4.3Å; F820-L826 WeakPolarHBondContact O-CD1 3.37Å; F821-L826 HydrophobicContact CD1-CB 4.4Å; F821-L826 HydrophobicContact CD1-CD1 4.28Å; F821-L826 HydrophobicContact CE1-CB 4.26Å; F821-L826 HydrophobicContact CE1-CD1 3.74Å; F821-L826 HydrophobicContact CZ-CD1 3.94Å; L826-W828 VanDerWaalsContact C-N 3.28Å; L826-W828 HydrophobicContact CD2-CB 3.92Å; L826-W828 HydrophobicContact CD2-CG 4.37Å; L826-W828 HydrophobicContact CG-CB 4.05Å; L826-W828 PolarHBondContact O-N 3.28Å
827	D	94.5	Very high	92.2	Very high	73 Å²	73	86.9 Å²	86.9	39%	0.39	39%	0.393	S	S	.	.			trans	-79.4	77.4	176.2	-178.1	32.9	0	0	0	109.9	R795 F820 R825	R795-D827 IonicContact CZ-OD2 3.24Å; R795-D827 VanDerWaalsContact NH1-CG 3.33Å; R795-D827 PolarHBondContact NH1-O 3.4Å; R795-D827 IonicContact NH1-OD2 2.97Å; R795-D827 PolarHBondContact NH1-OD2 3.42Å; R795-D827 IonicContact NH2-OD2 3.26Å; R795-D827 PolarHBondContact NH2-OD2 3.03Å; F820-D827 WeakPolarHBondContact O-CB 3.16Å; F820-D827 PolarHBondContact O-N 3.25Å; R825-D827 PolarHBondContact O-N 3.19Å
828	W	94.3	Very high	92.4	Very high	35 Å²	35	76.1 Å²	76.1	13%	0.133	35%	0.352	C	S	.	.			trans	-139.4	118.7	-170.9	-172	-99.9	0	0	0	111.9	R795 E796 A799 L826 F830 E834 V838	R795-W828 HydrophobicContact CB-CE3 4.13Å; R795-W828 HydrophobicContact CB-CZ3 4.08Å; E796-W828 HydrophobicContact CB-CH2 3.7Å; E796-W828 HydrophobicContact CB-CZ3 4.07Å; E796-W828 HydrophobicContact CG-CH2 3.93Å; A799-W828 HydrophobicContact CB-CD2 3.57Å; A799-W828 VanDerWaalsContact CB-CE2 3.49Å; A799-W828 HydrophobicContact CB-CE3 4.09Å; A799-W828 HydrophobicContact CB-CG 3.85Å; A799-W828 HydrophobicContact CB-CH2 4.43Å; A799-W828 HydrophobicContact CB-CZ2 3.95Å; A799-W828 HydrophobicContact CB-CZ3 4.5Å; L826-W828 VanDerWaalsContact C-N 3.28Å; L826-W828 HydrophobicContact CD2-CB 3.92Å; L826-W828 HydrophobicContact CD2-CG 4.37Å; L826-W828 HydrophobicContact CG-CB 4.05Å; L826-W828 PolarHBondContact O-N 3.28Å; W828-F830 AromaticContact CD1-CE1 3.92Å; W828-E834 HydrophobicContact CH2-CB 3.72Å; W828-E834 HydrophobicContact CZ2-CB 3.9Å; W828-V838 HydrophobicContact CH2-CG2 4.45Å; W828-V838 HydrophobicContact CZ2-CB 4.47Å; W828-V838 HydrophobicContact CZ2-CG2 3.74Å
829	D	92.2	Very high	92.5	Very high	80 Å²	80	80.3 Å²	80.3	43%	0.428	37%	0.365	S	S	.	.			trans	-79.9	125.1	169.1	178.4	24.5	0	0	0	110.1	Y831 N832	D829-Y831 VanDerWaalsContact C-N 3.33Å; D829-Y831 WeakPolarHBondContact OD1-CB 3.24Å; D829-Y831 WeakPolarHBondContact OD1-CD2 3.49Å; D829-Y831 PolarHBondContact OD1-N 2.75Å; D829-N832 PolarHBondContact O-OD1 3.42Å; D829-N832 PolarHBondContact OD2-N 2.95Å
830	F	86.7	Confident	92.6	Very high	94 Å²	94	84.1 Å²	84.1	41%	0.412	37%	0.369	S	S	.	.	S	Bend	trans	-80.4	-13.1	175.4	-71	-84.7	0	0	0	113.3	W828 G835 R839	W828-F830 AromaticContact CD1-CE1 3.92Å; F830-G835 CarbonylContact O-C 3.46Å; F830-R839 PolarHBondContact O-NH2 3.35Å
831	Y	89	Confident	92.5	Very high	184 Å²	184	86.7 Å²	86.7	72%	0.722	38%	0.384	S	S	*	.	S	Bend	trans	-98	-17.8	-171.8	-61.7	-79.5	0	0	0	114.9	D829	D829-Y831 VanDerWaalsContact C-N 3.33Å; D829-Y831 WeakPolarHBondContact OD1-CB 3.24Å; D829-Y831 WeakPolarHBondContact OD1-CD2 3.49Å; D829-Y831 PolarHBondContact OD1-N 2.75Å
832	N	92.3	Very high	92.5	Very high	56 Å²	56	85.1 Å²	85.1	30%	0.299	38%	0.377	S	S	.	.	S	Bend	trans	-65.3	-175.1	169	71.6	7.1	0	0	0	112.5	D829 E834 G835 R836	D829-N832 PolarHBondContact O-OD1 3.42Å; D829-N832 PolarHBondContact OD2-N 2.95Å; N832-E834 WeakPolarHBondContact CB-OE2 3.5Å; N832-E834 PolarHBondContact ND2-OE2 3.45Å; N832-E834 PolarHBondContact OD1-N 2.97Å; N832-E834 PolarHBondContact OD1-OE2 3.2Å; N832-G835 WeakPolarHBondContact OD1-CA 3.21Å; N832-G835 PolarHBondContact OD1-N 3.28Å; N832-R836 WeakPolarHBondContact O-CB 3.27Å; N832-R836 PolarHBondContact O-N 2.69Å
833	Q	91.5	Very high	92.7	Very high	105 Å²	105	81.8 Å²	81.8	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-76.6	-32.8	-173.2	-176.2	56.1	32.5	0	0	112	R836 Y837	Q833-R836 WeakPolarHBondContact O-CB 3.35Å; Q833-Y837 PolarHBondContact O-N 3.16Å
834	E	91.4	Very high	93.1	Very high	92 Å²	92	76.7 Å²	76.7	43%	0.43	34%	0.344	S	S	.	.	H	α-helix	trans	-72.4	-49.8	-179.3	-58.2	70	-157.9	0	0	110.1	W828 N832 R836 Y837 V838	W828-E834 HydrophobicContact CH2-CB 3.72Å; W828-E834 HydrophobicContact CZ2-CB 3.9Å; N832-E834 WeakPolarHBondContact CB-OE2 3.5Å; N832-E834 PolarHBondContact ND2-OE2 3.45Å; N832-E834 PolarHBondContact OD1-N 2.97Å; N832-E834 PolarHBondContact OD1-OE2 3.2Å; E834-R836 PolarHBondContact O-N 3.4Å; E834-Y837 WeakPolarHBondContact O-CB 3.49Å; E834-Y837 PolarHBondContact O-N 3.24Å; E834-Y837 VanDerWaalsContact O-N 3.08Å; E834-V838 WeakPolarHBondContact O-CG2 3.43Å; E834-V838 PolarHBondContact O-N 3.41Å
835	G	93.6	Very high	93.6	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-25.5	173.4	0	0	0	0	0	113.5	F830 N832 R839	F830-G835 CarbonylContact O-C 3.46Å; N832-G835 WeakPolarHBondContact OD1-CA 3.21Å; N832-G835 PolarHBondContact OD1-N 3.28Å; G835-R839 VanDerWaalsContact O-CB 3.24Å; G835-R839 WeakPolarHBondContact O-CB 3.44Å; G835-R839 PolarHBondContact O-N 2.98Å
836	R	94.3	Very high	93.7	Very high	111 Å²	111	72.7 Å²	72.7	42%	0.419	33%	0.332	S	S	.	.	H	α-helix	trans	-69.7	-51	165.9	-171.4	-170.9	-49.7	-165.2	6.5	111.5	N832 Q833 E834 V838 R839 E840	N832-R836 WeakPolarHBondContact O-CB 3.27Å; N832-R836 PolarHBondContact O-N 2.69Å; Q833-R836 WeakPolarHBondContact O-CB 3.35Å; E834-R836 PolarHBondContact O-N 3.4Å; R836-V838 PolarHBondContact O-N 2.95Å; R836-R839 WeakPolarHBondContact O-CB 3.46Å; R836-R839 PolarHBondContact O-N 3.35Å; R836-R839 VanDerWaalsContact O-N 3.08Å; R836-E840 WeakPolarHBondContact CD-OE1 3.45Å; R836-E840 HydrophobicContact CG-CG 4.34Å; R836-E840 WeakPolarHBondContact CG-OE1 3.38Å; R836-E840 WeakPolarHBondContact O-CG 3.4Å; R836-E840 PolarHBondContact O-N 3.09Å
837	Y	94.7	Very high	93.7	Very high	71 Å²	71	80.1 Å²	80.1	28%	0.278	36%	0.359	S	S	.	.	H	α-helix	trans	-54.5	-48.5	177.9	167.4	-101.1	0	0	0	111.9	Q790 E796 Q833 E834 R839 E840 N841	Q790-Y837 PolarHBondContact O-OH 2.97Å; E796-Y837 VanDerWaalsContact OE1-CD1 3.22Å; E796-Y837 WeakPolarHBondContact OE1-CD1 3.39Å; E796-Y837 WeakPolarHBondContact OE1-CE1 3.42Å; Q833-Y837 PolarHBondContact O-N 3.16Å; E834-Y837 WeakPolarHBondContact O-CB 3.49Å; E834-Y837 PolarHBondContact O-N 3.24Å; E834-Y837 VanDerWaalsContact O-N 3.08Å; Y837-R839 VanDerWaalsContact C-N 3.35Å; Y837-R839 PolarHBondContact O-N 3.03Å; Y837-E840 PolarHBondContact O-N 3.15Å; Y837-N841 WeakPolarHBondContact CD2-ND2 3.3Å; Y837-N841 HydrophobicContact CE2-CB 4.43Å; Y837-N841 WeakPolarHBondContact CE2-ND2 3.32Å; Y837-N841 WeakPolarHBondContact O-CB 3.14Å; Y837-N841 PolarHBondContact O-N 3.35Å; Y837-N841 PolarHBondContact O-ND2 3.41Å
838	V	95.3	Very high	93.8	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-43.8	175.3	173	0	0	0	0	111.5	E796 A799 M800 R803 W828 E834 R836 E840 C842	E796-V838 HydrophobicContact CG-CG2 3.84Å; A799-V838 HydrophobicContact CB-CG1 4.3Å; A799-V838 HydrophobicContact CB-CG2 4.48Å; M800-V838 HydrophobicContact CG-CB 4.49Å; M800-V838 HydrophobicContact CG-CG1 4.11Å; M800-V838 HydrophobicContact CG-CG2 3.8Å; R803-V838 HydrophobicContact CB-CG1 3.95Å; R803-V838 HydrophobicContact CG-CG1 4.08Å; W828-V838 HydrophobicContact CH2-CG2 4.45Å; W828-V838 HydrophobicContact CZ2-CB 4.47Å; W828-V838 HydrophobicContact CZ2-CG2 3.74Å; E834-V838 WeakPolarHBondContact O-CG2 3.43Å; E834-V838 PolarHBondContact O-N 3.41Å; R836-V838 PolarHBondContact O-N 2.95Å; V838-E840 PolarHBondContact O-N 3.21Å; V838-C842 VanDerWaalsContact O-CB 3.24Å; V838-C842 WeakPolarHBondContact O-CB 3.41Å; V838-C842 PolarHBondContact O-N 3.3Å
839	R	93.9	Very high	93.8	Very high	114 Å²	114	77.3 Å²	77.3	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-65.4	-36.4	-178.7	-167.7	-156.9	-51.3	170.1	2.2	113.2	F830 G835 R836 Y837	F830-R839 PolarHBondContact O-NH2 3.35Å; G835-R839 VanDerWaalsContact O-CB 3.24Å; G835-R839 WeakPolarHBondContact O-CB 3.44Å; G835-R839 PolarHBondContact O-N 2.98Å; R836-R839 WeakPolarHBondContact O-CB 3.46Å; R836-R839 PolarHBondContact O-N 3.35Å; R836-R839 VanDerWaalsContact O-N 3.08Å; Y837-R839 VanDerWaalsContact C-N 3.35Å; Y837-R839 PolarHBondContact O-N 3.03Å
840	E	93.4	Very high	93.6	Very high	134 Å²	134	79.3 Å²	79.3	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-83.2	-36.1	-176.6	-72.4	171.1	-177.2	0	0	112.5	R836 Y837 V838	R836-E840 WeakPolarHBondContact CD-OE1 3.45Å; R836-E840 HydrophobicContact CG-CG 4.34Å; R836-E840 WeakPolarHBondContact CG-OE1 3.38Å; R836-E840 WeakPolarHBondContact O-CG 3.4Å; R836-E840 PolarHBondContact O-N 3.09Å; Y837-E840 PolarHBondContact O-N 3.15Å; V838-E840 PolarHBondContact O-N 3.21Å
841	N	93.6	Very high	93.9	Very high	84 Å²	84	78.2 Å²	78.2	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-93.9	-29.2	-176.2	-66.3	-89.6	0	0	0	113.4	Y837 Y848	Y837-N841 WeakPolarHBondContact CD2-ND2 3.3Å; Y837-N841 HydrophobicContact CE2-CB 4.43Å; Y837-N841 WeakPolarHBondContact CE2-ND2 3.32Å; Y837-N841 WeakPolarHBondContact O-CB 3.14Å; Y837-N841 PolarHBondContact O-N 3.35Å; Y837-N841 PolarHBondContact O-ND2 3.41Å; N841-Y848 PolarHBondContact O-OH 3.26Å
842	C	95.2	Very high	94	Very high	4 Å²	4	78.2 Å²	78.2	3%	0.027	36%	0.358	C	S	.	.			trans	-100.3	143	179.7	-59.2	0	0	0	0	112.9	M800 R803 V838	M800-C842 WeakPolarHBondContact CE-SG 3.46Å; R803-C842 HydrophobicContact CB-CB 4.09Å; R803-C842 HydrophobicContact CG-CB 3.5Å; R803-C842 VanDerWaalsContact CG-CB 3.5Å; R803-C842 PolarHBondContact NE-O 3.37Å; R803-C842 VanDerWaalsContact NE-O 3.12Å; R803-C842 PolarHBondContact NH2-O 3.09Å; V838-C842 VanDerWaalsContact O-CB 3.24Å; V838-C842 WeakPolarHBondContact O-CB 3.41Å; V838-C842 PolarHBondContact O-N 3.3Å
843	R	96.1	Very high	94.1	Very high	91 Å²	91	78 Å²	78	34%	0.343	36%	0.361	S	S	.	.			trans	-143.9	162.1	177.8	58.7	-171.5	-169.7	-95	6.6	110.4	T804 L845 R847 Y848	T804-R843 WeakPolarHBondContact CA-O 3.4Å; R843-L845 PolarHBondContact O-N 3.39Å; R843-R847 HydrophobicContact CB-CB 4.38Å; R843-R847 HydrophobicContact CG-CB 4.03Å; R843-R847 PolarHBondContact NE-O 2.99Å; R843-R847 PolarHBondContact NH2-O 2.98Å; R843-Y848 HydrophobicContact CG-CD2 3.96Å; R843-Y848 HydrophobicContact CG-CE1 4.1Å; R843-Y848 HydrophobicContact CG-CE2 3.47Å; R843-Y848 VanDerWaalsContact CG-CE2 3.47Å; R843-Y848 HydrophobicContact CG-CG 4.48Å; R843-Y848 PolarHBondContact N-OH 3.15Å; R843-Y848 VanDerWaalsContact O-CE2 3.28Å; R843-Y848 WeakPolarHBondContact O-CE2 3.29Å
844	P	97.5	Very high	94.3	Very high	47 Å²	47	78.4 Å²	78.4	31%	0.305	36%	0.363	S	S	.	.			trans	-59	141.4	-178.4	-21	35	0	0	0	110.3	T804 L846 R847	T804-P844 CarbonylContact O-C 3.46Å; T804-P844 VanDerWaalsContact O-CA 3.29Å; T804-P844 WeakPolarHBondContact O-CA 3.13Å; P844-L846 VanDerWaalsContact C-N 3.32Å; P844-L846 PolarHBondContact O-N 3.46Å; P844-L846 VanDerWaalsContact O-N 3.13Å; P844-R847 WeakPolarHBondContact O-CB 3.33Å; P844-R847 PolarHBondContact O-N 3.05Å
845	L	97.4	Very high	94.4	Very high	13 Å²	13	76.2 Å²	76.2	7%	0.068	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-47.8	-48.5	-166.1	-173.9	61.9	0	0	0	113.5	F780 L788 T804 L805 R843 R847 Y848 F860 M863 L867	F780-L845 HydrophobicContact CD2-CD1 4.13Å; F780-L845 HydrophobicContact CE2-CD1 4.37Å; L788-L845 HydrophobicContact CD1-CD1 4.34Å; T804-L845 HydrophobicContact CG2-CB 4.29Å; T804-L845 HydrophobicContact CG2-CD1 4.45Å; T804-L845 PolarHBondContact O-N 2.91Å; L805-L845 HydrophobicContact CD2-CB 4.44Å; L805-L845 HydrophobicContact CD2-CD2 4.12Å; R843-L845 PolarHBondContact O-N 3.39Å; L845-R847 PolarHBondContact O-N 3.38Å; L845-Y848 WeakPolarHBondContact O-CD2 3.18Å; L845-Y848 PolarHBondContact O-N 3.17Å; L845-F860 HydrophobicContact CD1-CD1 4.44Å; L845-F860 HydrophobicContact CD1-CE1 4.21Å; L845-F860 HydrophobicContact CG-CD1 4.02Å; L845-F860 HydrophobicContact CG-CE1 4.24Å; L845-F860 WeakPolarHBondContact O-CE1 3.3Å; L845-M863 HydrophobicContact CD2-CB 4.46Å; L845-L867 HydrophobicContact CD1-CD1 4.49Å; L845-L867 HydrophobicContact CD2-CD1 4.18Å
846	L	95.2	Very high	94.5	Very high	119 Å²	119	76.2 Å²	76.2	62%	0.623	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-60.3	-13.7	178.4	-64.7	170.8	0	0	0	115	P844 Y848 C849 F860	P844-L846 VanDerWaalsContact C-N 3.32Å; P844-L846 PolarHBondContact O-N 3.46Å; P844-L846 VanDerWaalsContact O-N 3.13Å; L846-Y848 VanDerWaalsContact C-N 3.27Å; L846-Y848 PolarHBondContact O-N 2.96Å; L846-C849 PolarHBondContact O-SG 3.3Å; L846-F860 HydrophobicContact CD2-CB 3.97Å
847	R	95.8	Very high	94.7	Very high	176 Å²	176	74.5 Å²	74.5	66%	0.664	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-84.1	4.8	173.3	-57.2	-162.3	-172.4	178.4	-0.4	113.5	R843 P844 L845	R843-R847 HydrophobicContact CB-CB 4.38Å; R843-R847 HydrophobicContact CG-CB 4.03Å; R843-R847 PolarHBondContact NE-O 2.99Å; R843-R847 PolarHBondContact NH2-O 2.98Å; P844-R847 WeakPolarHBondContact O-CB 3.33Å; P844-R847 PolarHBondContact O-N 3.05Å; L845-R847 PolarHBondContact O-N 3.38Å
848	Y	95.8	Very high	94.8	Very high	12 Å²	12	71.7 Å²	71.7	5%	0.047	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-96.7	-7.4	170.4	-67.6	-88.4	0	0	0	113.6	F780 Y786 N841 R843 L845 L846 K850	F780-Y848 AromaticContact CE2-CD1 3.82Å; F780-Y848 HydrophobicContact CE2-CD1 3.82Å; F780-Y848 AromaticContact CE2-CD2 3.79Å; F780-Y848 HydrophobicContact CE2-CD2 3.79Å; F780-Y848 HydrophobicContact CE2-CE1 4.38Å; F780-Y848 HydrophobicContact CE2-CE2 4.34Å; F780-Y848 AromaticContact CE2-CG 3.5Å; F780-Y848 HydrophobicContact CE2-CG 3.5Å; F780-Y848 VanDerWaalsContact CE2-CG 3.5Å; F780-Y848 AromaticContact CZ-CD1 3.52Å; F780-Y848 HydrophobicContact CZ-CD1 3.52Å; F780-Y848 HydrophobicContact CZ-CD2 4.16Å; F780-Y848 AromaticContact CZ-CE1 3.79Å; F780-Y848 HydrophobicContact CZ-CE1 3.79Å; F780-Y848 HydrophobicContact CZ-CE2 4.37Å; F780-Y848 AromaticContact CZ-CG 3.73Å; F780-Y848 HydrophobicContact CZ-CG 3.73Å; Y786-Y848 HydrophobicContact CE2-CE1 4.24Å; Y786-Y848 WeakPolarHBondContact OH-CD1 3.24Å; N841-Y848 PolarHBondContact O-OH 3.26Å; R843-Y848 HydrophobicContact CG-CD2 3.96Å; R843-Y848 HydrophobicContact CG-CE1 4.1Å; R843-Y848 HydrophobicContact CG-CE2 3.47Å; R843-Y848 VanDerWaalsContact CG-CE2 3.47Å; R843-Y848 HydrophobicContact CG-CG 4.48Å; R843-Y848 PolarHBondContact N-OH 3.15Å; R843-Y848 VanDerWaalsContact O-CE2 3.28Å; R843-Y848 WeakPolarHBondContact O-CE2 3.29Å; L845-Y848 WeakPolarHBondContact O-CD2 3.18Å; L845-Y848 PolarHBondContact O-N 3.17Å; L846-Y848 VanDerWaalsContact C-N 3.27Å; L846-Y848 PolarHBondContact O-N 2.96Å; Y848-K850 PolarHBondContact O-N 3.04Å
849	C	93.9	Very high	94.9	Very high	36 Å²	36	71.7 Å²	71.7	24%	0.243	34%	0.343	C	S	.	.			trans	-54.2	134.7	168.6	-57.1	0	0	0	0	110.8	L846 T856 F860	L846-C849 PolarHBondContact O-SG 3.3Å; C849-T856 HydrophobicContact CB-CG2 3.7Å; C849-F860 VanDerWaalsContact SG-CD2 3.6Å; C849-F860 VanDerWaalsContact SG-CG 3.51Å
850	K	89.3	Confident	95.1	Very high	122 Å²	122	66.3 Å²	66.3	53%	0.53	32%	0.322	S	S	.	.	S	Bend	trans	-91.5	-17.7	178.5	-59.1	168.2	-170.2	166	0	112.9	Y783 Y848	Y783-K850 HydrophobicContact CE1-CD 3.89Å; Y783-K850 HydrophobicContact CE1-CG 3.84Å; Y783-K850 HydrophobicContact CE2-CD 4.33Å; Y783-K850 PolarHBondContact O-NZ 3.38Å; Y783-K850 WeakPolarHBondContact OH-CB 3.32Å; Y783-K850 WeakPolarHBondContact OH-CG 3.33Å; Y783-K850 PolarHBondContact OH-N 3.3Å; Y848-K850 PolarHBondContact O-N 3.04Å
851	D	91.8	Very high	95.3	Very high	71 Å²	71	62.7 Å²	62.7	38%	0.38	31%	0.307	S	S	.	.	S	Bend	trans	-157.8	167.6	-174.7	54.8	83.5	0	0	0	109	S853 T856	D851-S853 VanDerWaalsContact OD1-CB 3.31Å; D851-S853 WeakPolarHBondContact OD1-CB 3.39Å; D851-S853 PolarHBondContact OD1-N 3.45Å; D851-S853 PolarHBondContact OD1-OG 3.31Å; D851-T856 WeakPolarHBondContact O-CG2 3.2Å; D851-T856 WeakPolarHBondContact OD1-CB 3.29Å; D851-T856 PolarHBondContact OD1-OG1 3.04Å; D851-T856 PolarHBondContact OD2-OG1 3.22Å
852	E	91.6	Very high	95.6	Very high	185 Å²	185	58.7 Å²	58.7	86%	0.864	29%	0.286	S	S	*	.			trans	-105.9	31.3	-179.2	-60.5	177.8	162.8	0	0	111.3
853	S	94.7	Very high	95.7	Very high	51 Å²	51	58.5 Å²	58.5	36%	0.357	29%	0.285	S	S	.	.			trans	-73.1	149.6	174.3	66.9	0	0	0	0	111.3	D851 D855 T856 L857	D851-S853 VanDerWaalsContact OD1-CB 3.31Å; D851-S853 WeakPolarHBondContact OD1-CB 3.39Å; D851-S853 PolarHBondContact OD1-N 3.45Å; D851-S853 PolarHBondContact OD1-OG 3.31Å; S853-D855 PolarHBondContact O-N 2.87Å; S853-T856 PolarHBondContact O-N 2.93Å; S853-T856 PolarHBondContact OG-N 3.18Å; S853-T856 PolarHBondContact OG-OG1 2.86Å; S853-L857 WeakPolarHBondContact O-CG 3.34Å; S853-L857 PolarHBondContact O-N 3.12Å
854	Q	94.8	Very high	95.8	Very high	113 Å²	113	56.6 Å²	56.6	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-55.1	-42.1	178.4	-168.9	61.5	43	0	0	111.4	T856 L857 D858	Q854-T856 VanDerWaalsContact C-N 3.34Å; Q854-T856 PolarHBondContact O-N 2.94Å; Q854-L857 CarbonylContact O-C 3.57Å; Q854-L857 PolarHBondContact O-N 3.21Å; Q854-D858 PolarHBondContact NE2-OD1 3.27Å; Q854-D858 VanDerWaalsContact O-CG 3.26Å; Q854-D858 PolarHBondContact O-N 3.47Å
855	D	94.3	Very high	95.9	Very high	46 Å²	46	57.9 Å²	57.9	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-51.3	-45.3	171.5	-86.9	9	0	0	0	114.1	M672 R676 S853 L859 H888	M672-D855 HydrophobicContact CE-CB 4.24Å; M672-D855 HydrophobicContact CG-CB 4.04Å; R676-D855 IonicContact CZ-OD2 3.5Å; R676-D855 IonicContact NH1-OD2 3.69Å; R676-D855 IonicContact NH2-OD1 3.57Å; R676-D855 PolarHBondContact NH2-OD1 3.12Å; R676-D855 IonicContact NH2-OD2 3.29Å; R676-D855 PolarHBondContact NH2-OD2 2.68Å; S853-D855 PolarHBondContact O-N 2.87Å; D855-L859 WeakPolarHBondContact O-CB 3.29Å; D855-L859 PolarHBondContact O-N 2.96Å; D855-L859 VanDerWaalsContact O-N 3.17Å; D855-H888 IonicContact OD1-CE1 2.82Å; D855-H888 IonicContact OD1-CG 3.65Å; D855-H888 IonicContact OD1-ND1 3.24Å; D855-H888 PolarHBondContact OD1-ND1 2.97Å
856	T	96.7	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-37.3	176.2	-68.8	0	0	0	0	111	M672 Y783 C849 D851 S853 Q854 F860	M672-T856 VanDerWaalsContact CE-OG1 3.29Å; M672-T856 WeakPolarHBondContact CE-OG1 3.23Å; Y783-T856 WeakPolarHBondContact OH-CG2 3.33Å; Y783-T856 PolarHBondContact OH-OG1 3.26Å; C849-T856 HydrophobicContact CB-CG2 3.7Å; D851-T856 WeakPolarHBondContact O-CG2 3.2Å; D851-T856 WeakPolarHBondContact OD1-CB 3.29Å; D851-T856 PolarHBondContact OD1-OG1 3.04Å; D851-T856 PolarHBondContact OD2-OG1 3.22Å; S853-T856 PolarHBondContact O-N 2.93Å; S853-T856 PolarHBondContact OG-N 3.18Å; S853-T856 PolarHBondContact OG-OG1 2.86Å; Q854-T856 VanDerWaalsContact C-N 3.34Å; Q854-T856 PolarHBondContact O-N 2.94Å; T856-F860 HydrophobicContact CG2-CD2 4.04Å; T856-F860 HydrophobicContact CG2-CE2 4.24Å; T856-F860 VanDerWaalsContact O-CD2 3.27Å; T856-F860 WeakPolarHBondContact O-CD2 3.25Å; T856-F860 PolarHBondContact O-N 3.19Å; T856-F860 VanDerWaalsContact O-N 3.12Å
857	L	96.8	Very high	96.1	Very high	75 Å²	75	51.8 Å²	51.8	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-66.3	-46.2	177.7	-63.2	176.4	0	0	0	111.7	S853 Q854 L859 F860 D861	S853-L857 WeakPolarHBondContact O-CG 3.34Å; S853-L857 PolarHBondContact O-N 3.12Å; Q854-L857 CarbonylContact O-C 3.57Å; Q854-L857 PolarHBondContact O-N 3.21Å; L857-L859 VanDerWaalsContact C-N 3.34Å; L857-L859 PolarHBondContact O-N 3.18Å; L857-F860 PolarHBondContact O-N 3.27Å; L857-D861 WeakPolarHBondContact O-CB 3.35Å; L857-D861 PolarHBondContact O-N 2.91Å
858	D	97.3	Very high	96.3	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-35.3	179.6	-63.1	-24.9	0	0	0	112.3	Q854 L862 H883 F885 H888	Q854-D858 PolarHBondContact NE2-OD1 3.27Å; Q854-D858 VanDerWaalsContact O-CG 3.26Å; Q854-D858 PolarHBondContact O-N 3.47Å; D858-L862 WeakPolarHBondContact O-CB 3.46Å; D858-L862 PolarHBondContact O-N 3.31Å; D858-H883 PolarHBondContact O-CE1 2.92Å; D858-F885 HydrophobicContact CB-CB 3.82Å; D858-F885 HydrophobicContact CB-CD2 4.21Å; D858-F885 HydrophobicContact CB-CG 4.49Å; D858-H888 IonicContact OD2-CE1 2.73Å
859	L	98.1	Very high	96.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-48.7	171.4	170.3	60.2	0	0	0	110.9	M672 V675 M779 Y783 D855 L857 L862 M863 F885	M672-L859 HydrophobicContact CE-CB 4.5Å; M672-L859 HydrophobicContact CE-CD2 3.84Å; M672-L859 HydrophobicContact SD-CD2 3.84Å; V675-L859 HydrophobicContact CG1-CD1 4.16Å; V675-L859 HydrophobicContact CG1-CD2 4.23Å; M779-L859 HydrophobicContact CB-CD1 4.46Å; M779-L859 HydrophobicContact CE-CD1 3.44Å; M779-L859 VanDerWaalsContact CE-CD1 3.44Å; Y783-L859 HydrophobicContact CD2-CD2 3.51Å; Y783-L859 HydrophobicContact CE2-CD2 4.03Å; Y783-L859 HydrophobicContact CG-CD2 3.8Å; D855-L859 WeakPolarHBondContact O-CB 3.29Å; D855-L859 PolarHBondContact O-N 2.96Å; D855-L859 VanDerWaalsContact O-N 3.17Å; L857-L859 VanDerWaalsContact C-N 3.34Å; L857-L859 PolarHBondContact O-N 3.18Å; L859-L862 PolarHBondContact O-N 2.97Å; L859-M863 HydrophobicContact CD1-CE 4.39Å; L859-M863 HydrophobicContact CD1-CG 4.25Å; L859-M863 HydrophobicContact CD1-SD 4.23Å; L859-M863 HydrophobicContact CG-CE 4.03Å; L859-M863 HydrophobicContact CG-SD 4.49Å; L859-M863 WeakPolarHBondContact O-CG 3.35Å; L859-M863 PolarHBondContact O-N 3.47Å; L859-F885 HydrophobicContact CB-CD2 3.89Å; L859-F885 HydrophobicContact CB-CE2 3.66Å; L859-F885 HydrophobicContact CB-CZ 4.06Å; L859-F885 HydrophobicContact CD1-CE1 3.94Å; L859-F885 HydrophobicContact CD1-CE2 4.32Å; L859-F885 HydrophobicContact CD1-CZ 3.81Å; L859-F885 HydrophobicContact CG-CE2 4.44Å; L859-F885 HydrophobicContact CG-CZ 4.37Å
860	F	98.1	Very high	96.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-73.5	-30.7	-177.7	-87.6	-100.1	0	0	0	113.1	Y783 L845 L846 C849 T856 L857 M863 S864	Y783-F860 AromaticContact CD1-CE2 3.85Å; Y783-F860 HydrophobicContact CD1-CE2 3.85Å; Y783-F860 HydrophobicContact CD1-CZ 4.08Å; Y783-F860 AromaticContact CE1-CE2 3.59Å; Y783-F860 HydrophobicContact CE1-CE2 3.59Å; Y783-F860 AromaticContact CE1-CZ 3.94Å; Y783-F860 HydrophobicContact CE1-CZ 3.94Å; L845-F860 HydrophobicContact CD1-CD1 4.44Å; L845-F860 HydrophobicContact CD1-CE1 4.21Å; L845-F860 HydrophobicContact CG-CD1 4.02Å; L845-F860 HydrophobicContact CG-CE1 4.24Å; L845-F860 WeakPolarHBondContact O-CE1 3.3Å; L846-F860 HydrophobicContact CD2-CB 3.97Å; C849-F860 VanDerWaalsContact SG-CD2 3.6Å; C849-F860 VanDerWaalsContact SG-CG 3.51Å; T856-F860 HydrophobicContact CG2-CD2 4.04Å; T856-F860 HydrophobicContact CG2-CE2 4.24Å; T856-F860 VanDerWaalsContact O-CD2 3.27Å; T856-F860 WeakPolarHBondContact O-CD2 3.25Å; T856-F860 PolarHBondContact O-N 3.19Å; T856-F860 VanDerWaalsContact O-N 3.12Å; L857-F860 PolarHBondContact O-N 3.27Å; F860-M863 HydrophobicContact CB-CE 4.29Å; F860-M863 HydrophobicContact CD1-CE 3.56Å; F860-M863 HydrophobicContact CD2-CE 3.55Å; F860-M863 HydrophobicContact CE1-CE 3.57Å; F860-M863 HydrophobicContact CE2-CE 3.6Å; F860-M863 HydrophobicContact CG-CE 3.55Å; F860-M863 HydrophobicContact CZ-CE 3.61Å; F860-S864 WeakPolarHBondContact O-CB 3.49Å; F860-S864 PolarHBondContact O-N 3.15Å
861	D	98	Very high	97	Very high	59 Å²	59	42.2 Å²	42.2	32%	0.316	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-47.7	169.4	-177.9	39	0	0	0	110.9	L857 S864 K865 H883	L857-D861 WeakPolarHBondContact O-CB 3.35Å; L857-D861 PolarHBondContact O-N 2.91Å; D861-S864 PolarHBondContact O-N 3.11Å; D861-S864 PolarHBondContact O-OG 3.28Å; D861-K865 WeakPolarHBondContact O-CG 3.29Å; D861-K865 PolarHBondContact O-N 2.87Å; D861-K865 WeakPolarHBondContact OD1-CE 3.48Å; D861-K865 IonicContact OD1-NZ 3.8Å; D861-K865 PolarHBondContact OD1-NZ 2.79Å; D861-K865 IonicContact OD2-NZ 3.82Å; D861-K865 PolarHBondContact OD2-NZ 2.8Å; D861-H883 IonicContact OD2-CE1 2.71Å; D861-H883 PolarHBondContact OD2-CE1 3.46Å; D861-H883 VanDerWaalsContact OD2-CE1 3.26Å; D861-H883 IonicContact OD2-NE2 3.39Å; D861-H883 PolarHBondContact OD2-NE2 3.19Å
862	L	98.5	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-48.2	174.9	-176.1	52.5	0	0	0	112.2	M779 D858 L859 S864 K865 M866 I875 A880 H883 F885 F886	M779-L862 HydrophobicContact CE-CD2 3.86Å; M779-L862 HydrophobicContact CE-CG 4.42Å; M779-L862 HydrophobicContact SD-CD2 4.27Å; M779-L862 HydrophobicContact SD-CG 4.42Å; D858-L862 WeakPolarHBondContact O-CB 3.46Å; D858-L862 PolarHBondContact O-N 3.31Å; L859-L862 PolarHBondContact O-N 2.97Å; L862-S864 VanDerWaalsContact C-N 3.26Å; L862-S864 PolarHBondContact O-N 3.01Å; L862-K865 PolarHBondContact O-N 2.83Å; L862-K865 VanDerWaalsContact O-N 3.16Å; L862-M866 HydrophobicContact CD1-CE 3.96Å; L862-M866 HydrophobicContact CD1-CG 4.42Å; L862-M866 HydrophobicContact CD2-CE 4.24Å; L862-M866 HydrophobicContact CG-CE 4Å; L862-M866 HydrophobicContact CG-SD 4.25Å; L862-M866 WeakPolarHBondContact O-CG 3.5Å; L862-M866 PolarHBondContact O-N 3.36Å; L862-I875 HydrophobicContact CD1-CD1 4.22Å; L862-A880 HydrophobicContact CD1-CB 4.18Å; L862-H883 HydrophobicContact CD1-CB 4.03Å; L862-H883 HydrophobicContact CD2-CB 4.26Å; L862-H883 PolarHBondContact N-CE1 3.42Å; L862-F885 HydrophobicContact CD2-CB 4.39Å; L862-F885 HydrophobicContact CD2-CD1 3.95Å; L862-F886 HydrophobicContact CD2-CD2 4.34Å; L862-F886 HydrophobicContact CD2-CE1 4.46Å; L862-F886 HydrophobicContact CD2-CE2 3.64Å; L862-F886 HydrophobicContact CD2-CZ 3.71Å
863	M	98.5	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-36.6	176.4	-72.4	-171.8	-54.7	0	0	112	M779 F780 L845 L859 F860 K865 M866 L867	M779-M863 HydrophobicContact CB-CG 3.79Å; M779-M863 HydrophobicContact CB-SD 3.76Å; M779-M863 HydrophobicContact SD-CG 4.27Å; F780-M863 VanDerWaalsContact CA-SD 3.59Å; F780-M863 HydrophobicContact CB-SD 3.81Å; F780-M863 PolarHBondContact N-SD 2.52Å; F780-M863 VanDerWaalsContact N-SD 3.36Å; L845-M863 HydrophobicContact CD2-CB 4.46Å; L859-M863 HydrophobicContact CD1-CE 4.39Å; L859-M863 HydrophobicContact CD1-CG 4.25Å; L859-M863 HydrophobicContact CD1-SD 4.23Å; L859-M863 HydrophobicContact CG-CE 4.03Å; L859-M863 HydrophobicContact CG-SD 4.49Å; L859-M863 WeakPolarHBondContact O-CG 3.35Å; L859-M863 PolarHBondContact O-N 3.47Å; F860-M863 HydrophobicContact CB-CE 4.29Å; F860-M863 HydrophobicContact CD1-CE 3.56Å; F860-M863 HydrophobicContact CD2-CE 3.55Å; F860-M863 HydrophobicContact CE1-CE 3.57Å; F860-M863 HydrophobicContact CE2-CE 3.6Å; F860-M863 HydrophobicContact CG-CE 3.55Å; F860-M863 HydrophobicContact CZ-CE 3.61Å; M863-K865 VanDerWaalsContact C-N 3.33Å; M863-K865 PolarHBondContact O-N 3.49Å; M863-M866 PolarHBondContact O-N 3.23Å; M863-L867 VanDerWaalsContact O-CB 3.28Å; M863-L867 WeakPolarHBondContact O-CB 3.19Å; M863-L867 VanDerWaalsContact O-CG 3.26Å; M863-L867 WeakPolarHBondContact O-CG 3.49Å; M863-L867 PolarHBondContact O-N 3.48Å
864	S	98.4	Very high	97.7	Very high	51 Å²	51	37.3 Å²	37.3	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-64	-37.7	177.4	77.8	0	0	0	0	112.6	F860 D861 L862 L867 E868	F860-S864 WeakPolarHBondContact O-CB 3.49Å; F860-S864 PolarHBondContact O-N 3.15Å; D861-S864 PolarHBondContact O-N 3.11Å; D861-S864 PolarHBondContact O-OG 3.28Å; L862-S864 VanDerWaalsContact C-N 3.26Å; L862-S864 PolarHBondContact O-N 3.01Å; S864-L867 CarbonylContact O-C 3.58Å; S864-L867 PolarHBondContact O-N 3.34Å; S864-E868 PolarHBondContact O-N 3.14Å
865	K	98.6	Very high	97.9	Very high	74 Å²	74	33.1 Å²	33.1	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-75.5	-27.8	177.8	-63.9	165.3	-169.9	162.8	0	112.9	D861 L862 M863 I875 H883	D861-K865 WeakPolarHBondContact O-CG 3.29Å; D861-K865 PolarHBondContact O-N 2.87Å; D861-K865 WeakPolarHBondContact OD1-CE 3.48Å; D861-K865 IonicContact OD1-NZ 3.8Å; D861-K865 PolarHBondContact OD1-NZ 2.79Å; D861-K865 IonicContact OD2-NZ 3.82Å; D861-K865 PolarHBondContact OD2-NZ 2.8Å; L862-K865 PolarHBondContact O-N 2.83Å; L862-K865 VanDerWaalsContact O-N 3.16Å; M863-K865 VanDerWaalsContact C-N 3.33Å; M863-K865 PolarHBondContact O-N 3.49Å; K865-I875 HydrophobicContact CB-CB 3.98Å; K865-I875 HydrophobicContact CB-CD1 4.38Å; K865-I875 HydrophobicContact CB-CG2 3.84Å; K865-I875 HydrophobicContact CD-CD1 4.35Å; K865-I875 WeakPolarHBondContact O-CG2 3.4Å; K865-I875 PolarHBondContact O-N 2.8Å; K865-I875 VanDerWaalsContact O-N 3.12Å; K865-H883 PolarHBondContact NZ-NE2 3.11Å
866	M	98.8	Very high	98	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-30.4	171.5	-70.7	179.6	166.3	0	0	112.7	V772 W773 I775 M779 L862 M863 E868 R874 I875 A880	V772-M866 HydrophobicContact CG1-CB 4.02Å; V772-M866 HydrophobicContact CG1-CG 3.8Å; W773-M866 WeakPolarHBondContact CA-O 3.46Å; I775-M866 HydrophobicContact CB-SD 4.43Å; I775-M866 HydrophobicContact CG2-CE 3.81Å; I775-M866 HydrophobicContact CG2-SD 3.8Å; M779-M866 HydrophobicContact SD-CE 3.98Å; M779-M866 HydrophobicContact SD-SD 3.52Å; L862-M866 HydrophobicContact CD1-CE 3.96Å; L862-M866 HydrophobicContact CD1-CG 4.42Å; L862-M866 HydrophobicContact CD2-CE 4.24Å; L862-M866 HydrophobicContact CG-CE 4Å; L862-M866 HydrophobicContact CG-SD 4.25Å; L862-M866 WeakPolarHBondContact O-CG 3.5Å; L862-M866 PolarHBondContact O-N 3.36Å; M863-M866 PolarHBondContact O-N 3.23Å; M866-E868 VanDerWaalsContact C-N 3.33Å; M866-R874 WeakPolarHBondContact O-CD 3.24Å; M866-R874 WeakPolarHBondContact O-CG 3.46Å; M866-I875 HydrophobicContact CB-CG2 4.49Å; M866-I875 HydrophobicContact CG-CG2 3.75Å; M866-A880 HydrophobicContact CE-CB 3.98Å
867	L	98.8	Very high	98.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	20%	0.198	C	C	.	.	S	Bend	trans	-96.7	23	178.4	-62.5	171.2	0	0	0	112.5	W773 L788 L805 L845 M863 S864	W773-L867 HydrophobicContact CD2-CD2 3.75Å; W773-L867 HydrophobicContact CE3-CB 4.43Å; W773-L867 HydrophobicContact CE3-CD2 4.1Å; W773-L867 HydrophobicContact CG-CD2 4.12Å; W773-L867 HydrophobicContact CH2-CD2 4.48Å; W773-L867 HydrophobicContact CZ2-CD2 4.13Å; W773-L867 HydrophobicContact CZ3-CB 4.31Å; W773-L867 HydrophobicContact CZ3-CD2 4.46Å; W773-L867 WeakPolarHBondContact CZ3-O 3.48Å; L788-L867 HydrophobicContact CD2-CD1 3.57Å; L805-L867 HydrophobicContact CD1-CB 4.21Å; L805-L867 HydrophobicContact CD2-CB 3.96Å; L805-L867 HydrophobicContact CD2-CD1 4.34Å; L845-L867 HydrophobicContact CD1-CD1 4.49Å; L845-L867 HydrophobicContact CD2-CD1 4.18Å; M863-L867 VanDerWaalsContact O-CB 3.28Å; M863-L867 WeakPolarHBondContact O-CB 3.19Å; M863-L867 VanDerWaalsContact O-CG 3.26Å; M863-L867 WeakPolarHBondContact O-CG 3.49Å; M863-L867 PolarHBondContact O-N 3.48Å; S864-L867 CarbonylContact O-C 3.58Å; S864-L867 PolarHBondContact O-N 3.34Å
868	E	98.6	Very high	98.1	Very high	73 Å²	73	33.5 Å²	33.5	34%	0.341	20%	0.197	S	C	.	.			trans	-67.4	139.5	170.2	-177.3	50.9	-104.3	0	0	110	S864 M866 D873 R874	S864-E868 PolarHBondContact O-N 3.14Å; M866-E868 VanDerWaalsContact C-N 3.33Å; E868-D873 HydrophobicContact CG-CB 3.81Å; E868-R874 HydrophobicContact CB-CB 4.23Å; E868-R874 PolarHBondContact O-NE 2.81Å; E868-R874 PolarHBondContact O-NH2 3.06Å
869	Y	98.6	Very high	98	Very high	10 Å²	10	34.6 Å²	34.6	4%	0.039	21%	0.208	C	C	.	.	S	Bend	trans	-68.9	-39.8	-173	-82.2	-70.2	0	0	0	112.7	P758 W773 M801 E802 L805 G806 I808 P809 M812 P871 R874	P758-Y869 HydrophobicContact CB-CD1 4.17Å; P758-Y869 HydrophobicContact CG-CD1 4.01Å; W773-Y869 HydrophobicContact CH2-CD1 4.45Å; W773-Y869 HydrophobicContact CH2-CE1 4.39Å; W773-Y869 HydrophobicContact CZ3-CD1 4.49Å; M801-Y869 HydrophobicContact CB-CE1 4.11Å; M801-Y869 WeakPolarHBondContact CB-OH 3.49Å; M801-Y869 PolarHBondContact O-OH 3.4Å; M801-Y869 HydrophobicContact SD-CE1 4.25Å; E802-Y869 PolarHBondContact N-OH 2.89Å; L805-Y869 HydrophobicContact CB-CE2 3.8Å; L805-Y869 HydrophobicContact CD1-CE2 4.46Å; G806-Y869 WeakPolarHBondContact O-CE2 3.48Å; G806-Y869 PolarHBondContact O-OH 2.98Å; I808-Y869 HydrophobicContact CB-CE1 4.43Å; I808-Y869 HydrophobicContact CG1-CD1 4.18Å; I808-Y869 HydrophobicContact CG1-CE1 3.56Å; P809-Y869 HydrophobicContact CG-CG 4.36Å; M812-Y869 WeakPolarHBondContact CE-O 3.22Å; Y869-P871 WeakPolarHBondContact O-CD 3.43Å; Y869-R874 PolarHBondContact O-NH2 3.44Å
870	D	97.3	Very high	98	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.139	21%	0.208	C	C	.	.			trans	-77.3	124.3	175.7	-145.8	12	0	0	0	111	R811 A872 D873 R874	R811-D870 IonicContact CZ-OD1 3.86Å; R811-D870 VanDerWaalsContact CZ-OD1 3.29Å; R811-D870 IonicContact CZ-OD2 3.99Å; R811-D870 IonicContact NE-OD2 3.62Å; R811-D870 IonicContact NH1-OD1 2.61Å; R811-D870 PolarHBondContact NH1-OD1 2.99Å; R811-D870 IonicContact NH1-OD2 2.87Å; R811-D870 PolarHBondContact NH1-OD2 2.99Å; R811-D870 IonicContact NH2-OD1 2.88Å; R811-D870 PolarHBondContact NH2-OD1 2.88Å; R811-D870 IonicContact NH2-OD2 3.46Å; R811-D870 PolarHBondContact NH2-OD2 3.02Å; D870-A872 PolarHBondContact O-N 3.26Å; D870-D873 HydrophobicContact CB-CB 3.82Å; D870-D873 VanDerWaalsContact CB-OD2 3.22Å; D870-D873 WeakPolarHBondContact CB-OD2 3.45Å; D870-D873 PolarHBondContact O-N 3.32Å; D870-D873 VanDerWaalsContact O-N 3.14Å; D870-R874 VanDerWaalsContact O-CB 3.28Å; D870-R874 WeakPolarHBondContact O-CB 3.22Å; D870-R874 PolarHBondContact O-N 3.24Å
871	P	98	Very high	97.9	Very high	37 Å²	37	35.8 Å²	35.8	24%	0.24	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.9	166.3	23.2	-35.3	0	0	0	113.5	E759 P769 Y869	E759-P871 HydrophobicContact CB-CG 4.19Å; E759-P871 HydrophobicContact CG-CB 4.38Å; E759-P871 HydrophobicContact CG-CG 4.07Å; P769-P871 HydrophobicContact CB-CB 3.57Å; P769-P871 WeakPolarHBondContact CB-O 3.38Å; P769-P871 HydrophobicContact CG-CB 3.94Å; P769-P871 VanDerWaalsContact CG-O 3.25Å; P769-P871 WeakPolarHBondContact CG-O 3.4Å; Y869-P871 WeakPolarHBondContact O-CD 3.43Å
872	A	97	Very high	97.8	Very high	83 Å²	83	37.7 Å²	37.7	69%	0.686	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-24.7	176.3	0	0	0	0	0	115.1	D870	D870-A872 PolarHBondContact O-N 3.26Å
873	D	97.7	Very high	97.7	Very high	110 Å²	110	38.2 Å²	38.2	59%	0.588	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.7	177.2	-62.8	-43.9	0	0	0	111.4	E868 D870	E868-D873 HydrophobicContact CG-CB 3.81Å; D870-D873 HydrophobicContact CB-CB 3.82Å; D870-D873 VanDerWaalsContact CB-OD2 3.22Å; D870-D873 WeakPolarHBondContact CB-OD2 3.45Å; D870-D873 PolarHBondContact O-N 3.32Å; D870-D873 VanDerWaalsContact O-N 3.14Å
874	R	98.6	Very high	97.6	Very high	11 Å²	11	40.9 Å²	40.9	4%	0.042	25%	0.248	C	C	.	.	S	Bend	trans	-64.3	140.4	179.7	-167.7	-180	-60.3	150.5	8.3	112.3	E759 P769 V772 M866 E868 Y869 D870	E759-R874 IonicContact OE1-CZ 2.73Å; E759-R874 IonicContact OE1-NH1 3.68Å; E759-R874 PolarHBondContact OE1-NH1 3.48Å; E759-R874 IonicContact OE1-NH2 2.81Å; E759-R874 IonicContact OE2-CZ 3.73Å; E759-R874 IonicContact OE2-NH1 3.83Å; E759-R874 PolarHBondContact OE2-NH1 3.26Å; E759-R874 IonicContact OE2-NH2 3.06Å; E759-R874 PolarHBondContact OE2-NH2 2.99Å; P769-R874 VanDerWaalsContact C-NH1 3.32Å; P769-R874 WeakPolarHBondContact O-CD 3.35Å; P769-R874 PolarHBondContact O-NH1 3.41Å; V772-R874 HydrophobicContact CB-CG 4.37Å; V772-R874 HydrophobicContact CG1-CG 3.99Å; M866-R874 WeakPolarHBondContact O-CD 3.24Å; M866-R874 WeakPolarHBondContact O-CG 3.46Å; E868-R874 HydrophobicContact CB-CB 4.23Å; E868-R874 PolarHBondContact O-NE 2.81Å; E868-R874 PolarHBondContact O-NH2 3.06Å; Y869-R874 PolarHBondContact O-NH2 3.44Å; D870-R874 VanDerWaalsContact O-CB 3.28Å; D870-R874 WeakPolarHBondContact O-CB 3.22Å; D870-R874 PolarHBondContact O-N 3.24Å
875	I	98.6	Very high	97.6	Very high	24 Å²	24	38.5 Å²	38.5	12%	0.123	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-63.1	123.6	-173.2	-168.9	171.1	0	0	0	112.7	V772 L862 K865 M866 A879 A880	V772-I875 HydrophobicContact CG1-CG2 4.27Å; V772-I875 WeakPolarHBondContact CG1-O 3.49Å; L862-I875 HydrophobicContact CD1-CD1 4.22Å; K865-I875 HydrophobicContact CB-CB 3.98Å; K865-I875 HydrophobicContact CB-CD1 4.38Å; K865-I875 HydrophobicContact CB-CG2 3.84Å; K865-I875 HydrophobicContact CD-CD1 4.35Å; K865-I875 WeakPolarHBondContact O-CG2 3.4Å; K865-I875 PolarHBondContact O-N 2.8Å; K865-I875 VanDerWaalsContact O-N 3.12Å; M866-I875 HydrophobicContact CB-CG2 4.49Å; M866-I875 HydrophobicContact CG-CG2 3.75Å; I875-A879 HydrophobicContact CD1-CB 4.23Å; I875-A879 HydrophobicContact CG1-CB 3.86Å; I875-A880 HydrophobicContact CD1-CB 4.21Å; I875-A880 HydrophobicContact CG1-CB 4.37Å; I875-A880 HydrophobicContact CG2-CB 4.48Å
876	P	98.1	Very high	97.5	Very high	72 Å²	72	35.2 Å²	35.2	47%	0.468	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-70.5	148.5	173.5	29.3	-34.5	0	0	0	110.6	S878 A879 A880	P876-S878 PolarHBondContact O-N 2.65Å; P876-S878 VanDerWaalsContact O-N 3.14Å; P876-A879 HydrophobicContact CG-CB 4.03Å; P876-A879 WeakPolarHBondContact O-CA 3.33Å; P876-A879 PolarHBondContact O-N 3.15Å; P876-A880 PolarHBondContact O-N 3.31Å
877	L	97.9	Very high	97	Very high	4 Å²	4	40 Å²	40	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-27.1	-175	-64.4	-178.2	0	0	0	113.8	C683 V686 R687 V772 I775 A879 A880 L881	C683-L877 HydrophobicContact CB-CD2 4.3Å; V686-L877 HydrophobicContact CB-CD1 3.73Å; V686-L877 HydrophobicContact CG1-CD1 3.57Å; R687-L877 HydrophobicContact CB-CB 3.87Å; R687-L877 HydrophobicContact CB-CD1 4.29Å; R687-L877 HydrophobicContact CG-CB 4.31Å; V772-L877 HydrophobicContact CG1-CD2 4.39Å; V772-L877 HydrophobicContact CG2-CD2 3.96Å; V772-L877 HydrophobicContact CG2-CG 3.97Å; I775-L877 HydrophobicContact CD1-CD1 4.08Å; I775-L877 HydrophobicContact CD1-CD2 3.92Å; L877-A879 VanDerWaalsContact C-N 3.3Å; L877-A879 PolarHBondContact O-N 2.62Å; L877-A880 HydrophobicContact CD2-CB 4.3Å; L877-A880 PolarHBondContact O-N 2.74Å; L877-L881 WeakPolarHBondContact O-CG 3.39Å; L877-L881 PolarHBondContact O-N 2.87Å
878	S	95.6	Very high	96.5	Very high	54 Å²	54	44.1 Å²	44.1	38%	0.378	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-37.2	170.4	52.8	0	0	0	0	113.2	P876	P876-S878 PolarHBondContact O-N 2.65Å; P876-S878 VanDerWaalsContact O-N 3.14Å
879	A	97	Very high	96.1	Very high	36 Å²	36	40.9 Å²	40.9	30%	0.298	25%	0.246	S	C	.	.	H	α-helix	trans	-83.4	-36.9	173.3	0	0	0	0	0	111.9	I875 P876 L877 L881 T882	I875-A879 HydrophobicContact CD1-CB 4.23Å; I875-A879 HydrophobicContact CG1-CB 3.86Å; P876-A879 HydrophobicContact CG-CB 4.03Å; P876-A879 WeakPolarHBondContact O-CA 3.33Å; P876-A879 PolarHBondContact O-N 3.15Å; L877-A879 VanDerWaalsContact C-N 3.3Å; L877-A879 PolarHBondContact O-N 2.62Å; A879-L881 VanDerWaalsContact C-N 3.29Å; A879-L881 PolarHBondContact O-N 3.47Å; A879-T882 PolarHBondContact O-N 2.96Å; A879-T882 PolarHBondContact O-OG1 2.96Å
880	A	97.8	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-40.8	177.5	0	0	0	0	0	112.2	L862 M866 I875 P876 L877 T882 H883 F886	L862-A880 HydrophobicContact CD1-CB 4.18Å; M866-A880 HydrophobicContact CE-CB 3.98Å; I875-A880 HydrophobicContact CD1-CB 4.21Å; I875-A880 HydrophobicContact CG1-CB 4.37Å; I875-A880 HydrophobicContact CG2-CB 4.48Å; P876-A880 PolarHBondContact O-N 3.31Å; L877-A880 HydrophobicContact CD2-CB 4.3Å; L877-A880 PolarHBondContact O-N 2.74Å; A880-T882 PolarHBondContact O-N 3.35Å; A880-H883 WeakPolarHBondContact O-CB 3.37Å; A880-H883 PolarHBondContact O-N 3.44Å; A880-H883 VanDerWaalsContact O-N 3.09Å; A880-F886 WeakPolarHBondContact O-CD2 3.48Å; A880-F886 VanDerWaalsContact O-CE2 3.31Å; A880-F886 WeakPolarHBondContact O-CE2 3.44Å
881	L	95.5	Very high	95.1	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.126	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.6	176.5	-72.6	166.3	0	0	0	114.3	Y680 C683 R687 L877 A879	Y680-L881 HydrophobicContact CD2-CD2 3.64Å; Y680-L881 HydrophobicContact CE2-CD2 3.66Å; Y680-L881 HydrophobicContact CG-CD2 4.47Å; C683-L881 HydrophobicContact CB-CD2 3.71Å; C683-L881 HydrophobicContact CB-CG 4.1Å; R687-L881 HydrophobicContact CB-CD1 4.33Å; L877-L881 WeakPolarHBondContact O-CG 3.39Å; L877-L881 PolarHBondContact O-N 2.87Å; A879-L881 VanDerWaalsContact C-N 3.29Å; A879-L881 PolarHBondContact O-N 3.47Å
882	T	95.2	Very high	94.5	Very high	100 Å²	100	52.1 Å²	52.1	61%	0.613	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	4.3	175.6	63.3	0	0	0	0	113.8	A879 A880	A879-T882 PolarHBondContact O-N 2.96Å; A879-T882 PolarHBondContact O-OG1 2.96Å; A880-T882 PolarHBondContact O-N 3.35Å
883	H	97.6	Very high	94	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.046	29%	0.288	C	S	.	.	S	Bend	trans	-66.8	144.2	-176.6	-158	-98	0	0	0	112.5	D858 D861 L862 K865 A880 F885 F886 L887	D858-H883 PolarHBondContact O-CE1 2.92Å; D861-H883 IonicContact OD2-CE1 2.71Å; D861-H883 PolarHBondContact OD2-CE1 3.46Å; D861-H883 VanDerWaalsContact OD2-CE1 3.26Å; D861-H883 IonicContact OD2-NE2 3.39Å; D861-H883 PolarHBondContact OD2-NE2 3.19Å; L862-H883 HydrophobicContact CD1-CB 4.03Å; L862-H883 HydrophobicContact CD2-CB 4.26Å; L862-H883 PolarHBondContact N-CE1 3.42Å; K865-H883 PolarHBondContact NZ-NE2 3.11Å; A880-H883 WeakPolarHBondContact O-CB 3.37Å; A880-H883 PolarHBondContact O-N 3.44Å; A880-H883 VanDerWaalsContact O-N 3.09Å; H883-F885 PolarHBondContact O-N 3.21Å; H883-F886 PolarHBondContact O-N 3.14Å; H883-L887 PolarHBondContact O-N 3.46Å
884	P	96.7	Very high	93.4	Very high	57 Å²	57	50.6 Å²	50.6	37%	0.37	28%	0.281	S	S	.	.	H	α-helix	trans	-45.9	-40.4	177.4	-33.4	37.2	0	0	0	114.7	F886 L887	P884-F886 PolarHBondContact O-N 3.08Å; P884-F886 VanDerWaalsContact O-N 3.09Å; P884-L887 WeakPolarHBondContact O-CB 3.13Å; P884-L887 PolarHBondContact O-N 3.4Å
885	F	97.2	Very high	92.8	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-49.6	-37.2	175.4	-176.9	-120.3	0	0	0	114.3	M672 R676 M779 D858 L859 L862 H883	M672-F885 HydrophobicContact SD-CE2 3.78Å; M672-F885 HydrophobicContact SD-CZ 4.09Å; R676-F885 HydrophobicContact CB-CE1 3.96Å; R676-F885 HydrophobicContact CB-CE2 4.21Å; R676-F885 HydrophobicContact CB-CZ 3.6Å; R676-F885 WeakPolarHBondContact CD-O 3.39Å; R676-F885 HydrophobicContact CG-CD1 4.36Å; R676-F885 HydrophobicContact CG-CE1 3.95Å; R676-F885 HydrophobicContact CG-CE2 4.34Å; R676-F885 HydrophobicContact CG-CZ 3.94Å; R676-F885 PolarHBondContact NE-O 2.89Å; M779-F885 HydrophobicContact CE-CD1 4Å; M779-F885 HydrophobicContact CE-CE1 3.64Å; D858-F885 HydrophobicContact CB-CB 3.82Å; D858-F885 HydrophobicContact CB-CD2 4.21Å; D858-F885 HydrophobicContact CB-CG 4.49Å; L859-F885 HydrophobicContact CB-CD2 3.89Å; L859-F885 HydrophobicContact CB-CE2 3.66Å; L859-F885 HydrophobicContact CB-CZ 4.06Å; L859-F885 HydrophobicContact CD1-CE1 3.94Å; L859-F885 HydrophobicContact CD1-CE2 4.32Å; L859-F885 HydrophobicContact CD1-CZ 3.81Å; L859-F885 HydrophobicContact CG-CE2 4.44Å; L859-F885 HydrophobicContact CG-CZ 4.37Å; L862-F885 HydrophobicContact CD2-CB 4.39Å; L862-F885 HydrophobicContact CD2-CD1 3.95Å; H883-F885 PolarHBondContact O-N 3.21Å
886	F	96.4	Very high	91.7	Very high	6 Å²	6	57.8 Å²	57.8	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-91.1	-15.8	178.4	-61	-44.4	0	0	0	113.7	R676 Y680 L862 A880 H883 P884 H888 L889	R676-F886 HydrophobicContact CG-CD1 3.93Å; R676-F886 HydrophobicContact CG-CE1 4.46Å; Y680-F886 HydrophobicContact CD2-CB 4.03Å; Y680-F886 HydrophobicContact CD2-CD1 4.09Å; Y680-F886 HydrophobicContact CD2-CD2 4.08Å; Y680-F886 AromaticContact CD2-CG 3.83Å; Y680-F886 HydrophobicContact CD2-CG 3.83Å; Y680-F886 HydrophobicContact CG-CD1 4.36Å; L862-F886 HydrophobicContact CD2-CD2 4.34Å; L862-F886 HydrophobicContact CD2-CE1 4.46Å; L862-F886 HydrophobicContact CD2-CE2 3.64Å; L862-F886 HydrophobicContact CD2-CZ 3.71Å; A880-F886 WeakPolarHBondContact O-CD2 3.48Å; A880-F886 VanDerWaalsContact O-CE2 3.31Å; A880-F886 WeakPolarHBondContact O-CE2 3.44Å; H883-F886 PolarHBondContact O-N 3.14Å; P884-F886 PolarHBondContact O-N 3.08Å; P884-F886 VanDerWaalsContact O-N 3.09Å; F886-H888 PolarHBondContact O-N 2.87Å; F886-L889 HydrophobicContact CB-CD1 4.36Å; F886-L889 HydrophobicContact CD1-CD1 4.43Å; F886-L889 VanDerWaalsContact O-CB 3.3Å; F886-L889 WeakPolarHBondContact O-CB 3.47Å; F886-L889 PolarHBondContact O-N 2.87Å
887	L	89.8	Confident	90.7	Very high	101 Å²	101	56.2 Å²	56.2	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-28.7	170.6	-56.8	-177.3	0	0	0	111.1	H883 P884 L889 R894	H883-L887 PolarHBondContact O-N 3.46Å; P884-L887 WeakPolarHBondContact O-CB 3.13Å; P884-L887 PolarHBondContact O-N 3.4Å; L887-L889 PolarHBondContact O-N 3.46Å; L887-R894 PolarHBondContact O-NH2 3.23Å
888	H	87.7	Confident	89.4	Confident	89 Å²	89	58.8 Å²	58.8	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	7.6	172.8	-61.6	177.5	0	0	0	114.2	D855 D858 F886	D855-H888 IonicContact OD1-CE1 2.82Å; D855-H888 IonicContact OD1-CG 3.65Å; D855-H888 IonicContact OD1-ND1 3.24Å; D855-H888 PolarHBondContact OD1-ND1 2.97Å; D858-H888 IonicContact OD2-CE1 2.73Å; F886-H888 PolarHBondContact O-N 2.87Å
889	L	90.5	Very high	88.1	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.334	C	S	.	.	S	Bend	trans	-74.3	133.3	167.1	-77.7	172.5	0	0	0	111.5	R676 H677 Y680 F886 L887 Q893 R894	R676-L889 HydrophobicContact CB-CD2 4.36Å; R676-L889 HydrophobicContact CG-CD2 3.68Å; R676-L889 HydrophobicContact CG-CG 3.83Å; H677-L889 HydrophobicContact CB-CD2 4.14Å; Y680-L889 HydrophobicContact CD1-CD1 3.49Å; Y680-L889 VanDerWaalsContact CD1-CD1 3.49Å; Y680-L889 HydrophobicContact CD2-CD1 3.62Å; Y680-L889 HydrophobicContact CE1-CD1 3.98Å; Y680-L889 HydrophobicContact CE2-CD1 4.09Å; Y680-L889 HydrophobicContact CG-CD1 3.28Å; F886-L889 HydrophobicContact CB-CD1 4.36Å; F886-L889 HydrophobicContact CD1-CD1 4.43Å; F886-L889 VanDerWaalsContact O-CB 3.3Å; F886-L889 WeakPolarHBondContact O-CB 3.47Å; F886-L889 PolarHBondContact O-N 2.87Å; L887-L889 PolarHBondContact O-N 3.46Å; L889-Q893 HydrophobicContact CD2-CB 4.39Å; L889-R894 HydrophobicContact CB-CG 4.05Å; L889-R894 PolarHBondContact O-NE 2.85Å; L889-R894 PolarHBondContact O-NH2 3.08Å
890	P	88.6	Confident	86.5	Confident	57 Å²	57	62.2 Å²	62.2	37%	0.37	33%	0.334	S	S	.	.			trans	-52.1	142.2	165.7	-24.4	33.8	0	0	0	111.7	H892 Q893 R894	P890-H892 VanDerWaalsContact CB-CE1 3.43Å; P890-H892 WeakPolarHBondContact CB-CE1 3.4Å; P890-H892 PolarHBondContact O-N 3.48Å; P890-H892 VanDerWaalsContact O-N 3.13Å; P890-Q893 PolarHBondContact O-N 3Å; P890-R894 PolarHBondContact O-N 2.98Å
891	S	84.9	Confident	84.6	Confident	99 Å²	99	66 Å²	66	69%	0.692	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-55.9	-34	-177.5	49.9	0	0	0	0	114	Q893 R894	S891-Q893 PolarHBondContact O-N 3.2Å; S891-R894 PolarHBondContact O-N 2.82Å
892	H	85.1	Confident	82.7	Confident	154 Å²	154	70.2 Å²	70.2	71%	0.713	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-73.8	-5.4	177.1	71.4	-92.9	0	0	0	114.9	P890	P890-H892 VanDerWaalsContact CB-CE1 3.43Å; P890-H892 WeakPolarHBondContact CB-CE1 3.4Å; P890-H892 PolarHBondContact O-N 3.48Å; P890-H892 VanDerWaalsContact O-N 3.13Å
893	Q	88.1	Confident	80.5	Confident	47 Å²	47	70.7 Å²	70.7	22%	0.22	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-108.9	-1.3	173.2	-75.8	-178.2	-13.6	0	0	112.5	L889 P890 S891	L889-Q893 HydrophobicContact CD2-CB 4.39Å; P890-Q893 PolarHBondContact O-N 3Å; S891-Q893 PolarHBondContact O-N 3.2Å
894	R	85.5	Confident	77.9	Confident	113 Å²	113	74.6 Å²	74.6	43%	0.426	40%	0.404	S	S	.	.			trans	-86.5	137.3	175.4	-61.7	-178.1	-171.7	177.6	-1.4	109.1	L887 L889 P890 S891	L887-R894 PolarHBondContact O-NH2 3.23Å; L889-R894 HydrophobicContact CB-CG 4.05Å; L889-R894 PolarHBondContact O-NE 2.85Å; L889-R894 PolarHBondContact O-NH2 3.08Å; P890-R894 PolarHBondContact O-N 2.98Å; S891-R894 PolarHBondContact O-N 2.82Å
895	L	84.5	Confident	75.4	Confident	62 Å²	62	74.8 Å²	74.8	33%	0.325	40%	0.402	S	S	.	.			trans	-105.5	134.6	-179.2	-61.8	172.6	0	0	0	109.5	L633 Y680 Q681 Y684 Y897	L633-L895 HydrophobicContact CD1-CD1 3.79Å; L633-L895 HydrophobicContact CD2-CD1 4.34Å; L633-L895 HydrophobicContact CG-CD1 4.38Å; Y680-L895 HydrophobicContact CE1-CB 4.21Å; Y680-L895 HydrophobicContact CE1-CD1 4.38Å; Y680-L895 HydrophobicContact CE1-CG 4.13Å; Y680-L895 PolarHBondContact OH-N 2.98Å; Y680-L895 PolarHBondContact OH-O 3.32Å; Q681-L895 HydrophobicContact CG-CD1 4.35Å; Y684-L895 HydrophobicContact CD1-CD1 3.71Å; Y684-L895 HydrophobicContact CD2-CB 3.81Å; Y684-L895 HydrophobicContact CD2-CD1 4.21Å; Y684-L895 HydrophobicContact CE1-CB 4.23Å; Y684-L895 HydrophobicContact CE1-CD1 3.77Å; Y684-L895 HydrophobicContact CE2-CB 3.39Å; Y684-L895 HydrophobicContact CE2-CD1 4.27Å; Y684-L895 HydrophobicContact CE2-CG 4.48Å; Y684-L895 HydrophobicContact CG-CB 4.41Å; Y684-L895 HydrophobicContact CG-CD1 3.96Å; L895-Y897 PolarHBondContact O-N 3.18Å
896	T	77	Confident	72.6	Confident	124 Å²	124	78.5 Å²	78.5	76%	0.761	43%	0.426	S	S	*	.			trans	-80.7	101.7	176.8	-63	0	0	0	0	108.3	Y684 T898	Y684-T896 PolarHBondContact OH-O 2.69Å; T896-T898 PolarHBondContact O-N 3.32Å; T896-T898 VanDerWaalsContact O-N 3.09Å
897	Y	76.4	Confident	69.9	Low	40 Å²	40	83.8 Å²	83.8	16%	0.157	46%	0.46	C	S	.	.			trans	-68.1	108.3	-178.8	-171.3	-90.9	0	0	0	111	Y684 R687 D691 L895 P899	Y684-Y897 AromaticContact CD2-CD2 3.81Å; Y684-Y897 HydrophobicContact CD2-CD2 3.81Å; Y684-Y897 AromaticContact CE2-CD2 3.6Å; Y684-Y897 HydrophobicContact CE2-CD2 3.6Å; Y684-Y897 HydrophobicContact CE2-CG 4.19Å; Y684-Y897 HydrophobicContact CG-CD2 4.5Å; R687-Y897 HydrophobicContact CB-CE2 4.33Å; R687-Y897 HydrophobicContact CG-CE2 4.07Å; R687-Y897 VanDerWaalsContact NH2-CE1 3.3Å; D691-Y897 WeakPolarHBondContact OD2-CE1 3.43Å; D691-Y897 PolarHBondContact OD2-OH 2.75Å; L895-Y897 PolarHBondContact O-N 3.18Å; Y897-P899 HydrophobicContact CD1-CG 4.06Å; Y897-P899 HydrophobicContact CE1-CB 4.18Å; Y897-P899 HydrophobicContact CE1-CG 4.07Å; Y897-P899 WeakPolarHBondContact O-CD 3.16Å
898	T	71	Confident	67.7	Low	57 Å²	57	85 Å²	85	35%	0.35	47%	0.468	S	S	.	.			trans	-87	108.4	170.1	37	0	0	0	0	109.8	E631 H632 T896 Y900	E631-T898 WeakPolarHBondContact OE2-CB 3.35Å; E631-T898 PolarHBondContact OE2-OG1 3.4Å; H632-T898 PolarHBondContact CE1-O 3Å; T896-T898 PolarHBondContact O-N 3.32Å; T896-T898 VanDerWaalsContact O-N 3.09Å; T898-Y900 PolarHBondContact O-N 3.4Å
899	P	67.3	Low	66	Low	85 Å²	85	85.8 Å²	85.8	55%	0.552	47%	0.471	S	S	*	.			trans	-71.3	124	171.1	-11.4	28.2	0	0	0	108.9	Y897	Y897-P899 HydrophobicContact CD1-CG 4.06Å; Y897-P899 HydrophobicContact CE1-CB 4.18Å; Y897-P899 HydrophobicContact CE1-CG 4.07Å; Y897-P899 WeakPolarHBondContact O-CD 3.16Å
900	Y	64.1	Low	63.8	Low	77 Å²	77	92 Å²	92	30%	0.302	49%	0.494	S	S	.	.			trans	-62.1	130.4	179	-164.5	-85.3	0	0	0	110.8	R626 T898 L902	R626-Y900 HydrophobicContact CB-CD2 3.9Å; R626-Y900 HydrophobicContact CB-CE2 3.86Å; R626-Y900 HydrophobicContact CB-CG 4.44Å; R626-Y900 HydrophobicContact CG-CD1 4.27Å; R626-Y900 HydrophobicContact CG-CD2 4.1Å; R626-Y900 HydrophobicContact CG-CE1 4.11Å; R626-Y900 HydrophobicContact CG-CE2 3.94Å; R626-Y900 HydrophobicContact CG-CG 4.27Å; T898-Y900 PolarHBondContact O-N 3.4Å; Y900-L902 PolarHBondContact O-N 3.07Å; Y900-L902 VanDerWaalsContact O-N 3.07Å
901	P	58.3	Low	61.3	Low	80 Å²	80	100.2 Å²	100.2	52%	0.519	52%	0.518	S	S	.	.			trans	-63.9	111.9	-177.1	-24.2	34.8	0	0	0	112.9	D903 T904	P901-D903 PolarHBondContact O-N 3.25Å; P901-T904 PolarHBondContact O-N 3Å
902	L	55.1	Low	59.4	Low	113 Å²	113	101.8 Å²	101.8	59%	0.592	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-58.9	-14.3	174.7	-64.3	173.1	0	0	0	113.3	Y900 T904 I905	Y900-L902 PolarHBondContact O-N 3.07Å; Y900-L902 VanDerWaalsContact O-N 3.07Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 2.85Å; L902-I905 PolarHBondContact O-N 3.06Å
903	D	47.6	Very low	57.1	Low	109 Å²	109	100.5 Å²	100.5	58%	0.583	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-70	-15.4	-179.2	-90.7	-68.1	0	0	0	115.2	P901 I905 R910	P901-D903 PolarHBondContact O-N 3.25Å; D903-I905 PolarHBondContact O-N 3.49Å; D903-R910 VanDerWaalsContact CA-NH2 3.32Å; D903-R910 PolarHBondContact O-NH2 2.84Å; D903-R910 IonicContact OD1-CZ 3.85Å; D903-R910 IonicContact OD1-NH1 3.55Å; D903-R910 PolarHBondContact OD1-NH1 3.46Å; D903-R910 IonicContact OD1-NH2 2.79Å; D903-R910 PolarHBondContact OD1-NH2 2.69Å
904	T	44.2	Very low	54.6	Low	93 Å²	93	101.9 Å²	101.9	57%	0.571	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-78.6	-4.3	176.5	61.5	0	0	0	0	113.9	P901 L902	P901-T904 PolarHBondContact O-N 3Å; L902-T904 VanDerWaalsContact C-N 3.32Å; L902-T904 PolarHBondContact O-N 2.85Å
905	I	44.8	Very low	52.2	Low	61 Å²	61	101.6 Å²	101.6	31%	0.313	57%	0.574	S	S	.	*	S	Bend	trans	-70.6	127.8	172.3	-59.6	175.8	0	0	0	109.2	L902 D903 E909 R910	L902-I905 PolarHBondContact O-N 3.06Å; D903-I905 PolarHBondContact O-N 3.49Å; I905-E909 HydrophobicContact CG2-CB 4.02Å; I905-E909 WeakPolarHBondContact CG2-OE2 3.49Å; I905-R910 PolarHBondContact O-NE 3.05Å
906	P	38.1	Very low	49.9	Very low	78 Å²	78	110.1 Å²	110.1	51%	0.506	60%	0.602	S	S	.	*			trans	-60.5	151.9	-173.4	22.6	-33.2	0	0	0	112.7	N908 E909	P906-N908 PolarHBondContact O-N 3.04Å; P906-E909 PolarHBondContact O-N 3.36Å
907	P	38.3	Very low	47.9	Very low	116 Å²	116	109.5 Å²	109.5	75%	0.753	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-3.7	-159.6	-26	36.2	0	0	0	117.7
908	N	44.2	Very low	45.8	Very low	128 Å²	128	110.7 Å²	110.7	68%	0.684	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-6.7	-171.5	-143.9	2.6	0	0	0	114.1	R508 P906	R508-N908 PolarHBondContact NH1-O 2.92Å; R508-N908 PolarHBondContact NH2-O 2.83Å; P906-N908 PolarHBondContact O-N 3.04Å
909	E	51.9	Low	44.2	Very low	104 Å²	104	114.2 Å²	114.2	49%	0.486	65%	0.649	S	S	.	*	S	Bend	trans	-107	-13.4	-176.6	-76.3	157.7	-165.2	0	0	113.7	I905 P906 R911	I905-E909 HydrophobicContact CG2-CB 4.02Å; I905-E909 WeakPolarHBondContact CG2-OE2 3.49Å; P906-E909 PolarHBondContact O-N 3.36Å; E909-R911 PolarHBondContact O-N 2.87Å
910	R	44	Very low	42.5	Very low	134 Å²	134	117 Å²	117	51%	0.506	66%	0.664	S	S	.	*			trans	-74.9	35.6	-175	-56	176.9	173	-141.9	11.4	115.5	D903 I905	D903-R910 VanDerWaalsContact CA-NH2 3.32Å; D903-R910 PolarHBondContact O-NH2 2.84Å; D903-R910 IonicContact OD1-CZ 3.85Å; D903-R910 IonicContact OD1-NH1 3.55Å; D903-R910 PolarHBondContact OD1-NH1 3.46Å; D903-R910 IonicContact OD1-NH2 2.79Å; D903-R910 PolarHBondContact OD1-NH2 2.69Å; I905-R910 PolarHBondContact O-NE 3.05Å
911	R	37.7	Very low	41.3	Very low	230 Å²	230	121 Å²	121	87%	0.868	69%	0.691	S	S	*	*			trans	-131.9	30.8	-168.2	-79.9	-164.9	174.8	-169.3	1.1	116.9	E909	E909-R911 PolarHBondContact O-N 2.87Å
912	T	44.5	Very low	40.3	Very low	132 Å²	132	126 Å²	126	81%	0.81	71%	0.708	S	S	*	*	S	Bend	trans	-140.9	13.6	176.6	14.3	0	0	0	0	116.7
913	S	35.5	Very low	39.5	Very low	127 Å²	127	129.4 Å²	129.4	89%	0.888	72%	0.72	S	S	*	*	S	Bend	trans	-155.6	66.8	-179.4	46.9	0	0	0	0	114.4
914	G	37.1	Very low	38.9	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	73%	0.733	S	S	*	*			trans	-168.6	109.7	177.4	0	0	0	0	0	116.7
915	S	34.8	Very low	38.7	Very low	107 Å²	107	131 Å²	131	75%	0.748	74%	0.741	S	S	*	*			trans	50.9	125	159.9	-166.8	0	0	0	0	120.3
916	R	36.5	Very low	38.5	Very low	241 Å²	241	134.2 Å²	134.2	91%	0.909	76%	0.764	S	S	*	*			trans	-152.5	56.3	140.9	-126.6	173.7	-171.8	-171.1	1.7	115	G918	R916-G918 PolarHBondContact O-N 3.24Å; R916-G918 VanDerWaalsContact O-N 3.11Å
917	S	35.4	Very low	38.6	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	78%	0.778	S	S	*	*			trans	-75.3	92.4	165.7	51.3	0	0	0	0	111.2
918	G	30.6	Very low	38.7	Very low	65 Å²	65	135.3 Å²	135.3	67%	0.67	78%	0.776	S	S	*	*			trans	76.4	113	158.5	0	0	0	0	0	118.3	R916	R916-G918 PolarHBondContact O-N 3.24Å; R916-G918 VanDerWaalsContact O-N 3.11Å
919	T	37.2	Very low	38.5	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	78%	0.778	S	S	*	*			trans	-160.1	124.5	134.1	33.4	0	0	0	0	108.4
920	T	32.9	Very low	38	Very low	143 Å²	143	138.2 Å²	138.2	88%	0.877	79%	0.794	S	S	*	*			trans	-68.8	133.6	167.1	18.4	0	0	0	0	110.1
921	N	37.6	Very low	37.6	Very low	161 Å²	161	135.7 Å²	135.7	86%	0.861	81%	0.81	S	S	*	*			trans	-119.2	129	167.6	-110.4	-13.2	0	0	0	109.2
922	Q	37.5	Very low	37.8	Very low	186 Å²	186	130 Å²	130	87%	0.869	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.2	143.6	-177.6	-62.1	173.8	2.2	0	0	110.4
923	Q	38.8	Very low	37.6	Very low	184 Å²	184	128.7 Å²	128.7	86%	0.86	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-85.5	137	161.9	-75	-176.7	-31.6	0	0	109.5
924	P	34.8	Very low	37.8	Very low	130 Å²	130	127.6 Å²	127.6	84%	0.844	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-88.5	116	177.9	32.6	-31.6	0	0	0	111.8
925	S	40.8	Very low	37.9	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	79%	0.791	S	S	*	*			trans	-145.6	106.3	163.8	45.9	0	0	0	0	112.2
926	T	40.5	Very low	38.1	Very low	128 Å²	128	128.5 Å²	128.5	79%	0.785	79%	0.789	S	S	*	*			trans	-19.8	130	157.1	53.6	0	0	0	0	114.6
927	T	39.9	Very low	38	Very low	130 Å²	130	122.2 Å²	122.2	80%	0.798	78%	0.782	S	S	*	*				-169.3	149.2	64.6	33	0	0	0	0	114.5
928	A	40.4	Very low	38.1	Very low	86 Å²	86	123.5 Å²	123.5	71%	0.711	79%	0.785	S	S	*	*			trans	60.6	129.7	143	0	0	0	0	0	124.3
929	N	40.6	Very low	38.3	Very low	137 Å²	137	125.9 Å²	125.9	73%	0.733	79%	0.791	S	S	*	*			trans	81.9	102.2	143.2	-65.9	-7.4	0	0	0	122.8
930	N	40.7	Very low	38.3	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	79%	0.791	S	S	*	*				58.3	128.2	120.4	-53.5	-13.6	0	0	0	121.3
931	G	36.9	Very low	38.5	Very low	81 Å²	81	125.5 Å²	125.5	84%	0.835	79%	0.787	S	S	*	*			trans	165	68.1	164.8	0	0	0	0	0	116.2
932	S	40.6	Very low	38.6	Very low	110 Å²	110	127.9 Å²	127.9	77%	0.769	79%	0.791	S	S	*	*			trans	-50.9	156.8	-178.7	51	0	0	0	0	118.6
933	S	40.2	Very low	38.6	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	79%	0.788	S	S	*	*			trans	99.1	110.5	138.8	71.1	0	0	0	0	122.3
934	S	39.8	Very low	38.5	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	79%	0.787	S	S	*	*				71	126.4	127	62.2	0	0	0	0	124.5
935	S	39.8	Very low	38.5	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	78%	0.783	S	S	*	*				87.7	117.9	126.3	62.5	0	0	0	0	123.1
936	S	38.8	Very low	38.3	Very low	99 Å²	99	140.8 Å²	140.8	69%	0.692	81%	0.806	S	S	*	*				75.3	100	127.3	67.1	0	0	0	0	122.6
937	S	34.9	Very low	38.2	Very low	109 Å²	109	141.4 Å²	141.4	76%	0.762	81%	0.807	S	S	*	*				82.1	169.3	114.8	76.9	0	0	0	0	121.7
938	V	37.7	Very low	38.1	Very low	140 Å²	140	142 Å²	142	85%	0.848	81%	0.807	S	S	*	*			trans	92	130	173.2	-171.7	0	0	0	0	116.2
939	S	33.3	Very low	38	Very low	115 Å²	115	145.1 Å²	145.1	80%	0.804	81%	0.813	S	S	*	*			trans	-96	151.2	-176.6	-42.9	0	0	0	0	112.2
940	S	38.9	Very low	37.8	Very low	114 Å²	114	145.6 Å²	145.6	80%	0.797	82%	0.818	S	S	*	*			trans	-162.7	144.1	145.2	58.6	0	0	0	0	111.1
941	D	36.8	Very low	37.6	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	82%	0.816	S	S	*	*			trans	-54.9	152.4	173.3	-52.5	-106.7	0	0	0	113.3
942	F	38.4	Very low	37.7	Very low	212 Å²	212	149.2 Å²	149.2	93%	0.93	82%	0.815	S	S	*	*			trans	-148.6	150.8	131	-122	-80.9	0	0	0	112.6
943	K	38.2	Very low	37.5	Very low	186 Å²	186	152 Å²	152	81%	0.809	82%	0.819	S	S	*	*			trans	-89	164.1	-173.4	-69.9	170.1	173.5	165.8	0	113.1
944	R	35.8	Very low	37.3	Very low	224 Å²	224	155.6 Å²	155.6	85%	0.845	83%	0.825	S	S	*	*			trans	96.9	133.2	146.5	-86.5	-174.7	167.4	157.6	-3.8	120.3
945	N	36.2	Very low	37.1	Very low	143 Å²	143	159.8 Å²	159.8	77%	0.765	83%	0.833	S	S	*	*			trans	70.6	95	143.9	-60.4	11.3	0	0	0	118.5
946	R	36.1	Very low	36.8	Very low	324 Å²	324	165.1 Å²	165.1	100%	1.223	84%	0.843	S	S	*	*				-133.5	0	97.1	-130.4	177.2	-171	-179.5	2.6	111.1

Retrieved 946 of 946 residues in 588.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).