A0A087WQG8_MOUSE Loading...

DNA mismatch repair protein

Component of the post-replicative DNA mismatch repair system (MMR). Involved in meiotic recombination. Required for reciprocal recombination and proper segregation of homologous chromosomes at meiosis.

AlphaFold DB , UniProt , Accession A0A087WQG8, Species MOUSE (Mus musculus, Mouse), Gene Msh4, Length 870 aa.

						>A0A087WQG8_MOUSE|A0A087WQG8|Msh4
MHTGKTPVHLGEKVLQGSSFGNKRSYAIHRAASSFPVGTSSSSARDTTYPHTFRTPLSAGNPQRSGHKSWTPQVGYSATSSAVSAHAPSVIVAVVEGRGLARGEIGMASIDLKSPQIMLSQFADNTTYAKVITKLQVLSPLEIIMSNTACVVGNSTKLFTLITENFKNVNFTTVQRKYFNETKGLEYIEQLCIAEFSSVLMEVQSRYYCLAAAAALLKYVEFIQNSVYAPKSLKIYFQGSEQTAMIDSSSAQNLELLVNNQDYRSNHTLFGVLNYTKTAGGSRRLRSNILEPLVDVETISMRLDCVQELLQDEELFFGLQSVISRFLDTEQLLSVLVQIPKQDTVNAAESKITNLIYLKHTLELVEPLKVTLKNCSTPLLRAYYGSLEDHRFGLILDKIKTVINDDARYMKGCLNMRTQKCYAVRSNISEFLDIARRTYTEIVDDIAGMIAQLAEKYSLPLRTSFSSSRGFFIQMTTDCAALSSDQLPSEFIKISKVKNSYSFTSADLIKMNERCQESLREIYHMTYMIVCKLLSEIYEHIHCLYKLSDTVSMLDMLLSFAHACTLSDYVRPEFTDTLAIKQGWHPILEKISAEKPVANNTYITEGSNVLIITGPNMSGKSTYLKQIALCQIMAQIGSYVPAEYASFRIAAQIFTRISTDDDIETNSSTFMKEMKEIAYILHNANDKSLILIDELGRGTNTEEGIGISYAVCEHLLSIKAFTLFTTHFLELCHLDALYLNVENMHFEVQHVKNTSRNKDAILYTYKLSRGLTEEKNYGLKAAEASSLPSSIVLDARDITTQITRQILQNQRSSPEMDRQRAVYHLATRLVQAARNSQLEPDRLRTYLSNLKKKYAGDFPRAVGLPEKTEE
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	31.1	Very low	240 Å²	240	141.7 Å²	141.7	100%	1.182	81%	0.809	S	S	*	*				0	152.4	0	-73	164.6	165.8	0	0	108.5
2	H	29.3	Very low	30.8	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.787	81%	0.805	S	S	*	*			trans	14.1	112.5	168.7	-66.1	-63.7	0	0	0	120
3	T	32.6	Very low	30.5	Very low	131 Å²	131	146.8 Å²	146.8	80%	0.804	81%	0.805	S	S	*	*				72.8	136.7	68.7	61.5	0	0	0	0	114.8
4	G	27.6	Very low	30.3	Very low	67 Å²	67	145.1 Å²	145.1	69%	0.691	80%	0.801	S	S	*	*			cis	-157.3	166.7	4.8	0	0	0	0	0	112.2
5	K	30.5	Very low	30	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	80%	0.8	S	S	*	*				77.5	93	81.6	-74.7	-167.7	172.4	-174	0	117.8
6	T	28.3	Very low	29.8	Very low	125 Å²	125	147.8 Å²	147.8	77%	0.767	80%	0.803	S	S	*	*				34.4	166.3	112	62.5	0	0	0	0	122.1
7	P	52.5	Low	29.5	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	79%	0.794	S	S	*	*			cis	-145.6	176	-47.6	43.4	-26.1	0	0	0	115.1
8	V	26.6	Very low	29.3	Very low	136 Å²	136	141.3 Å²	141.3	82%	0.824	80%	0.795	S	S	*	*			trans	-153.2	130.5	159.4	-155.9	0	0	0	0	107.4
9	H	29.6	Very low	29.1	Very low	167 Å²	167	138.6 Å²	138.6	77%	0.773	79%	0.787	S	S	*	*				64.2	145.1	59.9	-87	-33.2	0	0	0	114.6
10	L	28.5	Very low	28.9	Very low	141 Å²	141	142.4 Å²	142.4	74%	0.738	79%	0.794	S	S	*	*			cis	-161.2	158.4	1.4	-141.7	157.3	0	0	0	110
11	G	24.6	Very low	28.7	Very low	72 Å²	72	139 Å²	139	74%	0.742	79%	0.792	S	S	*	*			trans	170	132.7	163.4	0	0	0	0	0	116
12	E	27.9	Very low	28.4	Very low	162 Å²	162	134.2 Å²	134.2	76%	0.757	77%	0.771	S	S	*	*			trans	-132.5	155.7	-173.4	-54.8	175.8	111.9	0	0	114.5
13	K	26.3	Very low	28.3	Very low	187 Å²	187	134.2 Å²	134.2	81%	0.813	77%	0.769	S	S	*	*			trans	144.8	126.4	138.6	-79.5	162.6	-176	176.7	0	110.8
14	V	28	Very low	27.9	Very low	124 Å²	124	138.5 Å²	138.5	75%	0.752	77%	0.77	S	S	*	*			cis	95.7	136.9	29.5	-179.4	0	0	0	0	113.1
15	L	26.3	Very low	27.8	Very low	149 Å²	149	139.9 Å²	139.9	78%	0.78	77%	0.769	S	S	*	*			trans	84.4	152.9	-178.9	-53	-173.7	0	0	0	117.8
16	Q	26.3	Very low	27.5	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	77%	0.773	S	S	*	*			cis	-171.1	158.6	-42.4	-137.6	177.5	6.1	0	0	110.6
17	G	25	Very low	27.3	Very low	63 Å²	63	139.9 Å²	139.9	65%	0.649	77%	0.769	S	S	*	*			trans	84.4	138.9	166.5	0	0	0	0	0	116
18	S	25.2	Very low	26.1	Very low	116 Å²	116	141.7 Å²	141.7	81%	0.811	77%	0.772	S	S	*	*			cis	84.7	135.9	44.3	72.3	0	0	0	0	114.1
19	S	25.6	Very low	26	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	77%	0.771	S	S	*	*			cis	-179.3	160.3	-10.5	51.6	0	0	0	0	110.8
20	F	25.9	Very low	25.7	Very low	214 Å²	214	146.9 Å²	146.9	94%	0.939	78%	0.777	S	S	*	*			trans	63.2	161.1	168.1	-73.6	-80.8	0	0	0	118.3
21	G	24.2	Very low	25.5	Very low	72 Å²	72	144.6 Å²	144.6	74%	0.742	78%	0.778	S	S	*	*			trans	163.5	11.2	163.3	0	0	0	0	0	125.5
22	N	25.9	Very low	25.5	Very low	139 Å²	139	145.8 Å²	145.8	74%	0.743	78%	0.781	S	S	*	*			trans	28.7	129.5	157.7	-99	-42	0	0	0	123.2
23	K	25.8	Very low	25.2	Very low	171 Å²	171	143.5 Å²	143.5	74%	0.743	78%	0.783	S	S	*	*			trans	83.8	139.7	133.6	-73.8	169.3	-177	174.6	0	123.8
24	R	24.6	Very low	25	Very low	220 Å²	220	139 Å²	139	83%	0.83	78%	0.775	S	S	*	*			trans	76.1	98.2	143.7	-78.5	178.6	173.6	178.5	-3.6	121.3
25	S	25.8	Very low	24.8	Very low	97 Å²	97	142.7 Å²	142.7	68%	0.678	78%	0.781	S	S	*	*				9.3	131	117.5	60.2	0	0	0	0	120
26	Y	24.3	Very low	25.6	Very low	237 Å²	237	140.7 Å²	140.7	93%	0.929	78%	0.777	S	S	*	*				-155.6	-179.1	126.6	-110.4	-74.3	0	0	0	109.6
27	A	24.4	Very low	25.5	Very low	84 Å²	84	139 Å²	139	69%	0.694	78%	0.779	S	S	*	*			trans	-139.3	-170.8	-165	0	0	0	0	0	113.5
28	I	26.9	Very low	25.4	Very low	152 Å²	152	139.3 Å²	139.3	78%	0.779	78%	0.783	S	S	*	*			trans	100.1	116.7	155.1	-73.9	164.4	0	0	0	120.4
29	H	25.5	Very low	25.3	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.806	79%	0.787	S	S	*	*			trans	34.2	131.3	150.6	-64.8	-63.9	0	0	0	125.6
30	R	22.9	Very low	25.2	Very low	238 Å²	238	141.5 Å²	141.5	90%	0.898	79%	0.791	S	S	*	*				-154.7	140.8	114.6	-93.7	164.4	-178.5	-175.6	-0.9	106.7
31	A	23.1	Very low	25.1	Very low	93 Å²	93	135.7 Å²	135.7	77%	0.769	78%	0.777	S	S	*	*			cis	79.3	143.3	37.5	0	0	0	0	0	114.6
32	A	24.7	Very low	25.2	Very low	96 Å²	96	137.9 Å²	137.9	79%	0.793	78%	0.782	S	S	*	*			cis	-176.8	141.2	-24.1	0	0	0	0	0	110.9
33	S	22	Very low	25	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	78%	0.783	S	S	*	*			trans	-177.3	129.9	164.1	31.5	0	0	0	0	109.3
34	S	23.4	Very low	25	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	78%	0.782	S	S	*	*			cis	91.4	97.2	42.5	72.2	0	0	0	0	112.8
35	F	23.7	Very low	24.9	Very low	201 Å²	201	133 Å²	133	88%	0.882	78%	0.784	S	S	*	*				105.1	163.4	76.6	-90.1	-42.8	0	0	0	111.1
36	P	42.5	Very low	24.8	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	79%	0.786	S	S	*	*			cis	-139	-150.4	-29.6	37.9	-16.1	0	0	0	113.2
37	V	23.6	Very low	24.7	Very low	146 Å²	146	129.8 Å²	129.8	89%	0.885	78%	0.78	S	S	*	*			trans	84.3	132.9	170.7	-167.2	0	0	0	0	115.7
38	G	23	Very low	24.6	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	78%	0.777	S	S	*	*			cis	-164.1	-176.3	2	0	0	0	0	0	115
39	T	23.9	Very low	24.5	Very low	149 Å²	149	133.2 Å²	133.2	91%	0.914	78%	0.778	S	S	*	*			trans	-89.8	-176.7	-177.8	50.7	0	0	0	0	112.2
40	S	23.8	Very low	25.1	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	77%	0.771	S	S	*	*			cis	-161.1	-172.4	18.3	82.5	0	0	0	0	109.5
41	S	23.8	Very low	25.1	Very low	92 Å²	92	125.5 Å²	125.5	64%	0.643	76%	0.761	S	S	*	*			cis	-175.9	159.8	-12.9	40.8	0	0	0	0	111.1
42	S	24.7	Very low	25.1	Very low	119 Å²	119	128.2 Å²	128.2	83%	0.832	77%	0.769	S	S	*	*			trans	63	158.9	157.3	69.2	0	0	0	0	119.6
43	S	23.6	Very low	25	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	77%	0.765	S	S	*	*			cis	-145.3	167.6	0.7	56	0	0	0	0	110.2
44	A	23.9	Very low	25	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	77%	0.772	S	S	*	*			cis	114.6	92.1	-3.3	0	0	0	0	0	117.5
45	R	23.3	Very low	24.9	Very low	229 Å²	229	139.6 Å²	139.6	86%	0.864	78%	0.778	S	S	*	*			trans	177.2	131.3	157.3	-97.7	158.5	-175.5	-169.8	2	109.5
46	D	23	Very low	25.3	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	77%	0.769	S	S	*	*				84.6	137.5	62.2	-65.4	-37.8	0	0	0	113.2
47	T	23.3	Very low	24.4	Very low	130 Å²	130	137.9 Å²	137.9	80%	0.798	78%	0.777	S	S	*	*			cis	-158.7	172.9	7.3	2.4	0	0	0	0	114.2
48	T	22.5	Very low	24.4	Very low	103 Å²	103	136 Å²	136	63%	0.632	77%	0.77	S	S	*	*			trans	-65	173.9	-177.8	51.7	0	0	0	0	115.6
49	Y	25.1	Very low	24.4	Very low	204 Å²	204	137 Å²	137	80%	0.8	77%	0.772	S	S	*	*			cis	-172.5	-169.3	48.4	-96	-53.2	0	0	0	110
50	P	37.8	Very low	24.3	Very low	101 Å²	101	133.3 Å²	133.3	66%	0.656	76%	0.764	S	S	*	*			cis	-138.7	165.8	-45.7	39.2	-22	0	0	0	116.9
51	H	22.5	Very low	24.3	Very low	149 Å²	149	136.4 Å²	136.4	69%	0.69	77%	0.772	S	S	*	*			trans	22.3	138.5	148.4	-56.2	-59	0	0	0	125.8
52	T	23.7	Very low	24.6	Very low	151 Å²	151	137.5 Å²	137.5	93%	0.926	78%	0.777	S	S	*	*				-150	160.4	116.9	-7.1	0	0	0	0	111.6
53	F	22.3	Very low	24.5	Very low	166 Å²	166	141 Å²	141	73%	0.728	78%	0.78	S	S	*	*			trans	-108.3	142.6	-168	-79.3	-110.1	0	0	0	114
54	R	22.3	Very low	24.4	Very low	248 Å²	248	147.7 Å²	147.7	94%	0.936	79%	0.789	S	S	*	*				-174.8	140.8	107.7	-99.5	172.7	-179.2	-175.9	0.3	114.2
55	T	20	Very low	24.5	Very low	128 Å²	128	149.4 Å²	149.4	79%	0.785	80%	0.796	S	S	*	*			trans	-101	-174.2	171.3	46	0	0	0	0	109.2
56	P	33.3	Very low	24.5	Very low	107 Å²	107	141.7 Å²	141.7	70%	0.695	79%	0.787	S	S	*	*			cis	-126	-176.1	6.2	30.7	-4.7	0	0	0	113
57	L	23.4	Very low	24.5	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	80%	0.797	S	S	*	*			cis	-153.8	158.9	46.6	-81.1	161.6	0	0	0	115.5
58	S	23.4	Very low	24.5	Very low	106 Å²	106	147.6 Å²	147.6	74%	0.741	80%	0.798	S	S	*	*			trans	-44.4	140.9	169.3	-154.7	0	0	0	0	113.4
59	A	22.9	Very low	24.5	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	81%	0.807	S	S	*	*			cis	78.8	129.8	33	0	0	0	0	0	115.9
60	G	22.1	Very low	24.4	Very low	71 Å²	71	150.1 Å²	150.1	73%	0.732	81%	0.813	S	S	*	*			trans	108.5	105.1	156.2	0	0	0	0	0	118.7
61	N	23.7	Very low	23.6	Very low	168 Å²	168	151.2 Å²	151.2	90%	0.898	82%	0.818	S	S	*	*				-169.5	161.7	119.1	-104	-20.6	0	0	0	113.1
62	P	28.9	Very low	23.8	Very low	114 Å²	114	149.8 Å²	149.8	74%	0.74	82%	0.822	S	S	*	*			trans	-103.8	172.9	-151.2	40	-39.4	0	0	0	116.4
63	Q	22.7	Very low	23.8	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	82%	0.821	S	S	*	*			trans	-60.1	142.3	168.4	-64.8	173.2	-28.5	0	0	112.7
64	R	23.3	Very low	23.9	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	82%	0.82	S	S	*	*			trans	-137.5	121.7	149.6	-118.9	-178.8	-179.9	-178.6	0.3	108.6
65	S	24.6	Very low	23.9	Very low	126 Å²	126	141 Å²	141	88%	0.881	81%	0.809	S	S	*	*			trans	-72.6	135.9	-180	41.6	0	0	0	0	111.1
66	G	22.8	Very low	24.1	Very low	66 Å²	66	145.3 Å²	145.3	68%	0.68	81%	0.812	S	S	*	*			trans	-154.4	101.5	175.1	0	0	0	0	0	109.8	K68	G66-K68 PolarHBondContact O-N 3.24Å
67	H	23.7	Very low	23.6	Very low	202 Å²	202	145.9 Å²	145.9	94%	0.935	82%	0.819	S	S	*	*			trans	-61.7	121.6	175.5	-71.8	-82.5	0	0	0	109.8
68	K	24	Very low	23.7	Very low	190 Å²	190	143 Å²	143	83%	0.826	82%	0.819	S	S	*	*			trans	-117.1	124.6	165.5	-73.6	-171.6	175	-176.3	0	108.5	G66 W70	G66-K68 PolarHBondContact O-N 3.24Å; K68-W70 PolarHBondContact O-N 2.68Å
69	S	21.7	Very low	23.6	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	82%	0.82	S	S	*	*			trans	-61.9	120.5	170.6	48.8	0	0	0	0	110
70	W	23.9	Very low	23.6	Very low	241 Å²	241	144.8 Å²	144.8	91%	0.913	82%	0.821	S	S	*	*			trans	-90.9	115.1	171.8	-106.8	38.4	0	0	0	110.1	K68	K68-W70 PolarHBondContact O-N 2.68Å
71	T	20.8	Very low	24	Very low	123 Å²	123	147.7 Å²	147.7	76%	0.755	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.4	128.2	161.3	35.1	0	0	0	0	108.9	Q73	T71-Q73 PolarHBondContact O-N 3.3Å
72	P	26.1	Very low	23.9	Very low	120 Å²	120	144 Å²	144	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.9	118.7	178.2	-17.6	31.1	0	0	0	111.4
73	Q	23.1	Very low	23.8	Very low	194 Å²	194	144.8 Å²	144.8	91%	0.907	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-83	116.1	162.4	-74	-169.4	-70.7	0	0	109.2	T71 G75	T71-Q73 PolarHBondContact O-N 3.3Å; Q73-G75 PolarHBondContact O-N 2.76Å
74	V	25.8	Very low	24.1	Very low	116 Å²	116	140.2 Å²	140.2	70%	0.703	82%	0.815	S	S	*	*			trans	-82.1	95.8	178.2	-176.2	0	0	0	0	109.7	Y76	V74-Y76 HydrophobicContact CG1-CD2 3.86Å; V74-Y76 HydrophobicContact CG1-CE2 3.55Å
75	G	21.4	Very low	24.6	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	81%	0.805	S	S	*	*			trans	-103.3	100.1	175.6	0	0	0	0	0	112.4	Q73 S77	Q73-G75 PolarHBondContact O-N 2.76Å; G75-S77 PolarHBondContact O-N 3.42Å
76	Y	25.2	Very low	25.7	Very low	219 Å²	219	130.8 Å²	130.8	86%	0.859	78%	0.782	S	S	*	*			trans	-78.9	106.4	173.8	-79.2	-80.2	0	0	0	111.7	V74	V74-Y76 HydrophobicContact CG1-CD2 3.86Å; V74-Y76 HydrophobicContact CG1-CE2 3.55Å
77	S	21.6	Very low	27.2	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	78%	0.776	S	S	*	*			trans	-110.4	108.7	165.8	-73.4	0	0	0	0	109.5	G75	G75-S77 PolarHBondContact O-N 3.42Å
78	A	25.9	Very low	29	Very low	104 Å²	104	124.1 Å²	124.1	86%	0.86	75%	0.751	S	S	*	*			trans	-92.7	121.5	-178.5	0	0	0	0	0	111.8
79	T	21.1	Very low	31.6	Very low	124 Å²	124	115.8 Å²	115.8	76%	0.761	72%	0.716	S	S	*	*			trans	-142.7	144.7	172.3	42.5	0	0	0	0	112.2
80	S	22.9	Very low	34.7	Very low	114 Å²	114	111.1 Å²	111.1	80%	0.797	68%	0.683	S	S	*	*			trans	55.1	114.9	169.4	54.1	0	0	0	0	118	A82	S80-A82 PolarHBondContact O-N 3.08Å
81	S	30.8	Very low	37.8	Very low	131 Å²	131	99.7 Å²	99.7	92%	0.916	64%	0.64	S	S	*	*			trans	-60.4	115	163	48.7	0	0	0	0	112
82	A	22.8	Very low	41.2	Very low	92 Å²	92	93.9 Å²	93.9	76%	0.76	60%	0.604	S	S	*	*			trans	-126.6	170.5	157	0	0	0	0	0	108.4	S80 S84	S80-A82 PolarHBondContact O-N 3.08Å; A82-S84 PolarHBondContact O-N 2.74Å
83	V	26	Very low	44.3	Very low	130 Å²	130	88.1 Å²	88.1	79%	0.788	57%	0.567	S	S	*	*			trans	-49.7	133	-175	-177.5	0	0	0	0	111.4	A85	V83-A85 VanDerWaalsContact C-N 3.28Å; V83-A85 PolarHBondContact O-N 3.19Å
84	S	29.6	Very low	47.6	Very low	96 Å²	96	79 Å²	79	67%	0.671	52%	0.524	S	S	*	.			trans	-73.3	78.4	-176.6	-170.6	0	0	0	0	111.7	A82 H86	A82-S84 PolarHBondContact O-N 2.74Å; S84-H86 PolarHBondContact O-N 2.86Å; S84-H86 VanDerWaalsContact O-N 3.15Å
85	A	32.2	Very low	50.5	Low	89 Å²	89	74.5 Å²	74.5	74%	0.736	50%	0.497	S	S	*	.			trans	-56.5	117.2	158.1	0	0	0	0	0	107.8	V83 A87	V83-A85 VanDerWaalsContact C-N 3.28Å; V83-A85 PolarHBondContact O-N 3.19Å; A85-A87 PolarHBondContact O-N 2.67Å
86	H	48.5	Very low	53.5	Low	88 Å²	88	72.6 Å²	72.6	41%	0.407	47%	0.469	S	S	.	.			trans	-66.3	95.4	-172.8	-71.1	-83.1	0	0	0	110.9	S84	S84-H86 PolarHBondContact O-N 2.86Å; S84-H86 VanDerWaalsContact O-N 3.15Å
87	A	54.9	Low	55.6	Low	66 Å²	66	62.2 Å²	62.2	55%	0.545	43%	0.429	S	S	.	.			trans	-58	127.3	173.6	0	0	0	0	0	109.9	A85 K113	A85-A87 PolarHBondContact O-N 2.67Å; A87-K113 PolarHBondContact O-NZ 3.26Å
88	P	61	Low	57.9	Low	63 Å²	63	62.2 Å²	62.2	41%	0.409	41%	0.411	S	S	.	.			trans	-63.9	144.6	-176.1	26.5	-34.4	0	0	0	110.9	S139 L141	P88-S139 VanDerWaalsContact CB-O 3.24Å; P88-S139 WeakPolarHBondContact CB-O 3.38Å; P88-L141 HydrophobicContact CB-CB 4.16Å; P88-L141 HydrophobicContact CG-CB 4.4Å; P88-L141 HydrophobicContact CG-CD1 4.12Å
89	S	78.8	Confident	59.8	Low	15 Å²	15	60.5 Å²	60.5	11%	0.105	40%	0.403	C	S	.	.			trans	-139.6	0.4	-177.7	50.8	0	0	0	0	114.3	D111 L112 K113	S89-D111 WeakPolarHBondContact CB-OD1 3.49Å; S89-D111 PolarHBondContact OG-OD1 3.48Å; S89-L112 WeakPolarHBondContact O-CG 3.48Å; S89-L112 PolarHBondContact O-N 3.13Å; S89-K113 VanDerWaalsContact CB-NZ 3.3Å; S89-K113 WeakPolarHBondContact OG-CG 3.28Å; S89-K113 PolarHBondContact OG-NZ 2.82Å
90	V	85.9	Confident	61	Low	20 Å²	20	63.7 Å²	63.7	12%	0.121	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131	178	-169.4	0	0	0	0	109.5	V92 I110 D111 L138 P140 L141	V90-V92 HydrophobicContact CG1-CG2 3.86Å; V90-I110 WeakPolarHBondContact CA-O 3.44Å; V90-D111 HydrophobicContact CG2-CB 4.11Å; V90-L138 HydrophobicContact CG1-CB 4.32Å; V90-L138 HydrophobicContact CG1-CD2 4.32Å; V90-L138 VanDerWaalsContact CG2-O 3.28Å; V90-L138 WeakPolarHBondContact CG2-O 3.46Å; V90-P140 CarbonylContact O-C 3.58Å; V90-P140 VanDerWaalsContact O-CA 3.31Å; V90-P140 WeakPolarHBondContact O-CA 3.29Å; V90-L141 PolarHBondContact O-N 3.35Å
91	I	89.6	Confident	62.5	Low	2 Å²	2	59.4 Å²	59.4	1%	0.01	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.1	167.7	-56.2	-179.7	0	0	0	107.3	S109 I110 L112 E142 I144 L216 Y219 V220	I91-S109 WeakPolarHBondContact O-CA 3.35Å; I91-I110 HydrophobicContact CB-CG2 4.31Å; I91-I110 PolarHBondContact N-O 3.31Å; I91-I110 PolarHBondContact O-N 2.8Å; I91-L112 HydrophobicContact CD1-CD1 4.09Å; I91-L112 HydrophobicContact CD1-CD2 4.32Å; I91-L112 HydrophobicContact CD1-CG 4.34Å; I91-E142 WeakPolarHBondContact CA-O 3.4Å; I91-E142 HydrophobicContact CG2-CB 4.45Å; I91-I144 HydrophobicContact CG2-CD1 3.57Å; I91-I144 HydrophobicContact CG2-CG1 3.95Å; I91-L216 HydrophobicContact CB-CD1 4.14Å; I91-L216 HydrophobicContact CG2-CD1 3.7Å; I91-Y219 HydrophobicContact CG2-CD1 4.46Å; I91-V220 HydrophobicContact CD1-CG2 4.39Å
92	V	91.9	Very high	63.9	Low	0 Å²	0	62.1 Å²	62.1	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.3	-174.8	-171.8	0	0	0	0	110.4	V90 V94 M107 A108 L135 L138 P140 E142 I143 I144	V90-V92 HydrophobicContact CG1-CG2 3.86Å; V92-V94 HydrophobicContact CG1-CG2 4Å; V92-M107 HydrophobicContact CG1-CE 3.84Å; V92-A108 CarbonylContact C-O 3.27Å; V92-A108 WeakPolarHBondContact CA-O 3.38Å; V92-L135 HydrophobicContact CB-CD2 4.09Å; V92-L135 HydrophobicContact CG1-CD2 3.76Å; V92-L135 HydrophobicContact CG2-CD2 4.27Å; V92-L138 HydrophobicContact CG1-CD1 4.3Å; V92-L138 HydrophobicContact CG2-CB 4.35Å; V92-L138 HydrophobicContact CG2-CD1 3.84Å; V92-P140 HydrophobicContact CG2-CB 3.94Å; V92-E142 PolarHBondContact N-O 3.46Å; V92-I143 CarbonylContact O-C 3.58Å; V92-I143 WeakPolarHBondContact O-CA 3.23Å; V92-I144 PolarHBondContact O-N 3.09Å
93	A	91.8	Very high	65.7	Low	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132	168.8	0	0	0	0	0	110.7	M107 A108 I144 A212 L216	A93-M107 WeakPolarHBondContact O-CA 3.28Å; A93-A108 PolarHBondContact N-O 3.39Å; A93-A108 PolarHBondContact O-N 3.01Å; A93-I144 WeakPolarHBondContact CA-O 3.38Å; A93-I144 HydrophobicContact CB-CB 4.15Å; A93-A212 HydrophobicContact CB-CB 4.22Å; A93-A212 WeakPolarHBondContact CB-O 3.32Å; A93-L216 HydrophobicContact CB-CB 3.87Å; A93-L216 HydrophobicContact CB-CD1 4.31Å
94	V	90.9	Very high	68	Low	1 Å²	1	55.4 Å²	55.4	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.7	-177	-173.1	0	0	0	0	110.9	V92 I105 M107 V131 L135 I143 I144 M145 L158 I162	V92-V94 HydrophobicContact CG1-CG2 4Å; V94-I105 HydrophobicContact CG1-CG2 3.74Å; V94-M107 HydrophobicContact CG1-CG 4.36Å; V94-M107 HydrophobicContact CG2-CE 4.44Å; V94-M107 HydrophobicContact CG2-CG 4.34Å; V94-V131 HydrophobicContact CG1-CG1 4.43Å; V94-L135 HydrophobicContact CG2-CD2 4.3Å; V94-I143 HydrophobicContact CG2-CG2 4.3Å; V94-I144 PolarHBondContact N-O 3.47Å; V94-M145 HydrophobicContact CB-CG 4.24Å; V94-L158 HydrophobicContact CG1-CD2 4.15Å; V94-I162 HydrophobicContact CG1-CD1 4.5Å
95	V	87.8	Confident	70.5	Confident	23 Å²	23	50.8 Å²	50.8	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.1	-178	-175.9	0	0	0	0	110.5	I105 G106 F179 Y208 A212	V95-I105 WeakPolarHBondContact O-CA 3.4Å; V95-G106 PolarHBondContact N-O 3.23Å; V95-G106 PolarHBondContact O-N 2.85Å; V95-F179 HydrophobicContact CG2-CD1 3.34Å; V95-F179 HydrophobicContact CG2-CE1 3.48Å; V95-F179 VanDerWaalsContact CG2-CE1 3.48Å; V95-F179 HydrophobicContact CG2-CG 4.48Å; V95-Y208 HydrophobicContact CG1-CD1 3.83Å; V95-A212 HydrophobicContact CG2-CB 3.82Å
96	E	84.3	Confident	73.1	Confident	28 Å²	28	46.6 Å²	46.6	13%	0.131	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.4	170.5	-166	-166.5	157.3	0	0	110.8	Y128 T156 L158	E96-Y128 PolarHBondContact OE1-OH 2.98Å; E96-Y128 VanDerWaalsContact OE1-OH 3.05Å; E96-T156 WeakPolarHBondContact OE2-CB 3.35Å; E96-L158 HydrophobicContact CB-CD1 4.47Å
97	G	69.4	Low	75.1	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	24%	0.238	C	C	.	.			trans	-68.9	167.1	172.6	0	0	0	0	0	113.9	A101 E104	G97-A101 CarbonylContact C-O 3.59Å; G97-A101 VanDerWaalsContact CA-O 3.3Å; G97-A101 WeakPolarHBondContact CA-O 3.48Å; G97-E104 PolarHBondContact N-O 3.11Å
98	R	69.9	Low	76.9	Confident	119 Å²	119	39.2 Å²	39.2	45%	0.449	21%	0.212	S	C	.	.			trans	-139	157.7	-172.5	-61.6	-170.4	-170.7	-171.6	4.2	112.6	L100 A101 T148	R98-L100 PolarHBondContact O-N 3.03Å; R98-A101 PolarHBondContact O-N 3.4Å; R98-T148 PolarHBondContact NH2-OG1 3.26Å
99	G	65.6	Low	78.3	Confident	68 Å²	68	36.5 Å²	36.5	70%	0.701	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	63.3	-120.2	-177.6	0	0	0	0	0	110.2	A101 R102	G99-A101 VanDerWaalsContact C-N 3.3Å; G99-A101 PolarHBondContact O-N 3.44Å; G99-R102 WeakPolarHBondContact O-CB 3.04Å; G99-R102 PolarHBondContact O-N 3.34Å
100	L	46.8	Very low	78.7	Confident	192 Å²	192	35.8 Å²	35.8	100%	1.005	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-67.4	-26.8	179.6	-63.2	172.6	0	0	0	113.5	R98	R98-L100 PolarHBondContact O-N 3.03Å
101	A	53.2	Low	78.6	Confident	23 Å²	23	35.6 Å²	35.6	19%	0.19	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-96.9	25	179.1	0	0	0	0	0	113.2	G97 R98 G99 G103 E104 Y208	G97-A101 CarbonylContact C-O 3.59Å; G97-A101 VanDerWaalsContact CA-O 3.3Å; G97-A101 WeakPolarHBondContact CA-O 3.48Å; R98-A101 PolarHBondContact O-N 3.4Å; G99-A101 VanDerWaalsContact C-N 3.3Å; G99-A101 PolarHBondContact O-N 3.44Å; A101-G103 PolarHBondContact O-N 3.32Å; A101-E104 HydrophobicContact CB-CG 4.48Å; A101-E104 PolarHBondContact O-N 2.88Å; A101-Y208 HydrophobicContact CB-CE2 3.78Å
102	R	61.2	Low	78.1	Confident	188 Å²	188	37.1 Å²	37.1	71%	0.709	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	124	177	-174.4	-176.2	-173.7	-174.8	1.6	109.9	G99	G99-R102 WeakPolarHBondContact O-CB 3.04Å; G99-R102 PolarHBondContact O-N 3.34Å
103	G	59.6	Low	77.2	Confident	15 Å²	15	40 Å²	40	16%	0.155	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-8.5	-172	0	0	0	0	0	113.8	A101 I105 D124	A101-G103 PolarHBondContact O-N 3.32Å; G103-I105 WeakPolarHBondContact O-CD1 3.44Å; G103-D124 PolarHBondContact O-N 3.31Å
104	E	74.9	Confident	76.3	Confident	66 Å²	66	40.2 Å²	40.2	31%	0.308	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	137.1	156.4	-68.5	-164.4	-166.1	0	0	110	G97 A101 Q121 Y208	G97-E104 PolarHBondContact N-O 3.11Å; A101-E104 HydrophobicContact CB-CG 4.48Å; A101-E104 PolarHBondContact O-N 2.88Å; E104-Q121 PolarHBondContact OE2-NE2 3.14Å; E104-Y208 HydrophobicContact CB-CD2 4.13Å; E104-Y208 HydrophobicContact CB-CE2 4.27Å
105	I	83.1	Confident	75.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.3	172	-59.4	95.4	0	0	0	109.1	V94 V95 G103 M107 Q121 F122 D124 Y128 V131 L158	V94-I105 HydrophobicContact CG1-CG2 3.74Å; V95-I105 WeakPolarHBondContact O-CA 3.4Å; G103-I105 WeakPolarHBondContact O-CD1 3.44Å; I105-M107 HydrophobicContact CG2-CG 3.92Å; I105-Q121 WeakPolarHBondContact O-CA 3.34Å; I105-F122 PolarHBondContact N-O 2.92Å; I105-F122 PolarHBondContact O-N 3.28Å; I105-F122 VanDerWaalsContact O-N 3.13Å; I105-D124 HydrophobicContact CD1-CB 3.48Å; I105-D124 VanDerWaalsContact CD1-CB 3.48Å; I105-Y128 HydrophobicContact CD1-CD1 3.77Å; I105-Y128 HydrophobicContact CD1-CE1 4.04Å; I105-Y128 HydrophobicContact CG1-CD1 4.48Å; I105-V131 HydrophobicContact CB-CG2 3.82Å; I105-V131 HydrophobicContact CD1-CG2 3.78Å; I105-V131 HydrophobicContact CG1-CG2 3.77Å; I105-V131 HydrophobicContact CG2-CG2 3.77Å; I105-L158 HydrophobicContact CD1-CD1 4.34Å; I105-L158 HydrophobicContact CG1-CD1 3.67Å
106	G	86.3	Confident	75.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	162.9	0	0	0	0	0	110.1	V95	V95-G106 PolarHBondContact N-O 3.23Å; V95-G106 PolarHBondContact O-N 2.85Å
107	M	90.4	Very high	75.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.6	171	-60.3	175.1	64	0	0	109.5	V92 A93 V94 I105 S120 F122 V131 K134 L135 L138 C209	V92-M107 HydrophobicContact CG1-CE 3.84Å; A93-M107 WeakPolarHBondContact O-CA 3.28Å; V94-M107 HydrophobicContact CG1-CG 4.36Å; V94-M107 HydrophobicContact CG2-CE 4.44Å; V94-M107 HydrophobicContact CG2-CG 4.34Å; I105-M107 HydrophobicContact CG2-CG 3.92Å; M107-S120 PolarHBondContact N-O 2.72Å; M107-S120 PolarHBondContact O-N 2.77Å; M107-F122 HydrophobicContact SD-CE1 3.99Å; M107-F122 HydrophobicContact SD-CZ 3.77Å; M107-V131 HydrophobicContact SD-CG1 4.14Å; M107-V131 HydrophobicContact SD-CG2 4.38Å; M107-K134 HydrophobicContact CE-CB 4.46Å; M107-K134 HydrophobicContact CE-CG 4.46Å; M107-L135 HydrophobicContact CE-CD2 3.68Å; M107-L135 HydrophobicContact CE-CG 3.79Å; M107-L138 HydrophobicContact CE-CD1 4.24Å; M107-C209 PolarHBondContact O-SG 2.96Å
108	A	91.9	Very high	76.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.6	163.3	0	0	0	0	0	108	V92 A93 M118 L119 A212 A213 L216	V92-A108 CarbonylContact C-O 3.27Å; V92-A108 WeakPolarHBondContact CA-O 3.38Å; A93-A108 PolarHBondContact N-O 3.39Å; A93-A108 PolarHBondContact O-N 3.01Å; A108-M118 WeakPolarHBondContact CA-O 3.18Å; A108-L119 HydrophobicContact CB-CD2 3.85Å; A108-A212 HydrophobicContact CB-CB 3.85Å; A108-A213 HydrophobicContact CB-CB 4.01Å; A108-L216 HydrophobicContact CB-CD2 3.89Å
109	S	90.6	Very high	77	Confident	5 Å²	5	34.7 Å²	34.7	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	147.5	174.4	65.3	0	0	0	0	112.1	I91 I117 M118	I91-S109 WeakPolarHBondContact O-CA 3.35Å; S109-I117 WeakPolarHBondContact O-CA 3.06Å; S109-M118 PolarHBondContact N-O 3.01Å; S109-M118 PolarHBondContact O-N 2.84Å
110	I	88.5	Confident	78	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.8	176.8	-166.7	170	0	0	0	108.5	V90 I91 I117 L216 L217 V220 Y228	V90-I110 WeakPolarHBondContact CA-O 3.44Å; I91-I110 HydrophobicContact CB-CG2 4.31Å; I91-I110 PolarHBondContact N-O 3.31Å; I91-I110 PolarHBondContact O-N 2.8Å; I110-I117 HydrophobicContact CB-CG1 4.28Å; I110-I117 HydrophobicContact CD1-CD1 4.04Å; I110-I117 HydrophobicContact CD1-CG1 3.84Å; I110-I117 HydrophobicContact CG1-CG1 3.95Å; I110-L216 HydrophobicContact CB-CD2 3.95Å; I110-L216 HydrophobicContact CB-CG 4.48Å; I110-L216 HydrophobicContact CG2-CD1 3.87Å; I110-L216 HydrophobicContact CG2-CD2 3.84Å; I110-L216 HydrophobicContact CG2-CG 3.87Å; I110-L217 HydrophobicContact CD1-CD2 4.49Å; I110-V220 HydrophobicContact CG2-CG2 3.97Å; I110-Y228 HydrophobicContact CD1-CD2 4.42Å; I110-Y228 HydrophobicContact CD1-CE1 4.46Å; I110-Y228 HydrophobicContact CD1-CE2 3.48Å; I110-Y228 VanDerWaalsContact CD1-CE2 3.48Å; I110-Y228 VanDerWaalsContact CD1-OH 3.32Å; I110-Y228 WeakPolarHBondContact CD1-OH 3.49Å
111	D	82.9	Confident	79.7	Confident	16 Å²	16	23 Å²	23	9%	0.086	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	173.7	175.5	25.5	0	0	0	109.6	S89 V90 K113 S114	S89-D111 WeakPolarHBondContact CB-OD1 3.49Å; S89-D111 PolarHBondContact OG-OD1 3.48Å; V90-D111 HydrophobicContact CG2-CB 4.11Å; D111-K113 VanDerWaalsContact CG-N 3.34Å; D111-K113 PolarHBondContact O-N 2.84Å; D111-K113 PolarHBondContact OD1-N 2.97Å; D111-K113 WeakPolarHBondContact OD2-CB 3.35Å; D111-S114 VanDerWaalsContact CB-OG 3.28Å; D111-S114 WeakPolarHBondContact CB-OG 3.27Å; D111-S114 CarbonylContact O-C 3.59Å; D111-S114 PolarHBondContact O-N 3.31Å; D111-S114 VanDerWaalsContact O-N 3.17Å; D111-S114 WeakPolarHBondContact OD2-CB 3.31Å; D111-S114 PolarHBondContact OD2-N 3.06Å; D111-S114 VanDerWaalsContact OD2-N 3.08Å; D111-S114 PolarHBondContact OD2-OG 3.39Å
112	L	78.7	Confident	80.9	Confident	33 Å²	33	22.8 Å²	22.8	17%	0.173	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.9	174.9	-60.5	177.7	0	0	0	112.1	S89 I91 Q224 S334 Q338	S89-L112 WeakPolarHBondContact O-CG 3.48Å; S89-L112 PolarHBondContact O-N 3.13Å; I91-L112 HydrophobicContact CD1-CD1 4.09Å; I91-L112 HydrophobicContact CD1-CD2 4.32Å; I91-L112 HydrophobicContact CD1-CG 4.34Å; L112-Q224 HydrophobicContact CD2-CG 4.18Å; L112-S334 PolarHBondContact O-OG 2.87Å; L112-Q338 PolarHBondContact O-NE2 2.99Å
113	K	73.3	Confident	81.3	Confident	62 Å²	62	16.9 Å²	16.9	27%	0.27	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-3.2	174.3	-59.4	-168.8	-154.1	93	0	114.8	A87 S89 D111 E330 Q331	A87-K113 PolarHBondContact O-NZ 3.26Å; S89-K113 VanDerWaalsContact CB-NZ 3.3Å; S89-K113 WeakPolarHBondContact OG-CG 3.28Å; S89-K113 PolarHBondContact OG-NZ 2.82Å; D111-K113 VanDerWaalsContact CG-N 3.34Å; D111-K113 PolarHBondContact O-N 2.84Å; D111-K113 PolarHBondContact OD1-N 2.97Å; D111-K113 WeakPolarHBondContact OD2-CB 3.35Å; K113-E330 CarbonylContact O-C 3.57Å; K113-E330 VanDerWaalsContact O-C 3.27Å; K113-Q331 WeakPolarHBondContact O-CA 3.38Å; K113-Q331 PolarHBondContact O-N 3.07Å
114	S	73.8	Confident	81.6	Confident	3 Å²	3	17 Å²	17	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	128	176.5	56.5	0	0	0	0	110.8	D111 Q116	D111-S114 VanDerWaalsContact CB-OG 3.28Å; D111-S114 WeakPolarHBondContact CB-OG 3.27Å; D111-S114 CarbonylContact O-C 3.59Å; D111-S114 PolarHBondContact O-N 3.31Å; D111-S114 VanDerWaalsContact O-N 3.17Å; D111-S114 WeakPolarHBondContact OD2-CB 3.31Å; D111-S114 PolarHBondContact OD2-N 3.06Å; D111-S114 VanDerWaalsContact OD2-N 3.08Å; D111-S114 PolarHBondContact OD2-OG 3.39Å; S114-Q116 PolarHBondContact O-N 2.85Å; S114-Q116 PolarHBondContact OG-NE2 2.88Å
115	P	74.6	Confident	81.2	Confident	2 Å²	2	15.9 Å²	15.9	1%	0.013	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	57.6	-169.5	31.4	-31.6	0	0	0	112.2	L233 K234 E330 L333 V337 Y545	P115-L233 HydrophobicContact CB-CD2 3.78Å; P115-L233 WeakPolarHBondContact O-CD2 3.47Å; P115-K234 PolarHBondContact O-N 3.38Å; P115-K234 VanDerWaalsContact O-N 3.14Å; P115-E330 WeakPolarHBondContact CD-O 3.44Å; P115-L333 HydrophobicContact CG-CB 3.65Å; P115-V337 HydrophobicContact CB-CB 4.19Å; P115-V337 HydrophobicContact CB-CG1 4.44Å; P115-V337 HydrophobicContact CB-CG2 4.38Å; P115-V337 HydrophobicContact CG-CG2 4.47Å; P115-Y545 WeakPolarHBondContact CB-OH 3.47Å; P115-Y545 HydrophobicContact CG-CE1 3.77Å; P115-Y545 VanDerWaalsContact CG-OH 3.26Å; P115-Y545 WeakPolarHBondContact CG-OH 3.47Å; P115-Y545 PolarHBondContact O-OH 3.47Å
116	Q	81.5	Confident	80.2	Confident	43 Å²	43	21.2 Å²	21.2	20%	0.201	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.1	179.9	61.6	-173.8	-23.7	0	0	110.4	S114 K234 Y236	S114-Q116 PolarHBondContact O-N 2.85Å; S114-Q116 PolarHBondContact OG-NE2 2.88Å; Q116-K234 CarbonylContact C-O 3.6Å; Q116-K234 WeakPolarHBondContact CA-O 3.27Å; Q116-K234 HydrophobicContact CB-CB 4.25Å; Q116-Y236 HydrophobicContact CB-CE1 4.23Å
117	I	86.9	Confident	79	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.3	171.7	-60.8	179.3	0	0	0	107.3	S109 I110 L119 L217 L233 K234 I235 Y236	S109-I117 WeakPolarHBondContact O-CA 3.06Å; I110-I117 HydrophobicContact CB-CG1 4.28Å; I110-I117 HydrophobicContact CD1-CD1 4.04Å; I110-I117 HydrophobicContact CD1-CG1 3.84Å; I110-I117 HydrophobicContact CG1-CG1 3.95Å; I117-L119 HydrophobicContact CG2-CD2 3.69Å; I117-L119 HydrophobicContact CG2-CG 4.2Å; I117-L217 HydrophobicContact CD1-CD1 4.22Å; I117-L217 HydrophobicContact CD1-CD2 3.7Å; I117-L217 HydrophobicContact CD1-CG 4.15Å; I117-L233 HydrophobicContact CD1-CD1 3.67Å; I117-L233 HydrophobicContact CG1-CD1 4.24Å; I117-K234 PolarHBondContact N-O 3.19Å; I117-I235 HydrophobicContact CB-CG1 4.2Å; I117-I235 HydrophobicContact CB-CG2 4.28Å; I117-I235 HydrophobicContact CD1-CD1 4.26Å; I117-I235 HydrophobicContact CD1-CG1 4.42Å; I117-I235 HydrophobicContact CG2-CG2 4.5Å; I117-I235 WeakPolarHBondContact O-CA 3.44Å; I117-Y236 PolarHBondContact O-N 3.28Å
118	M	86.4	Confident	78	Confident	10 Å²	10	24.8 Å²	24.8	5%	0.049	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.4	170.2	-174.5	-166.6	72.1	0	0	108.6	A108 S109 K134 L138 Y236 Q238	A108-M118 WeakPolarHBondContact CA-O 3.18Å; S109-M118 PolarHBondContact N-O 3.01Å; S109-M118 PolarHBondContact O-N 2.84Å; M118-K134 HydrophobicContact CE-CD 4.4Å; M118-K134 HydrophobicContact CE-CG 4.4Å; M118-L138 HydrophobicContact CE-CD1 3.82Å; M118-L138 HydrophobicContact CE-CD2 3.89Å; M118-L138 HydrophobicContact CE-CG 4.28Å; M118-L138 HydrophobicContact SD-CD2 4.46Å; M118-Y236 HydrophobicContact CB-CE1 4.31Å; M118-Y236 HydrophobicContact CB-CE2 4.12Å; M118-Y236 HydrophobicContact CG-CD2 4.45Å; M118-Y236 HydrophobicContact CG-CE2 3.72Å; M118-Q238 HydrophobicContact CG-CB 4.01Å; M118-Q238 HydrophobicContact SD-CB 4.17Å; M118-Q238 PolarHBondContact SD-OE1 3.01Å
119	L	87.7	Confident	76.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.4	174	-64.3	-173.7	0	0	0	108.8	A108 I117 I188 V203 C209 A213 I235 Y236 F237 Q238	A108-L119 HydrophobicContact CB-CD2 3.85Å; I117-L119 HydrophobicContact CG2-CD2 3.69Å; I117-L119 HydrophobicContact CG2-CG 4.2Å; L119-I188 HydrophobicContact CD1-CD1 3.71Å; L119-I188 HydrophobicContact CD1-CG1 4.49Å; L119-V203 HydrophobicContact CD1-CG1 4.24Å; L119-V203 HydrophobicContact CD1-CG2 4.26Å; L119-C209 VanDerWaalsContact CA-SG 3.58Å; L119-C209 WeakPolarHBondContact CB-SG 3.26Å; L119-A213 HydrophobicContact CD2-CB 3.78Å; L119-I235 HydrophobicContact CD1-CG2 3.54Å; L119-I235 HydrophobicContact CG-CG2 3.94Å; L119-Y236 WeakPolarHBondContact CB-O 3.05Å; L119-Y236 PolarHBondContact N-O 2.97Å; L119-F237 HydrophobicContact CB-CD2 4.18Å; L119-F237 CarbonylContact O-C 3.58Å; L119-F237 VanDerWaalsContact O-CA 3.3Å; L119-F237 WeakPolarHBondContact O-CA 3.49Å; L119-Q238 PolarHBondContact O-N 2.87Å
120	S	86.5	Confident	75.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145	169.7	56.7	0	0	0	0	112.3	M107 C209 Q238	M107-S120 PolarHBondContact N-O 2.72Å; M107-S120 PolarHBondContact O-N 2.77Å; S120-C209 PolarHBondContact N-SG 2.96Å; S120-C209 PolarHBondContact O-SG 3.21Å; S120-C209 VanDerWaalsContact O-SG 3.42Å; S120-Q238 WeakPolarHBondContact CB-O 3.31Å
121	Q	82.1	Confident	75.3	Confident	15 Å²	15	28.5 Å²	28.5	7%	0.07	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.2	167.5	-176.5	168.9	-36	0	0	108.3	E104 I105 R206 Y208 C209 F237	E104-Q121 PolarHBondContact OE2-NE2 3.14Å; I105-Q121 WeakPolarHBondContact O-CA 3.34Å; Q121-R206 HydrophobicContact CB-CB 4.48Å; Q121-R206 PolarHBondContact OE1-O 3.11Å; Q121-Y208 VanDerWaalsContact OE1-N 3.11Å; Q121-C209 HydrophobicContact CB-CB 4.15Å; Q121-F237 HydrophobicContact CB-CE2 4.25Å; Q121-F237 HydrophobicContact CB-CZ 4.44Å; Q121-F237 VanDerWaalsContact N-CE2 3.32Å
122	F	78.6	Confident	75.2	Confident	18 Å²	18	28.6 Å²	28.6	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.9	179.4	50.5	-91.4	0	0	0	110.9	I105 M107 D124 K130 V131 K134	I105-F122 PolarHBondContact N-O 2.92Å; I105-F122 PolarHBondContact O-N 3.28Å; I105-F122 VanDerWaalsContact O-N 3.13Å; M107-F122 HydrophobicContact SD-CE1 3.99Å; M107-F122 HydrophobicContact SD-CZ 3.77Å; F122-D124 HydrophobicContact CD2-CB 4.28Å; F122-D124 HydrophobicContact CE2-CB 4.27Å; F122-K130 HydrophobicContact CD2-CB 3.97Å; F122-K130 HydrophobicContact CD2-CD 3.99Å; F122-K130 HydrophobicContact CE2-CB 3.53Å; F122-K130 HydrophobicContact CE2-CD 4.41Å; F122-K130 HydrophobicContact CZ-CB 4.28Å; F122-V131 HydrophobicContact CE2-CG2 3.65Å; F122-V131 HydrophobicContact CZ-CG2 3.79Å; F122-K134 HydrophobicContact CE1-CD 4.09Å
123	A	68.6	Low	74.9	Confident	63 Å²	63	28 Å²	28	52%	0.521	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.5	165.5	0	0	0	0	0	109.4	K130	A123-K130 PolarHBondContact O-NZ 3.3Å
124	D	66.9	Low	75.2	Confident	17 Å²	17	25.9 Å²	25.9	9%	0.091	15%	0.147	C	C	.	.			trans	-116.4	161.1	175.8	-151.5	-10.6	0	0	0	110.7	G103 I105 F122 Y128 A129 K130 V131	G103-D124 PolarHBondContact O-N 3.31Å; I105-D124 HydrophobicContact CD1-CB 3.48Å; I105-D124 VanDerWaalsContact CD1-CB 3.48Å; F122-D124 HydrophobicContact CD2-CB 4.28Å; F122-D124 HydrophobicContact CE2-CB 4.27Å; D124-Y128 HydrophobicContact CB-CD1 4.49Å; D124-Y128 VanDerWaalsContact OD2-CA 3.24Å; D124-Y128 WeakPolarHBondContact OD2-CA 3.23Å; D124-A129 PolarHBondContact OD1-N 3.39Å; D124-A129 PolarHBondContact OD2-N 2.89Å; D124-K130 WeakPolarHBondContact OD1-CG 3.46Å; D124-K130 PolarHBondContact OD1-N 2.81Å; D124-K130 WeakPolarHBondContact OD2-CA 3.47Å; D124-K130 WeakPolarHBondContact OD2-CB 3.26Å; D124-K130 PolarHBondContact OD2-N 2.95Å; D124-V131 WeakPolarHBondContact OD2-CG2 3.39Å; D124-V131 PolarHBondContact OD2-N 3.01Å
125	N	65.5	Low	75.7	Confident	43 Å²	43	25.7 Å²	25.7	23%	0.23	15%	0.146	C	C	.	.			trans	-78.6	175.1	179.7	59.3	23.5	0	0	0	111.4	T127 Y128 A129 N683	N125-T127 VanDerWaalsContact CG-OG1 3.22Å; N125-T127 PolarHBondContact ND2-OG1 2.96Å; N125-T127 PolarHBondContact O-N 3.32Å; N125-T127 PolarHBondContact OD1-N 2.89Å; N125-T127 PolarHBondContact OD1-OG1 3.12Å; N125-Y128 PolarHBondContact O-N 3.39Å; N125-Y128 PolarHBondContact OD1-N 2.89Å; N125-A129 PolarHBondContact OD1-N 3.43Å; N125-N683 PolarHBondContact ND2-OD1 2.93Å
126	T	63.3	Low	75.7	Confident	113 Å²	113	27.8 Å²	27.8	69%	0.693	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-4.9	180	60.8	0	0	0	0	114	K157	T126-K157 PolarHBondContact O-NZ 3.5Å
127	T	59.7	Low	75.5	Confident	62 Å²	62	27 Å²	27	38%	0.38	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-5.7	171.3	42.6	0	0	0	0	113.6	N125 A129	N125-T127 VanDerWaalsContact CG-OG1 3.22Å; N125-T127 PolarHBondContact ND2-OG1 2.96Å; N125-T127 PolarHBondContact O-N 3.32Å; N125-T127 PolarHBondContact OD1-N 2.89Å; N125-T127 PolarHBondContact OD1-OG1 3.12Å; T127-A129 VanDerWaalsContact C-N 3.25Å; T127-A129 PolarHBondContact O-N 3.37Å
128	Y	70.9	Confident	75.1	Confident	13 Å²	13	28.1 Å²	28.1	5%	0.051	16%	0.16	C	C	.	.			trans	54.1	35.7	177.9	-56.4	-76.8	0	0	0	114.6	E96 I105 D124 N125 K130 V131 I132 K157 L158 L161	E96-Y128 PolarHBondContact OE1-OH 2.98Å; E96-Y128 VanDerWaalsContact OE1-OH 3.05Å; I105-Y128 HydrophobicContact CD1-CD1 3.77Å; I105-Y128 HydrophobicContact CD1-CE1 4.04Å; I105-Y128 HydrophobicContact CG1-CD1 4.48Å; D124-Y128 HydrophobicContact CB-CD1 4.49Å; D124-Y128 VanDerWaalsContact OD2-CA 3.24Å; D124-Y128 WeakPolarHBondContact OD2-CA 3.23Å; N125-Y128 PolarHBondContact O-N 3.39Å; N125-Y128 PolarHBondContact OD1-N 2.89Å; Y128-K130 PolarHBondContact O-N 3.39Å; Y128-V131 PolarHBondContact O-N 2.88Å; Y128-I132 WeakPolarHBondContact O-CG1 3.4Å; Y128-I132 PolarHBondContact O-N 3.13Å; Y128-I132 VanDerWaalsContact O-N 3.13Å; Y128-K157 HydrophobicContact CE2-CB 4.19Å; Y128-K157 HydrophobicContact CE2-CD 4.23Å; Y128-K157 HydrophobicContact CE2-CG 4.3Å; Y128-L158 HydrophobicContact CD1-CB 4.32Å; Y128-L158 HydrophobicContact CD1-CD1 3.72Å; Y128-L158 HydrophobicContact CD1-CG 4.45Å; Y128-L158 HydrophobicContact CD2-CB 4.17Å; Y128-L158 HydrophobicContact CE1-CB 4.2Å; Y128-L158 HydrophobicContact CE1-CD1 3.96Å; Y128-L158 HydrophobicContact CE2-CB 4.02Å; Y128-L158 HydrophobicContact CG-CB 4.29Å; Y128-L158 HydrophobicContact CG-CD1 4.2Å; Y128-L161 HydrophobicContact CD2-CD1 3.74Å; Y128-L161 HydrophobicContact CE2-CD1 4.49Å
129	A	65.9	Low	74.8	Confident	8 Å²	8	29.8 Å²	29.8	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-71	-31.1	-169.8	0	0	0	0	0	113.7	D124 N125 T127 T133 M245 Y679	D124-A129 PolarHBondContact OD1-N 3.39Å; D124-A129 PolarHBondContact OD2-N 2.89Å; N125-A129 PolarHBondContact OD1-N 3.43Å; T127-A129 VanDerWaalsContact C-N 3.25Å; T127-A129 PolarHBondContact O-N 3.37Å; A129-T133 WeakPolarHBondContact O-CB 3.45Å; A129-T133 PolarHBondContact O-N 2.95Å; A129-T133 PolarHBondContact O-OG1 3.48Å; A129-M245 HydrophobicContact CB-CE 4.11Å; A129-Y679 HydrophobicContact CB-CD2 4.47Å; A129-Y679 HydrophobicContact CB-CE2 3.44Å; A129-Y679 VanDerWaalsContact CB-CE2 3.44Å
130	K	69.9	Low	74.7	Confident	76 Å²	76	30.1 Å²	30.1	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-69.6	-40.2	176.2	-58.5	175.5	-172.5	175	0	110.9	F122 A123 D124 Y128 K134	F122-K130 HydrophobicContact CD2-CB 3.97Å; F122-K130 HydrophobicContact CD2-CD 3.99Å; F122-K130 HydrophobicContact CE2-CB 3.53Å; F122-K130 HydrophobicContact CE2-CD 4.41Å; F122-K130 HydrophobicContact CZ-CB 4.28Å; A123-K130 PolarHBondContact O-NZ 3.3Å; D124-K130 WeakPolarHBondContact OD1-CG 3.46Å; D124-K130 PolarHBondContact OD1-N 2.81Å; D124-K130 WeakPolarHBondContact OD2-CA 3.47Å; D124-K130 WeakPolarHBondContact OD2-CB 3.26Å; D124-K130 PolarHBondContact OD2-N 2.95Å; Y128-K130 PolarHBondContact O-N 3.39Å; K130-K134 VanDerWaalsContact O-CB 3.28Å; K130-K134 WeakPolarHBondContact O-CB 3.36Å; K130-K134 PolarHBondContact O-N 2.89Å
131	V	78.4	Confident	74.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-47.8	173.9	176.7	0	0	0	0	111	V94 I105 M107 F122 D124 Y128 K134 L135 L158 I162	V94-V131 HydrophobicContact CG1-CG1 4.43Å; I105-V131 HydrophobicContact CB-CG2 3.82Å; I105-V131 HydrophobicContact CD1-CG2 3.78Å; I105-V131 HydrophobicContact CG1-CG2 3.77Å; I105-V131 HydrophobicContact CG2-CG2 3.77Å; M107-V131 HydrophobicContact SD-CG1 4.14Å; M107-V131 HydrophobicContact SD-CG2 4.38Å; F122-V131 HydrophobicContact CE2-CG2 3.65Å; F122-V131 HydrophobicContact CZ-CG2 3.79Å; D124-V131 WeakPolarHBondContact OD2-CG2 3.39Å; D124-V131 PolarHBondContact OD2-N 3.01Å; Y128-V131 PolarHBondContact O-N 2.88Å; V131-K134 PolarHBondContact O-N 2.89Å; V131-L135 HydrophobicContact CG1-CD1 3.84Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CB 3.34Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.33Å; V131-L135 PolarHBondContact O-N 3.42Å; V131-L158 HydrophobicContact CG2-CD1 4.49Å; V131-I162 HydrophobicContact CG1-CD1 4Å
132	I	79.3	Confident	75	Confident	18 Å²	18	33.9 Å²	33.9	9%	0.092	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-48.1	-179.8	-66	163.8	0	0	0	110.3	Y128 L135 Q136 F166	Y128-I132 WeakPolarHBondContact O-CG1 3.4Å; Y128-I132 PolarHBondContact O-N 3.13Å; Y128-I132 VanDerWaalsContact O-N 3.13Å; I132-L135 PolarHBondContact O-N 3.21Å; I132-Q136 WeakPolarHBondContact O-CG 3.45Å; I132-Q136 PolarHBondContact O-N 3.46Å; I132-F166 HydrophobicContact CG2-CE2 4.49Å
133	T	73.4	Confident	75.5	Confident	21 Å²	21	33 Å²	33	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-58.1	-51	176.9	-55.2	0	0	0	0	111.3	A129 L135 Q136 V137 I246	A129-T133 WeakPolarHBondContact O-CB 3.45Å; A129-T133 PolarHBondContact O-N 2.95Å; A129-T133 PolarHBondContact O-OG1 3.48Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.46Å; T133-Q136 WeakPolarHBondContact O-CB 3.49Å; T133-Q136 PolarHBondContact O-N 2.96Å; T133-V137 WeakPolarHBondContact O-CG2 3.32Å; T133-V137 PolarHBondContact O-N 3.31Å; T133-I246 WeakPolarHBondContact CG2-O 3.37Å
134	K	78.3	Confident	76.6	Confident	16 Å²	16	30 Å²	30	7%	0.07	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-32.8	-178.4	-163.8	152.9	-173.9	158.7	0	112.5	M107 M118 F122 K130 V131 L138 Q238	M107-K134 HydrophobicContact CE-CB 4.46Å; M107-K134 HydrophobicContact CE-CG 4.46Å; M118-K134 HydrophobicContact CE-CD 4.4Å; M118-K134 HydrophobicContact CE-CG 4.4Å; F122-K134 HydrophobicContact CE1-CD 4.09Å; K130-K134 VanDerWaalsContact O-CB 3.28Å; K130-K134 WeakPolarHBondContact O-CB 3.36Å; K130-K134 PolarHBondContact O-N 2.89Å; V131-K134 PolarHBondContact O-N 2.89Å; K134-L138 WeakPolarHBondContact O-CD1 3.43Å; K134-L138 VanDerWaalsContact O-CG 3.22Å; K134-L138 WeakPolarHBondContact O-CG 3.32Å; K134-L138 PolarHBondContact O-N 2.8Å; K134-L138 VanDerWaalsContact O-N 3.13Å; K134-Q238 PolarHBondContact NZ-O 3.48Å
135	L	84.4	Confident	77.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-36	169.9	-74.4	170.6	0	0	0	112.3	V92 V94 M107 V131 I132 T133 L138 S139 P140 I143 I162 F166	V92-L135 HydrophobicContact CB-CD2 4.09Å; V92-L135 HydrophobicContact CG1-CD2 3.76Å; V92-L135 HydrophobicContact CG2-CD2 4.27Å; V94-L135 HydrophobicContact CG2-CD2 4.3Å; M107-L135 HydrophobicContact CE-CD2 3.68Å; M107-L135 HydrophobicContact CE-CG 3.79Å; V131-L135 HydrophobicContact CG1-CD1 3.84Å; V131-L135 HydrophobicContact CG1-CG 4.34Å; V131-L135 WeakPolarHBondContact O-CB 3.34Å; V131-L135 VanDerWaalsContact O-CG 3.29Å; V131-L135 WeakPolarHBondContact O-CG 3.33Å; V131-L135 PolarHBondContact O-N 3.42Å; I132-L135 PolarHBondContact O-N 3.21Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.46Å; L135-L138 PolarHBondContact O-N 3.28Å; L135-S139 PolarHBondContact O-N 2.89Å; L135-P140 HydrophobicContact CD2-CG 4.4Å; L135-P140 WeakPolarHBondContact O-CD 3.22Å; L135-I143 HydrophobicContact CD1-CD1 4.34Å; L135-I143 HydrophobicContact CD2-CD1 4.24Å; L135-I143 HydrophobicContact CD2-CG1 4.4Å; L135-I162 HydrophobicContact CD1-CD1 3.86Å; L135-I162 HydrophobicContact CD1-CG1 4.02Å; L135-I162 HydrophobicContact CD1-CG2 3.84Å; L135-F166 HydrophobicContact CB-CE1 4.17Å; L135-F166 HydrophobicContact CB-CE2 3.79Å; L135-F166 HydrophobicContact CB-CZ 3.35Å; L135-F166 HydrophobicContact CD1-CE2 3.99Å; L135-F166 HydrophobicContact CD1-CZ 4.41Å
136	Q	76.1	Confident	78.5	Confident	45 Å²	45	28.3 Å²	28.3	21%	0.21	16%	0.158	C	C	.	.	H	α-helix	trans	-71.8	-37.7	176.7	-69.1	-179.6	-14.8	0	0	112.9	I132 T133 L138 S139 F166 S248	I132-Q136 WeakPolarHBondContact O-CG 3.45Å; I132-Q136 PolarHBondContact O-N 3.46Å; T133-Q136 WeakPolarHBondContact O-CB 3.49Å; T133-Q136 PolarHBondContact O-N 2.96Å; Q136-L138 VanDerWaalsContact C-N 3.31Å; Q136-L138 PolarHBondContact O-N 3.4Å; Q136-S139 PolarHBondContact O-N 3.02Å; Q136-F166 HydrophobicContact CG-CE1 3.84Å; Q136-F166 HydrophobicContact CG-CZ 3.55Å; Q136-S248 VanDerWaalsContact NE2-CB 3.33Å; Q136-S248 PolarHBondContact NE2-OG 3.48Å; Q136-S248 PolarHBondContact OE1-OG 3.04Å
137	V	76.9	Confident	79.4	Confident	26 Å²	26	25.9 Å²	25.9	16%	0.158	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-46.6	171.1	177.2	0	0	0	0	110.7	T133 L290 E291	T133-V137 WeakPolarHBondContact O-CG2 3.32Å; T133-V137 PolarHBondContact O-N 3.31Å; V137-L290 HydrophobicContact CB-CD1 4.31Å; V137-L290 HydrophobicContact CG2-CB 4.06Å; V137-L290 HydrophobicContact CG2-CD1 4.02Å; V137-E291 HydrophobicContact CG1-CG 4.21Å; V137-E291 HydrophobicContact CG2-CG 4Å
138	L	79.1	Confident	80	Confident	27 Å²	27	25.5 Å²	25.5	14%	0.141	14%	0.138	C	C	.	.	H	α-helix	trans	-70.1	-29.5	178.3	-67.6	169.8	0	0	0	113.3	V90 V92 M107 M118 K134 L135 Q136	V90-L138 HydrophobicContact CG1-CB 4.32Å; V90-L138 HydrophobicContact CG1-CD2 4.32Å; V90-L138 VanDerWaalsContact CG2-O 3.28Å; V90-L138 WeakPolarHBondContact CG2-O 3.46Å; V92-L138 HydrophobicContact CG1-CD1 4.3Å; V92-L138 HydrophobicContact CG2-CB 4.35Å; V92-L138 HydrophobicContact CG2-CD1 3.84Å; M107-L138 HydrophobicContact CE-CD1 4.24Å; M118-L138 HydrophobicContact CE-CD1 3.82Å; M118-L138 HydrophobicContact CE-CD2 3.89Å; M118-L138 HydrophobicContact CE-CG 4.28Å; M118-L138 HydrophobicContact SD-CD2 4.46Å; K134-L138 WeakPolarHBondContact O-CD1 3.43Å; K134-L138 VanDerWaalsContact O-CG 3.22Å; K134-L138 WeakPolarHBondContact O-CG 3.32Å; K134-L138 PolarHBondContact O-N 2.8Å; K134-L138 VanDerWaalsContact O-N 3.13Å; L135-L138 PolarHBondContact O-N 3.28Å; Q136-L138 VanDerWaalsContact C-N 3.31Å; Q136-L138 PolarHBondContact O-N 3.4Å
139	S	79.1	Confident	79.6	Confident	45 Å²	45	25.1 Å²	25.1	32%	0.315	14%	0.138	S	C	.	.			trans	48	65.7	-175.5	53	0	0	0	0	113.2	P88 L135 Q136	P88-S139 VanDerWaalsContact CB-O 3.24Å; P88-S139 WeakPolarHBondContact CB-O 3.38Å; L135-S139 PolarHBondContact O-N 2.89Å; Q136-S139 PolarHBondContact O-N 3.02Å
140	P	86.5	Confident	79.3	Confident	6 Å²	6	27.3 Å²	27.3	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.6	-172.8	23.8	-34.6	0	0	0	113.5	V90 V92 L135 I143 V169	V90-P140 CarbonylContact O-C 3.58Å; V90-P140 VanDerWaalsContact O-CA 3.31Å; V90-P140 WeakPolarHBondContact O-CA 3.29Å; V92-P140 HydrophobicContact CG2-CB 3.94Å; L135-P140 HydrophobicContact CD2-CG 4.4Å; L135-P140 WeakPolarHBondContact O-CD 3.22Å; P140-I143 HydrophobicContact CB-CG1 3.91Å; P140-I143 HydrophobicContact CG-CD1 3.84Å; P140-I143 HydrophobicContact CG-CG1 3.76Å; P140-V169 HydrophobicContact CB-CG1 4.26Å; P140-V169 HydrophobicContact CG-CG1 4.19Å
141	L	85.8	Confident	79.1	Confident	72 Å²	72	27.1 Å²	27.1	38%	0.377	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-37.3	161.7	177	64.4	0	0	0	110.5	P88 V90 N170	P88-L141 HydrophobicContact CB-CB 4.16Å; P88-L141 HydrophobicContact CG-CB 4.4Å; P88-L141 HydrophobicContact CG-CD1 4.12Å; V90-L141 PolarHBondContact O-N 3.35Å; L141-N170 PolarHBondContact O-N 2.95Å
142	E	88.3	Confident	77.7	Confident	22 Å²	22	34.3 Å²	34.3	10%	0.103	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138	-176.8	179.5	157.9	-130.5	0	0	111.5	I91 V92 N170 T172 Y219	I91-E142 WeakPolarHBondContact CA-O 3.4Å; I91-E142 HydrophobicContact CG2-CB 4.45Å; V92-E142 PolarHBondContact N-O 3.46Å; E142-N170 CarbonylContact C-O 3.6Å; E142-N170 WeakPolarHBondContact CA-O 3.45Å; E142-N170 HydrophobicContact CB-CB 4.25Å; E142-N170 HydrophobicContact CG-CB 4.15Å; E142-T172 WeakPolarHBondContact OE1-CB 3.49Å; E142-T172 PolarHBondContact OE1-OG1 3.03Å; E142-Y219 PolarHBondContact OE1-OH 3.24Å; E142-Y219 WeakPolarHBondContact OE2-CE1 3.49Å; E142-Y219 PolarHBondContact OE2-OH 3.03Å
143	I	90.2	Very high	76.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.8	176.2	-63.6	170.2	0	0	0	109	V92 V94 L135 P140 M145 I162 F166 V169 N170 F171 T172	V92-I143 CarbonylContact O-C 3.58Å; V92-I143 WeakPolarHBondContact O-CA 3.23Å; V94-I143 HydrophobicContact CG2-CG2 4.3Å; L135-I143 HydrophobicContact CD1-CD1 4.34Å; L135-I143 HydrophobicContact CD2-CD1 4.24Å; L135-I143 HydrophobicContact CD2-CG1 4.4Å; P140-I143 HydrophobicContact CB-CG1 3.91Å; P140-I143 HydrophobicContact CG-CD1 3.84Å; P140-I143 HydrophobicContact CG-CG1 3.76Å; I143-M145 HydrophobicContact CG2-CG 4.18Å; I143-I162 HydrophobicContact CD1-CG2 3.73Å; I143-F166 HydrophobicContact CD1-CG 4.44Å; I143-V169 HydrophobicContact CD1-CG1 4.01Å; I143-V169 HydrophobicContact CG1-CG1 3.9Å; I143-N170 PolarHBondContact N-O 3.06Å; I143-F171 HydrophobicContact CB-CD1 4.03Å; I143-F171 HydrophobicContact CB-CE1 4Å; I143-F171 HydrophobicContact CD1-CE1 3.92Å; I143-F171 HydrophobicContact CD1-CZ 4.1Å; I143-F171 HydrophobicContact CG2-CD1 4.18Å; I143-F171 HydrophobicContact CG2-CE1 4.07Å; I143-T172 PolarHBondContact O-N 2.98Å
144	I	90	Very high	75.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	177.1	-54.1	167	0	0	0	109.2	I91 V92 A93 V94 T172 V174 F179 L216 Y219	I91-I144 HydrophobicContact CG2-CD1 3.57Å; I91-I144 HydrophobicContact CG2-CG1 3.95Å; V92-I144 PolarHBondContact O-N 3.09Å; A93-I144 WeakPolarHBondContact CA-O 3.38Å; A93-I144 HydrophobicContact CB-CB 4.15Å; V94-I144 PolarHBondContact N-O 3.47Å; I144-T172 WeakPolarHBondContact CA-O 3.46Å; I144-V174 HydrophobicContact CG2-CB 3.87Å; I144-V174 HydrophobicContact CG2-CG2 3.51Å; I144-F179 HydrophobicContact CG2-CZ 4.19Å; I144-L216 HydrophobicContact CD1-CD1 3.69Å; I144-Y219 HydrophobicContact CD1-CD1 3.32Å; I144-Y219 HydrophobicContact CD1-CD2 4.38Å; I144-Y219 HydrophobicContact CD1-CE1 3.95Å; I144-Y219 HydrophobicContact CD1-CG 3.56Å; I144-Y219 HydrophobicContact CG1-CD1 3.97Å; I144-Y219 HydrophobicContact CG1-CE1 4.1Å; I144-Y219 HydrophobicContact CG1-CG 4.24Å
145	M	88.4	Confident	75.3	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.8	172.6	-72	-171.5	71	0	0	111.7	V94 I143 A149 L158 F159 T172 T173 V174	V94-M145 HydrophobicContact CB-CG 4.24Å; I143-M145 HydrophobicContact CG2-CG 4.18Å; M145-A149 HydrophobicContact CE-CB 3.69Å; M145-L158 HydrophobicContact CE-CD2 3.3Å; M145-L158 HydrophobicContact SD-CD2 4.18Å; M145-F159 HydrophobicContact CE-CB 4.22Å; M145-F159 HydrophobicContact CE-CD2 4.27Å; M145-F159 HydrophobicContact SD-CD2 3.76Å; M145-T172 PolarHBondContact N-O 3.32Å; M145-T172 VanDerWaalsContact N-O 3.16Å; M145-T173 CarbonylContact O-C 3.5Å; M145-T173 VanDerWaalsContact O-CA 3.31Å; M145-T173 WeakPolarHBondContact O-CA 3.37Å; M145-V174 PolarHBondContact O-N 3.12Å
146	S	85.2	Confident	74.8	Confident	18 Å²	18	46.2 Å²	46.2	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.8	175	82.9	0	0	0	0	111.1	T148 A149 V174	S146-T148 PolarHBondContact O-N 3.1Å; S146-T148 PolarHBondContact OG-N 3Å; S146-T148 PolarHBondContact OG-OG1 2.97Å; S146-A149 WeakPolarHBondContact O-CB 3.31Å; S146-A149 PolarHBondContact O-N 3.12Å; S146-A149 PolarHBondContact OG-N 2.91Å; S146-V174 WeakPolarHBondContact CA-O 3.4Å
147	N	80.8	Confident	74.6	Confident	63 Å²	63	49.1 Å²	49.1	34%	0.337	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-52.3	-28	171.3	-65.6	78.2	0	0	0	112.7	A149 C150 T173 V174 Q175	N147-A149 PolarHBondContact O-N 2.71Å; N147-C150 CarbonylContact O-C 3.59Å; N147-C150 PolarHBondContact O-N 2.84Å; N147-T173 PolarHBondContact ND2-OG1 3.06Å; N147-T173 VanDerWaalsContact ND2-OG1 3.08Å; N147-V174 PolarHBondContact N-O 3.35Å; N147-V174 VanDerWaalsContact N-O 3.14Å; N147-V174 PolarHBondContact OD1-N 3.13Å; N147-V174 PolarHBondContact OD1-O 3.13Å; N147-Q175 WeakPolarHBondContact OD1-CA 3.44Å; N147-Q175 PolarHBondContact OD1-N 3.17Å
148	T	72.4	Confident	74.6	Confident	53 Å²	53	47.9 Å²	47.9	33%	0.325	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-75.5	-1.3	178	56.8	0	0	0	0	115.3	R98 S146	R98-T148 PolarHBondContact NH2-OG1 3.26Å; S146-T148 PolarHBondContact O-N 3.1Å; S146-T148 PolarHBondContact OG-N 3Å; S146-T148 PolarHBondContact OG-OG1 2.97Å
149	A	63.1	Low	74.7	Confident	5 Å²	5	48 Å²	48	4%	0.041	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-91	-25.3	166.6	0	0	0	0	0	112.3	M145 S146 N147 S155 T156 F159	M145-A149 HydrophobicContact CE-CB 3.69Å; S146-A149 WeakPolarHBondContact O-CB 3.31Å; S146-A149 PolarHBondContact O-N 3.12Å; S146-A149 PolarHBondContact OG-N 2.91Å; N147-A149 PolarHBondContact O-N 2.71Å; A149-S155 WeakPolarHBondContact O-CA 3.32Å; A149-T156 HydrophobicContact CB-CG2 4.46Å; A149-T156 PolarHBondContact O-N 3Å; A149-T156 VanDerWaalsContact O-N 3.11Å; A149-F159 HydrophobicContact CB-CB 4.48Å
150	C	60	Low	74.7	Confident	54 Å²	54	48.3 Å²	48.3	37%	0.365	29%	0.294	S	S	.	.	S	Bend	trans	-111.4	58.1	-178.7	-177	0	0	0	0	110.4	N147 F159 T173	N147-C150 CarbonylContact O-C 3.59Å; N147-C150 PolarHBondContact O-N 2.84Å; C150-F159 HydrophobicContact CB-CD2 4.23Å; C150-F159 HydrophobicContact CB-CE1 4.17Å; C150-F159 HydrophobicContact CB-CE2 3.79Å; C150-F159 HydrophobicContact CB-CZ 3.76Å; C150-F159 VanDerWaalsContact SG-CZ 3.55Å; C150-T173 HydrophobicContact CB-CG2 3.87Å
151	V	64.6	Low	74.1	Confident	73 Å²	73	49.7 Å²	49.7	44%	0.442	30%	0.301	S	S	.	.			trans	-88	125.6	171.6	-176.9	0	0	0	0	108.6	G153 N154 S155	V151-G153 PolarHBondContact O-N 2.78Å; V151-G153 VanDerWaalsContact O-N 3.15Å; V151-N154 CarbonylContact O-C 3.59Å; V151-N154 VanDerWaalsContact O-C 3.3Å; V151-N154 PolarHBondContact O-N 3.12Å; V151-S155 PolarHBondContact O-N 3.03Å
152	V	49.5	Very low	74	Confident	150 Å²	150	46.3 Å²	46.3	91%	0.909	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	119.1	178.6	-178.9	0	0	0	0	109.6
153	G	52.3	Low	73.6	Confident	86 Å²	86	47.8 Å²	47.8	89%	0.887	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-4.9	-176.5	0	0	0	0	0	116.1	V151	V151-G153 PolarHBondContact O-N 2.78Å; V151-G153 VanDerWaalsContact O-N 3.15Å
154	N	59.8	Low	73.1	Confident	130 Å²	130	53.5 Å²	53.5	70%	0.695	32%	0.32	S	S	*	.			trans	-152.4	61.2	174.8	-166.1	9.8	0	0	0	111.3	V151	V151-N154 CarbonylContact O-C 3.59Å; V151-N154 VanDerWaalsContact O-C 3.3Å; V151-N154 PolarHBondContact O-N 3.12Å
155	S	68	Low	72.3	Confident	52 Å²	52	57 Å²	57	36%	0.364	34%	0.339	S	S	.	.			trans	-74	143.3	173.6	48.4	0	0	0	0	111.1	A149 V151	A149-S155 WeakPolarHBondContact O-CA 3.32Å; V151-S155 PolarHBondContact O-N 3.03Å
156	T	73.9	Confident	71.9	Confident	37 Å²	37	57.6 Å²	57.6	23%	0.227	34%	0.341	C	S	.	.			trans	-66.9	144.5	174.4	54.2	0	0	0	0	110.6	E96 A149 L158 F159 T160	E96-T156 WeakPolarHBondContact OE2-CB 3.35Å; A149-T156 HydrophobicContact CB-CG2 4.46Å; A149-T156 PolarHBondContact O-N 3Å; A149-T156 VanDerWaalsContact O-N 3.11Å; T156-L158 PolarHBondContact O-N 3.32Å; T156-L158 VanDerWaalsContact O-N 3.15Å; T156-F159 WeakPolarHBondContact O-CA 3.43Å; T156-F159 WeakPolarHBondContact O-CB 3.38Å; T156-F159 PolarHBondContact O-N 3.36Å; T156-F159 WeakPolarHBondContact OG1-CB 3.49Å; T156-F159 PolarHBondContact OG1-N 3.36Å; T156-T160 PolarHBondContact O-N 2.9Å; T156-T160 VanDerWaalsContact O-N 3.15Å; T156-T160 PolarHBondContact O-OG1 3.33Å; T156-T160 VanDerWaalsContact O-OG1 3.09Å
157	K	72.6	Confident	71.2	Confident	107 Å²	107	63.4 Å²	63.4	47%	0.465	36%	0.364	S	S	.	.	H	α-helix	trans	-54.8	-35.6	179.3	-171	-173.2	179.6	-164.5	0	112.2	T126 Y128 T160 L161	T126-K157 PolarHBondContact O-NZ 3.5Å; Y128-K157 HydrophobicContact CE2-CB 4.19Å; Y128-K157 HydrophobicContact CE2-CD 4.23Å; Y128-K157 HydrophobicContact CE2-CG 4.3Å; K157-T160 PolarHBondContact O-N 3.24Å; K157-T160 PolarHBondContact O-OG1 3.42Å; K157-L161 HydrophobicContact CD-CD1 4.44Å; K157-L161 HydrophobicContact CG-CD1 4.02Å; K157-L161 WeakPolarHBondContact O-CB 3.44Å; K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 3.11Å
158	L	77.6	Confident	70.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64.7	-39.6	174.4	175.8	149.4	0	0	0	112.2	V94 E96 I105 Y128 V131 M145 T156 I162	V94-L158 HydrophobicContact CG1-CD2 4.15Å; E96-L158 HydrophobicContact CB-CD1 4.47Å; I105-L158 HydrophobicContact CD1-CD1 4.34Å; I105-L158 HydrophobicContact CG1-CD1 3.67Å; Y128-L158 HydrophobicContact CD1-CB 4.32Å; Y128-L158 HydrophobicContact CD1-CD1 3.72Å; Y128-L158 HydrophobicContact CD1-CG 4.45Å; Y128-L158 HydrophobicContact CD2-CB 4.17Å; Y128-L158 HydrophobicContact CE1-CB 4.2Å; Y128-L158 HydrophobicContact CE1-CD1 3.96Å; Y128-L158 HydrophobicContact CE2-CB 4.02Å; Y128-L158 HydrophobicContact CG-CB 4.29Å; Y128-L158 HydrophobicContact CG-CD1 4.2Å; V131-L158 HydrophobicContact CG2-CD1 4.49Å; M145-L158 HydrophobicContact CE-CD2 3.3Å; M145-L158 HydrophobicContact SD-CD2 4.18Å; T156-L158 PolarHBondContact O-N 3.32Å; T156-L158 VanDerWaalsContact O-N 3.15Å; L158-I162 HydrophobicContact CD2-CD1 3.48Å; L158-I162 VanDerWaalsContact CD2-CD1 3.48Å; L158-I162 HydrophobicContact CG-CD1 3.77Å; L158-I162 HydrophobicContact CG-CG1 4.49Å; L158-I162 WeakPolarHBondContact O-CB 3.19Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 2.91Å
159	F	81.6	Confident	71.3	Confident	30 Å²	30	67 Å²	67	13%	0.132	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-46	175.5	179.8	-92.1	0	0	0	111.1	M145 A149 C150 T156 I162 T163	M145-F159 HydrophobicContact CE-CB 4.22Å; M145-F159 HydrophobicContact CE-CD2 4.27Å; M145-F159 HydrophobicContact SD-CD2 3.76Å; A149-F159 HydrophobicContact CB-CB 4.48Å; C150-F159 HydrophobicContact CB-CD2 4.23Å; C150-F159 HydrophobicContact CB-CE1 4.17Å; C150-F159 HydrophobicContact CB-CE2 3.79Å; C150-F159 HydrophobicContact CB-CZ 3.76Å; C150-F159 VanDerWaalsContact SG-CZ 3.55Å; T156-F159 WeakPolarHBondContact O-CA 3.43Å; T156-F159 WeakPolarHBondContact O-CB 3.38Å; T156-F159 PolarHBondContact O-N 3.36Å; T156-F159 WeakPolarHBondContact OG1-CB 3.49Å; T156-F159 PolarHBondContact OG1-N 3.36Å; F159-I162 PolarHBondContact O-N 3.38Å; F159-T163 WeakPolarHBondContact O-CB 3.49Å; F159-T163 PolarHBondContact O-N 3.23Å; F159-T163 PolarHBondContact O-OG1 3.45Å
160	T	78.6	Confident	72.3	Confident	50 Å²	50	71.6 Å²	71.6	31%	0.307	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-51	177.5	-2.4	0	0	0	0	111.5	T156 K157 I162 T163 E164	T156-T160 PolarHBondContact O-N 2.9Å; T156-T160 VanDerWaalsContact O-N 3.15Å; T156-T160 PolarHBondContact O-OG1 3.33Å; T156-T160 VanDerWaalsContact O-OG1 3.09Å; K157-T160 PolarHBondContact O-N 3.24Å; K157-T160 PolarHBondContact O-OG1 3.42Å; T160-I162 PolarHBondContact O-N 3.45Å; T160-T163 PolarHBondContact O-N 2.88Å; T160-E164 WeakPolarHBondContact O-CB 3.49Å; T160-E164 VanDerWaalsContact O-CG 3.31Å; T160-E164 WeakPolarHBondContact O-CG 3.33Å; T160-E164 PolarHBondContact O-N 3.22Å
161	L	74.2	Confident	73.4	Confident	35 Å²	35	71.8 Å²	71.8	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-40.5	-179.7	-74.3	167.1	0	0	0	113	Y128 K157 E164 N165	Y128-L161 HydrophobicContact CD2-CD1 3.74Å; Y128-L161 HydrophobicContact CE2-CD1 4.49Å; K157-L161 HydrophobicContact CD-CD1 4.44Å; K157-L161 HydrophobicContact CG-CD1 4.02Å; K157-L161 WeakPolarHBondContact O-CB 3.44Å; K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 3.11Å; L161-E164 PolarHBondContact O-N 3.41Å; L161-N165 WeakPolarHBondContact O-CB 3.39Å; L161-N165 PolarHBondContact O-N 3.29Å; L161-N165 VanDerWaalsContact O-N 3.07Å; L161-N165 PolarHBondContact O-ND2 3.1Å
162	I	82.1	Confident	74.4	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-69.7	-40.4	177.1	-61.5	169.3	0	0	0	110.2	V94 V131 L135 I143 L158 F159 T160 E164 N165 F166 F171	V94-I162 HydrophobicContact CG1-CD1 4.5Å; V131-I162 HydrophobicContact CG1-CD1 4Å; L135-I162 HydrophobicContact CD1-CD1 3.86Å; L135-I162 HydrophobicContact CD1-CG1 4.02Å; L135-I162 HydrophobicContact CD1-CG2 3.84Å; I143-I162 HydrophobicContact CD1-CG2 3.73Å; L158-I162 HydrophobicContact CD2-CD1 3.48Å; L158-I162 VanDerWaalsContact CD2-CD1 3.48Å; L158-I162 HydrophobicContact CG-CD1 3.77Å; L158-I162 HydrophobicContact CG-CG1 4.49Å; L158-I162 WeakPolarHBondContact O-CB 3.19Å; L158-I162 WeakPolarHBondContact O-CG1 3.4Å; L158-I162 PolarHBondContact O-N 2.91Å; F159-I162 PolarHBondContact O-N 3.38Å; T160-I162 PolarHBondContact O-N 3.45Å; I162-E164 VanDerWaalsContact C-N 3.34Å; I162-E164 PolarHBondContact O-N 3.36Å; I162-N165 PolarHBondContact O-N 3.24Å; I162-F166 HydrophobicContact CG2-CD2 3.77Å; I162-F166 HydrophobicContact CG2-CE2 4.32Å; I162-F166 WeakPolarHBondContact O-CB 3.4Å; I162-F166 WeakPolarHBondContact O-CD2 3.49Å; I162-F166 PolarHBondContact O-N 3.08Å; I162-F171 HydrophobicContact CB-CE1 4.47Å; I162-F171 HydrophobicContact CG2-CE1 3.67Å; I162-F171 HydrophobicContact CG2-CZ 3.86Å
163	T	81.3	Confident	76	Confident	53 Å²	53	66 Å²	66	33%	0.325	37%	0.366	S	S	.	.	H	α-helix	trans	-63.3	-37.9	175.1	-56.5	0	0	0	0	112.6	F159 T160	F159-T163 WeakPolarHBondContact O-CB 3.49Å; F159-T163 PolarHBondContact O-N 3.23Å; F159-T163 PolarHBondContact O-OG1 3.45Å; T160-T163 PolarHBondContact O-N 2.88Å
164	E	78.2	Confident	77.5	Confident	119 Å²	119	62.6 Å²	62.6	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-42.6	176.4	-74.8	165.1	-166.3	0	0	112.4	T160 L161 I162	T160-E164 WeakPolarHBondContact O-CB 3.49Å; T160-E164 VanDerWaalsContact O-CG 3.31Å; T160-E164 WeakPolarHBondContact O-CG 3.33Å; T160-E164 PolarHBondContact O-N 3.22Å; L161-E164 PolarHBondContact O-N 3.41Å; I162-E164 VanDerWaalsContact C-N 3.34Å; I162-E164 PolarHBondContact O-N 3.36Å
165	N	73.7	Confident	78.7	Confident	73 Å²	73	61.3 Å²	61.3	39%	0.39	32%	0.318	S	S	.	.	H	α-helix	trans	-78.7	-26.3	-179	-77.7	-84.2	0	0	0	113.9	L161 I162	L161-N165 WeakPolarHBondContact O-CB 3.39Å; L161-N165 PolarHBondContact O-N 3.29Å; L161-N165 VanDerWaalsContact O-N 3.07Å; L161-N165 PolarHBondContact O-ND2 3.1Å; I162-N165 PolarHBondContact O-N 3.24Å
166	F	80.1	Confident	79.4	Confident	19 Å²	19	65.4 Å²	65.4	8%	0.083	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	46.7	-172.3	-65.3	-88.2	0	0	0	113.2	I132 L135 Q136 I143 I162 N168 V169 F171	I132-F166 HydrophobicContact CG2-CE2 4.49Å; L135-F166 HydrophobicContact CB-CE1 4.17Å; L135-F166 HydrophobicContact CB-CE2 3.79Å; L135-F166 HydrophobicContact CB-CZ 3.35Å; L135-F166 HydrophobicContact CD1-CE2 3.99Å; L135-F166 HydrophobicContact CD1-CZ 4.41Å; Q136-F166 HydrophobicContact CG-CE1 3.84Å; Q136-F166 HydrophobicContact CG-CZ 3.55Å; I143-F166 HydrophobicContact CD1-CG 4.44Å; I162-F166 HydrophobicContact CG2-CD2 3.77Å; I162-F166 HydrophobicContact CG2-CE2 4.32Å; I162-F166 WeakPolarHBondContact O-CB 3.4Å; I162-F166 WeakPolarHBondContact O-CD2 3.49Å; I162-F166 PolarHBondContact O-N 3.08Å; F166-N168 PolarHBondContact O-N 3.18Å; F166-V169 HydrophobicContact CB-CB 4.13Å; F166-V169 HydrophobicContact CB-CG2 3.9Å; F166-V169 HydrophobicContact CD1-CG2 3.98Å; F166-V169 HydrophobicContact CG-CG2 4.4Å; F166-V169 PolarHBondContact O-N 2.87Å; F166-F171 HydrophobicContact CB-CE2 4.47Å; F166-F171 HydrophobicContact CB-CZ 4.11Å
167	K	71.6	Confident	80	Confident	140 Å²	140	70 Å²	70	61%	0.609	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-28.8	-179.3	-59.6	-179.8	-174.3	172.1	0	115.3	E664	K167-E664 IonicContact NZ-OE2 2.76Å
168	N	73.9	Confident	80.6	Confident	166 Å²	166	69.4 Å²	69.4	89%	0.888	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	5.1	-174.8	-64.9	-16.7	0	0	0	114.5	F166	F166-N168 PolarHBondContact O-N 3.18Å
169	V	81.4	Confident	81	Confident	25 Å²	25	70 Å²	70	15%	0.152	34%	0.341	C	S	.	.	S	Bend	trans	-103	141.9	-177.8	-178.7	0	0	0	0	110.3	P140 I143 F166 F171	P140-V169 HydrophobicContact CB-CG1 4.26Å; P140-V169 HydrophobicContact CG-CG1 4.19Å; I143-V169 HydrophobicContact CD1-CG1 4.01Å; I143-V169 HydrophobicContact CG1-CG1 3.9Å; F166-V169 HydrophobicContact CB-CB 4.13Å; F166-V169 HydrophobicContact CB-CG2 3.9Å; F166-V169 HydrophobicContact CD1-CG2 3.98Å; F166-V169 HydrophobicContact CG-CG2 4.4Å; F166-V169 PolarHBondContact O-N 2.87Å; V169-F171 VanDerWaalsContact O-CD2 3.23Å; V169-F171 WeakPolarHBondContact O-CD2 3.48Å; V169-F171 WeakPolarHBondContact O-CE2 3.35Å
170	N	82.6	Confident	81.3	Confident	102 Å²	102	71 Å²	71	55%	0.545	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.7	175.2	-77	-20.3	0	0	0	110.8	L141 E142 I143	L141-N170 PolarHBondContact O-N 2.95Å; E142-N170 CarbonylContact C-O 3.6Å; E142-N170 WeakPolarHBondContact CA-O 3.45Å; E142-N170 HydrophobicContact CB-CB 4.25Å; E142-N170 HydrophobicContact CG-CB 4.15Å; I143-N170 PolarHBondContact N-O 3.06Å
171	F	83.3	Confident	81.6	Confident	59 Å²	59	72.2 Å²	72.2	26%	0.259	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.8	174.9	-73.8	-86.7	0	0	0	110.4	I143 I162 F166 V169	I143-F171 HydrophobicContact CB-CD1 4.03Å; I143-F171 HydrophobicContact CB-CE1 4Å; I143-F171 HydrophobicContact CD1-CE1 3.92Å; I143-F171 HydrophobicContact CD1-CZ 4.1Å; I143-F171 HydrophobicContact CG2-CD1 4.18Å; I143-F171 HydrophobicContact CG2-CE1 4.07Å; I162-F171 HydrophobicContact CB-CE1 4.47Å; I162-F171 HydrophobicContact CG2-CE1 3.67Å; I162-F171 HydrophobicContact CG2-CZ 3.86Å; F166-F171 HydrophobicContact CB-CE2 4.47Å; F166-F171 HydrophobicContact CB-CZ 4.11Å; V169-F171 VanDerWaalsContact O-CD2 3.23Å; V169-F171 WeakPolarHBondContact O-CD2 3.48Å; V169-F171 WeakPolarHBondContact O-CE2 3.35Å
172	T	85.2	Confident	82.1	Confident	44 Å²	44	73.9 Å²	73.9	27%	0.27	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.9	177.2	-67.9	0	0	0	0	111.5	E142 I143 I144 M145 Y219	E142-T172 WeakPolarHBondContact OE1-CB 3.49Å; E142-T172 PolarHBondContact OE1-OG1 3.03Å; I143-T172 PolarHBondContact O-N 2.98Å; I144-T172 WeakPolarHBondContact CA-O 3.46Å; M145-T172 PolarHBondContact N-O 3.32Å; M145-T172 VanDerWaalsContact N-O 3.16Å; T172-Y219 WeakPolarHBondContact CB-OH 3.2Å; T172-Y219 HydrophobicContact CG2-CE2 3.51Å; T172-Y219 WeakPolarHBondContact CG2-OH 3.34Å; T172-Y219 PolarHBondContact OG1-OH 3.03Å
173	T	84.3	Confident	82.3	Confident	57 Å²	57	78.8 Å²	78.8	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	-179.3	57.7	0	0	0	0	111.7	M145 N147 C150	M145-T173 CarbonylContact O-C 3.5Å; M145-T173 VanDerWaalsContact O-CA 3.31Å; M145-T173 WeakPolarHBondContact O-CA 3.37Å; N147-T173 PolarHBondContact ND2-OG1 3.06Å; N147-T173 VanDerWaalsContact ND2-OG1 3.08Å; C150-T173 HydrophobicContact CB-CG2 3.87Å
174	V	84.5	Confident	82.5	Confident	15 Å²	15	76.2 Å²	76.2	9%	0.091	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.6	-176.5	169.9	0	0	0	0	110.8	I144 M145 S146 N147 R176 Y178 F179 A215 Y219	I144-V174 HydrophobicContact CG2-CB 3.87Å; I144-V174 HydrophobicContact CG2-CG2 3.51Å; M145-V174 PolarHBondContact O-N 3.12Å; S146-V174 WeakPolarHBondContact CA-O 3.4Å; N147-V174 PolarHBondContact N-O 3.35Å; N147-V174 VanDerWaalsContact N-O 3.14Å; N147-V174 PolarHBondContact OD1-N 3.13Å; N147-V174 PolarHBondContact OD1-O 3.13Å; V174-R176 PolarHBondContact O-N 3.31Å; V174-Y178 HydrophobicContact CG1-CD2 3.7Å; V174-Y178 HydrophobicContact CG1-CG 4.3Å; V174-F179 HydrophobicContact CB-CE2 3.89Å; V174-F179 HydrophobicContact CB-CZ 4.41Å; V174-F179 HydrophobicContact CG1-CE2 3.93Å; V174-F179 WeakPolarHBondContact O-CE2 3.24Å; V174-A215 HydrophobicContact CG1-CB 4.42Å; V174-Y219 HydrophobicContact CG2-CD2 3.65Å; V174-Y219 HydrophobicContact CG2-CE2 4.14Å; V174-Y219 HydrophobicContact CG2-CG 4.48Å
175	Q	84.6	Confident	82.7	Confident	103 Å²	103	72.6 Å²	72.6	48%	0.481	35%	0.351	S	S	.	.			trans	-60.6	133.1	-174.2	-67.3	-175.5	-6.7	0	0	110.9	N147 K177 Y178	N147-Q175 WeakPolarHBondContact OD1-CA 3.44Å; N147-Q175 PolarHBondContact OD1-N 3.17Å; Q175-K177 HydrophobicContact CB-CD 4.44Å; Q175-K177 HydrophobicContact CB-CG 4.17Å; Q175-K177 PolarHBondContact O-N 3.28Å; Q175-Y178 HydrophobicContact CB-CD2 4.02Å; Q175-Y178 HydrophobicContact CB-CE2 4.1Å; Q175-Y178 WeakPolarHBondContact O-CD2 3.21Å; Q175-Y178 PolarHBondContact O-N 3.11Å
176	R	82.7	Confident	83.3	Confident	138 Å²	138	73 Å²	73	52%	0.521	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-51.8	-27.8	-175.1	-171.5	175.9	177.4	-159.3	-3	114	V174 Y178 F179	V174-R176 PolarHBondContact O-N 3.31Å; R176-Y178 PolarHBondContact O-N 3.4Å; R176-Y178 VanDerWaalsContact O-N 3.12Å; R176-F179 PolarHBondContact O-N 2.95Å
177	K	85.3	Confident	83.5	Confident	132 Å²	132	74.7 Å²	74.7	57%	0.574	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.4	-19.6	176	78	-170.8	-168.5	-162.9	0	115.1	Q175	Q175-K177 HydrophobicContact CB-CD 4.44Å; Q175-K177 HydrophobicContact CB-CG 4.17Å; Q175-K177 PolarHBondContact O-N 3.28Å
178	Y	85.9	Confident	84.1	Confident	95 Å²	95	68.2 Å²	68.2	37%	0.373	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-91.4	-15.4	176.5	-58.6	-59.9	0	0	0	113.1	V174 Q175 R176 N180 A214 A215 K218	V174-Y178 HydrophobicContact CG1-CD2 3.7Å; V174-Y178 HydrophobicContact CG1-CG 4.3Å; Q175-Y178 HydrophobicContact CB-CD2 4.02Å; Q175-Y178 HydrophobicContact CB-CE2 4.1Å; Q175-Y178 WeakPolarHBondContact O-CD2 3.21Å; Q175-Y178 PolarHBondContact O-N 3.11Å; R176-Y178 PolarHBondContact O-N 3.4Å; R176-Y178 VanDerWaalsContact O-N 3.12Å; Y178-N180 PolarHBondContact O-N 3.43Å; Y178-A214 CarbonylContact O-C 3.59Å; Y178-A214 WeakPolarHBondContact O-CB 3.5Å; Y178-A215 PolarHBondContact O-N 3.07Å; Y178-K218 HydrophobicContact CD1-CG 4Å; Y178-K218 HydrophobicContact CE1-CG 4.26Å
179	F	86.6	Confident	84.5	Confident	13 Å²	13	65.2 Å²	65.2	6%	0.057	31%	0.309	C	S	.	.			trans	-86.4	77.4	172.6	-68.6	-92	0	0	0	109.2	V95 I144 V174 R176 A211 A215	V95-F179 HydrophobicContact CG2-CD1 3.34Å; V95-F179 HydrophobicContact CG2-CE1 3.48Å; V95-F179 VanDerWaalsContact CG2-CE1 3.48Å; V95-F179 HydrophobicContact CG2-CG 4.48Å; I144-F179 HydrophobicContact CG2-CZ 4.19Å; V174-F179 HydrophobicContact CB-CE2 3.89Å; V174-F179 HydrophobicContact CB-CZ 4.41Å; V174-F179 HydrophobicContact CG1-CE2 3.93Å; V174-F179 WeakPolarHBondContact O-CE2 3.24Å; R176-F179 PolarHBondContact O-N 2.95Å; F179-A211 WeakPolarHBondContact CA-O 3.27Å; F179-A211 HydrophobicContact CB-CB 4.28Å; F179-A211 VanDerWaalsContact CD1-O 3.32Å; F179-A211 WeakPolarHBondContact CD1-O 3.34Å; F179-A215 HydrophobicContact CD1-CB 3.45Å; F179-A215 VanDerWaalsContact CD1-CB 3.45Å; F179-A215 HydrophobicContact CD2-CB 3.83Å; F179-A215 HydrophobicContact CE1-CB 3.37Å; F179-A215 HydrophobicContact CE2-CB 3.74Å; F179-A215 HydrophobicContact CG-CB 3.71Å; F179-A215 HydrophobicContact CZ-CB 3.54Å
180	N	87.7	Confident	84.7	Confident	51 Å²	51	69.4 Å²	69.4	27%	0.273	33%	0.327	S	S	.	.			trans	-128.9	127.9	-176	179.7	-3.3	0	0	0	110.4	Y178 T182 G184 A214	Y178-N180 PolarHBondContact O-N 3.43Å; N180-T182 PolarHBondContact OD1-N 2.66Å; N180-T182 VanDerWaalsContact OD1-N 3.09Å; N180-G184 PolarHBondContact O-N 3.19Å; N180-G184 VanDerWaalsContact O-N 3.11Å; N180-A214 WeakPolarHBondContact O-CB 3.39Å
181	E	84.1	Confident	84.7	Confident	76 Å²	76	65.4 Å²	65.4	36%	0.355	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-42.2	-179.3	70.5	-165.3	127.5	0	0	113.7	K183 G184 L185 Y207 L210	E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 2.76Å; E181-G184 WeakPolarHBondContact O-CA 3.47Å; E181-G184 PolarHBondContact O-N 3.16Å; E181-G184 VanDerWaalsContact O-N 3.1Å; E181-L185 PolarHBondContact O-N 2.95Å; E181-Y207 HydrophobicContact CB-CD2 4.12Å; E181-Y207 HydrophobicContact CB-CE2 4.29Å; E181-Y207 HydrophobicContact CG-CD2 4.24Å; E181-Y207 HydrophobicContact CG-CE2 4.25Å; E181-Y207 WeakPolarHBondContact OE1-CD2 3.48Å; E181-Y207 WeakPolarHBondContact OE1-CE2 3.3Å; E181-Y207 WeakPolarHBondContact OE2-CD2 3.43Å; E181-L210 HydrophobicContact CB-CB 4.03Å; E181-L210 HydrophobicContact CB-CD1 4.22Å
182	T	85.8	Confident	84.4	Confident	70 Å²	70	63 Å²	63	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-43.6	-173.6	80.4	0	0	0	0	110	N180 G184 L185 E186	N180-T182 PolarHBondContact OD1-N 2.66Å; N180-T182 VanDerWaalsContact OD1-N 3.09Å; T182-G184 VanDerWaalsContact C-N 3.32Å; T182-G184 PolarHBondContact O-N 2.87Å; T182-L185 PolarHBondContact O-N 2.98Å; T182-E186 WeakPolarHBondContact O-CB 3.41Å; T182-E186 WeakPolarHBondContact O-CG 3.37Å; T182-E186 PolarHBondContact O-N 2.84Å; T182-E186 PolarHBondContact OG1-OE1 3.49Å
183	K	86.5	Confident	84	Confident	104 Å²	104	61.3 Å²	61.3	45%	0.452	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-32.8	176.1	-62.4	-160.5	170.9	-161.3	0	112.4	E181 L185 Y187 A214	E181-K183 VanDerWaalsContact C-N 3.34Å; E181-K183 PolarHBondContact O-N 2.76Å; K183-L185 VanDerWaalsContact C-N 3.34Å; K183-Y187 HydrophobicContact CB-CE2 4.45Å; K183-Y187 WeakPolarHBondContact O-CB 3.44Å; K183-Y187 WeakPolarHBondContact O-CD2 3.24Å; K183-Y187 VanDerWaalsContact O-CG 3.31Å; K183-Y187 PolarHBondContact O-N 3.04Å; K183-A214 HydrophobicContact CB-CB 4.39Å
184	G	83.9	Confident	83.1	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-47.8	171.3	0	0	0	0	0	110.9	N180 E181 T182 Y187 I188 L210	N180-G184 PolarHBondContact O-N 3.19Å; N180-G184 VanDerWaalsContact O-N 3.11Å; E181-G184 WeakPolarHBondContact O-CA 3.47Å; E181-G184 PolarHBondContact O-N 3.16Å; E181-G184 VanDerWaalsContact O-N 3.1Å; T182-G184 VanDerWaalsContact C-N 3.32Å; T182-G184 PolarHBondContact O-N 2.87Å; G184-Y187 PolarHBondContact O-N 3.09Å; G184-I188 WeakPolarHBondContact O-CD1 3.46Å; G184-I188 WeakPolarHBondContact O-CG1 3.25Å; G184-I188 PolarHBondContact O-N 2.95Å; G184-L210 WeakPolarHBondContact CA-O 3.34Å
185	L	83.1	Confident	82	Confident	42 Å²	42	65.5 Å²	65.5	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-48.8	178.3	-172.2	148.7	0	0	0	111.7	E181 T182 K183 Y187 I188 E189 Q204 L210	E181-L185 PolarHBondContact O-N 2.95Å; T182-L185 PolarHBondContact O-N 2.98Å; K183-L185 VanDerWaalsContact C-N 3.34Å; L185-Y187 VanDerWaalsContact C-N 3.28Å; L185-Y187 PolarHBondContact O-N 3.15Å; L185-I188 PolarHBondContact O-N 2.87Å; L185-I188 VanDerWaalsContact O-N 3.07Å; L185-E189 HydrophobicContact CD2-CG 4.1Å; L185-E189 WeakPolarHBondContact CD2-OE1 3.28Å; L185-E189 WeakPolarHBondContact O-CG 3.47Å; L185-E189 PolarHBondContact O-N 3.1Å; L185-Q204 HydrophobicContact CD1-CG 3.81Å; L185-L210 HydrophobicContact CB-CD1 4.44Å; L185-L210 HydrophobicContact CB-CD2 4.16Å
186	E	86.4	Confident	80.9	Confident	81 Å²	81	63.3 Å²	63.3	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-51.4	-45.1	173.6	-70.6	157.5	-137.3	0	0	111.8	T182 Q190	T182-E186 WeakPolarHBondContact O-CB 3.41Å; T182-E186 WeakPolarHBondContact O-CG 3.37Å; T182-E186 PolarHBondContact O-N 2.84Å; T182-E186 PolarHBondContact OG1-OE1 3.49Å; E186-Q190 WeakPolarHBondContact O-CB 3.44Å; E186-Q190 VanDerWaalsContact O-CG 3.22Å; E186-Q190 WeakPolarHBondContact O-CG 3.32Å; E186-Q190 PolarHBondContact O-N 3Å; E186-Q190 VanDerWaalsContact O-N 3.16Å
187	Y	84.7	Confident	79.9	Confident	55 Å²	55	59.7 Å²	59.7	22%	0.216	30%	0.298	C	S	.	.	H	α-helix	trans	-69.9	-37.7	177.9	-76	-48.8	0	0	0	112.9	K183 G184 L185 Q190 L191 L217	K183-Y187 HydrophobicContact CB-CE2 4.45Å; K183-Y187 WeakPolarHBondContact O-CB 3.44Å; K183-Y187 WeakPolarHBondContact O-CD2 3.24Å; K183-Y187 VanDerWaalsContact O-CG 3.31Å; K183-Y187 PolarHBondContact O-N 3.04Å; G184-Y187 PolarHBondContact O-N 3.09Å; L185-Y187 VanDerWaalsContact C-N 3.28Å; L185-Y187 PolarHBondContact O-N 3.15Å; Y187-Q190 PolarHBondContact O-N 3.13Å; Y187-L191 VanDerWaalsContact O-CB 3.27Å; Y187-L191 WeakPolarHBondContact O-CB 3.44Å; Y187-L191 VanDerWaalsContact O-CG 3.27Å; Y187-L191 WeakPolarHBondContact O-CG 3.13Å; Y187-L191 PolarHBondContact O-N 3.01Å; Y187-L217 HydrophobicContact CD2-CB 4.47Å; Y187-L217 HydrophobicContact CD2-CD1 4.4Å; Y187-L217 HydrophobicContact CG-CD1 4.15Å
188	I	84.1	Confident	78.8	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-67.4	-43.8	177.1	-66.6	160.8	0	0	0	109.9	L119 G184 L185 Q190 L191 C192 L200 L210 I235	L119-I188 HydrophobicContact CD1-CD1 3.71Å; L119-I188 HydrophobicContact CD1-CG1 4.49Å; G184-I188 WeakPolarHBondContact O-CD1 3.46Å; G184-I188 WeakPolarHBondContact O-CG1 3.25Å; G184-I188 PolarHBondContact O-N 2.95Å; L185-I188 PolarHBondContact O-N 2.87Å; L185-I188 VanDerWaalsContact O-N 3.07Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3.39Å; I188-L191 PolarHBondContact O-N 3.17Å; I188-C192 HydrophobicContact CG2-CB 4.22Å; I188-C192 WeakPolarHBondContact O-CB 3.33Å; I188-C192 PolarHBondContact O-N 3.49Å; I188-L200 HydrophobicContact CB-CD2 4.25Å; I188-L200 HydrophobicContact CG2-CD2 3.62Å; I188-L200 HydrophobicContact CG2-CG 4.43Å; I188-L210 HydrophobicContact CD1-CD2 3.61Å; I188-I235 HydrophobicContact CB-CD1 4.31Å; I188-I235 HydrophobicContact CG1-CD1 4.14Å; I188-I235 HydrophobicContact CG1-CG2 4.46Å; I188-I235 HydrophobicContact CG2-CD1 4.1Å; I188-I235 HydrophobicContact CG2-CG2 4.26Å
189	E	82.8	Confident	77.8	Confident	103 Å²	103	53.1 Å²	53.1	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-36.1	176	-71.5	-175.6	157.9	0	0	113	L185 L200	L185-E189 HydrophobicContact CD2-CG 4.1Å; L185-E189 WeakPolarHBondContact CD2-OE1 3.28Å; L185-E189 WeakPolarHBondContact O-CG 3.47Å; L185-E189 PolarHBondContact O-N 3.1Å; E189-L200 HydrophobicContact CG-CD1 4.01Å; E189-L200 HydrophobicContact CG-CD2 3.67Å
190	Q	84.6	Confident	76.8	Confident	113 Å²	113	54 Å²	54	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-78.1	-33.6	179	-71.3	170.6	26.2	0	0	113.5	E186 Y187 I188 P230 K231	E186-Q190 WeakPolarHBondContact O-CB 3.44Å; E186-Q190 VanDerWaalsContact O-CG 3.22Å; E186-Q190 WeakPolarHBondContact O-CG 3.32Å; E186-Q190 PolarHBondContact O-N 3Å; E186-Q190 VanDerWaalsContact O-N 3.16Å; Y187-Q190 PolarHBondContact O-N 3.13Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3.39Å; Q190-P230 CarbonylContact O-C 3.56Å; Q190-P230 WeakPolarHBondContact O-CA 3.28Å; Q190-K231 PolarHBondContact O-N 3.32Å
191	L	82.1	Confident	75.7	Confident	18 Å²	18	58.8 Å²	58.8	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-103.6	-23	-170.5	-61.9	174.6	0	0	0	114.4	Y187 I188 L217 Y228 A229 K231 S232 L233 I235	Y187-L191 VanDerWaalsContact O-CB 3.27Å; Y187-L191 WeakPolarHBondContact O-CB 3.44Å; Y187-L191 VanDerWaalsContact O-CG 3.27Å; Y187-L191 WeakPolarHBondContact O-CG 3.13Å; Y187-L191 PolarHBondContact O-N 3.01Å; I188-L191 PolarHBondContact O-N 3.17Å; L191-L217 HydrophobicContact CD1-CD1 3.94Å; L191-L217 HydrophobicContact CD1-CD2 4.09Å; L191-Y228 WeakPolarHBondContact CD2-O 3.12Å; L191-A229 WeakPolarHBondContact CD2-O 3.41Å; L191-K231 CarbonylContact O-C 3.52Å; L191-K231 WeakPolarHBondContact O-CA 3.44Å; L191-S232 PolarHBondContact O-N 3.32Å; L191-L233 HydrophobicContact CB-CD1 4.1Å; L191-L233 HydrophobicContact CB-CG 4.5Å; L191-L233 HydrophobicContact CD1-CD1 4.14Å; L191-L233 PolarHBondContact O-N 3.16Å; L191-I235 HydrophobicContact CB-CD1 4.35Å
192	C	78	Confident	74.7	Confident	10 Å²	10	59.7 Å²	59.7	7%	0.068	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-71.2	138.4	-176.1	-167.7	0	0	0	0	112.7	I188 K231 I235	I188-C192 HydrophobicContact CG2-CB 4.22Å; I188-C192 WeakPolarHBondContact O-CB 3.33Å; I188-C192 PolarHBondContact O-N 3.49Å; C192-K231 WeakPolarHBondContact O-CA 3.45Å; C192-I235 HydrophobicContact CB-CB 4.41Å; C192-I235 HydrophobicContact CB-CD1 4.06Å; C192-I235 HydrophobicContact CB-CG1 4.29Å
193	I	76.4	Confident	74	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.041	29%	0.294	C	S	.	.			trans	-65.9	136.8	170.9	-63.6	159.3	0	0	0	109.9	E195 F196 K231 L233 K234 H542 Y545	I193-E195 VanDerWaalsContact C-N 3.27Å; I193-E195 PolarHBondContact O-N 3.24Å; I193-E195 VanDerWaalsContact O-N 3.1Å; I193-F196 HydrophobicContact CB-CD2 4.29Å; I193-F196 HydrophobicContact CG2-CD2 4.44Å; I193-F196 PolarHBondContact O-N 2.97Å; I193-K231 WeakPolarHBondContact CG1-O 3.27Å; I193-L233 WeakPolarHBondContact CG1-O 3.38Å; I193-L233 PolarHBondContact N-O 2.86Å; I193-L233 VanDerWaalsContact N-O 3.15Å; I193-K234 HydrophobicContact CD1-CB 4.39Å; I193-H542 HydrophobicContact CG2-CB 3.73Å; I193-Y545 HydrophobicContact CD1-CD2 3.71Å; I193-Y545 HydrophobicContact CD1-CE2 3.38Å; I193-Y545 HydrophobicContact CD1-CG 4.45Å
194	A	65.9	Low	73.3	Confident	72 Å²	72	56.9 Å²	56.9	60%	0.595	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-55	-33.9	-172.8	0	0	0	0	0	115.3	F196 S197	A194-F196 VanDerWaalsContact C-N 3.27Å; A194-F196 PolarHBondContact O-N 2.91Å; A194-S197 VanDerWaalsContact O-CB 3.25Å; A194-S197 WeakPolarHBondContact O-CB 3.41Å; A194-S197 PolarHBondContact O-N 3.29Å; A194-S197 PolarHBondContact O-OG 2.89Å
195	E	61.3	Low	72.4	Confident	88 Å²	88	61.3 Å²	61.3	41%	0.411	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.2	-20.1	177.6	-63.9	-171.2	-172.5	0	0	113.6	I193 R391 H542 K546	I193-E195 VanDerWaalsContact C-N 3.27Å; I193-E195 PolarHBondContact O-N 3.24Å; I193-E195 VanDerWaalsContact O-N 3.1Å; E195-R391 IonicContact OE1-CZ 2.77Å; E195-R391 IonicContact OE1-NH1 3.14Å; E195-R391 PolarHBondContact OE1-NH1 3.01Å; E195-R391 IonicContact OE1-NH2 2.68Å; E195-H542 IonicContact OE1-CD2 2.65Å; E195-H542 PolarHBondContact OE1-CD2 2.97Å; E195-H542 IonicContact OE1-CE1 2.69Å; E195-H542 IonicContact OE1-CG 3.09Å; E195-H542 IonicContact OE1-NE2 3.24Å; E195-H542 PolarHBondContact OE1-NE2 3.44Å; E195-H542 IonicContact OE2-CD2 2.75Å; E195-H542 PolarHBondContact OE2-CD2 2.82Å; E195-H542 IonicContact OE2-NE2 2.85Å; E195-K546 IonicContact OE1-NZ 3.94Å; E195-K546 VanDerWaalsContact OE2-CE 3.22Å; E195-K546 WeakPolarHBondContact OE2-CE 3.47Å; E195-K546 IonicContact OE2-NZ 2.71Å; E195-K546 PolarHBondContact OE2-NZ 3.24Å
196	F	60.1	Low	72	Confident	57 Å²	57	63.8 Å²	63.8	25%	0.25	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-98.4	10.4	174.1	-68	-84.2	0	0	0	112.7	I193 A194 S198 V199 K234	I193-F196 HydrophobicContact CB-CD2 4.29Å; I193-F196 HydrophobicContact CG2-CD2 4.44Å; I193-F196 PolarHBondContact O-N 2.97Å; A194-F196 VanDerWaalsContact C-N 3.27Å; A194-F196 PolarHBondContact O-N 2.91Å; F196-S198 PolarHBondContact O-N 3.5Å; F196-S198 VanDerWaalsContact O-N 3.15Å; F196-V199 WeakPolarHBondContact O-CB 3.33Å; F196-V199 VanDerWaalsContact O-CG2 3.28Å; F196-V199 WeakPolarHBondContact O-CG2 3.31Å; F196-V199 PolarHBondContact O-N 2.71Å; F196-V199 VanDerWaalsContact O-N 3.12Å; F196-K234 HydrophobicContact CE1-CG 4.43Å; F196-K234 HydrophobicContact CE2-CG 4.11Å; F196-K234 HydrophobicContact CZ-CD 4.33Å; F196-K234 HydrophobicContact CZ-CG 4.08Å
197	S	63.5	Low	71.8	Confident	62 Å²	62	63.8 Å²	63.8	43%	0.434	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.7	179.7	60.2	0	0	0	0	114.3	A194 V199 L200	A194-S197 VanDerWaalsContact O-CB 3.25Å; A194-S197 WeakPolarHBondContact O-CB 3.41Å; A194-S197 PolarHBondContact O-N 3.29Å; A194-S197 PolarHBondContact O-OG 2.89Å; S197-V199 PolarHBondContact O-N 3.04Å; S197-L200 VanDerWaalsContact O-CB 3.27Å; S197-L200 WeakPolarHBondContact O-CB 3.24Å; S197-L200 PolarHBondContact O-N 3.33Å
198	S	61.3	Low	71.8	Confident	77 Å²	77	63 Å²	63	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-54.7	-31.1	170.8	50.5	0	0	0	0	113.1	F196 L200 M201	F196-S198 PolarHBondContact O-N 3.5Å; F196-S198 VanDerWaalsContact O-N 3.15Å; S198-L200 PolarHBondContact O-N 2.68Å; S198-M201 WeakPolarHBondContact O-CB 3.43Å; S198-M201 PolarHBondContact O-N 2.86Å
199	V	65.4	Low	71.9	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-25.9	177.2	179.4	0	0	0	0	111.7	F196 S197 M201 E202 V203 F237	F196-V199 WeakPolarHBondContact O-CB 3.33Å; F196-V199 VanDerWaalsContact O-CG2 3.28Å; F196-V199 WeakPolarHBondContact O-CG2 3.31Å; F196-V199 PolarHBondContact O-N 2.71Å; F196-V199 VanDerWaalsContact O-N 3.12Å; S197-V199 PolarHBondContact O-N 3.04Å; V199-M201 VanDerWaalsContact C-N 3.33Å; V199-M201 PolarHBondContact O-N 3.29Å; V199-E202 PolarHBondContact O-N 3.07Å; V199-V203 HydrophobicContact CG1-CG2 3.74Å; V199-V203 VanDerWaalsContact O-CB 3.3Å; V199-V203 WeakPolarHBondContact O-CB 3.39Å; V199-V203 VanDerWaalsContact O-CG2 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.29Å; V199-V203 PolarHBondContact O-N 3.2Å; V199-F237 HydrophobicContact CG1-CB 4.23Å
200	L	65.6	Low	72	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-41	172.8	-68.1	166	0	0	0	111.5	I188 E189 S197 S198 E202 Q204	I188-L200 HydrophobicContact CB-CD2 4.25Å; I188-L200 HydrophobicContact CG2-CD2 3.62Å; I188-L200 HydrophobicContact CG2-CG 4.43Å; E189-L200 HydrophobicContact CG-CD1 4.01Å; E189-L200 HydrophobicContact CG-CD2 3.67Å; S197-L200 VanDerWaalsContact O-CB 3.27Å; S197-L200 WeakPolarHBondContact O-CB 3.24Å; S197-L200 PolarHBondContact O-N 3.33Å; S198-L200 PolarHBondContact O-N 2.68Å; L200-E202 PolarHBondContact O-N 2.71Å; L200-Q204 VanDerWaalsContact O-CB 3.22Å; L200-Q204 WeakPolarHBondContact O-CB 3.36Å; L200-Q204 WeakPolarHBondContact O-CG 3.48Å; L200-Q204 PolarHBondContact O-N 3.42Å
201	M	63.9	Low	72.2	Confident	153 Å²	153	52.8 Å²	52.8	75%	0.754	28%	0.281	S	S	*	.	H	α-helix	trans	-68	-36.1	-179.6	-59.7	-175.2	71.2	0	0	112.1	S198 V199	S198-M201 WeakPolarHBondContact O-CB 3.43Å; S198-M201 PolarHBondContact O-N 2.86Å; V199-M201 VanDerWaalsContact C-N 3.33Å; V199-M201 PolarHBondContact O-N 3.29Å
202	E	64	Low	72.6	Confident	95 Å²	95	52 Å²	52	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-73.8	-41.6	178	-175.8	173.2	-157	0	0	112.1	V199 L200 S205 R206 F237	V199-E202 PolarHBondContact O-N 3.07Å; L200-E202 PolarHBondContact O-N 2.71Å; E202-S205 PolarHBondContact O-OG 3.26Å; E202-R206 WeakPolarHBondContact O-CG 3.4Å; E202-F237 VanDerWaalsContact CD-CD1 3.42Å; E202-F237 HydrophobicContact CG-CD1 4.11Å; E202-F237 HydrophobicContact CG-CG 4.37Å; E202-F237 WeakPolarHBondContact OE1-CD1 3.28Å; E202-F237 WeakPolarHBondContact OE2-CB 3.32Å
203	V	71.4	Confident	73.2	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-87.9	-16.7	-173.3	-176.6	0	0	0	0	112.8	L119 V199 S205 R206 L210 F237	L119-V203 HydrophobicContact CD1-CG1 4.24Å; L119-V203 HydrophobicContact CD1-CG2 4.26Å; V199-V203 HydrophobicContact CG1-CG2 3.74Å; V199-V203 VanDerWaalsContact O-CB 3.3Å; V199-V203 WeakPolarHBondContact O-CB 3.39Å; V199-V203 VanDerWaalsContact O-CG2 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.29Å; V199-V203 PolarHBondContact O-N 3.2Å; V203-S205 PolarHBondContact O-N 3.41Å; V203-R206 HydrophobicContact CG1-CB 4.32Å; V203-R206 WeakPolarHBondContact O-CB 3.38Å; V203-R206 PolarHBondContact O-N 2.8Å; V203-L210 HydrophobicContact CG1-CD2 3.54Å; V203-L210 HydrophobicContact CG1-CG 3.79Å; V203-F237 HydrophobicContact CG2-CB 3.94Å; V203-F237 HydrophobicContact CG2-CD2 3.75Å; V203-F237 HydrophobicContact CG2-CG 4.13Å
204	Q	70.2	Confident	73.9	Confident	111 Å²	111	51.2 Å²	51.2	52%	0.519	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.8	174.2	-96.7	166.3	13.1	0	0	114.2	L185 L200	L185-Q204 HydrophobicContact CD1-CG 3.81Å; L200-Q204 VanDerWaalsContact O-CB 3.22Å; L200-Q204 WeakPolarHBondContact O-CB 3.36Å; L200-Q204 WeakPolarHBondContact O-CG 3.48Å; L200-Q204 PolarHBondContact O-N 3.42Å
205	S	65.4	Low	75	Confident	92 Å²	92	47.8 Å²	47.8	64%	0.643	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	2.9	177.1	65.9	0	0	0	0	114.5	E202 V203	E202-S205 PolarHBondContact O-OG 3.26Å; V203-S205 PolarHBondContact O-N 3.41Å
206	R	75.6	Confident	76.4	Confident	94 Å²	94	43.6 Å²	43.6	36%	0.355	23%	0.225	S	C	.	.			trans	-115.1	68	-164.6	-56.4	-58.6	-168.7	169.3	5.7	112.5	Q121 E202 V203 Y208 C209 L210	Q121-R206 HydrophobicContact CB-CB 4.48Å; Q121-R206 PolarHBondContact OE1-O 3.11Å; E202-R206 WeakPolarHBondContact O-CG 3.4Å; V203-R206 HydrophobicContact CG1-CB 4.32Å; V203-R206 WeakPolarHBondContact O-CB 3.38Å; V203-R206 PolarHBondContact O-N 2.8Å; R206-Y208 VanDerWaalsContact C-N 3.31Å; R206-Y208 PolarHBondContact O-N 3.4Å; R206-Y208 VanDerWaalsContact O-N 3.16Å; R206-C209 HydrophobicContact CB-CB 4.43Å; R206-C209 PolarHBondContact O-N 3.49Å; R206-L210 PolarHBondContact O-N 2.9Å
207	Y	82.3	Confident	77.8	Confident	82 Å²	82	41.4 Å²	41.4	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-40.4	-52.3	-179.1	177.9	-76.6	0	0	0	113.7	E181 C209 L210 A211	E181-Y207 HydrophobicContact CB-CD2 4.12Å; E181-Y207 HydrophobicContact CB-CE2 4.29Å; E181-Y207 HydrophobicContact CG-CD2 4.24Å; E181-Y207 HydrophobicContact CG-CE2 4.25Å; E181-Y207 WeakPolarHBondContact OE1-CD2 3.48Å; E181-Y207 WeakPolarHBondContact OE1-CE2 3.3Å; E181-Y207 WeakPolarHBondContact OE2-CD2 3.43Å; Y207-C209 VanDerWaalsContact C-N 3.34Å; Y207-C209 PolarHBondContact O-N 3.31Å; Y207-L210 PolarHBondContact O-N 3.36Å; Y207-A211 HydrophobicContact CD1-CB 4.49Å; Y207-A211 HydrophobicContact CE1-CB 4.12Å; Y207-A211 WeakPolarHBondContact O-CB 3.45Å; Y207-A211 PolarHBondContact O-N 3.32Å
208	Y	83.1	Confident	78.9	Confident	38 Å²	38	41.5 Å²	41.5	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-71.7	-32.1	-168.7	-63.9	-61.7	0	0	0	112	V95 A101 E104 Q121 R206 A212	V95-Y208 HydrophobicContact CG1-CD1 3.83Å; A101-Y208 HydrophobicContact CB-CE2 3.78Å; E104-Y208 HydrophobicContact CB-CD2 4.13Å; E104-Y208 HydrophobicContact CB-CE2 4.27Å; Q121-Y208 VanDerWaalsContact OE1-N 3.11Å; R206-Y208 VanDerWaalsContact C-N 3.31Å; R206-Y208 PolarHBondContact O-N 3.4Å; R206-Y208 VanDerWaalsContact O-N 3.16Å; Y208-A212 WeakPolarHBondContact O-CB 3.5Å; Y208-A212 PolarHBondContact O-N 2.85Å
209	C	86.5	Confident	80.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.2	-44.5	174.8	-165.2	0	0	0	0	112.2	M107 L119 S120 Q121 R206 Y207 A211 A212 A213	M107-C209 PolarHBondContact O-SG 2.96Å; L119-C209 VanDerWaalsContact CA-SG 3.58Å; L119-C209 WeakPolarHBondContact CB-SG 3.26Å; S120-C209 PolarHBondContact N-SG 2.96Å; S120-C209 PolarHBondContact O-SG 3.21Å; S120-C209 VanDerWaalsContact O-SG 3.42Å; Q121-C209 HydrophobicContact CB-CB 4.15Å; R206-C209 HydrophobicContact CB-CB 4.43Å; R206-C209 PolarHBondContact O-N 3.49Å; Y207-C209 VanDerWaalsContact C-N 3.34Å; Y207-C209 PolarHBondContact O-N 3.31Å; C209-A211 VanDerWaalsContact C-N 3.31Å; C209-A211 PolarHBondContact O-N 3.05Å; C209-A212 WeakPolarHBondContact O-CB 3.47Å; C209-A212 PolarHBondContact O-N 3.36Å; C209-A212 VanDerWaalsContact O-N 3.16Å; C209-A213 PolarHBondContact O-N 2.98Å
210	L	86.3	Confident	81	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-45	173.8	-69.3	174.3	0	0	0	111.6	E181 G184 L185 I188 V203 R206 Y207 A212 A213 A214	E181-L210 HydrophobicContact CB-CB 4.03Å; E181-L210 HydrophobicContact CB-CD1 4.22Å; G184-L210 WeakPolarHBondContact CA-O 3.34Å; L185-L210 HydrophobicContact CB-CD1 4.44Å; L185-L210 HydrophobicContact CB-CD2 4.16Å; I188-L210 HydrophobicContact CD1-CD2 3.61Å; V203-L210 HydrophobicContact CG1-CD2 3.54Å; V203-L210 HydrophobicContact CG1-CG 3.79Å; R206-L210 PolarHBondContact O-N 2.9Å; Y207-L210 PolarHBondContact O-N 3.36Å; L210-A212 VanDerWaalsContact C-N 3.35Å; L210-A212 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.47Å; L210-A214 PolarHBondContact O-N 3.37Å
211	A	87.9	Confident	81.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-37.9	176.9	0	0	0	0	0	112.6	F179 Y207 C209 A215	F179-A211 WeakPolarHBondContact CA-O 3.27Å; F179-A211 HydrophobicContact CB-CB 4.28Å; F179-A211 VanDerWaalsContact CD1-O 3.32Å; F179-A211 WeakPolarHBondContact CD1-O 3.34Å; Y207-A211 HydrophobicContact CD1-CB 4.49Å; Y207-A211 HydrophobicContact CE1-CB 4.12Å; Y207-A211 WeakPolarHBondContact O-CB 3.45Å; Y207-A211 PolarHBondContact O-N 3.32Å; C209-A211 VanDerWaalsContact C-N 3.31Å; C209-A211 PolarHBondContact O-N 3.05Å; A211-A215 PolarHBondContact O-N 3.42Å
212	A	90.4	Very high	82.7	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-45.4	173.5	0	0	0	0	0	111.7	A93 V95 A108 Y208 C209 L210 A214 A215 L216	A93-A212 HydrophobicContact CB-CB 4.22Å; A93-A212 WeakPolarHBondContact CB-O 3.32Å; V95-A212 HydrophobicContact CG2-CB 3.82Å; A108-A212 HydrophobicContact CB-CB 3.85Å; Y208-A212 WeakPolarHBondContact O-CB 3.5Å; Y208-A212 PolarHBondContact O-N 2.85Å; C209-A212 WeakPolarHBondContact O-CB 3.47Å; C209-A212 PolarHBondContact O-N 3.36Å; C209-A212 VanDerWaalsContact O-N 3.16Å; L210-A212 VanDerWaalsContact C-N 3.35Å; L210-A212 PolarHBondContact O-N 3.44Å; A212-A214 PolarHBondContact O-N 2.94Å; A212-A215 PolarHBondContact O-N 3.35Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.22Å
213	A	90.8	Very high	83.3	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-42.4	179.6	0	0	0	0	0	112.6	A108 L119 C209 L210 A215 L216 L217	A108-A213 HydrophobicContact CB-CB 4.01Å; L119-A213 HydrophobicContact CD2-CB 3.78Å; C209-A213 PolarHBondContact O-N 2.98Å; L210-A213 PolarHBondContact O-N 3.47Å; A213-A215 PolarHBondContact O-N 3.15Å; A213-L216 PolarHBondContact O-N 3.23Å; A213-L217 WeakPolarHBondContact O-CB 3.45Å; A213-L217 PolarHBondContact O-N 3.2Å
214	A	90.5	Very high	83.2	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-44.4	176.6	0	0	0	0	0	112.6	Y178 N180 K183 L210 A212 K218	Y178-A214 CarbonylContact O-C 3.59Å; Y178-A214 WeakPolarHBondContact O-CB 3.5Å; N180-A214 WeakPolarHBondContact O-CB 3.39Å; K183-A214 HydrophobicContact CB-CB 4.39Å; L210-A214 PolarHBondContact O-N 3.37Å; A212-A214 PolarHBondContact O-N 2.94Å; A214-K218 VanDerWaalsContact O-CB 3.31Å; A214-K218 WeakPolarHBondContact O-CB 3.5Å; A214-K218 PolarHBondContact O-N 3.1Å
215	A	90.3	Very high	83.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-41.7	178.1	0	0	0	0	0	111.9	V174 Y178 F179 A211 A212 A213 Y219	V174-A215 HydrophobicContact CG1-CB 4.42Å; Y178-A215 PolarHBondContact O-N 3.07Å; F179-A215 HydrophobicContact CD1-CB 3.45Å; F179-A215 VanDerWaalsContact CD1-CB 3.45Å; F179-A215 HydrophobicContact CD2-CB 3.83Å; F179-A215 HydrophobicContact CE1-CB 3.37Å; F179-A215 HydrophobicContact CE2-CB 3.74Å; F179-A215 HydrophobicContact CG-CB 3.71Å; F179-A215 HydrophobicContact CZ-CB 3.54Å; A211-A215 PolarHBondContact O-N 3.42Å; A212-A215 PolarHBondContact O-N 3.35Å; A213-A215 PolarHBondContact O-N 3.15Å; A215-Y219 WeakPolarHBondContact O-CB 3.29Å; A215-Y219 PolarHBondContact O-N 2.75Å
216	L	90.6	Very high	83.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-52.5	177.9	-177	64.7	0	0	0	112.1	I91 A93 A108 I110 I144 A212 A213 Y219 V220	I91-L216 HydrophobicContact CB-CD1 4.14Å; I91-L216 HydrophobicContact CG2-CD1 3.7Å; A93-L216 HydrophobicContact CB-CB 3.87Å; A93-L216 HydrophobicContact CB-CD1 4.31Å; A108-L216 HydrophobicContact CB-CD2 3.89Å; I110-L216 HydrophobicContact CB-CD2 3.95Å; I110-L216 HydrophobicContact CB-CG 4.48Å; I110-L216 HydrophobicContact CG2-CD1 3.87Å; I110-L216 HydrophobicContact CG2-CD2 3.84Å; I110-L216 HydrophobicContact CG2-CG 3.87Å; I144-L216 HydrophobicContact CD1-CD1 3.69Å; A212-L216 WeakPolarHBondContact O-CB 3.41Å; A212-L216 PolarHBondContact O-N 3.22Å; A213-L216 PolarHBondContact O-N 3.23Å; L216-Y219 WeakPolarHBondContact O-CB 3.19Å; L216-Y219 PolarHBondContact O-N 3.11Å; L216-V220 WeakPolarHBondContact O-CG2 3.48Å; L216-V220 PolarHBondContact O-N 3.36Å
217	L	88.2	Confident	83.9	Confident	11 Å²	11	35.1 Å²	35.1	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-46.2	-179.7	-78.6	172.6	0	0	0	111.5	I110 I117 Y187 L191 A213 Y219 V220 E221 Y228	I110-L217 HydrophobicContact CD1-CD2 4.49Å; I117-L217 HydrophobicContact CD1-CD1 4.22Å; I117-L217 HydrophobicContact CD1-CD2 3.7Å; I117-L217 HydrophobicContact CD1-CG 4.15Å; Y187-L217 HydrophobicContact CD2-CB 4.47Å; Y187-L217 HydrophobicContact CD2-CD1 4.4Å; Y187-L217 HydrophobicContact CG-CD1 4.15Å; L191-L217 HydrophobicContact CD1-CD1 3.94Å; L191-L217 HydrophobicContact CD1-CD2 4.09Å; A213-L217 WeakPolarHBondContact O-CB 3.45Å; A213-L217 PolarHBondContact O-N 3.2Å; L217-Y219 PolarHBondContact O-N 3.1Å; L217-V220 PolarHBondContact O-N 3.4Å; L217-E221 VanDerWaalsContact O-CB 3.26Å; L217-E221 WeakPolarHBondContact O-CB 3.42Å; L217-E221 PolarHBondContact O-N 3.49Å; L217-Y228 HydrophobicContact CD2-CD2 4.36Å
218	K	86.9	Confident	83.8	Confident	64 Å²	64	31.7 Å²	31.7	28%	0.278	15%	0.153	S	C	.	.	H	α-helix	trans	-64.4	-28.2	177.9	-165.8	69.2	-137.4	172.8	0	112.7	Y178 A214 E221 F222	Y178-K218 HydrophobicContact CD1-CG 4Å; Y178-K218 HydrophobicContact CE1-CG 4.26Å; A214-K218 VanDerWaalsContact O-CB 3.31Å; A214-K218 WeakPolarHBondContact O-CB 3.5Å; A214-K218 PolarHBondContact O-N 3.1Å; K218-E221 WeakPolarHBondContact CE-OE2 3.27Å; K218-E221 IonicContact NZ-OE1 2.64Å; K218-E221 PolarHBondContact NZ-OE1 3.42Å; K218-E221 IonicContact NZ-OE2 2.67Å; K218-E221 PolarHBondContact NZ-OE2 3.08Å; K218-F222 PolarHBondContact O-N 3.15Å
219	Y	86.8	Confident	83.5	Confident	21 Å²	21	29.9 Å²	29.9	8%	0.082	15%	0.146	C	C	.	.	H	α-helix	trans	-73.1	-48.8	175	-174.9	-99.7	0	0	0	112.3	I91 E142 I144 T172 V174 A215 L216 L217 E221 F222 I223	I91-Y219 HydrophobicContact CG2-CD1 4.46Å; E142-Y219 PolarHBondContact OE1-OH 3.24Å; E142-Y219 WeakPolarHBondContact OE2-CE1 3.49Å; E142-Y219 PolarHBondContact OE2-OH 3.03Å; I144-Y219 HydrophobicContact CD1-CD1 3.32Å; I144-Y219 HydrophobicContact CD1-CD2 4.38Å; I144-Y219 HydrophobicContact CD1-CE1 3.95Å; I144-Y219 HydrophobicContact CD1-CG 3.56Å; I144-Y219 HydrophobicContact CG1-CD1 3.97Å; I144-Y219 HydrophobicContact CG1-CE1 4.1Å; I144-Y219 HydrophobicContact CG1-CG 4.24Å; T172-Y219 WeakPolarHBondContact CB-OH 3.2Å; T172-Y219 HydrophobicContact CG2-CE2 3.51Å; T172-Y219 WeakPolarHBondContact CG2-OH 3.34Å; T172-Y219 PolarHBondContact OG1-OH 3.03Å; V174-Y219 HydrophobicContact CG2-CD2 3.65Å; V174-Y219 HydrophobicContact CG2-CE2 4.14Å; V174-Y219 HydrophobicContact CG2-CG 4.48Å; A215-Y219 WeakPolarHBondContact O-CB 3.29Å; A215-Y219 PolarHBondContact O-N 2.75Å; L216-Y219 WeakPolarHBondContact O-CB 3.19Å; L216-Y219 PolarHBondContact O-N 3.11Å; L217-Y219 PolarHBondContact O-N 3.1Å; Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 PolarHBondContact O-N 3.42Å; Y219-F222 PolarHBondContact O-N 2.72Å; Y219-I223 HydrophobicContact CD1-CG1 4.05Å; Y219-I223 HydrophobicContact CD2-CG1 4.1Å; Y219-I223 HydrophobicContact CE1-CB 4.47Å; Y219-I223 HydrophobicContact CE1-CD1 4.29Å; Y219-I223 HydrophobicContact CE1-CG1 3.72Å; Y219-I223 HydrophobicContact CE2-CD1 3.89Å; Y219-I223 HydrophobicContact CE2-CG1 3.72Å; Y219-I223 HydrophobicContact CG-CG1 4.26Å; Y219-I223 WeakPolarHBondContact O-CG1 3.31Å; Y219-I223 PolarHBondContact O-N 2.86Å
220	V	84.4	Confident	83.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-43.5	174	174.6	0	0	0	0	110.6	I91 I110 L216 L217 F222 I223 Q224 Y228	I91-V220 HydrophobicContact CD1-CG2 4.39Å; I110-V220 HydrophobicContact CG2-CG2 3.97Å; L216-V220 WeakPolarHBondContact O-CG2 3.48Å; L216-V220 PolarHBondContact O-N 3.36Å; L217-V220 PolarHBondContact O-N 3.4Å; V220-F222 PolarHBondContact O-N 2.82Å; V220-F222 VanDerWaalsContact O-N 3.12Å; V220-I223 PolarHBondContact O-N 3.37Å; V220-Q224 HydrophobicContact CG1-CB 4.19Å; V220-Q224 HydrophobicContact CG1-CG 4.03Å; V220-Q224 WeakPolarHBondContact O-CB 3.27Å; V220-Q224 PolarHBondContact O-N 2.82Å; V220-Y228 HydrophobicContact CG1-CE2 3.92Å
221	E	83.6	Confident	82.7	Confident	41 Å²	41	41.1 Å²	41.1	19%	0.192	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-18.4	178.3	-160.2	-132.4	106.2	0	0	113.8	L217 K218 Y219 S226 V227 K341	L217-E221 VanDerWaalsContact O-CB 3.26Å; L217-E221 WeakPolarHBondContact O-CB 3.42Å; L217-E221 PolarHBondContact O-N 3.49Å; K218-E221 WeakPolarHBondContact CE-OE2 3.27Å; K218-E221 IonicContact NZ-OE1 2.64Å; K218-E221 PolarHBondContact NZ-OE1 3.42Å; K218-E221 IonicContact NZ-OE2 2.67Å; K218-E221 PolarHBondContact NZ-OE2 3.08Å; Y219-E221 VanDerWaalsContact C-N 3.28Å; Y219-E221 PolarHBondContact O-N 3.42Å; E221-S226 WeakPolarHBondContact CA-O 3.24Å; E221-V227 HydrophobicContact CG-CG2 4.15Å; E221-K341 PolarHBondContact O-NZ 2.97Å; E221-K341 IonicContact OE1-NZ 3.57Å; E221-K341 PolarHBondContact OE1-NZ 3.08Å
222	F	81.9	Confident	82.3	Confident	163 Å²	163	41 Å²	41	72%	0.715	20%	0.204	S	C	*	.	H	α-helix	trans	-99	-43.5	176.7	-173.6	-98.6	0	0	0	112.8	K218 Y219 V220	K218-F222 PolarHBondContact O-N 3.15Å; Y219-F222 PolarHBondContact O-N 2.72Å; V220-F222 PolarHBondContact O-N 2.82Å; V220-F222 VanDerWaalsContact O-N 3.12Å
223	I	76.4	Confident	81.9	Confident	83 Å²	83	41 Å²	41	43%	0.426	20%	0.204	S	C	.	.	H	α-helix	trans	-81	-47.8	-174.8	-64.8	-89	0	0	0	111.9	Y219 V220 N225	Y219-I223 HydrophobicContact CD1-CG1 4.05Å; Y219-I223 HydrophobicContact CD2-CG1 4.1Å; Y219-I223 HydrophobicContact CE1-CB 4.47Å; Y219-I223 HydrophobicContact CE1-CD1 4.29Å; Y219-I223 HydrophobicContact CE1-CG1 3.72Å; Y219-I223 HydrophobicContact CE2-CD1 3.89Å; Y219-I223 HydrophobicContact CE2-CG1 3.72Å; Y219-I223 HydrophobicContact CG-CG1 4.26Å; Y219-I223 WeakPolarHBondContact O-CG1 3.31Å; Y219-I223 PolarHBondContact O-N 2.86Å; V220-I223 PolarHBondContact O-N 3.37Å; I223-N225 VanDerWaalsContact C-N 3.27Å; I223-N225 PolarHBondContact O-N 2.58Å
224	Q	68.9	Low	81.3	Confident	87 Å²	87	42 Å²	42	41%	0.407	21%	0.207	S	C	.	.	S	Bend	trans	-83.3	-6	-179.1	-61.8	-63.9	-24.8	0	0	112.4	L112 V220 S226	L112-Q224 HydrophobicContact CD2-CG 4.18Å; V220-Q224 HydrophobicContact CG1-CB 4.19Å; V220-Q224 HydrophobicContact CG1-CG 4.03Å; V220-Q224 WeakPolarHBondContact O-CB 3.27Å; V220-Q224 PolarHBondContact O-N 2.82Å; Q224-S226 WeakPolarHBondContact CB-OG 3.46Å; Q224-S226 PolarHBondContact O-N 3.21Å; Q224-S226 VanDerWaalsContact O-N 3.12Å
225	N	75.1	Confident	81	Confident	62 Å²	62	41.9 Å²	41.9	33%	0.332	21%	0.206	S	C	.	.			trans	48.2	37.9	-176.4	-162.2	32.9	0	0	0	113	I223 K341	I223-N225 VanDerWaalsContact C-N 3.27Å; I223-N225 PolarHBondContact O-N 2.58Å; N225-K341 VanDerWaalsContact O-CB 3.23Å; N225-K341 WeakPolarHBondContact O-CB 3.15Å; N225-K341 WeakPolarHBondContact O-CG 3.49Å; N225-K341 PolarHBondContact O-N 3.38Å; N225-K341 VanDerWaalsContact OD1-CD 3.27Å; N225-K341 WeakPolarHBondContact OD1-CD 3.13Å
226	S	70.8	Confident	80.4	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	163.5	-177	60.3	0	0	0	0	110.9	E221 Q224 I339	E221-S226 WeakPolarHBondContact CA-O 3.24Å; Q224-S226 WeakPolarHBondContact CB-OG 3.46Å; Q224-S226 PolarHBondContact O-N 3.21Å; Q224-S226 VanDerWaalsContact O-N 3.12Å; S226-I339 CarbonylContact C-O 3.56Å; S226-I339 VanDerWaalsContact CA-O 3.26Å; S226-I339 WeakPolarHBondContact CA-O 3.46Å; S226-I339 WeakPolarHBondContact CB-O 3.26Å
227	V	80.1	Confident	79.7	Confident	65 Å²	65	46 Å²	46	39%	0.394	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.7	175.3	-168.2	0	0	0	0	107	E221 I339 K341	E221-V227 HydrophobicContact CG-CG2 4.15Å; V227-I339 PolarHBondContact N-O 2.96Å; V227-I339 WeakPolarHBondContact O-CA 3.4Å; V227-I339 WeakPolarHBondContact O-CB 3.45Å; V227-I339 PolarHBondContact O-N 3.17Å; V227-K341 HydrophobicContact CG2-CD 4.3Å; V227-K341 VanDerWaalsContact CG2-CE 3.44Å; V227-K341 HydrophobicContact CG2-CG 3.97Å
228	Y	81.1	Confident	78.8	Confident	11 Å²	11	47.9 Å²	47.9	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	145.8	172.9	-62.1	-81.2	0	0	0	110	I110 L191 L217 V220 L233 V337 Q338	I110-Y228 HydrophobicContact CD1-CD2 4.42Å; I110-Y228 HydrophobicContact CD1-CE1 4.46Å; I110-Y228 HydrophobicContact CD1-CE2 3.48Å; I110-Y228 VanDerWaalsContact CD1-CE2 3.48Å; I110-Y228 VanDerWaalsContact CD1-OH 3.32Å; I110-Y228 WeakPolarHBondContact CD1-OH 3.49Å; L191-Y228 WeakPolarHBondContact CD2-O 3.12Å; L217-Y228 HydrophobicContact CD2-CD2 4.36Å; V220-Y228 HydrophobicContact CG1-CE2 3.92Å; Y228-L233 HydrophobicContact CD1-CD1 4.41Å; Y228-L233 HydrophobicContact CD1-CD2 3.69Å; Y228-L233 HydrophobicContact CD1-CG 4.43Å; Y228-L233 HydrophobicContact CD2-CD1 4.04Å; Y228-L233 HydrophobicContact CE1-CD2 4.21Å; Y228-L233 HydrophobicContact CG-CD1 3.85Å; Y228-L233 HydrophobicContact CG-CD2 3.94Å; Y228-L233 HydrophobicContact CG-CG 4.2Å; Y228-V337 HydrophobicContact CD1-CG1 4.1Å; Y228-Q338 HydrophobicContact CD1-CG 3.83Å; Y228-Q338 HydrophobicContact CE1-CG 3.33Å
229	A	75.6	Confident	77.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-59.3	152	177.8	0	0	0	0	0	111.8	L191 S232 V337 I339 Y538	L191-A229 WeakPolarHBondContact CD2-O 3.41Å; A229-S232 WeakPolarHBondContact O-CB 3.32Å; A229-S232 PolarHBondContact O-OG 3.25Å; A229-V337 PolarHBondContact N-O 2.97Å; A229-I339 HydrophobicContact CB-CD1 3.93Å; A229-I339 HydrophobicContact CB-CG1 4.43Å; A229-Y538 HydrophobicContact CB-CD2 4.04Å; A229-Y538 HydrophobicContact CB-CE2 3.96Å; A229-Y538 HydrophobicContact CB-CG 4.49Å
230	P	77.9	Confident	76.1	Confident	95 Å²	95	47.8 Å²	47.8	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	147.7	172.7	27.3	-34.6	0	0	0	111.2	Q190 S232	Q190-P230 CarbonylContact O-C 3.56Å; Q190-P230 WeakPolarHBondContact O-CA 3.28Å; P230-S232 PolarHBondContact O-N 3.33Å; P230-S232 VanDerWaalsContact O-N 3.11Å
231	K	79.4	Confident	74.7	Confident	145 Å²	145	56.4 Å²	56.4	63%	0.63	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	27.5	178.2	-56.6	-178.3	179.9	178.5	0	116	Q190 L191 C192 I193	Q190-K231 PolarHBondContact O-N 3.32Å; L191-K231 CarbonylContact O-C 3.52Å; L191-K231 WeakPolarHBondContact O-CA 3.44Å; C192-K231 WeakPolarHBondContact O-CA 3.45Å; I193-K231 WeakPolarHBondContact CG1-O 3.27Å
232	S	79	Confident	73.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.31	C	S	.	.			trans	-114.5	-14.9	-165.9	71.4	0	0	0	0	115.5	L191 A229 P230 V337 Y545	L191-S232 PolarHBondContact O-N 3.32Å; A229-S232 WeakPolarHBondContact O-CB 3.32Å; A229-S232 PolarHBondContact O-OG 3.25Å; P230-S232 PolarHBondContact O-N 3.33Å; P230-S232 VanDerWaalsContact O-N 3.11Å; S232-V337 WeakPolarHBondContact OG-CG1 3.43Å; S232-Y545 WeakPolarHBondContact O-CE2 3.45Å; S232-Y545 PolarHBondContact O-OH 3.46Å
233	L	81.1	Confident	73.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-95.5	138.4	-175.7	-70.2	-177.9	0	0	0	112.4	P115 I117 L191 I193 Y228 I235 V337	P115-L233 HydrophobicContact CB-CD2 3.78Å; P115-L233 WeakPolarHBondContact O-CD2 3.47Å; I117-L233 HydrophobicContact CD1-CD1 3.67Å; I117-L233 HydrophobicContact CG1-CD1 4.24Å; L191-L233 HydrophobicContact CB-CD1 4.1Å; L191-L233 HydrophobicContact CB-CG 4.5Å; L191-L233 HydrophobicContact CD1-CD1 4.14Å; L191-L233 PolarHBondContact O-N 3.16Å; I193-L233 WeakPolarHBondContact CG1-O 3.38Å; I193-L233 PolarHBondContact N-O 2.86Å; I193-L233 VanDerWaalsContact N-O 3.15Å; Y228-L233 HydrophobicContact CD1-CD1 4.41Å; Y228-L233 HydrophobicContact CD1-CD2 3.69Å; Y228-L233 HydrophobicContact CD1-CG 4.43Å; Y228-L233 HydrophobicContact CD2-CD1 4.04Å; Y228-L233 HydrophobicContact CE1-CD2 4.21Å; Y228-L233 HydrophobicContact CG-CD1 3.85Å; Y228-L233 HydrophobicContact CG-CD2 3.94Å; Y228-L233 HydrophobicContact CG-CG 4.2Å; L233-I235 HydrophobicContact CB-CD1 4.38Å; L233-I235 HydrophobicContact CB-CG1 3.94Å; L233-I235 PolarHBondContact O-N 2.88Å; L233-I235 VanDerWaalsContact O-N 3.15Å; L233-V337 HydrophobicContact CD2-CG1 4.06Å
234	K	79.7	Confident	73.6	Confident	20 Å²	20	51.8 Å²	51.8	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	89.7	168.1	-179.5	179	172.6	-175.7	0	109.2	P115 Q116 I117 I193 F196 Y236 Y545 D549	P115-K234 PolarHBondContact O-N 3.38Å; P115-K234 VanDerWaalsContact O-N 3.14Å; Q116-K234 CarbonylContact C-O 3.6Å; Q116-K234 WeakPolarHBondContact CA-O 3.27Å; Q116-K234 HydrophobicContact CB-CB 4.25Å; I117-K234 PolarHBondContact N-O 3.19Å; I193-K234 HydrophobicContact CD1-CB 4.39Å; F196-K234 HydrophobicContact CE1-CG 4.43Å; F196-K234 HydrophobicContact CE2-CG 4.11Å; F196-K234 HydrophobicContact CZ-CD 4.33Å; F196-K234 HydrophobicContact CZ-CG 4.08Å; K234-Y236 HydrophobicContact CG-CD1 4.37Å; K234-Y545 HydrophobicContact CB-CD1 3.74Å; K234-Y545 HydrophobicContact CB-CE1 3.48Å; K234-Y545 VanDerWaalsContact CB-CE1 3.48Å; K234-Y545 HydrophobicContact CB-CG 4.5Å; K234-Y545 HydrophobicContact CD-CD1 3.8Å; K234-Y545 HydrophobicContact CD-CE1 4.32Å; K234-Y545 HydrophobicContact CG-CD1 4.38Å; K234-D549 IonicContact NZ-OD1 3.11Å; K234-D549 PolarHBondContact NZ-OD1 3.23Å; K234-D549 IonicContact NZ-OD2 2.8Å; K234-D549 PolarHBondContact NZ-OD2 3.46Å
235	I	82.4	Confident	73.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.7	175.9	-50.3	-172.1	0	0	0	108.1	I117 L119 I188 L191 C192 L233	I117-I235 HydrophobicContact CB-CG1 4.2Å; I117-I235 HydrophobicContact CB-CG2 4.28Å; I117-I235 HydrophobicContact CD1-CD1 4.26Å; I117-I235 HydrophobicContact CD1-CG1 4.42Å; I117-I235 HydrophobicContact CG2-CG2 4.5Å; I117-I235 WeakPolarHBondContact O-CA 3.44Å; L119-I235 HydrophobicContact CD1-CG2 3.54Å; L119-I235 HydrophobicContact CG-CG2 3.94Å; I188-I235 HydrophobicContact CB-CD1 4.31Å; I188-I235 HydrophobicContact CG1-CD1 4.14Å; I188-I235 HydrophobicContact CG1-CG2 4.46Å; I188-I235 HydrophobicContact CG2-CD1 4.1Å; I188-I235 HydrophobicContact CG2-CG2 4.26Å; L191-I235 HydrophobicContact CB-CD1 4.35Å; C192-I235 HydrophobicContact CB-CB 4.41Å; C192-I235 HydrophobicContact CB-CD1 4.06Å; C192-I235 HydrophobicContact CB-CG1 4.29Å; L233-I235 HydrophobicContact CB-CD1 4.38Å; L233-I235 HydrophobicContact CB-CG1 3.94Å; L233-I235 PolarHBondContact O-N 2.88Å; L233-I235 VanDerWaalsContact O-N 3.15Å
236	Y	78.3	Confident	74.1	Confident	60 Å²	60	46.7 Å²	46.7	24%	0.235	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.3	179.5	66.8	-85.6	0	0	0	111.9	Q116 I117 M118 L119 K234 Q238	Q116-Y236 HydrophobicContact CB-CE1 4.23Å; I117-Y236 PolarHBondContact O-N 3.28Å; M118-Y236 HydrophobicContact CB-CE1 4.31Å; M118-Y236 HydrophobicContact CB-CE2 4.12Å; M118-Y236 HydrophobicContact CG-CD2 4.45Å; M118-Y236 HydrophobicContact CG-CE2 3.72Å; L119-Y236 WeakPolarHBondContact CB-O 3.05Å; L119-Y236 PolarHBondContact N-O 2.97Å; K234-Y236 HydrophobicContact CG-CD1 4.37Å; Y236-Q238 HydrophobicContact CD2-CB 4.29Å; Y236-Q238 HydrophobicContact CE2-CB 4.08Å
237	F	75.6	Confident	73.9	Confident	27 Å²	27	46.6 Å²	46.6	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137	169.4	-171.8	-99.5	0	0	0	109.7	L119 Q121 V199 E202 V203	L119-F237 HydrophobicContact CB-CD2 4.18Å; L119-F237 CarbonylContact O-C 3.58Å; L119-F237 VanDerWaalsContact O-CA 3.3Å; L119-F237 WeakPolarHBondContact O-CA 3.49Å; Q121-F237 HydrophobicContact CB-CE2 4.25Å; Q121-F237 HydrophobicContact CB-CZ 4.44Å; Q121-F237 VanDerWaalsContact N-CE2 3.32Å; V199-F237 HydrophobicContact CG1-CB 4.23Å; E202-F237 VanDerWaalsContact CD-CD1 3.42Å; E202-F237 HydrophobicContact CG-CD1 4.11Å; E202-F237 HydrophobicContact CG-CG 4.37Å; E202-F237 WeakPolarHBondContact OE1-CD1 3.28Å; E202-F237 WeakPolarHBondContact OE2-CB 3.32Å; V203-F237 HydrophobicContact CG2-CB 3.94Å; V203-F237 HydrophobicContact CG2-CD2 3.75Å; V203-F237 HydrophobicContact CG2-CG 4.13Å
238	Q	69.3	Low	73.2	Confident	50 Å²	50	44.5 Å²	44.5	23%	0.234	23%	0.231	C	C	.	.			trans	-128.2	102.7	173.3	-172.8	-179.3	-18	0	0	109	M118 L119 S120 K134 Y236 E291	M118-Q238 HydrophobicContact CG-CB 4.01Å; M118-Q238 HydrophobicContact SD-CB 4.17Å; M118-Q238 PolarHBondContact SD-OE1 3.01Å; L119-Q238 PolarHBondContact O-N 2.87Å; S120-Q238 WeakPolarHBondContact CB-O 3.31Å; K134-Q238 PolarHBondContact NZ-O 3.48Å; Y236-Q238 HydrophobicContact CD2-CB 4.29Å; Y236-Q238 HydrophobicContact CE2-CB 4.08Å; Q238-E291 PolarHBondContact NE2-OE2 3.31Å
239	G	60.3	Low	72.6	Confident	29 Å²	29	45.6 Å²	45.6	30%	0.299	24%	0.24	S	C	.	.			trans	-62.6	-164.1	168.3	0	0	0	0	0	113.2
240	S	57.1	Low	72.6	Confident	55 Å²	55	45.6 Å²	45.6	39%	0.385	24%	0.24	S	C	.	.	S	Bend	trans	-120.8	21.1	-174.5	-172.4	0	0	0	0	112.8
241	E	55.7	Low	72.5	Confident	181 Å²	181	41.9 Å²	41.9	85%	0.846	22%	0.218	S	C	*	.	S	Bend	trans	-116.3	-1.9	-150.7	-60.7	-176.6	-176.1	0	0	115.8
242	Q	65.4	Low	72.2	Confident	145 Å²	145	40 Å²	40	68%	0.678	21%	0.211	S	C	*	.	S	Bend	trans	-134.4	5.1	-178.5	-68.8	-168.6	-20.1	0	0	115.6	V294	Q242-V294 PolarHBondContact O-N 3.2Å
243	T	73.9	Confident	72.3	Confident	43 Å²	43	40.6 Å²	40.6	26%	0.264	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-117.2	146.6	174.9	49.5	0	0	0	0	111.1	E291 P292	T243-E291 HydrophobicContact CG2-CB 3.91Å; T243-P292 CarbonylContact C-O 3.42Å; T243-P292 VanDerWaalsContact CA-O 3.24Å; T243-P292 WeakPolarHBondContact CA-O 3.45Å
244	A	79.1	Confident	72.5	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.025	21%	0.214	C	C	.	.			trans	-74.5	132.2	-178.8	0	0	0	0	0	110.1	I246 P292 V294 A650 A651	A244-I246 PolarHBondContact O-N 3.11Å; A244-P292 HydrophobicContact CB-CB 4.27Å; A244-P292 HydrophobicContact CB-CG 4.49Å; A244-P292 PolarHBondContact N-O 2.81Å; A244-V294 HydrophobicContact CB-CG2 4.22Å; A244-A650 VanDerWaalsContact CB-O 3.31Å; A244-A650 WeakPolarHBondContact CB-O 3.46Å; A244-A651 WeakPolarHBondContact CA-O 3.49Å
245	M	75.4	Confident	72.8	Confident	36 Å²	36	41 Å²	41	18%	0.177	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.9	178.4	-169.4	-178.7	-174.6	0	0	110.8	A129 A651 Q652 I653 Y679	A129-M245 HydrophobicContact CB-CE 4.11Å; M245-A651 PolarHBondContact N-O 2.73Å; M245-Q652 HydrophobicContact CB-CG 4.14Å; M245-Q652 CarbonylContact O-C 3.54Å; M245-Q652 WeakPolarHBondContact O-CA 3.37Å; M245-I653 PolarHBondContact O-N 2.98Å; M245-Y679 WeakPolarHBondContact CE-OH 3.4Å
246	I	78.5	Confident	72.8	Confident	6 Å²	6	41 Å²	41	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.6	164.6	-51.9	178.7	0	0	0	106.8	T133 A244 A251 L256 P292 I632 I653	T133-I246 WeakPolarHBondContact CG2-O 3.37Å; A244-I246 PolarHBondContact O-N 3.11Å; I246-A251 HydrophobicContact CG2-CB 4.17Å; I246-L256 HydrophobicContact CD1-CD1 3.98Å; I246-L256 HydrophobicContact CG2-CD1 4.27Å; I246-P292 HydrophobicContact CD1-CG 3.92Å; I246-I632 HydrophobicContact CD1-CD1 3.74Å; I246-I632 HydrophobicContact CD1-CG1 4.04Å; I246-I653 HydrophobicContact CG1-CB 4.44Å
247	D	67.8	Low	72.6	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.043	21%	0.212	C	C	.	.			trans	-79.5	164.9	177.5	69.3	-91.5	0	0	0	112.9	S249 S250 A251 Y679	D247-S249 PolarHBondContact O-N 3.2Å; D247-S249 WeakPolarHBondContact OD2-CA 3.38Å; D247-S249 WeakPolarHBondContact OD2-CB 3.22Å; D247-S249 PolarHBondContact OD2-N 3.16Å; D247-S249 PolarHBondContact OD2-OG 2.84Å; D247-S250 VanDerWaalsContact CG-OG 3.27Å; D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 VanDerWaalsContact O-N 3.14Å; D247-S250 VanDerWaalsContact OD1-CB 3.29Å; D247-S250 WeakPolarHBondContact OD1-CB 3.34Å; D247-S250 PolarHBondContact OD1-OG 3.48Å; D247-S250 PolarHBondContact OD2-N 3.25Å; D247-S250 PolarHBondContact OD2-OG 2.95Å; D247-A251 PolarHBondContact O-N 2.9Å; D247-Y679 HydrophobicContact CB-CE1 3.79Å
248	S	64.4	Low	72.3	Confident	21 Å²	21	42 Å²	42	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-47.8	-55.5	178.5	175.8	0	0	0	0	113.7	Q136 S250 A251 Q252	Q136-S248 VanDerWaalsContact NE2-CB 3.33Å; Q136-S248 PolarHBondContact NE2-OG 3.48Å; Q136-S248 PolarHBondContact OE1-OG 3.04Å; S248-S250 VanDerWaalsContact C-N 3.31Å; S248-S250 PolarHBondContact O-N 3.48Å; S248-A251 PolarHBondContact O-N 3.48Å; S248-Q252 WeakPolarHBondContact O-CG 3.37Å; S248-Q252 PolarHBondContact O-N 2.92Å; S248-Q252 VanDerWaalsContact O-N 3.15Å
249	S	69.1	Low	72.8	Confident	33 Å²	33	40.7 Å²	40.7	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-43.5	-178.9	14	0	0	0	0	110.1	D247 Q252 N253	D247-S249 PolarHBondContact O-N 3.2Å; D247-S249 WeakPolarHBondContact OD2-CA 3.38Å; D247-S249 WeakPolarHBondContact OD2-CB 3.22Å; D247-S249 PolarHBondContact OD2-N 3.16Å; D247-S249 PolarHBondContact OD2-OG 2.84Å; S249-Q252 PolarHBondContact O-N 2.86Å; S249-N253 WeakPolarHBondContact O-CB 3.32Å; S249-N253 PolarHBondContact O-N 3.12Å; S249-N253 PolarHBondContact O-ND2 3.29Å; S249-N253 PolarHBondContact O-OD1 3.06Å
250	S	76.3	Confident	73.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-42.4	176.5	-65	0	0	0	0	113.7	D247 S248 Q252 N253 L254 T655	D247-S250 VanDerWaalsContact CG-OG 3.27Å; D247-S250 PolarHBondContact O-N 3.17Å; D247-S250 VanDerWaalsContact O-N 3.14Å; D247-S250 VanDerWaalsContact OD1-CB 3.29Å; D247-S250 WeakPolarHBondContact OD1-CB 3.34Å; D247-S250 PolarHBondContact OD1-OG 3.48Å; D247-S250 PolarHBondContact OD2-N 3.25Å; D247-S250 PolarHBondContact OD2-OG 2.95Å; S248-S250 VanDerWaalsContact C-N 3.31Å; S248-S250 PolarHBondContact O-N 3.48Å; S250-Q252 VanDerWaalsContact C-N 3.27Å; S250-Q252 PolarHBondContact O-N 3.24Å; S250-N253 PolarHBondContact O-N 2.92Å; S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.15Å; S250-L254 VanDerWaalsContact O-CG 3.28Å; S250-L254 WeakPolarHBondContact O-CG 3.35Å; S250-L254 PolarHBondContact O-N 3.27Å; S250-T655 VanDerWaalsContact CA-OG1 3.24Å; S250-T655 WeakPolarHBondContact CA-OG1 3.31Å; S250-T655 WeakPolarHBondContact CB-OG1 3.45Å; S250-T655 PolarHBondContact OG-N 3.06Å; S250-T655 PolarHBondContact OG-OG1 3.33Å
251	A	74.3	Confident	73.8	Confident	17 Å²	17	49.4 Å²	49.4	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-30.8	178.6	0	0	0	0	0	113	I246 D247 S248 L256 L290	I246-A251 HydrophobicContact CG2-CB 4.17Å; D247-A251 PolarHBondContact O-N 2.9Å; S248-A251 PolarHBondContact O-N 3.48Å; A251-L256 HydrophobicContact CB-CD1 4.08Å; A251-L256 PolarHBondContact O-N 2.89Å; A251-L290 HydrophobicContact CB-CD2 4.04Å
252	Q	74	Confident	74.4	Confident	106 Å²	106	44 Å²	44	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-79.1	-48	173.3	-69	171.7	-19.4	0	0	111.7	S248 S249 S250 L254 E255 N260	S248-Q252 WeakPolarHBondContact O-CG 3.37Å; S248-Q252 PolarHBondContact O-N 2.92Å; S248-Q252 VanDerWaalsContact O-N 3.15Å; S249-Q252 PolarHBondContact O-N 2.86Å; S250-Q252 VanDerWaalsContact C-N 3.27Å; S250-Q252 PolarHBondContact O-N 3.24Å; Q252-L254 VanDerWaalsContact C-N 3.27Å; Q252-L254 PolarHBondContact O-N 2.87Å; Q252-E255 WeakPolarHBondContact O-CG 3.26Å; Q252-E255 PolarHBondContact O-N 3.5Å; Q252-N260 PolarHBondContact O-ND2 2.9Å
253	N	81.4	Confident	74.3	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.064	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-38.5	178.6	-74.3	-15	0	0	0	112.3	S249 S250 E255 K625 T655 I657	S249-N253 WeakPolarHBondContact O-CB 3.32Å; S249-N253 PolarHBondContact O-N 3.12Å; S249-N253 PolarHBondContact O-ND2 3.29Å; S249-N253 PolarHBondContact O-OD1 3.06Å; S250-N253 PolarHBondContact O-N 2.92Å; N253-E255 VanDerWaalsContact C-N 3.34Å; N253-K625 WeakPolarHBondContact O-CE 3.45Å; N253-K625 PolarHBondContact O-NZ 3.39Å; N253-T655 PolarHBondContact ND2-O 3.05Å; N253-I657 HydrophobicContact CB-CB 4.31Å
254	L	85	Confident	73.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.1	176.9	-64.5	175.1	0	0	0	114.2	S250 Q252 L256 K625 A628 L629 I632 T655 I657	S250-L254 VanDerWaalsContact O-CB 3.3Å; S250-L254 WeakPolarHBondContact O-CB 3.15Å; S250-L254 VanDerWaalsContact O-CG 3.28Å; S250-L254 WeakPolarHBondContact O-CG 3.35Å; S250-L254 PolarHBondContact O-N 3.27Å; Q252-L254 VanDerWaalsContact C-N 3.27Å; Q252-L254 PolarHBondContact O-N 2.87Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 HydrophobicContact CB-CD2 3.64Å; L254-L256 HydrophobicContact CB-CG 3.9Å; L254-L256 HydrophobicContact CD1-CD2 4.3Å; L254-L256 PolarHBondContact O-N 3.36Å; L254-K625 HydrophobicContact CD2-CB 4.35Å; L254-K625 HydrophobicContact CD2-CG 4.3Å; L254-A628 HydrophobicContact CD1-CB 3.73Å; L254-A628 HydrophobicContact CD2-CB 3.59Å; L254-A628 HydrophobicContact CG-CB 4.32Å; L254-L629 HydrophobicContact CB-CD2 4.42Å; L254-I632 HydrophobicContact CD1-CD1 3.86Å; L254-T655 HydrophobicContact CD1-CG2 3.94Å; L254-T655 HydrophobicContact CD2-CG2 4.16Å; L254-T655 HydrophobicContact CG-CG2 4.13Å; L254-I657 HydrophobicContact CD2-CD1 4.48Å
255	E	86.7	Confident	73.3	Confident	28 Å²	28	52.9 Å²	52.9	13%	0.131	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	42.7	178.9	-62.1	174	113.3	0	0	112.2	Q252 N253 L257 V258 N259 N260 T268 L269 K625	Q252-E255 WeakPolarHBondContact O-CG 3.26Å; Q252-E255 PolarHBondContact O-N 3.5Å; N253-E255 VanDerWaalsContact C-N 3.34Å; E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.06Å; E255-V258 WeakPolarHBondContact CA-O 3.45Å; E255-N259 PolarHBondContact OE1-ND2 3.48Å; E255-N259 VanDerWaalsContact OE1-ND2 3.11Å; E255-N260 VanDerWaalsContact CG-ND2 3.29Å; E255-N260 WeakPolarHBondContact CG-ND2 3.28Å; E255-N260 PolarHBondContact OE1-N 2.93Å; E255-T268 CarbonylContact O-C 3.52Å; E255-T268 WeakPolarHBondContact O-CA 3.5Å; E255-T268 WeakPolarHBondContact O-CB 3.45Å; E255-L269 PolarHBondContact O-N 3.04Å; E255-L269 VanDerWaalsContact O-N 3.09Å; E255-K625 IonicContact OE2-NZ 3.35Å; E255-K625 PolarHBondContact OE2-NZ 2.91Å
256	L	80.8	Confident	73.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-64	-39.9	-173.2	-61.3	-174.5	0	0	0	112.1	I246 A251 L254 L269 F270 I289 L290 L629 I632	I246-L256 HydrophobicContact CD1-CD1 3.98Å; I246-L256 HydrophobicContact CG2-CD1 4.27Å; A251-L256 HydrophobicContact CB-CD1 4.08Å; A251-L256 PolarHBondContact O-N 2.89Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 HydrophobicContact CB-CD2 3.64Å; L254-L256 HydrophobicContact CB-CG 3.9Å; L254-L256 HydrophobicContact CD1-CD2 4.3Å; L254-L256 PolarHBondContact O-N 3.36Å; L256-L269 HydrophobicContact CD2-CB 4.28Å; L256-L269 HydrophobicContact CD2-CD2 3.91Å; L256-L269 PolarHBondContact O-N 3.05Å; L256-F270 WeakPolarHBondContact O-CB 3.24Å; L256-F270 PolarHBondContact O-N 2.87Å; L256-I289 HydrophobicContact CB-CG2 3.88Å; L256-I289 HydrophobicContact CD1-CG2 4.37Å; L256-I289 HydrophobicContact CG-CG2 4.49Å; L256-L290 HydrophobicContact CD1-CD2 4.31Å; L256-L629 HydrophobicContact CD2-CD2 3.72Å; L256-I632 HydrophobicContact CD1-CD1 4.12Å; L256-I632 HydrophobicContact CD2-CD1 3.75Å
257	L	74.6	Confident	73.5	Confident	29 Å²	29	60 Å²	60	15%	0.152	29%	0.294	C	S	.	.	S	Bend	trans	-130.4	-27.5	-171.9	-61	-177.7	0	0	0	114.4	E255 F270 R286 I289 L290	E255-L257 VanDerWaalsContact C-N 3.33Å; E255-L257 PolarHBondContact O-N 3.06Å; L257-F270 HydrophobicContact CD2-CB 3.9Å; L257-F270 HydrophobicContact CD2-CD2 4.35Å; L257-F270 HydrophobicContact CD2-CG 4.2Å; L257-R286 HydrophobicContact CD1-CG 4.1Å; L257-R286 HydrophobicContact CD2-CB 4.49Å; L257-R286 HydrophobicContact CD2-CG 3.91Å; L257-I289 HydrophobicContact CD2-CG2 4.24Å; L257-L290 HydrophobicContact CD1-CD1 3.54Å; L257-L290 HydrophobicContact CD1-CD2 3.72Å; L257-L290 HydrophobicContact CD1-CG 3.64Å; L257-L290 HydrophobicContact CG-CD2 4.22Å; L257-L290 HydrophobicContact CG-CG 4.39Å
258	V	69.9	Low	74.5	Confident	81 Å²	81	59.9 Å²	59.9	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-134	137	-179	-176.3	0	0	0	0	106.8	E255 T268	E255-V258 WeakPolarHBondContact CA-O 3.45Å; V258-T268 VanDerWaalsContact C-CG2 3.47Å
259	N	78.9	Confident	75.6	Confident	21 Å²	21	58.9 Å²	58.9	11%	0.112	29%	0.286	C	S	.	.			trans	-87.8	141.7	174.7	179.9	-79.8	0	0	0	109.3	E255 Q261 D262 S265 H267 T268	E255-N259 PolarHBondContact OE1-ND2 3.48Å; E255-N259 VanDerWaalsContact OE1-ND2 3.11Å; N259-Q261 VanDerWaalsContact C-N 3.34Å; N259-Q261 PolarHBondContact O-N 2.94Å; N259-Q261 PolarHBondContact OD1-N 2.97Å; N259-D262 PolarHBondContact OD1-N 3.47Å; N259-D262 VanDerWaalsContact OD1-N 3.14Å; N259-S265 VanDerWaalsContact CB-OG 3.23Å; N259-S265 WeakPolarHBondContact CB-OG 3.36Å; N259-H267 PolarHBondContact ND2-O 3.26Å; N259-T268 HydrophobicContact CB-CG2 3.98Å
260	N	69.8	Low	76.5	Confident	76 Å²	76	58.6 Å²	58.6	41%	0.406	28%	0.281	S	S	.	.	S	Bend	trans	-80.2	-13.7	-171.6	-63.4	-45.9	0	0	0	113.8	Q252 E255	Q252-N260 PolarHBondContact O-ND2 2.9Å; E255-N260 VanDerWaalsContact CG-ND2 3.29Å; E255-N260 WeakPolarHBondContact CG-ND2 3.28Å; E255-N260 PolarHBondContact OE1-N 2.93Å
261	Q	68.4	Low	77	Confident	191 Å²	191	59.3 Å²	59.3	89%	0.893	29%	0.288	S	S	*	.	S	Bend	trans	-99.8	-43.2	178.5	-63.3	-174.8	-8.2	0	0	112.8	N259	N259-Q261 VanDerWaalsContact C-N 3.34Å; N259-Q261 PolarHBondContact O-N 2.94Å; N259-Q261 PolarHBondContact OD1-N 2.97Å
262	D	68.8	Low	77.7	Confident	68 Å²	68	58.6 Å²	58.6	36%	0.364	28%	0.282	S	S	.	.			trans	-132.4	108.4	172.9	176.2	23.6	0	0	0	112	N259 R264 S265	N259-D262 PolarHBondContact OD1-N 3.47Å; N259-D262 VanDerWaalsContact OD1-N 3.14Å; D262-R264 PolarHBondContact O-N 2.84Å; D262-R264 WeakPolarHBondContact OD1-CB 3.2Å; D262-R264 PolarHBondContact OD1-N 3.27Å; D262-S265 WeakPolarHBondContact O-CB 3.46Å; D262-S265 PolarHBondContact O-N 3.47Å; D262-S265 PolarHBondContact O-OG 2.86Å; D262-S265 PolarHBondContact OD2-N 3.15Å
263	Y	63.9	Low	78.6	Confident	170 Å²	170	53.6 Å²	53.6	67%	0.667	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.6	175.8	71.2	-86.6	0	0	0	114.8
264	R	59.8	Low	79	Confident	184 Å²	184	55.1 Å²	55.1	69%	0.694	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.6	174.6	-56.2	-170.2	179.7	-151.2	-2.2	113.9	D262	D262-R264 PolarHBondContact O-N 2.84Å; D262-R264 WeakPolarHBondContact OD1-CB 3.2Å; D262-R264 PolarHBondContact OD1-N 3.27Å
265	S	71.1	Confident	79.3	Confident	24 Å²	24	57.8 Å²	57.8	17%	0.168	28%	0.277	C	S	.	.			trans	-75.2	144.3	-175.9	71.6	0	0	0	0	111.7	N259 D262 H267	N259-S265 VanDerWaalsContact CB-OG 3.23Å; N259-S265 WeakPolarHBondContact CB-OG 3.36Å; D262-S265 WeakPolarHBondContact O-CB 3.46Å; D262-S265 PolarHBondContact O-N 3.47Å; D262-S265 PolarHBondContact O-OG 2.86Å; D262-S265 PolarHBondContact OD2-N 3.15Å; S265-H267 PolarHBondContact O-N 3.41Å
266	N	73.4	Confident	79.4	Confident	115 Å²	115	57.5 Å²	57.5	62%	0.615	28%	0.277	S	S	*	.			trans	-83.5	18.5	172.4	-65.3	-35.2	0	0	0	112	T268 G271	N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 2.98Å; N266-T268 VanDerWaalsContact O-N 3.12Å; N266-G271 WeakPolarHBondContact O-CA 3.43Å
267	H	85.1	Confident	79.7	Confident	77 Å²	77	61.8 Å²	61.8	36%	0.356	30%	0.296	S	S	.	.			trans	-90.2	64.7	-177.1	-62.9	-52.1	0	0	0	110.7	N259 S265 I587 I591	N259-H267 PolarHBondContact ND2-O 3.26Å; S265-H267 PolarHBondContact O-N 3.41Å; H267-I587 HydrophobicContact CB-CG2 4.3Å; H267-I591 HydrophobicContact CB-CD1 4.14Å; H267-I591 HydrophobicContact CB-CG1 4.3Å; H267-I591 WeakPolarHBondContact ND1-CG1 3.34Å
268	T	88.1	Confident	79.9	Confident	4 Å²	4	60.9 Å²	60.9	3%	0.025	29%	0.292	C	S	.	.	S	Bend	trans	-140.3	162.9	-176.8	59.7	0	0	0	0	109.9	E255 V258 N259 N266 F270 G271 V272	E255-T268 CarbonylContact O-C 3.52Å; E255-T268 WeakPolarHBondContact O-CA 3.5Å; E255-T268 WeakPolarHBondContact O-CB 3.45Å; V258-T268 VanDerWaalsContact C-CG2 3.47Å; N259-T268 HydrophobicContact CB-CG2 3.98Å; N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 2.98Å; N266-T268 VanDerWaalsContact O-N 3.12Å; T268-F270 PolarHBondContact O-N 3.31Å; T268-G271 CarbonylContact O-C 3.51Å; T268-G271 WeakPolarHBondContact O-CA 3.26Å; T268-G271 PolarHBondContact O-N 3.12Å; T268-G271 PolarHBondContact OG1-N 3.35Å; T268-V272 PolarHBondContact O-N 3.35Å
269	L	89.3	Confident	80	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-39.8	176.3	-177	60.6	0	0	0	111.7	E255 L256 G271 V272 L273 I289 P586 L629 I632 M633	E255-L269 PolarHBondContact O-N 3.04Å; E255-L269 VanDerWaalsContact O-N 3.09Å; L256-L269 HydrophobicContact CD2-CB 4.28Å; L256-L269 HydrophobicContact CD2-CD2 3.91Å; L256-L269 PolarHBondContact O-N 3.05Å; L269-G271 PolarHBondContact O-N 3.48Å; L269-V272 WeakPolarHBondContact O-CB 3.45Å; L269-V272 PolarHBondContact O-N 3.36Å; L269-V272 VanDerWaalsContact O-N 3.14Å; L269-L273 HydrophobicContact CD1-CD1 4.02Å; L269-L273 HydrophobicContact CD1-CG 4.3Å; L269-L273 HydrophobicContact CG-CD1 4.07Å; L269-L273 PolarHBondContact O-N 3.15Å; L269-I289 HydrophobicContact CD2-CG2 4.21Å; L269-P586 HydrophobicContact CD1-CG 4.47Å; L269-L629 HydrophobicContact CB-CD2 3.94Å; L269-L629 HydrophobicContact CD1-CD2 4.21Å; L269-L629 HydrophobicContact CD2-CD2 3.84Å; L269-L629 HydrophobicContact CG-CD2 4.19Å; L269-I632 HydrophobicContact CD2-CB 4.43Å; L269-I632 HydrophobicContact CD2-CG2 3.79Å; L269-M633 HydrophobicContact CD1-CG 3.88Å; L269-M633 HydrophobicContact CD1-SD 3.7Å; L269-M633 HydrophobicContact CD2-CG 4.45Å
270	F	86.8	Confident	79.4	Confident	28 Å²	28	58 Å²	58	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-58.4	-45	171.9	-179.1	-110.4	0	0	0	112.2	L256 L257 T268 V272 L273 N274 S282 L285 R286 I289	L256-F270 WeakPolarHBondContact O-CB 3.24Å; L256-F270 PolarHBondContact O-N 2.87Å; L257-F270 HydrophobicContact CD2-CB 3.9Å; L257-F270 HydrophobicContact CD2-CD2 4.35Å; L257-F270 HydrophobicContact CD2-CG 4.2Å; T268-F270 PolarHBondContact O-N 3.31Å; F270-V272 VanDerWaalsContact C-N 3.29Å; F270-V272 PolarHBondContact O-N 3.29Å; F270-L273 PolarHBondContact O-N 3.16Å; F270-N274 HydrophobicContact CD2-CB 4.45Å; F270-N274 HydrophobicContact CE2-CB 4.39Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.32Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.24Å; F270-N274 WeakPolarHBondContact O-CB 3.42Å; F270-N274 PolarHBondContact O-N 2.99Å; F270-S282 WeakPolarHBondContact CE2-O 3.42Å; F270-S282 WeakPolarHBondContact CZ-OG 3.28Å; F270-L285 HydrophobicContact CD2-CD2 4.21Å; F270-L285 HydrophobicContact CD2-CG 4.13Å; F270-L285 HydrophobicContact CE2-CB 4.43Å; F270-L285 HydrophobicContact CE2-CD2 4.25Å; F270-L285 HydrophobicContact CE2-CG 4.24Å; F270-R286 HydrophobicContact CD2-CB 4.27Å; F270-R286 HydrophobicContact CE2-CB 3.81Å; F270-R286 HydrophobicContact CZ-CB 4.44Å; F270-I289 HydrophobicContact CB-CD1 4.18Å; F270-I289 HydrophobicContact CD2-CD1 4.17Å
271	G	86.1	Confident	79.6	Confident	15 Å²	15	54.3 Å²	54.3	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-20.7	174.4	0	0	0	0	0	114.7	N266 T268 L269 K590	N266-G271 WeakPolarHBondContact O-CA 3.43Å; T268-G271 CarbonylContact O-C 3.51Å; T268-G271 WeakPolarHBondContact O-CA 3.26Å; T268-G271 PolarHBondContact O-N 3.12Å; T268-G271 PolarHBondContact OG1-N 3.35Å; L269-G271 PolarHBondContact O-N 3.48Å; G271-K590 PolarHBondContact O-NZ 2.97Å
272	V	90.8	Very high	80	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-51.2	166.7	176.2	0	0	0	0	110.4	T268 L269 F270 Y275 P586 I587 K590	T268-V272 PolarHBondContact O-N 3.35Å; L269-V272 WeakPolarHBondContact O-CB 3.45Å; L269-V272 PolarHBondContact O-N 3.36Å; L269-V272 VanDerWaalsContact O-N 3.14Å; F270-V272 VanDerWaalsContact C-N 3.29Å; F270-V272 PolarHBondContact O-N 3.29Å; V272-Y275 VanDerWaalsContact O-CE2 3.3Å; V272-Y275 WeakPolarHBondContact O-CE2 3.38Å; V272-P586 HydrophobicContact CG1-CB 4.19Å; V272-I587 HydrophobicContact CG2-CB 4.2Å; V272-I587 HydrophobicContact CG2-CG1 3.9Å; V272-K590 HydrophobicContact CB-CD 4.49Å; V272-K590 HydrophobicContact CG2-CD 4.18Å; V272-K590 WeakPolarHBondContact O-CE 3.2Å; V272-K590 PolarHBondContact O-NZ 3.43Å
273	L	92.3	Very high	80.1	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-89.5	-17.9	-168.1	-62.7	173.7	0	0	0	115.2	L269 F270 Y275 L285 I289 S559 F560 A563 M633 I636	L269-L273 HydrophobicContact CD1-CD1 4.02Å; L269-L273 HydrophobicContact CD1-CG 4.3Å; L269-L273 HydrophobicContact CG-CD1 4.07Å; L269-L273 PolarHBondContact O-N 3.15Å; F270-L273 PolarHBondContact O-N 3.16Å; L273-Y275 PolarHBondContact O-N 3.33Å; L273-L285 HydrophobicContact CB-CD1 4.29Å; L273-L285 HydrophobicContact CB-CD2 4.25Å; L273-I289 HydrophobicContact CD1-CD1 4.16Å; L273-S559 PolarHBondContact O-OG 3.15Å; L273-F560 HydrophobicContact CD1-CE1 4.29Å; L273-A563 HydrophobicContact CD2-CB 4.47Å; L273-M633 HydrophobicContact CD1-CG 4.21Å; L273-M633 HydrophobicContact CD2-CE 4.05Å; L273-I636 HydrophobicContact CD1-CD1 3.69Å
274	N	89.8	Confident	80.7	Confident	44 Å²	44	40.9 Å²	40.9	24%	0.235	20%	0.196	C	C	.	.			trans	-85.9	96.3	-170.3	-167	-2.5	0	0	0	113.5	F270 T276 S282 L285	F270-N274 HydrophobicContact CD2-CB 4.45Å; F270-N274 HydrophobicContact CE2-CB 4.39Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.32Å; F270-N274 WeakPolarHBondContact CZ-ND2 3.24Å; F270-N274 WeakPolarHBondContact O-CB 3.42Å; F270-N274 PolarHBondContact O-N 2.99Å; N274-T276 WeakPolarHBondContact OD1-CB 3.5Å; N274-T276 WeakPolarHBondContact OD1-CG2 3.27Å; N274-T276 PolarHBondContact OD1-N 3.11Å; N274-T276 VanDerWaalsContact OD1-N 3.15Å; N274-T276 PolarHBondContact OD1-OG1 3.35Å; N274-S282 PolarHBondContact ND2-OG 3Å; N274-S282 VanDerWaalsContact ND2-OG 3.11Å; N274-L285 HydrophobicContact CB-CD2 3.66Å
275	Y	91.9	Very high	81.6	Confident	56 Å²	56	32.1 Å²	32.1	22%	0.22	16%	0.163	C	C	.	.			trans	-113.1	9.6	167.3	-65	-84.5	0	0	0	112.2	V272 L273 K277 S559 H562 A563 L566 K590	V272-Y275 VanDerWaalsContact O-CE2 3.3Å; V272-Y275 WeakPolarHBondContact O-CE2 3.38Å; L273-Y275 PolarHBondContact O-N 3.33Å; Y275-K277 WeakPolarHBondContact O-CE 3.19Å; Y275-K277 PolarHBondContact O-NZ 2.91Å; Y275-S559 PolarHBondContact N-OG 2.72Å; Y275-H562 AromaticContact CD1-CE1 3.51Å; Y275-H562 AromaticContact CD1-ND1 3.58Å; Y275-H562 AromaticContact CE1-CE1 3.92Å; Y275-H562 AromaticContact CE1-ND1 3.99Å; Y275-H562 HydrophobicContact CG-CB 4.38Å; Y275-H562 AromaticContact CG-CG 3.95Å; Y275-H562 AromaticContact CG-ND1 3.67Å; Y275-A563 HydrophobicContact CD2-CB 4.32Å; Y275-A563 HydrophobicContact CE2-CB 4.12Å; Y275-L566 HydrophobicContact CD1-CD1 4.44Å; Y275-L566 HydrophobicContact CE1-CD1 3.55Å; Y275-L566 HydrophobicContact CE2-CD1 4.22Å; Y275-L566 VanDerWaalsContact CZ-CD1 3.42Å; Y275-L566 VanDerWaalsContact OH-CD1 3.25Å; Y275-L566 WeakPolarHBondContact OH-CD1 3.24Å; Y275-K590 WeakPolarHBondContact OH-CE 3.31Å; Y275-K590 PolarHBondContact OH-NZ 3.45Å
276	T	87.6	Confident	81.9	Confident	22 Å²	22	34 Å²	34	14%	0.135	17%	0.167	C	C	.	.			trans	-56.2	147.4	-177.3	64.9	0	0	0	0	112	N274 S282 L285 D555 S559	N274-T276 WeakPolarHBondContact OD1-CB 3.5Å; N274-T276 WeakPolarHBondContact OD1-CG2 3.27Å; N274-T276 PolarHBondContact OD1-N 3.11Å; N274-T276 VanDerWaalsContact OD1-N 3.15Å; N274-T276 PolarHBondContact OD1-OG1 3.35Å; T276-S282 WeakPolarHBondContact OG1-CA 3.31Å; T276-S282 WeakPolarHBondContact OG1-CB 3.44Å; T276-S282 PolarHBondContact OG1-N 2.85Å; T276-L285 HydrophobicContact CG2-CD2 4.37Å; T276-D555 WeakPolarHBondContact CA-OD1 3.31Å; T276-D555 WeakPolarHBondContact CB-OD2 3.41Å; T276-S559 PolarHBondContact N-OG 3.06Å
277	K	87.1	Confident	81.9	Confident	90 Å²	90	30.8 Å²	30.8	39%	0.391	15%	0.153	S	C	.	.	S	Bend	trans	-99.5	-21.3	179.8	-49.6	-50.4	178.9	-146.2	0	112.6	Y275 D555	Y275-K277 WeakPolarHBondContact O-CE 3.19Å; Y275-K277 PolarHBondContact O-NZ 2.91Å; K277-D555 PolarHBondContact N-OD1 3.34Å; K277-D555 PolarHBondContact N-OD2 3.12Å
278	T	78.9	Confident	81.7	Confident	10 Å²	10	27.5 Å²	27.5	6%	0.061	14%	0.138	C	C	.	.	S	Bend	trans	-109.8	149.8	-179.6	76.7	0	0	0	0	111.6	G280 G281 S282 I323 F326 V551 D555	T278-G280 PolarHBondContact O-N 3.2Å; T278-G281 PolarHBondContact O-N 2.94Å; T278-G281 PolarHBondContact OG1-N 3.36Å; T278-S282 PolarHBondContact O-N 2.93Å; T278-S282 VanDerWaalsContact O-N 3.1Å; T278-I323 HydrophobicContact CG2-CG2 3.82Å; T278-F326 HydrophobicContact CG2-CB 4.19Å; T278-V551 HydrophobicContact CG2-CG1 4.27Å; T278-D555 WeakPolarHBondContact CA-OD2 3.34Å; T278-D555 VanDerWaalsContact CB-OD2 3.28Å; T278-D555 WeakPolarHBondContact CB-OD2 3.45Å; T278-D555 PolarHBondContact N-OD2 3.04Å; T278-D555 PolarHBondContact OG1-OD2 3.27Å
279	A	72.3	Confident	81.5	Confident	39 Å²	39	27.3 Å²	27.3	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-68.3	-24.6	174.9	0	0	0	0	0	112.8	R283 D328	A279-R283 WeakPolarHBondContact O-CG 3.26Å; A279-R283 PolarHBondContact O-N 3.08Å; A279-R283 PolarHBondContact O-NH1 3.11Å; A279-D328 HydrophobicContact CB-CB 4.39Å; A279-D328 VanDerWaalsContact CB-OD2 3.28Å; A279-D328 WeakPolarHBondContact CB-OD2 3.43Å
280	G	66.3	Low	80.8	Confident	2 Å²	2	28.1 Å²	28.1	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-48.7	172.3	0	0	0	0	0	112.3	T278 S282 R283 R284	T278-G280 PolarHBondContact O-N 3.2Å; G280-S282 VanDerWaalsContact C-N 3.33Å; G280-S282 PolarHBondContact O-N 3.06Å; G280-R283 PolarHBondContact O-N 3.41Å; G280-R284 WeakPolarHBondContact O-CB 3.23Å; G280-R284 PolarHBondContact O-N 3.24Å
281	G	74	Confident	80.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-43.6	172.6	0	0	0	0	0	112.6	T278 R283 R284 L285 S552	T278-G281 PolarHBondContact O-N 2.94Å; T278-G281 PolarHBondContact OG1-N 3.36Å; G281-R283 PolarHBondContact O-N 3.38Å; G281-R284 WeakPolarHBondContact O-CB 3.39Å; G281-R284 PolarHBondContact O-N 2.94Å; G281-L285 WeakPolarHBondContact O-CB 3.34Å; G281-L285 PolarHBondContact O-N 3.46Å; G281-S552 WeakPolarHBondContact CA-O 3.5Å
282	S	75.9	Confident	80.4	Confident	11 Å²	11	27.4 Å²	27.4	8%	0.077	13%	0.134	C	C	.	.	H	α-helix	trans	-59.5	-44.1	174.5	-170.2	0	0	0	0	112.7	F270 N274 T276 T278 G280 R286	F270-S282 WeakPolarHBondContact CE2-O 3.42Å; F270-S282 WeakPolarHBondContact CZ-OG 3.28Å; N274-S282 PolarHBondContact ND2-OG 3Å; N274-S282 VanDerWaalsContact ND2-OG 3.11Å; T276-S282 WeakPolarHBondContact OG1-CA 3.31Å; T276-S282 WeakPolarHBondContact OG1-CB 3.44Å; T276-S282 PolarHBondContact OG1-N 2.85Å; T278-S282 PolarHBondContact O-N 2.93Å; T278-S282 VanDerWaalsContact O-N 3.1Å; G280-S282 VanDerWaalsContact C-N 3.33Å; G280-S282 PolarHBondContact O-N 3.06Å; S282-R286 PolarHBondContact O-N 3.32Å; S282-R286 VanDerWaalsContact O-N 3.1Å
283	R	71.3	Confident	80.3	Confident	53 Å²	53	28.4 Å²	28.4	20%	0.2	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-42.7	173.4	-75.8	-175.7	-64	-93.8	5.5	112.1	A279 G280 G281 R286 S287 D328 E330	A279-R283 WeakPolarHBondContact O-CG 3.26Å; A279-R283 PolarHBondContact O-N 3.08Å; A279-R283 PolarHBondContact O-NH1 3.11Å; G280-R283 PolarHBondContact O-N 3.41Å; G281-R283 PolarHBondContact O-N 3.38Å; R283-R286 PolarHBondContact O-N 3.36Å; R283-S287 PolarHBondContact O-N 3.3Å; R283-D328 IonicContact CZ-OD1 3.5Å; R283-D328 IonicContact CZ-OD2 3.24Å; R283-D328 IonicContact NH1-OD1 3.35Å; R283-D328 IonicContact NH1-OD2 2.63Å; R283-D328 PolarHBondContact NH1-OD2 2.98Å; R283-D328 VanDerWaalsContact NH2-CG 3.28Å; R283-D328 IonicContact NH2-OD1 3.21Å; R283-D328 PolarHBondContact NH2-OD1 3.34Å; R283-D328 IonicContact NH2-OD2 3.37Å; R283-D328 PolarHBondContact NH2-OD2 3.37Å; R283-D328 VanDerWaalsContact NH2-OD2 3.07Å; R283-E330 IonicContact CZ-OE2 2.61Å; R283-E330 IonicContact NE-OE2 3.46Å; R283-E330 PolarHBondContact NE-OE2 3.04Å; R283-E330 IonicContact NH2-OE2 2.68Å; R283-E330 PolarHBondContact NH2-OE2 3.49Å
284	R	76	Confident	80.1	Confident	82 Å²	82	30.6 Å²	30.6	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-60.2	-47.9	178.2	-167.2	73.9	-174.4	-174.1	6.9	111.1	G280 G281 S287 N288 M556	G280-R284 WeakPolarHBondContact O-CB 3.23Å; G280-R284 PolarHBondContact O-N 3.24Å; G281-R284 WeakPolarHBondContact O-CB 3.39Å; G281-R284 PolarHBondContact O-N 2.94Å; R284-S287 PolarHBondContact O-N 3.24Å; R284-N288 PolarHBondContact O-N 3.44Å; R284-N288 PolarHBondContact O-ND2 3.12Å; R284-M556 HydrophobicContact CB-SD 4.42Å; R284-M556 HydrophobicContact CG-SD 3.86Å
285	L	80.3	Confident	80.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.6	-49.2	176.2	178.1	58.4	0	0	0	111.8	F270 L273 N274 T276 G281 S287 N288 I289 M556 F560	F270-L285 HydrophobicContact CD2-CD2 4.21Å; F270-L285 HydrophobicContact CD2-CG 4.13Å; F270-L285 HydrophobicContact CE2-CB 4.43Å; F270-L285 HydrophobicContact CE2-CD2 4.25Å; F270-L285 HydrophobicContact CE2-CG 4.24Å; L273-L285 HydrophobicContact CB-CD1 4.29Å; L273-L285 HydrophobicContact CB-CD2 4.25Å; N274-L285 HydrophobicContact CB-CD2 3.66Å; T276-L285 HydrophobicContact CG2-CD2 4.37Å; G281-L285 WeakPolarHBondContact O-CB 3.34Å; G281-L285 PolarHBondContact O-N 3.46Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 2.81Å; L285-N288 PolarHBondContact O-N 3.34Å; L285-I289 HydrophobicContact CD1-CD1 3.83Å; L285-I289 HydrophobicContact CD1-CG1 4.22Å; L285-I289 HydrophobicContact CG-CD1 3.98Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 2.9Å; L285-M556 HydrophobicContact CB-CG 4.11Å; L285-M556 HydrophobicContact CD1-CG 4.22Å; L285-F560 HydrophobicContact CD1-CE1 3.52Å; L285-F560 HydrophobicContact CD1-CZ 3.98Å
286	R	77.4	Confident	80.1	Confident	64 Å²	64	30.9 Å²	30.9	24%	0.242	16%	0.16	C	C	.	.	H	α-helix	trans	-55.9	-45.6	176.5	173.7	180	173.3	98.8	2.7	112.3	L257 F270 S282 R283 L290	L257-R286 HydrophobicContact CD1-CG 4.1Å; L257-R286 HydrophobicContact CD2-CB 4.49Å; L257-R286 HydrophobicContact CD2-CG 3.91Å; F270-R286 HydrophobicContact CD2-CB 4.27Å; F270-R286 HydrophobicContact CE2-CB 3.81Å; F270-R286 HydrophobicContact CZ-CB 4.44Å; S282-R286 PolarHBondContact O-N 3.32Å; S282-R286 VanDerWaalsContact O-N 3.1Å; R283-R286 PolarHBondContact O-N 3.36Å; R286-L290 PolarHBondContact O-N 2.87Å
287	S	72.9	Confident	80.2	Confident	47 Å²	47	37 Å²	37	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-45.7	178	159.2	0	0	0	0	111.7	R283 R284 L285 I289 L290 E291	R283-S287 PolarHBondContact O-N 3.3Å; R284-S287 PolarHBondContact O-N 3.24Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 2.81Å; S287-I289 PolarHBondContact O-N 2.93Å; S287-L290 PolarHBondContact O-N 3.31Å; S287-E291 PolarHBondContact O-N 3.18Å
288	N	81.4	Confident	80.4	Confident	8 Å²	8	35.1 Å²	35.1	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-69.4	-32.5	-177.7	-76.6	-107.3	0	0	0	112.1	R284 L285 L290 E291 P292 R302 M556 I636	R284-N288 PolarHBondContact O-N 3.44Å; R284-N288 PolarHBondContact O-ND2 3.12Å; L285-N288 PolarHBondContact O-N 3.34Å; N288-L290 VanDerWaalsContact C-N 3.32Å; N288-L290 PolarHBondContact O-N 2.67Å; N288-E291 CarbonylContact O-C 3.57Å; N288-E291 VanDerWaalsContact O-C 3.23Å; N288-P292 WeakPolarHBondContact O-CA 3.18Å; N288-R302 VanDerWaalsContact OD1-CZ 3.27Å; N288-R302 PolarHBondContact OD1-NH1 2.95Å; N288-R302 PolarHBondContact OD1-NH2 2.93Å; N288-M556 HydrophobicContact CB-SD 4.32Å; N288-I636 HydrophobicContact CB-CB 4.45Å; N288-I636 HydrophobicContact CB-CG2 4.15Å; N288-I636 WeakPolarHBondContact O-CG2 3.4Å
289	I	83	Confident	81.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-33.6	174.6	-74.3	169.8	0	0	0	112.5	L256 L257 L269 F270 L273 L285 S287 I636	L256-I289 HydrophobicContact CB-CG2 3.88Å; L256-I289 HydrophobicContact CD1-CG2 4.37Å; L256-I289 HydrophobicContact CG-CG2 4.49Å; L257-I289 HydrophobicContact CD2-CG2 4.24Å; L269-I289 HydrophobicContact CD2-CG2 4.21Å; F270-I289 HydrophobicContact CB-CD1 4.18Å; F270-I289 HydrophobicContact CD2-CD1 4.17Å; L273-I289 HydrophobicContact CD1-CD1 4.16Å; L285-I289 HydrophobicContact CD1-CD1 3.83Å; L285-I289 HydrophobicContact CD1-CG1 4.22Å; L285-I289 HydrophobicContact CG-CD1 3.98Å; L285-I289 WeakPolarHBondContact O-CG1 3.18Å; L285-I289 PolarHBondContact O-N 2.9Å; S287-I289 PolarHBondContact O-N 2.93Å; I289-I636 HydrophobicContact CG1-CD1 4.09Å
290	L	75.3	Confident	82.1	Confident	18 Å²	18	34.6 Å²	34.6	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-86.6	-31	176.5	-70.5	-177.8	0	0	0	113.9	V137 A251 L256 L257 R286 S287 N288 P292	V137-L290 HydrophobicContact CB-CD1 4.31Å; V137-L290 HydrophobicContact CG2-CB 4.06Å; V137-L290 HydrophobicContact CG2-CD1 4.02Å; A251-L290 HydrophobicContact CB-CD2 4.04Å; L256-L290 HydrophobicContact CD1-CD2 4.31Å; L257-L290 HydrophobicContact CD1-CD1 3.54Å; L257-L290 HydrophobicContact CD1-CD2 3.72Å; L257-L290 HydrophobicContact CD1-CG 3.64Å; L257-L290 HydrophobicContact CG-CD2 4.22Å; L257-L290 HydrophobicContact CG-CG 4.39Å; R286-L290 PolarHBondContact O-N 2.87Å; S287-L290 PolarHBondContact O-N 3.31Å; N288-L290 VanDerWaalsContact C-N 3.32Å; N288-L290 PolarHBondContact O-N 2.67Å; L290-P292 VanDerWaalsContact C-CD 3.46Å; L290-P292 WeakPolarHBondContact O-CD 3.38Å
291	E	76.4	Confident	83.4	Confident	27 Å²	27	37.6 Å²	37.6	13%	0.126	19%	0.192	C	C	.	.	S	Bend	trans	-120.6	73	177.3	-62.3	-169.3	161	0	0	110.2	V137 Q238 T243 S287 N288	V137-E291 HydrophobicContact CG1-CG 4.21Å; V137-E291 HydrophobicContact CG2-CG 4Å; Q238-E291 PolarHBondContact NE2-OE2 3.31Å; T243-E291 HydrophobicContact CG2-CB 3.91Å; S287-E291 PolarHBondContact O-N 3.18Å; N288-E291 CarbonylContact O-C 3.57Å; N288-E291 VanDerWaalsContact O-C 3.23Å
292	P	88.1	Confident	84.4	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.			trans	-62.3	156	176.4	-19.2	31.7	0	0	0	111.5	T243 A244 I246 N288 L290 I632 Q635 I636	T243-P292 CarbonylContact C-O 3.42Å; T243-P292 VanDerWaalsContact CA-O 3.24Å; T243-P292 WeakPolarHBondContact CA-O 3.45Å; A244-P292 HydrophobicContact CB-CB 4.27Å; A244-P292 HydrophobicContact CB-CG 4.49Å; A244-P292 PolarHBondContact N-O 2.81Å; I246-P292 HydrophobicContact CD1-CG 3.92Å; N288-P292 WeakPolarHBondContact O-CA 3.18Å; L290-P292 VanDerWaalsContact C-CD 3.46Å; L290-P292 WeakPolarHBondContact O-CD 3.38Å; P292-I632 HydrophobicContact CG-CG1 4.41Å; P292-I632 HydrophobicContact CG-CG2 4.19Å; P292-Q635 HydrophobicContact CB-CB 3.61Å; P292-I636 HydrophobicContact CB-CG2 4.18Å; P292-I636 HydrophobicContact CG-CG2 4.47Å
293	L	88.3	Confident	85.3	Confident	24 Å²	24	37.5 Å²	37.5	13%	0.126	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-77.9	149.2	-177.5	-60.5	178.1	0	0	0	112.1	T298 I299 Q635	L293-T298 HydrophobicContact CD1-CG2 3.51Å; L293-I299 HydrophobicContact CB-CD1 3.95Å; L293-I299 HydrophobicContact CB-CG1 3.71Å; L293-I299 HydrophobicContact CD1-CG1 3.92Å; L293-I299 HydrophobicContact CG-CG1 4.41Å; L293-Q635 WeakPolarHBondContact CB-O 3.35Å; L293-Q635 PolarHBondContact N-O 3.04Å; L293-Q635 PolarHBondContact O-NE2 3.22Å
294	V	88.8	Confident	86.5	Confident	46 Å²	46	37.5 Å²	37.5	28%	0.279	19%	0.194	S	C	.	.			trans	-100.8	-20.7	168.8	-179.3	0	0	0	0	111.6	Q242 A244 I649	Q242-V294 PolarHBondContact O-N 3.2Å; A244-V294 HydrophobicContact CB-CG2 4.22Å; V294-I649 HydrophobicContact CB-CG2 4.44Å; V294-I649 HydrophobicContact CG1-CG2 3.98Å
295	D	89.3	Confident	87.3	Confident	55 Å²	55	33.6 Å²	33.6	29%	0.294	18%	0.179	S	C	.	.			trans	-79.8	120.4	177.8	171	38.5	0	0	0	112.9	E297 T298 I299	D295-E297 PolarHBondContact OD1-N 2.64Å; D295-T298 WeakPolarHBondContact OD2-CB 3.22Å; D295-T298 PolarHBondContact OD2-N 3.18Å; D295-T298 PolarHBondContact OD2-OG1 3.35Å; D295-I299 VanDerWaalsContact O-CD1 3.29Å; D295-I299 WeakPolarHBondContact O-CD1 3.38Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 2.99Å
296	V	90.7	Very high	88	Confident	50 Å²	50	33.6 Å²	33.6	30%	0.303	18%	0.179	S	C	.	.	H	α-helix	trans	-68.6	-34.7	178.9	-172.8	0	0	0	0	112.2	I299 S300 F574 I649	V296-I299 PolarHBondContact O-N 3.09Å; V296-S300 WeakPolarHBondContact O-CB 3.45Å; V296-S300 PolarHBondContact O-N 2.95Å; V296-S300 PolarHBondContact O-OG 3.36Å; V296-F574 HydrophobicContact CG1-CB 4.11Å; V296-F574 HydrophobicContact CG1-CD2 4.38Å; V296-F574 HydrophobicContact CG1-CG 4.34Å; V296-I649 HydrophobicContact CG2-CD1 3.32Å; V296-I649 HydrophobicContact CG2-CG1 3.93Å
297	E	91.3	Very high	88.9	Confident	151 Å²	151	33.6 Å²	33.6	71%	0.706	18%	0.182	S	C	*	.	H	α-helix	trans	-66.3	-47.5	-176.4	-64.1	-174.5	-171.4	0	0	110.3	D295 I299 S300 M301	D295-E297 PolarHBondContact OD1-N 2.64Å; E297-I299 VanDerWaalsContact C-N 3.35Å; E297-I299 PolarHBondContact O-N 3.27Å; E297-S300 PolarHBondContact O-N 2.91Å; E297-M301 WeakPolarHBondContact O-CG 3.36Å; E297-M301 PolarHBondContact O-N 3.06Å
298	T	90.4	Very high	89.9	Confident	51 Å²	51	32.4 Å²	32.4	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-35.6	174.2	-57.8	0	0	0	0	112.6	L293 D295 R302	L293-T298 HydrophobicContact CD1-CG2 3.51Å; D295-T298 WeakPolarHBondContact OD2-CB 3.22Å; D295-T298 PolarHBondContact OD2-N 3.18Å; D295-T298 PolarHBondContact OD2-OG1 3.35Å; T298-R302 WeakPolarHBondContact O-CG 3.41Å; T298-R302 PolarHBondContact O-N 2.59Å
299	I	93.6	Very high	90.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67	-46	174.4	-63.6	160.2	0	0	0	110.8	L293 D295 V296 E297 M301 R302 L303 F574 A634 Q635	L293-I299 HydrophobicContact CB-CD1 3.95Å; L293-I299 HydrophobicContact CB-CG1 3.71Å; L293-I299 HydrophobicContact CD1-CG1 3.92Å; L293-I299 HydrophobicContact CG-CG1 4.41Å; D295-I299 VanDerWaalsContact O-CD1 3.29Å; D295-I299 WeakPolarHBondContact O-CD1 3.38Å; D295-I299 WeakPolarHBondContact O-CG1 3.46Å; D295-I299 PolarHBondContact O-N 2.99Å; V296-I299 PolarHBondContact O-N 3.09Å; E297-I299 VanDerWaalsContact C-N 3.35Å; E297-I299 PolarHBondContact O-N 3.27Å; I299-M301 PolarHBondContact O-N 3.23Å; I299-R302 WeakPolarHBondContact O-CB 3.38Å; I299-R302 PolarHBondContact O-N 2.67Å; I299-R302 VanDerWaalsContact O-N 3.1Å; I299-L303 HydrophobicContact CG2-CD1 4.02Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.1Å; I299-F574 HydrophobicContact CB-CE2 4.37Å; I299-F574 HydrophobicContact CD1-CE1 4.44Å; I299-F574 HydrophobicContact CD1-CZ 4.17Å; I299-F574 HydrophobicContact CG2-CD2 4.48Å; I299-F574 HydrophobicContact CG2-CE2 3.47Å; I299-F574 VanDerWaalsContact CG2-CE2 3.47Å; I299-F574 HydrophobicContact CG2-CZ 3.69Å; I299-A634 WeakPolarHBondContact CG2-O 3.45Å; I299-Q635 HydrophobicContact CD1-CB 4.47Å; I299-Q635 HydrophobicContact CD1-CG 4.33Å
300	S	93.4	Very high	90.9	Very high	38 Å²	38	35 Å²	35	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-60.8	-44.9	178.7	-70.7	0	0	0	0	111.9	V296 E297 R302 L303 D304	V296-S300 WeakPolarHBondContact O-CB 3.45Å; V296-S300 PolarHBondContact O-N 2.95Å; V296-S300 PolarHBondContact O-OG 3.36Å; E297-S300 PolarHBondContact O-N 2.91Å; S300-R302 PolarHBondContact O-N 3.03Å; S300-L303 PolarHBondContact O-N 3.24Å; S300-D304 VanDerWaalsContact O-CG 3.25Å; S300-D304 PolarHBondContact O-N 3.43Å
301	M	93.6	Very high	91.7	Very high	65 Å²	65	41.1 Å²	41.1	32%	0.32	21%	0.213	S	C	.	.	H	α-helix	trans	-58.4	-30.9	174.7	-74.9	-170.1	-73.8	0	0	113.5	E297 I299 C305 P378	E297-M301 WeakPolarHBondContact O-CG 3.36Å; E297-M301 PolarHBondContact O-N 3.06Å; I299-M301 PolarHBondContact O-N 3.23Å; M301-C305 PolarHBondContact O-N 3.01Å; M301-C305 PolarHBondContact O-SG 3.49Å; M301-P378 HydrophobicContact CG-CG 4.43Å
302	R	94.7	Very high	92.5	Very high	7 Å²	7	43 Å²	43	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-73.2	-44.7	172.5	-68.5	176.4	-176.5	-162	2.3	111.8	N288 T298 I299 S300 D304 C305 V306 L557 I636	N288-R302 VanDerWaalsContact OD1-CZ 3.27Å; N288-R302 PolarHBondContact OD1-NH1 2.95Å; N288-R302 PolarHBondContact OD1-NH2 2.93Å; T298-R302 WeakPolarHBondContact O-CG 3.41Å; T298-R302 PolarHBondContact O-N 2.59Å; I299-R302 WeakPolarHBondContact O-CB 3.38Å; I299-R302 PolarHBondContact O-N 2.67Å; I299-R302 VanDerWaalsContact O-N 3.1Å; S300-R302 PolarHBondContact O-N 3.03Å; R302-D304 VanDerWaalsContact C-N 3.3Å; R302-D304 PolarHBondContact O-N 3.03Å; R302-C305 PolarHBondContact O-N 2.86Å; R302-V306 WeakPolarHBondContact O-CG2 3.41Å; R302-V306 PolarHBondContact O-N 2.71Å; R302-L557 HydrophobicContact CB-CD2 4.01Å; R302-L557 HydrophobicContact CG-CD2 4.18Å; R302-I636 VanDerWaalsContact CD-O 3.31Å; R302-I636 WeakPolarHBondContact CD-O 3.49Å; R302-I636 PolarHBondContact NH1-O 3.08Å
303	L	95.3	Very high	92.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-36.6	178.6	-68	173.1	0	0	0	111.9	I299 S300 V306 Q307 P572 F574 Y639	I299-L303 HydrophobicContact CG2-CD1 4.02Å; I299-L303 HydrophobicContact CG2-CG 4.37Å; I299-L303 WeakPolarHBondContact O-CG 3.44Å; I299-L303 PolarHBondContact O-N 3.1Å; S300-L303 PolarHBondContact O-N 3.24Å; L303-V306 PolarHBondContact O-N 3.49Å; L303-Q307 WeakPolarHBondContact O-CB 3.34Å; L303-Q307 PolarHBondContact O-N 3.35Å; L303-P572 HydrophobicContact CD1-CG 3.99Å; L303-P572 HydrophobicContact CD2-CG 4.14Å; L303-F574 HydrophobicContact CD1-CE2 4.12Å; L303-Y639 HydrophobicContact CD2-CD1 3.76Å; L303-Y639 HydrophobicContact CD2-CE1 4Å
304	D	95.3	Very high	92.7	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-43.6	173.3	-65.2	-32	0	0	0	111.8	S300 R302 Q307 E308 T377 R571	S300-D304 VanDerWaalsContact O-CG 3.25Å; S300-D304 PolarHBondContact O-N 3.43Å; R302-D304 VanDerWaalsContact C-N 3.3Å; R302-D304 PolarHBondContact O-N 3.03Å; D304-Q307 WeakPolarHBondContact O-CB 3.49Å; D304-Q307 PolarHBondContact O-N 2.9Å; D304-E308 PolarHBondContact O-N 3.42Å; D304-T377 HydrophobicContact CB-CG2 4.02Å; D304-R571 IonicContact OD1-CZ 3.37Å; D304-R571 IonicContact OD1-NH1 2.68Å; D304-R571 PolarHBondContact OD1-NH1 3.36Å; D304-R571 IonicContact OD1-NH2 3.56Å; D304-R571 PolarHBondContact OD1-NH2 2.96Å
305	C	94.5	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-40.3	174.5	-68.9	0	0	0	0	112.8	M301 R302 Q307 E308 L309 T377 L557	M301-C305 PolarHBondContact O-N 3.01Å; M301-C305 PolarHBondContact O-SG 3.49Å; R302-C305 PolarHBondContact O-N 2.86Å; C305-Q307 VanDerWaalsContact C-N 3.27Å; C305-Q307 PolarHBondContact O-N 3.32Å; C305-E308 PolarHBondContact O-N 2.92Å; C305-L309 WeakPolarHBondContact O-CB 3.42Å; C305-L309 WeakPolarHBondContact O-CG 3.27Å; C305-L309 PolarHBondContact O-N 2.86Å; C305-T377 PolarHBondContact SG-OG1 2.76Å; C305-L557 HydrophobicContact CB-CD1 4.11Å
306	V	95.3	Very high	92.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-36.7	174.2	174	0	0	0	0	110.4	R302 L303 L310 L557 F560 Y639	R302-V306 WeakPolarHBondContact O-CG2 3.41Å; R302-V306 PolarHBondContact O-N 2.71Å; L303-V306 PolarHBondContact O-N 3.49Å; V306-L310 HydrophobicContact CG1-CD1 3.89Å; V306-L310 WeakPolarHBondContact O-CB 3.46Å; V306-L310 WeakPolarHBondContact O-CD1 3.09Å; V306-L310 VanDerWaalsContact O-CG 3.22Å; V306-L310 WeakPolarHBondContact O-CG 3.29Å; V306-L310 PolarHBondContact O-N 2.96Å; V306-L310 VanDerWaalsContact O-N 3.13Å; V306-L557 HydrophobicContact CG2-CD2 4.05Å; V306-F560 HydrophobicContact CG1-CB 4.49Å; V306-F560 HydrophobicContact CG2-CB 3.9Å; V306-F560 HydrophobicContact CG2-CD2 4.2Å; V306-Y639 HydrophobicContact CB-CE1 4.16Å; V306-Y639 HydrophobicContact CG1-CD1 3.93Å; V306-Y639 HydrophobicContact CG1-CE1 3.76Å; V306-Y639 HydrophobicContact CG1-CG 4.49Å
307	Q	94.8	Very high	93	Very high	64 Å²	64	56.3 Å²	56.3	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-45.9	174.3	-167.4	175.1	-43.3	0	0	112.5	L303 D304 C305 L309 L310 Q311 Y639	L303-Q307 WeakPolarHBondContact O-CB 3.34Å; L303-Q307 PolarHBondContact O-N 3.35Å; D304-Q307 WeakPolarHBondContact O-CB 3.49Å; D304-Q307 PolarHBondContact O-N 2.9Å; C305-Q307 VanDerWaalsContact C-N 3.27Å; C305-Q307 PolarHBondContact O-N 3.32Å; Q307-L309 VanDerWaalsContact C-N 3.35Å; Q307-L309 PolarHBondContact O-N 3.05Å; Q307-L310 PolarHBondContact O-N 3.47Å; Q307-L310 VanDerWaalsContact O-N 3.11Å; Q307-Q311 WeakPolarHBondContact O-CG 3.31Å; Q307-Q311 PolarHBondContact O-N 3.2Å; Q307-Q311 VanDerWaalsContact O-N 3.08Å; Q307-Y639 WeakPolarHBondContact CA-OH 3.42Å; Q307-Y639 VanDerWaalsContact CB-OH 3.24Å; Q307-Y639 WeakPolarHBondContact CB-OH 3.4Å
308	E	94.4	Very high	93	Very high	22 Å²	22	50 Å²	50	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-44.1	176.5	179.2	160.8	-126.1	0	0	111.3	D304 C305 L310 Q311 D312 L315 S376 T377 L380	D304-E308 PolarHBondContact O-N 3.42Å; C305-E308 PolarHBondContact O-N 2.92Å; E308-L310 PolarHBondContact O-N 3.37Å; E308-Q311 PolarHBondContact O-N 3.26Å; E308-Q311 VanDerWaalsContact O-N 3.11Å; E308-D312 PolarHBondContact O-N 3.39Å; E308-L315 HydrophobicContact CG-CD2 3.9Å; E308-S376 WeakPolarHBondContact OE1-CA 3.28Å; E308-S376 VanDerWaalsContact OE1-CB 3.24Å; E308-S376 WeakPolarHBondContact OE1-CB 3.03Å; E308-S376 PolarHBondContact OE1-N 2.93Å; E308-S376 PolarHBondContact OE1-OG 3.1Å; E308-T377 HydrophobicContact CB-CG2 3.95Å; E308-T377 VanDerWaalsContact OE2-CB 3.26Å; E308-T377 WeakPolarHBondContact OE2-CB 3.49Å; E308-T377 WeakPolarHBondContact OE2-CG2 3.22Å; E308-T377 PolarHBondContact OE2-N 3.2Å; E308-T377 VanDerWaalsContact OE2-N 3.15Å; E308-T377 PolarHBondContact OE2-OG1 2.92Å; E308-L380 WeakPolarHBondContact OE2-CD1 3.27Å
309	L	93.3	Very high	93.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-12.5	175	-67.9	170.7	0	0	0	114.8	C305 Q307 L315 L319 L557 L558 A561	C305-L309 WeakPolarHBondContact O-CB 3.42Å; C305-L309 WeakPolarHBondContact O-CG 3.27Å; C305-L309 PolarHBondContact O-N 2.86Å; Q307-L309 VanDerWaalsContact C-N 3.35Å; Q307-L309 PolarHBondContact O-N 3.05Å; L309-L315 HydrophobicContact CD2-CD2 3.98Å; L309-L315 HydrophobicContact CD2-CG 3.97Å; L309-L319 HydrophobicContact CD2-CD1 3.7Å; L309-L557 HydrophobicContact CD1-CB 4.09Å; L309-L558 HydrophobicContact CD1-CD2 4.24Å; L309-L558 HydrophobicContact CD2-CD2 3.96Å; L309-A561 HydrophobicContact CB-CB 3.87Å
310	L	92.5	Very high	93	Very high	58 Å²	58	49.9 Å²	49.9	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-101.5	-10.7	173.9	-73	169.6	0	0	0	113	V306 Q307 E308 A561 C564 T565 Y639	V306-L310 HydrophobicContact CG1-CD1 3.89Å; V306-L310 WeakPolarHBondContact O-CB 3.46Å; V306-L310 WeakPolarHBondContact O-CD1 3.09Å; V306-L310 VanDerWaalsContact O-CG 3.22Å; V306-L310 WeakPolarHBondContact O-CG 3.29Å; V306-L310 PolarHBondContact O-N 2.96Å; V306-L310 VanDerWaalsContact O-N 3.13Å; Q307-L310 PolarHBondContact O-N 3.47Å; Q307-L310 VanDerWaalsContact O-N 3.11Å; E308-L310 PolarHBondContact O-N 3.37Å; L310-A561 HydrophobicContact CD2-CB 4.23Å; L310-A561 HydrophobicContact CG-CB 4.23Å; L310-C564 HydrophobicContact CD1-CB 3.77Å; L310-C564 HydrophobicContact CD2-CB 3.98Å; L310-T565 HydrophobicContact CD2-CG2 3.69Å; L310-Y639 HydrophobicContact CD1-CD2 4.18Å; L310-Y639 HydrophobicContact CD1-CE2 3.69Å
311	Q	92.5	Very high	92.9	Very high	148 Å²	148	51.2 Å²	51.2	69%	0.692	26%	0.256	S	S	*	.	H	α-helix	trans	-101.4	-25.6	177	-71.4	-177.6	-16.3	0	0	112.5	Q307 E308	Q307-Q311 WeakPolarHBondContact O-CG 3.31Å; Q307-Q311 PolarHBondContact O-N 3.2Å; Q307-Q311 VanDerWaalsContact O-N 3.08Å; E308-Q311 PolarHBondContact O-N 3.26Å; E308-Q311 VanDerWaalsContact O-N 3.11Å
312	D	92.1	Very high	92.8	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	24%	0.243	S	C	.	.			trans	-114.9	99.2	178	-172.6	-18.8	0	0	0	111.2	E308 E314 L315 F316	E308-D312 PolarHBondContact O-N 3.39Å; D312-E314 VanDerWaalsContact C-N 3.34Å; D312-E314 WeakPolarHBondContact OD1-CA 3.31Å; D312-E314 WeakPolarHBondContact OD1-CB 3.44Å; D312-E314 PolarHBondContact OD1-N 3.46Å; D312-L315 HydrophobicContact CB-CB 3.79Å; D312-L315 HydrophobicContact CB-CD2 4.39Å; D312-L315 PolarHBondContact OD1-N 2.94Å; D312-L315 WeakPolarHBondContact OD2-CB 3.49Å; D312-F316 PolarHBondContact O-N 3.4Å
313	E	90.1	Very high	92.6	Very high	144 Å²	144	48.3 Å²	48.3	67%	0.673	24%	0.242	S	C	*	.	H	α-helix	trans	-66.5	-32.6	176.3	-67.3	-172.2	-170.8	0	0	112.7	F316 F317	E313-F316 PolarHBondContact O-N 2.76Å; E313-F317 HydrophobicContact CB-CD2 4.31Å; E313-F317 HydrophobicContact CB-CE2 4.35Å; E313-F317 WeakPolarHBondContact O-CD2 3.37Å; E313-F317 PolarHBondContact O-N 2.85Å
314	E	90.9	Very high	92.3	Very high	172 Å²	172	51.6 Å²	51.6	80%	0.804	27%	0.265	S	S	*	.	H	α-helix	trans	-68.1	-41.8	179.1	-64.7	-166.8	176.8	0	0	110.5	D312 G318	D312-E314 VanDerWaalsContact C-N 3.34Å; D312-E314 WeakPolarHBondContact OD1-CA 3.31Å; D312-E314 WeakPolarHBondContact OD1-CB 3.44Å; D312-E314 PolarHBondContact OD1-N 3.46Å; E314-G318 WeakPolarHBondContact O-CA 3.46Å; E314-G318 PolarHBondContact O-N 2.91Å
315	L	91	Very high	92	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-46.6	171.6	-179.4	65.5	0	0	0	111.3	E308 L309 D312 L319 T371 L380	E308-L315 HydrophobicContact CG-CD2 3.9Å; L309-L315 HydrophobicContact CD2-CD2 3.98Å; L309-L315 HydrophobicContact CD2-CG 3.97Å; D312-L315 HydrophobicContact CB-CB 3.79Å; D312-L315 HydrophobicContact CB-CD2 4.39Å; D312-L315 PolarHBondContact OD1-N 2.94Å; D312-L315 WeakPolarHBondContact OD2-CB 3.49Å; L315-L319 HydrophobicContact CD1-CD1 3.75Å; L315-L319 HydrophobicContact CD1-CG 4.01Å; L315-L319 HydrophobicContact CG-CD1 3.99Å; L315-L319 WeakPolarHBondContact O-CB 3.23Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.21Å; L315-L319 PolarHBondContact O-N 3.23Å; L315-T371 HydrophobicContact CD1-CG2 4.08Å; L315-L380 HydrophobicContact CD2-CD1 4.25Å
316	F	92.4	Very high	91.5	Very high	13 Å²	13	56.2 Å²	56.2	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-54.8	-179.9	177.6	-98.4	0	0	0	112.4	D312 E313 Q320 L558 A561 H562	D312-F316 PolarHBondContact O-N 3.4Å; E313-F316 PolarHBondContact O-N 2.76Å; F316-Q320 VanDerWaalsContact O-CB 3.27Å; F316-Q320 WeakPolarHBondContact O-CB 3.38Å; F316-Q320 PolarHBondContact O-N 3.08Å; F316-L558 HydrophobicContact CD2-CD2 3.75Å; F316-L558 HydrophobicContact CE2-CD2 4.11Å; F316-A561 HydrophobicContact CD2-CB 4.12Å; F316-A561 HydrophobicContact CE2-CB 3.93Å; F316-H562 HydrophobicContact CE2-CB 4.21Å; F316-H562 HydrophobicContact CZ-CB 3.94Å
317	F	92.1	Very high	90.5	Very high	119 Å²	119	58.4 Å²	58.4	52%	0.522	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-35.6	179.6	-70.9	-62.8	0	0	0	112	E313 Q320 S321	E313-F317 HydrophobicContact CB-CD2 4.31Å; E313-F317 HydrophobicContact CB-CE2 4.35Å; E313-F317 WeakPolarHBondContact O-CD2 3.37Å; E313-F317 PolarHBondContact O-N 2.85Å; F317-Q320 PolarHBondContact O-N 3.11Å; F317-S321 WeakPolarHBondContact O-CB 3.29Å; F317-S321 PolarHBondContact O-N 2.59Å
318	G	91.9	Very high	89.4	Confident	18 Å²	18	56.8 Å²	56.8	19%	0.186	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-56.6	173.5	0	0	0	0	0	111.8	E314 Q320 S321 V322	E314-G318 WeakPolarHBondContact O-CA 3.46Å; E314-G318 PolarHBondContact O-N 2.91Å; G318-Q320 PolarHBondContact O-N 3.13Å; G318-S321 PolarHBondContact O-N 3.28Å; G318-S321 PolarHBondContact O-OG 3.29Å; G318-V322 PolarHBondContact O-N 3.07Å; G318-V322 VanDerWaalsContact O-N 3.15Å
319	L	91.6	Very high	88.1	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-41.7	179.2	-69.6	175	0	0	0	111.8	L309 L315 S321 V322 I323 L368 T371 L372 L558	L309-L319 HydrophobicContact CD2-CD1 3.7Å; L315-L319 HydrophobicContact CD1-CD1 3.75Å; L315-L319 HydrophobicContact CD1-CG 4.01Å; L315-L319 HydrophobicContact CG-CD1 3.99Å; L315-L319 WeakPolarHBondContact O-CB 3.23Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.21Å; L315-L319 PolarHBondContact O-N 3.23Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.48Å; L319-V322 PolarHBondContact O-N 3.36Å; L319-I323 WeakPolarHBondContact O-CB 3.42Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 3.1Å; L319-L368 HydrophobicContact CD2-CD1 3.73Å; L319-T371 HydrophobicContact CD2-CG2 3.61Å; L319-T371 HydrophobicContact CG-CG2 3.67Å; L319-L372 HydrophobicContact CD1-CD2 4.16Å; L319-L372 HydrophobicContact CD2-CD2 3.84Å; L319-L372 HydrophobicContact CD2-CG 3.93Å; L319-L558 HydrophobicContact CB-CD1 3.95Å; L319-L558 HydrophobicContact CB-CD2 4.12Å; L319-L558 HydrophobicContact CB-CG 4.48Å; L319-L558 HydrophobicContact CD1-CD2 4.49Å
320	Q	91.1	Very high	86.7	Confident	48 Å²	48	57.3 Å²	57.3	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-42.4	176.9	-170	-174.8	108.8	0	0	111.5	F316 F317 G318 V322 S324 L558	F316-Q320 VanDerWaalsContact O-CB 3.27Å; F316-Q320 WeakPolarHBondContact O-CB 3.38Å; F316-Q320 PolarHBondContact O-N 3.08Å; F317-Q320 PolarHBondContact O-N 3.11Å; G318-Q320 PolarHBondContact O-N 3.13Å; Q320-V322 PolarHBondContact O-N 2.88Å; Q320-S324 VanDerWaalsContact O-CB 3.24Å; Q320-S324 WeakPolarHBondContact O-CB 3.25Å; Q320-S324 PolarHBondContact O-N 3.49Å; Q320-S324 PolarHBondContact O-OG 2.86Å; Q320-L558 HydrophobicContact CB-CD1 4.48Å
321	S	91.8	Very high	85.5	Confident	66 Å²	66	58.9 Å²	58.9	46%	0.462	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-39.8	178.4	80.7	0	0	0	0	112.3	F317 G318 L319 S324	F317-S321 WeakPolarHBondContact O-CB 3.29Å; F317-S321 PolarHBondContact O-N 2.59Å; G318-S321 PolarHBondContact O-N 3.28Å; G318-S321 PolarHBondContact O-OG 3.29Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.48Å; S321-S324 PolarHBondContact O-OG 2.9Å
322	V	92	Very high	84.4	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-73	-50.3	179	172.3	0	0	0	0	111	G318 L319 Q320 S324 R325 F326 P367 L368	G318-V322 PolarHBondContact O-N 3.07Å; G318-V322 VanDerWaalsContact O-N 3.15Å; L319-V322 PolarHBondContact O-N 3.36Å; Q320-V322 PolarHBondContact O-N 2.88Å; V322-S324 VanDerWaalsContact C-N 3.3Å; V322-S324 PolarHBondContact O-N 3.1Å; V322-R325 WeakPolarHBondContact O-CB 3.5Å; V322-R325 PolarHBondContact O-N 3.37Å; V322-F326 HydrophobicContact CG1-CE2 3.93Å; V322-F326 WeakPolarHBondContact O-CD2 3.35Å; V322-P367 HydrophobicContact CG1-CB 4.42Å; V322-P367 HydrophobicContact CG2-CB 4.04Å; V322-L368 HydrophobicContact CG1-CB 3.89Å; V322-L368 HydrophobicContact CG1-CD1 4.06Å
323	I	90.5	Very high	83.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-32.9	-177.9	-70.2	-179.1	0	0	0	111.6	T278 L319 R325 F326 L368 L554 D555 L558	T278-I323 HydrophobicContact CG2-CG2 3.82Å; L319-I323 WeakPolarHBondContact O-CB 3.42Å; L319-I323 WeakPolarHBondContact O-CG1 3.4Å; L319-I323 PolarHBondContact O-N 3.1Å; I323-R325 PolarHBondContact O-N 3.06Å; I323-F326 PolarHBondContact O-N 2.93Å; I323-L368 HydrophobicContact CG1-CD1 4.39Å; I323-L554 HydrophobicContact CD1-CB 3.6Å; I323-D555 HydrophobicContact CG2-CB 3.85Å; I323-L558 HydrophobicContact CD1-CD1 3.88Å
324	S	88.3	Confident	82.1	Confident	70 Å²	70	42.5 Å²	42.5	49%	0.49	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.7	173.2	76.4	0	0	0	0	115	Q320 S321 V322	Q320-S324 VanDerWaalsContact O-CB 3.24Å; Q320-S324 WeakPolarHBondContact O-CB 3.25Å; Q320-S324 PolarHBondContact O-N 3.49Å; Q320-S324 PolarHBondContact O-OG 2.86Å; S321-S324 PolarHBondContact O-OG 2.9Å; V322-S324 VanDerWaalsContact C-N 3.3Å; V322-S324 PolarHBondContact O-N 3.1Å
325	R	88.6	Confident	80.9	Confident	139 Å²	139	36.1 Å²	36.1	53%	0.525	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.9	178.2	-63.8	170	58.3	-170.8	-7.4	113.3	V322 I323 H360 L364	V322-R325 WeakPolarHBondContact O-CB 3.5Å; V322-R325 PolarHBondContact O-N 3.37Å; I323-R325 PolarHBondContact O-N 3.06Å; R325-H360 PolarHBondContact O-NE2 3.29Å; R325-L364 HydrophobicContact CB-CD1 3.81Å; R325-L364 HydrophobicContact CB-CD2 3.92Å; R325-L364 VanDerWaalsContact O-CD1 3.32Å; R325-L364 WeakPolarHBondContact O-CD1 3.25Å
326	F	83.4	Confident	79.8	Confident	12 Å²	12	36 Å²	36	5%	0.053	19%	0.186	C	C	.	.			trans	-71.8	141.3	175.2	-84.9	-101.1	0	0	0	111	T278 V322 I323 T329 T361 L364 L368 L547 V551	T278-F326 HydrophobicContact CG2-CB 4.19Å; V322-F326 HydrophobicContact CG1-CE2 3.93Å; V322-F326 WeakPolarHBondContact O-CD2 3.35Å; I323-F326 PolarHBondContact O-N 2.93Å; F326-T329 HydrophobicContact CD1-CG2 4.01Å; F326-T361 HydrophobicContact CD1-CG2 4.19Å; F326-T361 HydrophobicContact CE1-CG2 3.95Å; F326-L364 HydrophobicContact CD2-CB 4.19Å; F326-L364 HydrophobicContact CD2-CD1 3.78Å; F326-L364 HydrophobicContact CE1-CB 4.32Å; F326-L364 HydrophobicContact CE2-CB 3.52Å; F326-L364 HydrophobicContact CE2-CD1 4Å; F326-L364 HydrophobicContact CE2-CG 4.36Å; F326-L364 HydrophobicContact CG-CD1 4.08Å; F326-L364 HydrophobicContact CZ-CB 3.6Å; F326-L364 HydrophobicContact CZ-CD1 4.48Å; F326-L368 HydrophobicContact CE2-CD2 4.41Å; F326-L368 HydrophobicContact CZ-CD2 4.2Å; F326-L547 HydrophobicContact CE1-CD1 4.38Å; F326-V551 HydrophobicContact CB-CG1 4.39Å; F326-V551 HydrophobicContact CD1-CG1 4.22Å; F326-V551 HydrophobicContact CD1-CG2 4.1Å; F326-V551 HydrophobicContact CE1-CG2 3.79Å; F326-V551 HydrophobicContact CE2-CG2 4.46Å; F326-V551 HydrophobicContact CG-CG1 4.17Å; F326-V551 HydrophobicContact CZ-CG2 4Å
327	L	76	Confident	78.7	Confident	46 Å²	46	35.3 Å²	35.3	24%	0.241	18%	0.184	C	C	.	.			trans	-87.8	174.4	168.7	-62.5	171.4	0	0	0	109.5	T329 Y357	L327-T329 PolarHBondContact O-N 3.28Å; L327-Y357 HydrophobicContact CD1-CD1 3.55Å; L327-Y357 HydrophobicContact CD1-CD2 4.12Å; L327-Y357 HydrophobicContact CD1-CE1 4.08Å; L327-Y357 HydrophobicContact CD1-CG 3.57Å
328	D	70.6	Confident	77.3	Confident	29 Å²	29	31.5 Å²	31.5	16%	0.155	17%	0.167	C	C	.	.			trans	-65.5	98.2	173.9	-170.6	-26.4	0	0	0	110.2	A279 R283 E330 Q331 L332	A279-D328 HydrophobicContact CB-CB 4.39Å; A279-D328 VanDerWaalsContact CB-OD2 3.28Å; A279-D328 WeakPolarHBondContact CB-OD2 3.43Å; R283-D328 IonicContact CZ-OD1 3.5Å; R283-D328 IonicContact CZ-OD2 3.24Å; R283-D328 IonicContact NH1-OD1 3.35Å; R283-D328 IonicContact NH1-OD2 2.63Å; R283-D328 PolarHBondContact NH1-OD2 2.98Å; R283-D328 VanDerWaalsContact NH2-CG 3.28Å; R283-D328 IonicContact NH2-OD1 3.21Å; R283-D328 PolarHBondContact NH2-OD1 3.34Å; R283-D328 IonicContact NH2-OD2 3.37Å; R283-D328 PolarHBondContact NH2-OD2 3.37Å; R283-D328 VanDerWaalsContact NH2-OD2 3.07Å; D328-E330 PolarHBondContact OD1-N 3.37Å; D328-Q331 HydrophobicContact CB-CB 3.95Å; D328-Q331 VanDerWaalsContact CG-CB 3.46Å; D328-Q331 PolarHBondContact OD1-N 2.91Å; D328-L332 VanDerWaalsContact O-CB 3.26Å; D328-L332 WeakPolarHBondContact O-CB 3Å; D328-L332 PolarHBondContact O-N 3.06Å
329	T	68.3	Low	76.3	Confident	10 Å²	10	33.9 Å²	33.9	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-71.9	-31.5	-175	50.3	0	0	0	0	112.6	F326 L327 L333 T361 S548	F326-T329 HydrophobicContact CD1-CG2 4.01Å; L327-T329 PolarHBondContact O-N 3.28Å; T329-L333 WeakPolarHBondContact O-CB 3.42Å; T329-L333 VanDerWaalsContact O-CG 3.24Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 2.66Å; T329-T361 HydrophobicContact CG2-CG2 3.84Å; T329-S548 WeakPolarHBondContact OG1-CB 3.26Å; T329-S548 PolarHBondContact OG1-OG 2.88Å
330	E	62.7	Low	75	Confident	27 Å²	27	35.5 Å²	35.5	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-70.4	-43.6	175.6	-55.5	-179.7	146	0	0	110.5	K113 P115 R283 D328 L333 S334 S548	K113-E330 CarbonylContact O-C 3.57Å; K113-E330 VanDerWaalsContact O-C 3.27Å; P115-E330 WeakPolarHBondContact CD-O 3.44Å; R283-E330 IonicContact CZ-OE2 2.61Å; R283-E330 IonicContact NE-OE2 3.46Å; R283-E330 PolarHBondContact NE-OE2 3.04Å; R283-E330 IonicContact NH2-OE2 2.68Å; R283-E330 PolarHBondContact NH2-OE2 3.49Å; D328-E330 PolarHBondContact OD1-N 3.37Å; E330-L333 PolarHBondContact O-N 2.98Å; E330-S334 PolarHBondContact O-N 2.78Å; E330-S548 WeakPolarHBondContact CG-OG 3.49Å
331	Q	66.7	Low	73.5	Confident	91 Å²	91	37.6 Å²	37.6	43%	0.425	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-41.8	175.4	-171.3	-179.1	3.4	0	0	111.7	K113 D328 S334 V335	K113-Q331 WeakPolarHBondContact O-CA 3.38Å; K113-Q331 PolarHBondContact O-N 3.07Å; D328-Q331 HydrophobicContact CB-CB 3.95Å; D328-Q331 VanDerWaalsContact CG-CB 3.46Å; D328-Q331 PolarHBondContact OD1-N 2.91Å; Q331-S334 PolarHBondContact O-N 2.97Å; Q331-V335 WeakPolarHBondContact O-CG2 3.5Å; Q331-V335 PolarHBondContact O-N 2.7Å; Q331-V335 VanDerWaalsContact O-N 3.1Å
332	L	70.2	Confident	72.1	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-55.8	-51.8	172.9	172.3	57	0	0	0	110.8	D328 S334 V335 L336 N354 Y357 L358	D328-L332 VanDerWaalsContact O-CB 3.26Å; D328-L332 WeakPolarHBondContact O-CB 3Å; D328-L332 PolarHBondContact O-N 3.06Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 2.94Å; L332-V335 PolarHBondContact O-N 2.96Å; L332-L336 HydrophobicContact CD1-CD1 3.76Å; L332-L336 HydrophobicContact CD1-CG 3.96Å; L332-L336 HydrophobicContact CG-CD1 3.91Å; L332-L336 HydrophobicContact CG-CG 4.5Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 VanDerWaalsContact O-CG 3.23Å; L332-L336 WeakPolarHBondContact O-CG 3.36Å; L332-L336 PolarHBondContact O-N 3.07Å; L332-N354 HydrophobicContact CD1-CB 3.67Å; L332-N354 VanDerWaalsContact CD1-O 3.28Å; L332-N354 WeakPolarHBondContact CD1-O 3.38Å; L332-Y357 HydrophobicContact CD1-CD2 4.5Å; L332-L358 HydrophobicContact CD2-CB 4.36Å
333	L	68.8	Low	70.8	Confident	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-40.4	177.2	-73.3	167.4	0	0	0	111.7	P115 T329 E330 V335 L336 V337 I541 L544 Y545	P115-L333 HydrophobicContact CG-CB 3.65Å; T329-L333 WeakPolarHBondContact O-CB 3.42Å; T329-L333 VanDerWaalsContact O-CG 3.24Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 2.66Å; E330-L333 PolarHBondContact O-N 2.98Å; L333-V335 PolarHBondContact O-N 3.02Å; L333-L336 PolarHBondContact O-N 3Å; L333-V337 WeakPolarHBondContact O-CB 3.36Å; L333-V337 VanDerWaalsContact O-CG2 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.26Å; L333-V337 PolarHBondContact O-N 2.84Å; L333-I541 HydrophobicContact CD2-CD1 4.12Å; L333-I541 HydrophobicContact CD2-CG1 4Å; L333-L544 HydrophobicContact CD1-CB 4.12Å; L333-L544 HydrophobicContact CD2-CB 3.68Å; L333-L544 HydrophobicContact CD2-CD1 3.89Å; L333-L544 HydrophobicContact CD2-CG 4.45Å; L333-L544 HydrophobicContact CG-CB 4.42Å; L333-Y545 HydrophobicContact CD1-CD1 4.39Å; L333-Y545 HydrophobicContact CD1-CG 4.38Å
334	S	64.6	Low	69.8	Low	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-51	-179.8	-165.5	0	0	0	0	111.7	L112 E330 Q331 L332 L336 V337 Q338	L112-S334 PolarHBondContact O-OG 2.87Å; E330-S334 PolarHBondContact O-N 2.78Å; Q331-S334 PolarHBondContact O-N 2.97Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 2.94Å; S334-L336 VanDerWaalsContact C-N 3.31Å; S334-L336 PolarHBondContact O-N 3.35Å; S334-V337 PolarHBondContact O-N 3.41Å; S334-Q338 WeakPolarHBondContact O-CB 3.42Å; S334-Q338 VanDerWaalsContact O-CG 3.28Å; S334-Q338 WeakPolarHBondContact O-CG 3.45Å; S334-Q338 PolarHBondContact O-N 2.75Å; S334-Q338 PolarHBondContact OG-NE2 2.81Å; S334-Q338 VanDerWaalsContact OG-NE2 3.1Å
335	V	65.8	Low	68.8	Low	38 Å²	38	47.6 Å²	47.6	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-75.2	-21.8	-178.4	-168.8	0	0	0	0	111.8	Q331 L332 L333 K351 N354	Q331-V335 WeakPolarHBondContact O-CG2 3.5Å; Q331-V335 PolarHBondContact O-N 2.7Å; Q331-V335 VanDerWaalsContact O-N 3.1Å; L332-V335 PolarHBondContact O-N 2.96Å; L333-V335 PolarHBondContact O-N 3.02Å; V335-K351 PolarHBondContact O-NZ 3.26Å; V335-N354 WeakPolarHBondContact CG1-ND2 3.41Å
336	L	69	Low	67.9	Low	4 Å²	4	47 Å²	47	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-44.4	167.7	-73.8	175.1	0	0	0	112	L332 L333 S334 K351 N354 L358 L534 Y538	L332-L336 HydrophobicContact CD1-CD1 3.76Å; L332-L336 HydrophobicContact CD1-CG 3.96Å; L332-L336 HydrophobicContact CG-CD1 3.91Å; L332-L336 HydrophobicContact CG-CG 4.5Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 VanDerWaalsContact O-CG 3.23Å; L332-L336 WeakPolarHBondContact O-CG 3.36Å; L332-L336 PolarHBondContact O-N 3.07Å; L333-L336 PolarHBondContact O-N 3Å; S334-L336 VanDerWaalsContact C-N 3.31Å; S334-L336 PolarHBondContact O-N 3.35Å; L336-K351 PolarHBondContact O-NZ 3Å; L336-N354 HydrophobicContact CD2-CB 3.86Å; L336-N354 HydrophobicContact CG-CB 4.29Å; L336-L358 HydrophobicContact CD1-CB 4.37Å; L336-L358 HydrophobicContact CD1-CD2 4.07Å; L336-L534 HydrophobicContact CD2-CD1 4.3Å; L336-L534 HydrophobicContact CD2-CD2 3.85Å; L336-Y538 PolarHBondContact O-OH 3.38Å; L336-Y538 VanDerWaalsContact O-OH 3.05Å
337	V	67.9	Low	67.2	Low	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-79.7	-29.4	-174.1	177.1	0	0	0	0	113.8	P115 Y228 A229 S232 L233 L333 S334 I339 I541	P115-V337 HydrophobicContact CB-CB 4.19Å; P115-V337 HydrophobicContact CB-CG1 4.44Å; P115-V337 HydrophobicContact CB-CG2 4.38Å; P115-V337 HydrophobicContact CG-CG2 4.47Å; Y228-V337 HydrophobicContact CD1-CG1 4.1Å; A229-V337 PolarHBondContact N-O 2.97Å; S232-V337 WeakPolarHBondContact OG-CG1 3.43Å; L233-V337 HydrophobicContact CD2-CG1 4.06Å; L333-V337 WeakPolarHBondContact O-CB 3.36Å; L333-V337 VanDerWaalsContact O-CG2 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.26Å; L333-V337 PolarHBondContact O-N 2.84Å; S334-V337 PolarHBondContact O-N 3.41Å; V337-I339 PolarHBondContact O-N 2.89Å; V337-I541 HydrophobicContact CG2-CD1 3.38Å
338	Q	64.5	Low	67	Low	38 Å²	38	45.4 Å²	45.4	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	115.1	174.6	-72.7	172.3	14.9	0	0	111.5	L112 Y228 S334 K351	L112-Q338 PolarHBondContact O-NE2 2.99Å; Y228-Q338 HydrophobicContact CD1-CG 3.83Å; Y228-Q338 HydrophobicContact CE1-CG 3.33Å; S334-Q338 WeakPolarHBondContact O-CB 3.42Å; S334-Q338 VanDerWaalsContact O-CG 3.28Å; S334-Q338 WeakPolarHBondContact O-CG 3.45Å; S334-Q338 PolarHBondContact O-N 2.75Å; S334-Q338 PolarHBondContact OG-NE2 2.81Å; S334-Q338 VanDerWaalsContact OG-NE2 3.1Å; Q338-K351 WeakPolarHBondContact O-CE 3.47Å; Q338-K351 PolarHBondContact O-NZ 2.9Å
339	I	69.8	Low	67.2	Low	69 Å²	69	47 Å²	47	35%	0.354	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.9	172.4	-53.8	178.4	0	0	0	108.4	S226 V227 A229 V337	S226-I339 CarbonylContact C-O 3.56Å; S226-I339 VanDerWaalsContact CA-O 3.26Å; S226-I339 WeakPolarHBondContact CA-O 3.46Å; S226-I339 WeakPolarHBondContact CB-O 3.26Å; V227-I339 PolarHBondContact N-O 2.96Å; V227-I339 WeakPolarHBondContact O-CA 3.4Å; V227-I339 WeakPolarHBondContact O-CB 3.45Å; V227-I339 PolarHBondContact O-N 3.17Å; A229-I339 HydrophobicContact CB-CD1 3.93Å; A229-I339 HydrophobicContact CB-CG1 4.43Å; V337-I339 PolarHBondContact O-N 2.89Å
340	P	63.8	Low	67.5	Low	35 Å²	35	48.7 Å²	48.7	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.1	175.5	31.5	-35.2	0	0	0	110.7	Q342 A347	P340-Q342 PolarHBondContact O-N 2.88Å; P340-A347 HydrophobicContact CG-CB 4.08Å
341	K	61	Low	68.2	Low	91 Å²	91	47.8 Å²	47.8	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	-76.9	-4.7	174.1	-67.2	172.5	168.7	178.1	0	113.7	E221 N225 V227	E221-K341 PolarHBondContact O-NZ 2.97Å; E221-K341 IonicContact OE1-NZ 3.57Å; E221-K341 PolarHBondContact OE1-NZ 3.08Å; N225-K341 VanDerWaalsContact O-CB 3.23Å; N225-K341 WeakPolarHBondContact O-CB 3.15Å; N225-K341 WeakPolarHBondContact O-CG 3.49Å; N225-K341 PolarHBondContact O-N 3.38Å; N225-K341 VanDerWaalsContact OD1-CD 3.27Å; N225-K341 WeakPolarHBondContact OD1-CD 3.13Å; V227-K341 HydrophobicContact CG2-CD 4.3Å; V227-K341 VanDerWaalsContact CG2-CE 3.44Å; V227-K341 HydrophobicContact CG2-CG 3.97Å
342	Q	61.3	Low	68.8	Low	127 Å²	127	43.6 Å²	43.6	59%	0.593	24%	0.235	S	C	*	.	S	Bend	trans	-137.5	121.5	178.6	-71.3	-179.2	-12.9	0	0	109.7	P340 T344	P340-Q342 PolarHBondContact O-N 2.88Å; Q342-T344 VanDerWaalsContact C-N 3.33Å; Q342-T344 PolarHBondContact O-N 3.1Å
343	D	65.6	Low	69.3	Low	99 Å²	99	43.7 Å²	43.7	53%	0.529	24%	0.236	S	C	.	.			trans	-74.2	83.9	179	-67.9	-38.8	0	0	0	111	Y527	D343-Y527 HydrophobicContact CB-CE1 4.26Å; D343-Y527 WeakPolarHBondContact OD1-CE1 3.31Å; D343-Y527 VanDerWaalsContact OD1-CZ 3.25Å; D343-Y527 PolarHBondContact OD1-OH 2.93Å
344	T	68.2	Low	69.8	Low	71 Å²	71	44.2 Å²	44.2	44%	0.436	24%	0.239	S	C	.	.			trans	-85.9	146.2	172.2	63.9	0	0	0	0	110.9	Q342 N346 A347 A348	Q342-T344 VanDerWaalsContact C-N 3.33Å; Q342-T344 PolarHBondContact O-N 3.1Å; T344-N346 PolarHBondContact O-N 2.94Å; T344-N346 VanDerWaalsContact O-N 3.17Å; T344-A347 WeakPolarHBondContact O-CB 3.4Å; T344-A347 PolarHBondContact O-N 3.05Å; T344-A347 WeakPolarHBondContact OG1-CB 3.46Å; T344-A347 PolarHBondContact OG1-N 2.81Å; T344-A348 PolarHBondContact O-N 3.2Å
345	V	68.4	Low	70.7	Confident	60 Å²	60	44.4 Å²	44.4	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-54.9	-36.5	177.2	-177.7	0	0	0	0	111.5	A347 A348 E349 R520 Y523	V345-A347 PolarHBondContact O-N 3.05Å; V345-A348 WeakPolarHBondContact O-CB 3.25Å; V345-A348 PolarHBondContact O-N 3.37Å; V345-E349 WeakPolarHBondContact O-CB 3.21Å; V345-E349 PolarHBondContact O-N 3.35Å; V345-R520 HydrophobicContact CG1-CG 4.27Å; V345-R520 HydrophobicContact CG2-CB 4.42Å; V345-R520 HydrophobicContact CG2-CG 4.16Å; V345-Y523 HydrophobicContact CG1-CD2 4.1Å
346	N	70.1	Confident	71.5	Confident	126 Å²	126	42.9 Å²	42.9	67%	0.674	23%	0.23	S	C	*	.	H	α-helix	trans	-66.6	-35.9	177.5	-60.8	5.6	0	0	0	112.4	T344 S350	T344-N346 PolarHBondContact O-N 2.94Å; T344-N346 VanDerWaalsContact O-N 3.17Å; N346-S350 VanDerWaalsContact O-CB 3.28Å; N346-S350 WeakPolarHBondContact O-CB 3.31Å; N346-S350 PolarHBondContact O-N 3.43Å
347	A	68.7	Low	72.2	Confident	21 Å²	21	45.3 Å²	45.3	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-70.6	-41.8	175.2	0	0	0	0	0	111.5	P340 T344 V345 S350 K351	P340-A347 HydrophobicContact CG-CB 4.08Å; T344-A347 WeakPolarHBondContact O-CB 3.4Å; T344-A347 PolarHBondContact O-N 3.05Å; T344-A347 WeakPolarHBondContact OG1-CB 3.46Å; T344-A347 PolarHBondContact OG1-N 2.81Å; V345-A347 PolarHBondContact O-N 3.05Å; A347-S350 PolarHBondContact O-N 3.12Å; A347-K351 WeakPolarHBondContact O-CG 3.38Å; A347-K351 PolarHBondContact O-N 2.72Å
348	A	71.9	Confident	73	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-57.1	-51.3	171.9	0	0	0	0	0	111.5	T344 V345 S350 K351 I352 Y527	T344-A348 PolarHBondContact O-N 3.2Å; V345-A348 WeakPolarHBondContact O-CB 3.25Å; V345-A348 PolarHBondContact O-N 3.37Å; A348-S350 VanDerWaalsContact C-N 3.32Å; A348-S350 PolarHBondContact O-N 3.15Å; A348-K351 PolarHBondContact O-N 3.22Å; A348-I352 WeakPolarHBondContact O-CD1 3.28Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.28Å; A348-I352 PolarHBondContact O-N 3.39Å; A348-Y527 HydrophobicContact CB-CD1 4.32Å; A348-Y527 HydrophobicContact CB-CD2 3.98Å; A348-Y527 HydrophobicContact CB-CG 3.74Å
349	E	73.3	Confident	74	Confident	62 Å²	62	43.7 Å²	43.7	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-39.6	178.5	-165.5	-174.3	156	0	0	112.1	V345 T353 K420 Y523	V345-E349 WeakPolarHBondContact O-CB 3.21Å; V345-E349 PolarHBondContact O-N 3.35Å; E349-T353 PolarHBondContact O-N 2.93Å; E349-T353 VanDerWaalsContact O-N 3.1Å; E349-T353 PolarHBondContact O-OG1 3.42Å; E349-K420 HydrophobicContact CG-CD 3.47Å; E349-K420 VanDerWaalsContact CG-CD 3.47Å; E349-K420 IonicContact OE1-NZ 3.26Å; E349-K420 PolarHBondContact OE1-NZ 3.02Å; E349-Y523 HydrophobicContact CB-CD2 4.19Å; E349-Y523 HydrophobicContact CB-CE2 4.19Å; E349-Y523 HydrophobicContact CG-CD2 4.26Å; E349-Y523 HydrophobicContact CG-CE2 3.78Å
350	S	74.8	Confident	74.8	Confident	45 Å²	45	42.4 Å²	42.4	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-51.5	174.7	-177.2	0	0	0	0	111.7	N346 A347 A348 I352 T353 N354	N346-S350 VanDerWaalsContact O-CB 3.28Å; N346-S350 WeakPolarHBondContact O-CB 3.31Å; N346-S350 PolarHBondContact O-N 3.43Å; A347-S350 PolarHBondContact O-N 3.12Å; A348-S350 VanDerWaalsContact C-N 3.32Å; A348-S350 PolarHBondContact O-N 3.15Å; S350-I352 PolarHBondContact O-N 2.91Å; S350-T353 WeakPolarHBondContact O-CB 3.46Å; S350-T353 PolarHBondContact O-N 2.94Å; S350-T353 VanDerWaalsContact O-N 3.1Å; S350-N354 VanDerWaalsContact O-CG 3.25Å; S350-N354 PolarHBondContact O-N 3.11Å; S350-N354 PolarHBondContact O-ND2 3.45Å; S350-N354 PolarHBondContact OG-ND2 3.32Å
351	K	77	Confident	75.9	Confident	9 Å²	9	40.9 Å²	40.9	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-42.4	179.5	-71.8	-74.8	-164.6	-171.3	0	112.7	V335 L336 Q338 A347 A348 T353 N354 L355 Y527 V530 L534	V335-K351 PolarHBondContact O-NZ 3.26Å; L336-K351 PolarHBondContact O-NZ 3Å; Q338-K351 WeakPolarHBondContact O-CE 3.47Å; Q338-K351 PolarHBondContact O-NZ 2.9Å; A347-K351 WeakPolarHBondContact O-CG 3.38Å; A347-K351 PolarHBondContact O-N 2.72Å; A348-K351 PolarHBondContact O-N 3.22Å; K351-T353 VanDerWaalsContact C-N 3.35Å; K351-N354 PolarHBondContact O-N 2.89Å; K351-L355 PolarHBondContact O-N 2.95Å; K351-Y527 HydrophobicContact CB-CD2 4.18Å; K351-Y527 HydrophobicContact CB-CE2 4.39Å; K351-Y527 HydrophobicContact CG-CD2 4.35Å; K351-Y527 HydrophobicContact CG-CE2 4.06Å; K351-V530 HydrophobicContact CB-CG1 4.48Å; K351-L534 HydrophobicContact CD-CD1 4.3Å
352	I	80.2	Confident	77.2	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-45	175.2	-63	162.1	0	0	0	110.5	A348 S350 N354 L355 I356 K420 A423 T526 V530	A348-I352 WeakPolarHBondContact O-CD1 3.28Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.28Å; A348-I352 PolarHBondContact O-N 3.39Å; S350-I352 PolarHBondContact O-N 2.91Å; I352-N354 PolarHBondContact O-N 3.15Å; I352-L355 PolarHBondContact O-N 2.69Å; I352-I356 WeakPolarHBondContact O-CG1 3.5Å; I352-I356 PolarHBondContact O-N 2.62Å; I352-K420 HydrophobicContact CG2-CB 4.22Å; I352-K420 HydrophobicContact CG2-CG 4.13Å; I352-A423 HydrophobicContact CG2-CB 3.91Å; I352-T526 HydrophobicContact CD1-CG2 3.65Å; I352-T526 HydrophobicContact CG1-CG2 3.84Å; I352-T526 HydrophobicContact CG2-CG2 4.37Å; I352-V530 HydrophobicContact CG1-CG2 4.27Å
353	T	80.9	Confident	78.5	Confident	12 Å²	12	34.1 Å²	34.1	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-44.3	178.1	-47.8	0	0	0	0	111.5	E349 S350 K351 L355 I356 Y357 M416 K420	E349-T353 PolarHBondContact O-N 2.93Å; E349-T353 VanDerWaalsContact O-N 3.1Å; E349-T353 PolarHBondContact O-OG1 3.42Å; S350-T353 WeakPolarHBondContact O-CB 3.46Å; S350-T353 PolarHBondContact O-N 2.94Å; S350-T353 VanDerWaalsContact O-N 3.1Å; K351-T353 VanDerWaalsContact C-N 3.35Å; T353-L355 PolarHBondContact O-N 2.79Å; T353-I356 PolarHBondContact O-N 2.98Å; T353-Y357 HydrophobicContact CG2-CE1 3.91Å; T353-Y357 HydrophobicContact CG2-CE2 4.01Å; T353-Y357 WeakPolarHBondContact O-CD1 3.49Å; T353-Y357 PolarHBondContact O-N 3.15Å; T353-M416 HydrophobicContact CG2-SD 4.28Å; T353-K420 WeakPolarHBondContact OG1-CE 3.35Å; T353-K420 PolarHBondContact OG1-NZ 3.31Å
354	N	78.9	Confident	79.6	Confident	15 Å²	15	29.4 Å²	29.4	8%	0.08	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-34.5	179.1	-67.1	-33.1	0	0	0	112.4	L332 V335 L336 S350 K351 I352 I356 Y357 L358	L332-N354 HydrophobicContact CD1-CB 3.67Å; L332-N354 VanDerWaalsContact CD1-O 3.28Å; L332-N354 WeakPolarHBondContact CD1-O 3.38Å; V335-N354 WeakPolarHBondContact CG1-ND2 3.41Å; L336-N354 HydrophobicContact CD2-CB 3.86Å; L336-N354 HydrophobicContact CG-CB 4.29Å; S350-N354 VanDerWaalsContact O-CG 3.25Å; S350-N354 PolarHBondContact O-N 3.11Å; S350-N354 PolarHBondContact O-ND2 3.45Å; S350-N354 PolarHBondContact OG-ND2 3.32Å; K351-N354 PolarHBondContact O-N 2.89Å; I352-N354 PolarHBondContact O-N 3.15Å; N354-I356 VanDerWaalsContact C-N 3.33Å; N354-I356 PolarHBondContact O-N 3.14Å; N354-Y357 WeakPolarHBondContact O-CB 3.49Å; N354-Y357 PolarHBondContact O-N 2.56Å; N354-Y357 VanDerWaalsContact O-N 3.17Å; N354-L358 PolarHBondContact O-N 3.2Å
355	L	82.8	Confident	80.6	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-36.7	174.6	-170.9	73.1	0	0	0	112	K351 I352 T353 Y357 L358 K359 I399 I403 V530 L533 L534 I537	K351-L355 PolarHBondContact O-N 2.95Å; I352-L355 PolarHBondContact O-N 2.69Å; T353-L355 PolarHBondContact O-N 2.79Å; L355-Y357 VanDerWaalsContact C-N 3.33Å; L355-L358 HydrophobicContact CD1-CD2 4.48Å; L355-L358 PolarHBondContact O-N 3.23Å; L355-K359 PolarHBondContact O-N 2.74Å; L355-I399 HydrophobicContact CD1-CG1 4.48Å; L355-I403 HydrophobicContact CB-CD1 4.5Å; L355-I403 HydrophobicContact CD1-CD1 4.46Å; L355-I403 HydrophobicContact CD2-CD1 3.36Å; L355-I403 HydrophobicContact CD2-CG1 4.06Å; L355-I403 HydrophobicContact CG-CD1 3.49Å; L355-I403 VanDerWaalsContact CG-CD1 3.49Å; L355-V530 HydrophobicContact CB-CG1 4.49Å; L355-V530 HydrophobicContact CD2-CB 4.31Å; L355-V530 HydrophobicContact CD2-CG1 3.99Å; L355-V530 HydrophobicContact CD2-CG2 3.66Å; L355-L533 HydrophobicContact CD1-CD2 4.29Å; L355-L533 HydrophobicContact CD2-CD2 3.94Å; L355-L534 HydrophobicContact CD1-CD2 3.89Å; L355-L534 HydrophobicContact CD1-CG 4.43Å; L355-I537 HydrophobicContact CD1-CD1 4.32Å
356	I	82.7	Confident	81.6	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-37.2	171.6	-61.9	166.5	0	0	0	110.8	I352 T353 N354 K359 H360 A423	I352-I356 WeakPolarHBondContact O-CG1 3.5Å; I352-I356 PolarHBondContact O-N 2.62Å; T353-I356 PolarHBondContact O-N 2.98Å; N354-I356 VanDerWaalsContact C-N 3.33Å; N354-I356 PolarHBondContact O-N 3.14Å; I356-K359 PolarHBondContact O-N 3.47Å; I356-H360 PolarHBondContact O-N 3.32Å; I356-H360 VanDerWaalsContact O-N 3.11Å; I356-A423 HydrophobicContact CD1-CB 4.22Å
357	Y	83.6	Confident	82.6	Confident	55 Å²	55	25 Å²	25	22%	0.216	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-40.4	172.8	-62.5	-15	0	0	0	112.1	L327 L332 T353 N354 L355 H360 T361 Y409	L327-Y357 HydrophobicContact CD1-CD1 3.55Å; L327-Y357 HydrophobicContact CD1-CD2 4.12Å; L327-Y357 HydrophobicContact CD1-CE1 4.08Å; L327-Y357 HydrophobicContact CD1-CG 3.57Å; L332-Y357 HydrophobicContact CD1-CD2 4.5Å; T353-Y357 HydrophobicContact CG2-CE1 3.91Å; T353-Y357 HydrophobicContact CG2-CE2 4.01Å; T353-Y357 WeakPolarHBondContact O-CD1 3.49Å; T353-Y357 PolarHBondContact O-N 3.15Å; N354-Y357 WeakPolarHBondContact O-CB 3.49Å; N354-Y357 PolarHBondContact O-N 2.56Å; N354-Y357 VanDerWaalsContact O-N 3.17Å; L355-Y357 VanDerWaalsContact C-N 3.33Å; Y357-H360 PolarHBondContact O-N 3.1Å; Y357-T361 WeakPolarHBondContact O-CB 3.44Å; Y357-T361 PolarHBondContact O-N 3.38Å; Y357-T361 PolarHBondContact O-OG1 3.26Å; Y357-Y409 HydrophobicContact CD1-CD2 4.42Å; Y357-Y409 AromaticContact CE1-CD2 3.56Å; Y357-Y409 HydrophobicContact CE1-CD2 3.56Å; Y357-Y409 AromaticContact CE1-CE2 3.93Å; Y357-Y409 HydrophobicContact CE1-CE2 3.93Å; Y357-Y409 HydrophobicContact CE1-CG 4.22Å
358	L	85.3	Confident	83.6	Confident	4 Å²	4	24 Å²	24	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-62.6	-43	176.3	178.9	58.5	0	0	0	111.9	L332 L336 N354 L355 T361 L362 I399 I537 L544	L332-L358 HydrophobicContact CD2-CB 4.36Å; L336-L358 HydrophobicContact CD1-CB 4.37Å; L336-L358 HydrophobicContact CD1-CD2 4.07Å; N354-L358 PolarHBondContact O-N 3.2Å; L355-L358 HydrophobicContact CD1-CD2 4.48Å; L355-L358 PolarHBondContact O-N 3.23Å; L358-T361 PolarHBondContact O-N 2.72Å; L358-L362 HydrophobicContact CD1-CD1 3.97Å; L358-L362 HydrophobicContact CD1-CG 4.22Å; L358-L362 HydrophobicContact CG-CD1 3.99Å; L358-L362 WeakPolarHBondContact O-CG 3.19Å; L358-L362 PolarHBondContact O-N 3.47Å; L358-I399 HydrophobicContact CD2-CD1 3.86Å; L358-I399 HydrophobicContact CG-CD1 3.83Å; L358-I537 HydrophobicContact CD2-CD1 4.41Å; L358-I537 HydrophobicContact CD2-CG2 4.32Å; L358-L544 HydrophobicContact CD1-CD1 3.59Å; L358-L544 HydrophobicContact CD1-CD2 3.97Å; L358-L544 HydrophobicContact CD1-CG 4.43Å; L358-L544 HydrophobicContact CD2-CD1 4.33Å
359	K	86.6	Confident	84.5	Confident	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-54.1	-53.8	171.5	-178.5	-174.7	164.1	-162.3	0	111.1	L355 I356 T361 L362 E363 L396 I399 I403 N404 D405 A407	L355-K359 PolarHBondContact O-N 2.74Å; I356-K359 PolarHBondContact O-N 3.47Å; K359-T361 PolarHBondContact O-N 2.85Å; K359-L362 PolarHBondContact O-N 2.88Å; K359-E363 WeakPolarHBondContact CE-OE1 3.42Å; K359-E363 WeakPolarHBondContact O-CG 3.43Å; K359-E363 PolarHBondContact O-N 3.3Å; K359-L396 HydrophobicContact CG-CD1 4.48Å; K359-I399 HydrophobicContact CB-CG2 3.7Å; K359-I399 HydrophobicContact CD-CG2 4.21Å; K359-I399 HydrophobicContact CG-CG2 3.77Å; K359-I403 HydrophobicContact CD-CG2 4.17Å; K359-N404 PolarHBondContact NZ-O 2.59Å; K359-D405 PolarHBondContact NZ-O 3.05Å; K359-A407 PolarHBondContact NZ-O 3.2Å
360	H	86.3	Confident	85.3	Confident	41 Å²	41	27 Å²	27	19%	0.19	14%	0.141	C	C	.	.	H	α-helix	trans	-60.7	-40.6	178.9	170.7	96	0	0	0	112.7	R325 I356 Y357 E363 L364	R325-H360 PolarHBondContact O-NE2 3.29Å; I356-H360 PolarHBondContact O-N 3.32Å; I356-H360 VanDerWaalsContact O-N 3.11Å; Y357-H360 PolarHBondContact O-N 3.1Å; H360-E363 PolarHBondContact O-N 3.27Å; H360-L364 WeakPolarHBondContact O-CG 3.45Å; H360-L364 PolarHBondContact O-N 2.79Å
361	T	86.3	Confident	86	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-40	175.5	-69.6	0	0	0	0	112.1	F326 T329 Y357 L358 K359 L364 L547	F326-T361 HydrophobicContact CD1-CG2 4.19Å; F326-T361 HydrophobicContact CE1-CG2 3.95Å; T329-T361 HydrophobicContact CG2-CG2 3.84Å; Y357-T361 WeakPolarHBondContact O-CB 3.44Å; Y357-T361 PolarHBondContact O-N 3.38Å; Y357-T361 PolarHBondContact O-OG1 3.26Å; L358-T361 PolarHBondContact O-N 2.72Å; K359-T361 PolarHBondContact O-N 2.85Å; T361-L364 PolarHBondContact O-N 3.01Å; T361-L547 HydrophobicContact CG2-CD2 3.99Å
362	L	87.6	Confident	86.6	Confident	7 Å²	7	26.1 Å²	26.1	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-71.1	-36.7	176.8	-73.2	164	0	0	0	112.4	L358 K359 L364 V365 F392 I395 L396 I399 L544	L358-L362 HydrophobicContact CD1-CD1 3.97Å; L358-L362 HydrophobicContact CD1-CG 4.22Å; L358-L362 HydrophobicContact CG-CD1 3.99Å; L358-L362 WeakPolarHBondContact O-CG 3.19Å; L358-L362 PolarHBondContact O-N 3.47Å; K359-L362 PolarHBondContact O-N 2.88Å; L362-L364 PolarHBondContact O-N 2.99Å; L362-V365 WeakPolarHBondContact O-CB 3.42Å; L362-V365 PolarHBondContact O-N 2.7Å; L362-V365 VanDerWaalsContact O-N 3.08Å; L362-F392 HydrophobicContact CD2-CB 4.21Å; L362-F392 HydrophobicContact CD2-CD1 3.75Å; L362-F392 HydrophobicContact CD2-CG 4.45Å; L362-I395 HydrophobicContact CD1-CB 4.2Å; L362-I395 HydrophobicContact CD1-CG2 3.54Å; L362-L396 HydrophobicContact CB-CB 4.33Å; L362-L396 HydrophobicContact CB-CD1 4.01Å; L362-L396 HydrophobicContact CD1-CB 4.46Å; L362-I399 HydrophobicContact CD1-CD1 3.76Å; L362-L544 HydrophobicContact CD2-CD2 3.93Å
363	E	88.9	Confident	86.9	Confident	68 Å²	68	32.6 Å²	32.6	32%	0.318	16%	0.163	S	C	.	.	H	α-helix	trans	-63.4	-16.2	172.8	-72.4	173.9	178	0	0	113.4	K359 H360 P367 L396	K359-E363 WeakPolarHBondContact CE-OE1 3.42Å; K359-E363 WeakPolarHBondContact O-CG 3.43Å; K359-E363 PolarHBondContact O-N 3.3Å; H360-E363 PolarHBondContact O-N 3.27Å; E363-P367 WeakPolarHBondContact O-CD 3.46Å; E363-L396 HydrophobicContact CG-CD1 4.11Å
364	L	88.8	Confident	87.1	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-9.6	173.6	-66.7	173.3	0	0	0	114.5	R325 F326 H360 T361 L362 L368	R325-L364 HydrophobicContact CB-CD1 3.81Å; R325-L364 HydrophobicContact CB-CD2 3.92Å; R325-L364 VanDerWaalsContact O-CD1 3.32Å; R325-L364 WeakPolarHBondContact O-CD1 3.25Å; F326-L364 HydrophobicContact CD2-CB 4.19Å; F326-L364 HydrophobicContact CD2-CD1 3.78Å; F326-L364 HydrophobicContact CE1-CB 4.32Å; F326-L364 HydrophobicContact CE2-CB 3.52Å; F326-L364 HydrophobicContact CE2-CD1 4Å; F326-L364 HydrophobicContact CE2-CG 4.36Å; F326-L364 HydrophobicContact CG-CD1 4.08Å; F326-L364 HydrophobicContact CZ-CB 3.6Å; F326-L364 HydrophobicContact CZ-CD1 4.48Å; H360-L364 WeakPolarHBondContact O-CG 3.45Å; H360-L364 PolarHBondContact O-N 2.79Å; T361-L364 PolarHBondContact O-N 3.01Å; L362-L364 PolarHBondContact O-N 2.99Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 PolarHBondContact O-N 2.88Å; L364-L368 VanDerWaalsContact O-N 3.17Å
365	V	90.1	Very high	87.4	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.048	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-44.7	179.4	174	0	0	0	0	111.3	L362 L368 K369 L387 F392 L547	L362-V365 WeakPolarHBondContact O-CB 3.42Å; L362-V365 PolarHBondContact O-N 2.7Å; L362-V365 VanDerWaalsContact O-N 3.08Å; V365-L368 PolarHBondContact O-N 3.36Å; V365-K369 WeakPolarHBondContact O-CB 3.44Å; V365-K369 PolarHBondContact O-N 2.92Å; V365-L387 HydrophobicContact CG1-CD2 4.24Å; V365-F392 HydrophobicContact CG1-CD2 4.19Å; V365-F392 HydrophobicContact CG1-CG 4.28Å; V365-F392 HydrophobicContact CG2-CD1 4.47Å; V365-L547 HydrophobicContact CG2-CD1 4.02Å; V365-L547 HydrophobicContact CG2-CD2 3.66Å
366	E	89.7	Confident	87.6	Confident	112 Å²	112	42.3 Å²	42.3	52%	0.523	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-44.7	-179	-171.1	61.9	-155.8	0	0	112.6	L368 K369 V370	E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.44Å; E366-K369 PolarHBondContact O-N 2.9Å; E366-V370 WeakPolarHBondContact O-CG2 3.46Å; E366-V370 PolarHBondContact O-N 3.4Å
367	P	90.9	Very high	88	Confident	44 Å²	44	42.7 Å²	42.7	29%	0.286	22%	0.223	S	C	.	.	H	α-helix	trans	-53.4	-43.9	167.9	-29	35.4	0	0	0	113.9	V322 E363 V370 T371	V322-P367 HydrophobicContact CG1-CB 4.42Å; V322-P367 HydrophobicContact CG2-CB 4.04Å; E363-P367 WeakPolarHBondContact O-CD 3.46Å; P367-V370 PolarHBondContact O-N 3.37Å; P367-T371 PolarHBondContact O-N 2.79Å; P367-T371 VanDerWaalsContact O-N 3.13Å; P367-T371 PolarHBondContact O-OG1 3.01Å; P367-T371 VanDerWaalsContact O-OG1 3.13Å
368	L	90	Very high	88.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-41.4	178.6	-174.4	62.6	0	0	0	111.7	L319 V322 I323 F326 L364 V365 E366 T371 L372 L387 V551 L554	L319-L368 HydrophobicContact CD2-CD1 3.73Å; V322-L368 HydrophobicContact CG1-CB 3.89Å; V322-L368 HydrophobicContact CG1-CD1 4.06Å; I323-L368 HydrophobicContact CG1-CD1 4.39Å; F326-L368 HydrophobicContact CE2-CD2 4.41Å; F326-L368 HydrophobicContact CZ-CD2 4.2Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 PolarHBondContact O-N 2.88Å; L364-L368 VanDerWaalsContact O-N 3.17Å; V365-L368 PolarHBondContact O-N 3.36Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.44Å; L368-T371 PolarHBondContact O-N 3.39Å; L368-L372 HydrophobicContact CD1-CD1 4.26Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.26Å; L368-L372 VanDerWaalsContact O-N 3.1Å; L368-L387 HydrophobicContact CD2-CD1 3.86Å; L368-L387 HydrophobicContact CD2-CD2 4.31Å; L368-L387 HydrophobicContact CG-CD1 3.88Å; L368-V551 HydrophobicContact CD2-CG2 3.97Å; L368-L554 HydrophobicContact CD1-CD1 4.29Å; L368-L554 HydrophobicContact CD2-CD1 4.49Å
369	K	90.1	Very high	88.4	Confident	36 Å²	36	44.8 Å²	44.8	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-45.2	175.3	-179.6	-178.8	176.1	173.9	0	111.9	V365 E366 T371 L372 K373 Y384 E388	V365-K369 WeakPolarHBondContact O-CB 3.44Å; V365-K369 PolarHBondContact O-N 2.92Å; E366-K369 PolarHBondContact O-N 2.9Å; K369-T371 VanDerWaalsContact C-N 3.33Å; K369-T371 PolarHBondContact O-N 3.13Å; K369-L372 PolarHBondContact O-N 2.95Å; K369-K373 PolarHBondContact O-N 3.23Å; K369-Y384 HydrophobicContact CD-CE2 4.48Å; K369-Y384 WeakPolarHBondContact CE-OH 3.19Å; K369-Y384 HydrophobicContact CG-CD2 4.09Å; K369-Y384 HydrophobicContact CG-CE2 3.59Å; K369-Y384 WeakPolarHBondContact O-CE2 3.29Å; K369-E388 WeakPolarHBondContact CE-OE1 3.42Å; K369-E388 IonicContact NZ-OE1 2.74Å; K369-E388 PolarHBondContact NZ-OE1 3.33Å
370	V	90.7	Very high	88.6	Confident	92 Å²	92	44.8 Å²	44.8	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-44.9	177.9	169.4	0	0	0	0	110.9	E366 P367 K373	E366-V370 WeakPolarHBondContact O-CG2 3.46Å; E366-V370 PolarHBondContact O-N 3.4Å; P367-V370 PolarHBondContact O-N 3.37Å; V370-K373 VanDerWaalsContact O-CB 3.28Å; V370-K373 WeakPolarHBondContact O-CB 3.32Å; V370-K373 PolarHBondContact O-N 2.89Å
371	T	89.4	Confident	88.8	Confident	36 Å²	36	49.2 Å²	49.2	22%	0.221	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-38.5	178	-54.3	0	0	0	0	112.9	L315 L319 P367 L368 K369 K373	L315-T371 HydrophobicContact CD1-CG2 4.08Å; L319-T371 HydrophobicContact CD2-CG2 3.61Å; L319-T371 HydrophobicContact CG-CG2 3.67Å; P367-T371 PolarHBondContact O-N 2.79Å; P367-T371 VanDerWaalsContact O-N 3.13Å; P367-T371 PolarHBondContact O-OG1 3.01Å; P367-T371 VanDerWaalsContact O-OG1 3.13Å; L368-T371 PolarHBondContact O-N 3.39Å; K369-T371 VanDerWaalsContact C-N 3.33Å; K369-T371 PolarHBondContact O-N 3.13Å; T371-K373 VanDerWaalsContact C-N 3.27Å; T371-K373 PolarHBondContact O-N 3.32Å
372	L	88.6	Confident	88.9	Confident	1 Å²	1	52 Å²	52	1%	0.005	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-79.1	-1.7	179.7	-70.3	170	0	0	0	114.7	L319 L368 K369 N374 C375 L380 Y384 L387 L554	L319-L372 HydrophobicContact CD1-CD2 4.16Å; L319-L372 HydrophobicContact CD2-CD2 3.84Å; L319-L372 HydrophobicContact CD2-CG 3.93Å; L368-L372 HydrophobicContact CD1-CD1 4.26Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.26Å; L368-L372 VanDerWaalsContact O-N 3.1Å; K369-L372 PolarHBondContact O-N 2.95Å; L372-N374 VanDerWaalsContact C-N 3.33Å; L372-N374 PolarHBondContact O-N 2.94Å; L372-C375 PolarHBondContact O-N 3.42Å; L372-C375 PolarHBondContact O-SG 3.38Å; L372-C375 VanDerWaalsContact O-SG 3.41Å; L372-L380 HydrophobicContact CD2-CB 4.44Å; L372-L380 HydrophobicContact CD2-CD1 4.45Å; L372-L380 HydrophobicContact CD2-CD2 4.26Å; L372-Y384 HydrophobicContact CB-CD2 4.15Å; L372-L387 HydrophobicContact CD1-CD1 3.62Å; L372-L554 HydrophobicContact CD1-CD1 4.02Å; L372-L554 HydrophobicContact CD2-CD2 4.45Å
373	K	86.4	Confident	89	Confident	138 Å²	138	53.1 Å²	53.1	60%	0.6	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-64.3	-32.5	-170.4	-174.5	178.6	176.5	-176.9	0	114.5	K369 V370 T371 Y384	K369-K373 PolarHBondContact O-N 3.23Å; V370-K373 VanDerWaalsContact O-CB 3.28Å; V370-K373 WeakPolarHBondContact O-CB 3.32Å; V370-K373 PolarHBondContact O-N 2.89Å; T371-K373 VanDerWaalsContact C-N 3.27Å; T371-K373 PolarHBondContact O-N 3.32Å; K373-Y384 HydrophobicContact CB-CD2 4.46Å; K373-Y384 HydrophobicContact CB-CE2 3.86Å; K373-Y384 HydrophobicContact CG-CE2 4.09Å
374	N	84.4	Confident	89	Confident	147 Å²	147	52.1 Å²	52.1	79%	0.786	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-95.9	-0.5	-172.2	-66.2	-9.6	0	0	0	113.7	L372	L372-N374 VanDerWaalsContact C-N 3.33Å; L372-N374 PolarHBondContact O-N 2.94Å
375	C	86.7	Confident	89	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.068	30%	0.299	C	S	.	.			trans	-65.7	138.7	-169.7	-57.2	0	0	0	0	113.9	L372 L380 R381	L372-C375 PolarHBondContact O-N 3.42Å; L372-C375 PolarHBondContact O-SG 3.38Å; L372-C375 VanDerWaalsContact O-SG 3.41Å; C375-L380 HydrophobicContact CB-CB 3.66Å; C375-L380 HydrophobicContact CB-CD1 4.04Å; C375-L380 HydrophobicContact CB-CG 4.5Å; C375-R381 PolarHBondContact O-NH2 3.2Å
376	S	85.9	Confident	88.7	Confident	79 Å²	79	55.3 Å²	55.3	55%	0.552	31%	0.308	S	S	*	.			trans	-87	-34.7	-179.3	73.2	0	0	0	0	113.1	E308 R381	E308-S376 WeakPolarHBondContact OE1-CA 3.28Å; E308-S376 VanDerWaalsContact OE1-CB 3.24Å; E308-S376 WeakPolarHBondContact OE1-CB 3.03Å; E308-S376 PolarHBondContact OE1-N 2.93Å; E308-S376 PolarHBondContact OE1-OG 3.1Å; S376-R381 VanDerWaalsContact C-NH2 3.25Å; S376-R381 VanDerWaalsContact CA-NH2 3.31Å; S376-R381 PolarHBondContact O-NH1 3.07Å; S376-R381 PolarHBondContact O-NH2 2.98Å
377	T	90.8	Very high	88.6	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.074	28%	0.284	C	S	.	.	S	Bend	trans	-70.6	148.5	-174	56	0	0	0	0	113.6	D304 C305 E308 L379 L380 R381	D304-T377 HydrophobicContact CB-CG2 4.02Å; C305-T377 PolarHBondContact SG-OG1 2.76Å; E308-T377 HydrophobicContact CB-CG2 3.95Å; E308-T377 VanDerWaalsContact OE2-CB 3.26Å; E308-T377 WeakPolarHBondContact OE2-CB 3.49Å; E308-T377 WeakPolarHBondContact OE2-CG2 3.22Å; E308-T377 PolarHBondContact OE2-N 3.2Å; E308-T377 VanDerWaalsContact OE2-N 3.15Å; E308-T377 PolarHBondContact OE2-OG1 2.92Å; T377-L379 VanDerWaalsContact C-N 3.35Å; T377-L379 PolarHBondContact O-N 2.95Å; T377-L380 WeakPolarHBondContact OG1-CB 3.47Å; T377-L380 WeakPolarHBondContact OG1-CG 3.45Å; T377-R381 WeakPolarHBondContact O-CB 3.27Å; T377-R381 PolarHBondContact O-N 3.44Å; T377-R381 VanDerWaalsContact O-N 3.08Å
378	P	89.4	Confident	88.4	Confident	73 Å²	73	52.9 Å²	52.9	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-65.6	-36.6	-176.4	25.7	-34.4	0	0	0	112.7	M301 R381 A382	M301-P378 HydrophobicContact CG-CG 4.43Å; P378-R381 PolarHBondContact O-N 2.98Å; P378-A382 WeakPolarHBondContact O-CB 3.46Å; P378-A382 PolarHBondContact O-N 3.41Å
379	L	89.6	Confident	88.2	Confident	31 Å²	31	54.1 Å²	54.1	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-73.7	-41.7	-177.5	-179.7	65.1	0	0	0	112.1	T377 R381 A382 Y383 L557	T377-L379 VanDerWaalsContact C-N 3.35Å; T377-L379 PolarHBondContact O-N 2.95Å; L379-R381 VanDerWaalsContact C-N 3.35Å; L379-A382 PolarHBondContact O-N 3.24Å; L379-Y383 HydrophobicContact CD1-CE1 4.42Å; L379-Y383 HydrophobicContact CD1-CE2 3.8Å; L379-Y383 HydrophobicContact CD2-CE2 4.28Å; L379-Y383 HydrophobicContact CG-CD2 4.3Å; L379-Y383 HydrophobicContact CG-CE2 3.68Å; L379-Y383 VanDerWaalsContact O-CD2 3.28Å; L379-Y383 WeakPolarHBondContact O-CD2 3.37Å; L379-Y383 PolarHBondContact O-N 2.77Å; L379-L557 HydrophobicContact CD2-CD1 4.4Å
380	L	89.9	Confident	88	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-36.8	172.3	-64	-168.6	0	0	0	111.8	E308 L315 L372 C375 T377 Y383 Y384 L554	E308-L380 WeakPolarHBondContact OE2-CD1 3.27Å; L315-L380 HydrophobicContact CD2-CD1 4.25Å; L372-L380 HydrophobicContact CD2-CB 4.44Å; L372-L380 HydrophobicContact CD2-CD1 4.45Å; L372-L380 HydrophobicContact CD2-CD2 4.26Å; C375-L380 HydrophobicContact CB-CB 3.66Å; C375-L380 HydrophobicContact CB-CD1 4.04Å; C375-L380 HydrophobicContact CB-CG 4.5Å; T377-L380 WeakPolarHBondContact OG1-CB 3.47Å; T377-L380 WeakPolarHBondContact OG1-CG 3.45Å; L380-Y383 HydrophobicContact CD2-CD2 4.27Å; L380-Y383 PolarHBondContact O-N 2.61Å; L380-Y384 PolarHBondContact O-N 2.99Å; L380-L554 HydrophobicContact CD2-CD2 3.45Å; L380-L554 VanDerWaalsContact CD2-CD2 3.45Å
381	R	90.5	Very high	87.8	Confident	135 Å²	135	57.2 Å²	57.2	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-65.5	-36.9	173.5	-170.4	174.4	-61	117.3	16.4	112.8	C375 S376 T377 P378 L379 Y383 Y384 G385	C375-R381 PolarHBondContact O-NH2 3.2Å; S376-R381 VanDerWaalsContact C-NH2 3.25Å; S376-R381 VanDerWaalsContact CA-NH2 3.31Å; S376-R381 PolarHBondContact O-NH1 3.07Å; S376-R381 PolarHBondContact O-NH2 2.98Å; T377-R381 WeakPolarHBondContact O-CB 3.27Å; T377-R381 PolarHBondContact O-N 3.44Å; T377-R381 VanDerWaalsContact O-N 3.08Å; P378-R381 PolarHBondContact O-N 2.98Å; L379-R381 VanDerWaalsContact C-N 3.35Å; R381-Y383 VanDerWaalsContact C-N 3.34Å; R381-Y384 PolarHBondContact O-N 3.21Å; R381-G385 PolarHBondContact O-N 3.4Å
382	A	88.3	Confident	87.7	Confident	61 Å²	61	56.1 Å²	56.1	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-38.9	172.6	0	0	0	0	0	111.7	P378 L379 G385 S386	P378-A382 WeakPolarHBondContact O-CB 3.46Å; P378-A382 PolarHBondContact O-N 3.41Å; L379-A382 PolarHBondContact O-N 3.24Å; A382-G385 PolarHBondContact O-N 3.1Å; A382-S386 WeakPolarHBondContact O-CB 3.19Å; A382-S386 PolarHBondContact O-N 3.17Å
383	Y	89.3	Confident	87.6	Confident	31 Å²	31	57.7 Å²	57.7	12%	0.122	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-40.2	172.6	-66.5	-40.1	0	0	0	112.8	L379 L380 R381 G385 S386 L387 T550 M553 L554	L379-Y383 HydrophobicContact CD1-CE1 4.42Å; L379-Y383 HydrophobicContact CD1-CE2 3.8Å; L379-Y383 HydrophobicContact CD2-CE2 4.28Å; L379-Y383 HydrophobicContact CG-CD2 4.3Å; L379-Y383 HydrophobicContact CG-CE2 3.68Å; L379-Y383 VanDerWaalsContact O-CD2 3.28Å; L379-Y383 WeakPolarHBondContact O-CD2 3.37Å; L379-Y383 PolarHBondContact O-N 2.77Å; L380-Y383 HydrophobicContact CD2-CD2 4.27Å; L380-Y383 PolarHBondContact O-N 2.61Å; R381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-G385 PolarHBondContact O-N 2.76Å; Y383-S386 WeakPolarHBondContact O-CB 3.47Å; Y383-S386 PolarHBondContact O-N 3.45Å; Y383-L387 VanDerWaalsContact O-CG 3.28Å; Y383-L387 WeakPolarHBondContact O-CG 3.31Å; Y383-L387 PolarHBondContact O-N 3.04Å; Y383-T550 HydrophobicContact CD1-CG2 3.59Å; Y383-T550 WeakPolarHBondContact CD1-OG1 3.42Å; Y383-T550 HydrophobicContact CD2-CG2 4.42Å; Y383-T550 HydrophobicContact CE1-CG2 4.32Å; Y383-T550 HydrophobicContact CG-CG2 3.68Å; Y383-M553 HydrophobicContact CE2-CB 4.42Å; Y383-M553 HydrophobicContact CE2-CG 4.39Å; Y383-M553 WeakPolarHBondContact OH-CG 3.11Å; Y383-L554 HydrophobicContact CD2-CD2 3.94Å; Y383-L554 HydrophobicContact CD2-CG 4.28Å; Y383-L554 HydrophobicContact CE2-CD2 4.41Å
384	Y	90.3	Very high	87.6	Confident	47 Å²	47	55 Å²	55	18%	0.184	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-49.5	171.2	179.3	-90.1	0	0	0	111.2	K369 L372 K373 L380 R381 S386 L387 E388	K369-Y384 HydrophobicContact CD-CE2 4.48Å; K369-Y384 WeakPolarHBondContact CE-OH 3.19Å; K369-Y384 HydrophobicContact CG-CD2 4.09Å; K369-Y384 HydrophobicContact CG-CE2 3.59Å; K369-Y384 WeakPolarHBondContact O-CE2 3.29Å; L372-Y384 HydrophobicContact CB-CD2 4.15Å; K373-Y384 HydrophobicContact CB-CD2 4.46Å; K373-Y384 HydrophobicContact CB-CE2 3.86Å; K373-Y384 HydrophobicContact CG-CE2 4.09Å; L380-Y384 PolarHBondContact O-N 2.99Å; R381-Y384 PolarHBondContact O-N 3.21Å; Y384-S386 VanDerWaalsContact C-N 3.31Å; Y384-S386 PolarHBondContact O-N 2.98Å; Y384-L387 CarbonylContact O-C 3.51Å; Y384-L387 PolarHBondContact O-N 3.42Å; Y384-E388 HydrophobicContact CD1-CG 4.02Å; Y384-E388 HydrophobicContact CE1-CG 3.69Å; Y384-E388 WeakPolarHBondContact CE1-OE2 3.49Å; Y384-E388 WeakPolarHBondContact O-CG 3.41Å; Y384-E388 PolarHBondContact O-N 3.1Å; Y384-E388 VanDerWaalsContact O-N 3.12Å; Y384-E388 PolarHBondContact OH-OE1 3.38Å
385	G	87.1	Confident	87.7	Confident	43 Å²	43	48 Å²	48	44%	0.443	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-36.1	176.1	0	0	0	0	0	113.9	R381 A382 Y383 L387 E388	R381-G385 PolarHBondContact O-N 3.4Å; A382-G385 PolarHBondContact O-N 3.1Å; Y383-G385 PolarHBondContact O-N 2.76Å; G385-L387 VanDerWaalsContact C-N 3.3Å; G385-L387 PolarHBondContact O-N 3.35Å; G385-E388 PolarHBondContact O-N 2.96Å
386	S	85.6	Confident	87.7	Confident	34 Å²	34	48.7 Å²	48.7	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-33.7	173.1	-169.4	0	0	0	0	112.5	A382 Y383 Y384	A382-S386 WeakPolarHBondContact O-CB 3.19Å; A382-S386 PolarHBondContact O-N 3.17Å; Y383-S386 WeakPolarHBondContact O-CB 3.47Å; Y383-S386 PolarHBondContact O-N 3.45Å; Y384-S386 VanDerWaalsContact C-N 3.31Å; Y384-S386 PolarHBondContact O-N 2.98Å
387	L	86.5	Confident	87.8	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-83.6	-10.4	178	-62.7	168.9	0	0	0	113.6	V365 L368 L372 Y383 Y384 G385 D389 L547	V365-L387 HydrophobicContact CG1-CD2 4.24Å; L368-L387 HydrophobicContact CD2-CD1 3.86Å; L368-L387 HydrophobicContact CD2-CD2 4.31Å; L368-L387 HydrophobicContact CG-CD1 3.88Å; L372-L387 HydrophobicContact CD1-CD1 3.62Å; Y383-L387 VanDerWaalsContact O-CG 3.28Å; Y383-L387 WeakPolarHBondContact O-CG 3.31Å; Y383-L387 PolarHBondContact O-N 3.04Å; Y384-L387 CarbonylContact O-C 3.51Å; Y384-L387 PolarHBondContact O-N 3.42Å; G385-L387 VanDerWaalsContact C-N 3.3Å; G385-L387 PolarHBondContact O-N 3.35Å; L387-D389 PolarHBondContact O-N 3.07Å; L387-L547 HydrophobicContact CD2-CD1 3.52Å
388	E	86.9	Confident	87.5	Confident	99 Å²	99	51.9 Å²	51.9	46%	0.463	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1	174.2	-60.2	-136.4	94.3	0	0	113.8	K369 Y384 G385 H390	K369-E388 WeakPolarHBondContact CE-OE1 3.42Å; K369-E388 IonicContact NZ-OE1 2.74Å; K369-E388 PolarHBondContact NZ-OE1 3.33Å; Y384-E388 HydrophobicContact CD1-CG 4.02Å; Y384-E388 HydrophobicContact CE1-CG 3.69Å; Y384-E388 WeakPolarHBondContact CE1-OE2 3.49Å; Y384-E388 WeakPolarHBondContact O-CG 3.41Å; Y384-E388 PolarHBondContact O-N 3.1Å; Y384-E388 VanDerWaalsContact O-N 3.12Å; Y384-E388 PolarHBondContact OH-OE1 3.38Å; G385-E388 PolarHBondContact O-N 2.96Å; E388-H390 PolarHBondContact O-N 3.12Å; E388-H390 VanDerWaalsContact O-N 3.12Å
389	D	85.7	Confident	87.3	Confident	27 Å²	27	48.4 Å²	48.4	14%	0.144	26%	0.256	C	S	.	.			trans	-64.9	112	-176.3	-168.8	-12.5	0	0	0	112.8	L387 R391 F392 H542	L387-D389 PolarHBondContact O-N 3.07Å; D389-R391 PolarHBondContact O-N 3.11Å; D389-R391 WeakPolarHBondContact OD1-CB 3.48Å; D389-R391 WeakPolarHBondContact OD1-CG 3.43Å; D389-R391 IonicContact OD1-CZ 2.71Å; D389-R391 PolarHBondContact OD1-N 2.83Å; D389-R391 IonicContact OD1-NE 3.68Å; D389-R391 PolarHBondContact OD1-NE 3.17Å; D389-R391 VanDerWaalsContact OD1-NE 3.11Å; D389-R391 IonicContact OD1-NH2 3.95Å; D389-R391 IonicContact OD2-CZ 3.93Å; D389-R391 IonicContact OD2-NE 3.98Å; D389-R391 PolarHBondContact OD2-NE 3.1Å; D389-R391 IonicContact OD2-NH2 2.71Å; D389-R391 PolarHBondContact OD2-NH2 2.88Å; D389-F392 HydrophobicContact CB-CD2 4.02Å; D389-F392 HydrophobicContact CB-CE2 3.94Å; D389-F392 WeakPolarHBondContact O-CD2 3.38Å; D389-F392 PolarHBondContact O-N 3.37Å; D389-H542 IonicContact OD2-CE1 2.63Å
390	H	86.5	Confident	87.1	Confident	131 Å²	131	49.8 Å²	49.8	61%	0.606	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-25.5	173.8	71.2	-46.9	0	0	0	115.1	E388 F392 G393 L394	E388-H390 PolarHBondContact O-N 3.12Å; E388-H390 VanDerWaalsContact O-N 3.12Å; H390-F392 PolarHBondContact O-N 2.81Å; H390-G393 PolarHBondContact O-N 3.15Å; H390-G393 VanDerWaalsContact O-N 3.1Å; H390-L394 PolarHBondContact O-N 3.33Å; H390-L394 VanDerWaalsContact O-N 3.12Å
391	R	86.4	Confident	86.8	Confident	62 Å²	62	54.1 Å²	54.1	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-29.4	176.1	-71.6	175.9	-77.7	-172.9	3.6	112.6	E195 D389 I395 H542 C543	E195-R391 IonicContact OE1-CZ 2.77Å; E195-R391 IonicContact OE1-NH1 3.14Å; E195-R391 PolarHBondContact OE1-NH1 3.01Å; E195-R391 IonicContact OE1-NH2 2.68Å; D389-R391 PolarHBondContact O-N 3.11Å; D389-R391 WeakPolarHBondContact OD1-CB 3.48Å; D389-R391 WeakPolarHBondContact OD1-CG 3.43Å; D389-R391 IonicContact OD1-CZ 2.71Å; D389-R391 PolarHBondContact OD1-N 2.83Å; D389-R391 IonicContact OD1-NE 3.68Å; D389-R391 PolarHBondContact OD1-NE 3.17Å; D389-R391 VanDerWaalsContact OD1-NE 3.11Å; D389-R391 IonicContact OD1-NH2 3.95Å; D389-R391 IonicContact OD2-CZ 3.93Å; D389-R391 IonicContact OD2-NE 3.98Å; D389-R391 PolarHBondContact OD2-NE 3.1Å; D389-R391 IonicContact OD2-NH2 2.71Å; D389-R391 PolarHBondContact OD2-NH2 2.88Å; R391-I395 WeakPolarHBondContact O-CD1 3.28Å; R391-I395 VanDerWaalsContact O-CG1 3.23Å; R391-I395 WeakPolarHBondContact O-CG1 3.31Å; R391-I395 PolarHBondContact O-N 2.79Å; R391-H542 PolarHBondContact NE-CE1 3.25Å; R391-H542 PolarHBondContact NH1-CE1 2.91Å; R391-H542 PolarHBondContact NH1-ND1 2.86Å; R391-H542 PolarHBondContact NH2-CE1 2.88Å; R391-H542 PolarHBondContact NH2-NE2 2.82Å; R391-C543 HydrophobicContact CB-CB 4.48Å
392	F	86.8	Confident	86.3	Confident	12 Å²	12	48.8 Å²	48.8	5%	0.053	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-43.4	173.4	-64.7	-62	0	0	0	112.4	L362 V365 D389 H390 L396 C543 L544 L547	L362-F392 HydrophobicContact CD2-CB 4.21Å; L362-F392 HydrophobicContact CD2-CD1 3.75Å; L362-F392 HydrophobicContact CD2-CG 4.45Å; V365-F392 HydrophobicContact CG1-CD2 4.19Å; V365-F392 HydrophobicContact CG1-CG 4.28Å; V365-F392 HydrophobicContact CG2-CD1 4.47Å; D389-F392 HydrophobicContact CB-CD2 4.02Å; D389-F392 HydrophobicContact CB-CE2 3.94Å; D389-F392 WeakPolarHBondContact O-CD2 3.38Å; D389-F392 PolarHBondContact O-N 3.37Å; H390-F392 PolarHBondContact O-N 2.81Å; F392-L396 WeakPolarHBondContact O-CB 3.32Å; F392-L396 PolarHBondContact O-N 3.35Å; F392-C543 HydrophobicContact CD1-CB 4.18Å; F392-C543 HydrophobicContact CE1-CB 3.63Å; F392-C543 WeakPolarHBondContact CE1-O 3.38Å; F392-C543 HydrophobicContact CE2-CB 4.34Å; F392-C543 HydrophobicContact CZ-CB 3.71Å; F392-C543 VanDerWaalsContact CZ-O 3.32Å; F392-C543 WeakPolarHBondContact CZ-O 3.26Å; F392-L544 HydrophobicContact CD1-CD2 4.33Å; F392-L544 HydrophobicContact CE1-CD2 4.23Å; F392-L547 HydrophobicContact CE1-CB 3.94Å; F392-L547 HydrophobicContact CE1-CD2 4Å; F392-L547 HydrophobicContact CZ-CB 3.96Å
393	G	85.6	Confident	85.8	Confident	34 Å²	34	46 Å²	46	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-47.6	176.2	0	0	0	0	0	111.9	H390 I395 L396 D397	H390-G393 PolarHBondContact O-N 3.15Å; H390-G393 VanDerWaalsContact O-N 3.1Å; G393-I395 VanDerWaalsContact C-N 3.33Å; G393-I395 PolarHBondContact O-N 3.07Å; G393-L396 PolarHBondContact O-N 2.97Å; G393-L396 VanDerWaalsContact O-N 3.11Å; G393-D397 PolarHBondContact O-N 3.02Å
394	L	87.7	Confident	85.2	Confident	81 Å²	81	47 Å²	47	42%	0.424	25%	0.254	S	S	.	.	H	α-helix	trans	-57.4	-42.2	177.5	-67.2	173.5	0	0	0	112.8	H390 K398	H390-L394 PolarHBondContact O-N 3.33Å; H390-L394 VanDerWaalsContact O-N 3.12Å; L394-K398 WeakPolarHBondContact O-CB 3.49Å; L394-K398 WeakPolarHBondContact O-CG 3.45Å; L394-K398 PolarHBondContact O-N 3.46Å; L394-K398 VanDerWaalsContact O-N 3.09Å
395	I	86.4	Confident	83.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-43.7	175.8	-63.8	164.3	0	0	0	110.6	L362 R391 G393 D397 K398 I399 I537 H540 C543	L362-I395 HydrophobicContact CD1-CB 4.2Å; L362-I395 HydrophobicContact CD1-CG2 3.54Å; R391-I395 WeakPolarHBondContact O-CD1 3.28Å; R391-I395 VanDerWaalsContact O-CG1 3.23Å; R391-I395 WeakPolarHBondContact O-CG1 3.31Å; R391-I395 PolarHBondContact O-N 2.79Å; G393-I395 VanDerWaalsContact C-N 3.33Å; G393-I395 PolarHBondContact O-N 3.07Å; I395-D397 VanDerWaalsContact C-N 3.34Å; I395-D397 PolarHBondContact O-N 3.2Å; I395-K398 PolarHBondContact O-N 3.35Å; I395-I399 HydrophobicContact CG2-CD1 3.82Å; I395-I399 HydrophobicContact CG2-CG1 4.45Å; I395-I399 VanDerWaalsContact O-CB 3.32Å; I395-I399 WeakPolarHBondContact O-CB 3.27Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.36Å; I395-I399 PolarHBondContact O-N 3Å; I395-I537 HydrophobicContact CG2-CD1 4.23Å; I395-I537 HydrophobicContact CG2-CG1 4.16Å; I395-I537 HydrophobicContact CG2-CG2 4.05Å; I395-H540 HydrophobicContact CD1-CB 3.82Å; I395-H540 HydrophobicContact CG1-CB 4.06Å; I395-C543 VanDerWaalsContact CD1-SG 3.53Å
396	L	86.8	Confident	82.8	Confident	25 Å²	25	50.6 Å²	50.6	13%	0.131	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-38.5	-179.9	-177.9	58.2	0	0	0	112.2	K359 L362 E363 F392 G393 I399 K400	K359-L396 HydrophobicContact CG-CD1 4.48Å; L362-L396 HydrophobicContact CB-CB 4.33Å; L362-L396 HydrophobicContact CB-CD1 4.01Å; L362-L396 HydrophobicContact CD1-CB 4.46Å; E363-L396 HydrophobicContact CG-CD1 4.11Å; F392-L396 WeakPolarHBondContact O-CB 3.32Å; F392-L396 PolarHBondContact O-N 3.35Å; G393-L396 PolarHBondContact O-N 2.97Å; G393-L396 VanDerWaalsContact O-N 3.11Å; L396-I399 WeakPolarHBondContact O-CB 3.23Å; L396-I399 PolarHBondContact O-N 3.45Å; L396-K400 HydrophobicContact CD1-CD 4.45Å; L396-K400 HydrophobicContact CD1-CG 4.45Å; L396-K400 HydrophobicContact CG-CD 4.24Å; L396-K400 WeakPolarHBondContact O-CB 3.36Å; L396-K400 WeakPolarHBondContact O-CG 3.47Å; L396-K400 PolarHBondContact O-N 3.2Å
397	D	87.4	Confident	81.6	Confident	96 Å²	96	49 Å²	49	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-72.9	-41.3	178	-71.3	-21	0	0	0	111.9	G393 I395 I399 K400 T401	G393-D397 PolarHBondContact O-N 3.02Å; I395-D397 VanDerWaalsContact C-N 3.34Å; I395-D397 PolarHBondContact O-N 3.2Å; D397-I399 PolarHBondContact O-N 3.12Å; D397-K400 PolarHBondContact O-N 2.86Å; D397-K400 VanDerWaalsContact O-N 3.14Å; D397-T401 WeakPolarHBondContact O-CG2 3.43Å; D397-T401 PolarHBondContact O-N 3.35Å; D397-T401 PolarHBondContact O-OG1 3Å
398	K	85.4	Confident	80.6	Confident	62 Å²	62	56.1 Å²	56.1	27%	0.27	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-33.6	169	-76.2	-168.8	179.6	-160.7	0	112.6	L394 I395 T401 L533 E536	L394-K398 WeakPolarHBondContact O-CB 3.49Å; L394-K398 WeakPolarHBondContact O-CG 3.45Å; L394-K398 PolarHBondContact O-N 3.46Å; L394-K398 VanDerWaalsContact O-N 3.09Å; I395-K398 PolarHBondContact O-N 3.35Å; K398-T401 PolarHBondContact O-OG1 3.14Å; K398-L533 HydrophobicContact CB-CD1 4.06Å; K398-L533 WeakPolarHBondContact O-CD1 3.4Å; K398-E536 HydrophobicContact CD-CB 4.42Å; K398-E536 WeakPolarHBondContact CE-OE2 3.41Å; K398-E536 IonicContact NZ-OE2 2.74Å; K398-E536 PolarHBondContact NZ-OE2 3.16Å
399	I	85.3	Confident	79.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.1	-44.8	173.6	-81.2	174.1	0	0	0	110.9	L355 L358 K359 L362 I395 L396 D397 V402 I403 L533 I537	L355-I399 HydrophobicContact CD1-CG1 4.48Å; L358-I399 HydrophobicContact CD2-CD1 3.86Å; L358-I399 HydrophobicContact CG-CD1 3.83Å; K359-I399 HydrophobicContact CB-CG2 3.7Å; K359-I399 HydrophobicContact CD-CG2 4.21Å; K359-I399 HydrophobicContact CG-CG2 3.77Å; L362-I399 HydrophobicContact CD1-CD1 3.76Å; I395-I399 HydrophobicContact CG2-CD1 3.82Å; I395-I399 HydrophobicContact CG2-CG1 4.45Å; I395-I399 VanDerWaalsContact O-CB 3.32Å; I395-I399 WeakPolarHBondContact O-CB 3.27Å; I395-I399 VanDerWaalsContact O-CG1 3.31Å; I395-I399 WeakPolarHBondContact O-CG1 3.36Å; I395-I399 PolarHBondContact O-N 3Å; L396-I399 WeakPolarHBondContact O-CB 3.23Å; L396-I399 PolarHBondContact O-N 3.45Å; D397-I399 PolarHBondContact O-N 3.12Å; I399-V402 PolarHBondContact O-N 2.88Å; I399-I403 HydrophobicContact CG2-CD1 3.79Å; I399-I403 HydrophobicContact CG2-CG1 4.4Å; I399-I403 VanDerWaalsContact O-CB 3.28Å; I399-I403 WeakPolarHBondContact O-CB 3.43Å; I399-I403 WeakPolarHBondContact O-CG1 3.42Å; I399-I403 PolarHBondContact O-N 3.07Å; I399-L533 HydrophobicContact CG1-CD2 4.46Å; I399-I537 HydrophobicContact CD1-CD1 4.09Å; I399-I537 HydrophobicContact CG1-CD1 3.89Å
400	K	84.2	Confident	78.1	Confident	60 Å²	60	58.4 Å²	58.4	26%	0.261	29%	0.289	S	S	.	.	H	α-helix	trans	-70.2	-30.3	179.8	-75.8	171.1	179.3	169.2	0	113.9	L396 D397 V402 I403 R425	L396-K400 HydrophobicContact CD1-CD 4.45Å; L396-K400 HydrophobicContact CD1-CG 4.45Å; L396-K400 HydrophobicContact CG-CD 4.24Å; L396-K400 WeakPolarHBondContact O-CB 3.36Å; L396-K400 WeakPolarHBondContact O-CG 3.47Å; L396-K400 PolarHBondContact O-N 3.2Å; D397-K400 PolarHBondContact O-N 2.86Å; D397-K400 VanDerWaalsContact O-N 3.14Å; K400-V402 PolarHBondContact O-N 3.01Å; K400-I403 VanDerWaalsContact O-O 3.13Å; K400-R425 PolarHBondContact O-NE 3.05Å; K400-R425 PolarHBondContact O-NH1 3.32Å; K400-R425 PolarHBondContact O-NH2 3.01Å
401	T	83.5	Confident	76.3	Confident	90 Å²	90	60.4 Å²	60.4	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-64.5	-32	174	52.2	0	0	0	0	111.8	D397 K398	D397-T401 WeakPolarHBondContact O-CG2 3.43Å; D397-T401 PolarHBondContact O-N 3.35Å; D397-T401 PolarHBondContact O-OG1 3Å; K398-T401 PolarHBondContact O-OG1 3.14Å
402	V	79.7	Confident	74.5	Confident	23 Å²	23	59.5 Å²	59.5	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-96.1	-38.1	-177.1	-180	0	0	0	0	113.5	I399 K400 V424 R425 I428 I529 L533	I399-V402 PolarHBondContact O-N 2.88Å; K400-V402 PolarHBondContact O-N 3.01Å; V402-V424 HydrophobicContact CG1-CG1 4.38Å; V402-V424 HydrophobicContact CG1-CG2 4.26Å; V402-V424 CarbonylContact O-C 3.49Å; V402-V424 VanDerWaalsContact O-CA 3.27Å; V402-V424 WeakPolarHBondContact O-CA 3.28Å; V402-R425 PolarHBondContact O-N 2.81Å; V402-I428 HydrophobicContact CB-CD1 4.47Å; V402-I428 HydrophobicContact CG1-CD1 4.38Å; V402-I428 VanDerWaalsContact O-CD1 3.31Å; V402-I428 WeakPolarHBondContact O-CD1 3.36Å; V402-I529 HydrophobicContact CG1-CG2 3.85Å; V402-L533 HydrophobicContact CB-CD2 3.93Å; V402-L533 HydrophobicContact CG1-CD2 4.05Å; V402-L533 HydrophobicContact CG2-CD1 4.24Å; V402-L533 HydrophobicContact CG2-CD2 4.16Å
403	I	78.9	Confident	72.9	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-100.4	140.3	-173.6	-54.2	-178.1	0	0	0	110.4	L355 K359 I399 K400 A407 A423 R425	L355-I403 HydrophobicContact CB-CD1 4.5Å; L355-I403 HydrophobicContact CD1-CD1 4.46Å; L355-I403 HydrophobicContact CD2-CD1 3.36Å; L355-I403 HydrophobicContact CD2-CG1 4.06Å; L355-I403 HydrophobicContact CG-CD1 3.49Å; L355-I403 VanDerWaalsContact CG-CD1 3.49Å; K359-I403 HydrophobicContact CD-CG2 4.17Å; I399-I403 HydrophobicContact CG2-CD1 3.79Å; I399-I403 HydrophobicContact CG2-CG1 4.4Å; I399-I403 VanDerWaalsContact O-CB 3.28Å; I399-I403 WeakPolarHBondContact O-CB 3.43Å; I399-I403 WeakPolarHBondContact O-CG1 3.42Å; I399-I403 PolarHBondContact O-N 3.07Å; K400-I403 VanDerWaalsContact O-O 3.13Å; I403-A407 HydrophobicContact CG2-CB 3.59Å; I403-A423 CarbonylContact C-O 3.23Å; I403-A423 VanDerWaalsContact CA-O 3.26Å; I403-A423 WeakPolarHBondContact CA-O 3.42Å; I403-A423 WeakPolarHBondContact CG2-O 3.48Å; I403-R425 PolarHBondContact O-NE 2.95Å
404	N	76.3	Confident	71.5	Confident	52 Å²	52	65.6 Å²	65.6	28%	0.278	34%	0.337	S	S	.	.			trans	-66	145.8	175.6	-166.6	19.9	0	0	0	111.6	K359 D406 A407 A423 R425	K359-N404 PolarHBondContact NZ-O 2.59Å; N404-D406 VanDerWaalsContact C-N 3.29Å; N404-D406 PolarHBondContact ND2-OD2 3.49Å; N404-D406 PolarHBondContact O-N 2.83Å; N404-A407 WeakPolarHBondContact O-CB 3.38Å; N404-A407 PolarHBondContact O-N 3.23Å; N404-A423 PolarHBondContact N-O 3.3Å; N404-R425 HydrophobicContact CB-CG 4.14Å
405	D	63.7	Low	70.2	Confident	60 Å²	60	65.1 Å²	65.1	32%	0.321	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-31	-177.6	-69.1	-72	0	0	0	112.1	K359 A407 R425	K359-D405 PolarHBondContact NZ-O 3.05Å; D405-A407 PolarHBondContact O-N 2.88Å; D405-R425 IonicContact OD2-CZ 3.68Å; D405-R425 IonicContact OD2-NE 3.94Å; D405-R425 IonicContact OD2-NH2 2.68Å; D405-R425 PolarHBondContact OD2-NH2 2.93Å
406	D	62.9	Low	69.1	Low	107 Å²	107	66.4 Å²	66.4	57%	0.572	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.4	172.3	-58	-50.3	0	0	0	114	N404 R408 Q419	N404-D406 VanDerWaalsContact C-N 3.29Å; N404-D406 PolarHBondContact ND2-OD2 3.49Å; N404-D406 PolarHBondContact O-N 2.83Å; D406-R408 PolarHBondContact O-N 2.97Å; D406-Q419 PolarHBondContact O-NE2 2.84Å; D406-Q419 PolarHBondContact O-OE1 3.12Å
407	A	61.5	Low	68.1	Low	1 Å²	1	66.9 Å²	66.9	1%	0.008	34%	0.342	C	S	.	.			trans	-68.8	94.4	174.9	0	0	0	0	0	109.8	K359 I403 N404 D405	K359-A407 PolarHBondContact NZ-O 3.2Å; I403-A407 HydrophobicContact CG2-CB 3.59Å; N404-A407 WeakPolarHBondContact O-CB 3.38Å; N404-A407 PolarHBondContact O-N 3.23Å; D405-A407 PolarHBondContact O-N 2.88Å
408	R	64.4	Low	67	Low	153 Å²	153	65 Å²	65	58%	0.577	33%	0.334	S	S	*	.			trans	-130.2	152.5	-175.5	-64.7	-176.5	-177.5	-167.3	-0.5	110.7	D406 M410	D406-R408 PolarHBondContact O-N 2.97Å; R408-M410 PolarHBondContact O-N 2.9Å
409	Y	59.4	Low	66	Low	85 Å²	85	63.3 Å²	63.3	33%	0.333	33%	0.327	S	S	.	.			trans	-67.2	115.5	173.7	176.8	-118.3	0	0	0	111	Y357 K411 M416	Y357-Y409 HydrophobicContact CD1-CD2 4.42Å; Y357-Y409 AromaticContact CE1-CD2 3.56Å; Y357-Y409 HydrophobicContact CE1-CD2 3.56Å; Y357-Y409 AromaticContact CE1-CE2 3.93Å; Y357-Y409 HydrophobicContact CE1-CE2 3.93Å; Y357-Y409 HydrophobicContact CE1-CG 4.22Å; Y409-K411 HydrophobicContact CE1-CG 4.24Å; Y409-M416 HydrophobicContact CD2-CE 3.68Å; Y409-M416 HydrophobicContact CE2-CE 4.07Å
410	M	60.8	Low	65	Low	89 Å²	89	64 Å²	64	44%	0.438	33%	0.33	S	S	.	.			trans	-127	132.2	175.2	-63.1	-177.8	76.7	0	0	109.9	R408 N415 M416	R408-M410 PolarHBondContact O-N 2.9Å; M410-N415 HydrophobicContact CB-CB 4.26Å; M410-M416 VanDerWaalsContact O-CE 3.28Å; M410-M416 WeakPolarHBondContact O-CE 3.4Å
411	K	49.4	Very low	64	Low	174 Å²	174	61.2 Å²	61.2	76%	0.757	32%	0.318	S	S	*	.	S	Bend	trans	-72.8	133.5	176	-67	-179.3	179.8	177.2	0	110	Y409	Y409-K411 HydrophobicContact CE1-CG 4.24Å
412	G	48.3	Very low	63.3	Low	42 Å²	42	60.8 Å²	60.8	43%	0.433	31%	0.307	S	S	.	.	S	Bend	trans	126.7	133.1	177.5	0	0	0	0	0	113	L414 N415 M416	G412-L414 PolarHBondContact O-N 3.15Å; G412-N415 PolarHBondContact O-N 3.24Å; G412-M416 VanDerWaalsContact O-CB 3.27Å; G412-M416 WeakPolarHBondContact O-CB 3.49Å; G412-M416 PolarHBondContact O-N 3.02Å
413	C	52.9	Low	62.9	Low	96 Å²	96	59.9 Å²	59.9	65%	0.649	30%	0.302	S	S	*	.	H	α-helix	trans	-63.2	-38.7	-168	-53.1	0	0	0	0	114.1	R417	C413-R417 WeakPolarHBondContact O-CB 3.2Å; C413-R417 PolarHBondContact O-N 2.79Å
414	L	56.3	Low	62.8	Low	79 Å²	79	60 Å²	60	41%	0.414	30%	0.302	S	S	.	.	H	α-helix	trans	-72.7	-47	179.5	-170.6	133.8	0	0	0	111.2	G412 M416 R417 T418 F465	G412-L414 PolarHBondContact O-N 3.15Å; L414-M416 VanDerWaalsContact C-N 3.3Å; L414-M416 PolarHBondContact O-N 2.83Å; L414-R417 PolarHBondContact O-N 2.89Å; L414-R417 VanDerWaalsContact O-N 3.11Å; L414-T418 PolarHBondContact O-N 2.89Å; L414-T418 PolarHBondContact O-OG1 2.84Å; L414-F465 HydrophobicContact CD1-CB 3.67Å; L414-F465 HydrophobicContact CD1-CD1 4.2Å; L414-F465 HydrophobicContact CD1-CG 4Å
415	N	61.3	Low	62.8	Low	70 Å²	70	61.6 Å²	61.6	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-55.4	-46.3	174.5	-60.7	-5.7	0	0	0	111.2	M410 G412 R417 T418 Q419	M410-N415 HydrophobicContact CB-CB 4.26Å; G412-N415 PolarHBondContact O-N 3.24Å; N415-R417 VanDerWaalsContact C-N 3.34Å; N415-R417 PolarHBondContact O-N 2.75Å; N415-T418 PolarHBondContact O-N 2.74Å; N415-Q419 WeakPolarHBondContact O-CB 3.42Å; N415-Q419 VanDerWaalsContact O-CG 3.24Å; N415-Q419 WeakPolarHBondContact O-CG 3.49Å; N415-Q419 PolarHBondContact O-N 2.93Å
416	M	62.2	Low	63.1	Low	29 Å²	29	62.5 Å²	62.5	14%	0.143	32%	0.315	C	S	.	.	H	α-helix	trans	-67.4	-30.6	179.3	-174.1	48.7	52.9	0	0	113	T353 Y409 M410 G412 L414 K420	T353-M416 HydrophobicContact CG2-SD 4.28Å; Y409-M416 HydrophobicContact CD2-CE 3.68Å; Y409-M416 HydrophobicContact CE2-CE 4.07Å; M410-M416 VanDerWaalsContact O-CE 3.28Å; M410-M416 WeakPolarHBondContact O-CE 3.4Å; G412-M416 VanDerWaalsContact O-CB 3.27Å; G412-M416 WeakPolarHBondContact O-CB 3.49Å; G412-M416 PolarHBondContact O-N 3.02Å; L414-M416 VanDerWaalsContact C-N 3.3Å; L414-M416 PolarHBondContact O-N 2.83Å; M416-K420 WeakPolarHBondContact O-CE 3.44Å; M416-K420 VanDerWaalsContact O-CG 3.31Å; M416-K420 WeakPolarHBondContact O-CG 3.5Å; M416-K420 PolarHBondContact O-N 2.95Å; M416-K420 VanDerWaalsContact SD-CE 3.53Å
417	R	65.4	Low	63.6	Low	35 Å²	35	64.8 Å²	64.8	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-49.6	170.3	170.7	169.6	151.4	155.1	-9.9	111.2	C413 L414 N415 Q419 K420 C421 Y439 C515	C413-R417 WeakPolarHBondContact O-CB 3.2Å; C413-R417 PolarHBondContact O-N 2.79Å; L414-R417 PolarHBondContact O-N 2.89Å; L414-R417 VanDerWaalsContact O-N 3.11Å; N415-R417 VanDerWaalsContact C-N 3.34Å; N415-R417 PolarHBondContact O-N 2.75Å; R417-Q419 VanDerWaalsContact C-N 3.33Å; R417-Q419 PolarHBondContact O-N 2.94Å; R417-K420 PolarHBondContact O-N 2.79Å; R417-K420 VanDerWaalsContact O-N 3.12Å; R417-C421 PolarHBondContact O-N 2.84Å; R417-C421 VanDerWaalsContact O-N 3.09Å; R417-C421 PolarHBondContact O-SG 2.67Å; R417-Y439 PolarHBondContact NE-OH 2.82Å; R417-Y439 PolarHBondContact NH2-OH 3.04Å; R417-C515 PolarHBondContact NH2-SG 3.39Å
418	T	65.1	Low	64.4	Low	56 Å²	56	68 Å²	68	34%	0.344	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-45.5	176.7	-56.9	0	0	0	0	111.6	L414 N415 K420 C421 Y422	L414-T418 PolarHBondContact O-N 2.89Å; L414-T418 PolarHBondContact O-OG1 2.84Å; N415-T418 PolarHBondContact O-N 2.74Å; T418-K420 VanDerWaalsContact C-N 3.27Å; T418-K420 PolarHBondContact O-N 2.8Å; T418-C421 WeakPolarHBondContact O-CB 3.5Å; T418-C421 PolarHBondContact O-N 3.23Å; T418-C421 VanDerWaalsContact O-N 3.15Å; T418-Y422 HydrophobicContact CG2-CD2 3.84Å; T418-Y422 HydrophobicContact CG2-CE2 4.21Å; T418-Y422 WeakPolarHBondContact O-CD2 3.49Å; T418-Y422 PolarHBondContact O-N 2.77Å
419	Q	64.4	Low	65.2	Low	27 Å²	27	62.2 Å²	62.2	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-26.5	178.6	-71.2	-70.1	17.5	0	0	113.6	D406 N415 R417 A423	D406-Q419 PolarHBondContact O-NE2 2.84Å; D406-Q419 PolarHBondContact O-OE1 3.12Å; N415-Q419 WeakPolarHBondContact O-CB 3.42Å; N415-Q419 VanDerWaalsContact O-CG 3.24Å; N415-Q419 WeakPolarHBondContact O-CG 3.49Å; N415-Q419 PolarHBondContact O-N 2.93Å; R417-Q419 VanDerWaalsContact C-N 3.33Å; R417-Q419 PolarHBondContact O-N 2.94Å; Q419-A423 WeakPolarHBondContact O-CA 3.47Å; Q419-A423 WeakPolarHBondContact O-CB 3.07Å; Q419-A423 PolarHBondContact O-N 2.78Å; Q419-A423 VanDerWaalsContact O-N 3.16Å
420	K	64	Low	66.2	Low	15 Å²	15	65.5 Å²	65.5	7%	0.065	35%	0.345	C	S	.	.	H	α-helix	trans	-78.1	-37.4	171.9	-69.3	177.4	-146.5	-167.2	0	112.7	E349 I352 T353 M416 R417 T418 Y422 Y523	E349-K420 HydrophobicContact CG-CD 3.47Å; E349-K420 VanDerWaalsContact CG-CD 3.47Å; E349-K420 IonicContact OE1-NZ 3.26Å; E349-K420 PolarHBondContact OE1-NZ 3.02Å; I352-K420 HydrophobicContact CG2-CB 4.22Å; I352-K420 HydrophobicContact CG2-CG 4.13Å; T353-K420 WeakPolarHBondContact OG1-CE 3.35Å; T353-K420 PolarHBondContact OG1-NZ 3.31Å; M416-K420 WeakPolarHBondContact O-CE 3.44Å; M416-K420 VanDerWaalsContact O-CG 3.31Å; M416-K420 WeakPolarHBondContact O-CG 3.5Å; M416-K420 PolarHBondContact O-N 2.95Å; M416-K420 VanDerWaalsContact SD-CE 3.53Å; R417-K420 PolarHBondContact O-N 2.79Å; R417-K420 VanDerWaalsContact O-N 3.12Å; T418-K420 VanDerWaalsContact C-N 3.27Å; T418-K420 PolarHBondContact O-N 2.8Å; K420-Y422 VanDerWaalsContact C-N 3.33Å; K420-Y422 PolarHBondContact O-N 2.65Å; K420-Y523 HydrophobicContact CB-CE1 3.87Å
421	C	62.9	Low	67.3	Low	1 Å²	1	68.4 Å²	68.4	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-42.2	176.6	-56.9	0	0	0	0	111.4	R417 T418 R436 L519	R417-C421 PolarHBondContact O-N 2.84Å; R417-C421 VanDerWaalsContact O-N 3.09Å; R417-C421 PolarHBondContact O-SG 2.67Å; T418-C421 WeakPolarHBondContact O-CB 3.5Å; T418-C421 PolarHBondContact O-N 3.23Å; T418-C421 VanDerWaalsContact O-N 3.15Å; C421-R436 PolarHBondContact O-NE 2.64Å; C421-R436 PolarHBondContact O-NH2 2.63Å; C421-L519 WeakPolarHBondContact SG-CD2 3.28Å
422	Y	69.6	Low	69	Low	81 Å²	81	60.1 Å²	60.1	32%	0.318	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	19.7	-176.2	-61.6	-67.2	0	0	0	113.8	T418 K420 R436 T440	T418-Y422 HydrophobicContact CG2-CD2 3.84Å; T418-Y422 HydrophobicContact CG2-CE2 4.21Å; T418-Y422 WeakPolarHBondContact O-CD2 3.49Å; T418-Y422 PolarHBondContact O-N 2.77Å; K420-Y422 VanDerWaalsContact C-N 3.33Å; K420-Y422 PolarHBondContact O-N 2.65Å; Y422-R436 HydrophobicContact CE1-CB 4.2Å; Y422-R436 HydrophobicContact CE1-CG 4.14Å; Y422-T440 PolarHBondContact OH-OG1 3.1Å
423	A	70.6	Confident	70.7	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.033	31%	0.308	C	S	.	.			trans	-60	-53.2	179.9	0	0	0	0	0	112.1	I352 I356 I403 N404 Q419	I352-A423 HydrophobicContact CG2-CB 3.91Å; I356-A423 HydrophobicContact CD1-CB 4.22Å; I403-A423 CarbonylContact C-O 3.23Å; I403-A423 VanDerWaalsContact CA-O 3.26Å; I403-A423 WeakPolarHBondContact CA-O 3.42Å; I403-A423 WeakPolarHBondContact CG2-O 3.48Å; N404-A423 PolarHBondContact N-O 3.3Å; Q419-A423 WeakPolarHBondContact O-CA 3.47Å; Q419-A423 WeakPolarHBondContact O-CB 3.07Å; Q419-A423 PolarHBondContact O-N 2.78Å; Q419-A423 VanDerWaalsContact O-N 3.16Å
424	V	77.6	Confident	72.2	Confident	3 Å²	3	60 Å²	60	2%	0.018	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-78	138.2	178.9	171.7	0	0	0	0	110.4	V402 I428 L432 R436 T526 I529	V402-V424 HydrophobicContact CG1-CG1 4.38Å; V402-V424 HydrophobicContact CG1-CG2 4.26Å; V402-V424 CarbonylContact O-C 3.49Å; V402-V424 VanDerWaalsContact O-CA 3.27Å; V402-V424 WeakPolarHBondContact O-CA 3.28Å; V424-I428 HydrophobicContact CG1-CB 4.05Å; V424-I428 HydrophobicContact CG1-CD1 3.8Å; V424-I428 HydrophobicContact CG1-CG1 4.49Å; V424-I428 HydrophobicContact CG1-CG2 4.03Å; V424-L432 HydrophobicContact CB-CD2 4.16Å; V424-L432 HydrophobicContact CG1-CD2 4.14Å; V424-R436 VanDerWaalsContact O-CZ 3.28Å; V424-R436 PolarHBondContact O-NH1 3.11Å; V424-R436 PolarHBondContact O-NH2 3.08Å; V424-T526 HydrophobicContact CG2-CG2 3.79Å; V424-I529 HydrophobicContact CG1-CD1 4.28Å; V424-I529 HydrophobicContact CG1-CG2 4.36Å; V424-I529 HydrophobicContact CG2-CG2 4.29Å
425	R	76.4	Confident	73.6	Confident	87 Å²	87	56.5 Å²	56.5	33%	0.328	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-60.4	152.7	176.8	-69.4	177.6	169.2	-175.1	-4.8	111.8	K400 V402 I403 N404 D405 I428	K400-R425 PolarHBondContact O-NE 3.05Å; K400-R425 PolarHBondContact O-NH1 3.32Å; K400-R425 PolarHBondContact O-NH2 3.01Å; V402-R425 PolarHBondContact O-N 2.81Å; I403-R425 PolarHBondContact O-NE 2.95Å; N404-R425 HydrophobicContact CB-CG 4.14Å; D405-R425 IonicContact OD2-CZ 3.68Å; D405-R425 IonicContact OD2-NE 3.94Å; D405-R425 IonicContact OD2-NH2 2.68Å; D405-R425 PolarHBondContact OD2-NH2 2.93Å; R425-I428 HydrophobicContact CB-CD1 3.79Å; R425-I428 HydrophobicContact CB-CG1 4.45Å
426	S	70.6	Confident	74.7	Confident	79 Å²	79	53.6 Å²	53.6	55%	0.552	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	159.9	170.4	-44.1	0	0	0	0	111.5	I428 D433	S426-I428 PolarHBondContact O-N 3.1Å; S426-D433 VanDerWaalsContact CA-OD2 3.29Å; S426-D433 WeakPolarHBondContact CA-OD2 3.34Å
427	N	73.1	Confident	75.9	Confident	155 Å²	155	60.1 Å²	60.1	83%	0.829	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	8.6	-179	-46.8	-40.2	0	0	0	115.3	D433	N427-D433 PolarHBondContact N-OD2 2.88Å
428	I	77.3	Confident	76.9	Confident	69 Å²	69	61.2 Å²	61.2	35%	0.354	30%	0.301	S	S	.	.	S	Bend	trans	-85	-29	172.3	-68.3	176.4	0	0	0	111.7	V402 V424 R425 S426 I529	V402-I428 HydrophobicContact CB-CD1 4.47Å; V402-I428 HydrophobicContact CG1-CD1 4.38Å; V402-I428 VanDerWaalsContact O-CD1 3.31Å; V402-I428 WeakPolarHBondContact O-CD1 3.36Å; V424-I428 HydrophobicContact CG1-CB 4.05Å; V424-I428 HydrophobicContact CG1-CD1 3.8Å; V424-I428 HydrophobicContact CG1-CG1 4.49Å; V424-I428 HydrophobicContact CG1-CG2 4.03Å; R425-I428 HydrophobicContact CB-CD1 3.79Å; R425-I428 HydrophobicContact CB-CG1 4.45Å; S426-I428 PolarHBondContact O-N 3.1Å; I428-I529 HydrophobicContact CG2-CD1 4.32Å; I428-I529 HydrophobicContact CG2-CG2 4.3Å
429	S	80.6	Confident	77.9	Confident	30 Å²	30	59.4 Å²	59.4	21%	0.21	29%	0.288	C	S	.	.			trans	-153.3	109.7	176.9	175.2	0	0	0	0	109.2	F431 L432 D433	S429-F431 PolarHBondContact O-N 3.47Å; S429-L432 WeakPolarHBondContact O-CB 3.06Å; S429-L432 PolarHBondContact O-N 3.19Å; S429-L432 PolarHBondContact OG-N 3.41Å; S429-D433 PolarHBondContact O-N 3.01Å; S429-D433 VanDerWaalsContact O-N 3.13Å
430	E	81.7	Confident	78.9	Confident	155 Å²	155	60.4 Å²	60.4	72%	0.724	30%	0.296	S	S	*	.	H	α-helix	trans	-53.9	-42.4	179.4	-60.2	179.3	160.8	0	0	111.3	L432 D433 I434	E430-L432 VanDerWaalsContact C-N 3.33Å; E430-L432 PolarHBondContact O-N 3.49Å; E430-D433 PolarHBondContact O-N 2.89Å; E430-I434 VanDerWaalsContact O-CG1 3.26Å; E430-I434 WeakPolarHBondContact O-CG1 3.46Å; E430-I434 PolarHBondContact O-N 2.76Å
431	F	83.4	Confident	80.1	Confident	149 Å²	149	63.8 Å²	63.8	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-60.7	-38.5	176.2	-58.7	-77.6	0	0	0	112.8	S429 A435 M525	S429-F431 PolarHBondContact O-N 3.47Å; F431-A435 PolarHBondContact O-N 3.4Å; F431-M525 HydrophobicContact CB-CE 3.35Å; F431-M525 WeakPolarHBondContact O-CE 3.49Å
432	L	84.6	Confident	81.2	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-40.1	178.8	178.1	61.9	0	0	0	110.9	V424 S429 E430 A435 R436 I522 M525 I529	V424-L432 HydrophobicContact CB-CD2 4.16Å; V424-L432 HydrophobicContact CG1-CD2 4.14Å; S429-L432 WeakPolarHBondContact O-CB 3.06Å; S429-L432 PolarHBondContact O-N 3.19Å; S429-L432 PolarHBondContact OG-N 3.41Å; E430-L432 VanDerWaalsContact C-N 3.33Å; E430-L432 PolarHBondContact O-N 3.49Å; L432-A435 PolarHBondContact O-N 3.07Å; L432-R436 WeakPolarHBondContact O-CB 3.05Å; L432-R436 WeakPolarHBondContact O-CD 3.21Å; L432-R436 VanDerWaalsContact O-CG 3.23Å; L432-R436 WeakPolarHBondContact O-CG 3.47Å; L432-R436 PolarHBondContact O-N 2.74Å; L432-I522 HydrophobicContact CD1-CB 4.45Å; L432-I522 HydrophobicContact CD1-CG2 4.11Å; L432-M525 HydrophobicContact CB-CE 4.37Å; L432-M525 HydrophobicContact CD1-CB 4.2Å; L432-I529 HydrophobicContact CD2-CD1 3.93Å
433	D	83.8	Confident	82	Confident	35 Å²	35	62.8 Å²	62.8	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-73.7	-29.8	178.9	-66.8	-34.1	0	0	0	112.2	S426 N427 S429 E430 R436 R437	S426-D433 VanDerWaalsContact CA-OD2 3.29Å; S426-D433 WeakPolarHBondContact CA-OD2 3.34Å; N427-D433 PolarHBondContact N-OD2 2.88Å; S429-D433 PolarHBondContact O-N 3.01Å; S429-D433 VanDerWaalsContact O-N 3.13Å; E430-D433 PolarHBondContact O-N 2.89Å; D433-R436 WeakPolarHBondContact OD1-CD 3.3Å; D433-R436 IonicContact OD1-CZ 3.38Å; D433-R436 IonicContact OD1-NE 2.59Å; D433-R436 IonicContact OD1-NH1 3.08Å; D433-R436 PolarHBondContact OD1-NH1 2.59Å; D433-R437 WeakPolarHBondContact O-CB 3.33Å; D433-R437 PolarHBondContact O-N 3.13Å
434	I	85.8	Confident	82.8	Confident	101 Å²	101	67.5 Å²	67.5	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-50.5	165.1	-69.4	163	0	0	0	110.5	E430 R436 R437 T438	E430-I434 VanDerWaalsContact O-CG1 3.26Å; E430-I434 WeakPolarHBondContact O-CG1 3.46Å; E430-I434 PolarHBondContact O-N 2.76Å; I434-R436 VanDerWaalsContact C-N 3.33Å; I434-R436 PolarHBondContact O-N 2.82Å; I434-R437 WeakPolarHBondContact O-CB 3.09Å; I434-R437 PolarHBondContact O-N 2.83Å; I434-R437 VanDerWaalsContact O-N 3.12Å; I434-T438 PolarHBondContact O-N 3.5Å; I434-T438 PolarHBondContact O-OG1 2.81Å; I434-T438 VanDerWaalsContact O-OG1 3.13Å
435	A	84.3	Confident	83.2	Confident	5 Å²	5	71.8 Å²	71.8	4%	0.041	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-39.3	179.9	0	0	0	0	0	112.4	F431 L432 T438 Y439 E521 I522 M525	F431-A435 PolarHBondContact O-N 3.4Å; L432-A435 PolarHBondContact O-N 3.07Å; A435-T438 PolarHBondContact O-N 2.92Å; A435-Y439 PolarHBondContact O-N 2.67Å; A435-E521 HydrophobicContact CB-CG 4.49Å; A435-I522 HydrophobicContact CB-CG1 3.77Å; A435-M525 HydrophobicContact CB-SD 4.42Å
436	R	85.7	Confident	83.7	Confident	9 Å²	9	67.7 Å²	67.7	3%	0.034	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-40.3	172.4	-75	161.9	165	178.1	-7.9	113	C421 Y422 V424 L432 D433 I434 Y439 T440 I522	C421-R436 PolarHBondContact O-NE 2.64Å; C421-R436 PolarHBondContact O-NH2 2.63Å; Y422-R436 HydrophobicContact CE1-CB 4.2Å; Y422-R436 HydrophobicContact CE1-CG 4.14Å; V424-R436 VanDerWaalsContact O-CZ 3.28Å; V424-R436 PolarHBondContact O-NH1 3.11Å; V424-R436 PolarHBondContact O-NH2 3.08Å; L432-R436 WeakPolarHBondContact O-CB 3.05Å; L432-R436 WeakPolarHBondContact O-CD 3.21Å; L432-R436 VanDerWaalsContact O-CG 3.23Å; L432-R436 WeakPolarHBondContact O-CG 3.47Å; L432-R436 PolarHBondContact O-N 2.74Å; D433-R436 WeakPolarHBondContact OD1-CD 3.3Å; D433-R436 IonicContact OD1-CZ 3.38Å; D433-R436 IonicContact OD1-NE 2.59Å; D433-R436 IonicContact OD1-NH1 3.08Å; D433-R436 PolarHBondContact OD1-NH1 2.59Å; I434-R436 VanDerWaalsContact C-N 3.33Å; I434-R436 PolarHBondContact O-N 2.82Å; R436-Y439 PolarHBondContact O-N 3.22Å; R436-T440 PolarHBondContact O-N 2.85Å; R436-T440 PolarHBondContact O-OG1 2.97Å; R436-I522 HydrophobicContact CG-CD1 4.34Å; R436-I522 HydrophobicContact CG-CG1 4.48Å
437	R	86.5	Confident	84.4	Confident	166 Å²	166	66 Å²	66	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-62.1	-51.2	175.1	179.8	177.6	175	144.4	11.3	110.6	D433 I434 Y439 T440 E441	D433-R437 WeakPolarHBondContact O-CB 3.33Å; D433-R437 PolarHBondContact O-N 3.13Å; I434-R437 WeakPolarHBondContact O-CB 3.09Å; I434-R437 PolarHBondContact O-N 2.83Å; I434-R437 VanDerWaalsContact O-N 3.12Å; R437-Y439 VanDerWaalsContact C-N 3.28Å; R437-Y439 PolarHBondContact O-N 3.46Å; R437-T440 WeakPolarHBondContact O-CB 3.48Å; R437-T440 PolarHBondContact O-N 3.39Å; R437-E441 HydrophobicContact CG-CG 4.42Å; R437-E441 WeakPolarHBondContact CG-OE1 3.22Å; R437-E441 IonicContact CZ-OE1 2.77Å; R437-E441 IonicContact NE-OE1 3.07Å; R437-E441 PolarHBondContact NE-OE1 2.63Å; R437-E441 IonicContact NH2-OE1 3.36Å; R437-E441 PolarHBondContact NH2-OE1 2.83Å; R437-E441 VanDerWaalsContact NH2-OE1 3.08Å; R437-E441 WeakPolarHBondContact O-CG 3.3Å; R437-E441 PolarHBondContact O-N 2.94Å
438	T	86.3	Confident	85.1	Confident	57 Å²	57	60 Å²	60	35%	0.35	31%	0.311	S	S	.	.	H	α-helix	trans	-55.3	-42.6	174.7	-52	0	0	0	0	112	I434 A435 T440 I442	I434-T438 PolarHBondContact O-N 3.5Å; I434-T438 PolarHBondContact O-OG1 2.81Å; I434-T438 VanDerWaalsContact O-OG1 3.13Å; A435-T438 PolarHBondContact O-N 2.92Å; T438-T440 PolarHBondContact O-N 2.94Å; T438-I442 HydrophobicContact CG2-CD1 4.04Å; T438-I442 WeakPolarHBondContact O-CD1 2.98Å; T438-I442 VanDerWaalsContact O-CG1 3.24Å; T438-I442 WeakPolarHBondContact O-CG1 3.35Å; T438-I442 PolarHBondContact O-N 3.46Å
439	Y	86.8	Confident	85.4	Confident	18 Å²	18	58.7 Å²	58.7	7%	0.071	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.2	173.5	-95	0	0	0	113	R417 A435 R436 R437 V443 C515 L519 I522	R417-Y439 PolarHBondContact NE-OH 2.82Å; R417-Y439 PolarHBondContact NH2-OH 3.04Å; A435-Y439 PolarHBondContact O-N 2.67Å; R436-Y439 PolarHBondContact O-N 3.22Å; R437-Y439 VanDerWaalsContact C-N 3.28Å; R437-Y439 PolarHBondContact O-N 3.46Å; Y439-V443 HydrophobicContact CD1-CG2 4.46Å; Y439-V443 HydrophobicContact CE1-CG2 3.94Å; Y439-V443 HydrophobicContact CE2-CG2 4.19Å; Y439-V443 WeakPolarHBondContact O-CG2 3.46Å; Y439-V443 PolarHBondContact O-N 3.21Å; Y439-V443 VanDerWaalsContact O-N 3.1Å; Y439-C515 WeakPolarHBondContact CE2-SG 3.21Å; Y439-L519 HydrophobicContact CD2-CD1 4.28Å; Y439-L519 HydrophobicContact CD2-CD2 3.81Å; Y439-L519 HydrophobicContact CD2-CG 3.67Å; Y439-L519 HydrophobicContact CE2-CD1 3.53Å; Y439-L519 HydrophobicContact CE2-CD2 3.6Å; Y439-L519 HydrophobicContact CE2-CG 3.42Å; Y439-L519 VanDerWaalsContact CE2-CG 3.42Å; Y439-L519 HydrophobicContact CG-CD2 4.4Å; Y439-I522 HydrophobicContact CG-CD1 4.1Å
440	T	85.9	Confident	85.6	Confident	48 Å²	48	57.4 Å²	57.4	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-47.8	178.3	-53.6	0	0	0	0	110.5	Y422 R436 R437 T438 I442 V443 D444	Y422-T440 PolarHBondContact OH-OG1 3.1Å; R436-T440 PolarHBondContact O-N 2.85Å; R436-T440 PolarHBondContact O-OG1 2.97Å; R437-T440 WeakPolarHBondContact O-CB 3.48Å; R437-T440 PolarHBondContact O-N 3.39Å; T438-T440 PolarHBondContact O-N 2.94Å; T440-I442 VanDerWaalsContact C-N 3.28Å; T440-I442 PolarHBondContact O-N 3.28Å; T440-V443 WeakPolarHBondContact O-CA 3.17Å; T440-V443 PolarHBondContact O-N 3.46Å; T440-D444 PolarHBondContact O-N 3.43Å
441	E	88.9	Confident	85.7	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	28%	0.28	S	S	.	.	H	α-helix	trans	-57.3	-40	175.9	-69.3	170	170.9	0	0	111.1	R437 V443 D444 D445	R437-E441 HydrophobicContact CG-CG 4.42Å; R437-E441 WeakPolarHBondContact CG-OE1 3.22Å; R437-E441 IonicContact CZ-OE1 2.77Å; R437-E441 IonicContact NE-OE1 3.07Å; R437-E441 PolarHBondContact NE-OE1 2.63Å; R437-E441 IonicContact NH2-OE1 3.36Å; R437-E441 PolarHBondContact NH2-OE1 2.83Å; R437-E441 VanDerWaalsContact NH2-OE1 3.08Å; R437-E441 WeakPolarHBondContact O-CG 3.3Å; R437-E441 PolarHBondContact O-N 2.94Å; E441-V443 PolarHBondContact O-N 2.8Å; E441-D444 PolarHBondContact O-N 2.91Å; E441-D445 WeakPolarHBondContact O-CB 3.26Å; E441-D445 PolarHBondContact O-N 2.82Å
442	I	86.3	Confident	85.8	Confident	22 Å²	22	51.8 Å²	51.8	11%	0.113	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-34.2	173	-68.6	164	0	0	0	113.1	T438 T440 I446 R514 C515	T438-I442 HydrophobicContact CG2-CD1 4.04Å; T438-I442 WeakPolarHBondContact O-CD1 2.98Å; T438-I442 VanDerWaalsContact O-CG1 3.24Å; T438-I442 WeakPolarHBondContact O-CG1 3.35Å; T438-I442 PolarHBondContact O-N 3.46Å; T440-I442 VanDerWaalsContact C-N 3.28Å; T440-I442 PolarHBondContact O-N 3.28Å; I442-I446 HydrophobicContact CG2-CD1 4.21Å; I442-I446 WeakPolarHBondContact O-CD1 3.2Å; I442-I446 VanDerWaalsContact O-CG1 3.25Å; I442-I446 WeakPolarHBondContact O-CG1 3.36Å; I442-I446 PolarHBondContact O-N 3.21Å; I442-I446 VanDerWaalsContact O-N 3.13Å; I442-R514 HydrophobicContact CD1-CB 4.28Å; I442-C515 HydrophobicContact CG2-CB 3.8Å
443	V	86.2	Confident	85.7	Confident	38 Å²	38	52.5 Å²	52.5	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-74.7	-38.1	177.9	168.9	0	0	0	0	111.2	Y439 T440 E441 I446 A447 F471	Y439-V443 HydrophobicContact CD1-CG2 4.46Å; Y439-V443 HydrophobicContact CE1-CG2 3.94Å; Y439-V443 HydrophobicContact CE2-CG2 4.19Å; Y439-V443 WeakPolarHBondContact O-CG2 3.46Å; Y439-V443 PolarHBondContact O-N 3.21Å; Y439-V443 VanDerWaalsContact O-N 3.1Å; T440-V443 WeakPolarHBondContact O-CA 3.17Å; T440-V443 PolarHBondContact O-N 3.46Å; E441-V443 PolarHBondContact O-N 2.8Å; V443-I446 PolarHBondContact O-N 2.92Å; V443-A447 PolarHBondContact O-N 3.44Å; V443-F471 HydrophobicContact CG2-CE2 4.22Å; V443-F471 HydrophobicContact CG2-CZ 4.2Å
444	D	86.7	Confident	85.6	Confident	103 Å²	103	51.9 Å²	51.9	55%	0.551	28%	0.283	S	S	*	.	H	α-helix	trans	-68.8	-38.7	174.8	-67.6	-25.6	0	0	0	111.2	T440 E441 I446 A447 G448	T440-D444 PolarHBondContact O-N 3.43Å; E441-D444 PolarHBondContact O-N 2.91Å; D444-I446 PolarHBondContact O-N 3.35Å; D444-A447 PolarHBondContact O-N 2.93Å; D444-G448 PolarHBondContact O-N 3.24Å
445	D	87.2	Confident	85.5	Confident	93 Å²	93	54.3 Å²	54.3	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-56.5	-45	169	-91.7	-8	0	0	0	112	E441 A447 G448 M449 M511	E441-D445 WeakPolarHBondContact O-CB 3.26Å; E441-D445 PolarHBondContact O-N 2.82Å; D445-A447 VanDerWaalsContact C-N 3.35Å; D445-G448 PolarHBondContact O-N 3Å; D445-M449 WeakPolarHBondContact O-CB 3.39Å; D445-M449 PolarHBondContact O-N 3.04Å; D445-M511 HydrophobicContact CB-CE 3.76Å; D445-M511 HydrophobicContact CB-SD 4.4Å
446	I	85.9	Confident	85.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.7	-74.4	166.5	0	0	0	110.8	I442 V443 D444 I450 F471 L508 M511	I442-I446 HydrophobicContact CG2-CD1 4.21Å; I442-I446 WeakPolarHBondContact O-CD1 3.2Å; I442-I446 VanDerWaalsContact O-CG1 3.25Å; I442-I446 WeakPolarHBondContact O-CG1 3.36Å; I442-I446 PolarHBondContact O-N 3.21Å; I442-I446 VanDerWaalsContact O-N 3.13Å; V443-I446 PolarHBondContact O-N 2.92Å; D444-I446 PolarHBondContact O-N 3.35Å; I446-I450 HydrophobicContact CG2-CD1 4.03Å; I446-I450 VanDerWaalsContact O-CG1 3.32Å; I446-I450 WeakPolarHBondContact O-CG1 3.3Å; I446-I450 PolarHBondContact O-N 3.06Å; I446-I450 VanDerWaalsContact O-N 3.16Å; I446-F471 HydrophobicContact CD1-CD2 3.92Å; I446-F471 HydrophobicContact CD1-CE2 4.4Å; I446-F471 HydrophobicContact CG2-CB 4.26Å; I446-F471 HydrophobicContact CG2-CG 4.38Å; I446-L508 HydrophobicContact CG1-CD1 4.2Å; I446-L508 HydrophobicContact CG2-CD1 3.75Å; I446-M511 HydrophobicContact CD1-CB 3.97Å; I446-M511 HydrophobicContact CG1-CB 3.74Å; I446-M511 HydrophobicContact CG1-CG 4.39Å; I446-M511 HydrophobicContact CG1-SD 3.84Å
447	A	85.8	Confident	85	Confident	43 Å²	43	62.6 Å²	62.6	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-44.8	177	0	0	0	0	0	111.6	V443 D444 D445 I450 A451	V443-A447 PolarHBondContact O-N 3.44Å; D444-A447 PolarHBondContact O-N 2.93Å; D445-A447 VanDerWaalsContact C-N 3.35Å; A447-I450 PolarHBondContact O-N 2.76Å; A447-A451 PolarHBondContact O-N 2.99Å
448	G	86.9	Confident	84.4	Confident	29 Å²	29	59.9 Å²	59.9	30%	0.299	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-44.3	176.9	0	0	0	0	0	112.8	D444 D445 I450 A451 Q452	D444-G448 PolarHBondContact O-N 3.24Å; D445-G448 PolarHBondContact O-N 3Å; G448-I450 VanDerWaalsContact C-N 3.31Å; G448-I450 PolarHBondContact O-N 2.93Å; G448-A451 PolarHBondContact O-N 3.38Å; G448-Q452 WeakPolarHBondContact O-CG 3.45Å; G448-Q452 PolarHBondContact O-N 3.28Å
449	M	84.9	Confident	83.9	Confident	41 Å²	41	58.3 Å²	58.3	20%	0.202	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-42.9	173.4	179.5	-174.4	-71.5	0	0	111.6	D445 Q452 L453 D507 M511	D445-M449 WeakPolarHBondContact O-CB 3.39Å; D445-M449 PolarHBondContact O-N 3.04Å; M449-Q452 PolarHBondContact O-N 3.33Å; M449-L453 HydrophobicContact CG-CD1 4.1Å; M449-L453 WeakPolarHBondContact O-CB 3.45Å; M449-L453 VanDerWaalsContact O-CG 3.28Å; M449-L453 WeakPolarHBondContact O-CG 2.96Å; M449-L453 PolarHBondContact O-N 2.75Å; M449-D507 HydrophobicContact CE-CB 3.85Å; M449-D507 HydrophobicContact SD-CB 4.3Å; M449-M511 HydrophobicContact CE-CE 3.76Å; M449-M511 HydrophobicContact CE-SD 3.46Å; M449-M511 WeakPolarHBondContact CE-SD 3.22Å; M449-M511 HydrophobicContact SD-SD 4.25Å
450	I	83.9	Confident	83.4	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-73.5	-31.3	-178.5	-68.8	170.7	0	0	0	111.4	I446 A447 G448 A454 L461 T463 I473 L508	I446-I450 HydrophobicContact CG2-CD1 4.03Å; I446-I450 VanDerWaalsContact O-CG1 3.32Å; I446-I450 WeakPolarHBondContact O-CG1 3.3Å; I446-I450 PolarHBondContact O-N 3.06Å; I446-I450 VanDerWaalsContact O-N 3.16Å; A447-I450 PolarHBondContact O-N 2.76Å; G448-I450 VanDerWaalsContact C-N 3.31Å; G448-I450 PolarHBondContact O-N 2.93Å; I450-A454 WeakPolarHBondContact O-CB 3.35Å; I450-A454 PolarHBondContact O-N 3.17Å; I450-L461 HydrophobicContact CG2-CB 4.18Å; I450-T463 HydrophobicContact CB-CG2 4.14Å; I450-T463 HydrophobicContact CD1-CG2 3.87Å; I450-T463 HydrophobicContact CG2-CG2 4.07Å; I450-I473 HydrophobicContact CD1-CG1 3.75Å; I450-I473 HydrophobicContact CG1-CD1 4.19Å; I450-I473 HydrophobicContact CG1-CG1 3.88Å; I450-I473 HydrophobicContact CG2-CG1 4.43Å; I450-L508 HydrophobicContact CD1-CD1 4.22Å; I450-L508 HydrophobicContact CD1-CD2 4.26Å
451	A	84.9	Confident	83.1	Confident	51 Å²	51	58.8 Å²	58.8	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-66.3	-46.4	169.5	0	0	0	0	0	112.2	A447 G448 L453 A454 E455	A447-A451 PolarHBondContact O-N 2.99Å; G448-A451 PolarHBondContact O-N 3.38Å; A451-L453 VanDerWaalsContact C-N 3.29Å; A451-L453 PolarHBondContact O-N 3.27Å; A451-A454 WeakPolarHBondContact O-CA 3.36Å; A451-A454 VanDerWaalsContact O-CB 3.32Å; A451-A454 WeakPolarHBondContact O-CB 3.26Å; A451-A454 PolarHBondContact O-N 3.37Å; A451-E455 PolarHBondContact O-N 2.96Å
452	Q	85.6	Confident	82.6	Confident	134 Å²	134	62.7 Å²	62.7	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-59.9	-38.5	175.1	-71.7	171.3	9.4	0	0	112.1	G448 M449 E455 K456	G448-Q452 WeakPolarHBondContact O-CG 3.45Å; G448-Q452 PolarHBondContact O-N 3.28Å; M449-Q452 PolarHBondContact O-N 3.33Å; Q452-E455 PolarHBondContact O-N 2.86Å; Q452-K456 WeakPolarHBondContact O-CB 3.4Å; Q452-K456 PolarHBondContact O-N 3.22Å
453	L	82.1	Confident	82.4	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-33.3	173.2	-72	167.7	0	0	0	112.6	M449 A451 K456 Y457 L461 I473 F491	M449-L453 HydrophobicContact CG-CD1 4.1Å; M449-L453 WeakPolarHBondContact O-CB 3.45Å; M449-L453 VanDerWaalsContact O-CG 3.28Å; M449-L453 WeakPolarHBondContact O-CG 2.96Å; M449-L453 PolarHBondContact O-N 2.75Å; A451-L453 VanDerWaalsContact C-N 3.29Å; A451-L453 PolarHBondContact O-N 3.27Å; L453-K456 HydrophobicContact CD2-CD 4.38Å; L453-Y457 HydrophobicContact CD2-CD2 4.35Å; L453-Y457 HydrophobicContact CD2-CE2 3.94Å; L453-Y457 WeakPolarHBondContact O-CD2 3.46Å; L453-Y457 PolarHBondContact O-N 2.73Å; L453-L461 HydrophobicContact CB-CD1 3.89Å; L453-I473 HydrophobicContact CD1-CD1 4.19Å; L453-F491 HydrophobicContact CD1-CE1 4.43Å
454	A	82.1	Confident	82.1	Confident	23 Å²	23	64.7 Å²	64.7	19%	0.19	35%	0.352	C	S	.	.	H	α-helix	trans	-66.2	-42.6	174.6	0	0	0	0	0	111.4	I450 A451 S458 L459 L461	I450-A454 WeakPolarHBondContact O-CB 3.35Å; I450-A454 PolarHBondContact O-N 3.17Å; A451-A454 WeakPolarHBondContact O-CA 3.36Å; A451-A454 VanDerWaalsContact O-CB 3.32Å; A451-A454 WeakPolarHBondContact O-CB 3.26Å; A451-A454 PolarHBondContact O-N 3.37Å; A454-S458 CarbonylContact O-C 3.56Å; A454-S458 WeakPolarHBondContact O-CA 3.48Å; A454-S458 PolarHBondContact O-N 2.89Å; A454-L459 WeakPolarHBondContact CB-O 3.28Å; A454-L459 PolarHBondContact O-N 2.95Å; A454-L461 HydrophobicContact CB-CB 4.08Å; A454-L461 HydrophobicContact CB-CD1 4.34Å; A454-L461 HydrophobicContact CB-CG 4.17Å
455	E	83.7	Confident	81.7	Confident	152 Å²	152	61.9 Å²	61.9	71%	0.71	34%	0.335	S	S	*	.	H	α-helix	trans	-67.6	-54.4	175.2	-68.7	179.3	172	0	0	111.8	A451 Q452 Y457 S458	A451-E455 PolarHBondContact O-N 2.96Å; Q452-E455 PolarHBondContact O-N 2.86Å; E455-Y457 PolarHBondContact O-N 2.94Å; E455-S458 PolarHBondContact O-N 3.32Å
456	K	80.9	Confident	81.2	Confident	118 Å²	118	59.2 Å²	59.2	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-51	-34.7	-178.7	178.4	-175.3	174.6	-166.9	0	113.5	Q452 L453 E490	Q452-K456 WeakPolarHBondContact O-CB 3.4Å; Q452-K456 PolarHBondContact O-N 3.22Å; L453-K456 HydrophobicContact CD2-CD 4.38Å; K456-E490 IonicContact NZ-OE1 2.67Å; K456-E490 PolarHBondContact NZ-OE1 3.08Å; K456-E490 IonicContact NZ-OE2 3.72Å; K456-E490 PolarHBondContact NZ-OE2 3.04Å
457	Y	76.7	Confident	80.3	Confident	69 Å²	69	64.2 Å²	64.2	27%	0.271	36%	0.359	S	S	.	.	H	α-helix	trans	-111.6	-1.3	-179.8	-63.5	-63.3	0	0	0	114.3	L453 E455 L459 P488 E490 F491	L453-Y457 HydrophobicContact CD2-CD2 4.35Å; L453-Y457 HydrophobicContact CD2-CE2 3.94Å; L453-Y457 WeakPolarHBondContact O-CD2 3.46Å; L453-Y457 PolarHBondContact O-N 2.73Å; E455-Y457 PolarHBondContact O-N 2.94Å; Y457-L459 VanDerWaalsContact C-N 3.27Å; Y457-L459 PolarHBondContact O-N 2.81Å; Y457-P488 HydrophobicContact CD1-CG 3.53Å; Y457-P488 HydrophobicContact CD2-CG 3.98Å; Y457-P488 HydrophobicContact CE1-CB 3.94Å; Y457-P488 HydrophobicContact CE1-CG 3.32Å; Y457-P488 HydrophobicContact CE2-CB 4.08Å; Y457-P488 HydrophobicContact CE2-CG 3.78Å; Y457-P488 HydrophobicContact CG-CG 3.86Å; Y457-P488 VanDerWaalsContact CZ-CG 3.43Å; Y457-E490 VanDerWaalsContact OH-CD 3.24Å; Y457-E490 PolarHBondContact OH-OE1 2.91Å; Y457-E490 PolarHBondContact OH-OE2 3.26Å; Y457-F491 HydrophobicContact CD2-CZ 4.35Å
458	S	74.9	Confident	79.5	Confident	109 Å²	109	67.2 Å²	67.2	76%	0.762	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	41.8	-174.9	-62.5	0	0	0	0	113.7	A454 E455	A454-S458 CarbonylContact O-C 3.56Å; A454-S458 WeakPolarHBondContact O-CA 3.48Å; A454-S458 PolarHBondContact O-N 2.89Å; E455-S458 PolarHBondContact O-N 3.32Å
459	L	76.6	Confident	78.7	Confident	24 Å²	24	71.8 Å²	71.8	13%	0.126	39%	0.385	C	S	.	.			trans	-110.5	143.8	-178	-64.9	-178.8	0	0	0	111.9	A454 Y457 L461 M475 L482	A454-L459 WeakPolarHBondContact CB-O 3.28Å; A454-L459 PolarHBondContact O-N 2.95Å; Y457-L459 VanDerWaalsContact C-N 3.27Å; Y457-L459 PolarHBondContact O-N 2.81Å; L459-L461 HydrophobicContact CB-CD2 3.75Å; L459-L461 HydrophobicContact CB-CG 3.98Å; L459-L461 HydrophobicContact CD1-CD2 4.35Å; L459-L461 PolarHBondContact O-N 3.17Å; L459-M475 HydrophobicContact CB-SD 4.3Å; L459-M475 HydrophobicContact CD1-SD 4.19Å; L459-M475 HydrophobicContact CD2-SD 4.34Å; L459-L482 HydrophobicContact CD2-CD1 3.54Å
460	P	74.9	Confident	78.4	Confident	57 Å²	57	70.1 Å²	70.1	37%	0.37	38%	0.379	S	S	.	.			trans	-76.5	70.8	176.3	32.6	-35.3	0	0	0	111.3	M475	P460-M475 HydrophobicContact CG-CG 4.21Å
461	L	80	Confident	78.3	Confident	20 Å²	20	71 Å²	71	11%	0.105	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.5	177.8	-51.8	-173.4	0	0	0	110.8	I450 L453 A454 L459 I473 M475 F491 F503	I450-L461 HydrophobicContact CG2-CB 4.18Å; L453-L461 HydrophobicContact CB-CD1 3.89Å; A454-L461 HydrophobicContact CB-CB 4.08Å; A454-L461 HydrophobicContact CB-CD1 4.34Å; A454-L461 HydrophobicContact CB-CG 4.17Å; L459-L461 HydrophobicContact CB-CD2 3.75Å; L459-L461 HydrophobicContact CB-CG 3.98Å; L459-L461 HydrophobicContact CD1-CD2 4.35Å; L459-L461 PolarHBondContact O-N 3.17Å; L461-I473 HydrophobicContact CB-CG2 3.88Å; L461-I473 HydrophobicContact CD1-CG2 4.15Å; L461-I473 HydrophobicContact CD2-CG2 3.89Å; L461-I473 HydrophobicContact CG-CG2 4.18Å; L461-M475 HydrophobicContact CD2-CB 4.27Å; L461-M475 HydrophobicContact CD2-CG 4.4Å; L461-M475 HydrophobicContact CD2-SD 4.29Å; L461-F491 HydrophobicContact CD1-CZ 4.33Å; L461-F503 HydrophobicContact CD2-CE2 4.24Å; L461-F503 HydrophobicContact CD2-CZ 3.78Å
462	R	78.7	Confident	78.3	Confident	169 Å²	169	69.7 Å²	69.7	64%	0.638	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.9	172.6	-65.4	-173.9	178.8	-174.4	0.4	110.7	Q474	R462-Q474 PolarHBondContact N-O 3.24Å; R462-Q474 PolarHBondContact O-N 3.2Å
463	T	81.4	Confident	78.2	Confident	74 Å²	74	63.4 Å²	63.4	45%	0.454	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.6	166.8	56.9	0	0	0	0	109.6	I450	I450-T463 HydrophobicContact CB-CG2 4.14Å; I450-T463 HydrophobicContact CD1-CG2 3.87Å; I450-T463 HydrophobicContact CG2-CG2 4.07Å
464	S	80.1	Confident	78.3	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157	174.2	-76.3	0	0	0	0	110.8	F471 F472 Q474	S464-F471 CarbonylContact O-C 3.58Å; S464-F471 VanDerWaalsContact O-CA 3.31Å; S464-F471 WeakPolarHBondContact O-CA 3.46Å; S464-F472 PolarHBondContact N-O 2.87Å; S464-F472 WeakPolarHBondContact O-CD1 3.35Å; S464-F472 PolarHBondContact O-N 2.98Å; S464-F472 VanDerWaalsContact O-O 3.08Å; S464-Q474 PolarHBondContact OG-OE1 2.93Å; S464-Q474 VanDerWaalsContact OG-OE1 3.12Å
465	F	77.8	Confident	78.2	Confident	45 Å²	45	65 Å²	65	20%	0.197	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.2	-172.4	179.6	-94.4	0	0	0	112	L414 G470 F471	L414-F465 HydrophobicContact CD1-CB 3.67Å; L414-F465 HydrophobicContact CD1-CD1 4.2Å; L414-F465 HydrophobicContact CD1-CG 4Å; F465-G470 WeakPolarHBondContact CA-O 3.27Å; F465-F471 HydrophobicContact CB-CD1 4.07Å; F465-F471 HydrophobicContact CB-CE1 4.18Å; F465-F471 AromaticContact CD2-CD1 3.9Å; F465-F471 HydrophobicContact CD2-CD1 3.9Å; F465-F471 HydrophobicContact CD2-CD2 4.2Å; F465-F471 AromaticContact CD2-CE1 3.97Å; F465-F471 HydrophobicContact CD2-CE1 3.97Å; F465-F471 HydrophobicContact CD2-CE2 4.28Å; F465-F471 HydrophobicContact CD2-CG 4.02Å; F465-F471 HydrophobicContact CD2-CZ 4.16Å; F465-F471 HydrophobicContact CG-CD1 4.45Å; F465-F471 HydrophobicContact CG-CE1 4.42Å
466	S	77.6	Confident	77.6	Confident	37 Å²	37	59.9 Å²	59.9	26%	0.259	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	138.2	171.2	173.8	0	0	0	0	111	S468 R469 G470	S466-S468 PolarHBondContact O-N 3.12Å; S466-R469 PolarHBondContact O-N 3.12Å; S466-G470 PolarHBondContact N-O 3.39Å; S466-G470 PolarHBondContact O-N 3.48Å
467	S	66.3	Low	76.7	Confident	106 Å²	106	55.9 Å²	55.9	74%	0.741	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.8	-176.7	-161.9	0	0	0	0	114.5
468	S	68.9	Low	75.6	Confident	106 Å²	106	58.3 Å²	58.3	74%	0.741	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-4.5	177.3	58.5	0	0	0	0	114.4	S466	S466-S468 PolarHBondContact O-N 3.12Å
469	R	71.1	Confident	74.2	Confident	125 Å²	125	56.6 Å²	56.6	47%	0.472	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-13.9	-177.8	-54.9	-174.1	-175.5	-169.7	-1.3	114.2	S466 F472 S495 S502	S466-R469 PolarHBondContact O-N 3.12Å; R469-F472 HydrophobicContact CB-CD1 4.45Å; R469-S495 PolarHBondContact NH1-OG 2.98Å; R469-S502 PolarHBondContact NH1-OG 3.41Å
470	G	78.3	Confident	72.7	Confident	7 Å²	7	60.8 Å²	60.8	7%	0.072	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-153.6	-166.8	0	0	0	0	0	111.9	F465 S466 N512	F465-G470 WeakPolarHBondContact CA-O 3.27Å; S466-G470 PolarHBondContact N-O 3.39Å; S466-G470 PolarHBondContact O-N 3.48Å; G470-N512 VanDerWaalsContact CA-OD1 3.31Å; G470-N512 WeakPolarHBondContact CA-OD1 3.47Å
471	F	82.8	Confident	71.3	Confident	22 Å²	22	62.1 Å²	62.1	10%	0.096	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	133.3	165.5	-67.2	-76.6	0	0	0	110.5	V443 I446 S464 F465 L508 N512	V443-F471 HydrophobicContact CG2-CE2 4.22Å; V443-F471 HydrophobicContact CG2-CZ 4.2Å; I446-F471 HydrophobicContact CD1-CD2 3.92Å; I446-F471 HydrophobicContact CD1-CE2 4.4Å; I446-F471 HydrophobicContact CG2-CB 4.26Å; I446-F471 HydrophobicContact CG2-CG 4.38Å; S464-F471 CarbonylContact O-C 3.58Å; S464-F471 VanDerWaalsContact O-CA 3.31Å; S464-F471 WeakPolarHBondContact O-CA 3.46Å; F465-F471 HydrophobicContact CB-CD1 4.07Å; F465-F471 HydrophobicContact CB-CE1 4.18Å; F465-F471 AromaticContact CD2-CD1 3.9Å; F465-F471 HydrophobicContact CD2-CD1 3.9Å; F465-F471 HydrophobicContact CD2-CD2 4.2Å; F465-F471 AromaticContact CD2-CE1 3.97Å; F465-F471 HydrophobicContact CD2-CE1 3.97Å; F465-F471 HydrophobicContact CD2-CE2 4.28Å; F465-F471 HydrophobicContact CD2-CG 4.02Å; F465-F471 HydrophobicContact CD2-CZ 4.16Å; F465-F471 HydrophobicContact CG-CD1 4.45Å; F465-F471 HydrophobicContact CG-CE1 4.42Å; F471-L508 HydrophobicContact CB-CD1 4.39Å; F471-N512 PolarHBondContact N-OD1 3.16Å; F471-N512 PolarHBondContact O-ND2 2.85Å
472	F	83.9	Confident	70	Confident	24 Å²	24	64.1 Å²	64.1	11%	0.105	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	159.4	177	67	-89	0	0	0	110	S464 R469 Q474 T504	S464-F472 PolarHBondContact N-O 2.87Å; S464-F472 WeakPolarHBondContact O-CD1 3.35Å; S464-F472 PolarHBondContact O-N 2.98Å; S464-F472 VanDerWaalsContact O-O 3.08Å; R469-F472 HydrophobicContact CB-CD1 4.45Å; F472-Q474 HydrophobicContact CE2-CB 4.06Å; F472-T504 HydrophobicContact CB-CG2 4Å
473	I	83.9	Confident	68.7	Low	1 Å²	1	59.1 Å²	59.1	1%	0.005	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.3	176.8	-57.6	169	0	0	0	108.2	I450 L453 L461 F491 S502 F503 L508	I450-I473 HydrophobicContact CD1-CG1 3.75Å; I450-I473 HydrophobicContact CG1-CD1 4.19Å; I450-I473 HydrophobicContact CG1-CG1 3.88Å; I450-I473 HydrophobicContact CG2-CG1 4.43Å; L453-I473 HydrophobicContact CD1-CD1 4.19Å; L461-I473 HydrophobicContact CB-CG2 3.88Å; L461-I473 HydrophobicContact CD1-CG2 4.15Å; L461-I473 HydrophobicContact CD2-CG2 3.89Å; L461-I473 HydrophobicContact CG-CG2 4.18Å; I473-F491 HydrophobicContact CD1-CD1 4.36Å; I473-F491 HydrophobicContact CD1-CE1 3.86Å; I473-S502 CarbonylContact O-C 3.58Å; I473-S502 VanDerWaalsContact O-CA 3.29Å; I473-S502 WeakPolarHBondContact O-CA 3.48Å; I473-F503 HydrophobicContact CB-CD2 3.82Å; I473-F503 HydrophobicContact CB-CE2 3.75Å; I473-F503 HydrophobicContact CB-CZ 4.47Å; I473-F503 HydrophobicContact CD1-CD2 4.19Å; I473-F503 HydrophobicContact CD1-CE2 4.14Å; I473-F503 HydrophobicContact CG2-CD2 4.05Å; I473-F503 HydrophobicContact CG2-CE2 3.44Å; I473-F503 VanDerWaalsContact CG2-CE2 3.44Å; I473-F503 HydrophobicContact CG2-CZ 3.84Å; I473-F503 PolarHBondContact N-O 3.5Å; I473-F503 PolarHBondContact O-N 3.05Å; I473-L508 HydrophobicContact CD1-CD2 4.34Å; I473-L508 HydrophobicContact CG1-CD2 3.94Å
474	Q	83.3	Confident	67.3	Low	61 Å²	61	59.1 Å²	59.1	29%	0.285	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.5	172.4	-166.8	174.8	10.4	0	0	110.5	R462 S464 F472 S500 Y501	R462-Q474 PolarHBondContact N-O 3.24Å; R462-Q474 PolarHBondContact O-N 3.2Å; S464-Q474 PolarHBondContact OG-OE1 2.93Å; S464-Q474 VanDerWaalsContact OG-OE1 3.12Å; F472-Q474 HydrophobicContact CE2-CB 4.06Å; Q474-S500 PolarHBondContact NE2-OG 2.85Å; Q474-Y501 WeakPolarHBondContact CA-O 3.43Å
475	M	80.1	Confident	65.8	Low	11 Å²	11	64.7 Å²	64.7	5%	0.054	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.1	176.9	-175.4	179.3	72.9	0	0	109.3	L459 P460 L461 S500 Y501 F503	L459-M475 HydrophobicContact CB-SD 4.3Å; L459-M475 HydrophobicContact CD1-SD 4.19Å; L459-M475 HydrophobicContact CD2-SD 4.34Å; P460-M475 HydrophobicContact CG-CG 4.21Å; L461-M475 HydrophobicContact CD2-CB 4.27Å; L461-M475 HydrophobicContact CD2-CG 4.4Å; L461-M475 HydrophobicContact CD2-SD 4.29Å; M475-S500 CarbonylContact O-C 3.58Å; M475-S500 WeakPolarHBondContact O-CA 3.43Å; M475-S500 WeakPolarHBondContact O-CB 3.23Å; M475-Y501 HydrophobicContact CE-CD2 4.04Å; M475-Y501 PolarHBondContact N-O 3.45Å; M475-Y501 PolarHBondContact O-N 2.91Å; M475-F503 HydrophobicContact CB-CE1 4.15Å; M475-F503 HydrophobicContact CB-CZ 4.32Å
476	T	71.7	Confident	64.8	Low	45 Å²	45	68.8 Å²	68.8	28%	0.276	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.8	177	54.4	0	0	0	0	111	D478	T476-D478 VanDerWaalsContact C-N 3.28Å; T476-D478 WeakPolarHBondContact CB-OD2 3.46Å; T476-D478 PolarHBondContact O-N 2.92Å; T476-D478 VanDerWaalsContact O-N 3.09Å; T476-D478 PolarHBondContact OG1-OD2 2.99Å
477	T	61.5	Low	64.1	Low	34 Å²	34	68.3 Å²	68.3	21%	0.209	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	65.7	-178.9	49.3	0	0	0	0	112.1	N499 Y501	T477-N499 PolarHBondContact N-O 2.82Å; T477-N499 PolarHBondContact O-ND2 2.89Å; T477-N499 VanDerWaalsContact OG1-CA 3.23Å; T477-N499 WeakPolarHBondContact OG1-CA 3.42Å; T477-N499 PolarHBondContact OG1-ND2 3.34Å; T477-N499 PolarHBondContact OG1-O 3.44Å; T477-N499 VanDerWaalsContact OG1-O 3.1Å; T477-N499 PolarHBondContact OG1-OD1 2.78Å; T477-Y501 HydrophobicContact CG2-CD2 3.38Å; T477-Y501 HydrophobicContact CG2-CE2 3.37Å
478	D	53.7	Low	64	Low	121 Å²	121	64.3 Å²	64.3	65%	0.647	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-17.9	166.4	-50.5	-55.8	0	0	0	110.9	T476 A480	T476-D478 VanDerWaalsContact C-N 3.28Å; T476-D478 WeakPolarHBondContact CB-OD2 3.46Å; T476-D478 PolarHBondContact O-N 2.92Å; T476-D478 VanDerWaalsContact O-N 3.09Å; T476-D478 PolarHBondContact OG1-OD2 2.99Å; D478-A480 PolarHBondContact O-N 3.35Å
479	C	46.5	Very low	63.7	Low	72 Å²	72	65.2 Å²	65.2	49%	0.486	39%	0.389	S	S	.	.			trans	-84.4	96.8	173.1	-59.1	0	0	0	0	111.3	A481	C479-A481 PolarHBondContact O-N 3.17Å
480	A	44.6	Very low	63.6	Low	112 Å²	112	63 Å²	63	93%	0.926	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	28.7	-172.3	0	0	0	0	0	116.3	D478	D478-A480 PolarHBondContact O-N 3.35Å
481	A	46.1	Very low	63.6	Low	85 Å²	85	63.3 Å²	63.3	70%	0.702	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.1	5.4	-166.9	0	0	0	0	0	116.5	C479	C479-A481 PolarHBondContact O-N 3.17Å
482	L	52.4	Low	63.2	Low	63 Å²	63	65.7 Å²	65.7	33%	0.33	40%	0.396	S	S	.	.			trans	-107.8	110.8	-179.4	-68.7	167.8	0	0	0	111.7	L459 Q486	L459-L482 HydrophobicContact CD2-CD1 3.54Å; L482-Q486 HydrophobicContact CD2-CB 4.21Å
483	S	51.1	Low	62.4	Low	63 Å²	63	72.2 Å²	72.2	44%	0.441	43%	0.425	S	S	.	.			trans	-71	163.5	163.1	56.2	0	0	0	0	110.6	D485 Q486	S483-D485 PolarHBondContact O-N 3.02Å; S483-D485 VanDerWaalsContact O-N 3.12Å; S483-Q486 PolarHBondContact O-N 3.01Å
484	S	51	Low	61.9	Low	75 Å²	75	76 Å²	76	52%	0.524	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-55	-29.8	175.7	39.8	0	0	0	0	113.2	Q486 L487	S484-Q486 VanDerWaalsContact C-N 3.31Å; S484-Q486 PolarHBondContact O-N 3.45Å; S484-L487 PolarHBondContact O-N 3.45Å
485	D	49.3	Very low	61.3	Low	144 Å²	144	74.8 Å²	74.8	77%	0.77	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-88.5	-2.4	-164.8	-48.7	-8.3	0	0	0	112.3	S483	S483-D485 PolarHBondContact O-N 3.02Å; S483-D485 VanDerWaalsContact O-N 3.12Å
486	Q	57.3	Low	61	Low	131 Å²	131	80 Å²	80	61%	0.612	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-99.5	1.1	170	-68.7	-170.7	-11.4	0	0	113.2	L482 S483 S484	L482-Q486 HydrophobicContact CD2-CB 4.21Å; S483-Q486 PolarHBondContact O-N 3.01Å; S484-Q486 VanDerWaalsContact C-N 3.31Å; S484-Q486 PolarHBondContact O-N 3.45Å
487	L	63.3	Low	60.9	Low	27 Å²	27	82 Å²	82	14%	0.141	48%	0.476	C	S	.	.	S	Bend	trans	-75.5	130.7	174	-71.4	170.5	0	0	0	110.5	S484 I494	S484-L487 PolarHBondContact O-N 3.45Å; L487-I494 HydrophobicContact CD1-CD1 3.88Å
488	P	63.4	Low	61.3	Low	22 Å²	22	89.9 Å²	89.9	14%	0.143	51%	0.508	C	S	.	.			trans	-52.1	140	175.8	-29.7	34.4	0	0	0	113.9	Y457 E490 F491	Y457-P488 HydrophobicContact CD1-CG 3.53Å; Y457-P488 HydrophobicContact CD2-CG 3.98Å; Y457-P488 HydrophobicContact CE1-CB 3.94Å; Y457-P488 HydrophobicContact CE1-CG 3.32Å; Y457-P488 HydrophobicContact CE2-CB 4.08Å; Y457-P488 HydrophobicContact CE2-CG 3.78Å; Y457-P488 HydrophobicContact CG-CG 3.86Å; Y457-P488 VanDerWaalsContact CZ-CG 3.43Å; P488-E490 PolarHBondContact O-N 3.25Å; P488-E490 VanDerWaalsContact O-N 3.08Å; P488-F491 HydrophobicContact CB-CD2 4.07Å; P488-F491 HydrophobicContact CB-CE2 4.12Å; P488-F491 HydrophobicContact CG-CD2 4.17Å; P488-F491 HydrophobicContact CG-CE2 3.85Å; P488-F491 PolarHBondContact O-N 3.39Å
489	S	63.4	Low	62.1	Low	124 Å²	124	88.7 Å²	88.7	87%	0.867	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-10.2	175.7	51.1	0	0	0	0	114.3	F491	S489-F491 PolarHBondContact O-N 3Å
490	E	68.9	Low	63.5	Low	79 Å²	79	85.9 Å²	85.9	37%	0.369	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	168.5	-64.2	176.2	-167.4	0	0	112.6	K456 Y457 P488	K456-E490 IonicContact NZ-OE1 2.67Å; K456-E490 PolarHBondContact NZ-OE1 3.08Å; K456-E490 IonicContact NZ-OE2 3.72Å; K456-E490 PolarHBondContact NZ-OE2 3.04Å; Y457-E490 VanDerWaalsContact OH-CD 3.24Å; Y457-E490 PolarHBondContact OH-OE1 2.91Å; Y457-E490 PolarHBondContact OH-OE2 3.26Å; P488-E490 PolarHBondContact O-N 3.25Å; P488-E490 VanDerWaalsContact O-N 3.08Å
491	F	76.7	Confident	65.1	Low	14 Å²	14	82.6 Å²	82.6	6%	0.061	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.7	179.7	-59.7	-43.9	0	0	0	113.5	L453 Y457 L461 I473 P488 S489 F503	L453-F491 HydrophobicContact CD1-CE1 4.43Å; Y457-F491 HydrophobicContact CD2-CZ 4.35Å; L461-F491 HydrophobicContact CD1-CZ 4.33Å; I473-F491 HydrophobicContact CD1-CD1 4.36Å; I473-F491 HydrophobicContact CD1-CE1 3.86Å; P488-F491 HydrophobicContact CB-CD2 4.07Å; P488-F491 HydrophobicContact CB-CE2 4.12Å; P488-F491 HydrophobicContact CG-CD2 4.17Å; P488-F491 HydrophobicContact CG-CE2 3.85Å; P488-F491 PolarHBondContact O-N 3.39Å; S489-F491 PolarHBondContact O-N 3Å; F491-F503 HydrophobicContact CB-CB 4.44Å; F491-F503 HydrophobicContact CB-CD2 4Å; F491-F503 HydrophobicContact CB-CG 4.39Å; F491-F503 AromaticContact CD1-CD2 3.47Å; F491-F503 HydrophobicContact CD1-CD2 3.47Å; F491-F503 VanDerWaalsContact CD1-CD2 3.47Å; F491-F503 AromaticContact CD1-CE2 3.65Å; F491-F503 HydrophobicContact CD1-CE2 3.65Å; F491-F503 HydrophobicContact CD2-CD2 4.13Å; F491-F503 AromaticContact CD2-CE2 3.89Å; F491-F503 HydrophobicContact CD2-CE2 3.89Å; F491-F503 HydrophobicContact CD2-CZ 4.49Å; F491-F503 AromaticContact CE1-CD2 3.91Å; F491-F503 HydrophobicContact CE1-CD2 3.91Å; F491-F503 AromaticContact CE1-CE2 3.62Å; F491-F503 HydrophobicContact CE1-CE2 3.62Å; F491-F503 HydrophobicContact CE2-CD2 4.5Å; F491-F503 AromaticContact CE2-CE2 3.85Å; F491-F503 HydrophobicContact CE2-CE2 3.85Å; F491-F503 HydrophobicContact CE2-CZ 4.39Å; F491-F503 AromaticContact CG-CD2 3.6Å; F491-F503 HydrophobicContact CG-CD2 3.6Å; F491-F503 AromaticContact CG-CE2 3.8Å; F491-F503 HydrophobicContact CG-CE2 3.8Å; F491-F503 HydrophobicContact CG-CG 4.41Å; F491-F503 HydrophobicContact CZ-CD2 4.41Å; F491-F503 AromaticContact CZ-CE2 3.72Å; F491-F503 HydrophobicContact CZ-CE2 3.72Å
492	I	74.3	Confident	66.8	Low	72 Å²	72	78.8 Å²	78.8	37%	0.369	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.6	-169.9	-38.9	180	0	0	0	109.2	T504 A506	I492-T504 WeakPolarHBondContact CA-O 3.43Å; I492-T504 PolarHBondContact N-O 3.06Å; I492-T504 PolarHBondContact O-N 3.03Å; I492-T504 VanDerWaalsContact O-O 3.05Å; I492-T504 PolarHBondContact O-OG1 3.41Å; I492-A506 HydrophobicContact CD1-CB 4Å
493	K	67.3	Low	68.3	Low	161 Å²	161	75.9 Å²	75.9	70%	0.7	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.9	48.4	-179.4	-60.1	176.3	-179.1	172	0	113.5	S495	K493-S495 PolarHBondContact O-N 3.41Å
494	I	74.3	Confident	69.8	Low	81 Å²	81	73.7 Å²	73.7	42%	0.415	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.7	174.6	-56.8	162.9	0	0	0	109.7	L487 Y501 S502 F503	L487-I494 HydrophobicContact CD1-CD1 3.88Å; I494-Y501 HydrophobicContact CG2-CD1 3.96Å; I494-S502 CarbonylContact C-O 3.53Å; I494-S502 WeakPolarHBondContact CA-O 3.27Å; I494-F503 HydrophobicContact CG1-CB 4.03Å
495	S	70.3	Confident	71.4	Confident	35 Å²	35	70.6 Å²	70.6	25%	0.245	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.6	171	63.2	0	0	0	0	111.1	R469 K493 S502	R469-S495 PolarHBondContact NH1-OG 2.98Å; K493-S495 PolarHBondContact O-N 3.41Å; S495-S502 PolarHBondContact N-O 2.96Å; S495-S502 PolarHBondContact O-N 3.26Å; S495-S502 PolarHBondContact O-OG 3.05Å; S495-S502 PolarHBondContact OG-OG 3.26Å
496	K	73.1	Confident	73	Confident	121 Å²	121	65.8 Å²	65.8	53%	0.526	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.9	-179.2	-170.6	176.4	-169.8	161.2	0	110.3	Y501	K496-Y501 HydrophobicContact CB-CD1 4.04Å; K496-Y501 HydrophobicContact CB-CE1 3.94Å; K496-Y501 HydrophobicContact CD-CE1 3.81Å; K496-Y501 HydrophobicContact CD-CE2 4.25Å; K496-Y501 HydrophobicContact CG-CD1 4.21Å; K496-Y501 HydrophobicContact CG-CE1 3.97Å; K496-Y501 PolarHBondContact NZ-OH 3.37Å
497	V	71.1	Confident	74.3	Confident	85 Å²	85	63 Å²	63	52%	0.515	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	108.8	177.1	-177.1	0	0	0	0	108.9	N499 S500	V497-N499 PolarHBondContact O-N 2.55Å; V497-S500 PolarHBondContact N-O 2.94Å; V497-S500 PolarHBondContact O-N 2.75Å; V497-S500 PolarHBondContact O-OG 2.65Å
498	K	69.8	Low	75.4	Confident	201 Å²	201	61.7 Å²	61.7	87%	0.874	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	-109.7	-172.7	-64.6	-174.1	176.3	-175.8	0	111.7
499	N	69.2	Low	76.4	Confident	95 Å²	95	63.9 Å²	63.9	51%	0.508	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	32.2	-176.5	-145.7	58.3	0	0	0	113.3	T477 V497	T477-N499 PolarHBondContact N-O 2.82Å; T477-N499 PolarHBondContact O-ND2 2.89Å; T477-N499 VanDerWaalsContact OG1-CA 3.23Å; T477-N499 WeakPolarHBondContact OG1-CA 3.42Å; T477-N499 PolarHBondContact OG1-ND2 3.34Å; T477-N499 PolarHBondContact OG1-O 3.44Å; T477-N499 VanDerWaalsContact OG1-O 3.1Å; T477-N499 PolarHBondContact OG1-OD1 2.78Å; V497-N499 PolarHBondContact O-N 2.55Å
500	S	76.5	Confident	77.6	Confident	14 Å²	14	63.5 Å²	63.5	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.4	172.8	64.8	0	0	0	0	112.9	Q474 M475 V497	Q474-S500 PolarHBondContact NE2-OG 2.85Å; M475-S500 CarbonylContact O-C 3.58Å; M475-S500 WeakPolarHBondContact O-CA 3.43Å; M475-S500 WeakPolarHBondContact O-CB 3.23Å; V497-S500 PolarHBondContact N-O 2.94Å; V497-S500 PolarHBondContact O-N 2.75Å; V497-S500 PolarHBondContact O-OG 2.65Å
501	Y	79	Confident	78.4	Confident	42 Å²	42	61.4 Å²	61.4	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.5	164.6	-73.3	-88.5	0	0	0	109.3	Q474 M475 T477 I494 K496	Q474-Y501 WeakPolarHBondContact CA-O 3.43Å; M475-Y501 HydrophobicContact CE-CD2 4.04Å; M475-Y501 PolarHBondContact N-O 3.45Å; M475-Y501 PolarHBondContact O-N 2.91Å; T477-Y501 HydrophobicContact CG2-CD2 3.38Å; T477-Y501 HydrophobicContact CG2-CE2 3.37Å; I494-Y501 HydrophobicContact CG2-CD1 3.96Å; K496-Y501 HydrophobicContact CB-CD1 4.04Å; K496-Y501 HydrophobicContact CB-CE1 3.94Å; K496-Y501 HydrophobicContact CD-CE1 3.81Å; K496-Y501 HydrophobicContact CD-CE2 4.25Å; K496-Y501 HydrophobicContact CG-CD1 4.21Å; K496-Y501 HydrophobicContact CG-CE1 3.97Å; K496-Y501 PolarHBondContact NZ-OH 3.37Å
502	S	80.1	Confident	78.9	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.2	172.8	60.8	0	0	0	0	110.3	R469 I473 I494 S495	R469-S502 PolarHBondContact NH1-OG 3.41Å; I473-S502 CarbonylContact O-C 3.58Å; I473-S502 VanDerWaalsContact O-CA 3.29Å; I473-S502 WeakPolarHBondContact O-CA 3.48Å; I494-S502 CarbonylContact C-O 3.53Å; I494-S502 WeakPolarHBondContact CA-O 3.27Å; S495-S502 PolarHBondContact N-O 2.96Å; S495-S502 PolarHBondContact O-N 3.26Å; S495-S502 PolarHBondContact O-OG 3.05Å; S495-S502 PolarHBondContact OG-OG 3.26Å
503	F	84.5	Confident	79.5	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.009	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	170.6	-174.9	43.6	-93	0	0	0	112	L461 I473 M475 F491 I494	L461-F503 HydrophobicContact CD2-CE2 4.24Å; L461-F503 HydrophobicContact CD2-CZ 3.78Å; I473-F503 HydrophobicContact CB-CD2 3.82Å; I473-F503 HydrophobicContact CB-CE2 3.75Å; I473-F503 HydrophobicContact CB-CZ 4.47Å; I473-F503 HydrophobicContact CD1-CD2 4.19Å; I473-F503 HydrophobicContact CD1-CE2 4.14Å; I473-F503 HydrophobicContact CG2-CD2 4.05Å; I473-F503 HydrophobicContact CG2-CE2 3.44Å; I473-F503 VanDerWaalsContact CG2-CE2 3.44Å; I473-F503 HydrophobicContact CG2-CZ 3.84Å; I473-F503 PolarHBondContact N-O 3.5Å; I473-F503 PolarHBondContact O-N 3.05Å; M475-F503 HydrophobicContact CB-CE1 4.15Å; M475-F503 HydrophobicContact CB-CZ 4.32Å; F491-F503 HydrophobicContact CB-CB 4.44Å; F491-F503 HydrophobicContact CB-CD2 4Å; F491-F503 HydrophobicContact CB-CG 4.39Å; F491-F503 AromaticContact CD1-CD2 3.47Å; F491-F503 HydrophobicContact CD1-CD2 3.47Å; F491-F503 VanDerWaalsContact CD1-CD2 3.47Å; F491-F503 AromaticContact CD1-CE2 3.65Å; F491-F503 HydrophobicContact CD1-CE2 3.65Å; F491-F503 HydrophobicContact CD2-CD2 4.13Å; F491-F503 AromaticContact CD2-CE2 3.89Å; F491-F503 HydrophobicContact CD2-CE2 3.89Å; F491-F503 HydrophobicContact CD2-CZ 4.49Å; F491-F503 AromaticContact CE1-CD2 3.91Å; F491-F503 HydrophobicContact CE1-CD2 3.91Å; F491-F503 AromaticContact CE1-CE2 3.62Å; F491-F503 HydrophobicContact CE1-CE2 3.62Å; F491-F503 HydrophobicContact CE2-CD2 4.5Å; F491-F503 AromaticContact CE2-CE2 3.85Å; F491-F503 HydrophobicContact CE2-CE2 3.85Å; F491-F503 HydrophobicContact CE2-CZ 4.39Å; F491-F503 AromaticContact CG-CD2 3.6Å; F491-F503 HydrophobicContact CG-CD2 3.6Å; F491-F503 AromaticContact CG-CE2 3.8Å; F491-F503 HydrophobicContact CG-CE2 3.8Å; F491-F503 HydrophobicContact CG-CG 4.41Å; F491-F503 HydrophobicContact CZ-CD2 4.41Å; F491-F503 AromaticContact CZ-CE2 3.72Å; F491-F503 HydrophobicContact CZ-CE2 3.72Å; I494-F503 HydrophobicContact CG1-CB 4.03Å
504	T	82.4	Confident	80.4	Confident	16 Å²	16	64.5 Å²	64.5	10%	0.098	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153	-176.5	51.1	0	0	0	0	110.7	F472 I492	F472-T504 HydrophobicContact CB-CG2 4Å; I492-T504 WeakPolarHBondContact CA-O 3.43Å; I492-T504 PolarHBondContact N-O 3.06Å; I492-T504 PolarHBondContact O-N 3.03Å; I492-T504 VanDerWaalsContact O-O 3.05Å; I492-T504 PolarHBondContact O-OG1 3.41Å
505	S	84.6	Confident	80.9	Confident	11 Å²	11	60.6 Å²	60.6	8%	0.077	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.4	170.2	166.3	0	0	0	0	110.5	D507 L508 I509	S505-D507 VanDerWaalsContact C-N 3.27Å; S505-D507 PolarHBondContact O-N 3.14Å; S505-D507 PolarHBondContact OG-N 3.15Å; S505-L508 PolarHBondContact O-N 2.9Å; S505-I509 WeakPolarHBondContact O-CG1 3.05Å; S505-I509 PolarHBondContact O-N 2.83Å
506	A	84.1	Confident	81.6	Confident	43 Å²	43	63 Å²	63	36%	0.355	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-39.8	174	0	0	0	0	0	112.3	I492 I509 K510	I492-A506 HydrophobicContact CD1-CB 4Å; A506-I509 PolarHBondContact O-N 3.39Å; A506-K510 PolarHBondContact O-N 3.33Å
507	D	84.9	Confident	82.2	Confident	71 Å²	71	63.3 Å²	63.3	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-78.1	-32.7	179.7	-60.9	-58.1	0	0	0	112.2	M449 S505 I509 K510 M511	M449-D507 HydrophobicContact CE-CB 3.85Å; M449-D507 HydrophobicContact SD-CB 4.3Å; S505-D507 VanDerWaalsContact C-N 3.27Å; S505-D507 PolarHBondContact O-N 3.14Å; S505-D507 PolarHBondContact OG-N 3.15Å; D507-I509 PolarHBondContact O-N 2.86Å; D507-K510 PolarHBondContact O-N 2.81Å; D507-K510 WeakPolarHBondContact OD1-CE 3.47Å; D507-K510 IonicContact OD1-NZ 2.83Å; D507-K510 PolarHBondContact OD1-NZ 2.79Å; D507-M511 PolarHBondContact O-N 3.28Å
508	L	85.4	Confident	82.9	Confident	1 Å²	1	60 Å²	60	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-30.6	169.1	-176	61.5	0	0	0	111.9	I446 I450 F471 I473 S505 N512	I446-L508 HydrophobicContact CG1-CD1 4.2Å; I446-L508 HydrophobicContact CG2-CD1 3.75Å; I450-L508 HydrophobicContact CD1-CD1 4.22Å; I450-L508 HydrophobicContact CD1-CD2 4.26Å; F471-L508 HydrophobicContact CB-CD1 4.39Å; I473-L508 HydrophobicContact CD1-CD2 4.34Å; I473-L508 HydrophobicContact CG1-CD2 3.94Å; S505-L508 PolarHBondContact O-N 2.9Å; L508-N512 VanDerWaalsContact O-CB 3.31Å; L508-N512 WeakPolarHBondContact O-CB 3.47Å; L508-N512 PolarHBondContact O-N 3.09Å; L508-N512 PolarHBondContact O-ND2 3.25Å
509	I	85.3	Confident	83.5	Confident	68 Å²	68	50.8 Å²	50.8	35%	0.349	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-45.6	172.8	-69.4	164.7	0	0	0	110.6	S505 A506 D507 M511 N512 E513	S505-I509 WeakPolarHBondContact O-CG1 3.05Å; S505-I509 PolarHBondContact O-N 2.83Å; A506-I509 PolarHBondContact O-N 3.39Å; D507-I509 PolarHBondContact O-N 2.86Å; I509-M511 PolarHBondContact O-N 2.87Å; I509-N512 WeakPolarHBondContact O-CB 3.26Å; I509-N512 PolarHBondContact O-N 3.18Å; I509-E513 PolarHBondContact O-N 3.19Å
510	K	87.7	Confident	84.2	Confident	115 Å²	115	52.4 Å²	52.4	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-42.3	175.4	-60.6	168.8	-164.9	163.3	0	112.1	A506 D507 E513 R514	A506-K510 PolarHBondContact O-N 3.33Å; D507-K510 PolarHBondContact O-N 2.81Å; D507-K510 WeakPolarHBondContact OD1-CE 3.47Å; D507-K510 IonicContact OD1-NZ 2.83Å; D507-K510 PolarHBondContact OD1-NZ 2.79Å; K510-E513 PolarHBondContact O-N 3.32Å; K510-R514 PolarHBondContact O-N 2.93Å; K510-R514 VanDerWaalsContact O-N 3.08Å
511	M	85.4	Confident	84.6	Confident	35 Å²	35	56.9 Å²	56.9	17%	0.172	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-38.1	176.2	-74.7	-175.8	158.2	0	0	112	D445 I446 M449 D507 I509 E513 C515	D445-M511 HydrophobicContact CB-CE 3.76Å; D445-M511 HydrophobicContact CB-SD 4.4Å; I446-M511 HydrophobicContact CD1-CB 3.97Å; I446-M511 HydrophobicContact CG1-CB 3.74Å; I446-M511 HydrophobicContact CG1-CG 4.39Å; I446-M511 HydrophobicContact CG1-SD 3.84Å; M449-M511 HydrophobicContact CE-CE 3.76Å; M449-M511 HydrophobicContact CE-SD 3.46Å; M449-M511 WeakPolarHBondContact CE-SD 3.22Å; M449-M511 HydrophobicContact SD-SD 4.25Å; D507-M511 PolarHBondContact O-N 3.28Å; I509-M511 PolarHBondContact O-N 2.87Å; M511-E513 VanDerWaalsContact C-N 3.31Å; M511-E513 PolarHBondContact O-N 3.05Å; M511-C515 WeakPolarHBondContact O-CB 3.24Å; M511-C515 PolarHBondContact O-N 3.29Å
512	N	86.9	Confident	84.9	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-37.6	171.1	-92.3	-69.1	0	0	0	112.9	G470 F471 L508 I509 Q516	G470-N512 VanDerWaalsContact CA-OD1 3.31Å; G470-N512 WeakPolarHBondContact CA-OD1 3.47Å; F471-N512 PolarHBondContact N-OD1 3.16Å; F471-N512 PolarHBondContact O-ND2 2.85Å; L508-N512 VanDerWaalsContact O-CB 3.31Å; L508-N512 WeakPolarHBondContact O-CB 3.47Å; L508-N512 PolarHBondContact O-N 3.09Å; L508-N512 PolarHBondContact O-ND2 3.25Å; I509-N512 WeakPolarHBondContact O-CB 3.26Å; I509-N512 PolarHBondContact O-N 3.18Å; N512-Q516 WeakPolarHBondContact O-CG 3.43Å; N512-Q516 PolarHBondContact O-N 3.1Å
513	E	86.6	Confident	85	Confident	135 Å²	135	55.3 Å²	55.3	63%	0.631	26%	0.26	S	S	*	.	H	α-helix	trans	-66.6	-50.9	178.1	-173.5	162.7	-139.3	0	0	111.2	I509 K510 M511 C515 Q516 E517	I509-E513 PolarHBondContact O-N 3.19Å; K510-E513 PolarHBondContact O-N 3.32Å; M511-E513 VanDerWaalsContact C-N 3.31Å; M511-E513 PolarHBondContact O-N 3.05Å; E513-C515 VanDerWaalsContact C-N 3.32Å; E513-C515 PolarHBondContact O-N 2.98Å; E513-Q516 WeakPolarHBondContact O-CB 3.38Å; E513-Q516 PolarHBondContact O-N 3.11Å; E513-Q516 VanDerWaalsContact O-N 3.07Å; E513-E517 PolarHBondContact O-N 3.4Å
514	R	86.5	Confident	85	Confident	164 Å²	164	59.5 Å²	59.5	62%	0.619	28%	0.279	S	S	*	.	H	α-helix	trans	-56.1	-44.8	171.7	-70	178	172.9	-174.4	-3.7	112.4	I442 K510 Q516 E517 S518	I442-R514 HydrophobicContact CD1-CB 4.28Å; K510-R514 PolarHBondContact O-N 2.93Å; K510-R514 VanDerWaalsContact O-N 3.08Å; R514-Q516 VanDerWaalsContact C-N 3.26Å; R514-Q516 PolarHBondContact O-N 3.4Å; R514-E517 WeakPolarHBondContact O-CB 3.48Å; R514-E517 PolarHBondContact O-N 3.46Å; R514-S518 PolarHBondContact O-N 3.24Å; R514-S518 PolarHBondContact O-OG 2.96Å
515	C	85.2	Confident	85	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-32.7	176.9	-176.5	0	0	0	0	112.6	R417 Y439 I442 M511 E513 L519	R417-C515 PolarHBondContact NH2-SG 3.39Å; Y439-C515 WeakPolarHBondContact CE2-SG 3.21Å; I442-C515 HydrophobicContact CG2-CB 3.8Å; M511-C515 WeakPolarHBondContact O-CB 3.24Å; M511-C515 PolarHBondContact O-N 3.29Å; E513-C515 VanDerWaalsContact C-N 3.32Å; E513-C515 PolarHBondContact O-N 2.98Å; C515-L519 WeakPolarHBondContact O-CD1 3.45Å; C515-L519 VanDerWaalsContact O-CG 3.27Å; C515-L519 WeakPolarHBondContact O-CG 3.49Å; C515-L519 PolarHBondContact O-N 3.42Å
516	Q	84.6	Confident	85	Confident	86 Å²	86	60 Å²	60	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-75.4	-35.9	171.3	-76	-175.8	39.4	0	0	112.8	N512 E513 R514 L519 R520	N512-Q516 WeakPolarHBondContact O-CG 3.43Å; N512-Q516 PolarHBondContact O-N 3.1Å; E513-Q516 WeakPolarHBondContact O-CB 3.38Å; E513-Q516 PolarHBondContact O-N 3.11Å; E513-Q516 VanDerWaalsContact O-N 3.07Å; R514-Q516 VanDerWaalsContact C-N 3.26Å; R514-Q516 PolarHBondContact O-N 3.4Å; Q516-L519 PolarHBondContact O-N 3.19Å; Q516-R520 WeakPolarHBondContact O-CG 3.16Å; Q516-R520 PolarHBondContact O-N 2.85Å
517	E	85.8	Confident	85	Confident	127 Å²	127	58.6 Å²	58.6	59%	0.593	27%	0.265	S	S	*	.	H	α-helix	trans	-64.6	-53.3	179.5	-172	161.8	-132.4	0	0	111.4	E513 R514 L519 R520 E521	E513-E517 PolarHBondContact O-N 3.4Å; R514-E517 WeakPolarHBondContact O-CB 3.48Å; R514-E517 PolarHBondContact O-N 3.46Å; E517-L519 PolarHBondContact O-N 3.28Å; E517-L519 VanDerWaalsContact O-N 3.15Å; E517-R520 WeakPolarHBondContact O-CB 2.98Å; E517-R520 PolarHBondContact O-N 3.09Å; E517-E521 PolarHBondContact O-N 2.91Å; E517-E521 VanDerWaalsContact O-N 3.16Å
518	S	85.8	Confident	84.9	Confident	14 Å²	14	60.1 Å²	60.1	10%	0.098	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-29.2	174.5	-53	0	0	0	0	112.7	R514 I522	R514-S518 PolarHBondContact O-N 3.24Å; R514-S518 PolarHBondContact O-OG 2.96Å; S518-I522 WeakPolarHBondContact O-CB 3.27Å; S518-I522 WeakPolarHBondContact O-CD1 3.33Å; S518-I522 WeakPolarHBondContact O-CG1 3.41Å; S518-I522 PolarHBondContact O-N 2.91Å
519	L	83.3	Confident	84.8	Confident	8 Å²	8	61.5 Å²	61.5	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-73.7	-35.1	174.1	-80.9	176.7	0	0	0	114.3	C421 Y439 C515 Q516 E517 E521 I522 Y523	C421-L519 WeakPolarHBondContact SG-CD2 3.28Å; Y439-L519 HydrophobicContact CD2-CD1 4.28Å; Y439-L519 HydrophobicContact CD2-CD2 3.81Å; Y439-L519 HydrophobicContact CD2-CG 3.67Å; Y439-L519 HydrophobicContact CE2-CD1 3.53Å; Y439-L519 HydrophobicContact CE2-CD2 3.6Å; Y439-L519 HydrophobicContact CE2-CG 3.42Å; Y439-L519 VanDerWaalsContact CE2-CG 3.42Å; Y439-L519 HydrophobicContact CG-CD2 4.4Å; C515-L519 WeakPolarHBondContact O-CD1 3.45Å; C515-L519 VanDerWaalsContact O-CG 3.27Å; C515-L519 WeakPolarHBondContact O-CG 3.49Å; C515-L519 PolarHBondContact O-N 3.42Å; Q516-L519 PolarHBondContact O-N 3.19Å; E517-L519 PolarHBondContact O-N 3.28Å; E517-L519 VanDerWaalsContact O-N 3.15Å; L519-E521 VanDerWaalsContact C-N 3.27Å; L519-I522 HydrophobicContact CD2-CD1 4.29Å; L519-I522 PolarHBondContact O-N 3.16Å; L519-Y523 HydrophobicContact CD2-CE1 4.33Å; L519-Y523 VanDerWaalsContact O-CB 3.29Å; L519-Y523 WeakPolarHBondContact O-CB 3.45Å; L519-Y523 VanDerWaalsContact O-CG 3.24Å; L519-Y523 PolarHBondContact O-N 3.44Å
520	R	83.9	Confident	84.8	Confident	130 Å²	130	58.3 Å²	58.3	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-40	174.1	-67.6	167.3	-165.2	168.8	8.4	110	V345 Q516 E517 H524	V345-R520 HydrophobicContact CG1-CG 4.27Å; V345-R520 HydrophobicContact CG2-CB 4.42Å; V345-R520 HydrophobicContact CG2-CG 4.16Å; Q516-R520 WeakPolarHBondContact O-CG 3.16Å; Q516-R520 PolarHBondContact O-N 2.85Å; E517-R520 WeakPolarHBondContact O-CB 2.98Å; E517-R520 PolarHBondContact O-N 3.09Å; R520-H524 VanDerWaalsContact O-CB 3.27Å; R520-H524 WeakPolarHBondContact O-CB 3.41Å; R520-H524 PolarHBondContact O-N 3.39Å
521	E	84.6	Confident	84.5	Confident	108 Å²	108	54.7 Å²	54.7	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-56	172.9	179.8	169.2	-135.4	0	0	111.7	A435 E517 L519 Y523 H524 M525	A435-E521 HydrophobicContact CB-CG 4.49Å; E517-E521 PolarHBondContact O-N 2.91Å; E517-E521 VanDerWaalsContact O-N 3.16Å; L519-E521 VanDerWaalsContact C-N 3.27Å; E521-Y523 VanDerWaalsContact C-N 3.31Å; E521-Y523 PolarHBondContact O-N 3.33Å; E521-H524 PolarHBondContact O-N 3.33Å; E521-H524 VanDerWaalsContact O-N 3.12Å; E521-M525 HydrophobicContact CG-CG 4.48Å; E521-M525 HydrophobicContact CG-SD 3.48Å; E521-M525 WeakPolarHBondContact CG-SD 3.22Å; E521-M525 WeakPolarHBondContact O-CB 3.49Å; E521-M525 VanDerWaalsContact O-CG 3.27Å; E521-M525 WeakPolarHBondContact O-CG 3.47Å; E521-M525 PolarHBondContact O-N 3.18Å
522	I	84.8	Confident	84.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-51.7	-48	175.2	-72.2	163.8	0	0	0	111.3	L432 A435 R436 Y439 S518 L519 T526	L432-I522 HydrophobicContact CD1-CB 4.45Å; L432-I522 HydrophobicContact CD1-CG2 4.11Å; A435-I522 HydrophobicContact CB-CG1 3.77Å; R436-I522 HydrophobicContact CG-CD1 4.34Å; R436-I522 HydrophobicContact CG-CG1 4.48Å; Y439-I522 HydrophobicContact CG-CD1 4.1Å; S518-I522 WeakPolarHBondContact O-CB 3.27Å; S518-I522 WeakPolarHBondContact O-CD1 3.33Å; S518-I522 WeakPolarHBondContact O-CG1 3.41Å; S518-I522 PolarHBondContact O-N 2.91Å; L519-I522 HydrophobicContact CD2-CD1 4.29Å; L519-I522 PolarHBondContact O-N 3.16Å; I522-T526 WeakPolarHBondContact O-CB 3.12Å; I522-T526 PolarHBondContact O-N 3.48Å; I522-T526 PolarHBondContact O-OG1 2.94Å
523	Y	83.6	Confident	84.4	Confident	15 Å²	15	59.8 Å²	59.8	6%	0.059	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-40	-179.8	-72.9	-2.5	0	0	0	112.5	V345 E349 K420 L519 E521 Y527	V345-Y523 HydrophobicContact CG1-CD2 4.1Å; E349-Y523 HydrophobicContact CB-CD2 4.19Å; E349-Y523 HydrophobicContact CB-CE2 4.19Å; E349-Y523 HydrophobicContact CG-CD2 4.26Å; E349-Y523 HydrophobicContact CG-CE2 3.78Å; K420-Y523 HydrophobicContact CB-CE1 3.87Å; L519-Y523 HydrophobicContact CD2-CE1 4.33Å; L519-Y523 VanDerWaalsContact O-CB 3.29Å; L519-Y523 WeakPolarHBondContact O-CB 3.45Å; L519-Y523 VanDerWaalsContact O-CG 3.24Å; L519-Y523 PolarHBondContact O-N 3.44Å; E521-Y523 VanDerWaalsContact C-N 3.31Å; E521-Y523 PolarHBondContact O-N 3.33Å; Y523-Y527 WeakPolarHBondContact O-CB 3.48Å; Y523-Y527 PolarHBondContact O-N 3.33Å
524	H	82.9	Confident	84.2	Confident	89 Å²	89	53.4 Å²	53.4	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-43.9	177.9	-177.2	69.1	0	0	0	111.9	R520 E521 Y527 M528	R520-H524 VanDerWaalsContact O-CB 3.27Å; R520-H524 WeakPolarHBondContact O-CB 3.41Å; R520-H524 PolarHBondContact O-N 3.39Å; E521-H524 PolarHBondContact O-N 3.33Å; E521-H524 VanDerWaalsContact O-N 3.12Å; H524-Y527 WeakPolarHBondContact O-CB 3.44Å; H524-Y527 PolarHBondContact O-N 2.95Å; H524-M528 WeakPolarHBondContact O-CG 3.37Å; H524-M528 PolarHBondContact O-N 2.91Å
525	M	83.8	Confident	84	Confident	39 Å²	39	49 Å²	49	19%	0.192	24%	0.236	C	C	.	.	H	α-helix	trans	-67.4	-42	177.3	-64	165.5	76.9	0	0	111.9	F431 L432 A435 E521 Y527 M528 I529	F431-M525 HydrophobicContact CB-CE 3.35Å; F431-M525 WeakPolarHBondContact O-CE 3.49Å; L432-M525 HydrophobicContact CB-CE 4.37Å; L432-M525 HydrophobicContact CD1-CB 4.2Å; A435-M525 HydrophobicContact CB-SD 4.42Å; E521-M525 HydrophobicContact CG-CG 4.48Å; E521-M525 HydrophobicContact CG-SD 3.48Å; E521-M525 WeakPolarHBondContact CG-SD 3.22Å; E521-M525 WeakPolarHBondContact O-CB 3.49Å; E521-M525 VanDerWaalsContact O-CG 3.27Å; E521-M525 WeakPolarHBondContact O-CG 3.47Å; E521-M525 PolarHBondContact O-N 3.18Å; M525-Y527 VanDerWaalsContact C-N 3.32Å; M525-Y527 PolarHBondContact O-N 3.42Å; M525-M528 PolarHBondContact O-N 3.3Å; M525-I529 PolarHBondContact O-N 3.47Å
526	T	83.8	Confident	83.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-44	173	-57.5	0	0	0	0	110.3	I352 V424 I522 M528 I529 V530	I352-T526 HydrophobicContact CD1-CG2 3.65Å; I352-T526 HydrophobicContact CG1-CG2 3.84Å; I352-T526 HydrophobicContact CG2-CG2 4.37Å; V424-T526 HydrophobicContact CG2-CG2 3.79Å; I522-T526 WeakPolarHBondContact O-CB 3.12Å; I522-T526 PolarHBondContact O-N 3.48Å; I522-T526 PolarHBondContact O-OG1 2.94Å; T526-M528 PolarHBondContact O-N 2.96Å; T526-I529 PolarHBondContact O-N 3.27Å; T526-V530 HydrophobicContact CG2-CG2 4.31Å; T526-V530 WeakPolarHBondContact O-CB 3.44Å; T526-V530 VanDerWaalsContact O-CG2 3.3Å; T526-V530 WeakPolarHBondContact O-CG2 3.37Å; T526-V530 PolarHBondContact O-N 2.99Å
527	Y	83.3	Confident	84	Confident	13 Å²	13	49.4 Å²	49.4	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-40.6	175.6	167.7	-105.4	0	0	0	113	D343 A348 K351 Y523 H524 M525 I529 V530 C531	D343-Y527 HydrophobicContact CB-CE1 4.26Å; D343-Y527 WeakPolarHBondContact OD1-CE1 3.31Å; D343-Y527 VanDerWaalsContact OD1-CZ 3.25Å; D343-Y527 PolarHBondContact OD1-OH 2.93Å; A348-Y527 HydrophobicContact CB-CD1 4.32Å; A348-Y527 HydrophobicContact CB-CD2 3.98Å; A348-Y527 HydrophobicContact CB-CG 3.74Å; K351-Y527 HydrophobicContact CB-CD2 4.18Å; K351-Y527 HydrophobicContact CB-CE2 4.39Å; K351-Y527 HydrophobicContact CG-CD2 4.35Å; K351-Y527 HydrophobicContact CG-CE2 4.06Å; Y523-Y527 WeakPolarHBondContact O-CB 3.48Å; Y523-Y527 PolarHBondContact O-N 3.33Å; H524-Y527 WeakPolarHBondContact O-CB 3.44Å; H524-Y527 PolarHBondContact O-N 2.95Å; M525-Y527 VanDerWaalsContact C-N 3.32Å; M525-Y527 PolarHBondContact O-N 3.42Å; Y527-I529 VanDerWaalsContact C-N 3.3Å; Y527-I529 PolarHBondContact O-N 2.99Å; Y527-V530 PolarHBondContact O-N 3.22Å; Y527-C531 WeakPolarHBondContact CE2-SG 3.42Å; Y527-C531 WeakPolarHBondContact O-CB 3.39Å; Y527-C531 PolarHBondContact O-N 3.37Å; Y527-C531 PolarHBondContact O-SG 2.9Å; Y527-C531 VanDerWaalsContact O-SG 3.42Å
528	M	83.3	Confident	83.6	Confident	103 Å²	103	45.1 Å²	45.1	51%	0.507	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-37.4	174.6	-66.1	-129.4	80	0	0	112.9	H524 M525 T526 K532	H524-M528 WeakPolarHBondContact O-CG 3.37Å; H524-M528 PolarHBondContact O-N 2.91Å; M525-M528 PolarHBondContact O-N 3.3Å; T526-M528 PolarHBondContact O-N 2.96Å; M528-K532 WeakPolarHBondContact O-CG 3.23Å; M528-K532 PolarHBondContact O-N 3.41Å
529	I	84.6	Confident	83.4	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-45.6	174.8	-62.9	166.6	0	0	0	110.2	V402 V424 I428 L432 M525 T526 Y527 C531 K532 L533	V402-I529 HydrophobicContact CG1-CG2 3.85Å; V424-I529 HydrophobicContact CG1-CD1 4.28Å; V424-I529 HydrophobicContact CG1-CG2 4.36Å; V424-I529 HydrophobicContact CG2-CG2 4.29Å; I428-I529 HydrophobicContact CG2-CD1 4.32Å; I428-I529 HydrophobicContact CG2-CG2 4.3Å; L432-I529 HydrophobicContact CD2-CD1 3.93Å; M525-I529 PolarHBondContact O-N 3.47Å; T526-I529 PolarHBondContact O-N 3.27Å; Y527-I529 VanDerWaalsContact C-N 3.3Å; Y527-I529 PolarHBondContact O-N 2.99Å; I529-C531 VanDerWaalsContact C-N 3.35Å; I529-C531 PolarHBondContact O-N 2.92Å; I529-K532 PolarHBondContact O-N 3.03Å; I529-L533 PolarHBondContact O-N 2.81Å; I529-L533 VanDerWaalsContact O-N 3.11Å
530	V	83.6	Confident	83.3	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-40.7	177.6	164.8	0	0	0	0	112	K351 I352 L355 T526 Y527 K532 L533 L534	K351-V530 HydrophobicContact CB-CG1 4.48Å; I352-V530 HydrophobicContact CG1-CG2 4.27Å; L355-V530 HydrophobicContact CB-CG1 4.49Å; L355-V530 HydrophobicContact CD2-CB 4.31Å; L355-V530 HydrophobicContact CD2-CG1 3.99Å; L355-V530 HydrophobicContact CD2-CG2 3.66Å; T526-V530 HydrophobicContact CG2-CG2 4.31Å; T526-V530 WeakPolarHBondContact O-CB 3.44Å; T526-V530 VanDerWaalsContact O-CG2 3.3Å; T526-V530 WeakPolarHBondContact O-CG2 3.37Å; T526-V530 PolarHBondContact O-N 2.99Å; Y527-V530 PolarHBondContact O-N 3.22Å; V530-K532 PolarHBondContact O-N 2.96Å; V530-L533 PolarHBondContact O-N 3.42Å; V530-L534 HydrophobicContact CG1-CD1 3.75Å; V530-L534 HydrophobicContact CG1-CG 4.16Å; V530-L534 WeakPolarHBondContact O-CB 3.43Å; V530-L534 VanDerWaalsContact O-CG 3.29Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3.26Å
531	C	81.9	Confident	83	Confident	39 Å²	39	47.5 Å²	47.5	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-67.8	-32.9	178.1	-75.7	0	0	0	0	113.3	Y527 I529 S535	Y527-C531 WeakPolarHBondContact CE2-SG 3.42Å; Y527-C531 WeakPolarHBondContact O-CB 3.39Å; Y527-C531 PolarHBondContact O-N 3.37Å; Y527-C531 PolarHBondContact O-SG 2.9Å; Y527-C531 VanDerWaalsContact O-SG 3.42Å; I529-C531 VanDerWaalsContact C-N 3.35Å; I529-C531 PolarHBondContact O-N 2.92Å; C531-S535 PolarHBondContact O-N 3.04Å; C531-S535 VanDerWaalsContact O-N 3.1Å; C531-S535 PolarHBondContact O-OG 3.19Å
532	K	84.3	Confident	82.4	Confident	148 Å²	148	42.9 Å²	42.9	64%	0.643	21%	0.21	S	C	*	.	H	α-helix	trans	-64.6	-51.8	171	-70.2	175.1	-179.2	-178.4	0	110.6	M528 I529 V530 L534 S535 E536	M528-K532 WeakPolarHBondContact O-CG 3.23Å; M528-K532 PolarHBondContact O-N 3.41Å; I529-K532 PolarHBondContact O-N 3.03Å; V530-K532 PolarHBondContact O-N 2.96Å; K532-L534 PolarHBondContact O-N 3.4Å; K532-S535 WeakPolarHBondContact O-CB 3.24Å; K532-S535 PolarHBondContact O-N 3.32Å; K532-S535 VanDerWaalsContact O-N 3.11Å; K532-E536 PolarHBondContact O-N 2.79Å
533	L	85.2	Confident	82.3	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-44.2	177.3	175.1	64.2	0	0	0	112.3	L355 K398 I399 V402 I529 V530 S535 E536 I537	L355-L533 HydrophobicContact CD1-CD2 4.29Å; L355-L533 HydrophobicContact CD2-CD2 3.94Å; K398-L533 HydrophobicContact CB-CD1 4.06Å; K398-L533 WeakPolarHBondContact O-CD1 3.4Å; I399-L533 HydrophobicContact CG1-CD2 4.46Å; V402-L533 HydrophobicContact CB-CD2 3.93Å; V402-L533 HydrophobicContact CG1-CD2 4.05Å; V402-L533 HydrophobicContact CG2-CD1 4.24Å; V402-L533 HydrophobicContact CG2-CD2 4.16Å; I529-L533 PolarHBondContact O-N 2.81Å; I529-L533 VanDerWaalsContact O-N 3.11Å; V530-L533 PolarHBondContact O-N 3.42Å; L533-S535 VanDerWaalsContact C-N 3.27Å; L533-S535 PolarHBondContact O-N 2.99Å; L533-E536 WeakPolarHBondContact O-CB 3.42Å; L533-E536 PolarHBondContact O-N 3.45Å; L533-E536 VanDerWaalsContact O-N 3.15Å; L533-I537 HydrophobicContact CD1-CD1 4.11Å; L533-I537 HydrophobicContact CD1-CG1 4.43Å; L533-I537 HydrophobicContact CD2-CD1 4.44Å; L533-I537 HydrophobicContact CG-CD1 3.86Å; L533-I537 WeakPolarHBondContact O-CG1 3.33Å; L533-I537 PolarHBondContact O-N 2.9Å
534	L	82.8	Confident	82.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-34.2	177.1	-75.7	174.8	0	0	0	112.5	L336 K351 L355 V530 K532 E536 I537 Y538	L336-L534 HydrophobicContact CD2-CD1 4.3Å; L336-L534 HydrophobicContact CD2-CD2 3.85Å; K351-L534 HydrophobicContact CD-CD1 4.3Å; L355-L534 HydrophobicContact CD1-CD2 3.89Å; L355-L534 HydrophobicContact CD1-CG 4.43Å; V530-L534 HydrophobicContact CG1-CD1 3.75Å; V530-L534 HydrophobicContact CG1-CG 4.16Å; V530-L534 WeakPolarHBondContact O-CB 3.43Å; V530-L534 VanDerWaalsContact O-CG 3.29Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3.26Å; K532-L534 PolarHBondContact O-N 3.4Å; L534-E536 VanDerWaalsContact C-N 3.28Å; L534-E536 PolarHBondContact O-N 3.06Å; L534-I537 HydrophobicContact CD2-CD1 4.44Å; L534-I537 PolarHBondContact O-N 2.79Å; L534-I537 VanDerWaalsContact O-N 3.1Å; L534-Y538 HydrophobicContact CB-CE1 4.34Å; L534-Y538 HydrophobicContact CB-CE2 4.37Å; L534-Y538 WeakPolarHBondContact O-CD1 3.36Å; L534-Y538 VanDerWaalsContact O-CD2 3.31Å; L534-Y538 WeakPolarHBondContact O-CD2 3.19Å; L534-Y538 PolarHBondContact O-N 3.06Å
535	S	82.4	Confident	81.5	Confident	71 Å²	71	38.9 Å²	38.9	50%	0.497	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-38.1	175.1	-57.1	0	0	0	0	111.9	C531 K532 L533	C531-S535 PolarHBondContact O-N 3.04Å; C531-S535 VanDerWaalsContact O-N 3.1Å; C531-S535 PolarHBondContact O-OG 3.19Å; K532-S535 WeakPolarHBondContact O-CB 3.24Å; K532-S535 PolarHBondContact O-N 3.32Å; K532-S535 VanDerWaalsContact O-N 3.11Å; L533-S535 VanDerWaalsContact C-N 3.27Å; L533-S535 PolarHBondContact O-N 2.99Å
536	E	84.4	Confident	81.1	Confident	90 Å²	90	40.2 Å²	40.2	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-71.8	-30	172.7	-63.8	-176.2	-133.7	0	0	113.4	K398 K532 L533 L534	K398-E536 HydrophobicContact CD-CB 4.42Å; K398-E536 WeakPolarHBondContact CE-OE2 3.41Å; K398-E536 IonicContact NZ-OE2 2.74Å; K398-E536 PolarHBondContact NZ-OE2 3.16Å; K532-E536 PolarHBondContact O-N 2.79Å; L533-E536 WeakPolarHBondContact O-CB 3.42Å; L533-E536 PolarHBondContact O-N 3.45Å; L533-E536 VanDerWaalsContact O-N 3.15Å; L534-E536 VanDerWaalsContact C-N 3.28Å; L534-E536 PolarHBondContact O-N 3.06Å
537	I	85.3	Confident	81.1	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-75.8	-30.4	178.5	-66.4	170.7	0	0	0	111.2	L355 L358 I395 I399 L533 L534 E539 H540 I541	L355-I537 HydrophobicContact CD1-CD1 4.32Å; L358-I537 HydrophobicContact CD2-CD1 4.41Å; L358-I537 HydrophobicContact CD2-CG2 4.32Å; I395-I537 HydrophobicContact CG2-CD1 4.23Å; I395-I537 HydrophobicContact CG2-CG1 4.16Å; I395-I537 HydrophobicContact CG2-CG2 4.05Å; I399-I537 HydrophobicContact CD1-CD1 4.09Å; I399-I537 HydrophobicContact CG1-CD1 3.89Å; L533-I537 HydrophobicContact CD1-CD1 4.11Å; L533-I537 HydrophobicContact CD1-CG1 4.43Å; L533-I537 HydrophobicContact CD2-CD1 4.44Å; L533-I537 HydrophobicContact CG-CD1 3.86Å; L533-I537 WeakPolarHBondContact O-CG1 3.33Å; L533-I537 PolarHBondContact O-N 2.9Å; L534-I537 HydrophobicContact CD2-CD1 4.44Å; L534-I537 PolarHBondContact O-N 2.79Å; L534-I537 VanDerWaalsContact O-N 3.1Å; I537-E539 PolarHBondContact O-N 3.42Å; I537-H540 PolarHBondContact O-N 2.88Å; I537-I541 PolarHBondContact O-N 3.13Å
538	Y	78.8	Confident	80.8	Confident	38 Å²	38	40 Å²	40	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-26	176.7	-61.2	-32.4	0	0	0	113.1	A229 L336 L534 H540 I541	A229-Y538 HydrophobicContact CB-CD2 4.04Å; A229-Y538 HydrophobicContact CB-CE2 3.96Å; A229-Y538 HydrophobicContact CB-CG 4.49Å; L336-Y538 PolarHBondContact O-OH 3.38Å; L336-Y538 VanDerWaalsContact O-OH 3.05Å; L534-Y538 HydrophobicContact CB-CE1 4.34Å; L534-Y538 HydrophobicContact CB-CE2 4.37Å; L534-Y538 WeakPolarHBondContact O-CD1 3.36Å; L534-Y538 VanDerWaalsContact O-CD2 3.31Å; L534-Y538 WeakPolarHBondContact O-CD2 3.19Å; L534-Y538 PolarHBondContact O-N 3.06Å; Y538-H540 PolarHBondContact O-N 3.06Å; Y538-I541 HydrophobicContact CD1-CD1 4.12Å; Y538-I541 VanDerWaalsContact O-CG2 3.32Å; Y538-I541 WeakPolarHBondContact O-CG2 3.49Å
539	E	80.3	Confident	80.5	Confident	153 Å²	153	37.1 Å²	37.1	72%	0.715	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.4	174	-58.2	-167.3	148.5	0	0	113.5	I537	I537-E539 PolarHBondContact O-N 3.42Å
540	H	81.2	Confident	80.5	Confident	43 Å²	43	35.9 Å²	35.9	20%	0.199	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-6.3	-175.9	-59.9	-13.4	0	0	0	113.6	I395 I537 Y538 H542 C543	I395-H540 HydrophobicContact CD1-CB 3.82Å; I395-H540 HydrophobicContact CG1-CB 4.06Å; I537-H540 PolarHBondContact O-N 2.88Å; Y538-H540 PolarHBondContact O-N 3.06Å; H540-H542 PolarHBondContact O-N 2.89Å; H540-H542 PolarHBondContact O-ND1 3.35Å; H540-C543 PolarHBondContact O-N 3.4Å; H540-C543 PolarHBondContact O-SG 2.92Å; H540-C543 VanDerWaalsContact O-SG 3.37Å
541	I	78.3	Confident	80.6	Confident	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-26.2	-170.9	-166.2	169.6	0	0	0	115.7	L333 V337 I537 Y538 C543 L544 Y545	L333-I541 HydrophobicContact CD2-CD1 4.12Å; L333-I541 HydrophobicContact CD2-CG1 4Å; V337-I541 HydrophobicContact CG2-CD1 3.38Å; I537-I541 PolarHBondContact O-N 3.13Å; Y538-I541 HydrophobicContact CD1-CD1 4.12Å; Y538-I541 VanDerWaalsContact O-CG2 3.32Å; Y538-I541 WeakPolarHBondContact O-CG2 3.49Å; I541-C543 PolarHBondContact O-N 3.42Å; I541-L544 HydrophobicContact CG1-CD1 4.26Å; I541-L544 WeakPolarHBondContact O-CB 3.47Å; I541-L544 PolarHBondContact O-N 2.97Å; I541-Y545 HydrophobicContact CD1-CE2 4.38Å; I541-Y545 HydrophobicContact CG1-CD2 4.48Å; I541-Y545 HydrophobicContact CG1-CE2 4.13Å
542	H	72.8	Confident	80.6	Confident	11 Å²	11	34.1 Å²	34.1	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-50	-32.2	178.2	102	-62.2	0	0	0	113.5	I193 E195 D389 R391 H540 L544 Y545 K546	I193-H542 HydrophobicContact CG2-CB 3.73Å; E195-H542 IonicContact OE1-CD2 2.65Å; E195-H542 PolarHBondContact OE1-CD2 2.97Å; E195-H542 IonicContact OE1-CE1 2.69Å; E195-H542 IonicContact OE1-CG 3.09Å; E195-H542 IonicContact OE1-NE2 3.24Å; E195-H542 PolarHBondContact OE1-NE2 3.44Å; E195-H542 IonicContact OE2-CD2 2.75Å; E195-H542 PolarHBondContact OE2-CD2 2.82Å; E195-H542 IonicContact OE2-NE2 2.85Å; D389-H542 IonicContact OD2-CE1 2.63Å; R391-H542 PolarHBondContact NE-CE1 3.25Å; R391-H542 PolarHBondContact NH1-CE1 2.91Å; R391-H542 PolarHBondContact NH1-ND1 2.86Å; R391-H542 PolarHBondContact NH2-CE1 2.88Å; R391-H542 PolarHBondContact NH2-NE2 2.82Å; H540-H542 PolarHBondContact O-N 2.89Å; H540-H542 PolarHBondContact O-ND1 3.35Å; H542-L544 VanDerWaalsContact C-N 3.28Å; H542-L544 PolarHBondContact O-N 2.83Å; H542-Y545 WeakPolarHBondContact O-CB 3.45Å; H542-Y545 PolarHBondContact O-N 2.85Å; H542-K546 PolarHBondContact CD2-NZ 2.82Å; H542-K546 VanDerWaalsContact CD2-NZ 3.27Å; H542-K546 WeakPolarHBondContact NE2-CE 3.21Å; H542-K546 PolarHBondContact NE2-NZ 2.87Å; H542-K546 PolarHBondContact O-N 2.92Å
543	C	81.8	Confident	80.6	Confident	1 Å²	1	28 Å²	28	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-71.7	-30.9	-175.5	62.5	0	0	0	0	110.4	R391 F392 I395 H540 I541 Y545 K546 L547	R391-C543 HydrophobicContact CB-CB 4.48Å; F392-C543 HydrophobicContact CD1-CB 4.18Å; F392-C543 HydrophobicContact CE1-CB 3.63Å; F392-C543 WeakPolarHBondContact CE1-O 3.38Å; F392-C543 HydrophobicContact CE2-CB 4.34Å; F392-C543 HydrophobicContact CZ-CB 3.71Å; F392-C543 VanDerWaalsContact CZ-O 3.32Å; F392-C543 WeakPolarHBondContact CZ-O 3.26Å; I395-C543 VanDerWaalsContact CD1-SG 3.53Å; H540-C543 PolarHBondContact O-N 3.4Å; H540-C543 PolarHBondContact O-SG 2.92Å; H540-C543 VanDerWaalsContact O-SG 3.37Å; I541-C543 PolarHBondContact O-N 3.42Å; C543-Y545 VanDerWaalsContact C-N 3.32Å; C543-K546 PolarHBondContact O-N 2.92Å; C543-L547 WeakPolarHBondContact O-CB 3.22Å; C543-L547 PolarHBondContact O-N 2.87Å
544	L	78.5	Confident	80.9	Confident	8 Å²	8	27.7 Å²	27.7	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-69.5	-31.6	176.8	-51.5	179.5	0	0	0	111.2	L333 L358 L362 F392 I541 H542 S548	L333-L544 HydrophobicContact CD1-CB 4.12Å; L333-L544 HydrophobicContact CD2-CB 3.68Å; L333-L544 HydrophobicContact CD2-CD1 3.89Å; L333-L544 HydrophobicContact CD2-CG 4.45Å; L333-L544 HydrophobicContact CG-CB 4.42Å; L358-L544 HydrophobicContact CD1-CD1 3.59Å; L358-L544 HydrophobicContact CD1-CD2 3.97Å; L358-L544 HydrophobicContact CD1-CG 4.43Å; L358-L544 HydrophobicContact CD2-CD1 4.33Å; L362-L544 HydrophobicContact CD2-CD2 3.93Å; F392-L544 HydrophobicContact CD1-CD2 4.33Å; F392-L544 HydrophobicContact CE1-CD2 4.23Å; I541-L544 HydrophobicContact CG1-CD1 4.26Å; I541-L544 WeakPolarHBondContact O-CB 3.47Å; I541-L544 PolarHBondContact O-N 2.97Å; H542-L544 VanDerWaalsContact C-N 3.28Å; H542-L544 PolarHBondContact O-N 2.83Å; L544-S548 VanDerWaalsContact O-CB 3.26Å; L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 2.91Å
545	Y	71.9	Confident	81.3	Confident	11 Å²	11	27.8 Å²	27.8	4%	0.043	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-49.1	169.9	-74.6	-88.7	0	0	0	111.4	P115 I193 S232 K234 L333 I541 H542 C543 L547 S548 D549	P115-Y545 WeakPolarHBondContact CB-OH 3.47Å; P115-Y545 HydrophobicContact CG-CE1 3.77Å; P115-Y545 VanDerWaalsContact CG-OH 3.26Å; P115-Y545 WeakPolarHBondContact CG-OH 3.47Å; P115-Y545 PolarHBondContact O-OH 3.47Å; I193-Y545 HydrophobicContact CD1-CD2 3.71Å; I193-Y545 HydrophobicContact CD1-CE2 3.38Å; I193-Y545 HydrophobicContact CD1-CG 4.45Å; S232-Y545 WeakPolarHBondContact O-CE2 3.45Å; S232-Y545 PolarHBondContact O-OH 3.46Å; K234-Y545 HydrophobicContact CB-CD1 3.74Å; K234-Y545 HydrophobicContact CB-CE1 3.48Å; K234-Y545 VanDerWaalsContact CB-CE1 3.48Å; K234-Y545 HydrophobicContact CB-CG 4.5Å; K234-Y545 HydrophobicContact CD-CD1 3.8Å; K234-Y545 HydrophobicContact CD-CE1 4.32Å; K234-Y545 HydrophobicContact CG-CD1 4.38Å; L333-Y545 HydrophobicContact CD1-CD1 4.39Å; L333-Y545 HydrophobicContact CD1-CG 4.38Å; I541-Y545 HydrophobicContact CD1-CE2 4.38Å; I541-Y545 HydrophobicContact CG1-CD2 4.48Å; I541-Y545 HydrophobicContact CG1-CE2 4.13Å; H542-Y545 WeakPolarHBondContact O-CB 3.45Å; H542-Y545 PolarHBondContact O-N 2.85Å; C543-Y545 VanDerWaalsContact C-N 3.32Å; Y545-L547 VanDerWaalsContact C-N 3.29Å; Y545-L547 PolarHBondContact O-N 3.11Å; Y545-S548 WeakPolarHBondContact O-CA 3.17Å; Y545-S548 WeakPolarHBondContact O-CB 3.31Å; Y545-S548 PolarHBondContact O-N 3.37Å; Y545-D549 PolarHBondContact O-N 3.49Å
546	K	74.9	Confident	81.7	Confident	68 Å²	68	24.4 Å²	24.4	30%	0.296	11%	0.114	S	C	.	.	H	α-helix	trans	-58.3	-41	175.6	-70.3	178.1	-179.4	160.3	0	112.1	E195 H542 C543 T550	E195-K546 IonicContact OE1-NZ 3.94Å; E195-K546 VanDerWaalsContact OE2-CE 3.22Å; E195-K546 WeakPolarHBondContact OE2-CE 3.47Å; E195-K546 IonicContact OE2-NZ 2.71Å; E195-K546 PolarHBondContact OE2-NZ 3.24Å; H542-K546 PolarHBondContact CD2-NZ 2.82Å; H542-K546 VanDerWaalsContact CD2-NZ 3.27Å; H542-K546 WeakPolarHBondContact NE2-CE 3.21Å; H542-K546 PolarHBondContact NE2-NZ 2.87Å; H542-K546 PolarHBondContact O-N 2.92Å; C543-K546 PolarHBondContact O-N 2.92Å; K546-T550 WeakPolarHBondContact O-CB 3.45Å; K546-T550 PolarHBondContact O-N 3.38Å; K546-T550 PolarHBondContact O-OG1 3.31Å
547	L	83.6	Confident	82.2	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-43.2	172.6	176.4	63.4	0	0	0	111.7	F326 T361 V365 L387 F392 C543 Y545 T550 V551	F326-L547 HydrophobicContact CE1-CD1 4.38Å; T361-L547 HydrophobicContact CG2-CD2 3.99Å; V365-L547 HydrophobicContact CG2-CD1 4.02Å; V365-L547 HydrophobicContact CG2-CD2 3.66Å; L387-L547 HydrophobicContact CD2-CD1 3.52Å; F392-L547 HydrophobicContact CE1-CB 3.94Å; F392-L547 HydrophobicContact CE1-CD2 4Å; F392-L547 HydrophobicContact CZ-CB 3.96Å; C543-L547 WeakPolarHBondContact O-CB 3.22Å; C543-L547 PolarHBondContact O-N 2.87Å; Y545-L547 VanDerWaalsContact C-N 3.29Å; Y545-L547 PolarHBondContact O-N 3.11Å; L547-T550 PolarHBondContact O-N 2.91Å; L547-V551 HydrophobicContact CD1-CG2 3.95Å; L547-V551 HydrophobicContact CG-CG2 4.46Å; L547-V551 WeakPolarHBondContact O-CB 3.36Å; L547-V551 VanDerWaalsContact O-CG2 3.31Å; L547-V551 WeakPolarHBondContact O-CG2 3.38Å; L547-V551 PolarHBondContact O-N 2.94Å
548	S	77	Confident	82.7	Confident	5 Å²	5	20.2 Å²	20.2	4%	0.035	10%	0.095	C	C	.	.	H	α-helix	trans	-67.5	-44.1	179.9	-166.9	0	0	0	0	112.7	T329 E330 L544 Y545 T550 S552	T329-S548 WeakPolarHBondContact OG1-CB 3.26Å; T329-S548 PolarHBondContact OG1-OG 2.88Å; E330-S548 WeakPolarHBondContact CG-OG 3.49Å; L544-S548 VanDerWaalsContact O-CB 3.26Å; L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 2.91Å; Y545-S548 WeakPolarHBondContact O-CA 3.17Å; Y545-S548 WeakPolarHBondContact O-CB 3.31Å; Y545-S548 PolarHBondContact O-N 3.37Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 2.83Å; S548-S552 VanDerWaalsContact O-CB 3.26Å; S548-S552 WeakPolarHBondContact O-CB 3.38Å; S548-S552 PolarHBondContact O-N 3.4Å; S548-S552 PolarHBondContact O-OG 3.4Å
549	D	76.1	Confident	83.4	Confident	43 Å²	43	18.5 Å²	18.5	23%	0.23	9%	0.088	C	C	.	.	H	α-helix	trans	-59.1	-44.3	170.8	-75.8	-61.1	0	0	0	111.2	K234 Y545 M553	K234-D549 IonicContact NZ-OD1 3.11Å; K234-D549 PolarHBondContact NZ-OD1 3.23Å; K234-D549 IonicContact NZ-OD2 2.8Å; K234-D549 PolarHBondContact NZ-OD2 3.46Å; Y545-D549 PolarHBondContact O-N 3.49Å; D549-M553 PolarHBondContact O-N 3.49Å
550	T	85.3	Confident	84.2	Confident	4 Å²	4	11.2 Å²	11.2	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-63.8	-53.5	-179.9	-62.7	0	0	0	0	111.6	Y383 K546 L547 S548 S552 M553 L554	Y383-T550 HydrophobicContact CD1-CG2 3.59Å; Y383-T550 WeakPolarHBondContact CD1-OG1 3.42Å; Y383-T550 HydrophobicContact CD2-CG2 4.42Å; Y383-T550 HydrophobicContact CE1-CG2 4.32Å; Y383-T550 HydrophobicContact CG-CG2 3.68Å; K546-T550 WeakPolarHBondContact O-CB 3.45Å; K546-T550 PolarHBondContact O-N 3.38Å; K546-T550 PolarHBondContact O-OG1 3.31Å; L547-T550 PolarHBondContact O-N 2.91Å; S548-T550 VanDerWaalsContact C-N 3.34Å; S548-T550 PolarHBondContact O-N 2.83Å; T550-S552 VanDerWaalsContact C-N 3.31Å; T550-S552 PolarHBondContact O-N 3.34Å; T550-M553 PolarHBondContact O-N 2.86Å; T550-L554 HydrophobicContact CG2-CD1 3.76Å; T550-L554 HydrophobicContact CG2-CG 4.36Å; T550-L554 WeakPolarHBondContact O-CB 3.46Å; T550-L554 VanDerWaalsContact O-CG 3.31Å; T550-L554 WeakPolarHBondContact O-CG 3.24Å; T550-L554 PolarHBondContact O-N 2.86Å
551	V	86.8	Confident	84.8	Confident	1 Å²	1	9.1 Å²	9.1	1%	0.006	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-41.1	179.2	170.7	0	0	0	0	110.9	T278 F326 L368 L547 M553 L554 D555	T278-V551 HydrophobicContact CG2-CG1 4.27Å; F326-V551 HydrophobicContact CB-CG1 4.39Å; F326-V551 HydrophobicContact CD1-CG1 4.22Å; F326-V551 HydrophobicContact CD1-CG2 4.1Å; F326-V551 HydrophobicContact CE1-CG2 3.79Å; F326-V551 HydrophobicContact CE2-CG2 4.46Å; F326-V551 HydrophobicContact CG-CG1 4.17Å; F326-V551 HydrophobicContact CZ-CG2 4Å; L368-V551 HydrophobicContact CD2-CG2 3.97Å; L547-V551 HydrophobicContact CD1-CG2 3.95Å; L547-V551 HydrophobicContact CG-CG2 4.46Å; L547-V551 WeakPolarHBondContact O-CB 3.36Å; L547-V551 VanDerWaalsContact O-CG2 3.31Å; L547-V551 WeakPolarHBondContact O-CG2 3.38Å; L547-V551 PolarHBondContact O-N 2.94Å; V551-M553 PolarHBondContact O-N 3.47Å; V551-L554 PolarHBondContact O-N 3.09Å; V551-D555 VanDerWaalsContact O-CB 3.27Å; V551-D555 WeakPolarHBondContact O-CB 3.38Å; V551-D555 PolarHBondContact O-N 2.89Å
552	S	80.7	Confident	85.6	Confident	2 Å²	2	10.7 Å²	10.7	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-68.1	-31.7	178.9	-57.6	0	0	0	0	113	G281 S548 T550 M556	G281-S552 WeakPolarHBondContact CA-O 3.5Å; S548-S552 VanDerWaalsContact O-CB 3.26Å; S548-S552 WeakPolarHBondContact O-CB 3.38Å; S548-S552 PolarHBondContact O-N 3.4Å; S548-S552 PolarHBondContact O-OG 3.4Å; T550-S552 VanDerWaalsContact C-N 3.31Å; T550-S552 PolarHBondContact O-N 3.34Å; S552-M556 PolarHBondContact O-N 3.2Å
553	M	85.3	Confident	86.5	Confident	19 Å²	19	10.3 Å²	10.3	9%	0.094	5%	0.051	C	C	.	.	H	α-helix	trans	-74.6	-45.2	171.8	-164.7	80.9	83	0	0	111.8	Y383 D549 T550 V551 D555 M556 L557	Y383-M553 HydrophobicContact CE2-CB 4.42Å; Y383-M553 HydrophobicContact CE2-CG 4.39Å; Y383-M553 WeakPolarHBondContact OH-CG 3.11Å; D549-M553 PolarHBondContact O-N 3.49Å; T550-M553 PolarHBondContact O-N 2.86Å; V551-M553 PolarHBondContact O-N 3.47Å; M553-D555 VanDerWaalsContact C-N 3.32Å; M553-D555 PolarHBondContact O-N 3.2Å; M553-M556 WeakPolarHBondContact O-CB 3.25Å; M553-M556 PolarHBondContact O-N 3.15Å; M553-M556 VanDerWaalsContact O-N 3.13Å; M553-M556 HydrophobicContact SD-CE 3.58Å; M553-M556 VanDerWaalsContact SD-CE 3.58Å; M553-L557 HydrophobicContact CG-CD1 4.04Å; M553-L557 HydrophobicContact CG-CG 4.36Å; M553-L557 WeakPolarHBondContact O-CG 3.4Å; M553-L557 PolarHBondContact O-N 3.01Å
554	L	91.8	Very high	87	Confident	2 Å²	2	11.2 Å²	11.2	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-59.9	-42.2	179.5	-70.8	171.3	0	0	0	111.7	I323 L368 L372 L380 Y383 T550 V551 M556 L557 L558	I323-L554 HydrophobicContact CD1-CB 3.6Å; L368-L554 HydrophobicContact CD1-CD1 4.29Å; L368-L554 HydrophobicContact CD2-CD1 4.49Å; L372-L554 HydrophobicContact CD1-CD1 4.02Å; L372-L554 HydrophobicContact CD2-CD2 4.45Å; L380-L554 HydrophobicContact CD2-CD2 3.45Å; L380-L554 VanDerWaalsContact CD2-CD2 3.45Å; Y383-L554 HydrophobicContact CD2-CD2 3.94Å; Y383-L554 HydrophobicContact CD2-CG 4.28Å; Y383-L554 HydrophobicContact CE2-CD2 4.41Å; T550-L554 HydrophobicContact CG2-CD1 3.76Å; T550-L554 HydrophobicContact CG2-CG 4.36Å; T550-L554 WeakPolarHBondContact O-CB 3.46Å; T550-L554 VanDerWaalsContact O-CG 3.31Å; T550-L554 WeakPolarHBondContact O-CG 3.24Å; T550-L554 PolarHBondContact O-N 2.86Å; V551-L554 PolarHBondContact O-N 3.09Å; L554-M556 VanDerWaalsContact C-N 3.34Å; L554-M556 PolarHBondContact O-N 3.29Å; L554-L557 PolarHBondContact O-N 3.29Å; L554-L558 WeakPolarHBondContact O-CB 3.34Å; L554-L558 WeakPolarHBondContact O-CG 3.42Å; L554-L558 PolarHBondContact O-N 3.4Å
555	D	91.2	Very high	87.6	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.011	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-36.6	175.7	-168.9	28.9	0	0	0	112.2	T276 K277 T278 I323 V551 M553 S559	T276-D555 WeakPolarHBondContact CA-OD1 3.31Å; T276-D555 WeakPolarHBondContact CB-OD2 3.41Å; K277-D555 PolarHBondContact N-OD1 3.34Å; K277-D555 PolarHBondContact N-OD2 3.12Å; T278-D555 WeakPolarHBondContact CA-OD2 3.34Å; T278-D555 VanDerWaalsContact CB-OD2 3.28Å; T278-D555 WeakPolarHBondContact CB-OD2 3.45Å; T278-D555 PolarHBondContact N-OD2 3.04Å; T278-D555 PolarHBondContact OG1-OD2 3.27Å; I323-D555 HydrophobicContact CG2-CB 3.85Å; V551-D555 VanDerWaalsContact O-CB 3.27Å; V551-D555 WeakPolarHBondContact O-CB 3.38Å; V551-D555 PolarHBondContact O-N 2.89Å; M553-D555 VanDerWaalsContact C-N 3.32Å; M553-D555 PolarHBondContact O-N 3.2Å; D555-S559 VanDerWaalsContact O-CB 3.31Å; D555-S559 WeakPolarHBondContact O-CB 3.28Å; D555-S559 PolarHBondContact O-N 3.06Å
556	M	90.7	Very high	88.4	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-41.2	172.8	-172.7	-171.3	78.6	0	0	112.3	R284 L285 N288 S552 M553 L554 S559 F560	R284-M556 HydrophobicContact CB-SD 4.42Å; R284-M556 HydrophobicContact CG-SD 3.86Å; L285-M556 HydrophobicContact CB-CG 4.11Å; L285-M556 HydrophobicContact CD1-CG 4.22Å; N288-M556 HydrophobicContact CB-SD 4.32Å; S552-M556 PolarHBondContact O-N 3.2Å; M553-M556 WeakPolarHBondContact O-CB 3.25Å; M553-M556 PolarHBondContact O-N 3.15Å; M553-M556 VanDerWaalsContact O-N 3.13Å; M553-M556 HydrophobicContact SD-CE 3.58Å; M553-M556 VanDerWaalsContact SD-CE 3.58Å; L554-M556 VanDerWaalsContact C-N 3.34Å; L554-M556 PolarHBondContact O-N 3.29Å; M556-S559 VanDerWaalsContact O-CB 3.25Å; M556-S559 WeakPolarHBondContact O-CB 3.39Å; M556-S559 PolarHBondContact O-N 3.3Å; M556-F560 HydrophobicContact CE-CE2 4Å; M556-F560 HydrophobicContact CE-CZ 4.31Å; M556-F560 HydrophobicContact CG-CE1 4.49Å; M556-F560 HydrophobicContact CG-CE2 4.34Å; M556-F560 HydrophobicContact CG-CZ 4.09Å; M556-F560 PolarHBondContact O-N 3.42Å; M556-F560 VanDerWaalsContact O-N 3.07Å; M556-F560 HydrophobicContact SD-CZ 4.32Å
557	L	94.3	Very high	88.9	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69.4	-40.8	178.3	-67.5	170.1	0	0	0	111.8	R302 C305 V306 L309 L379 M553 L554 S559 F560 A561	R302-L557 HydrophobicContact CB-CD2 4.01Å; R302-L557 HydrophobicContact CG-CD2 4.18Å; C305-L557 HydrophobicContact CB-CD1 4.11Å; V306-L557 HydrophobicContact CG2-CD2 4.05Å; L309-L557 HydrophobicContact CD1-CB 4.09Å; L379-L557 HydrophobicContact CD2-CD1 4.4Å; M553-L557 HydrophobicContact CG-CD1 4.04Å; M553-L557 HydrophobicContact CG-CG 4.36Å; M553-L557 WeakPolarHBondContact O-CG 3.4Å; M553-L557 PolarHBondContact O-N 3.01Å; L554-L557 PolarHBondContact O-N 3.29Å; L557-S559 PolarHBondContact O-N 2.66Å; L557-F560 HydrophobicContact CD2-CD2 4.39Å; L557-F560 PolarHBondContact O-N 2.86Å; L557-A561 PolarHBondContact O-N 3.13Å
558	L	94.9	Very high	89.1	Confident	7 Å²	7	21.8 Å²	21.8	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-37.2	168.3	-75.5	178	0	0	0	111.8	L309 F316 L319 Q320 I323 L554 F560 A561 H562	L309-L558 HydrophobicContact CD1-CD2 4.24Å; L309-L558 HydrophobicContact CD2-CD2 3.96Å; F316-L558 HydrophobicContact CD2-CD2 3.75Å; F316-L558 HydrophobicContact CE2-CD2 4.11Å; L319-L558 HydrophobicContact CB-CD1 3.95Å; L319-L558 HydrophobicContact CB-CD2 4.12Å; L319-L558 HydrophobicContact CB-CG 4.48Å; L319-L558 HydrophobicContact CD1-CD2 4.49Å; Q320-L558 HydrophobicContact CB-CD1 4.48Å; I323-L558 HydrophobicContact CD1-CD1 3.88Å; L554-L558 WeakPolarHBondContact O-CB 3.34Å; L554-L558 WeakPolarHBondContact O-CG 3.42Å; L554-L558 PolarHBondContact O-N 3.4Å; L558-F560 VanDerWaalsContact C-N 3.34Å; L558-A561 PolarHBondContact O-N 2.88Å; L558-H562 WeakPolarHBondContact O-CB 3.17Å; L558-H562 PolarHBondContact O-N 2.91Å
559	S	95.2	Very high	89.9	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.007	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-37.5	176.7	-162.9	0	0	0	0	112.3	L273 Y275 T276 D555 M556 L557 A563	L273-S559 PolarHBondContact O-OG 3.15Å; Y275-S559 PolarHBondContact N-OG 2.72Å; T276-S559 PolarHBondContact N-OG 3.06Å; D555-S559 VanDerWaalsContact O-CB 3.31Å; D555-S559 WeakPolarHBondContact O-CB 3.28Å; D555-S559 PolarHBondContact O-N 3.06Å; M556-S559 VanDerWaalsContact O-CB 3.25Å; M556-S559 WeakPolarHBondContact O-CB 3.39Å; M556-S559 PolarHBondContact O-N 3.3Å; L557-S559 PolarHBondContact O-N 2.66Å; S559-A563 PolarHBondContact O-N 2.96Å; S559-A563 VanDerWaalsContact O-N 3.11Å
560	F	95.8	Very high	90.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.7	-48.3	172.2	-64.2	-23.1	0	0	0	111.9	L273 L285 V306 M556 L557 L558 H562 A563 C564 I636 G637 S638	L273-F560 HydrophobicContact CD1-CE1 4.29Å; L285-F560 HydrophobicContact CD1-CE1 3.52Å; L285-F560 HydrophobicContact CD1-CZ 3.98Å; V306-F560 HydrophobicContact CG1-CB 4.49Å; V306-F560 HydrophobicContact CG2-CB 3.9Å; V306-F560 HydrophobicContact CG2-CD2 4.2Å; M556-F560 HydrophobicContact CE-CE2 4Å; M556-F560 HydrophobicContact CE-CZ 4.31Å; M556-F560 HydrophobicContact CG-CE1 4.49Å; M556-F560 HydrophobicContact CG-CE2 4.34Å; M556-F560 HydrophobicContact CG-CZ 4.09Å; M556-F560 PolarHBondContact O-N 3.42Å; M556-F560 VanDerWaalsContact O-N 3.07Å; M556-F560 HydrophobicContact SD-CZ 4.32Å; L557-F560 HydrophobicContact CD2-CD2 4.39Å; L557-F560 PolarHBondContact O-N 2.86Å; L558-F560 VanDerWaalsContact C-N 3.34Å; F560-H562 VanDerWaalsContact C-N 3.3Å; F560-H562 PolarHBondContact O-N 3.05Å; F560-A563 WeakPolarHBondContact O-CB 3.49Å; F560-A563 PolarHBondContact O-N 2.9Å; F560-A563 VanDerWaalsContact O-N 3.07Å; F560-C564 PolarHBondContact O-N 3.35Å; F560-C564 VanDerWaalsContact O-N 3.1Å; F560-C564 PolarHBondContact O-SG 3.17Å; F560-I636 HydrophobicContact CE1-CD1 3.87Å; F560-I636 HydrophobicContact CE1-CG1 4.41Å; F560-I636 HydrophobicContact CE2-CG1 4.39Å; F560-I636 HydrophobicContact CZ-CB 4.28Å; F560-I636 HydrophobicContact CZ-CD1 3.67Å; F560-I636 HydrophobicContact CZ-CG1 3.79Å; F560-G637 WeakPolarHBondContact CD2-O 3.4Å; F560-S638 WeakPolarHBondContact CD1-OG 3.46Å
561	A	94.8	Very high	91.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.3	-44.1	175.9	0	0	0	0	0	111.4	L309 L310 F316 L557 L558 A563 C564 T565	L309-A561 HydrophobicContact CB-CB 3.87Å; L310-A561 HydrophobicContact CD2-CB 4.23Å; L310-A561 HydrophobicContact CG-CB 4.23Å; F316-A561 HydrophobicContact CD2-CB 4.12Å; F316-A561 HydrophobicContact CE2-CB 3.93Å; L557-A561 PolarHBondContact O-N 3.13Å; L558-A561 PolarHBondContact O-N 2.88Å; A561-A563 VanDerWaalsContact C-N 3.3Å; A561-A563 PolarHBondContact O-N 3.28Å; A561-C564 CarbonylContact O-C 3.58Å; A561-C564 WeakPolarHBondContact O-CA 3.49Å; A561-C564 WeakPolarHBondContact O-CB 3.43Å; A561-C564 PolarHBondContact O-N 2.94Å; A561-T565 PolarHBondContact O-N 2.93Å
562	H	94.2	Very high	91.7	Very high	38 Å²	38	26.1 Å²	26.1	18%	0.176	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-29.2	176.1	-168.6	-44.4	0	0	0	113.5	Y275 F316 L558 F560 T565 L566	Y275-H562 AromaticContact CD1-CE1 3.51Å; Y275-H562 AromaticContact CD1-ND1 3.58Å; Y275-H562 AromaticContact CE1-CE1 3.92Å; Y275-H562 AromaticContact CE1-ND1 3.99Å; Y275-H562 HydrophobicContact CG-CB 4.38Å; Y275-H562 AromaticContact CG-CG 3.95Å; Y275-H562 AromaticContact CG-ND1 3.67Å; F316-H562 HydrophobicContact CE2-CB 4.21Å; F316-H562 HydrophobicContact CZ-CB 3.94Å; L558-H562 WeakPolarHBondContact O-CB 3.17Å; L558-H562 PolarHBondContact O-N 2.91Å; F560-H562 VanDerWaalsContact C-N 3.3Å; F560-H562 PolarHBondContact O-N 3.05Å; H562-T565 WeakPolarHBondContact CA-OG1 3.17Å; H562-T565 PolarHBondContact O-OG1 2.76Å; H562-T565 VanDerWaalsContact O-OG1 3.1Å; H562-L566 WeakPolarHBondContact O-CG 3.34Å
563	A	92.8	Very high	92.4	Very high	3 Å²	3	30 Å²	30	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-69.3	-40.2	171.1	0	0	0	0	0	111	L273 Y275 S559 F560 A561 T565 L566 S567 Y569	L273-A563 HydrophobicContact CD2-CB 4.47Å; Y275-A563 HydrophobicContact CD2-CB 4.32Å; Y275-A563 HydrophobicContact CE2-CB 4.12Å; S559-A563 PolarHBondContact O-N 2.96Å; S559-A563 VanDerWaalsContact O-N 3.11Å; F560-A563 WeakPolarHBondContact O-CB 3.49Å; F560-A563 PolarHBondContact O-N 2.9Å; F560-A563 VanDerWaalsContact O-N 3.07Å; A561-A563 VanDerWaalsContact C-N 3.3Å; A561-A563 PolarHBondContact O-N 3.28Å; A563-T565 VanDerWaalsContact C-N 3.33Å; A563-T565 PolarHBondContact O-N 2.78Å; A563-L566 PolarHBondContact O-N 3.28Å; A563-L566 VanDerWaalsContact O-N 3.17Å; A563-S567 PolarHBondContact O-N 3.06Å; A563-S567 VanDerWaalsContact O-N 3.13Å; A563-Y569 HydrophobicContact CB-CE2 4.35Å
564	C	92.3	Very high	92.8	Very high	19 Å²	19	31 Å²	31	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-73.2	-19.6	179.5	-52	0	0	0	0	113.8	L310 F560 A561 L566 S567	L310-C564 HydrophobicContact CD1-CB 3.77Å; L310-C564 HydrophobicContact CD2-CB 3.98Å; F560-C564 PolarHBondContact O-N 3.35Å; F560-C564 VanDerWaalsContact O-N 3.1Å; F560-C564 PolarHBondContact O-SG 3.17Å; A561-C564 CarbonylContact O-C 3.58Å; A561-C564 WeakPolarHBondContact O-CA 3.49Å; A561-C564 WeakPolarHBondContact O-CB 3.43Å; A561-C564 PolarHBondContact O-N 2.94Å; C564-L566 VanDerWaalsContact C-N 3.31Å; C564-S567 CarbonylContact C-O 3.53Å; C564-S567 VanDerWaalsContact O-O 3.06Å
565	T	90.8	Very high	92.7	Very high	82 Å²	82	32.7 Å²	32.7	50%	0.503	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.2	170.2	58.1	0	0	0	0	113.6	L310 A561 H562 A563	L310-T565 HydrophobicContact CD2-CG2 3.69Å; A561-T565 PolarHBondContact O-N 2.93Å; H562-T565 WeakPolarHBondContact CA-OG1 3.17Å; H562-T565 PolarHBondContact O-OG1 2.76Å; H562-T565 VanDerWaalsContact O-OG1 3.1Å; A563-T565 VanDerWaalsContact C-N 3.33Å; A563-T565 PolarHBondContact O-N 2.78Å
566	L	88.8	Confident	92.6	Very high	102 Å²	102	35.8 Å²	35.8	53%	0.534	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-28.8	178.4	-67.6	174.8	0	0	0	113.5	Y275 H562 A563 C564	Y275-L566 HydrophobicContact CD1-CD1 4.44Å; Y275-L566 HydrophobicContact CE1-CD1 3.55Å; Y275-L566 HydrophobicContact CE2-CD1 4.22Å; Y275-L566 VanDerWaalsContact CZ-CD1 3.42Å; Y275-L566 VanDerWaalsContact OH-CD1 3.25Å; Y275-L566 WeakPolarHBondContact OH-CD1 3.24Å; H562-L566 WeakPolarHBondContact O-CG 3.34Å; A563-L566 PolarHBondContact O-N 3.28Å; A563-L566 VanDerWaalsContact O-N 3.17Å; C564-L566 VanDerWaalsContact C-N 3.31Å
567	S	85.5	Confident	92.5	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	19%	0.192	C	C	.	.	S	Bend	trans	-135.3	144.8	-178.1	-73.9	0	0	0	0	110.4	A563 C564 Y569 E589	A563-S567 PolarHBondContact O-N 3.06Å; A563-S567 VanDerWaalsContact O-N 3.13Å; C564-S567 CarbonylContact C-O 3.53Å; C564-S567 VanDerWaalsContact O-O 3.06Å; S567-Y569 PolarHBondContact O-N 3.13Å; S567-E589 WeakPolarHBondContact CB-OE1 3.33Å; S567-E589 VanDerWaalsContact OG-CD 3.28Å; S567-E589 PolarHBondContact OG-OE1 2.92Å
568	D	86.8	Confident	92.5	Very high	106 Å²	106	36.4 Å²	36.4	57%	0.567	19%	0.192	S	C	*	.			trans	-71.6	63.1	-173.4	-50.6	-79	0	0	0	113.2	W584 K595	D568-W584 HydrophobicContact CB-CH2 4.39Å; D568-W584 WeakPolarHBondContact O-CH2 3.44Å; D568-K595 IonicContact OD2-NZ 2.73Å; D568-K595 PolarHBondContact OD2-NZ 2.9Å
569	Y	94.2	Very high	92.5	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.071	20%	0.195	C	C	.	.			trans	-86	143.6	-177.4	-65.7	-2.6	0	0	0	111.7	A563 S567 W584 M633 V640 P641	A563-Y569 HydrophobicContact CB-CE2 4.35Å; S567-Y569 PolarHBondContact O-N 3.13Å; Y569-W584 HydrophobicContact CD1-CZ2 4.4Å; Y569-M633 HydrophobicContact CD2-CE 4.14Å; Y569-M633 HydrophobicContact CE2-CE 3.78Å; Y569-V640 CarbonylContact C-O 3.58Å; Y569-V640 WeakPolarHBondContact CA-O 3.41Å; Y569-P641 HydrophobicContact CD1-CB 3.95Å; Y569-P641 HydrophobicContact CE1-CB 3.72Å; Y569-P641 HydrophobicContact CE1-CG 4.5Å
570	V	94.8	Very high	92.5	Very high	50 Å²	50	36.8 Å²	36.8	30%	0.303	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-113.5	144.7	-176.6	170.5	0	0	0	0	111.2	P572 Y639 V640 A642	V570-P572 WeakPolarHBondContact O-CD 3.32Å; V570-Y639 WeakPolarHBondContact O-CA 3.19Å; V570-Y639 WeakPolarHBondContact O-CB 3.36Å; V570-V640 PolarHBondContact N-O 2.97Å; V570-V640 PolarHBondContact O-N 2.9Å; V570-A642 WeakPolarHBondContact CB-O 3.19Å; V570-A642 WeakPolarHBondContact CG2-O 3.33Å
571	R	95.9	Very high	92.4	Very high	72 Å²	72	41.1 Å²	41.1	27%	0.272	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-62.1	122.3	175.7	-177.2	175.6	171.4	146.2	6	110.1	D304 Y639	D304-R571 IonicContact OD1-CZ 3.37Å; D304-R571 IonicContact OD1-NH1 2.68Å; D304-R571 PolarHBondContact OD1-NH1 3.36Å; D304-R571 IonicContact OD1-NH2 3.56Å; D304-R571 PolarHBondContact OD1-NH2 2.96Å; R571-Y639 HydrophobicContact CB-CD1 4.15Å; R571-Y639 HydrophobicContact CB-CD2 4.4Å; R571-Y639 HydrophobicContact CB-CE1 3.75Å; R571-Y639 HydrophobicContact CB-CE2 4.02Å; R571-Y639 HydrophobicContact CB-CG 4.46Å; R571-Y639 HydrophobicContact CG-CD1 4.45Å; R571-Y639 HydrophobicContact CG-CE1 3.9Å
572	P	96	Very high	92.3	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-77.1	146.8	176.8	30.8	-35.5	0	0	0	112.3	L303 V570 A634 V640 A645 F647	L303-P572 HydrophobicContact CD1-CG 3.99Å; L303-P572 HydrophobicContact CD2-CG 4.14Å; V570-P572 WeakPolarHBondContact O-CD 3.32Å; P572-A634 HydrophobicContact CB-CB 3.9Å; P572-A634 HydrophobicContact CG-CB 3.84Å; P572-V640 HydrophobicContact CB-CG1 4.49Å; P572-V640 HydrophobicContact CB-CG2 4.32Å; P572-V640 HydrophobicContact CG-CG1 4.46Å; P572-A645 WeakPolarHBondContact CA-O 3.42Å; P572-F647 HydrophobicContact CB-CD2 3.85Å; P572-F647 HydrophobicContact CB-CE2 3.83Å
573	E	94.6	Very high	92.3	Very high	84 Å²	84	42.9 Å²	42.9	39%	0.393	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	155.5	168.3	-65.9	179.4	-159.5	0	0	111.2	A645 S646 F647	E573-A645 PolarHBondContact N-O 2.92Å; E573-S646 CarbonylContact O-C 3.41Å; E573-S646 VanDerWaalsContact O-CA 3.27Å; E573-S646 WeakPolarHBondContact O-CA 3.44Å; E573-F647 PolarHBondContact O-N 3.25Å
574	F	93.2	Very high	92.3	Very high	41 Å²	41	44.1 Å²	44.1	18%	0.18	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.8	174.8	-71.1	-83.2	0	0	0	110.8	V296 I299 L303 A634 Q635 F647 I649	V296-F574 HydrophobicContact CG1-CB 4.11Å; V296-F574 HydrophobicContact CG1-CD2 4.38Å; V296-F574 HydrophobicContact CG1-CG 4.34Å; I299-F574 HydrophobicContact CB-CE2 4.37Å; I299-F574 HydrophobicContact CD1-CE1 4.44Å; I299-F574 HydrophobicContact CD1-CZ 4.17Å; I299-F574 HydrophobicContact CG2-CD2 4.48Å; I299-F574 HydrophobicContact CG2-CE2 3.47Å; I299-F574 VanDerWaalsContact CG2-CE2 3.47Å; I299-F574 HydrophobicContact CG2-CZ 3.69Å; L303-F574 HydrophobicContact CD1-CE2 4.12Å; F574-A634 HydrophobicContact CE1-CB 4.37Å; F574-A634 HydrophobicContact CZ-CB 3.91Å; F574-Q635 HydrophobicContact CE1-CG 4.21Å; F574-F647 WeakPolarHBondContact CA-O 3.32Å; F574-F647 HydrophobicContact CD1-CB 4.48Å; F574-F647 HydrophobicContact CE1-CB 4.36Å; F574-I649 HydrophobicContact CD1-CG1 4.35Å
575	T	90.8	Very high	92.3	Very high	36 Å²	36	43.9 Å²	43.9	22%	0.221	22%	0.224	C	C	.	.	S	Bend	trans	-145.2	179.2	-179	73.8	0	0	0	0	111	T577 S646 F647 R648	T575-T577 PolarHBondContact O-N 3.41Å; T575-T577 PolarHBondContact OG1-N 3.08Å; T575-T577 VanDerWaalsContact OG1-N 3.08Å; T575-T577 PolarHBondContact OG1-O 2.91Å; T575-T577 PolarHBondContact OG1-OG1 3.36Å; T575-S646 WeakPolarHBondContact CG2-OG 3.45Å; T575-S646 PolarHBondContact OG1-OG 2.87Å; T575-F647 PolarHBondContact N-O 3.49Å; T575-R648 WeakPolarHBondContact O-CA 3.4Å
576	D	87.8	Confident	92.4	Very high	68 Å²	68	40 Å²	40	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-62	-1.5	169.4	-66.9	-13.6	0	0	0	114.3	R834	D576-R834 IonicContact OD2-NH1 3.62Å; D576-R834 PolarHBondContact OD2-NH1 3.18Å
577	T	89.9	Confident	92.5	Very high	13 Å²	13	35.4 Å²	35.4	8%	0.08	18%	0.176	C	C	.	.	S	Bend	trans	-129.8	144.8	-170.2	65.1	0	0	0	0	113.5	T575 T604 S646 F647 R648	T575-T577 PolarHBondContact O-N 3.41Å; T575-T577 PolarHBondContact OG1-N 3.08Å; T575-T577 VanDerWaalsContact OG1-N 3.08Å; T575-T577 PolarHBondContact OG1-O 2.91Å; T575-T577 PolarHBondContact OG1-OG1 3.36Å; T577-T604 HydrophobicContact CG2-CG2 3.74Å; T577-S646 CarbonylContact O-C 3.57Å; T577-S646 PolarHBondContact O-OG 2.83Å; T577-F647 CarbonylContact O-C 3.57Å; T577-F647 VanDerWaalsContact O-C 3.3Å; T577-F647 WeakPolarHBondContact O-CA 3.38Å; T577-R648 PolarHBondContact O-N 3.26Å
578	L	94.1	Very high	92.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	106.3	168.9	-173.8	164.4	0	0	0	107.4	I580 T601 Y602 I603 I627 S646 F647 L689 F721	L578-I580 HydrophobicContact CD2-CD1 4.12Å; L578-I580 HydrophobicContact CD2-CG1 4.07Å; L578-T601 HydrophobicContact CD2-CG2 3.5Å; L578-Y602 CarbonylContact O-C 3.58Å; L578-Y602 WeakPolarHBondContact O-CA 3.18Å; L578-I603 HydrophobicContact CB-CB 4.3Å; L578-I603 HydrophobicContact CD2-CD1 4.47Å; L578-I603 PolarHBondContact N-O 2.92Å; L578-I603 PolarHBondContact O-N 3.3Å; L578-I627 HydrophobicContact CD1-CG2 4.01Å; L578-I627 HydrophobicContact CD2-CG2 4.35Å; L578-S646 CarbonylContact C-O 3.59Å; L578-S646 WeakPolarHBondContact CA-O 3.46Å; L578-F647 HydrophobicContact CD1-CD1 4.42Å; L578-F647 HydrophobicContact CG-CD1 4.1Å; L578-L689 HydrophobicContact CD1-CD1 4.25Å; L578-F721 HydrophobicContact CB-CD2 3.97Å; L578-F721 HydrophobicContact CB-CE2 3.79Å
579	A	94.4	Very high	92.8	Very high	12 Å²	12	33.8 Å²	33.8	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	105.9	-175.5	0	0	0	0	0	109.4	T601 Y602 Y644 A645 S646	A579-T601 CarbonylContact C-O 3.41Å; A579-T601 WeakPolarHBondContact CA-O 3.48Å; A579-Y602 HydrophobicContact CB-CD2 3.78Å; A579-Y602 HydrophobicContact CB-CE2 4.1Å; A579-Y644 HydrophobicContact CB-CE1 4.44Å; A579-A645 CarbonylContact O-C 3.54Å; A579-A645 WeakPolarHBondContact O-CA 3.47Å; A579-S646 PolarHBondContact N-O 2.9Å; A579-S646 PolarHBondContact O-N 3.37Å
580	I	95.4	Very high	92.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.2	178.8	-50.2	175	0	0	0	107.7	L578 N600 T601 I627 C630 A642 F647	L578-I580 HydrophobicContact CD2-CD1 4.12Å; L578-I580 HydrophobicContact CD2-CG1 4.07Å; I580-N600 CarbonylContact O-C 3.58Å; I580-N600 WeakPolarHBondContact O-CA 3.41Å; I580-T601 PolarHBondContact N-O 3.26Å; I580-T601 PolarHBondContact O-N 3.35Å; I580-I627 HydrophobicContact CD1-CG1 4.23Å; I580-C630 HydrophobicContact CD1-CB 4.33Å; I580-A642 HydrophobicContact CG2-CB 3.76Å; I580-F647 HydrophobicContact CD1-CE1 3.84Å; I580-F647 HydrophobicContact CD1-CZ 4.14Å; I580-F647 HydrophobicContact CG1-CE1 4.04Å; I580-F647 HydrophobicContact CG1-CZ 4.14Å
581	K	93.9	Very high	91.8	Very high	91 Å²	91	38.8 Å²	38.8	40%	0.396	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.1	176.1	-168.6	-166.2	-179.2	-154.2	0	109.1	G583 N600 E643 Y644	K581-G583 VanDerWaalsContact C-N 3.28Å; K581-G583 PolarHBondContact O-N 3.34Å; K581-N600 WeakPolarHBondContact CA-OD1 3.45Å; K581-E643 HydrophobicContact CD-CB 4.47Å; K581-E643 VanDerWaalsContact CD-OE2 3.26Å; K581-E643 WeakPolarHBondContact CD-OE2 3.33Å; K581-E643 WeakPolarHBondContact CE-OE2 3.48Å; K581-E643 IonicContact NZ-OE1 3.65Å; K581-E643 PolarHBondContact NZ-OE1 2.95Å; K581-E643 IonicContact NZ-OE2 3.31Å; K581-E643 PolarHBondContact NZ-OE2 3.47Å; K581-E643 WeakPolarHBondContact O-CB 3.47Å; K581-E643 PolarHBondContact O-N 2.97Å; K581-Y644 HydrophobicContact CB-CD1 4.36Å; K581-Y644 PolarHBondContact N-O 3.18Å; K581-Y644 PolarHBondContact O-N 3.07Å
582	Q	92.7	Very high	91	Very high	74 Å²	74	37.9 Å²	37.9	35%	0.346	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	44.9	51.3	-178.9	-58.4	-65.5	5.7	0	0	112.8	W584 A598 N599 N600 E643	Q582-W584 VanDerWaalsContact O-CE3 3.26Å; Q582-W584 WeakPolarHBondContact O-CZ3 3.35Å; Q582-A598 HydrophobicContact CB-CB 3.95Å; Q582-A598 PolarHBondContact OE1-O 2.62Å; Q582-N599 CarbonylContact C-O 3.59Å; Q582-N599 WeakPolarHBondContact CA-O 3.45Å; Q582-N599 PolarHBondContact N-O 3.44Å; Q582-N600 PolarHBondContact N-OD1 3.17Å; Q582-E643 HydrophobicContact CB-CB 4.03Å
583	G	93.4	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	151.9	174.5	0	0	0	0	0	112.6	K581 A598 N599 Q626 P641	K581-G583 VanDerWaalsContact C-N 3.28Å; K581-G583 PolarHBondContact O-N 3.34Å; G583-A598 CarbonylContact O-C 3.56Å; G583-A598 WeakPolarHBondContact O-CA 3.28Å; G583-N599 PolarHBondContact N-O 3.32Å; G583-N599 PolarHBondContact O-N 2.82Å; G583-Q626 PolarHBondContact O-NE2 3.06Å; G583-P641 CarbonylContact C-O 3.59Å; G583-P641 WeakPolarHBondContact CA-O 3.48Å
584	W	92.9	Very high	89	Confident	30 Å²	30	46.6 Å²	46.6	11%	0.114	25%	0.25	C	S	.	.			trans	-136.4	166	178	64.2	88.1	0	0	0	112.9	D568 Y569 Q582 P586 E589 P596 A598 Q626 P641	D568-W584 HydrophobicContact CB-CH2 4.39Å; D568-W584 WeakPolarHBondContact O-CH2 3.44Å; Y569-W584 HydrophobicContact CD1-CZ2 4.4Å; Q582-W584 VanDerWaalsContact O-CE3 3.26Å; Q582-W584 WeakPolarHBondContact O-CZ3 3.35Å; W584-P586 WeakPolarHBondContact O-CD 3.35Å; W584-E589 VanDerWaalsContact NE1-CD 3.32Å; W584-E589 PolarHBondContact NE1-OE2 2.8Å; W584-P596 HydrophobicContact CB-CB 4.49Å; W584-P596 HydrophobicContact CB-CG 3.99Å; W584-P596 HydrophobicContact CG-CG 4.18Å; W584-A598 HydrophobicContact CE3-CB 4.49Å; W584-Q626 VanDerWaalsContact C-CD 3.42Å; W584-Q626 VanDerWaalsContact C-OE1 3.25Å; W584-Q626 VanDerWaalsContact CA-OE1 3.3Å; W584-P641 HydrophobicContact CD2-CB 3.87Å; W584-P641 VanDerWaalsContact CE2-CB 3.44Å; W584-P641 HydrophobicContact CG-CB 4.1Å; W584-P641 HydrophobicContact CZ2-CB 3.84Å; W584-P641 PolarHBondContact N-O 3.36Å; W584-P641 VanDerWaalsContact O-CG 3.27Å; W584-P641 WeakPolarHBondContact O-CG 3.37Å
585	H	93.4	Very high	88.3	Confident	13 Å²	13	51.4 Å²	51.4	6%	0.06	27%	0.271	C	S	.	.			trans	-82.8	114.7	-171.6	-170.6	-78.6	0	0	0	112.4	I587 L588 E589 T622 K625 Q626 L629	H585-I587 PolarHBondContact O-N 2.9Å; H585-L588 HydrophobicContact CB-CB 3.91Å; H585-L588 PolarHBondContact ND1-N 2.98Å; H585-L588 WeakPolarHBondContact O-CB 3.38Å; H585-L588 PolarHBondContact O-N 3.13Å; H585-E589 PolarHBondContact O-N 3.38Å; H585-E589 VanDerWaalsContact O-N 3.15Å; H585-T622 HydrophobicContact CB-CG2 4.14Å; H585-T622 PolarHBondContact CD2-O 3.4Å; H585-T622 VanDerWaalsContact CD2-O 3.31Å; H585-K625 VanDerWaalsContact NE2-CB 3.35Å; H585-K625 WeakPolarHBondContact NE2-CB 3.4Å; H585-Q626 HydrophobicContact CB-CB 4.17Å; H585-Q626 HydrophobicContact CB-CG 4.5Å; H585-Q626 PolarHBondContact CD2-N 3.22Å; H585-L629 WeakPolarHBondContact NE2-CD1 3.3Å
586	P	92.1	Very high	88.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-35.9	-168.3	20.4	-30.3	0	0	0	114.1	L269 V272 W584 L588 L629 M633 P641	L269-P586 HydrophobicContact CD1-CG 4.47Å; V272-P586 HydrophobicContact CG1-CB 4.19Å; W584-P586 WeakPolarHBondContact O-CD 3.35Å; P586-L588 VanDerWaalsContact C-N 3.32Å; P586-L629 HydrophobicContact CG-CB 4.03Å; P586-L629 HydrophobicContact CG-CD1 4.17Å; P586-M633 HydrophobicContact CB-SD 4.07Å; P586-M633 HydrophobicContact CG-SD 3.84Å; P586-P641 HydrophobicContact CB-CG 4.08Å; P586-P641 HydrophobicContact CG-CG 4.22Å
587	I	91.1	Very high	88.1	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-72.9	-29.4	177.8	-45.5	173.5	0	0	0	110.8	H267 V272 H585 K590 I591 L629	H267-I587 HydrophobicContact CB-CG2 4.3Å; V272-I587 HydrophobicContact CG2-CB 4.2Å; V272-I587 HydrophobicContact CG2-CG1 3.9Å; H585-I587 PolarHBondContact O-N 2.9Å; I587-K590 PolarHBondContact O-N 3.4Å; I587-I591 HydrophobicContact CG2-CD1 4.06Å; I587-I591 WeakPolarHBondContact O-CD1 3.32Å; I587-I591 WeakPolarHBondContact O-CG1 3.37Å; I587-I591 PolarHBondContact O-N 3Å; I587-L629 HydrophobicContact CD1-CD1 3.84Å; I587-L629 HydrophobicContact CD1-CD2 4.42Å; I587-L629 HydrophobicContact CG1-CD1 4.11Å
588	L	88.9	Confident	88.1	Confident	61 Å²	61	51.6 Å²	51.6	32%	0.319	28%	0.277	S	S	.	.	H	α-helix	trans	-76.7	-33.2	-177.2	-175	59.2	0	0	0	111	H585 P586 K590 I591 S592 P596 T622	H585-L588 HydrophobicContact CB-CB 3.91Å; H585-L588 PolarHBondContact ND1-N 2.98Å; H585-L588 WeakPolarHBondContact O-CB 3.38Å; H585-L588 PolarHBondContact O-N 3.13Å; P586-L588 VanDerWaalsContact C-N 3.32Å; L588-K590 PolarHBondContact O-N 2.92Å; L588-I591 PolarHBondContact O-N 2.87Å; L588-S592 WeakPolarHBondContact O-CB 3.41Å; L588-S592 PolarHBondContact O-N 2.78Å; L588-P596 HydrophobicContact CD2-CB 3.95Å; L588-P596 HydrophobicContact CG-CB 4.21Å; L588-T622 HydrophobicContact CD2-CG2 4.17Å
589	E	88.6	Confident	88.1	Confident	32 Å²	32	52 Å²	52	15%	0.15	28%	0.28	C	S	.	.	H	α-helix	trans	-56.1	-34.2	170.1	-173.3	-178.1	-176.7	0	0	112.8	S567 W584 H585 P596	S567-E589 WeakPolarHBondContact CB-OE1 3.33Å; S567-E589 VanDerWaalsContact OG-CD 3.28Å; S567-E589 PolarHBondContact OG-OE1 2.92Å; W584-E589 VanDerWaalsContact NE1-CD 3.32Å; W584-E589 PolarHBondContact NE1-OE2 2.8Å; H585-E589 PolarHBondContact O-N 3.38Å; H585-E589 VanDerWaalsContact O-N 3.15Å; E589-P596 HydrophobicContact CB-CG 4.29Å
590	K	83.4	Confident	88	Confident	76 Å²	76	55 Å²	55	33%	0.33	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.1	174.9	-74.8	-160.2	177.4	-173.9	0	115.3	G271 V272 Y275 I587 L588	G271-K590 PolarHBondContact O-NZ 2.97Å; V272-K590 HydrophobicContact CB-CD 4.49Å; V272-K590 HydrophobicContact CG2-CD 4.18Å; V272-K590 WeakPolarHBondContact O-CE 3.2Å; V272-K590 PolarHBondContact O-NZ 3.43Å; Y275-K590 WeakPolarHBondContact OH-CE 3.31Å; Y275-K590 PolarHBondContact OH-NZ 3.45Å; I587-K590 PolarHBondContact O-N 3.4Å; L588-K590 PolarHBondContact O-N 2.92Å
591	I	84.7	Confident	87.9	Confident	97 Å²	97	55.1 Å²	55.1	50%	0.497	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-40.7	179.3	-65.5	163.3	0	0	0	110.8	H267 I587 L588	H267-I591 HydrophobicContact CB-CD1 4.14Å; H267-I591 HydrophobicContact CB-CG1 4.3Å; H267-I591 WeakPolarHBondContact ND1-CG1 3.34Å; I587-I591 HydrophobicContact CG2-CD1 4.06Å; I587-I591 WeakPolarHBondContact O-CD1 3.32Å; I587-I591 WeakPolarHBondContact O-CG1 3.37Å; I587-I591 PolarHBondContact O-N 3Å; L588-I591 PolarHBondContact O-N 2.87Å
592	S	79	Confident	87.8	Confident	53 Å²	53	54.3 Å²	54.3	37%	0.371	29%	0.29	S	S	.	.			trans	-81.4	143	-175.5	-175	0	0	0	0	112	L588 E594	L588-S592 WeakPolarHBondContact O-CB 3.41Å; L588-S592 PolarHBondContact O-N 2.78Å; S592-E594 VanDerWaalsContact C-N 3.32Å; S592-E594 VanDerWaalsContact CB-O 3.24Å; S592-E594 WeakPolarHBondContact CB-O 3.49Å; S592-E594 PolarHBondContact OG-N 3.06Å; S592-E594 VanDerWaalsContact OG-N 3.15Å; S592-E594 PolarHBondContact OG-O 2.82Å
593	A	70.6	Confident	87.8	Confident	112 Å²	112	50.8 Å²	50.8	93%	0.926	27%	0.273	S	S	*	.	S	Bend	trans	-78.1	-18.6	169.1	0	0	0	0	0	112.8
594	E	78.5	Confident	87.6	Confident	160 Å²	160	50.9 Å²	50.9	75%	0.748	27%	0.274	S	S	*	.	S	Bend	trans	-110.9	143.6	176.4	-63.8	-176.8	173.2	0	0	110.2	S592	S592-E594 VanDerWaalsContact C-N 3.32Å; S592-E594 VanDerWaalsContact CB-O 3.24Å; S592-E594 WeakPolarHBondContact CB-O 3.49Å; S592-E594 PolarHBondContact OG-N 3.06Å; S592-E594 VanDerWaalsContact OG-N 3.15Å; S592-E594 PolarHBondContact OG-O 2.82Å
595	K	78.3	Confident	87	Confident	142 Å²	142	54.7 Å²	54.7	62%	0.617	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-60.6	128.4	178.5	-82.2	-165.6	170.3	-170	0	110.5	D568	D568-K595 IonicContact OD2-NZ 2.73Å; D568-K595 PolarHBondContact OD2-NZ 2.9Å
596	P	86.3	Confident	86.3	Confident	22 Å²	22	54.1 Å²	54.1	14%	0.143	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.6	-179	22.4	-32.3	0	0	0	112.9	W584 L588 E589 A598	W584-P596 HydrophobicContact CB-CB 4.49Å; W584-P596 HydrophobicContact CB-CG 3.99Å; W584-P596 HydrophobicContact CG-CG 4.18Å; L588-P596 HydrophobicContact CD2-CB 3.95Å; L588-P596 HydrophobicContact CG-CB 4.21Å; E589-P596 HydrophobicContact CB-CG 4.29Å; P596-A598 PolarHBondContact O-N 3.47Å
597	V	87.9	Confident	86	Confident	68 Å²	68	54.3 Å²	54.3	41%	0.412	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-64.9	117.4	-178.5	179.7	0	0	0	0	110.9	N599 Y765	V597-N599 PolarHBondContact O-ND2 3.33Å; V597-Y765 HydrophobicContact CG2-CD2 4.22Å
598	A	91.5	Very high	85.9	Confident	30 Å²	30	54 Å²	54	25%	0.248	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-73	145.4	179.2	0	0	0	0	0	112.4	Q582 G583 W584 P596	Q582-A598 HydrophobicContact CB-CB 3.95Å; Q582-A598 PolarHBondContact OE1-O 2.62Å; G583-A598 CarbonylContact O-C 3.56Å; G583-A598 WeakPolarHBondContact O-CA 3.28Å; W584-A598 HydrophobicContact CE3-CB 4.49Å; P596-A598 PolarHBondContact O-N 3.47Å
599	N	92.3	Very high	86.1	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.2	-173.9	-84.3	-75.4	0	0	0	112.2	Q582 G583 V597 Y623 Y765 L767	Q582-N599 CarbonylContact C-O 3.59Å; Q582-N599 WeakPolarHBondContact CA-O 3.45Å; Q582-N599 PolarHBondContact N-O 3.44Å; G583-N599 PolarHBondContact N-O 3.32Å; G583-N599 PolarHBondContact O-N 2.82Å; V597-N599 PolarHBondContact O-ND2 3.33Å; N599-Y623 HydrophobicContact CB-CD2 4.03Å; N599-Y623 HydrophobicContact CB-CE2 3.98Å; N599-Y765 PolarHBondContact ND2-O 3.48Å; N599-Y765 PolarHBondContact OD1-O 3.15Å; N599-L767 WeakPolarHBondContact OD1-CB 3.47Å; N599-L767 PolarHBondContact OD1-N 3.3Å
600	N	93.3	Very high	86.3	Confident	74 Å²	74	49.7 Å²	49.7	40%	0.396	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.7	179.9	-58.9	-73.9	0	0	0	110.8	I580 K581 Q582 Y623	I580-N600 CarbonylContact O-C 3.58Å; I580-N600 WeakPolarHBondContact O-CA 3.41Å; K581-N600 WeakPolarHBondContact CA-OD1 3.45Å; Q582-N600 PolarHBondContact N-OD1 3.17Å; N600-Y623 PolarHBondContact O-OH 3.01Å
601	T	93	Very high	86.7	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.043	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.8	178.3	-50.6	0	0	0	0	109	L578 A579 I580 I603 Y623 I627	L578-T601 HydrophobicContact CD2-CG2 3.5Å; A579-T601 CarbonylContact C-O 3.41Å; A579-T601 WeakPolarHBondContact CA-O 3.48Å; I580-T601 PolarHBondContact N-O 3.26Å; I580-T601 PolarHBondContact O-N 3.35Å; T601-I603 HydrophobicContact CG2-CD1 4.27Å; T601-I603 HydrophobicContact CG2-CG1 4.29Å; T601-Y623 WeakPolarHBondContact CB-OH 2.98Å; T601-Y623 WeakPolarHBondContact CG2-OH 3.35Å; T601-Y623 WeakPolarHBondContact OG1-CE2 3.34Å; T601-Y623 PolarHBondContact OG1-OH 2.86Å; T601-I627 HydrophobicContact CG2-CD1 3.63Å; T601-I627 HydrophobicContact CG2-CG1 4.23Å
602	Y	92.1	Very high	87.1	Confident	74 Å²	74	41.5 Å²	41.5	29%	0.29	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	116.3	176.8	-169.8	-102.7	0	0	0	110.5	L578 A579 T604 Q831	L578-Y602 CarbonylContact O-C 3.58Å; L578-Y602 WeakPolarHBondContact O-CA 3.18Å; A579-Y602 HydrophobicContact CB-CD2 3.78Å; A579-Y602 HydrophobicContact CB-CE2 4.1Å; Y602-T604 HydrophobicContact CD1-CG2 4.04Å; Y602-T604 HydrophobicContact CE1-CG2 3.41Å; Y602-T604 VanDerWaalsContact CE1-CG2 3.41Å; Y602-T604 HydrophobicContact CE2-CG2 4.27Å; Y602-Q831 PolarHBondContact OH-OE1 2.9Å; Y602-Q831 VanDerWaalsContact OH-OE1 3.06Å
603	I	91.9	Very high	87.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.4	-176.3	-54.2	179.9	0	0	0	108.6	L578 T601 S607 L610 F721 L723	L578-I603 HydrophobicContact CB-CB 4.3Å; L578-I603 HydrophobicContact CD2-CD1 4.47Å; L578-I603 PolarHBondContact N-O 2.92Å; L578-I603 PolarHBondContact O-N 3.3Å; T601-I603 HydrophobicContact CG2-CD1 4.27Å; T601-I603 HydrophobicContact CG2-CG1 4.29Å; I603-S607 WeakPolarHBondContact CG2-O 3.34Å; I603-L610 HydrophobicContact CD1-CD1 3.84Å; I603-L610 HydrophobicContact CD1-CG 4.12Å; I603-L610 HydrophobicContact CG1-CD1 3.64Å; I603-L610 HydrophobicContact CG1-CG 3.93Å; I603-F721 HydrophobicContact CB-CD2 4.27Å; I603-F721 HydrophobicContact CB-CE2 4.35Å; I603-F721 HydrophobicContact CG2-CB 4.09Å; I603-F721 HydrophobicContact CG2-CD1 3.75Å; I603-F721 HydrophobicContact CG2-CD2 3.74Å; I603-F721 HydrophobicContact CG2-CE1 4.03Å; I603-F721 HydrophobicContact CG2-CE2 4.02Å; I603-F721 HydrophobicContact CG2-CG 3.59Å; I603-F721 HydrophobicContact CG2-CZ 4.16Å; I603-L723 HydrophobicContact CD1-CD1 3.53Å; I603-L723 HydrophobicContact CD1-CD2 3.97Å; I603-L723 HydrophobicContact CD1-CG 3.75Å
604	T	89.4	Confident	88.2	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-146.7	170.3	-173.5	76.2	0	0	0	0	110.6	T577 Y602 G606 S607 N608 Q831	T577-T604 HydrophobicContact CG2-CG2 3.74Å; Y602-T604 HydrophobicContact CD1-CG2 4.04Å; Y602-T604 HydrophobicContact CE1-CG2 3.41Å; Y602-T604 VanDerWaalsContact CE1-CG2 3.41Å; Y602-T604 HydrophobicContact CE2-CG2 4.27Å; T604-G606 PolarHBondContact O-N 3.31Å; T604-G606 VanDerWaalsContact O-N 3.1Å; T604-G606 PolarHBondContact OG1-N 3.36Å; T604-S607 PolarHBondContact N-O 3.22Å; T604-S607 PolarHBondContact N-OG 3.28Å; T604-S607 CarbonylContact O-C 3.4Å; T604-S607 PolarHBondContact O-N 3.29Å; T604-S607 PolarHBondContact OG1-N 2.86Å; T604-S607 PolarHBondContact OG1-OG 3.45Å; T604-N608 VanDerWaalsContact O-CA 3.3Å; T604-N608 WeakPolarHBondContact O-CA 3.29Å; T604-N608 WeakPolarHBondContact O-CB 3.39Å; T604-N608 PolarHBondContact O-N 2.95Å; T604-Q831 PolarHBondContact OG1-NE2 2.97Å; T604-Q831 VanDerWaalsContact OG1-NE2 3.08Å
605	E	81.4	Confident	88.2	Confident	109 Å²	109	27 Å²	27	51%	0.509	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.5	172.9	-56.6	-169	114.1	0	0	113.6	N740 R834	E605-N740 PolarHBondContact O-ND2 2.58Å; E605-R834 IonicContact OE2-NH1 3.06Å; E605-R834 PolarHBondContact OE2-NH1 3.5Å; E605-R834 VanDerWaalsContact OE2-NH1 3.09Å
606	G	79	Confident	88.2	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.01	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	1.3	177.3	0	0	0	0	0	114.9	T604 Y823	T604-G606 PolarHBondContact O-N 3.31Å; T604-G606 VanDerWaalsContact O-N 3.1Å; T604-G606 PolarHBondContact OG1-N 3.36Å; G606-Y823 WeakPolarHBondContact O-CE1 3.48Å
607	S	85.8	Confident	87.7	Confident	4 Å²	4	29.9 Å²	29.9	3%	0.028	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-155.1	54	-177.1	65.5	0	0	0	0	108.7	I603 T604 N740	I603-S607 WeakPolarHBondContact CG2-O 3.34Å; T604-S607 PolarHBondContact N-O 3.22Å; T604-S607 PolarHBondContact N-OG 3.28Å; T604-S607 CarbonylContact O-C 3.4Å; T604-S607 PolarHBondContact O-N 3.29Å; T604-S607 PolarHBondContact OG1-N 2.86Å; T604-S607 PolarHBondContact OG1-OG 3.45Å; S607-N740 CarbonylContact C-O 3.56Å; S607-N740 VanDerWaalsContact CA-O 3.31Å; S607-N740 WeakPolarHBondContact CA-O 3.48Å
608	N	88.7	Confident	87.4	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.14	C	C	.	.			trans	-86.5	-8.8	-165.9	75	-80.2	0	0	0	113.7	T604 A720 F721 T722 N740	T604-N608 VanDerWaalsContact O-CA 3.3Å; T604-N608 WeakPolarHBondContact O-CA 3.29Å; T604-N608 WeakPolarHBondContact O-CB 3.39Å; T604-N608 PolarHBondContact O-N 2.95Å; N608-A720 PolarHBondContact ND2-O 3.21Å; N608-F721 HydrophobicContact CB-CD1 4.15Å; N608-F721 HydrophobicContact CB-CE1 4.43Å; N608-F721 WeakPolarHBondContact O-CA 3.49Å; N608-T722 PolarHBondContact O-N 3.4Å; N608-N740 PolarHBondContact N-O 2.69Å; N608-N740 WeakPolarHBondContact OD1-CB 3.41Å; N608-N740 PolarHBondContact OD1-ND2 3.23Å
609	V	91.9	Very high	87	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117	175.9	-175.9	0	0	0	0	110.5	L716 T722 N740 V741 E742	V609-L716 HydrophobicContact CB-CD2 4.05Å; V609-L716 HydrophobicContact CG2-CD2 3.47Å; V609-L716 VanDerWaalsContact CG2-CD2 3.47Å; V609-L716 HydrophobicContact CG2-CG 3.84Å; V609-T722 WeakPolarHBondContact CA-O 3.4Å; V609-T722 HydrophobicContact CG1-CG2 4.45Å; V609-N740 PolarHBondContact N-O 2.62Å; V609-V741 HydrophobicContact CB-CG2 4.46Å; V609-V741 WeakPolarHBondContact O-CA 3.48Å; V609-E742 PolarHBondContact O-N 3.16Å
610	L	93.2	Very high	86.9	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.2	171.9	-60.2	-171.6	0	0	0	110.3	I603 I612 T722 L723 F724 E742	I603-L610 HydrophobicContact CD1-CD1 3.84Å; I603-L610 HydrophobicContact CD1-CG 4.12Å; I603-L610 HydrophobicContact CG1-CD1 3.64Å; I603-L610 HydrophobicContact CG1-CG 3.93Å; L610-I612 HydrophobicContact CB-CG1 4.41Å; L610-T722 PolarHBondContact N-O 3.07Å; L610-L723 HydrophobicContact CB-CG 4.38Å; L610-L723 HydrophobicContact CD1-CD2 4.03Å; L610-L723 HydrophobicContact CD1-CG 4.49Å; L610-F724 PolarHBondContact O-N 3.44Å; L610-E742 WeakPolarHBondContact CA-O 3.42Å; L610-E742 HydrophobicContact CD2-CB 3.84Å; L610-E742 HydrophobicContact CD2-CG 4.35Å
611	I	92.4	Very high	86.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.1	169.8	-60.6	176.5	0	0	0	107.6	T726 L731 L734 V741 E742 M744	I611-T726 HydrophobicContact CG2-CG2 4.03Å; I611-L731 HydrophobicContact CD1-CG 4.36Å; I611-L731 WeakPolarHBondContact CD1-O 3.33Å; I611-L734 HydrophobicContact CD1-CB 4Å; I611-L734 HydrophobicContact CD1-CD1 3.95Å; I611-V741 HydrophobicContact CD1-CG1 3.6Å; I611-V741 HydrophobicContact CG1-CG1 3.98Å; I611-E742 PolarHBondContact N-O 3.49Å; I611-M744 PolarHBondContact O-N 3.49Å
612	I	92.1	Very high	86.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.6	-172.2	-59.7	161.1	0	0	0	109.4	L610 Y623 L624 L723 F724 T725 T726 M744 F746 L767	L610-I612 HydrophobicContact CB-CG1 4.41Å; I612-Y623 HydrophobicContact CD1-CD1 4Å; I612-Y623 HydrophobicContact CD1-CE1 3.72Å; I612-L624 HydrophobicContact CD1-CD2 4.21Å; I612-L723 HydrophobicContact CD1-CB 4.3Å; I612-L723 HydrophobicContact CD1-CD2 4.07Å; I612-F724 PolarHBondContact N-O 2.84Å; I612-T725 HydrophobicContact CB-CG2 3.58Å; I612-T725 HydrophobicContact CD1-CG2 4.06Å; I612-T725 HydrophobicContact CG1-CG2 4.43Å; I612-T725 HydrophobicContact CG2-CG2 3.67Å; I612-T725 VanDerWaalsContact O-CA 3.29Å; I612-T725 WeakPolarHBondContact O-CA 3.46Å; I612-T726 PolarHBondContact O-N 2.63Å; I612-M744 WeakPolarHBondContact CA-O 3.43Å; I612-M744 HydrophobicContact CG1-CB 4.22Å; I612-F746 HydrophobicContact CG2-CD2 4.22Å; I612-F746 HydrophobicContact CG2-CE2 3.83Å; I612-L767 HydrophobicContact CG2-CD1 4.03Å
613	T	89.2	Confident	86.6	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	159.7	174.5	54.6	0	0	0	0	111.6	T726 L729 C732 M744 H745 F746 T772	T613-T726 HydrophobicContact CG2-CG2 4.04Å; T613-L729 HydrophobicContact CG2-CD2 4.05Å; T613-C732 WeakPolarHBondContact CG2-SG 3.47Å; T613-M744 PolarHBondContact N-O 3.23Å; T613-M744 PolarHBondContact OG1-O 2.93Å; T613-H745 WeakPolarHBondContact O-CA 3.47Å; T613-H745 WeakPolarHBondContact O-CB 3.35Å; T613-H745 WeakPolarHBondContact OG1-CB 3.47Å; T613-F746 PolarHBondContact O-N 2.79Å; T613-T772 PolarHBondContact OG1-OG1 2.96Å
614	G	83.1	Confident	86.6	Confident	9 Å²	9	23.5 Å²	23.5	9%	0.093	13%	0.131	C	C	.	.			trans	157.4	158.6	174.7	0	0	0	0	0	112.7	K620	G614-K620 PolarHBondContact O-NZ 2.92Å
615	P	78.6	Confident	86.8	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.058	14%	0.136	C	C	.	.			trans	-61.2	160.9	-175	14.5	-21.2	0	0	0	113.6	M617 S618 V748 Y763 Y777	P615-M617 PolarHBondContact O-N 3.17Å; P615-S618 WeakPolarHBondContact O-CB 3.45Å; P615-S618 PolarHBondContact O-N 3.11Å; P615-S618 VanDerWaalsContact O-N 3.16Å; P615-S618 PolarHBondContact O-OG 2.99Å; P615-V748 HydrophobicContact CG-CG2 3.63Å; P615-Y763 HydrophobicContact CG-CD1 4.46Å; P615-Y763 HydrophobicContact CG-CE1 4.45Å; P615-Y777 HydrophobicContact CB-CD1 3.41Å; P615-Y777 VanDerWaalsContact CB-CD1 3.41Å; P615-Y777 HydrophobicContact CB-CD2 3.68Å; P615-Y777 HydrophobicContact CB-CE1 3.28Å; P615-Y777 HydrophobicContact CB-CE2 3.58Å; P615-Y777 HydrophobicContact CB-CG 3.59Å; P615-Y777 HydrophobicContact CG-CD2 4.24Å; P615-Y777 HydrophobicContact CG-CE2 4.23Å; P615-Y777 HydrophobicContact CG-CG 4.44Å
616	N	78.2	Confident	87.4	Confident	72 Å²	72	19.8 Å²	19.8	39%	0.385	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	141.4	164.2	-76.3	-18.9	0	0	0	109.7	S618 H727 Y777	N616-S618 PolarHBondContact O-N 2.8Å; N616-H727 PolarHBondContact OD1-CE1 3.31Å; N616-H727 PolarHBondContact OD1-NE2 3.07Å; N616-Y777 PolarHBondContact O-OH 2.99Å; N616-Y777 VanDerWaalsContact O-OH 3.13Å
617	M	77.4	Confident	88.2	Confident	152 Å²	152	19.7 Å²	19.7	75%	0.749	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	5.1	-175.6	-50.2	161.8	69.7	0	0	115.6	P615 G619 Y765	P615-M617 PolarHBondContact O-N 3.17Å; M617-G619 VanDerWaalsContact C-N 3.27Å; M617-G619 PolarHBondContact O-N 3.05Å; M617-Y765 WeakPolarHBondContact O-CE1 3.06Å
618	S	80.8	Confident	88.6	Confident	3 Å²	3	19.5 Å²	19.5	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	-72.6	-7.8	177.7	61.2	0	0	0	0	116.4	P615 N616 F746 Y765	P615-S618 WeakPolarHBondContact O-CB 3.45Å; P615-S618 PolarHBondContact O-N 3.11Å; P615-S618 VanDerWaalsContact O-N 3.16Å; P615-S618 PolarHBondContact O-OG 2.99Å; N616-S618 PolarHBondContact O-N 2.8Å; S618-F746 VanDerWaalsContact O-CD1 3.3Å; S618-F746 WeakPolarHBondContact O-CD1 3.29Å; S618-Y765 WeakPolarHBondContact O-CD1 3.21Å
619	G	84.3	Confident	88.9	Confident	14 Å²	14	19.5 Å²	19.5	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	102.7	2.6	-178.1	0	0	0	0	0	115.9	M617 S621 T622 Y623	M617-G619 VanDerWaalsContact C-N 3.27Å; M617-G619 PolarHBondContact O-N 3.05Å; G619-S621 PolarHBondContact O-N 3.45Å; G619-T622 WeakPolarHBondContact O-CB 3.47Å; G619-T622 PolarHBondContact O-N 2.88Å; G619-T622 VanDerWaalsContact O-N 3.1Å; G619-Y623 PolarHBondContact O-N 2.91Å
620	K	89.1	Confident	89	Confident	7 Å²	7	19.5 Å²	19.5	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-41.2	-63	178.8	-61.5	-154.5	-49.4	-76	0	113.8	G614 T622 Y623 L624 E694 T725 H727 F746	G614-K620 PolarHBondContact O-NZ 2.92Å; K620-T622 VanDerWaalsContact C-N 3.33Å; K620-T622 PolarHBondContact O-N 3.19Å; K620-Y623 PolarHBondContact O-N 3.12Å; K620-L624 PolarHBondContact O-N 2.91Å; K620-L624 VanDerWaalsContact O-N 3.12Å; K620-E694 IonicContact NZ-OE1 2.7Å; K620-E694 PolarHBondContact NZ-OE1 3.26Å; K620-T725 HydrophobicContact CB-CG2 3.78Å; K620-T725 HydrophobicContact CD-CG2 4.13Å; K620-T725 HydrophobicContact CG-CG2 4.33Å; K620-H727 PolarHBondContact NZ-CE1 3.05Å; K620-H727 VanDerWaalsContact NZ-CE1 3.29Å; K620-H727 PolarHBondContact NZ-NE2 3.14Å; K620-F746 HydrophobicContact CB-CE2 4.44Å; K620-F746 HydrophobicContact CG-CD2 4.08Å; K620-F746 HydrophobicContact CG-CE2 4.11Å
621	S	88.9	Confident	89.2	Confident	42 Å²	42	19.5 Å²	19.5	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-63.4	-37.5	-177.5	-38.4	0	0	0	0	112.3	G619 L624 K625 D693	G619-S621 PolarHBondContact O-N 3.45Å; S621-L624 PolarHBondContact O-N 2.97Å; S621-K625 WeakPolarHBondContact O-CG 3.38Å; S621-K625 PolarHBondContact O-N 3.43Å; S621-D693 WeakPolarHBondContact CB-OD2 3.37Å; S621-D693 PolarHBondContact OG-OD2 3.44Å
622	T	90.4	Very high	89.3	Confident	58 Å²	58	19.5 Å²	19.5	36%	0.356	11%	0.111	S	C	.	.	H	α-helix	trans	-62.4	-43.5	175.8	-45.8	0	0	0	0	111.3	H585 L588 G619 K620 K625 Q626	H585-T622 HydrophobicContact CB-CG2 4.14Å; H585-T622 PolarHBondContact CD2-O 3.4Å; H585-T622 VanDerWaalsContact CD2-O 3.31Å; L588-T622 HydrophobicContact CD2-CG2 4.17Å; G619-T622 WeakPolarHBondContact O-CB 3.47Å; G619-T622 PolarHBondContact O-N 2.88Å; G619-T622 VanDerWaalsContact O-N 3.1Å; K620-T622 VanDerWaalsContact C-N 3.33Å; K620-T622 PolarHBondContact O-N 3.19Å; T622-K625 PolarHBondContact O-N 2.86Å; T622-Q626 WeakPolarHBondContact O-CB 3.19Å; T622-Q626 PolarHBondContact O-N 3.37Å
623	Y	92.6	Very high	89.4	Confident	4 Å²	4	19.5 Å²	19.5	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-66.3	-37.1	177.3	174.5	-99.8	0	0	0	112.3	N599 N600 T601 I612 G619 K620 I627 L723 F746 L767	N599-Y623 HydrophobicContact CB-CD2 4.03Å; N599-Y623 HydrophobicContact CB-CE2 3.98Å; N600-Y623 PolarHBondContact O-OH 3.01Å; T601-Y623 WeakPolarHBondContact CB-OH 2.98Å; T601-Y623 WeakPolarHBondContact CG2-OH 3.35Å; T601-Y623 WeakPolarHBondContact OG1-CE2 3.34Å; T601-Y623 PolarHBondContact OG1-OH 2.86Å; I612-Y623 HydrophobicContact CD1-CD1 4Å; I612-Y623 HydrophobicContact CD1-CE1 3.72Å; G619-Y623 PolarHBondContact O-N 2.91Å; K620-Y623 PolarHBondContact O-N 3.12Å; Y623-I627 HydrophobicContact CD1-CD1 4.05Å; Y623-I627 HydrophobicContact CD2-CD1 4.47Å; Y623-I627 HydrophobicContact CE1-CD1 3.54Å; Y623-I627 HydrophobicContact CE2-CD1 4.01Å; Y623-I627 HydrophobicContact CG-CD1 4.49Å; Y623-I627 WeakPolarHBondContact O-CG1 3.16Å; Y623-I627 PolarHBondContact O-N 3.23Å; Y623-L723 HydrophobicContact CE1-CD2 4.12Å; Y623-F746 HydrophobicContact CD1-CZ 4.46Å; Y623-F746 HydrophobicContact CG-CZ 4.06Å; Y623-L767 HydrophobicContact CE1-CD2 3.79Å; Y623-L767 HydrophobicContact CE2-CD2 3.96Å; Y623-L767 VanDerWaalsContact CZ-CD2 3.45Å; Y623-L767 WeakPolarHBondContact OH-CD2 3.45Å
624	L	93.3	Very high	89.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-53.1	170.1	-68	-169.9	0	0	0	111.7	I612 K620 S621 Q626 I627 A628 I657 L691 D693 L723 T725	I612-L624 HydrophobicContact CD1-CD2 4.21Å; K620-L624 PolarHBondContact O-N 2.91Å; K620-L624 VanDerWaalsContact O-N 3.12Å; S621-L624 PolarHBondContact O-N 2.97Å; L624-Q626 VanDerWaalsContact C-N 3.28Å; L624-Q626 PolarHBondContact O-N 2.86Å; L624-I627 PolarHBondContact O-N 3.1Å; L624-I627 VanDerWaalsContact O-N 3.17Å; L624-A628 PolarHBondContact O-N 2.93Å; L624-I657 HydrophobicContact CB-CD1 4.42Å; L624-L691 HydrophobicContact CB-CD1 4.22Å; L624-L691 HydrophobicContact CD1-CB 4.4Å; L624-L691 HydrophobicContact CD2-CD2 4.27Å; L624-L691 WeakPolarHBondContact O-CD1 3.41Å; L624-D693 HydrophobicContact CD1-CB 3.96Å; L624-L723 HydrophobicContact CD2-CB 3.5Å; L624-L723 HydrophobicContact CD2-CD2 4.22Å; L624-L723 HydrophobicContact CD2-CG 4.46Å; L624-T725 HydrophobicContact CD1-CG2 3.99Å; L624-T725 WeakPolarHBondContact CD1-OG1 3.41Å; L624-T725 HydrophobicContact CD2-CG2 4.24Å; L624-T725 HydrophobicContact CG-CG2 4Å
625	K	92.4	Very high	90.3	Very high	28 Å²	28	19 Å²	19	12%	0.122	11%	0.106	C	C	.	.	H	α-helix	trans	-54.3	-45.5	177	-69.7	-160.2	-167	-153.5	0	111.3	N253 L254 E255 H585 S621 T622 I627 A628 L629 I657	N253-K625 WeakPolarHBondContact O-CE 3.45Å; N253-K625 PolarHBondContact O-NZ 3.39Å; L254-K625 HydrophobicContact CD2-CB 4.35Å; L254-K625 HydrophobicContact CD2-CG 4.3Å; E255-K625 IonicContact OE2-NZ 3.35Å; E255-K625 PolarHBondContact OE2-NZ 2.91Å; H585-K625 VanDerWaalsContact NE2-CB 3.35Å; H585-K625 WeakPolarHBondContact NE2-CB 3.4Å; S621-K625 WeakPolarHBondContact O-CG 3.38Å; S621-K625 PolarHBondContact O-N 3.43Å; T622-K625 PolarHBondContact O-N 2.86Å; K625-I627 VanDerWaalsContact C-N 3.31Å; K625-I627 PolarHBondContact O-N 3.07Å; K625-A628 PolarHBondContact O-N 3.29Å; K625-L629 HydrophobicContact CB-CD1 4.45Å; K625-L629 WeakPolarHBondContact O-CB 3.28Å; K625-L629 WeakPolarHBondContact O-CG 3.41Å; K625-L629 PolarHBondContact O-N 3.41Å; K625-I657 HydrophobicContact CG-CD1 3.63Å
626	Q	94.3	Very high	91	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-52.3	-47.5	178.7	173	179.4	-46.5	0	0	112.1	G583 W584 H585 T622 L624 L629 C630	G583-Q626 PolarHBondContact O-NE2 3.06Å; W584-Q626 VanDerWaalsContact C-CD 3.42Å; W584-Q626 VanDerWaalsContact C-OE1 3.25Å; W584-Q626 VanDerWaalsContact CA-OE1 3.3Å; H585-Q626 HydrophobicContact CB-CB 4.17Å; H585-Q626 HydrophobicContact CB-CG 4.5Å; H585-Q626 PolarHBondContact CD2-N 3.22Å; T622-Q626 WeakPolarHBondContact O-CB 3.19Å; T622-Q626 PolarHBondContact O-N 3.37Å; L624-Q626 VanDerWaalsContact C-N 3.28Å; L624-Q626 PolarHBondContact O-N 2.86Å; Q626-L629 PolarHBondContact O-N 3.44Å; Q626-C630 WeakPolarHBondContact O-CB 3.33Å; Q626-C630 PolarHBondContact O-N 3.14Å; Q626-C630 PolarHBondContact O-SG 2.98Å
627	I	94.9	Very high	91.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-45.6	-176.1	-69.1	164.3	0	0	0	111.3	L578 I580 T601 Y623 L624 K625 C630 Q631 L723	L578-I627 HydrophobicContact CD1-CG2 4.01Å; L578-I627 HydrophobicContact CD2-CG2 4.35Å; I580-I627 HydrophobicContact CD1-CG1 4.23Å; T601-I627 HydrophobicContact CG2-CD1 3.63Å; T601-I627 HydrophobicContact CG2-CG1 4.23Å; Y623-I627 HydrophobicContact CD1-CD1 4.05Å; Y623-I627 HydrophobicContact CD2-CD1 4.47Å; Y623-I627 HydrophobicContact CE1-CD1 3.54Å; Y623-I627 HydrophobicContact CE2-CD1 4.01Å; Y623-I627 HydrophobicContact CG-CD1 4.49Å; Y623-I627 WeakPolarHBondContact O-CG1 3.16Å; Y623-I627 PolarHBondContact O-N 3.23Å; L624-I627 PolarHBondContact O-N 3.1Å; L624-I627 VanDerWaalsContact O-N 3.17Å; K625-I627 VanDerWaalsContact C-N 3.31Å; K625-I627 PolarHBondContact O-N 3.07Å; I627-C630 PolarHBondContact O-N 2.87Å; I627-Q631 WeakPolarHBondContact O-CB 3.42Å; I627-Q631 PolarHBondContact O-N 3.09Å; I627-L723 HydrophobicContact CD1-CD2 3.45Å; I627-L723 VanDerWaalsContact CD1-CD2 3.45Å
628	A	94.4	Very high	92.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.9	-39.6	175.4	0	0	0	0	0	112.5	L254 L624 K625 C630 Q631 I632 I653 T655 L691	L254-A628 HydrophobicContact CD1-CB 3.73Å; L254-A628 HydrophobicContact CD2-CB 3.59Å; L254-A628 HydrophobicContact CG-CB 4.32Å; L624-A628 PolarHBondContact O-N 2.93Å; K625-A628 PolarHBondContact O-N 3.29Å; A628-C630 PolarHBondContact O-N 2.8Å; A628-Q631 PolarHBondContact O-N 2.79Å; A628-I632 WeakPolarHBondContact O-CB 3.35Å; A628-I632 WeakPolarHBondContact O-CD1 3.38Å; A628-I632 VanDerWaalsContact O-CG1 3.25Å; A628-I632 WeakPolarHBondContact O-CG1 3.48Å; A628-I632 PolarHBondContact O-N 3.25Å; A628-I653 HydrophobicContact CB-CG2 4.22Å; A628-T655 HydrophobicContact CB-CG2 4.36Å; A628-L691 HydrophobicContact CB-CD1 3.53Å
629	L	95.1	Very high	93.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.9	-68.6	172.6	0	0	0	111.5	L254 L256 L269 H585 P586 I587 K625 Q626 I632 M633	L254-L629 HydrophobicContact CB-CD2 4.42Å; L256-L629 HydrophobicContact CD2-CD2 3.72Å; L269-L629 HydrophobicContact CB-CD2 3.94Å; L269-L629 HydrophobicContact CD1-CD2 4.21Å; L269-L629 HydrophobicContact CD2-CD2 3.84Å; L269-L629 HydrophobicContact CG-CD2 4.19Å; H585-L629 WeakPolarHBondContact NE2-CD1 3.3Å; P586-L629 HydrophobicContact CG-CB 4.03Å; P586-L629 HydrophobicContact CG-CD1 4.17Å; I587-L629 HydrophobicContact CD1-CD1 3.84Å; I587-L629 HydrophobicContact CD1-CD2 4.42Å; I587-L629 HydrophobicContact CG1-CD1 4.11Å; K625-L629 HydrophobicContact CB-CD1 4.45Å; K625-L629 WeakPolarHBondContact O-CB 3.28Å; K625-L629 WeakPolarHBondContact O-CG 3.41Å; K625-L629 PolarHBondContact O-N 3.41Å; Q626-L629 PolarHBondContact O-N 3.44Å; L629-I632 PolarHBondContact O-N 3.47Å; L629-M633 WeakPolarHBondContact O-CB 3.5Å; L629-M633 VanDerWaalsContact O-CG 3.24Å; L629-M633 WeakPolarHBondContact O-CG 3.3Å; L629-M633 PolarHBondContact O-N 3.4Å
630	C	95.5	Very high	93.9	Very high	1 Å²	1	8 Å²	8	1%	0.007	5%	0.045	C	C	.	.	H	α-helix	trans	-67.2	-40.4	175.7	-63.5	0	0	0	0	112.3	I580 Q626 I627 A628 I632 M633 A634 V640 F647	I580-C630 HydrophobicContact CD1-CB 4.33Å; Q626-C630 WeakPolarHBondContact O-CB 3.33Å; Q626-C630 PolarHBondContact O-N 3.14Å; Q626-C630 PolarHBondContact O-SG 2.98Å; I627-C630 PolarHBondContact O-N 2.87Å; A628-C630 PolarHBondContact O-N 2.8Å; C630-I632 PolarHBondContact O-N 2.97Å; C630-M633 PolarHBondContact O-N 3.4Å; C630-A634 PolarHBondContact O-N 2.89Å; C630-V640 WeakPolarHBondContact O-CG1 3.48Å; C630-F647 HydrophobicContact CB-CE1 4.03Å; C630-F647 HydrophobicContact CB-CZ 3.77Å
631	Q	95.5	Very high	94.2	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.009	4%	0.043	C	C	.	.	H	α-helix	trans	-58.7	-45.7	173.8	-177.4	77.9	44.5	0	0	111.5	I627 A628 A634 Q635 F647 R648 A650 I653 L689	I627-Q631 WeakPolarHBondContact O-CB 3.42Å; I627-Q631 PolarHBondContact O-N 3.09Å; A628-Q631 PolarHBondContact O-N 2.79Å; Q631-A634 PolarHBondContact O-N 3.13Å; Q631-Q635 PolarHBondContact O-N 2.87Å; Q631-F647 HydrophobicContact CB-CD1 4.4Å; Q631-R648 PolarHBondContact NE2-O 3.09Å; Q631-A650 HydrophobicContact CG-CB 4.18Å; Q631-I653 HydrophobicContact CB-CD1 4.5Å; Q631-I653 HydrophobicContact CG-CD1 3.85Å; Q631-L689 HydrophobicContact CB-CD2 3.97Å; Q631-L689 HydrophobicContact CG-CD2 3.79Å
632	I	94.6	Very high	94.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.6	-47.2	176.8	-69.7	165.6	0	0	0	110.3	I246 L254 L256 L269 P292 A628 L629 C630 A634 Q635 I636 I653	I246-I632 HydrophobicContact CD1-CD1 3.74Å; I246-I632 HydrophobicContact CD1-CG1 4.04Å; L254-I632 HydrophobicContact CD1-CD1 3.86Å; L256-I632 HydrophobicContact CD1-CD1 4.12Å; L256-I632 HydrophobicContact CD2-CD1 3.75Å; L269-I632 HydrophobicContact CD2-CB 4.43Å; L269-I632 HydrophobicContact CD2-CG2 3.79Å; P292-I632 HydrophobicContact CG-CG1 4.41Å; P292-I632 HydrophobicContact CG-CG2 4.19Å; A628-I632 WeakPolarHBondContact O-CB 3.35Å; A628-I632 WeakPolarHBondContact O-CD1 3.38Å; A628-I632 VanDerWaalsContact O-CG1 3.25Å; A628-I632 WeakPolarHBondContact O-CG1 3.48Å; A628-I632 PolarHBondContact O-N 3.25Å; L629-I632 PolarHBondContact O-N 3.47Å; C630-I632 PolarHBondContact O-N 2.97Å; I632-A634 VanDerWaalsContact C-N 3.3Å; I632-A634 PolarHBondContact O-N 3.35Å; I632-Q635 PolarHBondContact O-N 3.16Å; I632-Q635 VanDerWaalsContact O-N 3.17Å; I632-I636 HydrophobicContact CG2-CG2 4.49Å; I632-I636 WeakPolarHBondContact O-CG1 3.36Å; I632-I636 WeakPolarHBondContact O-CG2 3.29Å; I632-I636 PolarHBondContact O-N 3.4Å; I632-I653 HydrophobicContact CD1-CD1 4.38Å; I632-I653 HydrophobicContact CG1-CD1 3.68Å
633	M	95.9	Very high	94.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.8	-40.4	177.4	-76.2	174	62.9	0	0	112.4	L269 L273 Y569 P586 L629 C630 I636 S638 Y639 V640	L269-M633 HydrophobicContact CD1-CG 3.88Å; L269-M633 HydrophobicContact CD1-SD 3.7Å; L269-M633 HydrophobicContact CD2-CG 4.45Å; L273-M633 HydrophobicContact CD1-CG 4.21Å; L273-M633 HydrophobicContact CD2-CE 4.05Å; Y569-M633 HydrophobicContact CD2-CE 4.14Å; Y569-M633 HydrophobicContact CE2-CE 3.78Å; P586-M633 HydrophobicContact CB-SD 4.07Å; P586-M633 HydrophobicContact CG-SD 3.84Å; L629-M633 WeakPolarHBondContact O-CB 3.5Å; L629-M633 VanDerWaalsContact O-CG 3.24Å; L629-M633 WeakPolarHBondContact O-CG 3.3Å; L629-M633 PolarHBondContact O-N 3.4Å; C630-M633 PolarHBondContact O-N 3.4Å; M633-I636 VanDerWaalsContact O-CG1 3.23Å; M633-I636 WeakPolarHBondContact O-CG1 3.32Å; M633-S638 WeakPolarHBondContact O-CA 3.23Å; M633-S638 VanDerWaalsContact O-CB 3.27Å; M633-S638 WeakPolarHBondContact O-CB 3.43Å; M633-S638 PolarHBondContact O-N 3.39Å; M633-Y639 WeakPolarHBondContact CE-O 3.25Å; M633-V640 HydrophobicContact CB-CG1 3.89Å
634	A	95.6	Very high	94.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.6	-50.5	172.9	0	0	0	0	0	111.9	I299 P572 F574 C630 Q631 I632 I636 G637 V640 F647	I299-A634 WeakPolarHBondContact CG2-O 3.45Å; P572-A634 HydrophobicContact CB-CB 3.9Å; P572-A634 HydrophobicContact CG-CB 3.84Å; F574-A634 HydrophobicContact CE1-CB 4.37Å; F574-A634 HydrophobicContact CZ-CB 3.91Å; C630-A634 PolarHBondContact O-N 2.89Å; Q631-A634 PolarHBondContact O-N 3.13Å; I632-A634 VanDerWaalsContact C-N 3.3Å; I632-A634 PolarHBondContact O-N 3.35Å; A634-I636 VanDerWaalsContact C-N 3.26Å; A634-I636 PolarHBondContact O-N 3.14Å; A634-G637 PolarHBondContact O-N 3.19Å; A634-V640 HydrophobicContact CB-CG1 4.19Å; A634-F647 HydrophobicContact CB-CD2 3.52Å; A634-F647 HydrophobicContact CB-CE2 3.75Å; A634-F647 HydrophobicContact CB-CG 4.13Å
635	Q	94.6	Very high	94.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-71.3	-10.8	-176.7	-77.6	-177	-113.7	0	0	115.3	P292 L293 I299 F574 Q631 I632 A650	P292-Q635 HydrophobicContact CB-CB 3.61Å; L293-Q635 WeakPolarHBondContact CB-O 3.35Å; L293-Q635 PolarHBondContact N-O 3.04Å; L293-Q635 PolarHBondContact O-NE2 3.22Å; I299-Q635 HydrophobicContact CD1-CB 4.47Å; I299-Q635 HydrophobicContact CD1-CG 4.33Å; F574-Q635 HydrophobicContact CE1-CG 4.21Å; Q631-Q635 PolarHBondContact O-N 2.87Å; I632-Q635 PolarHBondContact O-N 3.16Å; I632-Q635 VanDerWaalsContact O-N 3.17Å; Q635-A650 PolarHBondContact NE2-O 2.91Å; Q635-A650 PolarHBondContact OE1-O 2.94Å
636	I	93.2	Very high	95	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-7	166.7	65.6	-177.6	0	0	0	113.4	L273 N288 I289 P292 R302 F560 I632 M633 A634	L273-I636 HydrophobicContact CD1-CD1 3.69Å; N288-I636 HydrophobicContact CB-CB 4.45Å; N288-I636 HydrophobicContact CB-CG2 4.15Å; N288-I636 WeakPolarHBondContact O-CG2 3.4Å; I289-I636 HydrophobicContact CG1-CD1 4.09Å; P292-I636 HydrophobicContact CB-CG2 4.18Å; P292-I636 HydrophobicContact CG-CG2 4.47Å; R302-I636 VanDerWaalsContact CD-O 3.31Å; R302-I636 WeakPolarHBondContact CD-O 3.49Å; R302-I636 PolarHBondContact NH1-O 3.08Å; F560-I636 HydrophobicContact CE1-CD1 3.87Å; F560-I636 HydrophobicContact CE1-CG1 4.41Å; F560-I636 HydrophobicContact CE2-CG1 4.39Å; F560-I636 HydrophobicContact CZ-CB 4.28Å; F560-I636 HydrophobicContact CZ-CD1 3.67Å; F560-I636 HydrophobicContact CZ-CG1 3.79Å; I632-I636 HydrophobicContact CG2-CG2 4.49Å; I632-I636 WeakPolarHBondContact O-CG1 3.36Å; I632-I636 WeakPolarHBondContact O-CG2 3.29Å; I632-I636 PolarHBondContact O-N 3.4Å; M633-I636 VanDerWaalsContact O-CG1 3.23Å; M633-I636 WeakPolarHBondContact O-CG1 3.32Å; A634-I636 VanDerWaalsContact C-N 3.26Å; A634-I636 PolarHBondContact O-N 3.14Å
637	G	93.6	Very high	95	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	32.1	-174.1	0	0	0	0	0	113.9	F560 A634	F560-G637 WeakPolarHBondContact CD2-O 3.4Å; A634-G637 PolarHBondContact O-N 3.19Å
638	S	95.8	Very high	95	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	5%	0.054	C	C	.	.			trans	-99	159.5	168	-160.5	0	0	0	0	110.4	F560 M633	F560-S638 WeakPolarHBondContact CD1-OG 3.46Å; M633-S638 WeakPolarHBondContact O-CA 3.23Å; M633-S638 VanDerWaalsContact O-CB 3.27Å; M633-S638 WeakPolarHBondContact O-CB 3.43Å; M633-S638 PolarHBondContact O-N 3.39Å
639	Y	96.4	Very high	94.9	Very high	19 Å²	19	15.2 Å²	15.2	8%	0.075	7%	0.067	C	C	.	.			trans	-76	164.7	166.9	-71.6	16.9	0	0	0	109.7	L303 V306 Q307 L310 V570 R571 M633	L303-Y639 HydrophobicContact CD2-CD1 3.76Å; L303-Y639 HydrophobicContact CD2-CE1 4Å; V306-Y639 HydrophobicContact CB-CE1 4.16Å; V306-Y639 HydrophobicContact CG1-CD1 3.93Å; V306-Y639 HydrophobicContact CG1-CE1 3.76Å; V306-Y639 HydrophobicContact CG1-CG 4.49Å; Q307-Y639 WeakPolarHBondContact CA-OH 3.42Å; Q307-Y639 VanDerWaalsContact CB-OH 3.24Å; Q307-Y639 WeakPolarHBondContact CB-OH 3.4Å; L310-Y639 HydrophobicContact CD1-CD2 4.18Å; L310-Y639 HydrophobicContact CD1-CE2 3.69Å; V570-Y639 WeakPolarHBondContact O-CA 3.19Å; V570-Y639 WeakPolarHBondContact O-CB 3.36Å; R571-Y639 HydrophobicContact CB-CD1 4.15Å; R571-Y639 HydrophobicContact CB-CD2 4.4Å; R571-Y639 HydrophobicContact CB-CE1 3.75Å; R571-Y639 HydrophobicContact CB-CE2 4.02Å; R571-Y639 HydrophobicContact CB-CG 4.46Å; R571-Y639 HydrophobicContact CG-CD1 4.45Å; R571-Y639 HydrophobicContact CG-CE1 3.9Å; M633-Y639 WeakPolarHBondContact CE-O 3.25Å
640	V	96.5	Very high	94.7	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-123	149.8	-172.5	-61.5	0	0	0	0	113.5	Y569 V570 P572 C630 M633 A634 A642 A645 F647	Y569-V640 CarbonylContact C-O 3.58Å; Y569-V640 WeakPolarHBondContact CA-O 3.41Å; V570-V640 PolarHBondContact N-O 2.97Å; V570-V640 PolarHBondContact O-N 2.9Å; P572-V640 HydrophobicContact CB-CG1 4.49Å; P572-V640 HydrophobicContact CB-CG2 4.32Å; P572-V640 HydrophobicContact CG-CG1 4.46Å; C630-V640 WeakPolarHBondContact O-CG1 3.48Å; M633-V640 HydrophobicContact CB-CG1 3.89Å; A634-V640 HydrophobicContact CB-CG1 4.19Å; V640-A642 HydrophobicContact CG2-CB 4.48Å; V640-A642 PolarHBondContact O-N 3.24Å; V640-A645 HydrophobicContact CG2-CB 3.41Å; V640-A645 VanDerWaalsContact CG2-CB 3.41Å; V640-F647 HydrophobicContact CG1-CE2 4.12Å; V640-F647 HydrophobicContact CG1-CZ 4.36Å; V640-F647 HydrophobicContact CG2-CE2 4.1Å; V640-F647 HydrophobicContact CG2-CZ 4.42Å
641	P	94.9	Very high	94.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-72.7	84.7	176.3	29.8	-36.9	0	0	0	111.8	Y569 G583 W584 P586	Y569-P641 HydrophobicContact CD1-CB 3.95Å; Y569-P641 HydrophobicContact CE1-CB 3.72Å; Y569-P641 HydrophobicContact CE1-CG 4.5Å; G583-P641 CarbonylContact C-O 3.59Å; G583-P641 WeakPolarHBondContact CA-O 3.48Å; W584-P641 HydrophobicContact CD2-CB 3.87Å; W584-P641 VanDerWaalsContact CE2-CB 3.44Å; W584-P641 HydrophobicContact CG-CB 4.1Å; W584-P641 HydrophobicContact CZ2-CB 3.84Å; W584-P641 PolarHBondContact N-O 3.36Å; W584-P641 VanDerWaalsContact O-CG 3.27Å; W584-P641 WeakPolarHBondContact O-CG 3.37Å; P586-P641 HydrophobicContact CB-CG 4.08Å; P586-P641 HydrophobicContact CG-CG 4.22Å
642	A	94.9	Very high	93.8	Very high	2 Å²	2	17.6 Å²	17.6	2%	0.017	8%	0.083	C	C	.	.	S	Bend	trans	-160.1	163	177.3	0	0	0	0	0	111.9	V570 I580 V640 A645	V570-A642 WeakPolarHBondContact CB-O 3.19Å; V570-A642 WeakPolarHBondContact CG2-O 3.33Å; I580-A642 HydrophobicContact CG2-CB 3.76Å; V640-A642 HydrophobicContact CG2-CB 4.48Å; V640-A642 PolarHBondContact O-N 3.24Å; A642-A645 HydrophobicContact CB-CB 4.19Å
643	E	93.7	Very high	93.6	Very high	109 Å²	109	17.6 Å²	17.6	51%	0.509	8%	0.083	S	C	.	.	S	Bend	trans	-76	-30.8	169.6	-165.9	-158.5	157.4	0	0	111.8	K581 Q582	K581-E643 HydrophobicContact CD-CB 4.47Å; K581-E643 VanDerWaalsContact CD-OE2 3.26Å; K581-E643 WeakPolarHBondContact CD-OE2 3.33Å; K581-E643 WeakPolarHBondContact CE-OE2 3.48Å; K581-E643 IonicContact NZ-OE1 3.65Å; K581-E643 PolarHBondContact NZ-OE1 2.95Å; K581-E643 IonicContact NZ-OE2 3.31Å; K581-E643 PolarHBondContact NZ-OE2 3.47Å; K581-E643 WeakPolarHBondContact O-CB 3.47Å; K581-E643 PolarHBondContact O-N 2.97Å; Q582-E643 HydrophobicContact CB-CB 4.03Å
644	Y	95	Very high	93.2	Very high	93 Å²	93	17.6 Å²	17.6	37%	0.365	8%	0.083	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	143.9	171.1	162.8	-86	0	0	0	108.4	A579 K581	A579-Y644 HydrophobicContact CB-CE1 4.44Å; K581-Y644 HydrophobicContact CB-CD1 4.36Å; K581-Y644 PolarHBondContact N-O 3.18Å; K581-Y644 PolarHBondContact O-N 3.07Å
645	A	95.6	Very high	92.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	132.5	176.2	0	0	0	0	0	112.8	P572 E573 A579 V640 A642 F647	P572-A645 WeakPolarHBondContact CA-O 3.42Å; E573-A645 PolarHBondContact N-O 2.92Å; A579-A645 CarbonylContact O-C 3.54Å; A579-A645 WeakPolarHBondContact O-CA 3.47Å; V640-A645 HydrophobicContact CG2-CB 3.41Å; V640-A645 VanDerWaalsContact CG2-CB 3.41Å; A642-A645 HydrophobicContact CB-CB 4.19Å; A645-F647 HydrophobicContact CB-CE2 3.6Å; A645-F647 HydrophobicContact CB-CZ 3.97Å
646	S	95.1	Very high	92.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143	165.5	166.3	0	0	0	0	109.4	E573 T575 T577 L578 A579	E573-S646 CarbonylContact O-C 3.41Å; E573-S646 VanDerWaalsContact O-CA 3.27Å; E573-S646 WeakPolarHBondContact O-CA 3.44Å; T575-S646 WeakPolarHBondContact CG2-OG 3.45Å; T575-S646 PolarHBondContact OG1-OG 2.87Å; T577-S646 CarbonylContact O-C 3.57Å; T577-S646 PolarHBondContact O-OG 2.83Å; L578-S646 CarbonylContact C-O 3.59Å; L578-S646 WeakPolarHBondContact CA-O 3.46Å; A579-S646 PolarHBondContact N-O 2.9Å; A579-S646 PolarHBondContact O-N 3.37Å
647	F	95.1	Very high	91.8	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.1	178.7	-60.3	-85.7	0	0	0	112.3	P572 E573 F574 T575 T577 L578 I580 C630 Q631 A634 V640 A645	P572-F647 HydrophobicContact CB-CD2 3.85Å; P572-F647 HydrophobicContact CB-CE2 3.83Å; E573-F647 PolarHBondContact O-N 3.25Å; F574-F647 WeakPolarHBondContact CA-O 3.32Å; F574-F647 HydrophobicContact CD1-CB 4.48Å; F574-F647 HydrophobicContact CE1-CB 4.36Å; T575-F647 PolarHBondContact N-O 3.49Å; T577-F647 CarbonylContact O-C 3.57Å; T577-F647 VanDerWaalsContact O-C 3.3Å; T577-F647 WeakPolarHBondContact O-CA 3.38Å; L578-F647 HydrophobicContact CD1-CD1 4.42Å; L578-F647 HydrophobicContact CG-CD1 4.1Å; I580-F647 HydrophobicContact CD1-CE1 3.84Å; I580-F647 HydrophobicContact CD1-CZ 4.14Å; I580-F647 HydrophobicContact CG1-CE1 4.04Å; I580-F647 HydrophobicContact CG1-CZ 4.14Å; C630-F647 HydrophobicContact CB-CE1 4.03Å; C630-F647 HydrophobicContact CB-CZ 3.77Å; Q631-F647 HydrophobicContact CB-CD1 4.4Å; A634-F647 HydrophobicContact CB-CD2 3.52Å; A634-F647 HydrophobicContact CB-CE2 3.75Å; A634-F647 HydrophobicContact CB-CG 4.13Å; V640-F647 HydrophobicContact CG1-CE2 4.12Å; V640-F647 HydrophobicContact CG1-CZ 4.36Å; V640-F647 HydrophobicContact CG2-CE2 4.1Å; V640-F647 HydrophobicContact CG2-CZ 4.42Å; A645-F647 HydrophobicContact CB-CE2 3.6Å; A645-F647 HydrophobicContact CB-CZ 3.97Å
648	R	93.1	Very high	90.3	Very high	40 Å²	40	22.5 Å²	22.5	15%	0.151	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-83.5	136.5	160.7	-168.5	178.7	69.5	131	7.3	108.6	T575 T577 Q631 A650 D686 F721	T575-R648 WeakPolarHBondContact O-CA 3.4Å; T577-R648 PolarHBondContact O-N 3.26Å; Q631-R648 PolarHBondContact NE2-O 3.09Å; R648-A650 PolarHBondContact O-N 2.9Å; R648-D686 PolarHBondContact NH1-O 3.23Å; R648-D686 PolarHBondContact NH2-O 2.89Å; R648-F721 HydrophobicContact CB-CD2 4.41Å; R648-F721 HydrophobicContact CB-CE2 3.71Å; R648-F721 HydrophobicContact CB-CZ 4.27Å; R648-F721 HydrophobicContact CG-CE2 4.4Å; R648-F721 VanDerWaalsContact NE-CZ 3.29Å
649	I	92.4	Very high	88.3	Confident	52 Å²	52	25.4 Å²	25.4	27%	0.267	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-59.6	120.5	179.4	-44.4	162	0	0	0	109.1	V294 V296 F574	V294-I649 HydrophobicContact CB-CG2 4.44Å; V294-I649 HydrophobicContact CG1-CG2 3.98Å; V296-I649 HydrophobicContact CG2-CD1 3.32Å; V296-I649 HydrophobicContact CG2-CG1 3.93Å; F574-I649 HydrophobicContact CD1-CG1 4.35Å
650	A	91.1	Very high	86.2	Confident	4 Å²	4	32.1 Å²	32.1	3%	0.033	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-90.9	120.2	172.1	0	0	0	0	0	109.2	A244 Q631 Q635 R648 Q652 I653 K687 L689	A244-A650 VanDerWaalsContact CB-O 3.31Å; A244-A650 WeakPolarHBondContact CB-O 3.46Å; Q631-A650 HydrophobicContact CG-CB 4.18Å; Q635-A650 PolarHBondContact NE2-O 2.91Å; Q635-A650 PolarHBondContact OE1-O 2.94Å; R648-A650 PolarHBondContact O-N 2.9Å; A650-Q652 VanDerWaalsContact C-N 3.3Å; A650-I653 HydrophobicContact CB-CD1 4.34Å; A650-I653 HydrophobicContact CB-CG1 3.82Å; A650-K687 WeakPolarHBondContact CA-O 3.11Å; A650-L689 HydrophobicContact CB-CB 4.06Å
651	A	86.4	Confident	83.9	Confident	26 Å²	26	37.4 Å²	37.4	22%	0.215	20%	0.195	C	C	.	.	S	Bend	trans	-78.6	-21.4	171.9	0	0	0	0	0	111.7	A244 M245 K687	A244-A651 WeakPolarHBondContact CA-O 3.49Å; M245-A651 PolarHBondContact N-O 2.73Å; A651-K687 HydrophobicContact CB-CB 3.89Å; A651-K687 PolarHBondContact N-O 3.34Å
652	Q	86.3	Confident	81.5	Confident	23 Å²	23	41.5 Å²	41.5	11%	0.107	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	140.8	178.2	-58.4	166.8	-46.9	0	0	108.8	M245 A650 F654 N683 N685 S688 L689	M245-Q652 HydrophobicContact CB-CG 4.14Å; M245-Q652 CarbonylContact O-C 3.54Å; M245-Q652 WeakPolarHBondContact O-CA 3.37Å; A650-Q652 VanDerWaalsContact C-N 3.3Å; Q652-F654 HydrophobicContact CB-CD2 4.18Å; Q652-F654 HydrophobicContact CB-CE2 3.57Å; Q652-F654 HydrophobicContact CB-CZ 3.94Å; Q652-F654 HydrophobicContact CG-CE2 4.22Å; Q652-F654 HydrophobicContact CG-CZ 4.27Å; Q652-N683 PolarHBondContact NE2-O 3.3Å; Q652-N683 PolarHBondContact OE1-O 2.94Å; Q652-N683 VanDerWaalsContact OE1-O 3.09Å; Q652-N685 PolarHBondContact OE1-ND2 3.12Å; Q652-S688 WeakPolarHBondContact O-CA 3.24Å; Q652-S688 PolarHBondContact OE1-OG 2.88Å; Q652-L689 PolarHBondContact O-N 3.09Å
653	I	90	Very high	79.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.6	175.3	-55.8	177.1	0	0	0	107.9	M245 I246 A628 Q631 I632 A650 T655 L689	M245-I653 PolarHBondContact O-N 2.98Å; I246-I653 HydrophobicContact CG1-CB 4.44Å; A628-I653 HydrophobicContact CB-CG2 4.22Å; Q631-I653 HydrophobicContact CB-CD1 4.5Å; Q631-I653 HydrophobicContact CG-CD1 3.85Å; I632-I653 HydrophobicContact CD1-CD1 4.38Å; I632-I653 HydrophobicContact CG1-CD1 3.68Å; A650-I653 HydrophobicContact CB-CD1 4.34Å; A650-I653 HydrophobicContact CB-CG1 3.82Å; I653-T655 HydrophobicContact CG2-CG2 4.12Å; I653-L689 WeakPolarHBondContact CA-O 3.36Å; I653-L689 HydrophobicContact CG1-CB 4.49Å; I653-L689 HydrophobicContact CG2-CD2 4.42Å
654	F	88.1	Confident	77.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.5	180	-63.6	-69.4	0	0	0	110.3	Q652 Y679 I680 N683 A684 L689 I690 L691	Q652-F654 HydrophobicContact CB-CD2 4.18Å; Q652-F654 HydrophobicContact CB-CE2 3.57Å; Q652-F654 HydrophobicContact CB-CZ 3.94Å; Q652-F654 HydrophobicContact CG-CE2 4.22Å; Q652-F654 HydrophobicContact CG-CZ 4.27Å; F654-Y679 HydrophobicContact CD1-CE1 4.1Å; F654-Y679 AromaticContact CE1-CE1 3.79Å; F654-Y679 HydrophobicContact CE1-CE1 3.79Å; F654-I680 HydrophobicContact CB-CD1 4.02Å; F654-I680 HydrophobicContact CB-CG1 3.88Å; F654-I680 HydrophobicContact CB-CG2 4.11Å; F654-I680 HydrophobicContact CD1-CG1 4.04Å; F654-I680 HydrophobicContact CD2-CG2 4.26Å; F654-I680 HydrophobicContact CG-CG1 4.07Å; F654-I680 HydrophobicContact CG-CG2 4.14Å; F654-N683 HydrophobicContact CE1-CB 4.39Å; F654-N683 HydrophobicContact CZ-CB 3.85Å; F654-A684 HydrophobicContact CE2-CB 4.15Å; F654-L689 PolarHBondContact N-O 3.28Å; F654-I690 HydrophobicContact CD2-CG1 4.23Å; F654-I690 CarbonylContact O-C 3.3Å; F654-I690 WeakPolarHBondContact O-CA 3.46Å; F654-L691 PolarHBondContact O-N 2.68Å
655	T	87.8	Confident	75.2	Confident	4 Å²	4	50 Å²	50	3%	0.025	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	112.6	-178.6	74.8	0	0	0	0	111.5	S250 N253 L254 A628 I653 L691	S250-T655 VanDerWaalsContact CA-OG1 3.24Å; S250-T655 WeakPolarHBondContact CA-OG1 3.31Å; S250-T655 WeakPolarHBondContact CB-OG1 3.45Å; S250-T655 PolarHBondContact OG-N 3.06Å; S250-T655 PolarHBondContact OG-OG1 3.33Å; N253-T655 PolarHBondContact ND2-O 3.05Å; L254-T655 HydrophobicContact CD1-CG2 3.94Å; L254-T655 HydrophobicContact CD2-CG2 4.16Å; L254-T655 HydrophobicContact CG-CG2 4.13Å; A628-T655 HydrophobicContact CB-CG2 4.36Å; I653-T655 HydrophobicContact CG2-CG2 4.12Å; T655-L691 CarbonylContact C-O 3.54Å; T655-L691 WeakPolarHBondContact CA-O 3.31Å; T655-L691 HydrophobicContact CG2-CB 4.07Å; T655-L691 HydrophobicContact CG2-CD1 3.74Å; T655-L691 HydrophobicContact CG2-CG 3.98Å
656	R	86.1	Confident	73.1	Confident	30 Å²	30	58.7 Å²	58.7	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	82.2	170.9	-180	45	-177.5	76.3	-14.4	109.3	S658 E676 I677 I680 L691 D693	R656-S658 PolarHBondContact NH1-OG 2.85Å; R656-E676 WeakPolarHBondContact CD-OE2 3.45Å; R656-E676 IonicContact CZ-OE2 3.2Å; R656-E676 IonicContact NE-OE2 2.74Å; R656-E676 PolarHBondContact NE-OE2 2.77Å; R656-E676 IonicContact NH2-OE2 3.97Å; R656-I677 HydrophobicContact CB-CD1 4.35Å; R656-I677 HydrophobicContact CG-CD1 4.2Å; R656-I680 HydrophobicContact CB-CD1 4.18Å; R656-L691 PolarHBondContact N-O 3.38Å; R656-D693 PolarHBondContact O-N 3.48Å
657	I	79.3	Confident	71.2	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.041	33%	0.33	C	S	.	.			trans	-103.9	130.5	175.5	-56.4	177.2	0	0	0	107.8	N253 L254 L624 K625 T659 D693	N253-I657 HydrophobicContact CB-CB 4.31Å; L254-I657 HydrophobicContact CD2-CD1 4.48Å; L624-I657 HydrophobicContact CB-CD1 4.42Å; K625-I657 HydrophobicContact CG-CD1 3.63Å; I657-T659 PolarHBondContact O-N 3.15Å; I657-D693 HydrophobicContact CG1-CB 4.48Å; I657-D693 HydrophobicContact CG2-CB 4.48Å
658	S	63.5	Low	69.8	Low	60 Å²	60	64.6 Å²	64.6	42%	0.42	36%	0.355	S	S	.	.			trans	-73.8	109.8	-177.6	-64.8	0	0	0	0	111.3	R656	R656-S658 PolarHBondContact NH1-OG 2.85Å
659	T	53.9	Low	68.8	Low	62 Å²	62	65.9 Å²	65.9	38%	0.38	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-94.6	154.3	159.9	58.9	0	0	0	0	109.8	I657	I657-T659 PolarHBondContact O-N 3.15Å
660	D	52.1	Low	68.1	Low	159 Å²	159	65.3 Å²	65.3	85%	0.85	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-61.3	162	-176.5	-65	-60	0	0	0	114.2	D662	D660-D662 PolarHBondContact O-N 2.68Å
661	D	47.5	Very low	67.3	Low	112 Å²	112	69.8 Å²	69.8	60%	0.599	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-65.5	123.7	-160.8	-63.8	-29.7	0	0	0	115.6	I663 T669	D661-I663 VanDerWaalsContact C-N 3.29Å; D661-I663 PolarHBondContact O-N 3.5Å; D661-T669 HydrophobicContact CB-CG2 4.31Å; D661-T669 WeakPolarHBondContact OD1-CG2 3.4Å
662	D	45.2	Very low	66.5	Low	86 Å²	86	71.5 Å²	71.5	46%	0.46	39%	0.387	S	S	.	.			trans	-68.9	80	165.3	-78.4	-55.9	0	0	0	111.2	D660 E664 T665 K672	D660-D662 PolarHBondContact O-N 2.68Å; D662-E664 PolarHBondContact O-N 3.35Å; D662-T665 HydrophobicContact CB-CG2 3.95Å; D662-T665 PolarHBondContact O-N 2.61Å; D662-T665 PolarHBondContact O-OG1 2.93Å; D662-K672 IonicContact OD2-NZ 3.77Å; D662-K672 PolarHBondContact OD2-NZ 2.89Å
663	I	53	Low	66.2	Low	163 Å²	163	70.8 Å²	70.8	84%	0.836	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-25	176.2	-64.2	171.7	0	0	0	112.2	D661 T665	D661-I663 VanDerWaalsContact C-N 3.29Å; D661-I663 PolarHBondContact O-N 3.5Å; I663-T665 VanDerWaalsContact C-N 3.3Å; I663-T665 PolarHBondContact O-N 2.85Å
664	E	47	Very low	65.8	Low	164 Å²	164	72.7 Å²	72.7	77%	0.766	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.4	174.9	-65.9	-160	168.6	0	0	114.8	K167 D662	K167-E664 IonicContact NZ-OE2 2.76Å; D662-E664 PolarHBondContact O-N 3.35Å
665	T	51.6	Low	65.1	Low	57 Å²	57	78.7 Å²	78.7	35%	0.35	42%	0.419	S	S	.	.	S	Bend	trans	-92.3	119.5	178.7	61.8	0	0	0	0	110.4	D662 I663 S667	D662-T665 HydrophobicContact CB-CG2 3.95Å; D662-T665 PolarHBondContact O-N 2.61Å; D662-T665 PolarHBondContact O-OG1 2.93Å; I663-T665 VanDerWaalsContact C-N 3.3Å; I663-T665 PolarHBondContact O-N 2.85Å; T665-S667 PolarHBondContact O-N 2.84Å
666	N	51.5	Low	64.5	Low	182 Å²	182	80 Å²	80	97%	0.973	43%	0.425	S	S	*	.	S	Bend	trans	-78.9	49.6	-175	-160.2	18	0	0	0	112.2
667	S	55	Low	64.5	Low	50 Å²	50	78.9 Å²	78.9	35%	0.35	42%	0.421	S	S	.	.	S	Bend	trans	-147.1	134.7	-173.5	50.9	0	0	0	0	110.4	T665	T665-S667 PolarHBondContact O-N 2.84Å
668	S	66.1	Low	64.3	Low	74 Å²	74	80.4 Å²	80.4	52%	0.517	44%	0.435	S	S	.	.			trans	-52.1	140.2	174.6	168.1	0	0	0	0	111.8	F670 M671 K672	S668-F670 VanDerWaalsContact C-N 3.31Å; S668-F670 PolarHBondContact O-N 2.81Å; S668-F670 PolarHBondContact OG-N 3.37Å; S668-M671 CarbonylContact O-C 3.5Å; S668-M671 WeakPolarHBondContact O-CA 3.3Å; S668-M671 WeakPolarHBondContact O-CB 3.45Å; S668-M671 PolarHBondContact O-N 3.15Å; S668-K672 PolarHBondContact O-N 3.14Å
669	T	70.9	Confident	64.7	Low	68 Å²	68	79.2 Å²	79.2	42%	0.417	42%	0.422	S	S	.	.	H	α-helix	trans	-54.9	-44.8	177.4	52.2	0	0	0	0	111.8	D661 M671 K672 E673	D661-T669 HydrophobicContact CB-CG2 4.31Å; D661-T669 WeakPolarHBondContact OD1-CG2 3.4Å; T669-M671 VanDerWaalsContact C-N 3.31Å; T669-M671 PolarHBondContact O-N 2.86Å; T669-K672 WeakPolarHBondContact O-CB 3.5Å; T669-K672 PolarHBondContact O-N 3.46Å; T669-K672 VanDerWaalsContact O-N 3.11Å; T669-E673 WeakPolarHBondContact O-CB 3.44Å; T669-E673 PolarHBondContact O-N 3.38Å
670	F	77.6	Confident	66	Low	40 Å²	40	76.6 Å²	76.6	18%	0.175	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-34.1	172.4	-176.9	-108.1	0	0	0	112.9	S668 E673 M674 T699 I707	S668-F670 VanDerWaalsContact C-N 3.31Å; S668-F670 PolarHBondContact O-N 2.81Å; S668-F670 PolarHBondContact OG-N 3.37Å; F670-E673 WeakPolarHBondContact CD2-OE2 3.22Å; F670-E673 PolarHBondContact O-N 2.6Å; F670-M674 HydrophobicContact CD1-CG 4.2Å; F670-M674 HydrophobicContact CD2-CE 4.23Å; F670-M674 HydrophobicContact CD2-CG 4.42Å; F670-M674 HydrophobicContact CE1-CG 3.85Å; F670-M674 HydrophobicContact CE1-SD 4.47Å; F670-M674 HydrophobicContact CE2-CE 3.67Å; F670-M674 HydrophobicContact CE2-CG 4.09Å; F670-M674 HydrophobicContact CE2-SD 4.07Å; F670-M674 HydrophobicContact CG-CG 4.47Å; F670-M674 HydrophobicContact CZ-CE 4.1Å; F670-M674 HydrophobicContact CZ-CG 3.79Å; F670-M674 HydrophobicContact CZ-SD 3.86Å; F670-M674 WeakPolarHBondContact O-CB 3.34Å; F670-M674 VanDerWaalsContact O-CG 3.25Å; F670-M674 WeakPolarHBondContact O-CG 3.41Å; F670-M674 PolarHBondContact O-N 2.83Å; F670-T699 HydrophobicContact CD2-CG2 4.25Å; F670-T699 HydrophobicContact CE1-CG2 4.47Å; F670-T699 HydrophobicContact CE2-CG2 3.52Å; F670-T699 HydrophobicContact CZ-CG2 3.66Å; F670-I707 HydrophobicContact CZ-CD1 3.86Å
671	M	74.1	Confident	67.5	Low	97 Å²	97	71.1 Å²	71.1	48%	0.478	38%	0.376	S	S	.	.	H	α-helix	trans	-74.9	-23.8	174.8	-178	58.5	61.1	0	0	112.9	S668 T669 K675	S668-M671 CarbonylContact O-C 3.5Å; S668-M671 WeakPolarHBondContact O-CA 3.3Å; S668-M671 WeakPolarHBondContact O-CB 3.45Å; S668-M671 PolarHBondContact O-N 3.15Å; T669-M671 VanDerWaalsContact C-N 3.31Å; T669-M671 PolarHBondContact O-N 2.86Å; M671-K675 VanDerWaalsContact O-CD 3.32Å; M671-K675 WeakPolarHBondContact O-CD 3.45Å; M671-K675 VanDerWaalsContact O-CG 3.23Å; M671-K675 WeakPolarHBondContact O-CG 3.48Å
672	K	71.1	Confident	68.7	Low	62 Å²	62	73.5 Å²	73.5	27%	0.27	38%	0.383	S	S	.	.	H	α-helix	trans	-71.6	-51.4	167.8	-174.1	-177.5	173.8	-171	0	109.4	D662 S668 T669 M674 K675 E676	D662-K672 IonicContact OD2-NZ 3.77Å; D662-K672 PolarHBondContact OD2-NZ 2.89Å; S668-K672 PolarHBondContact O-N 3.14Å; T669-K672 WeakPolarHBondContact O-CB 3.5Å; T669-K672 PolarHBondContact O-N 3.46Å; T669-K672 VanDerWaalsContact O-N 3.11Å; K672-M674 PolarHBondContact O-N 2.58Å; K672-K675 WeakPolarHBondContact O-CB 3.2Å; K672-K675 PolarHBondContact O-N 3.05Å; K672-K675 VanDerWaalsContact O-N 3.09Å; K672-E676 VanDerWaalsContact CE-OE1 3.22Å; K672-E676 WeakPolarHBondContact CE-OE1 3.42Å; K672-E676 WeakPolarHBondContact CG-OE1 3.49Å; K672-E676 WeakPolarHBondContact O-CG 3.32Å; K672-E676 PolarHBondContact O-N 3.01Å
673	E	79.3	Confident	70	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.037	37%	0.37	C	S	.	.	H	α-helix	trans	-52.9	-49.8	176.1	-176.8	-176	-168.5	0	0	113.3	T669 F670 K675 E676 I677 L695 G696	T669-E673 WeakPolarHBondContact O-CB 3.44Å; T669-E673 PolarHBondContact O-N 3.38Å; F670-E673 WeakPolarHBondContact CD2-OE2 3.22Å; F670-E673 PolarHBondContact O-N 2.6Å; E673-K675 VanDerWaalsContact C-N 3.32Å; E673-K675 PolarHBondContact O-N 3.29Å; E673-E676 WeakPolarHBondContact CA-OE2 3.37Å; E673-E676 PolarHBondContact O-N 2.92Å; E673-I677 WeakPolarHBondContact O-CG1 3.29Å; E673-I677 PolarHBondContact O-N 2.95Å; E673-L695 HydrophobicContact CG-CD1 3.98Å; E673-L695 WeakPolarHBondContact OE1-CA 3.39Å; E673-L695 WeakPolarHBondContact OE1-CD1 3.46Å; E673-G696 PolarHBondContact OE1-N 2.86Å
674	M	82.1	Confident	71.3	Confident	41 Å²	41	64.2 Å²	64.2	20%	0.202	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-31.4	178.3	-69.1	-60	100.2	0	0	113.2	F670 K672 A678 L695 I707	F670-M674 HydrophobicContact CD1-CG 4.2Å; F670-M674 HydrophobicContact CD2-CE 4.23Å; F670-M674 HydrophobicContact CD2-CG 4.42Å; F670-M674 HydrophobicContact CE1-CG 3.85Å; F670-M674 HydrophobicContact CE1-SD 4.47Å; F670-M674 HydrophobicContact CE2-CE 3.67Å; F670-M674 HydrophobicContact CE2-CG 4.09Å; F670-M674 HydrophobicContact CE2-SD 4.07Å; F670-M674 HydrophobicContact CG-CG 4.47Å; F670-M674 HydrophobicContact CZ-CE 4.1Å; F670-M674 HydrophobicContact CZ-CG 3.79Å; F670-M674 HydrophobicContact CZ-SD 3.86Å; F670-M674 WeakPolarHBondContact O-CB 3.34Å; F670-M674 VanDerWaalsContact O-CG 3.25Å; F670-M674 WeakPolarHBondContact O-CG 3.41Å; F670-M674 PolarHBondContact O-N 2.83Å; K672-M674 PolarHBondContact O-N 2.58Å; M674-A678 VanDerWaalsContact O-CB 3.24Å; M674-A678 WeakPolarHBondContact O-CB 3.33Å; M674-A678 PolarHBondContact O-N 3.41Å; M674-L695 HydrophobicContact CE-CD1 3.68Å; M674-I707 HydrophobicContact CE-CG2 4.14Å; M674-I707 HydrophobicContact SD-CD1 4.46Å; M674-I707 HydrophobicContact SD-CG2 4.02Å
675	K	72.1	Confident	73.1	Confident	126 Å²	126	58.9 Å²	58.9	55%	0.548	31%	0.314	S	S	.	.	H	α-helix	trans	-71.5	-39.9	174	-73.2	169.7	-174.8	175.1	0	111.8	M671 K672 E673 A678 Y679	M671-K675 VanDerWaalsContact O-CD 3.32Å; M671-K675 WeakPolarHBondContact O-CD 3.45Å; M671-K675 VanDerWaalsContact O-CG 3.23Å; M671-K675 WeakPolarHBondContact O-CG 3.48Å; K672-K675 WeakPolarHBondContact O-CB 3.2Å; K672-K675 PolarHBondContact O-N 3.05Å; K672-K675 VanDerWaalsContact O-N 3.09Å; E673-K675 VanDerWaalsContact C-N 3.32Å; E673-K675 PolarHBondContact O-N 3.29Å; K675-A678 PolarHBondContact O-N 2.79Å; K675-Y679 VanDerWaalsContact O-CB 3.31Å; K675-Y679 WeakPolarHBondContact O-CB 3.34Å; K675-Y679 PolarHBondContact O-N 3.31Å
676	E	76.3	Confident	74.7	Confident	32 Å²	32	60.2 Å²	60.2	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-45.4	177	-68.8	160.2	158.8	0	0	110.3	R656 K672 E673 Y679 I680	R656-E676 WeakPolarHBondContact CD-OE2 3.45Å; R656-E676 IonicContact CZ-OE2 3.2Å; R656-E676 IonicContact NE-OE2 2.74Å; R656-E676 PolarHBondContact NE-OE2 2.77Å; R656-E676 IonicContact NH2-OE2 3.97Å; K672-E676 VanDerWaalsContact CE-OE1 3.22Å; K672-E676 WeakPolarHBondContact CE-OE1 3.42Å; K672-E676 WeakPolarHBondContact CG-OE1 3.49Å; K672-E676 WeakPolarHBondContact O-CG 3.32Å; K672-E676 PolarHBondContact O-N 3.01Å; E673-E676 WeakPolarHBondContact CA-OE2 3.37Å; E673-E676 PolarHBondContact O-N 2.92Å; E676-Y679 WeakPolarHBondContact O-CB 3.46Å; E676-Y679 PolarHBondContact O-N 3.35Å; E676-I680 WeakPolarHBondContact O-CG1 3.4Å; E676-I680 PolarHBondContact O-N 3.48Å
677	I	85	Confident	76.4	Confident	6 Å²	6	57 Å²	57	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-45.1	174.7	-65.9	-66.4	0	0	0	112.1	R656 E673 Y679 I680 L681 I692 L695 V711	R656-I677 HydrophobicContact CB-CD1 4.35Å; R656-I677 HydrophobicContact CG-CD1 4.2Å; E673-I677 WeakPolarHBondContact O-CG1 3.29Å; E673-I677 PolarHBondContact O-N 2.95Å; I677-Y679 PolarHBondContact O-N 3.28Å; I677-I680 PolarHBondContact O-N 3.27Å; I677-I680 VanDerWaalsContact O-N 3.15Å; I677-L681 HydrophobicContact CG2-CD1 3.72Å; I677-L681 HydrophobicContact CG2-CG 4.23Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.5Å; I677-L681 PolarHBondContact O-N 3.15Å; I677-I692 HydrophobicContact CD1-CD1 4.06Å; I677-I692 HydrophobicContact CD1-CG1 4.26Å; I677-I692 HydrophobicContact CD1-CG2 4.46Å; I677-L695 HydrophobicContact CD1-CD1 4.02Å; I677-L695 HydrophobicContact CD1-CD2 3.99Å; I677-L695 HydrophobicContact CG1-CD1 3.65Å; I677-L695 HydrophobicContact CG1-CD2 4.28Å; I677-V711 HydrophobicContact CG2-CG1 3.95Å; I677-V711 HydrophobicContact CG2-CG2 3.84Å
678	A	75.4	Confident	78.1	Confident	40 Å²	40	54.7 Å²	54.7	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-35.5	175.5	0	0	0	0	0	112.2	M674 K675 H682	M674-A678 VanDerWaalsContact O-CB 3.24Å; M674-A678 WeakPolarHBondContact O-CB 3.33Å; M674-A678 PolarHBondContact O-N 3.41Å; K675-A678 PolarHBondContact O-N 2.79Å; A678-H682 WeakPolarHBondContact O-CB 3.23Å; A678-H682 PolarHBondContact O-CD2 3.33Å; A678-H682 PolarHBondContact O-N 3.33Å
679	Y	71.7	Confident	79.4	Confident	34 Å²	34	51.3 Å²	51.3	13%	0.133	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-43.9	173.5	169.2	-103.8	0	0	0	112.4	A129 M245 D247 F654 K675 E676 I677 N683	A129-Y679 HydrophobicContact CB-CD2 4.47Å; A129-Y679 HydrophobicContact CB-CE2 3.44Å; A129-Y679 VanDerWaalsContact CB-CE2 3.44Å; M245-Y679 WeakPolarHBondContact CE-OH 3.4Å; D247-Y679 HydrophobicContact CB-CE1 3.79Å; F654-Y679 HydrophobicContact CD1-CE1 4.1Å; F654-Y679 AromaticContact CE1-CE1 3.79Å; F654-Y679 HydrophobicContact CE1-CE1 3.79Å; K675-Y679 VanDerWaalsContact O-CB 3.31Å; K675-Y679 WeakPolarHBondContact O-CB 3.34Å; K675-Y679 PolarHBondContact O-N 3.31Å; E676-Y679 WeakPolarHBondContact O-CB 3.46Å; E676-Y679 PolarHBondContact O-N 3.35Å; I677-Y679 PolarHBondContact O-N 3.28Å; Y679-N683 VanDerWaalsContact CD2-ND2 3.32Å; Y679-N683 WeakPolarHBondContact CD2-ND2 3.38Å; Y679-N683 VanDerWaalsContact CE2-ND2 3.31Å; Y679-N683 WeakPolarHBondContact CE2-ND2 3.24Å; Y679-N683 PolarHBondContact O-N 3.06Å; Y679-N683 PolarHBondContact O-ND2 2.78Å
680	I	81.7	Confident	80.5	Confident	8 Å²	8	48.1 Å²	48.1	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-52.2	175	-65.2	173.3	0	0	0	110.2	F654 R656 E676 I677 H682 N683 A684 I690	F654-I680 HydrophobicContact CB-CD1 4.02Å; F654-I680 HydrophobicContact CB-CG1 3.88Å; F654-I680 HydrophobicContact CB-CG2 4.11Å; F654-I680 HydrophobicContact CD1-CG1 4.04Å; F654-I680 HydrophobicContact CD2-CG2 4.26Å; F654-I680 HydrophobicContact CG-CG1 4.07Å; F654-I680 HydrophobicContact CG-CG2 4.14Å; R656-I680 HydrophobicContact CB-CD1 4.18Å; E676-I680 WeakPolarHBondContact O-CG1 3.4Å; E676-I680 PolarHBondContact O-N 3.48Å; I677-I680 PolarHBondContact O-N 3.27Å; I677-I680 VanDerWaalsContact O-N 3.15Å; I680-H682 VanDerWaalsContact C-N 3.29Å; I680-H682 PolarHBondContact O-N 3.35Å; I680-N683 PolarHBondContact O-N 3.36Å; I680-N683 VanDerWaalsContact O-N 3.12Å; I680-A684 VanDerWaalsContact O-CB 3.28Å; I680-A684 WeakPolarHBondContact O-CB 3.19Å; I680-A684 PolarHBondContact O-N 3.34Å; I680-I690 HydrophobicContact CG2-CD1 4.21Å; I680-I690 HydrophobicContact CG2-CG1 4.49Å; I680-I690 HydrophobicContact CG2-CG2 4.02Å
681	L	82.9	Confident	81.3	Confident	44 Å²	44	46.2 Å²	46.2	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-35.9	-178.2	-66.5	167.9	0	0	0	113	I677 V711 H714 L715	I677-L681 HydrophobicContact CG2-CD1 3.72Å; I677-L681 HydrophobicContact CG2-CG 4.23Å; I677-L681 VanDerWaalsContact O-CG 3.3Å; I677-L681 WeakPolarHBondContact O-CG 3.5Å; I677-L681 PolarHBondContact O-N 3.15Å; L681-V711 HydrophobicContact CD1-CG2 4.36Å; L681-V711 HydrophobicContact CD2-CG1 4.45Å; L681-H714 HydrophobicContact CD2-CB 4.2Å; L681-L715 HydrophobicContact CD2-CD2 3.76Å; L681-L715 HydrophobicContact CD2-CG 4.08Å
682	H	73.8	Confident	82.1	Confident	162 Å²	162	41.6 Å²	41.6	75%	0.75	21%	0.206	S	C	*	.	H	α-helix	trans	-77.9	-14.9	178.6	-81	-48.6	0	0	0	115.2	A678 I680	A678-H682 WeakPolarHBondContact O-CB 3.23Å; A678-H682 PolarHBondContact O-CD2 3.33Å; A678-H682 PolarHBondContact O-N 3.33Å; I680-H682 VanDerWaalsContact C-N 3.29Å; I680-H682 PolarHBondContact O-N 3.35Å
683	N	71.9	Confident	83.1	Confident	36 Å²	36	38.9 Å²	38.9	19%	0.193	19%	0.194	C	C	.	.	H	α-helix	trans	-120.4	-15.6	-174.6	-65.8	-82.5	0	0	0	114	N125 Q652 F654 Y679 I680	N125-N683 PolarHBondContact ND2-OD1 2.93Å; Q652-N683 PolarHBondContact NE2-O 3.3Å; Q652-N683 PolarHBondContact OE1-O 2.94Å; Q652-N683 VanDerWaalsContact OE1-O 3.09Å; F654-N683 HydrophobicContact CE1-CB 4.39Å; F654-N683 HydrophobicContact CZ-CB 3.85Å; Y679-N683 VanDerWaalsContact CD2-ND2 3.32Å; Y679-N683 WeakPolarHBondContact CD2-ND2 3.38Å; Y679-N683 VanDerWaalsContact CE2-ND2 3.31Å; Y679-N683 WeakPolarHBondContact CE2-ND2 3.24Å; Y679-N683 PolarHBondContact O-N 3.06Å; Y679-N683 PolarHBondContact O-ND2 2.78Å; I680-N683 PolarHBondContact O-N 3.36Å; I680-N683 VanDerWaalsContact O-N 3.12Å
684	A	79.8	Confident	83.4	Confident	18 Å²	18	39.3 Å²	39.3	15%	0.149	20%	0.196	C	C	.	.			trans	-66.6	152.8	179.6	0	0	0	0	0	114.1	F654 I680 S688 I690 I718	F654-A684 HydrophobicContact CE2-CB 4.15Å; I680-A684 VanDerWaalsContact O-CB 3.28Å; I680-A684 WeakPolarHBondContact O-CB 3.19Å; I680-A684 PolarHBondContact O-N 3.34Å; A684-S688 WeakPolarHBondContact CA-OG 3.31Å; A684-I690 HydrophobicContact CB-CD1 3.87Å; A684-I718 HydrophobicContact CB-CD1 4.32Å
685	N	84.3	Confident	83.6	Confident	52 Å²	52	37.4 Å²	37.4	28%	0.278	19%	0.187	S	C	.	.			trans	-144.6	-178.9	176.2	58.9	55.1	0	0	0	110.8	Q652 K687 S688 I718 A720	Q652-N685 PolarHBondContact OE1-ND2 3.12Å; N685-K687 PolarHBondContact O-N 3.41Å; N685-K687 VanDerWaalsContact O-N 3.13Å; N685-K687 WeakPolarHBondContact OD1-CA 3.36Å; N685-K687 WeakPolarHBondContact OD1-CB 3.48Å; N685-K687 PolarHBondContact OD1-N 3.1Å; N685-S688 PolarHBondContact N-OG 2.84Å; N685-S688 WeakPolarHBondContact O-CB 3.45Å; N685-S688 PolarHBondContact O-N 2.68Å; N685-S688 PolarHBondContact O-OG 3.17Å; N685-S688 VanDerWaalsContact O-OG 3.14Å; N685-S688 PolarHBondContact OD1-N 2.74Å; N685-I718 WeakPolarHBondContact O-CG2 3.29Å; N685-A720 WeakPolarHBondContact O-CB 3.49Å
686	D	86.9	Confident	84	Confident	85 Å²	85	31.4 Å²	31.4	46%	0.455	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.9	179	64.9	-47.8	0	0	0	113.3	R648 I718	R648-D686 PolarHBondContact NH1-O 3.23Å; R648-D686 PolarHBondContact NH2-O 2.89Å; D686-I718 WeakPolarHBondContact CA-O 3.31Å
687	K	86.6	Confident	84.1	Confident	115 Å²	115	37.8 Å²	37.8	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	13.3	179.6	-58.6	-176.8	-176.8	-178.1	0	114	A650 A651 N685	A650-K687 WeakPolarHBondContact CA-O 3.11Å; A651-K687 HydrophobicContact CB-CB 3.89Å; A651-K687 PolarHBondContact N-O 3.34Å; N685-K687 PolarHBondContact O-N 3.41Å; N685-K687 VanDerWaalsContact O-N 3.13Å; N685-K687 WeakPolarHBondContact OD1-CA 3.36Å; N685-K687 WeakPolarHBondContact OD1-CB 3.48Å; N685-K687 PolarHBondContact OD1-N 3.1Å
688	S	90.3	Very high	83.6	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	147.3	170.2	-48.8	0	0	0	0	112.1	Q652 A684 N685 F721	Q652-S688 WeakPolarHBondContact O-CA 3.24Å; Q652-S688 PolarHBondContact OE1-OG 2.88Å; A684-S688 WeakPolarHBondContact CA-OG 3.31Å; N685-S688 PolarHBondContact N-OG 2.84Å; N685-S688 WeakPolarHBondContact O-CB 3.45Å; N685-S688 PolarHBondContact O-N 2.68Å; N685-S688 PolarHBondContact O-OG 3.17Å; N685-S688 VanDerWaalsContact O-OG 3.14Å; N685-S688 PolarHBondContact OD1-N 2.74Å; S688-F721 PolarHBondContact O-N 2.96Å; S688-F721 VanDerWaalsContact O-N 3.09Å
689	L	93.6	Very high	83.9	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	156.8	176.8	63.7	0	0	0	108.1	L578 Q631 A650 Q652 I653 F654 L691 F721 L723	L578-L689 HydrophobicContact CD1-CD1 4.25Å; Q631-L689 HydrophobicContact CB-CD2 3.97Å; Q631-L689 HydrophobicContact CG-CD2 3.79Å; A650-L689 HydrophobicContact CB-CB 4.06Å; Q652-L689 PolarHBondContact O-N 3.09Å; I653-L689 WeakPolarHBondContact CA-O 3.36Å; I653-L689 HydrophobicContact CG1-CB 4.49Å; I653-L689 HydrophobicContact CG2-CD2 4.42Å; F654-L689 PolarHBondContact N-O 3.28Å; L689-L691 HydrophobicContact CD1-CD2 4.31Å; L689-L691 HydrophobicContact CG-CD2 4.44Å; L689-F721 CarbonylContact C-O 3.54Å; L689-F721 WeakPolarHBondContact CA-O 3.48Å; L689-F721 HydrophobicContact CD1-CB 4.09Å; L689-L723 HydrophobicContact CD1-CD1 3.95Å
690	I	93.7	Very high	84.5	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.3	-172.1	-55.9	177.2	0	0	0	109.4	F654 I680 A684 I692 L715 A720 F721 T722 L723	F654-I690 HydrophobicContact CD2-CG1 4.23Å; F654-I690 CarbonylContact O-C 3.3Å; F654-I690 WeakPolarHBondContact O-CA 3.46Å; I680-I690 HydrophobicContact CG2-CD1 4.21Å; I680-I690 HydrophobicContact CG2-CG1 4.49Å; I680-I690 HydrophobicContact CG2-CG2 4.02Å; A684-I690 HydrophobicContact CB-CD1 3.87Å; I690-I692 HydrophobicContact CG2-CD1 4Å; I690-I692 HydrophobicContact CG2-CG1 4.05Å; I690-L715 HydrophobicContact CD1-CD2 3.63Å; I690-L715 HydrophobicContact CG2-CD1 4.21Å; I690-A720 HydrophobicContact CD1-CB 3.62Å; I690-A720 HydrophobicContact CG1-CB 4.27Å; I690-F721 PolarHBondContact N-O 3.02Å; I690-T722 HydrophobicContact CB-CG2 4.28Å; I690-T722 HydrophobicContact CG2-CG2 4.25Å; I690-T722 CarbonylContact O-C 3.36Å; I690-T722 VanDerWaalsContact O-CA 3.32Å; I690-T722 WeakPolarHBondContact O-CA 3.47Å; I690-L723 PolarHBondContact O-N 3.49Å
691	L	93.9	Very high	84.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.3	176.4	-49.6	-175	0	0	0	109.5	L624 A628 F654 T655 R656 L689 L723	L624-L691 HydrophobicContact CB-CD1 4.22Å; L624-L691 HydrophobicContact CD1-CB 4.4Å; L624-L691 HydrophobicContact CD2-CD2 4.27Å; L624-L691 WeakPolarHBondContact O-CD1 3.41Å; A628-L691 HydrophobicContact CB-CD1 3.53Å; F654-L691 PolarHBondContact O-N 2.68Å; T655-L691 CarbonylContact C-O 3.54Å; T655-L691 WeakPolarHBondContact CA-O 3.31Å; T655-L691 HydrophobicContact CG2-CB 4.07Å; T655-L691 HydrophobicContact CG2-CD1 3.74Å; T655-L691 HydrophobicContact CG2-CG 3.98Å; R656-L691 PolarHBondContact N-O 3.38Å; L689-L691 HydrophobicContact CD1-CD2 4.31Å; L689-L691 HydrophobicContact CG-CD2 4.44Å; L691-L723 WeakPolarHBondContact CA-O 3.3Å; L691-L723 HydrophobicContact CD2-CB 3.96Å; L691-L723 HydrophobicContact CD2-CD1 3.42Å; L691-L723 VanDerWaalsContact CD2-CD1 3.42Å; L691-L723 HydrophobicContact CD2-CG 4.24Å
692	I	92.4	Very high	84.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.7	-179.3	-66.4	171.8	0	0	0	109	I677 I690 L695 V711 L715 L723 F724 T725	I677-I692 HydrophobicContact CD1-CD1 4.06Å; I677-I692 HydrophobicContact CD1-CG1 4.26Å; I677-I692 HydrophobicContact CD1-CG2 4.46Å; I690-I692 HydrophobicContact CG2-CD1 4Å; I690-I692 HydrophobicContact CG2-CG1 4.05Å; I692-L695 HydrophobicContact CG2-CB 3.67Å; I692-L695 HydrophobicContact CG2-CD2 4.17Å; I692-V711 HydrophobicContact CD1-CG1 4.44Å; I692-L715 HydrophobicContact CD1-CD1 3.62Å; I692-L723 PolarHBondContact N-O 2.79Å; I692-F724 HydrophobicContact CB-CD2 4.18Å; I692-F724 HydrophobicContact CB-CE2 4.49Å; I692-F724 HydrophobicContact CB-CG 4.39Å; I692-F724 HydrophobicContact CD1-CD2 4.19Å; I692-F724 HydrophobicContact CD1-CE2 4.29Å; I692-F724 HydrophobicContact CG2-CD1 4.48Å; I692-F724 HydrophobicContact CG2-CD2 4.1Å; I692-F724 HydrophobicContact CG2-CE1 4.33Å; I692-F724 HydrophobicContact CG2-CE2 3.95Å; I692-F724 HydrophobicContact CG2-CG 4.38Å; I692-F724 HydrophobicContact CG2-CZ 4.07Å; I692-F724 WeakPolarHBondContact O-CA 3.34Å; I692-T725 PolarHBondContact O-N 2.97Å; I692-T725 PolarHBondContact O-OG1 3.37Å
693	D	90.4	Very high	84.7	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.3	-177.8	-159.8	19	0	0	0	112.4	S621 L624 R656 I657 L695 T725	S621-D693 WeakPolarHBondContact CB-OD2 3.37Å; S621-D693 PolarHBondContact OG-OD2 3.44Å; L624-D693 HydrophobicContact CD1-CB 3.96Å; R656-D693 PolarHBondContact O-N 3.48Å; I657-D693 HydrophobicContact CG1-CB 4.48Å; I657-D693 HydrophobicContact CG2-CB 4.48Å; D693-L695 VanDerWaalsContact C-N 3.33Å; D693-L695 PolarHBondContact O-N 3.05Å; D693-T725 VanDerWaalsContact CA-OG1 3.28Å; D693-T725 WeakPolarHBondContact CA-OG1 3.29Å; D693-T725 VanDerWaalsContact CG-OG1 3.26Å; D693-T725 WeakPolarHBondContact OD1-CB 3.3Å; D693-T725 PolarHBondContact OD1-OG1 2.98Å
694	E	85.7	Confident	85.3	Confident	18 Å²	18	47.4 Å²	47.4	8%	0.084	25%	0.245	C	C	.	.	S	Bend	trans	57.3	36.5	174	-54.5	-168.9	-179.5	0	0	115.3	K620 R697 T725 H727	K620-E694 IonicContact NZ-OE1 2.7Å; K620-E694 PolarHBondContact NZ-OE1 3.26Å; E694-R697 VanDerWaalsContact O-CB 3.3Å; E694-R697 WeakPolarHBondContact O-CB 3.45Å; E694-R697 PolarHBondContact O-N 3.26Å; E694-R697 IonicContact OE2-CZ 2.72Å; E694-R697 IonicContact OE2-NE 3.23Å; E694-R697 IonicContact OE2-NH1 3.71Å; E694-R697 PolarHBondContact OE2-NH1 2.98Å; E694-T725 PolarHBondContact N-O 3.21Å; E694-H727 VanDerWaalsContact CD-CD2 3.43Å; E694-H727 IonicContact OE1-CD2 3.13Å; E694-H727 IonicContact OE1-CE1 2.8Å; E694-H727 IonicContact OE1-NE2 3.62Å; E694-H727 PolarHBondContact OE1-NE2 3.41Å; E694-H727 IonicContact OE2-CD2 3.9Å; E694-H727 IonicContact OE2-NE2 2.72Å; E694-H727 PolarHBondContact OE2-NE2 3.05Å
695	L	86.3	Confident	85.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	139.5	174.7	177.8	58.3	0	0	0	112.5	E673 M674 I677 I692 D693 R697 S708 V711 F724 F728	E673-L695 HydrophobicContact CG-CD1 3.98Å; E673-L695 WeakPolarHBondContact OE1-CA 3.39Å; E673-L695 WeakPolarHBondContact OE1-CD1 3.46Å; M674-L695 HydrophobicContact CE-CD1 3.68Å; I677-L695 HydrophobicContact CD1-CD1 4.02Å; I677-L695 HydrophobicContact CD1-CD2 3.99Å; I677-L695 HydrophobicContact CG1-CD1 3.65Å; I677-L695 HydrophobicContact CG1-CD2 4.28Å; I692-L695 HydrophobicContact CG2-CB 3.67Å; I692-L695 HydrophobicContact CG2-CD2 4.17Å; D693-L695 VanDerWaalsContact C-N 3.33Å; D693-L695 PolarHBondContact O-N 3.05Å; L695-R697 VanDerWaalsContact C-N 3.31Å; L695-R697 PolarHBondContact O-N 3.35Å; L695-S708 PolarHBondContact O-OG 2.91Å; L695-V711 HydrophobicContact CD2-CB 4.1Å; L695-V711 HydrophobicContact CD2-CG1 3.87Å; L695-V711 HydrophobicContact CD2-CG2 4.26Å; L695-F724 HydrophobicContact CB-CE1 4.29Å; L695-F724 HydrophobicContact CB-CZ 3.85Å; L695-F724 HydrophobicContact CD2-CE2 4.01Å; L695-F724 HydrophobicContact CD2-CZ 3.8Å; L695-F724 HydrophobicContact CG-CZ 4.31Å; L695-F728 WeakPolarHBondContact O-CE2 3.45Å
696	G	80.4	Confident	85.5	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	1.2	173.3	0	0	0	0	0	114	E673 G698	E673-G696 PolarHBondContact OE1-N 2.86Å; G696-G698 PolarHBondContact O-N 2.99Å
697	R	79.3	Confident	85.5	Confident	167 Å²	167	46.4 Å²	46.4	63%	0.63	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.2	-178.8	-177.2	172.4	164.6	-155.7	-16.9	113.8	E694 L695	E694-R697 VanDerWaalsContact O-CB 3.3Å; E694-R697 WeakPolarHBondContact O-CB 3.45Å; E694-R697 PolarHBondContact O-N 3.26Å; E694-R697 IonicContact OE2-CZ 2.72Å; E694-R697 IonicContact OE2-NE 3.23Å; E694-R697 IonicContact OE2-NH1 3.71Å; E694-R697 PolarHBondContact OE2-NH1 2.98Å; L695-R697 VanDerWaalsContact C-N 3.31Å; L695-R697 PolarHBondContact O-N 3.35Å
698	G	75.1	Confident	85.7	Confident	43 Å²	43	40.9 Å²	40.9	44%	0.443	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.2	-179.2	0	0	0	0	0	116.7	G696	G696-G698 PolarHBondContact O-N 2.99Å
699	T	81.4	Confident	85.6	Confident	42 Å²	42	44 Å²	44	26%	0.258	23%	0.233	S	C	.	.	S	Bend	trans	-133	-175.4	-179.3	-162.3	0	0	0	0	112.5	F670 E703	F670-T699 HydrophobicContact CD2-CG2 4.25Å; F670-T699 HydrophobicContact CE1-CG2 4.47Å; F670-T699 HydrophobicContact CE2-CG2 3.52Å; F670-T699 HydrophobicContact CZ-CG2 3.66Å; T699-E703 HydrophobicContact CG2-CB 3.92Å; T699-E703 PolarHBondContact OG1-OE2 3.16Å
700	N	83.1	Confident	85.4	Confident	100 Å²	100	46.4 Å²	46.4	54%	0.535	25%	0.253	S	S	.	.			trans	-55.2	135.3	175.2	-153	20.7	0	0	0	110.8	E702 E703 G704	N700-E702 VanDerWaalsContact C-N 3.34Å; N700-E702 PolarHBondContact O-N 3.14Å; N700-E703 HydrophobicContact CB-CB 4.46Å; N700-E703 HydrophobicContact CB-CG 4.14Å; N700-E703 WeakPolarHBondContact O-CB 3.45Å; N700-E703 PolarHBondContact O-N 3.23Å; N700-G704 PolarHBondContact O-N 3.27Å
701	T	79.2	Confident	85.2	Confident	91 Å²	91	47 Å²	47	56%	0.558	26%	0.257	S	S	*	.	H	α-helix	trans	-60.8	-38.6	-165.3	45.9	0	0	0	0	114	G704 I705	T701-G704 PolarHBondContact O-N 3.49Å; T701-I705 WeakPolarHBondContact O-CD1 3.43Å; T701-I705 VanDerWaalsContact O-CG1 3.24Å; T701-I705 WeakPolarHBondContact O-CG1 3.43Å; T701-I705 PolarHBondContact O-N 3.43Å
702	E	80.3	Confident	85	Confident	155 Å²	155	47 Å²	47	72%	0.724	26%	0.257	S	S	*	.	H	α-helix	trans	-64	-39.5	177.1	-60.9	-178.4	166.5	0	0	112.1	N700 G706	N700-E702 VanDerWaalsContact C-N 3.34Å; N700-E702 PolarHBondContact O-N 3.14Å; E702-G706 PolarHBondContact O-N 3.32Å
703	E	83.4	Confident	84.9	Confident	101 Å²	101	50.6 Å²	50.6	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-42.7	175.1	-61.3	174.9	176.7	0	0	111.4	T699 N700 I705 G706 I707	T699-E703 HydrophobicContact CG2-CB 3.92Å; T699-E703 PolarHBondContact OG1-OE2 3.16Å; N700-E703 HydrophobicContact CB-CB 4.46Å; N700-E703 HydrophobicContact CB-CG 4.14Å; N700-E703 WeakPolarHBondContact O-CB 3.45Å; N700-E703 PolarHBondContact O-N 3.23Å; E703-I705 VanDerWaalsContact C-N 3.34Å; E703-I705 PolarHBondContact O-N 3.36Å; E703-G706 PolarHBondContact O-N 3.45Å; E703-I707 WeakPolarHBondContact O-CB 3.39Å; E703-I707 WeakPolarHBondContact O-CG1 3.28Å; E703-I707 PolarHBondContact O-N 3.49Å
704	G	85.3	Confident	84.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-40	178	0	0	0	0	0	112.6	N700 T701 S708	N700-G704 PolarHBondContact O-N 3.27Å; T701-G704 PolarHBondContact O-N 3.49Å; G704-S708 VanDerWaalsContact O-CB 3.23Å; G704-S708 WeakPolarHBondContact O-CB 3.31Å; G704-S708 PolarHBondContact O-N 2.9Å; G704-S708 PolarHBondContact O-OG 3.12Å
705	I	85.1	Confident	84.9	Confident	41 Å²	41	54 Å²	54	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-50.1	171.8	-68.5	162.4	0	0	0	110.4	T701 E703 I707 S708 Y709 F728 E730	T701-I705 WeakPolarHBondContact O-CD1 3.43Å; T701-I705 VanDerWaalsContact O-CG1 3.24Å; T701-I705 WeakPolarHBondContact O-CG1 3.43Å; T701-I705 PolarHBondContact O-N 3.43Å; E703-I705 VanDerWaalsContact C-N 3.34Å; E703-I705 PolarHBondContact O-N 3.36Å; I705-I707 PolarHBondContact O-N 3.43Å; I705-S708 PolarHBondContact O-N 3.12Å; I705-Y709 WeakPolarHBondContact O-CB 3.32Å; I705-Y709 PolarHBondContact O-N 3.34Å; I705-F728 HydrophobicContact CD1-CD1 3.96Å; I705-F728 HydrophobicContact CD1-CE1 4.39Å; I705-F728 HydrophobicContact CD1-CG 4.4Å; I705-F728 HydrophobicContact CG1-CB 3.96Å; I705-F728 HydrophobicContact CG1-CD1 3.46Å; I705-F728 VanDerWaalsContact CG1-CD1 3.46Å; I705-F728 HydrophobicContact CG1-CD2 3.93Å; I705-F728 HydrophobicContact CG1-CE1 3.86Å; I705-F728 HydrophobicContact CG1-CE2 4.28Å; I705-F728 HydrophobicContact CG1-CG 3.51Å; I705-F728 HydrophobicContact CG1-CZ 4.25Å; I705-E730 HydrophobicContact CD1-CB 4.41Å; I705-E730 HydrophobicContact CD1-CG 4.03Å; I705-E730 HydrophobicContact CG2-CB 4.02Å
706	G	82.8	Confident	84.9	Confident	40 Å²	40	54.9 Å²	54.9	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-43.5	-178.5	0	0	0	0	0	113.5	E702 E703 A710	E702-G706 PolarHBondContact O-N 3.32Å; E703-G706 PolarHBondContact O-N 3.45Å; G706-A710 WeakPolarHBondContact O-CB 3.47Å; G706-A710 PolarHBondContact O-N 2.81Å
707	I	88.3	Confident	85.1	Confident	52 Å²	52	58.9 Å²	58.9	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-47.7	174.7	-69.9	162.2	0	0	0	110.4	F670 M674 E703 I705 Y709 A710 V711	F670-I707 HydrophobicContact CZ-CD1 3.86Å; M674-I707 HydrophobicContact CE-CG2 4.14Å; M674-I707 HydrophobicContact SD-CD1 4.46Å; M674-I707 HydrophobicContact SD-CG2 4.02Å; E703-I707 WeakPolarHBondContact O-CB 3.39Å; E703-I707 WeakPolarHBondContact O-CG1 3.28Å; E703-I707 PolarHBondContact O-N 3.49Å; I705-I707 PolarHBondContact O-N 3.43Å; I707-Y709 VanDerWaalsContact C-N 3.28Å; I707-Y709 PolarHBondContact O-N 3.27Å; I707-A710 PolarHBondContact O-N 3.36Å; I707-V711 HydrophobicContact CG2-CG2 4.15Å; I707-V711 WeakPolarHBondContact O-CB 3.37Å; I707-V711 WeakPolarHBondContact O-CG2 3.45Å; I707-V711 PolarHBondContact O-N 3.3Å
708	S	89.6	Confident	85.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-40.2	179.1	-64.7	0	0	0	0	112.4	L695 G704 I705 C712	L695-S708 PolarHBondContact O-OG 2.91Å; G704-S708 VanDerWaalsContact O-CB 3.23Å; G704-S708 WeakPolarHBondContact O-CB 3.31Å; G704-S708 PolarHBondContact O-N 2.9Å; G704-S708 PolarHBondContact O-OG 3.12Å; I705-S708 PolarHBondContact O-N 3.12Å; S708-C712 VanDerWaalsContact O-CB 3.29Å; S708-C712 WeakPolarHBondContact O-CB 3.37Å; S708-C712 PolarHBondContact O-N 2.84Å
709	Y	89.3	Confident	85.8	Confident	67 Å²	67	57.3 Å²	57.3	26%	0.263	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-54	175.7	-172.9	-75.3	0	0	0	111.3	I705 I707 V711 C712 E713 L731 L734 L737	I705-Y709 WeakPolarHBondContact O-CB 3.32Å; I705-Y709 PolarHBondContact O-N 3.34Å; I707-Y709 VanDerWaalsContact C-N 3.28Å; I707-Y709 PolarHBondContact O-N 3.27Å; Y709-V711 VanDerWaalsContact C-N 3.32Å; Y709-V711 PolarHBondContact O-N 2.85Å; Y709-C712 PolarHBondContact O-N 3.4Å; Y709-C712 VanDerWaalsContact O-N 3.16Å; Y709-E713 WeakPolarHBondContact O-CB 3.45Å; Y709-E713 PolarHBondContact O-N 3.24Å; Y709-L731 HydrophobicContact CD2-CD1 4.4Å; Y709-L734 HydrophobicContact CD2-CD1 4.45Å; Y709-L734 HydrophobicContact CD2-CD2 3.89Å; Y709-L734 HydrophobicContact CD2-CG 4.02Å; Y709-L734 HydrophobicContact CE1-CD2 4.08Å; Y709-L734 HydrophobicContact CE2-CD2 3.34Å; Y709-L734 HydrophobicContact CE2-CG 3.77Å; Y709-L734 HydrophobicContact CG-CD2 4.46Å; Y709-L734 VanDerWaalsContact CZ-CD2 3.44Å; Y709-L737 WeakPolarHBondContact OH-CD1 3.05Å
710	A	88.3	Confident	86.2	Confident	53 Å²	53	55.3 Å²	55.3	44%	0.438	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-35.4	-178.5	0	0	0	0	0	113	G706 I707 H714	G706-A710 WeakPolarHBondContact O-CB 3.47Å; G706-A710 PolarHBondContact O-N 2.81Å; I707-A710 PolarHBondContact O-N 3.36Å; A710-H714 WeakPolarHBondContact O-CB 3.5Å; A710-H714 PolarHBondContact O-N 2.98Å
711	V	90.6	Very high	86.7	Confident	13 Å²	13	50.8 Å²	50.8	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-45.7	173.3	170.4	0	0	0	0	110.7	I677 L681 I692 L695 I707 Y709 H714 L715	I677-V711 HydrophobicContact CG2-CG1 3.95Å; I677-V711 HydrophobicContact CG2-CG2 3.84Å; L681-V711 HydrophobicContact CD1-CG2 4.36Å; L681-V711 HydrophobicContact CD2-CG1 4.45Å; I692-V711 HydrophobicContact CD1-CG1 4.44Å; L695-V711 HydrophobicContact CD2-CB 4.1Å; L695-V711 HydrophobicContact CD2-CG1 3.87Å; L695-V711 HydrophobicContact CD2-CG2 4.26Å; I707-V711 HydrophobicContact CG2-CG2 4.15Å; I707-V711 WeakPolarHBondContact O-CB 3.37Å; I707-V711 WeakPolarHBondContact O-CG2 3.45Å; I707-V711 PolarHBondContact O-N 3.3Å; Y709-V711 VanDerWaalsContact C-N 3.32Å; Y709-V711 PolarHBondContact O-N 2.85Å; V711-H714 PolarHBondContact O-N 2.88Å; V711-L715 HydrophobicContact CG1-CD1 4.19Å; V711-L715 WeakPolarHBondContact O-CG 3.35Å; V711-L715 PolarHBondContact O-N 3.15Å
712	C	89.8	Confident	87.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-42	178.2	-164.9	0	0	0	0	112.1	S708 Y709 H714 L715 L716 F724 L734	S708-C712 VanDerWaalsContact O-CB 3.29Å; S708-C712 WeakPolarHBondContact O-CB 3.37Å; S708-C712 PolarHBondContact O-N 2.84Å; Y709-C712 PolarHBondContact O-N 3.4Å; Y709-C712 VanDerWaalsContact O-N 3.16Å; C712-H714 PolarHBondContact O-N 3.47Å; C712-L715 PolarHBondContact O-N 3.19Å; C712-L716 WeakPolarHBondContact O-CG 3.37Å; C712-L716 PolarHBondContact O-N 3.3Å; C712-F724 HydrophobicContact CB-CD2 4.42Å; C712-F724 HydrophobicContact CB-CE2 4.31Å; C712-L734 HydrophobicContact CB-CD1 3.81Å; C712-L734 VanDerWaalsContact SG-CD1 3.6Å
713	E	88.5	Confident	88.1	Confident	75 Å²	75	39 Å²	39	35%	0.35	21%	0.211	S	C	.	.	H	α-helix	trans	-61.1	-40.4	174.3	-176.3	169.3	-120	0	0	112.4	Y709 L716 S717 Y738	Y709-E713 WeakPolarHBondContact O-CB 3.45Å; Y709-E713 PolarHBondContact O-N 3.24Å; E713-L716 WeakPolarHBondContact O-CB 3.32Å; E713-L716 PolarHBondContact O-N 2.91Å; E713-S717 PolarHBondContact O-N 3.47Å; E713-Y738 PolarHBondContact OE1-OH 3.46Å
714	H	88.1	Confident	88.6	Confident	93 Å²	93	34.2 Å²	34.2	43%	0.431	19%	0.188	S	C	.	.	H	α-helix	trans	-65.3	-44.5	173.9	-165.2	87	0	0	0	112	L681 A710 V711 C712 L716 S717 I718	L681-H714 HydrophobicContact CD2-CB 4.2Å; A710-H714 WeakPolarHBondContact O-CB 3.5Å; A710-H714 PolarHBondContact O-N 2.98Å; V711-H714 PolarHBondContact O-N 2.88Å; C712-H714 PolarHBondContact O-N 3.47Å; H714-L716 VanDerWaalsContact C-N 3.34Å; H714-L716 PolarHBondContact O-N 3.08Å; H714-S717 WeakPolarHBondContact O-CB 3.44Å; H714-S717 PolarHBondContact O-N 2.95Å; H714-S717 VanDerWaalsContact O-N 3.12Å; H714-S717 PolarHBondContact O-OG 3.41Å; H714-I718 PolarHBondContact O-N 2.87Å
715	L	88.3	Confident	88.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-34.1	178.4	-67.3	178.2	0	0	0	112.9	L681 I690 I692 V711 C712 S717 I718 K719 T722	L681-L715 HydrophobicContact CD2-CD2 3.76Å; L681-L715 HydrophobicContact CD2-CG 4.08Å; I690-L715 HydrophobicContact CD1-CD2 3.63Å; I690-L715 HydrophobicContact CG2-CD1 4.21Å; I692-L715 HydrophobicContact CD1-CD1 3.62Å; V711-L715 HydrophobicContact CG1-CD1 4.19Å; V711-L715 WeakPolarHBondContact O-CG 3.35Å; V711-L715 PolarHBondContact O-N 3.15Å; C712-L715 PolarHBondContact O-N 3.19Å; L715-S717 VanDerWaalsContact C-N 3.29Å; L715-S717 PolarHBondContact O-N 3.47Å; L715-I718 HydrophobicContact CD2-CD1 4.31Å; L715-I718 PolarHBondContact O-N 3.06Å; L715-K719 PolarHBondContact O-N 2.92Å; L715-T722 HydrophobicContact CD1-CG2 3.89Å
716	L	87.2	Confident	89	Confident	19 Å²	19	32.3 Å²	32.3	10%	0.099	18%	0.178	C	C	.	.	H	α-helix	trans	-56.3	-43	169.9	-83.9	162.5	0	0	0	111.5	V609 C712 E713 H714 I718 K719 Y738 N740 V741	V609-L716 HydrophobicContact CB-CD2 4.05Å; V609-L716 HydrophobicContact CG2-CD2 3.47Å; V609-L716 VanDerWaalsContact CG2-CD2 3.47Å; V609-L716 HydrophobicContact CG2-CG 3.84Å; C712-L716 WeakPolarHBondContact O-CG 3.37Å; C712-L716 PolarHBondContact O-N 3.3Å; E713-L716 WeakPolarHBondContact O-CB 3.32Å; E713-L716 PolarHBondContact O-N 2.91Å; H714-L716 VanDerWaalsContact C-N 3.34Å; H714-L716 PolarHBondContact O-N 3.08Å; L716-I718 VanDerWaalsContact C-N 3.29Å; L716-I718 PolarHBondContact O-N 3.04Å; L716-K719 PolarHBondContact O-N 3.15Å; L716-Y738 HydrophobicContact CD1-CD1 4.42Å; L716-Y738 HydrophobicContact CD1-CD2 3.8Å; L716-Y738 HydrophobicContact CD1-CE2 4.34Å; L716-Y738 HydrophobicContact CD1-CG 3.84Å; L716-N740 HydrophobicContact CD2-CB 4.16Å; L716-V741 HydrophobicContact CD1-CG2 3.96Å; L716-V741 HydrophobicContact CD2-CG2 3.88Å; L716-V741 HydrophobicContact CG-CG2 4.48Å
717	S	85.1	Confident	89	Confident	83 Å²	83	34 Å²	34	58%	0.58	18%	0.176	S	C	*	.	H	α-helix	trans	-65	-30.2	-179.6	81	0	0	0	0	113.8	E713 H714 L715 K719	E713-S717 PolarHBondContact O-N 3.47Å; H714-S717 WeakPolarHBondContact O-CB 3.44Å; H714-S717 PolarHBondContact O-N 2.95Å; H714-S717 VanDerWaalsContact O-N 3.12Å; H714-S717 PolarHBondContact O-OG 3.41Å; L715-S717 VanDerWaalsContact C-N 3.29Å; L715-S717 PolarHBondContact O-N 3.47Å; S717-K719 VanDerWaalsContact C-N 3.32Å
718	I	83.9	Confident	88.8	Confident	32 Å²	32	33 Å²	33	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-75.2	-20.7	179.6	-64.1	173.1	0	0	0	111.9	A684 N685 D686 H714 L715 L716 A720	A684-I718 HydrophobicContact CB-CD1 4.32Å; N685-I718 WeakPolarHBondContact O-CG2 3.29Å; D686-I718 WeakPolarHBondContact CA-O 3.31Å; H714-I718 PolarHBondContact O-N 2.87Å; L715-I718 HydrophobicContact CD2-CD1 4.31Å; L715-I718 PolarHBondContact O-N 3.06Å; L716-I718 VanDerWaalsContact C-N 3.29Å; L716-I718 PolarHBondContact O-N 3.04Å; I718-A720 HydrophobicContact CG2-CB 4.09Å; I718-A720 PolarHBondContact O-N 3.03Å
719	K	84.6	Confident	88.4	Confident	145 Å²	145	36.5 Å²	36.5	63%	0.63	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	18.2	-172.7	-51.6	179.7	-178.4	178	0	114.9	L715 L716 S717	L715-K719 PolarHBondContact O-N 2.92Å; L716-K719 PolarHBondContact O-N 3.15Å; S717-K719 VanDerWaalsContact C-N 3.32Å
720	A	88.9	Confident	87.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-59.5	155.5	169.5	0	0	0	0	0	111.1	N608 N685 I690 I718 T722	N608-A720 PolarHBondContact ND2-O 3.21Å; N685-A720 WeakPolarHBondContact O-CB 3.49Å; I690-A720 HydrophobicContact CD1-CB 3.62Å; I690-A720 HydrophobicContact CG1-CB 4.27Å; I718-A720 HydrophobicContact CG2-CB 4.09Å; I718-A720 PolarHBondContact O-N 3.03Å; A720-T722 PolarHBondContact O-N 3.43Å
721	F	94.3	Very high	87.6	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.022	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	111.4	169.7	-80.1	9	0	0	0	108.4	L578 I603 N608 R648 S688 L689 I690	L578-F721 HydrophobicContact CB-CD2 3.97Å; L578-F721 HydrophobicContact CB-CE2 3.79Å; I603-F721 HydrophobicContact CB-CD2 4.27Å; I603-F721 HydrophobicContact CB-CE2 4.35Å; I603-F721 HydrophobicContact CG2-CB 4.09Å; I603-F721 HydrophobicContact CG2-CD1 3.75Å; I603-F721 HydrophobicContact CG2-CD2 3.74Å; I603-F721 HydrophobicContact CG2-CE1 4.03Å; I603-F721 HydrophobicContact CG2-CE2 4.02Å; I603-F721 HydrophobicContact CG2-CG 3.59Å; I603-F721 HydrophobicContact CG2-CZ 4.16Å; N608-F721 HydrophobicContact CB-CD1 4.15Å; N608-F721 HydrophobicContact CB-CE1 4.43Å; N608-F721 WeakPolarHBondContact O-CA 3.49Å; R648-F721 HydrophobicContact CB-CD2 4.41Å; R648-F721 HydrophobicContact CB-CE2 3.71Å; R648-F721 HydrophobicContact CB-CZ 4.27Å; R648-F721 HydrophobicContact CG-CE2 4.4Å; R648-F721 VanDerWaalsContact NE-CZ 3.29Å; S688-F721 PolarHBondContact O-N 2.96Å; S688-F721 VanDerWaalsContact O-N 3.09Å; L689-F721 CarbonylContact C-O 3.54Å; L689-F721 WeakPolarHBondContact CA-O 3.48Å; L689-F721 HydrophobicContact CD1-CB 4.09Å; I690-F721 PolarHBondContact N-O 3.02Å
722	T	94.1	Very high	87.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	-173.3	-51.8	0	0	0	0	111	N608 V609 L610 I690 L715 A720	N608-T722 PolarHBondContact O-N 3.4Å; V609-T722 WeakPolarHBondContact CA-O 3.4Å; V609-T722 HydrophobicContact CG1-CG2 4.45Å; L610-T722 PolarHBondContact N-O 3.07Å; I690-T722 HydrophobicContact CB-CG2 4.28Å; I690-T722 HydrophobicContact CG2-CG2 4.25Å; I690-T722 CarbonylContact O-C 3.36Å; I690-T722 VanDerWaalsContact O-CA 3.32Å; I690-T722 WeakPolarHBondContact O-CA 3.47Å; L715-T722 HydrophobicContact CD1-CG2 3.89Å; A720-T722 PolarHBondContact O-N 3.43Å
723	L	94.5	Very high	86.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.2	166.9	-61.3	96.9	0	0	0	108.9	I603 L610 I612 Y623 L624 I627 L689 I690 L691 I692	I603-L723 HydrophobicContact CD1-CD1 3.53Å; I603-L723 HydrophobicContact CD1-CD2 3.97Å; I603-L723 HydrophobicContact CD1-CG 3.75Å; L610-L723 HydrophobicContact CB-CG 4.38Å; L610-L723 HydrophobicContact CD1-CD2 4.03Å; L610-L723 HydrophobicContact CD1-CG 4.49Å; I612-L723 HydrophobicContact CD1-CB 4.3Å; I612-L723 HydrophobicContact CD1-CD2 4.07Å; Y623-L723 HydrophobicContact CE1-CD2 4.12Å; L624-L723 HydrophobicContact CD2-CB 3.5Å; L624-L723 HydrophobicContact CD2-CD2 4.22Å; L624-L723 HydrophobicContact CD2-CG 4.46Å; I627-L723 HydrophobicContact CD1-CD2 3.45Å; I627-L723 VanDerWaalsContact CD1-CD2 3.45Å; L689-L723 HydrophobicContact CD1-CD1 3.95Å; I690-L723 PolarHBondContact O-N 3.49Å; L691-L723 WeakPolarHBondContact CA-O 3.3Å; L691-L723 HydrophobicContact CD2-CB 3.96Å; L691-L723 HydrophobicContact CD2-CD1 3.42Å; L691-L723 VanDerWaalsContact CD2-CD1 3.42Å; L691-L723 HydrophobicContact CD2-CG 4.24Å; I692-L723 PolarHBondContact N-O 2.79Å
724	F	93.6	Very high	86.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	103.2	-172	-161.4	-58.1	0	0	0	109	L610 I612 I692 L695 C712 L731	L610-F724 PolarHBondContact O-N 3.44Å; I612-F724 PolarHBondContact N-O 2.84Å; I692-F724 HydrophobicContact CB-CD2 4.18Å; I692-F724 HydrophobicContact CB-CE2 4.49Å; I692-F724 HydrophobicContact CB-CG 4.39Å; I692-F724 HydrophobicContact CD1-CD2 4.19Å; I692-F724 HydrophobicContact CD1-CE2 4.29Å; I692-F724 HydrophobicContact CG2-CD1 4.48Å; I692-F724 HydrophobicContact CG2-CD2 4.1Å; I692-F724 HydrophobicContact CG2-CE1 4.33Å; I692-F724 HydrophobicContact CG2-CE2 3.95Å; I692-F724 HydrophobicContact CG2-CG 4.38Å; I692-F724 HydrophobicContact CG2-CZ 4.07Å; I692-F724 WeakPolarHBondContact O-CA 3.34Å; L695-F724 HydrophobicContact CB-CE1 4.29Å; L695-F724 HydrophobicContact CB-CZ 3.85Å; L695-F724 HydrophobicContact CD2-CE2 4.01Å; L695-F724 HydrophobicContact CD2-CZ 3.8Å; L695-F724 HydrophobicContact CG-CZ 4.31Å; C712-F724 HydrophobicContact CB-CD2 4.42Å; C712-F724 HydrophobicContact CB-CE2 4.31Å; F724-L731 HydrophobicContact CD1-CD2 3.74Å; F724-L731 HydrophobicContact CE1-CD2 3.48Å; F724-L731 VanDerWaalsContact CE1-CD2 3.48Å; F724-L731 HydrophobicContact CG-CD2 4.39Å; F724-L731 HydrophobicContact CZ-CD2 3.9Å
725	T	91.6	Very high	86	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.4	173.5	39	0	0	0	0	110.5	I612 K620 L624 I692 D693 E694	I612-T725 HydrophobicContact CB-CG2 3.58Å; I612-T725 HydrophobicContact CD1-CG2 4.06Å; I612-T725 HydrophobicContact CG1-CG2 4.43Å; I612-T725 HydrophobicContact CG2-CG2 3.67Å; I612-T725 VanDerWaalsContact O-CA 3.29Å; I612-T725 WeakPolarHBondContact O-CA 3.46Å; K620-T725 HydrophobicContact CB-CG2 3.78Å; K620-T725 HydrophobicContact CD-CG2 4.13Å; K620-T725 HydrophobicContact CG-CG2 4.33Å; L624-T725 HydrophobicContact CD1-CG2 3.99Å; L624-T725 WeakPolarHBondContact CD1-OG1 3.41Å; L624-T725 HydrophobicContact CD2-CG2 4.24Å; L624-T725 HydrophobicContact CG-CG2 4Å; I692-T725 PolarHBondContact O-N 2.97Å; I692-T725 PolarHBondContact O-OG1 3.37Å; D693-T725 VanDerWaalsContact CA-OG1 3.28Å; D693-T725 WeakPolarHBondContact CA-OG1 3.29Å; D693-T725 VanDerWaalsContact CG-OG1 3.26Å; D693-T725 WeakPolarHBondContact OD1-CB 3.3Å; D693-T725 PolarHBondContact OD1-OG1 2.98Å; E694-T725 PolarHBondContact N-O 3.21Å
726	T	88.3	Confident	85.4	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.5	-173	-168.6	0	0	0	0	113.1	I611 I612 T613 F728 L731	I611-T726 HydrophobicContact CG2-CG2 4.03Å; I612-T726 PolarHBondContact O-N 2.63Å; T613-T726 HydrophobicContact CG2-CG2 4.04Å; T726-F728 PolarHBondContact OG1-N 2.73Å; T726-L731 HydrophobicContact CG2-CB 4.4Å; T726-L731 HydrophobicContact CG2-CD2 4.07Å
727	H	83.3	Confident	85	Confident	76 Å²	76	36.2 Å²	36.2	35%	0.352	19%	0.189	S	C	.	.	S	Bend	trans	-98.6	-16.8	164.4	-70.7	-67	0	0	0	112.9	N616 K620 E694 L729	N616-H727 PolarHBondContact OD1-CE1 3.31Å; N616-H727 PolarHBondContact OD1-NE2 3.07Å; K620-H727 PolarHBondContact NZ-CE1 3.05Å; K620-H727 VanDerWaalsContact NZ-CE1 3.29Å; K620-H727 PolarHBondContact NZ-NE2 3.14Å; E694-H727 VanDerWaalsContact CD-CD2 3.43Å; E694-H727 IonicContact OE1-CD2 3.13Å; E694-H727 IonicContact OE1-CE1 2.8Å; E694-H727 IonicContact OE1-NE2 3.62Å; E694-H727 PolarHBondContact OE1-NE2 3.41Å; E694-H727 IonicContact OE2-CD2 3.9Å; E694-H727 IonicContact OE2-NE2 2.72Å; E694-H727 PolarHBondContact OE2-NE2 3.05Å; H727-L729 PolarHBondContact O-N 2.89Å; H727-L729 VanDerWaalsContact O-N 3.13Å
728	F	83.1	Confident	84.8	Confident	29 Å²	29	36.1 Å²	36.1	13%	0.127	18%	0.176	C	C	.	.			trans	-76.5	99.3	-179.6	-56.8	-48	0	0	0	109.9	L695 I705 T726 E730 L731	L695-F728 WeakPolarHBondContact O-CE2 3.45Å; I705-F728 HydrophobicContact CD1-CD1 3.96Å; I705-F728 HydrophobicContact CD1-CE1 4.39Å; I705-F728 HydrophobicContact CD1-CG 4.4Å; I705-F728 HydrophobicContact CG1-CB 3.96Å; I705-F728 HydrophobicContact CG1-CD1 3.46Å; I705-F728 VanDerWaalsContact CG1-CD1 3.46Å; I705-F728 HydrophobicContact CG1-CD2 3.93Å; I705-F728 HydrophobicContact CG1-CE1 3.86Å; I705-F728 HydrophobicContact CG1-CE2 4.28Å; I705-F728 HydrophobicContact CG1-CG 3.51Å; I705-F728 HydrophobicContact CG1-CZ 4.25Å; T726-F728 PolarHBondContact OG1-N 2.73Å; F728-E730 VanDerWaalsContact CA-OE2 3.32Å; F728-E730 WeakPolarHBondContact CA-OE2 3.28Å; F728-E730 PolarHBondContact O-N 2.92Å; F728-L731 HydrophobicContact CB-CB 4.38Å; F728-L731 WeakPolarHBondContact O-CB 3.17Å; F728-L731 PolarHBondContact O-N 2.8Å; F728-L731 VanDerWaalsContact O-N 3.11Å
729	L	80.3	Confident	84.6	Confident	74 Å²	74	36.4 Å²	36.4	39%	0.387	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-62.5	-23.7	174.7	-60.6	-179.3	0	0	0	111.2	T613 H727 L731 C732	T613-L729 HydrophobicContact CG2-CD2 4.05Å; H727-L729 PolarHBondContact O-N 2.89Å; H727-L729 VanDerWaalsContact O-N 3.13Å; L729-L731 VanDerWaalsContact C-N 3.26Å; L729-L731 PolarHBondContact O-N 2.96Å; L729-C732 VanDerWaalsContact O-CB 3.31Å; L729-C732 WeakPolarHBondContact O-CB 3.15Å; L729-C732 PolarHBondContact O-N 2.86Å
730	E	78.4	Confident	84.6	Confident	69 Å²	69	31.3 Å²	31.3	32%	0.322	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-56.6	-38.6	173	-62	71	-152.6	0	0	111.6	I705 F728 C732 H733	I705-E730 HydrophobicContact CD1-CB 4.41Å; I705-E730 HydrophobicContact CD1-CG 4.03Å; I705-E730 HydrophobicContact CG2-CB 4.02Å; F728-E730 VanDerWaalsContact CA-OE2 3.32Å; F728-E730 WeakPolarHBondContact CA-OE2 3.28Å; F728-E730 PolarHBondContact O-N 2.92Å; E730-C732 PolarHBondContact O-N 2.84Å; E730-H733 PolarHBondContact O-N 3.16Å; E730-H733 PolarHBondContact O-ND1 2.54Å
731	L	82.6	Confident	84.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-66.5	-26.8	-178.9	-166.2	67.5	0	0	0	112.3	I611 Y709 F724 T726 F728 L729 H733 L734	I611-L731 HydrophobicContact CD1-CG 4.36Å; I611-L731 WeakPolarHBondContact CD1-O 3.33Å; Y709-L731 HydrophobicContact CD2-CD1 4.4Å; F724-L731 HydrophobicContact CD1-CD2 3.74Å; F724-L731 HydrophobicContact CE1-CD2 3.48Å; F724-L731 VanDerWaalsContact CE1-CD2 3.48Å; F724-L731 HydrophobicContact CG-CD2 4.39Å; F724-L731 HydrophobicContact CZ-CD2 3.9Å; T726-L731 HydrophobicContact CG2-CB 4.4Å; T726-L731 HydrophobicContact CG2-CD2 4.07Å; F728-L731 HydrophobicContact CB-CB 4.38Å; F728-L731 WeakPolarHBondContact O-CB 3.17Å; F728-L731 PolarHBondContact O-N 2.8Å; F728-L731 VanDerWaalsContact O-N 3.11Å; L729-L731 VanDerWaalsContact C-N 3.26Å; L729-L731 PolarHBondContact O-N 2.96Å; L731-H733 PolarHBondContact O-N 3.39Å; L731-H733 VanDerWaalsContact O-N 3.12Å; L731-L734 HydrophobicContact CD1-CD1 3.58Å; L731-L734 HydrophobicContact CD1-CG 4.47Å; L731-L734 HydrophobicContact CG-CD1 3.99Å; L731-L734 WeakPolarHBondContact O-CB 3.47Å; L731-L734 WeakPolarHBondContact O-CG 3.2Å; L731-L734 PolarHBondContact O-N 3.45Å; L731-L734 VanDerWaalsContact O-N 3.13Å
732	C	82.1	Confident	84.3	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.02	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.9	-14.4	-179.9	-56.7	0	0	0	0	113	T613 L729 E730 L734 D735 N743 L771	T613-C732 WeakPolarHBondContact CG2-SG 3.47Å; L729-C732 VanDerWaalsContact O-CB 3.31Å; L729-C732 WeakPolarHBondContact O-CB 3.15Å; L729-C732 PolarHBondContact O-N 2.86Å; E730-C732 PolarHBondContact O-N 2.84Å; C732-L734 VanDerWaalsContact C-N 3.25Å; C732-L734 PolarHBondContact O-N 2.88Å; C732-D735 WeakPolarHBondContact O-CB 3.33Å; C732-D735 PolarHBondContact O-N 2.97Å; C732-N743 WeakPolarHBondContact CA-OD1 3.48Å; C732-N743 WeakPolarHBondContact CB-OD1 3.44Å; C732-N743 PolarHBondContact O-ND2 2.88Å; C732-L771 HydrophobicContact CB-CD2 3.44Å; C732-L771 VanDerWaalsContact CB-CD2 3.44Å
733	H	79.4	Confident	84.1	Confident	80 Å²	80	32.1 Å²	32.1	37%	0.37	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-72.9	-13	174.7	-59.2	100.1	0	0	0	113.7	E730 L731 D735 A736	E730-H733 PolarHBondContact O-N 3.16Å; E730-H733 PolarHBondContact O-ND1 2.54Å; L731-H733 PolarHBondContact O-N 3.39Å; L731-H733 VanDerWaalsContact O-N 3.12Å; H733-D735 PolarHBondContact O-N 3.23Å; H733-D735 VanDerWaalsContact O-N 3.13Å; H733-A736 WeakPolarHBondContact O-CB 3.21Å; H733-A736 PolarHBondContact O-N 3.2Å
734	L	81.9	Confident	83.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-53.6	-30.1	168.7	-78	169.4	0	0	0	112	I611 Y709 C712 L731 C732 A736 L737 Y738 V741	I611-L734 HydrophobicContact CD1-CB 4Å; I611-L734 HydrophobicContact CD1-CD1 3.95Å; Y709-L734 HydrophobicContact CD2-CD1 4.45Å; Y709-L734 HydrophobicContact CD2-CD2 3.89Å; Y709-L734 HydrophobicContact CD2-CG 4.02Å; Y709-L734 HydrophobicContact CE1-CD2 4.08Å; Y709-L734 HydrophobicContact CE2-CD2 3.34Å; Y709-L734 HydrophobicContact CE2-CG 3.77Å; Y709-L734 HydrophobicContact CG-CD2 4.46Å; Y709-L734 VanDerWaalsContact CZ-CD2 3.44Å; C712-L734 HydrophobicContact CB-CD1 3.81Å; C712-L734 VanDerWaalsContact SG-CD1 3.6Å; L731-L734 HydrophobicContact CD1-CD1 3.58Å; L731-L734 HydrophobicContact CD1-CG 4.47Å; L731-L734 HydrophobicContact CG-CD1 3.99Å; L731-L734 WeakPolarHBondContact O-CB 3.47Å; L731-L734 WeakPolarHBondContact O-CG 3.2Å; L731-L734 PolarHBondContact O-N 3.45Å; L731-L734 VanDerWaalsContact O-N 3.13Å; C732-L734 VanDerWaalsContact C-N 3.25Å; C732-L734 PolarHBondContact O-N 2.88Å; L734-A736 PolarHBondContact O-N 2.9Å; L734-L737 PolarHBondContact O-N 3.3Å; L734-Y738 HydrophobicContact CD2-CD2 3.71Å; L734-Y738 HydrophobicContact CD2-CE2 3.73Å; L734-Y738 PolarHBondContact O-N 2.94Å; L734-V741 HydrophobicContact CB-CG2 4.37Å
735	D	80.4	Confident	83.7	Confident	25 Å²	25	34 Å²	34	13%	0.134	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-63	-21.2	176.8	-157.7	50.9	0	0	0	114.3	C732 H733 V741 N743 R820	C732-D735 WeakPolarHBondContact O-CB 3.33Å; C732-D735 PolarHBondContact O-N 2.97Å; H733-D735 PolarHBondContact O-N 3.23Å; H733-D735 VanDerWaalsContact O-N 3.13Å; D735-V741 HydrophobicContact CB-CG1 4.04Å; D735-V741 VanDerWaalsContact OD1-O 3.05Å; D735-N743 WeakPolarHBondContact CB-ND2 3.14Å; D735-N743 PolarHBondContact OD2-ND2 2.86Å; D735-R820 VanDerWaalsContact CG-NH2 3.32Å; D735-R820 IonicContact OD1-CZ 2.7Å; D735-R820 VanDerWaalsContact OD1-CZ 3.24Å; D735-R820 IonicContact OD1-NH1 2.72Å; D735-R820 PolarHBondContact OD1-NH1 3.45Å; D735-R820 IonicContact OD1-NH2 2.79Å; D735-R820 PolarHBondContact OD1-NH2 2.8Å; D735-R820 IonicContact OD2-CZ 3.89Å; D735-R820 IonicContact OD2-NH1 3.23Å; D735-R820 PolarHBondContact OD2-NH1 3.38Å; D735-R820 IonicContact OD2-NH2 2.69Å; D735-R820 PolarHBondContact OD2-NH2 3.13Å
736	A	75.1	Confident	83.6	Confident	40 Å²	40	34.2 Å²	34.2	33%	0.331	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-92	-8.5	173.6	0	0	0	0	0	113.2	H733 L734 M816	H733-A736 WeakPolarHBondContact O-CB 3.21Å; H733-A736 PolarHBondContact O-N 3.2Å; L734-A736 PolarHBondContact O-N 2.9Å; A736-M816 WeakPolarHBondContact O-CE 3.37Å
737	L	78.6	Confident	83.4	Confident	97 Å²	97	36.8 Å²	36.8	51%	0.508	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-34.3	-176.5	-60.9	173.7	0	0	0	112.1	Y709 L734	Y709-L737 WeakPolarHBondContact OH-CD1 3.05Å; L734-L737 PolarHBondContact O-N 3.3Å
738	Y	82.3	Confident	83.3	Confident	81 Å²	81	34.5 Å²	34.5	32%	0.318	17%	0.174	S	C	.	.			trans	-125.1	111.8	-174.5	-64.2	-72	0	0	0	111.2	E713 L716 L734 N740 V741	E713-Y738 PolarHBondContact OE1-OH 3.46Å; L716-Y738 HydrophobicContact CD1-CD1 4.42Å; L716-Y738 HydrophobicContact CD1-CD2 3.8Å; L716-Y738 HydrophobicContact CD1-CE2 4.34Å; L716-Y738 HydrophobicContact CD1-CG 3.84Å; L734-Y738 HydrophobicContact CD2-CD2 3.71Å; L734-Y738 HydrophobicContact CD2-CE2 3.73Å; L734-Y738 PolarHBondContact O-N 2.94Å; Y738-N740 PolarHBondContact O-N 3.26Å; Y738-V741 WeakPolarHBondContact O-CB 3.49Å; Y738-V741 PolarHBondContact O-N 2.62Å
739	L	78.8	Confident	83	Confident	38 Å²	38	38.2 Å²	38.2	20%	0.199	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.1	-176	-49.6	-176.4	0	0	0	114.2	M816 Q819 R820 Y823 H824	L739-M816 HydrophobicContact CD2-CE 4.24Å; L739-Q819 HydrophobicContact CD1-CB 4.38Å; L739-R820 HydrophobicContact CD2-CB 3.95Å; L739-Y823 HydrophobicContact CB-CD1 3.69Å; L739-Y823 HydrophobicContact CB-CE1 4.22Å; L739-Y823 HydrophobicContact CB-CG 4.07Å; L739-Y823 HydrophobicContact CD1-CD2 4.47Å; L739-Y823 HydrophobicContact CD1-CG 4.05Å; L739-H824 PolarHBondContact O-NE2 3.1Å
740	N	84.2	Confident	82.5	Confident	38 Å²	38	38 Å²	38	20%	0.203	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-7.4	178.9	-78.6	49.2	0	0	0	114.6	E605 S607 N608 V609 L716 Y738 Y823	E605-N740 PolarHBondContact O-ND2 2.58Å; S607-N740 CarbonylContact C-O 3.56Å; S607-N740 VanDerWaalsContact CA-O 3.31Å; S607-N740 WeakPolarHBondContact CA-O 3.48Å; N608-N740 PolarHBondContact N-O 2.69Å; N608-N740 WeakPolarHBondContact OD1-CB 3.41Å; N608-N740 PolarHBondContact OD1-ND2 3.23Å; V609-N740 PolarHBondContact N-O 2.62Å; L716-N740 HydrophobicContact CD2-CB 4.16Å; Y738-N740 PolarHBondContact O-N 3.26Å; N740-Y823 VanDerWaalsContact OD1-CE1 3.25Å; N740-Y823 WeakPolarHBondContact OD1-CE1 3.46Å; N740-Y823 PolarHBondContact OD1-OH 3.27Å; N740-Y823 VanDerWaalsContact OD1-OH 3.06Å
741	V	87.7	Confident	81.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.4	176.2	176.7	0	0	0	0	109.5	V609 I611 L716 L734 D735 Y738 R820	V609-V741 HydrophobicContact CB-CG2 4.46Å; V609-V741 WeakPolarHBondContact O-CA 3.48Å; I611-V741 HydrophobicContact CD1-CG1 3.6Å; I611-V741 HydrophobicContact CG1-CG1 3.98Å; L716-V741 HydrophobicContact CD1-CG2 3.96Å; L716-V741 HydrophobicContact CD2-CG2 3.88Å; L716-V741 HydrophobicContact CG-CG2 4.48Å; L734-V741 HydrophobicContact CB-CG2 4.37Å; D735-V741 HydrophobicContact CB-CG1 4.04Å; D735-V741 VanDerWaalsContact OD1-O 3.05Å; Y738-V741 WeakPolarHBondContact O-CB 3.49Å; Y738-V741 PolarHBondContact O-N 2.62Å; V741-R820 PolarHBondContact O-NH2 3.35Å
742	E	89.6	Confident	80.8	Confident	18 Å²	18	45.7 Å²	45.7	8%	0.084	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.2	167.6	-179.9	155.7	-118.9	0	0	111	V609 L610 I611 M744 R769	V609-E742 PolarHBondContact O-N 3.16Å; L610-E742 WeakPolarHBondContact CA-O 3.42Å; L610-E742 HydrophobicContact CD2-CB 3.84Å; L610-E742 HydrophobicContact CD2-CG 4.35Å; I611-E742 PolarHBondContact N-O 3.49Å; E742-M744 HydrophobicContact CG-SD 4.29Å; E742-R769 VanDerWaalsContact CD-NH2 3.32Å; E742-R769 IonicContact OE1-CZ 3.65Å; E742-R769 IonicContact OE1-NH1 3.51Å; E742-R769 PolarHBondContact OE1-NH1 3Å; E742-R769 IonicContact OE1-NH2 3.51Å; E742-R769 PolarHBondContact OE1-NH2 3.33Å; E742-R769 IonicContact OE2-CZ 2.72Å; E742-R769 IonicContact OE2-NH1 2.66Å; E742-R769 PolarHBondContact OE2-NH1 3.13Å; E742-R769 IonicContact OE2-NH2 3.75Å; E742-R769 PolarHBondContact OE2-NH2 2.84Å
743	N	90.2	Very high	79.4	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.2	175.1	-78.1	-43.3	0	0	0	111.7	C732 D735 G770	C732-N743 WeakPolarHBondContact CA-OD1 3.48Å; C732-N743 WeakPolarHBondContact CB-OD1 3.44Å; C732-N743 PolarHBondContact O-ND2 2.88Å; D735-N743 WeakPolarHBondContact CB-ND2 3.14Å; D735-N743 PolarHBondContact OD2-ND2 2.86Å; N743-G770 PolarHBondContact O-N 2.89Å
744	M	90.3	Very high	78	Confident	15 Å²	15	52.6 Å²	52.6	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.6	176.2	-57.6	-68.9	-67.9	0	0	110.2	I611 I612 T613 E742 L767 S768 R769 G770	I611-M744 PolarHBondContact O-N 3.49Å; I612-M744 WeakPolarHBondContact CA-O 3.43Å; I612-M744 HydrophobicContact CG1-CB 4.22Å; T613-M744 PolarHBondContact N-O 3.23Å; T613-M744 PolarHBondContact OG1-O 2.93Å; E742-M744 HydrophobicContact CG-SD 4.29Å; M744-L767 HydrophobicContact CB-CD1 4.13Å; M744-L767 HydrophobicContact CB-CD2 4.24Å; M744-L767 HydrophobicContact CB-CG 4.25Å; M744-L767 HydrophobicContact CE-CD2 3.57Å; M744-L767 HydrophobicContact CE-CG 3.84Å; M744-S768 CarbonylContact C-O 3.56Å; M744-S768 VanDerWaalsContact CA-O 3.3Å; M744-S768 WeakPolarHBondContact CA-O 3.48Å; M744-S768 WeakPolarHBondContact CE-O 3.36Å; M744-R769 HydrophobicContact CE-CG 3.93Å; M744-R769 HydrophobicContact SD-CB 4.27Å; M744-R769 HydrophobicContact SD-CG 3.51Å; M744-R769 VanDerWaalsContact SD-CG 3.51Å; M744-G770 CarbonylContact C-O 3.49Å
745	H	90.4	Very high	76.6	Confident	24 Å²	24	57.1 Å²	57.1	11%	0.111	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	160.3	171.4	74.1	-86	0	0	0	115.2	T613 L767 S768 G770 L771 T772	T613-H745 WeakPolarHBondContact O-CA 3.47Å; T613-H745 WeakPolarHBondContact O-CB 3.35Å; T613-H745 WeakPolarHBondContact OG1-CB 3.47Å; H745-L767 CarbonylContact O-C 3.52Å; H745-L767 WeakPolarHBondContact O-CA 3.47Å; H745-S768 PolarHBondContact CE1-OG 3Å; H745-S768 PolarHBondContact N-O 3.33Å; H745-S768 PolarHBondContact ND1-OG 2.83Å; H745-S768 PolarHBondContact NE2-OG 3.28Å; H745-S768 PolarHBondContact O-N 3.15Å; H745-S768 PolarHBondContact O-OG 3.11Å; H745-G770 PolarHBondContact ND1-O 3.16Å; H745-L771 PolarHBondContact CE1-O 3.27Å; H745-L771 PolarHBondContact ND1-O 2.83Å; H745-T772 WeakPolarHBondContact CB-OG1 3.34Å
746	F	88.6	Confident	75.2	Confident	4 Å²	4	65 Å²	65	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128	174.2	-77	-86	0	0	0	112.5	I612 T613 S618 K620 Y623 K766 L767	I612-F746 HydrophobicContact CG2-CD2 4.22Å; I612-F746 HydrophobicContact CG2-CE2 3.83Å; T613-F746 PolarHBondContact O-N 2.79Å; S618-F746 VanDerWaalsContact O-CD1 3.3Å; S618-F746 WeakPolarHBondContact O-CD1 3.29Å; K620-F746 HydrophobicContact CB-CE2 4.44Å; K620-F746 HydrophobicContact CG-CD2 4.08Å; K620-F746 HydrophobicContact CG-CE2 4.11Å; Y623-F746 HydrophobicContact CD1-CZ 4.46Å; Y623-F746 HydrophobicContact CG-CZ 4.06Å; F746-K766 WeakPolarHBondContact CA-O 3.41Å; F746-L767 HydrophobicContact CD1-CD1 4.39Å; F746-L767 HydrophobicContact CD2-CD1 3.8Å; F746-L767 HydrophobicContact CE1-CB 4.3Å; F746-L767 HydrophobicContact CE1-CD1 4.22Å; F746-L767 HydrophobicContact CE2-CD1 3.58Å; F746-L767 HydrophobicContact CG-CD1 4.2Å; F746-L767 HydrophobicContact CZ-CD1 3.81Å
747	E	84.3	Confident	74	Confident	56 Å²	56	71.5 Å²	71.5	26%	0.262	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.1	178.2	-74.9	172.7	-156.8	0	0	112.1	T764 K766 S768	E747-T764 HydrophobicContact CB-CG2 4.3Å; E747-T764 VanDerWaalsContact CB-OG1 3.31Å; E747-T764 WeakPolarHBondContact CB-OG1 3.39Å; E747-T764 PolarHBondContact O-N 2.75Å; E747-T764 PolarHBondContact O-OG1 3.36Å; E747-K766 PolarHBondContact N-O 3.27Å; E747-K766 IonicContact OE1-NZ 3.7Å; E747-K766 PolarHBondContact OE1-NZ 3.35Å; E747-K766 IonicContact OE2-NZ 3.18Å; E747-K766 PolarHBondContact OE2-NZ 2.94Å; E747-S768 VanDerWaalsContact OE1-CB 3.29Å; E747-S768 WeakPolarHBondContact OE1-CB 3.42Å
748	V	81.3	Confident	72.8	Confident	27 Å²	27	72.2 Å²	72.2	16%	0.164	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.2	-178.2	-176.8	0	0	0	0	108.8	P615 I761 E774	P615-V748 HydrophobicContact CG-CG2 3.63Å; V748-I761 HydrophobicContact CG1-CG2 3.38Å; V748-E774 HydrophobicContact CB-CG 4.38Å
749	Q	76	Confident	71.8	Confident	108 Å²	108	72.7 Å²	72.7	51%	0.505	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.4	176.8	-69.9	179.8	13.5	0	0	111.2	L762 T764	Q749-L762 PolarHBondContact N-O 2.72Å; Q749-L762 PolarHBondContact O-N 3.11Å; Q749-T764 HydrophobicContact CB-CG2 4.33Å; Q749-T764 HydrophobicContact CG-CG2 3.65Å
750	H	70.4	Confident	71	Confident	69 Å²	69	72.9 Å²	72.9	32%	0.319	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.9	175.4	-58.4	-69.5	0	0	0	109.9	E774 K780	H750-E774 IonicContact CD2-OE1 2.85Å; H750-E774 IonicContact CE1-OE1 3.8Å; H750-E774 IonicContact CE1-OE2 2.84Å; H750-E774 PolarHBondContact CE1-OE2 2.9Å; H750-E774 VanDerWaalsContact CE1-OE2 3.28Å; H750-E774 IonicContact NE2-OE1 3.62Å; H750-E774 PolarHBondContact NE2-OE1 3.32Å; H750-E774 IonicContact NE2-OE2 3.28Å; H750-E774 PolarHBondContact NE2-OE2 2.88Å; H750-K780 PolarHBondContact CE1-NZ 3.41Å; H750-K780 PolarHBondContact NE2-NZ 3.03Å
751	V	66.8	Low	70.3	Confident	71 Å²	71	72.5 Å²	72.5	43%	0.43	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.4	177.2	-177.6	0	0	0	0	109.2	N753 A760 L762	V751-N753 PolarHBondContact O-N 3.05Å; V751-A760 PolarHBondContact N-O 2.98Å; V751-A760 WeakPolarHBondContact O-CB 3.3Å; V751-A760 PolarHBondContact O-N 3.4Å; V751-L762 HydrophobicContact CG2-CB 4.13Å; V751-L762 HydrophobicContact CG2-CD1 4.28Å
752	K	58.2	Low	69.8	Low	160 Å²	160	76.7 Å²	76.7	70%	0.696	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	105.5	173.8	-85.5	175.4	177.5	-178	0	110.4	T754 D759	K752-T754 PolarHBondContact O-N 3.48Å; K752-D759 WeakPolarHBondContact CE-OD1 3.31Å; K752-D759 WeakPolarHBondContact CG-OD1 3.24Å
753	N	53.1	Low	69.3	Low	78 Å²	78	78.1 Å²	78.1	42%	0.417	40%	0.4	S	S	.	.			trans	-80.1	105.8	-178.6	-166.5	-33.7	0	0	0	110.5	V751 S755 R756	V751-N753 PolarHBondContact O-N 3.05Å; N753-S755 PolarHBondContact O-N 2.67Å; N753-S755 PolarHBondContact OD1-N 3.01Å; N753-S755 PolarHBondContact OD1-OG 3.01Å; N753-R756 CarbonylContact O-C 3.58Å; N753-R756 PolarHBondContact O-N 3.27Å; N753-R756 VanDerWaalsContact O-N 3.11Å
754	T	50.2	Low	68.9	Low	150 Å²	150	79 Å²	79	92%	0.92	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.6	-175.6	33.1	0	0	0	0	115.2	K752	K752-T754 PolarHBondContact O-N 3.48Å
755	S	53	Low	68.7	Low	95 Å²	95	83.1 Å²	83.1	66%	0.664	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-18.9	176.6	69.5	0	0	0	0	114.7	N753	N753-S755 PolarHBondContact O-N 2.67Å; N753-S755 PolarHBondContact OD1-N 3.01Å; N753-S755 PolarHBondContact OD1-OG 3.01Å
756	R	49.3	Very low	68.5	Low	192 Å²	192	86.6 Å²	86.6	73%	0.725	44%	0.436	S	S	*	.	S	Bend	trans	-152.3	120	-179.5	-66.5	-178.2	177.7	177.7	-1.4	108.3	N753 K758	N753-R756 CarbonylContact O-C 3.58Å; N753-R756 PolarHBondContact O-N 3.27Å; N753-R756 VanDerWaalsContact O-N 3.11Å; R756-K758 PolarHBondContact O-N 3.31Å
757	N	51.8	Low	68.6	Low	175 Å²	175	87.3 Å²	87.3	94%	0.936	44%	0.439	S	S	*	.	S	Bend	trans	-63.3	77.8	177.3	-76.1	-11.4	0	0	0	112.3
758	K	53.4	Low	68.7	Low	113 Å²	113	85.6 Å²	85.6	49%	0.491	43%	0.434	S	S	.	.			trans	-143	131.3	170.6	-77.1	-155.7	170.4	-151.9	0	107.4	R756 A760 E783	R756-K758 PolarHBondContact O-N 3.31Å; K758-A760 PolarHBondContact O-N 3.04Å; K758-E783 PolarHBondContact NZ-O 2.82Å
759	D	59.8	Low	68.9	Low	90 Å²	90	90.4 Å²	90.4	48%	0.481	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	116.2	168.4	-68.5	-25.4	0	0	0	107.9	K752	K752-D759 WeakPolarHBondContact CE-OD1 3.31Å; K752-D759 WeakPolarHBondContact CG-OD1 3.24Å
760	A	62.8	Low	69.2	Low	43 Å²	43	86.7 Å²	86.7	36%	0.355	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.6	177.5	0	0	0	0	0	109.7	V751 K758 L762	V751-A760 PolarHBondContact N-O 2.98Å; V751-A760 WeakPolarHBondContact O-CB 3.3Å; V751-A760 PolarHBondContact O-N 3.4Å; K758-A760 PolarHBondContact O-N 3.04Å; A760-L762 PolarHBondContact O-N 3.17Å
761	I	69.8	Low	69.5	Low	29 Å²	29	88.2 Å²	88.2	15%	0.149	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123	177.6	-49.3	178.5	0	0	0	109	V748 Y763 Y777 K780	V748-I761 HydrophobicContact CG1-CG2 3.38Å; I761-Y763 HydrophobicContact CG2-CD1 4.41Å; I761-Y763 HydrophobicContact CG2-CE1 3.84Å; I761-Y777 HydrophobicContact CD1-CD2 3.92Å; I761-Y777 HydrophobicContact CD1-CE2 3.72Å; I761-Y777 HydrophobicContact CG2-CE2 4.3Å; I761-K780 HydrophobicContact CD1-CB 3.76Å
762	L	76.1	Confident	69.7	Low	88 Å²	88	86 Å²	86	46%	0.461	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.7	173.7	-171	147.6	0	0	0	109.2	Q749 V751 A760 T764	Q749-L762 PolarHBondContact N-O 2.72Å; Q749-L762 PolarHBondContact O-N 3.11Å; V751-L762 HydrophobicContact CG2-CB 4.13Å; V751-L762 HydrophobicContact CG2-CD1 4.28Å; A760-L762 PolarHBondContact O-N 3.17Å; L762-T764 PolarHBondContact O-N 3.03Å
763	Y	79.8	Confident	69.8	Low	48 Å²	48	87 Å²	87	19%	0.188	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.9	174.8	-45.6	-69.4	0	0	0	108.7	P615 I761 Y765 Y777	P615-Y763 HydrophobicContact CG-CD1 4.46Å; P615-Y763 HydrophobicContact CG-CE1 4.45Å; I761-Y763 HydrophobicContact CG2-CD1 4.41Å; I761-Y763 HydrophobicContact CG2-CE1 3.84Å; Y763-Y765 VanDerWaalsContact C-N 3.3Å; Y763-Y765 WeakPolarHBondContact O-CD2 3.46Å; Y763-Y765 WeakPolarHBondContact O-CE2 3.12Å; Y763-Y777 AromaticContact CE1-CE2 3.92Å; Y763-Y777 HydrophobicContact CE1-CE2 3.92Å; Y763-Y777 PolarHBondContact OH-OH 2.93Å
764	T	81.4	Confident	70.3	Confident	23 Å²	23	85.7 Å²	85.7	14%	0.141	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-16.6	177.5	69.2	0	0	0	0	112.5	E747 Q749 L762 K766	E747-T764 HydrophobicContact CB-CG2 4.3Å; E747-T764 VanDerWaalsContact CB-OG1 3.31Å; E747-T764 WeakPolarHBondContact CB-OG1 3.39Å; E747-T764 PolarHBondContact O-N 2.75Å; E747-T764 PolarHBondContact O-OG1 3.36Å; Q749-T764 HydrophobicContact CB-CG2 4.33Å; Q749-T764 HydrophobicContact CG-CG2 3.65Å; L762-T764 PolarHBondContact O-N 3.03Å; T764-K766 PolarHBondContact O-N 3.09Å; T764-K766 VanDerWaalsContact O-N 3.09Å; T764-K766 WeakPolarHBondContact OG1-CB 3.46Å; T764-K766 PolarHBondContact OG1-N 3.11Å; T764-K766 VanDerWaalsContact OG1-N 3.17Å
765	Y	86	Confident	70.8	Confident	103 Å²	103	84.2 Å²	84.2	40%	0.404	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	15.4	-169.9	-49.4	-75.8	0	0	0	114.6	V597 N599 M617 S618 Y763	V597-Y765 HydrophobicContact CG2-CD2 4.22Å; N599-Y765 PolarHBondContact ND2-O 3.48Å; N599-Y765 PolarHBondContact OD1-O 3.15Å; M617-Y765 WeakPolarHBondContact O-CE1 3.06Å; S618-Y765 WeakPolarHBondContact O-CD1 3.21Å; Y763-Y765 VanDerWaalsContact C-N 3.3Å; Y763-Y765 WeakPolarHBondContact O-CD2 3.46Å; Y763-Y765 WeakPolarHBondContact O-CE2 3.12Å
766	K	87.3	Confident	71.3	Confident	97 Å²	97	82.5 Å²	82.5	42%	0.422	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.5	-178.3	175.3	166.4	165.3	-80.9	0	111.1	F746 E747 T764	F746-K766 WeakPolarHBondContact CA-O 3.41Å; E747-K766 PolarHBondContact N-O 3.27Å; E747-K766 IonicContact OE1-NZ 3.7Å; E747-K766 PolarHBondContact OE1-NZ 3.35Å; E747-K766 IonicContact OE2-NZ 3.18Å; E747-K766 PolarHBondContact OE2-NZ 2.94Å; T764-K766 PolarHBondContact O-N 3.09Å; T764-K766 VanDerWaalsContact O-N 3.09Å; T764-K766 WeakPolarHBondContact OG1-CB 3.46Å; T764-K766 PolarHBondContact OG1-N 3.11Å; T764-K766 VanDerWaalsContact OG1-N 3.17Å
767	L	89.5	Confident	72.2	Confident	18 Å²	18	75 Å²	75	9%	0.094	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.3	178	-166.3	78.1	0	0	0	111.2	N599 I612 Y623 M744 H745 F746	N599-L767 WeakPolarHBondContact OD1-CB 3.47Å; N599-L767 PolarHBondContact OD1-N 3.3Å; I612-L767 HydrophobicContact CG2-CD1 4.03Å; Y623-L767 HydrophobicContact CE1-CD2 3.79Å; Y623-L767 HydrophobicContact CE2-CD2 3.96Å; Y623-L767 VanDerWaalsContact CZ-CD2 3.45Å; Y623-L767 WeakPolarHBondContact OH-CD2 3.45Å; M744-L767 HydrophobicContact CB-CD1 4.13Å; M744-L767 HydrophobicContact CB-CD2 4.24Å; M744-L767 HydrophobicContact CB-CG 4.25Å; M744-L767 HydrophobicContact CE-CD2 3.57Å; M744-L767 HydrophobicContact CE-CG 3.84Å; H745-L767 CarbonylContact O-C 3.52Å; H745-L767 WeakPolarHBondContact O-CA 3.47Å; F746-L767 HydrophobicContact CD1-CD1 4.39Å; F746-L767 HydrophobicContact CD2-CD1 3.8Å; F746-L767 HydrophobicContact CE1-CB 4.3Å; F746-L767 HydrophobicContact CE1-CD1 4.22Å; F746-L767 HydrophobicContact CE2-CD1 3.58Å; F746-L767 HydrophobicContact CG-CD1 4.2Å; F746-L767 HydrophobicContact CZ-CD1 3.81Å
768	S	87.7	Confident	73.1	Confident	21 Å²	21	69 Å²	69	15%	0.147	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	169.9	179.1	79.2	0	0	0	0	111.5	M744 H745 E747	M744-S768 CarbonylContact C-O 3.56Å; M744-S768 VanDerWaalsContact CA-O 3.3Å; M744-S768 WeakPolarHBondContact CA-O 3.48Å; M744-S768 WeakPolarHBondContact CE-O 3.36Å; H745-S768 PolarHBondContact CE1-OG 3Å; H745-S768 PolarHBondContact N-O 3.33Å; H745-S768 PolarHBondContact ND1-OG 2.83Å; H745-S768 PolarHBondContact NE2-OG 3.28Å; H745-S768 PolarHBondContact O-N 3.15Å; H745-S768 PolarHBondContact O-OG 3.11Å; E747-S768 VanDerWaalsContact OE1-CB 3.29Å; E747-S768 WeakPolarHBondContact OE1-CB 3.42Å
769	R	85.1	Confident	74.1	Confident	127 Å²	127	65.1 Å²	65.1	48%	0.479	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143	-178.5	-78.2	166.4	167.2	-95.1	-27.2	110.9	E742 M744	E742-R769 VanDerWaalsContact CD-NH2 3.32Å; E742-R769 IonicContact OE1-CZ 3.65Å; E742-R769 IonicContact OE1-NH1 3.51Å; E742-R769 PolarHBondContact OE1-NH1 3Å; E742-R769 IonicContact OE1-NH2 3.51Å; E742-R769 PolarHBondContact OE1-NH2 3.33Å; E742-R769 IonicContact OE2-CZ 2.72Å; E742-R769 IonicContact OE2-NH1 2.66Å; E742-R769 PolarHBondContact OE2-NH1 3.13Å; E742-R769 IonicContact OE2-NH2 3.75Å; E742-R769 PolarHBondContact OE2-NH2 2.84Å; M744-R769 HydrophobicContact CE-CG 3.93Å; M744-R769 HydrophobicContact SD-CB 4.27Å; M744-R769 HydrophobicContact SD-CG 3.51Å; M744-R769 VanDerWaalsContact SD-CG 3.51Å
770	G	81.8	Confident	74.5	Confident	30 Å²	30	63.5 Å²	63.5	31%	0.309	32%	0.324	S	S	.	.	S	Bend	trans	96.5	-174.6	178.5	0	0	0	0	0	113.9	N743 M744 H745	N743-G770 PolarHBondContact O-N 2.89Å; M744-G770 CarbonylContact C-O 3.49Å; H745-G770 PolarHBondContact ND1-O 3.16Å
771	L	76.1	Confident	74.9	Confident	101 Å²	101	63.1 Å²	63.1	53%	0.529	32%	0.321	S	S	.	.			trans	-75.8	148.8	-177.4	-70.2	144.3	0	0	0	112.3	C732 H745 E773	C732-L771 HydrophobicContact CB-CD2 3.44Å; C732-L771 VanDerWaalsContact CB-CD2 3.44Å; H745-L771 PolarHBondContact CE1-O 3.27Å; H745-L771 PolarHBondContact ND1-O 2.83Å; L771-E773 PolarHBondContact O-N 3.02Å
772	T	70.7	Confident	75	Confident	24 Å²	24	62.7 Å²	62.7	15%	0.147	32%	0.321	C	S	.	.			trans	-65.3	120.7	173.7	-58	0	0	0	0	111.1	T613 H745 E774	T613-T772 PolarHBondContact OG1-OG1 2.96Å; H745-T772 WeakPolarHBondContact CB-OG1 3.34Å; T772-E774 VanDerWaalsContact C-N 3.31Å; T772-E774 HydrophobicContact CG2-CB 3.85Å
773	E	62.1	Low	74.9	Confident	182 Å²	182	62.2 Å²	62.2	85%	0.85	32%	0.317	S	S	*	.			trans	-70.2	-29	174.3	-60.3	-169.3	158.9	0	0	112.7	L771 K775	L771-E773 PolarHBondContact O-N 3.02Å; E773-K775 PolarHBondContact O-N 3.47Å
774	E	62.2	Low	74.3	Confident	50 Å²	50	62.8 Å²	62.8	23%	0.234	33%	0.332	C	S	.	.			trans	-72.9	79.6	-176.3	-85.6	-69.7	125.4	0	0	114.1	V748 H750 T772 K780	V748-E774 HydrophobicContact CB-CG 4.38Å; H750-E774 IonicContact CD2-OE1 2.85Å; H750-E774 IonicContact CE1-OE1 3.8Å; H750-E774 IonicContact CE1-OE2 2.84Å; H750-E774 PolarHBondContact CE1-OE2 2.9Å; H750-E774 VanDerWaalsContact CE1-OE2 3.28Å; H750-E774 IonicContact NE2-OE1 3.62Å; H750-E774 PolarHBondContact NE2-OE1 3.32Å; H750-E774 IonicContact NE2-OE2 3.28Å; H750-E774 PolarHBondContact NE2-OE2 2.88Å; T772-E774 VanDerWaalsContact C-N 3.31Å; T772-E774 HydrophobicContact CG2-CB 3.85Å; E774-K780 IonicContact OE1-NZ 2.77Å; E774-K780 PolarHBondContact OE1-NZ 3.31Å; E774-K780 WeakPolarHBondContact OE2-CE 3.36Å; E774-K780 IonicContact OE2-NZ 3.24Å; E774-K780 PolarHBondContact OE2-NZ 2.99Å
775	K	61.2	Low	73.6	Confident	119 Å²	119	64 Å²	64	52%	0.517	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	148.1	168.5	-63.2	-174.2	179.5	-174.2	0	111.7	E773 Y777	E773-K775 PolarHBondContact O-N 3.47Å; K775-Y777 VanDerWaalsContact C-N 3.32Å; K775-Y777 PolarHBondContact O-N 2.92Å
776	N	63.5	Low	73.1	Confident	59 Å²	59	65.4 Å²	65.4	32%	0.316	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	27.5	174.6	-54.1	0.9	0	0	0	115.4	G778 L779 K780 T799	N776-G778 PolarHBondContact O-N 3.13Å; N776-G778 VanDerWaalsContact O-N 3.14Å; N776-L779 HydrophobicContact CB-CD1 4.2Å; N776-L779 HydrophobicContact CB-CG 4.44Å; N776-L779 WeakPolarHBondContact O-CB 3.45Å; N776-L779 PolarHBondContact O-N 3.12Å; N776-K780 PolarHBondContact O-N 3.38Å; N776-T799 WeakPolarHBondContact ND2-CG2 3.37Å; N776-T799 WeakPolarHBondContact OD1-CG2 3.4Å
777	Y	68.4	Low	72.6	Confident	34 Å²	34	65.1 Å²	65.1	13%	0.133	37%	0.369	C	S	.	.	H	α-helix	trans	-47.7	-41.8	176	163	-97	0	0	0	113.9	P615 N616 I761 Y763 K775 L779 K780 A781	P615-Y777 HydrophobicContact CB-CD1 3.41Å; P615-Y777 VanDerWaalsContact CB-CD1 3.41Å; P615-Y777 HydrophobicContact CB-CD2 3.68Å; P615-Y777 HydrophobicContact CB-CE1 3.28Å; P615-Y777 HydrophobicContact CB-CE2 3.58Å; P615-Y777 HydrophobicContact CB-CG 3.59Å; P615-Y777 HydrophobicContact CG-CD2 4.24Å; P615-Y777 HydrophobicContact CG-CE2 4.23Å; P615-Y777 HydrophobicContact CG-CG 4.44Å; N616-Y777 PolarHBondContact O-OH 2.99Å; N616-Y777 VanDerWaalsContact O-OH 3.13Å; I761-Y777 HydrophobicContact CD1-CD2 3.92Å; I761-Y777 HydrophobicContact CD1-CE2 3.72Å; I761-Y777 HydrophobicContact CG2-CE2 4.3Å; Y763-Y777 AromaticContact CE1-CE2 3.92Å; Y763-Y777 HydrophobicContact CE1-CE2 3.92Å; Y763-Y777 PolarHBondContact OH-OH 2.93Å; K775-Y777 VanDerWaalsContact C-N 3.32Å; K775-Y777 PolarHBondContact O-N 2.92Å; Y777-L779 PolarHBondContact O-N 2.96Å; Y777-K780 CarbonylContact O-C 3.49Å; Y777-K780 WeakPolarHBondContact O-CA 3.47Å; Y777-K780 WeakPolarHBondContact O-CB 3.31Å; Y777-K780 PolarHBondContact O-N 3.13Å; Y777-A781 HydrophobicContact CE1-CB 4.35Å; Y777-A781 HydrophobicContact CE2-CB 4.47Å; Y777-A781 PolarHBondContact O-N 3.42Å
778	G	70.1	Confident	72.4	Confident	51 Å²	51	67.5 Å²	67.5	53%	0.526	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-32.5	179.8	0	0	0	0	0	113.4	N776 A782	N776-G778 PolarHBondContact O-N 3.13Å; N776-G778 VanDerWaalsContact O-N 3.14Å; G778-A782 PolarHBondContact O-N 3.5Å; G778-A782 VanDerWaalsContact O-N 3.1Å
779	L	73.8	Confident	72	Confident	31 Å²	31	71.1 Å²	71.1	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-73.5	-40.8	172.7	-58.2	-176	0	0	0	111.4	N776 Y777 A781 A782 E783 V792 A795 R796	N776-L779 HydrophobicContact CB-CD1 4.2Å; N776-L779 HydrophobicContact CB-CG 4.44Å; N776-L779 WeakPolarHBondContact O-CB 3.45Å; N776-L779 PolarHBondContact O-N 3.12Å; Y777-L779 PolarHBondContact O-N 2.96Å; L779-A781 VanDerWaalsContact C-N 3.3Å; L779-A781 PolarHBondContact O-N 3Å; L779-A782 CarbonylContact O-C 3.3Å; L779-A782 WeakPolarHBondContact O-CA 3.39Å; L779-A782 VanDerWaalsContact O-CB 3.29Å; L779-A782 WeakPolarHBondContact O-CB 3.35Å; L779-A782 PolarHBondContact O-N 3.25Å; L779-E783 WeakPolarHBondContact O-CG 3.3Å; L779-E783 PolarHBondContact O-N 3Å; L779-V792 HydrophobicContact CB-CG1 4.27Å; L779-A795 HydrophobicContact CD2-CB 3.8Å; L779-R796 VanDerWaalsContact CD1-CA 3.5Å; L779-R796 HydrophobicContact CD1-CB 3.91Å; L779-R796 HydrophobicContact CD1-CG 4.39Å
780	K	70	Confident	71.9	Confident	56 Å²	56	68.2 Å²	68.2	24%	0.243	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-36.8	174.8	-58.7	-173.9	179.8	-177.8	0	112	H750 I761 E774 N776 Y777 A782 E783 A784	H750-K780 PolarHBondContact CE1-NZ 3.41Å; H750-K780 PolarHBondContact NE2-NZ 3.03Å; I761-K780 HydrophobicContact CD1-CB 3.76Å; E774-K780 IonicContact OE1-NZ 2.77Å; E774-K780 PolarHBondContact OE1-NZ 3.31Å; E774-K780 WeakPolarHBondContact OE2-CE 3.36Å; E774-K780 IonicContact OE2-NZ 3.24Å; E774-K780 PolarHBondContact OE2-NZ 2.99Å; N776-K780 PolarHBondContact O-N 3.38Å; Y777-K780 CarbonylContact O-C 3.49Å; Y777-K780 WeakPolarHBondContact O-CA 3.47Å; Y777-K780 WeakPolarHBondContact O-CB 3.31Å; Y777-K780 PolarHBondContact O-N 3.13Å; K780-A782 VanDerWaalsContact C-N 3.32Å; K780-E783 PolarHBondContact O-N 3.37Å; K780-A784 PolarHBondContact O-N 3.09Å
781	A	70.1	Confident	72.1	Confident	35 Å²	35	71.2 Å²	71.2	29%	0.289	42%	0.418	S	S	.	.	H	α-helix	trans	-64.7	-35.7	171.3	0	0	0	0	0	112	Y777 L779 A784 S785	Y777-A781 HydrophobicContact CE1-CB 4.35Å; Y777-A781 HydrophobicContact CE2-CB 4.47Å; Y777-A781 PolarHBondContact O-N 3.42Å; L779-A781 VanDerWaalsContact C-N 3.3Å; L779-A781 PolarHBondContact O-N 3Å; A781-A784 PolarHBondContact O-N 2.96Å; A781-S785 PolarHBondContact O-N 3.34Å
782	A	72.8	Confident	72.4	Confident	19 Å²	19	66.7 Å²	66.7	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-66.7	-41.4	170.3	0	0	0	0	0	112.5	G778 L779 K780 A784 S785 L787 V792	G778-A782 PolarHBondContact O-N 3.5Å; G778-A782 VanDerWaalsContact O-N 3.1Å; L779-A782 CarbonylContact O-C 3.3Å; L779-A782 WeakPolarHBondContact O-CA 3.39Å; L779-A782 VanDerWaalsContact O-CB 3.29Å; L779-A782 WeakPolarHBondContact O-CB 3.35Å; L779-A782 PolarHBondContact O-N 3.25Å; K780-A782 VanDerWaalsContact C-N 3.32Å; A782-A784 VanDerWaalsContact C-N 3.27Å; A782-A784 PolarHBondContact O-N 2.72Å; A782-S785 WeakPolarHBondContact O-CB 3.38Å; A782-S785 PolarHBondContact O-N 2.66Å; A782-S785 PolarHBondContact O-OG 2.85Å; A782-L787 HydrophobicContact CB-CD1 3.71Å; A782-V792 HydrophobicContact CB-CG1 4.3Å; A782-V792 HydrophobicContact CB-CG2 4.17Å
783	E	73	Confident	73	Confident	78 Å²	78	70.4 Å²	70.4	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-32.3	173	-63.6	179.1	179.1	0	0	112.2	K758 L779 K780 V792 R796	K758-E783 PolarHBondContact NZ-O 2.82Å; L779-E783 WeakPolarHBondContact O-CG 3.3Å; L779-E783 PolarHBondContact O-N 3Å; K780-E783 PolarHBondContact O-N 3.37Å; E783-V792 HydrophobicContact CG-CB 4.25Å; E783-V792 HydrophobicContact CG-CG1 3.5Å; E783-V792 VanDerWaalsContact CG-CG1 3.5Å; E783-R796 IonicContact OE1-NH1 2.67Å; E783-R796 PolarHBondContact OE1-NH1 2.7Å
784	A	67.3	Low	74	Confident	61 Å²	61	66.4 Å²	66.4	50%	0.504	40%	0.397	S	S	.	.	H	α-helix	trans	-72.9	-35.9	174.3	0	0	0	0	0	112.5	K780 A781 A782	K780-A784 PolarHBondContact O-N 3.09Å; A781-A784 PolarHBondContact O-N 2.96Å; A782-A784 VanDerWaalsContact C-N 3.27Å; A782-A784 PolarHBondContact O-N 2.72Å
785	S	68	Low	74.9	Confident	49 Å²	49	65.5 Å²	65.5	34%	0.343	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	178.2	174.7	86.5	0	0	0	0	113.2	A781 A782 L787	A781-S785 PolarHBondContact O-N 3.34Å; A782-S785 WeakPolarHBondContact O-CB 3.38Å; A782-S785 PolarHBondContact O-N 2.66Å; A782-S785 PolarHBondContact O-OG 2.85Å; S785-L787 PolarHBondContact O-N 2.88Å; S785-L787 WeakPolarHBondContact OG-CG 3.22Å; S785-L787 PolarHBondContact OG-N 3.35Å
786	S	75	Confident	75.9	Confident	132 Å²	132	65.2 Å²	65.2	92%	0.923	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	20.7	177.7	-55.3	0	0	0	0	114.3
787	L	77.2	Confident	76.8	Confident	90 Å²	90	67.2 Å²	67.2	47%	0.471	40%	0.404	S	S	.	.			trans	-71.8	143.5	179.4	-81.6	166.4	0	0	0	112.2	A782 S785 S789 V792	A782-L787 HydrophobicContact CB-CD1 3.71Å; S785-L787 PolarHBondContact O-N 2.88Å; S785-L787 WeakPolarHBondContact OG-CG 3.22Å; S785-L787 PolarHBondContact OG-N 3.35Å; L787-S789 PolarHBondContact O-N 2.8Å; L787-V792 HydrophobicContact CB-CG2 4.23Å
788	P	84.3	Confident	77.4	Confident	68 Å²	68	70.1 Å²	70.1	44%	0.442	42%	0.421	S	S	.	.			trans	-58.1	133.5	173.7	-24.9	34	0	0	0	112.5	S790 I791 V792	P788-S790 VanDerWaalsContact C-N 3.26Å; P788-S790 PolarHBondContact O-N 3.23Å; P788-I791 HydrophobicContact CB-CD1 4.23Å; P788-I791 HydrophobicContact CB-CG1 4.31Å; P788-I791 HydrophobicContact CG-CD1 4.03Å; P788-I791 PolarHBondContact O-N 2.72Å; P788-V792 PolarHBondContact O-N 2.72Å
789	S	79.1	Confident	77.7	Confident	97 Å²	97	69.5 Å²	69.5	68%	0.678	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-28	-176.3	48.9	0	0	0	0	114.2	L787 V792 L793	L787-S789 PolarHBondContact O-N 2.8Å; S789-V792 PolarHBondContact O-N 3.45Å; S789-L793 VanDerWaalsContact O-CG 3.32Å; S789-L793 WeakPolarHBondContact O-CG 3.38Å; S789-L793 PolarHBondContact O-N 3.44Å
790	S	83.7	Confident	77.9	Confident	67 Å²	67	71 Å²	71	47%	0.469	42%	0.418	S	S	.	.	H	α-helix	trans	-58.6	-51.1	172.8	48.5	0	0	0	0	111.8	P788 V792 L793 D794	P788-S790 VanDerWaalsContact C-N 3.26Å; P788-S790 PolarHBondContact O-N 3.23Å; S790-V792 PolarHBondContact O-N 2.89Å; S790-L793 WeakPolarHBondContact O-CB 3.44Å; S790-L793 PolarHBondContact O-N 3.04Å; S790-L793 VanDerWaalsContact O-N 3.09Å; S790-D794 PolarHBondContact O-N 2.88Å
791	I	84.8	Confident	78.1	Confident	92 Å²	92	74.2 Å²	74.2	47%	0.472	43%	0.434	S	S	.	.	H	α-helix	trans	-59.3	-36.9	-178.5	-60.1	178.5	0	0	0	111.1	P788 A795	P788-I791 HydrophobicContact CB-CD1 4.23Å; P788-I791 HydrophobicContact CB-CG1 4.31Å; P788-I791 HydrophobicContact CG-CD1 4.03Å; P788-I791 PolarHBondContact O-N 2.72Å; I791-A795 VanDerWaalsContact O-CB 3.26Å; I791-A795 WeakPolarHBondContact O-CB 3.46Å; I791-A795 PolarHBondContact O-N 2.93Å
792	V	82.9	Confident	78.2	Confident	7 Å²	7	76.7 Å²	76.7	4%	0.042	44%	0.441	C	S	.	.	H	α-helix	trans	-77.6	-30.8	-179.6	-162.1	0	0	0	0	112.2	L779 A782 E783 L787 P788 S789 S790 R796	L779-V792 HydrophobicContact CB-CG1 4.27Å; A782-V792 HydrophobicContact CB-CG1 4.3Å; A782-V792 HydrophobicContact CB-CG2 4.17Å; E783-V792 HydrophobicContact CG-CB 4.25Å; E783-V792 HydrophobicContact CG-CG1 3.5Å; E783-V792 VanDerWaalsContact CG-CG1 3.5Å; L787-V792 HydrophobicContact CB-CG2 4.23Å; P788-V792 PolarHBondContact O-N 2.72Å; S789-V792 PolarHBondContact O-N 3.45Å; S790-V792 PolarHBondContact O-N 2.89Å; V792-R796 WeakPolarHBondContact O-CB 2.94Å; V792-R796 PolarHBondContact O-N 2.95Å
793	L	82.8	Confident	77.9	Confident	102 Å²	102	77.8 Å²	77.8	53%	0.534	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-48.4	169.4	-70.6	167.9	0	0	0	111.1	S789 S790 A795 R796 D797	S789-L793 VanDerWaalsContact O-CG 3.32Å; S789-L793 WeakPolarHBondContact O-CG 3.38Å; S789-L793 PolarHBondContact O-N 3.44Å; S790-L793 WeakPolarHBondContact O-CB 3.44Å; S790-L793 PolarHBondContact O-N 3.04Å; S790-L793 VanDerWaalsContact O-N 3.09Å; L793-A795 VanDerWaalsContact C-N 3.35Å; L793-A795 PolarHBondContact O-N 3.29Å; L793-R796 WeakPolarHBondContact O-CB 3.2Å; L793-R796 PolarHBondContact O-N 3.43Å; L793-R796 VanDerWaalsContact O-N 3.1Å; L793-D797 PolarHBondContact O-N 3.24Å
794	D	83.9	Confident	77.5	Confident	98 Å²	98	83 Å²	83	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-57.9	-47	177.6	-60.8	-30	0	0	0	111.1	S790 R796 D797 I798	S790-D794 PolarHBondContact O-N 2.88Å; D794-R796 VanDerWaalsContact C-N 3.31Å; D794-R796 PolarHBondContact O-N 3.43Å; D794-D797 PolarHBondContact O-N 3.28Å; D794-I798 VanDerWaalsContact O-CG1 3.31Å; D794-I798 WeakPolarHBondContact O-CG1 3.22Å; D794-I798 PolarHBondContact O-N 2.77Å
795	A	82.1	Confident	77.2	Confident	30 Å²	30	86.9 Å²	86.9	25%	0.248	47%	0.47	C	S	.	.	H	α-helix	trans	-64.4	-33.4	177.1	0	0	0	0	0	112.9	L779 I791 L793 T799	L779-A795 HydrophobicContact CD2-CB 3.8Å; I791-A795 VanDerWaalsContact O-CB 3.26Å; I791-A795 WeakPolarHBondContact O-CB 3.46Å; I791-A795 PolarHBondContact O-N 2.93Å; L793-A795 VanDerWaalsContact C-N 3.35Å; L793-A795 PolarHBondContact O-N 3.29Å; A795-T799 VanDerWaalsContact O-CB 3.32Å; A795-T799 WeakPolarHBondContact O-CB 3.49Å; A795-T799 PolarHBondContact O-N 3.44Å; A795-T799 PolarHBondContact O-OG1 3.48Å
796	R	81.1	Confident	76.7	Confident	114 Å²	114	88.1 Å²	88.1	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-45.3	176.3	-174.9	173.8	-177.4	147	-4.4	111.3	L779 E783 V792 L793 D794 T799 T800	L779-R796 VanDerWaalsContact CD1-CA 3.5Å; L779-R796 HydrophobicContact CD1-CB 3.91Å; L779-R796 HydrophobicContact CD1-CG 4.39Å; E783-R796 IonicContact OE1-NH1 2.67Å; E783-R796 PolarHBondContact OE1-NH1 2.7Å; V792-R796 WeakPolarHBondContact O-CB 2.94Å; V792-R796 PolarHBondContact O-N 2.95Å; L793-R796 WeakPolarHBondContact O-CB 3.2Å; L793-R796 PolarHBondContact O-N 3.43Å; L793-R796 VanDerWaalsContact O-N 3.1Å; D794-R796 VanDerWaalsContact C-N 3.31Å; D794-R796 PolarHBondContact O-N 3.43Å; R796-T799 PolarHBondContact O-N 3.02Å; R796-T800 WeakPolarHBondContact O-CG2 3.23Å; R796-T800 PolarHBondContact O-N 3.38Å
797	D	81.8	Confident	75.7	Confident	100 Å²	100	86.8 Å²	86.8	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-63.2	-47.6	177.1	-79.3	-0.9	0	0	0	111.2	L793 D794 T799 T800 Q801	L793-D797 PolarHBondContact O-N 3.24Å; D794-D797 PolarHBondContact O-N 3.28Å; D797-T799 VanDerWaalsContact C-N 3.32Å; D797-T799 PolarHBondContact O-N 2.84Å; D797-T800 PolarHBondContact O-N 2.67Å; D797-T800 VanDerWaalsContact O-N 3.13Å; D797-T800 PolarHBondContact O-OG1 2.62Å; D797-Q801 WeakPolarHBondContact O-CG 3.42Å; D797-Q801 PolarHBondContact O-N 3Å; D797-Q801 VanDerWaalsContact O-N 3.08Å
798	I	80.9	Confident	74.3	Confident	95 Å²	95	90.3 Å²	90.3	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-54.8	-47.1	173.2	-67.4	165.2	0	0	0	111	D794 T800 Q801 I802	D794-I798 VanDerWaalsContact O-CG1 3.31Å; D794-I798 WeakPolarHBondContact O-CG1 3.22Å; D794-I798 PolarHBondContact O-N 2.77Å; I798-T800 VanDerWaalsContact C-N 3.32Å; I798-T800 PolarHBondContact O-N 2.95Å; I798-Q801 WeakPolarHBondContact O-CB 3.49Å; I798-Q801 PolarHBondContact O-N 3.06Å; I798-Q801 VanDerWaalsContact O-N 3.14Å; I798-I802 HydrophobicContact CG2-CD1 3.88Å; I798-I802 WeakPolarHBondContact O-CG1 3.43Å; I798-I802 PolarHBondContact O-N 3.28Å; I798-I802 VanDerWaalsContact O-N 3.09Å
799	T	76.4	Confident	72.7	Confident	39 Å²	39	94.3 Å²	94.3	24%	0.239	49%	0.486	C	S	.	.	H	α-helix	trans	-62.3	-37.8	179.5	-57.5	0	0	0	0	111.9	N776 A795 R796 D797 T803	N776-T799 WeakPolarHBondContact ND2-CG2 3.37Å; N776-T799 WeakPolarHBondContact OD1-CG2 3.4Å; A795-T799 VanDerWaalsContact O-CB 3.32Å; A795-T799 WeakPolarHBondContact O-CB 3.49Å; A795-T799 PolarHBondContact O-N 3.44Å; A795-T799 PolarHBondContact O-OG1 3.48Å; R796-T799 PolarHBondContact O-N 3.02Å; D797-T799 VanDerWaalsContact C-N 3.32Å; D797-T799 PolarHBondContact O-N 2.84Å; T799-T803 WeakPolarHBondContact O-CB 3.25Å; T799-T803 PolarHBondContact O-N 2.9Å; T799-T803 PolarHBondContact O-OG1 3.29Å
800	T	78	Confident	71.3	Confident	62 Å²	62	93.8 Å²	93.8	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-68.6	-32.9	175.5	66.2	0	0	0	0	113	R796 D797 I798 R804	R796-T800 WeakPolarHBondContact O-CG2 3.23Å; R796-T800 PolarHBondContact O-N 3.38Å; D797-T800 PolarHBondContact O-N 2.67Å; D797-T800 VanDerWaalsContact O-N 3.13Å; D797-T800 PolarHBondContact O-OG1 2.62Å; I798-T800 VanDerWaalsContact C-N 3.32Å; I798-T800 PolarHBondContact O-N 2.95Å; T800-R804 VanDerWaalsContact O-CB 3.25Å; T800-R804 WeakPolarHBondContact O-CB 3.44Å; T800-R804 PolarHBondContact O-N 2.88Å
801	Q	76	Confident	69.7	Low	124 Å²	124	102.5 Å²	102.5	58%	0.579	50%	0.495	S	S	*	.	H	α-helix	trans	-65.6	-48.4	175.2	-66.7	178	20.3	0	0	111.2	D797 I798 R804 Q805	D797-Q801 WeakPolarHBondContact O-CG 3.42Å; D797-Q801 PolarHBondContact O-N 3Å; D797-Q801 VanDerWaalsContact O-N 3.08Å; I798-Q801 WeakPolarHBondContact O-CB 3.49Å; I798-Q801 PolarHBondContact O-N 3.06Å; I798-Q801 VanDerWaalsContact O-N 3.14Å; Q801-R804 PolarHBondContact O-N 3.33Å; Q801-Q805 PolarHBondContact O-N 3.45Å
802	I	71.4	Confident	68.1	Low	87 Å²	87	102 Å²	102	45%	0.446	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-48.7	176.7	-63.7	167.3	0	0	0	110.5	I798 R804 Q805 I806	I798-I802 HydrophobicContact CG2-CD1 3.88Å; I798-I802 WeakPolarHBondContact O-CG1 3.43Å; I798-I802 PolarHBondContact O-N 3.28Å; I798-I802 VanDerWaalsContact O-N 3.09Å; I802-R804 PolarHBondContact O-N 3.37Å; I802-Q805 PolarHBondContact O-N 3.26Å; I802-Q805 VanDerWaalsContact O-N 3.07Å; I802-I806 HydrophobicContact CG2-CD1 3.95Å; I802-I806 PolarHBondContact O-N 3.15Å
803	T	67.3	Low	66.7	Low	42 Å²	42	104.5 Å²	104.5	26%	0.258	52%	0.518	S	S	.	.	H	α-helix	trans	-57.7	-37.1	178.1	-55.2	0	0	0	0	112.1	T799 Q805 I806 L807	T799-T803 WeakPolarHBondContact O-CB 3.25Å; T799-T803 PolarHBondContact O-N 2.9Å; T799-T803 PolarHBondContact O-OG1 3.29Å; T803-Q805 VanDerWaalsContact C-N 3.32Å; T803-Q805 PolarHBondContact O-N 2.72Å; T803-I806 PolarHBondContact O-N 3.03Å; T803-L807 HydrophobicContact CG2-CD1 3.87Å; T803-L807 HydrophobicContact CG2-CG 4.33Å; T803-L807 WeakPolarHBondContact O-CB 3.37Å; T803-L807 VanDerWaalsContact O-CG 3.31Å; T803-L807 WeakPolarHBondContact O-CG 3.32Å; T803-L807 PolarHBondContact O-N 2.87Å; T803-L807 VanDerWaalsContact O-N 3.13Å
804	R	64	Low	65.6	Low	187 Å²	187	104.1 Å²	104.1	71%	0.706	52%	0.521	S	S	*	.	H	α-helix	trans	-70.3	-25.9	179.8	-174.9	-179.6	-108.4	149.2	-6.6	113	T800 Q801 I802	T800-R804 VanDerWaalsContact O-CB 3.25Å; T800-R804 WeakPolarHBondContact O-CB 3.44Å; T800-R804 PolarHBondContact O-N 2.88Å; Q801-R804 PolarHBondContact O-N 3.33Å; I802-R804 PolarHBondContact O-N 3.37Å
805	Q	61	Low	64.4	Low	143 Å²	143	105.7 Å²	105.7	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-75.7	-46.1	172.7	-68.5	173.5	-25.6	0	0	111.1	Q801 I802 T803 L807 Q808	Q801-Q805 PolarHBondContact O-N 3.45Å; I802-Q805 PolarHBondContact O-N 3.26Å; I802-Q805 VanDerWaalsContact O-N 3.07Å; T803-Q805 VanDerWaalsContact C-N 3.32Å; T803-Q805 PolarHBondContact O-N 2.72Å; Q805-L807 PolarHBondContact O-N 3.48Å; Q805-Q808 PolarHBondContact O-N 2.86Å
806	I	58	Low	63.4	Low	74 Å²	74	106.6 Å²	106.6	38%	0.379	53%	0.525	S	S	.	.	H	α-helix	trans	-61.7	-42.3	-179	-62.8	168.1	0	0	0	111.5	I802 T803 Q808 N809	I802-I806 HydrophobicContact CG2-CD1 3.95Å; I802-I806 PolarHBondContact O-N 3.15Å; T803-I806 PolarHBondContact O-N 3.03Å; I806-Q808 PolarHBondContact O-N 3.32Å; I806-N809 PolarHBondContact O-N 3.19Å
807	L	53.6	Low	62.5	Low	104 Å²	104	105.4 Å²	105.4	55%	0.545	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.1	-176.8	-77.8	171.6	0	0	0	115.6	T803 Q805	T803-L807 HydrophobicContact CG2-CD1 3.87Å; T803-L807 HydrophobicContact CG2-CG 4.33Å; T803-L807 WeakPolarHBondContact O-CB 3.37Å; T803-L807 VanDerWaalsContact O-CG 3.31Å; T803-L807 WeakPolarHBondContact O-CG 3.32Å; T803-L807 PolarHBondContact O-N 2.87Å; T803-L807 VanDerWaalsContact O-N 3.13Å; Q805-L807 PolarHBondContact O-N 3.48Å
808	Q	48.3	Very low	61.6	Low	164 Å²	164	108.1 Å²	108.1	77%	0.766	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.3	-179.7	-69.8	-170.4	-30.9	0	0	114.1	Q805 I806	Q805-Q808 PolarHBondContact O-N 2.86Å; I806-Q808 PolarHBondContact O-N 3.32Å
809	N	49.1	Very low	60.9	Low	152 Å²	152	108.1 Å²	108.1	81%	0.813	53%	0.528	S	S	*	.	S	Bend	trans	-101.4	-1.9	-173.1	-78.2	-12.9	0	0	0	115.5	I806	I806-N809 PolarHBondContact O-N 3.19Å
810	Q	50.8	Low	60.5	Low	87 Å²	87	108.6 Å²	108.6	41%	0.407	53%	0.526	S	S	.	.			trans	-129	116.1	-163.5	-72.1	170.8	-17.7	0	0	114
811	R	50	Low	59.9	Low	249 Å²	249	106.3 Å²	106.3	94%	0.94	51%	0.513	S	S	*	.			trans	-145.7	136.2	160.2	-72	-171.6	176	-176.3	-1.6	109.2
812	S	50.3	Low	59.9	Low	82 Å²	82	103.7 Å²	103.7	57%	0.573	51%	0.505	S	S	*	.			trans	-70.7	155.9	167.5	48.6	0	0	0	0	111.2
813	S	55.1	Low	60	Low	59 Å²	59	102.9 Å²	102.9	41%	0.413	50%	0.497	S	S	.	.			trans	-93.1	135.7	170.1	61.9	0	0	0	0	110.3	E815 M816	S813-E815 PolarHBondContact O-N 3.36Å; S813-M816 PolarHBondContact O-N 3.24Å; S813-M816 VanDerWaalsContact O-N 3.11Å
814	P	59.5	Low	60.3	Low	94 Å²	94	101.9 Å²	101.9	61%	0.61	49%	0.489	S	S	*	.	H	α-helix	trans	-67.3	-5	-178.4	27.5	-35.5	0	0	0	114
815	E	57.6	Low	60.9	Low	131 Å²	131	95 Å²	95	61%	0.612	47%	0.466	S	S	*	.	H	α-helix	trans	-78.9	-32.5	173.7	-170.9	163.9	-152.2	0	0	112.4	S813 R818 Q819	S813-E815 PolarHBondContact O-N 3.36Å; E815-R818 WeakPolarHBondContact O-CB 3.23Å; E815-R818 PolarHBondContact O-N 3.11Å; E815-Q819 PolarHBondContact O-N 2.78Å; E815-Q819 VanDerWaalsContact O-N 3.16Å
816	M	60.7	Low	61.4	Low	50 Å²	50	90.4 Å²	90.4	25%	0.246	45%	0.453	C	S	.	.	H	α-helix	trans	-69.3	-39.8	175.7	-69.7	-59.4	-70.3	0	0	111.6	A736 L739 S813 R818 Q819 R820	A736-M816 WeakPolarHBondContact O-CE 3.37Å; L739-M816 HydrophobicContact CD2-CE 4.24Å; S813-M816 PolarHBondContact O-N 3.24Å; S813-M816 VanDerWaalsContact O-N 3.11Å; M816-R818 VanDerWaalsContact C-N 3.26Å; M816-R818 PolarHBondContact O-N 3.48Å; M816-Q819 PolarHBondContact O-N 2.93Å; M816-Q819 VanDerWaalsContact O-N 3.14Å; M816-R820 WeakPolarHBondContact O-CB 3.4Å; M816-R820 PolarHBondContact O-N 2.97Å
817	D	62.2	Low	62.2	Low	88 Å²	88	87.9 Å²	87.9	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-58.9	-39	175.5	-62.4	-43.8	0	0	0	111.5	R820 A821	D817-R820 PolarHBondContact O-N 3.39Å; D817-A821 PolarHBondContact O-N 3.2Å
818	R	64.4	Low	63.1	Low	158 Å²	158	84.9 Å²	84.9	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-63.2	-47.2	173.6	-179.5	-177.4	179.9	-172.6	1.6	112.1	E815 M816 R820 A821 V822 F858	E815-R818 WeakPolarHBondContact O-CB 3.23Å; E815-R818 PolarHBondContact O-N 3.11Å; M816-R818 VanDerWaalsContact C-N 3.26Å; M816-R818 PolarHBondContact O-N 3.48Å; R818-R820 VanDerWaalsContact C-N 3.3Å; R818-R820 PolarHBondContact O-N 2.91Å; R818-A821 PolarHBondContact O-N 2.97Å; R818-V822 WeakPolarHBondContact O-CG2 3.45Å; R818-V822 PolarHBondContact O-N 3.14Å; R818-F858 HydrophobicContact CG-CE2 4.45Å
819	Q	66	Low	64.5	Low	95 Å²	95	80.5 Å²	80.5	44%	0.444	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-39.7	177.6	-67.1	-176.2	23.1	0	0	111.3	L739 E815 M816 V822 Y823	L739-Q819 HydrophobicContact CD1-CB 4.38Å; E815-Q819 PolarHBondContact O-N 2.78Å; E815-Q819 VanDerWaalsContact O-N 3.16Å; M816-Q819 PolarHBondContact O-N 2.93Å; M816-Q819 VanDerWaalsContact O-N 3.14Å; Q819-V822 PolarHBondContact O-N 3.11Å; Q819-Y823 WeakPolarHBondContact O-CB 3.1Å; Q819-Y823 PolarHBondContact O-N 3.33Å
820	R	66.4	Low	65.8	Low	49 Å²	49	76.6 Å²	76.6	19%	0.185	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-46.8	177.1	-174.1	171.6	-174.7	-174.7	12.6	112.7	D735 L739 V741 M816 D817 R818 V822 Y823 H824	D735-R820 VanDerWaalsContact CG-NH2 3.32Å; D735-R820 IonicContact OD1-CZ 2.7Å; D735-R820 VanDerWaalsContact OD1-CZ 3.24Å; D735-R820 IonicContact OD1-NH1 2.72Å; D735-R820 PolarHBondContact OD1-NH1 3.45Å; D735-R820 IonicContact OD1-NH2 2.79Å; D735-R820 PolarHBondContact OD1-NH2 2.8Å; D735-R820 IonicContact OD2-CZ 3.89Å; D735-R820 IonicContact OD2-NH1 3.23Å; D735-R820 PolarHBondContact OD2-NH1 3.38Å; D735-R820 IonicContact OD2-NH2 2.69Å; D735-R820 PolarHBondContact OD2-NH2 3.13Å; L739-R820 HydrophobicContact CD2-CB 3.95Å; V741-R820 PolarHBondContact O-NH2 3.35Å; M816-R820 WeakPolarHBondContact O-CB 3.4Å; M816-R820 PolarHBondContact O-N 2.97Å; D817-R820 PolarHBondContact O-N 3.39Å; R818-R820 VanDerWaalsContact C-N 3.3Å; R818-R820 PolarHBondContact O-N 2.91Å; R820-V822 VanDerWaalsContact C-N 3.29Å; R820-V822 PolarHBondContact O-N 2.85Å; R820-Y823 PolarHBondContact O-N 3.4Å; R820-H824 PolarHBondContact O-CD2 3.02Å; R820-H824 VanDerWaalsContact O-CD2 3.24Å; R820-H824 PolarHBondContact O-N 2.82Å
821	A	66.7	Low	66.6	Low	13 Å²	13	73.8 Å²	73.8	11%	0.107	37%	0.372	C	S	.	.	H	α-helix	trans	-59.6	-40.3	176.1	0	0	0	0	0	112	D817 R818 L825 Y854	D817-A821 PolarHBondContact O-N 3.2Å; R818-A821 PolarHBondContact O-N 2.97Å; A821-L825 WeakPolarHBondContact O-CB 3.45Å; A821-L825 PolarHBondContact O-N 3.05Å; A821-L825 VanDerWaalsContact O-N 3.08Å; A821-Y854 HydrophobicContact CB-CD2 4.12Å; A821-Y854 HydrophobicContact CB-CE2 3.9Å
822	V	76.2	Confident	67.7	Low	69 Å²	69	62.8 Å²	62.8	42%	0.418	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-41.3	175.6	172.2	0	0	0	0	111.6	R818 Q819 R820 L825 A826 Y854	R818-V822 WeakPolarHBondContact O-CG2 3.45Å; R818-V822 PolarHBondContact O-N 3.14Å; Q819-V822 PolarHBondContact O-N 3.11Å; R820-V822 VanDerWaalsContact C-N 3.29Å; R820-V822 PolarHBondContact O-N 2.85Å; V822-L825 PolarHBondContact O-N 2.98Å; V822-A826 WeakPolarHBondContact O-CB 3.42Å; V822-A826 PolarHBondContact O-N 3.4Å; V822-Y854 HydrophobicContact CG2-CE2 4.04Å
823	Y	73.9	Confident	68.6	Low	71 Å²	71	63 Å²	63	28%	0.278	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-44.3	179.7	-173	-107.1	0	0	0	112.7	G606 L739 N740 Q819 R820 L825 A826 T827	G606-Y823 WeakPolarHBondContact O-CE1 3.48Å; L739-Y823 HydrophobicContact CB-CD1 3.69Å; L739-Y823 HydrophobicContact CB-CE1 4.22Å; L739-Y823 HydrophobicContact CB-CG 4.07Å; L739-Y823 HydrophobicContact CD1-CD2 4.47Å; L739-Y823 HydrophobicContact CD1-CG 4.05Å; N740-Y823 VanDerWaalsContact OD1-CE1 3.25Å; N740-Y823 WeakPolarHBondContact OD1-CE1 3.46Å; N740-Y823 PolarHBondContact OD1-OH 3.27Å; N740-Y823 VanDerWaalsContact OD1-OH 3.06Å; Q819-Y823 WeakPolarHBondContact O-CB 3.1Å; Q819-Y823 PolarHBondContact O-N 3.33Å; R820-Y823 PolarHBondContact O-N 3.4Å; Y823-L825 VanDerWaalsContact C-N 3.31Å; Y823-L825 PolarHBondContact O-N 2.95Å; Y823-A826 PolarHBondContact O-N 2.76Å; Y823-T827 HydrophobicContact CD1-CG2 4.3Å; Y823-T827 HydrophobicContact CD2-CG2 4.31Å; Y823-T827 HydrophobicContact CE1-CG2 3.92Å; Y823-T827 HydrophobicContact CE2-CG2 3.92Å; Y823-T827 HydrophobicContact CG-CG2 4.48Å; Y823-T827 WeakPolarHBondContact O-CG2 3.49Å; Y823-T827 PolarHBondContact O-N 2.67Å; Y823-T827 PolarHBondContact O-OG1 3.34Å
824	H	72.7	Confident	69.4	Low	21 Å²	21	67 Å²	67	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-29.3	174.4	-75	-59.1	0	0	0	113.1	L739 R820 R828	L739-H824 PolarHBondContact O-NE2 3.1Å; R820-H824 PolarHBondContact O-CD2 3.02Å; R820-H824 VanDerWaalsContact O-CD2 3.24Å; R820-H824 PolarHBondContact O-N 2.82Å; H824-R828 WeakPolarHBondContact O-CB 3.29Å; H824-R828 WeakPolarHBondContact O-CD 3.47Å; H824-R828 WeakPolarHBondContact O-CG 3.38Å; H824-R828 PolarHBondContact O-N 3.25Å
825	L	75.6	Confident	69.9	Low	43 Å²	43	65.5 Å²	65.5	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-51.3	169.8	175.1	61.7	0	0	0	110.7	A821 V822 Y823 L829 L850 Y854	A821-L825 WeakPolarHBondContact O-CB 3.45Å; A821-L825 PolarHBondContact O-N 3.05Å; A821-L825 VanDerWaalsContact O-N 3.08Å; V822-L825 PolarHBondContact O-N 2.98Å; Y823-L825 VanDerWaalsContact C-N 3.31Å; Y823-L825 PolarHBondContact O-N 2.95Å; L825-L829 HydrophobicContact CD1-CD1 3.8Å; L825-L829 HydrophobicContact CD1-CG 4.14Å; L825-L829 HydrophobicContact CG-CD1 3.92Å; L825-L829 WeakPolarHBondContact O-CB 3.46Å; L825-L829 VanDerWaalsContact O-CG 3.23Å; L825-L829 WeakPolarHBondContact O-CG 3.35Å; L825-L829 PolarHBondContact O-N 3.18Å; L825-L850 HydrophobicContact CD1-CD2 3.62Å; L825-Y854 HydrophobicContact CB-CD2 3.99Å; L825-Y854 HydrophobicContact CB-CE2 4.48Å; L825-Y854 HydrophobicContact CD2-CD1 4.23Å; L825-Y854 HydrophobicContact CD2-CD2 3.71Å; L825-Y854 HydrophobicContact CD2-CE1 4.46Å; L825-Y854 HydrophobicContact CD2-CE2 3.95Å; L825-Y854 HydrophobicContact CD2-CG 3.86Å; L825-Y854 HydrophobicContact CG-CD2 4.38Å
826	A	73.3	Confident	70.4	Confident	46 Å²	46	61.4 Å²	61.4	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-46.4	-177.5	0	0	0	0	0	112.6	V822 Y823 L829 V830	V822-A826 WeakPolarHBondContact O-CB 3.42Å; V822-A826 PolarHBondContact O-N 3.4Å; Y823-A826 PolarHBondContact O-N 2.76Å; A826-L829 PolarHBondContact O-N 3.39Å; A826-V830 WeakPolarHBondContact O-CG2 3.43Å; A826-V830 PolarHBondContact O-N 3.23Å
827	T	73.4	Confident	70.5	Confident	20 Å²	20	67.8 Å²	67.8	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-41.1	-178.6	53.9	0	0	0	0	112.1	Y823 L829 V830 Q831	Y823-T827 HydrophobicContact CD1-CG2 4.3Å; Y823-T827 HydrophobicContact CD2-CG2 4.31Å; Y823-T827 HydrophobicContact CE1-CG2 3.92Å; Y823-T827 HydrophobicContact CE2-CG2 3.92Å; Y823-T827 HydrophobicContact CG-CG2 4.48Å; Y823-T827 WeakPolarHBondContact O-CG2 3.49Å; Y823-T827 PolarHBondContact O-N 2.67Å; Y823-T827 PolarHBondContact O-OG1 3.34Å; T827-L829 VanDerWaalsContact C-N 3.34Å; T827-L829 PolarHBondContact O-N 3.03Å; T827-V830 PolarHBondContact O-N 2.85Å; T827-Q831 WeakPolarHBondContact O-CB 3.34Å; T827-Q831 VanDerWaalsContact O-CD 3.25Å; T827-Q831 WeakPolarHBondContact O-CG 3.32Å; T827-Q831 PolarHBondContact O-N 3.46Å
828	R	73.6	Confident	70.8	Confident	42 Å²	42	67.4 Å²	67.4	16%	0.158	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-34.7	172.8	-70.5	175.2	-179.9	150.2	5.3	113	H824 A832 L850	H824-R828 WeakPolarHBondContact O-CB 3.29Å; H824-R828 WeakPolarHBondContact O-CD 3.47Å; H824-R828 WeakPolarHBondContact O-CG 3.38Å; H824-R828 PolarHBondContact O-N 3.25Å; R828-A832 WeakPolarHBondContact O-CB 3.42Å; R828-A832 PolarHBondContact O-N 3.36Å; R828-L850 HydrophobicContact CB-CD1 3.97Å; R828-L850 HydrophobicContact CB-CD2 4.25Å
829	L	77	Confident	71.1	Confident	72 Å²	72	66.3 Å²	66.3	38%	0.377	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-41.3	173.7	-73.9	171	0	0	0	111.9	L825 A826 T827 A832 A833 L847	L825-L829 HydrophobicContact CD1-CD1 3.8Å; L825-L829 HydrophobicContact CD1-CG 4.14Å; L825-L829 HydrophobicContact CG-CD1 3.92Å; L825-L829 WeakPolarHBondContact O-CB 3.46Å; L825-L829 VanDerWaalsContact O-CG 3.23Å; L825-L829 WeakPolarHBondContact O-CG 3.35Å; L825-L829 PolarHBondContact O-N 3.18Å; A826-L829 PolarHBondContact O-N 3.39Å; T827-L829 VanDerWaalsContact C-N 3.34Å; T827-L829 PolarHBondContact O-N 3.03Å; L829-A832 PolarHBondContact O-N 2.92Å; L829-A833 WeakPolarHBondContact O-CB 3.24Å; L829-A833 PolarHBondContact O-N 3.22Å; L829-L847 HydrophobicContact CD2-CD2 3.47Å; L829-L847 VanDerWaalsContact CD2-CD2 3.47Å
830	V	76.3	Confident	71.4	Confident	70 Å²	70	66.1 Å²	66.1	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-64.9	-41	174.3	171.5	0	0	0	0	111.3	A826 T827 A833 R834	A826-V830 WeakPolarHBondContact O-CG2 3.43Å; A826-V830 PolarHBondContact O-N 3.23Å; T827-V830 PolarHBondContact O-N 2.85Å; V830-A833 PolarHBondContact O-N 3.29Å; V830-R834 HydrophobicContact CG1-CG 4.48Å; V830-R834 WeakPolarHBondContact O-CG 3.31Å; V830-R834 PolarHBondContact O-N 2.71Å
831	Q	68.3	Low	71.7	Confident	27 Å²	27	68.6 Å²	68.6	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-43.9	175.5	-70.9	155.8	14.5	0	0	111.8	Y602 T604 T827 A833 R834 N835	Y602-Q831 PolarHBondContact OH-OE1 2.9Å; Y602-Q831 VanDerWaalsContact OH-OE1 3.06Å; T604-Q831 PolarHBondContact OG1-NE2 2.97Å; T604-Q831 VanDerWaalsContact OG1-NE2 3.08Å; T827-Q831 WeakPolarHBondContact O-CB 3.34Å; T827-Q831 VanDerWaalsContact O-CD 3.25Å; T827-Q831 WeakPolarHBondContact O-CG 3.32Å; T827-Q831 PolarHBondContact O-N 3.46Å; Q831-A833 VanDerWaalsContact C-N 3.3Å; Q831-A833 PolarHBondContact O-N 2.87Å; Q831-R834 PolarHBondContact O-N 2.85Å; Q831-N835 PolarHBondContact O-N 3.24Å
832	A	73.1	Confident	72.1	Confident	18 Å²	18	76.5 Å²	76.5	15%	0.149	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-33.5	173.6	0	0	0	0	0	112.5	R828 L829 S836 Y846	R828-A832 WeakPolarHBondContact O-CB 3.42Å; R828-A832 PolarHBondContact O-N 3.36Å; L829-A832 PolarHBondContact O-N 2.92Å; A832-S836 WeakPolarHBondContact O-CB 3.47Å; A832-S836 PolarHBondContact O-N 3.04Å; A832-Y846 HydrophobicContact CB-CE1 4.14Å
833	A	68.9	Low	72.2	Confident	88 Å²	88	75.4 Å²	75.4	73%	0.727	39%	0.391	S	S	*	.	H	α-helix	trans	-73.7	-32.4	176.3	0	0	0	0	0	113.6	L829 V830 Q831	L829-A833 WeakPolarHBondContact O-CB 3.24Å; L829-A833 PolarHBondContact O-N 3.22Å; V830-A833 PolarHBondContact O-N 3.29Å; Q831-A833 VanDerWaalsContact C-N 3.3Å; Q831-A833 PolarHBondContact O-N 2.87Å
834	R	71.1	Confident	72.3	Confident	141 Å²	141	80.3 Å²	80.3	53%	0.532	41%	0.409	S	S	.	.	H	α-helix	trans	-83	-44.6	177.8	-69.3	-174.9	-174.7	163.4	6.7	113.4	D576 E605 V830 Q831	D576-R834 IonicContact OD2-NH1 3.62Å; D576-R834 PolarHBondContact OD2-NH1 3.18Å; E605-R834 IonicContact OE2-NH1 3.06Å; E605-R834 PolarHBondContact OE2-NH1 3.5Å; E605-R834 VanDerWaalsContact OE2-NH1 3.09Å; V830-R834 HydrophobicContact CG1-CG 4.48Å; V830-R834 WeakPolarHBondContact O-CG 3.31Å; V830-R834 PolarHBondContact O-N 2.71Å; Q831-R834 PolarHBondContact O-N 2.85Å
835	N	70.4	Confident	72.6	Confident	64 Å²	64	83.2 Å²	83.2	34%	0.342	43%	0.428	S	S	.	.	H	α-helix	trans	-115.5	7.1	-161.1	-59	-3.8	0	0	0	114.2	Q831 Q837	Q831-N835 PolarHBondContact O-N 3.24Å; N835-Q837 PolarHBondContact O-N 3.47Å
836	S	68.7	Low	72.7	Confident	45 Å²	45	85.3 Å²	85.3	32%	0.315	43%	0.434	S	S	.	.			trans	-76.5	109.3	-177.1	172.1	0	0	0	0	113.3	A832 L838	A832-S836 WeakPolarHBondContact O-CB 3.47Å; A832-S836 PolarHBondContact O-N 3.04Å; S836-L838 VanDerWaalsContact C-N 3.29Å; S836-L838 WeakPolarHBondContact OG-CB 3.5Å; S836-L838 PolarHBondContact OG-N 3.42Å; S836-L838 VanDerWaalsContact OG-N 3.15Å
837	Q	62.7	Low	73	Confident	184 Å²	184	86.4 Å²	86.4	86%	0.86	43%	0.432	S	S	*	.			trans	-89.7	15.3	159.3	-56.5	-172.9	19	0	0	112.8	N835	N835-Q837 PolarHBondContact O-N 3.47Å
838	L	67.3	Low	73.2	Confident	79 Å²	79	88.2 Å²	88.2	41%	0.414	45%	0.446	S	S	.	.			trans	-80	130.6	-177.6	-65.3	172.7	0	0	0	112.6	S836 R842 L843	S836-L838 VanDerWaalsContact C-N 3.29Å; S836-L838 WeakPolarHBondContact OG-CB 3.5Å; S836-L838 PolarHBondContact OG-N 3.42Å; S836-L838 VanDerWaalsContact OG-N 3.15Å; L838-R842 HydrophobicContact CB-CB 4.41Å; L838-R842 HydrophobicContact CD2-CB 4.49Å; L838-L843 HydrophobicContact CB-CB 4.24Å
839	E	70.7	Confident	73.4	Confident	136 Å²	136	90 Å²	90	64%	0.636	46%	0.459	S	S	*	.			trans	-44.4	141.3	163.8	-71.2	-65.8	167	0	0	112.2	D841 R842 L843	E839-D841 VanDerWaalsContact C-N 3.29Å; E839-D841 PolarHBondContact O-N 3.03Å; E839-D841 VanDerWaalsContact O-N 3.12Å; E839-R842 HydrophobicContact CB-CB 4.47Å; E839-R842 HydrophobicContact CB-CG 4.42Å; E839-R842 CarbonylContact O-C 3.53Å; E839-R842 WeakPolarHBondContact O-CA 3.38Å; E839-R842 WeakPolarHBondContact O-CB 3.18Å; E839-R842 PolarHBondContact O-N 3.13Å; E839-L843 PolarHBondContact O-N 3.2Å
840	P	73.2	Confident	73.5	Confident	90 Å²	90	87.1 Å²	87.1	58%	0.584	44%	0.444	S	S	*	.	H	α-helix	trans	-61.4	-31.5	-166	21.9	-32.4	0	0	0	114.1	L843 R844	P840-L843 PolarHBondContact O-N 3.38Å; P840-R844 VanDerWaalsContact O-CB 3.31Å; P840-R844 WeakPolarHBondContact O-CB 3.34Å; P840-R844 PolarHBondContact O-N 3.07Å
841	D	72.8	Confident	73.5	Confident	101 Å²	101	91.5 Å²	91.5	54%	0.54	46%	0.457	S	S	.	.	H	α-helix	trans	-76.1	-30.2	174.6	-74	-46.2	0	0	0	113.2	E839 R844 T845	E839-D841 VanDerWaalsContact C-N 3.29Å; E839-D841 PolarHBondContact O-N 3.03Å; E839-D841 VanDerWaalsContact O-N 3.12Å; D841-R844 IonicContact OD1-NH1 2.62Å; D841-R844 PolarHBondContact OD1-NH1 3.41Å; D841-T845 WeakPolarHBondContact O-CB 3.44Å; D841-T845 PolarHBondContact O-N 3.23Å; D841-T845 PolarHBondContact O-OG1 3.08Å
842	R	75.5	Confident	73.9	Confident	180 Å²	180	96.8 Å²	96.8	68%	0.679	48%	0.48	S	S	*	.	H	α-helix	trans	-69.3	-41.3	169.5	-69.4	-174.4	175.4	-171.1	0.1	110.4	L838 E839 T845 Y846	L838-R842 HydrophobicContact CB-CB 4.41Å; L838-R842 HydrophobicContact CD2-CB 4.49Å; E839-R842 HydrophobicContact CB-CB 4.47Å; E839-R842 HydrophobicContact CB-CG 4.42Å; E839-R842 CarbonylContact O-C 3.53Å; E839-R842 WeakPolarHBondContact O-CA 3.38Å; E839-R842 WeakPolarHBondContact O-CB 3.18Å; E839-R842 PolarHBondContact O-N 3.13Å; R842-T845 PolarHBondContact O-N 3.03Å; R842-Y846 WeakPolarHBondContact O-CB 3.47Å; R842-Y846 PolarHBondContact O-N 3.45Å
843	L	78.3	Confident	73.8	Confident	46 Å²	46	102 Å²	102	24%	0.241	50%	0.499	C	S	.	.	H	α-helix	trans	-62.9	-46	174.2	-176.5	61.1	0	0	0	111.7	L838 E839 P840 T845 Y846 L847	L838-L843 HydrophobicContact CB-CB 4.24Å; E839-L843 PolarHBondContact O-N 3.2Å; P840-L843 PolarHBondContact O-N 3.38Å; L843-T845 VanDerWaalsContact C-N 3.3Å; L843-T845 PolarHBondContact O-N 3.24Å; L843-Y846 WeakPolarHBondContact O-CB 3.25Å; L843-Y846 PolarHBondContact O-N 3.48Å; L843-L847 HydrophobicContact CD1-CD1 4.37Å; L843-L847 HydrophobicContact CD1-CG 4.36Å; L843-L847 HydrophobicContact CG-CD1 4.1Å; L843-L847 WeakPolarHBondContact O-CB 3.49Å; L843-L847 VanDerWaalsContact O-CG 3.28Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 3.14Å
844	R	75.2	Confident	74	Confident	174 Å²	174	101 Å²	101	66%	0.657	48%	0.477	S	S	*	.	H	α-helix	trans	-56.2	-42.9	172.3	173.2	-177.9	-88.6	156.3	-11.6	111.9	P840 D841 S848	P840-R844 VanDerWaalsContact O-CB 3.31Å; P840-R844 WeakPolarHBondContact O-CB 3.34Å; P840-R844 PolarHBondContact O-N 3.07Å; D841-R844 IonicContact OD1-NH1 2.62Å; D841-R844 PolarHBondContact OD1-NH1 3.41Å; R844-S848 WeakPolarHBondContact O-CB 3.48Å; R844-S848 PolarHBondContact O-N 3.28Å
845	T	79.3	Confident	73.9	Confident	81 Å²	81	97.5 Å²	97.5	50%	0.497	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-42	177.9	-57.8	0	0	0	0	111.7	D841 R842 L843 S848 N849	D841-T845 WeakPolarHBondContact O-CB 3.44Å; D841-T845 PolarHBondContact O-N 3.23Å; D841-T845 PolarHBondContact O-OG1 3.08Å; R842-T845 PolarHBondContact O-N 3.03Å; L843-T845 VanDerWaalsContact C-N 3.3Å; L843-T845 PolarHBondContact O-N 3.24Å; T845-S848 PolarHBondContact O-N 2.8Å; T845-N849 PolarHBondContact O-N 2.95Å; T845-N849 PolarHBondContact O-ND2 3.09Å
846	Y	78.4	Confident	73.5	Confident	88 Å²	88	97 Å²	97	35%	0.345	49%	0.487	S	S	.	.	H	α-helix	trans	-60.4	-49.5	174.2	176.8	-97.3	0	0	0	111.6	A832 R842 L843 S848 N849 L850	A832-Y846 HydrophobicContact CB-CE1 4.14Å; R842-Y846 WeakPolarHBondContact O-CB 3.47Å; R842-Y846 PolarHBondContact O-N 3.45Å; L843-Y846 WeakPolarHBondContact O-CB 3.25Å; L843-Y846 PolarHBondContact O-N 3.48Å; Y846-S848 VanDerWaalsContact C-N 3.35Å; Y846-S848 PolarHBondContact O-N 3.13Å; Y846-N849 CarbonylContact O-C 3.12Å; Y846-N849 PolarHBondContact O-N 3.36Å; Y846-N849 VanDerWaalsContact O-N 3.13Å; Y846-L850 HydrophobicContact CD1-CD1 4.16Å; Y846-L850 HydrophobicContact CE1-CD1 3.42Å; Y846-L850 VanDerWaalsContact CE1-CD1 3.42Å; Y846-L850 PolarHBondContact O-N 2.96Å
847	L	78.8	Confident	73.1	Confident	68 Å²	68	99.5 Å²	99.5	36%	0.356	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-39	177.2	-68.4	170.7	0	0	0	112.4	L829 L843 L850 K851	L829-L847 HydrophobicContact CD2-CD2 3.47Å; L829-L847 VanDerWaalsContact CD2-CD2 3.47Å; L843-L847 HydrophobicContact CD1-CD1 4.37Å; L843-L847 HydrophobicContact CD1-CG 4.36Å; L843-L847 HydrophobicContact CG-CD1 4.1Å; L843-L847 WeakPolarHBondContact O-CB 3.49Å; L843-L847 VanDerWaalsContact O-CG 3.28Å; L843-L847 WeakPolarHBondContact O-CG 3.42Å; L843-L847 PolarHBondContact O-N 3.14Å; L847-L850 PolarHBondContact O-N 3.37Å; L847-K851 PolarHBondContact O-N 3.4Å
848	S	77.3	Confident	72.8	Confident	58 Å²	58	95.3 Å²	95.3	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-61.7	-42.9	172.6	-178.7	0	0	0	0	112	R844 T845 Y846 L850 K851 K852	R844-S848 WeakPolarHBondContact O-CB 3.48Å; R844-S848 PolarHBondContact O-N 3.28Å; T845-S848 PolarHBondContact O-N 2.8Å; Y846-S848 VanDerWaalsContact C-N 3.35Å; Y846-S848 PolarHBondContact O-N 3.13Å; S848-L850 VanDerWaalsContact C-N 3.34Å; S848-K851 PolarHBondContact O-N 3.1Å; S848-K852 WeakPolarHBondContact O-CG 3.47Å; S848-K852 PolarHBondContact O-N 2.96Å
849	N	78.4	Confident	72	Confident	81 Å²	81	96.2 Å²	96.2	43%	0.433	49%	0.487	S	S	.	.	H	α-helix	trans	-69.5	-30.5	175.3	-71.1	-22.8	0	0	0	112.6	T845 Y846 K852 K853	T845-N849 PolarHBondContact O-N 2.95Å; T845-N849 PolarHBondContact O-ND2 3.09Å; Y846-N849 CarbonylContact O-C 3.12Å; Y846-N849 PolarHBondContact O-N 3.36Å; Y846-N849 VanDerWaalsContact O-N 3.13Å; N849-K852 PolarHBondContact O-N 3.27Å; N849-K853 PolarHBondContact O-N 2.68Å
850	L	78.1	Confident	70.7	Confident	11 Å²	11	101.4 Å²	101.4	6%	0.058	50%	0.501	C	S	.	.	H	α-helix	trans	-70.1	-40.9	173.9	-131.2	152.8	0	0	0	111.6	L825 R828 Y846 L847 S848 K852 K853 Y854	L825-L850 HydrophobicContact CD1-CD2 3.62Å; R828-L850 HydrophobicContact CB-CD1 3.97Å; R828-L850 HydrophobicContact CB-CD2 4.25Å; Y846-L850 HydrophobicContact CD1-CD1 4.16Å; Y846-L850 HydrophobicContact CE1-CD1 3.42Å; Y846-L850 VanDerWaalsContact CE1-CD1 3.42Å; Y846-L850 PolarHBondContact O-N 2.96Å; L847-L850 PolarHBondContact O-N 3.37Å; S848-L850 VanDerWaalsContact C-N 3.34Å; L850-K852 VanDerWaalsContact C-N 3.34Å; L850-K852 PolarHBondContact O-N 3.06Å; L850-K853 PolarHBondContact O-N 3.37Å; L850-Y854 PolarHBondContact O-N 2.97Å
851	K	77.8	Confident	68.8	Low	161 Å²	161	100.4 Å²	100.4	70%	0.7	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-40.7	169.9	-175.4	175.6	-179.6	176.7	0	111.9	L847 S848 A855	L847-K851 PolarHBondContact O-N 3.4Å; S848-K851 PolarHBondContact O-N 3.1Å; K851-A855 WeakPolarHBondContact O-CB 3.32Å; K851-A855 PolarHBondContact O-N 3.02Å
852	K	77	Confident	67.1	Low	138 Å²	138	101 Å²	101	60%	0.6	51%	0.507	S	S	*	.	H	α-helix	trans	-65.1	-39.4	173.8	-74.2	177	-179.4	178.7	0	112.7	S848 N849 L850 A855 G856	S848-K852 WeakPolarHBondContact O-CG 3.47Å; S848-K852 PolarHBondContact O-N 2.96Å; N849-K852 PolarHBondContact O-N 3.27Å; L850-K852 VanDerWaalsContact C-N 3.34Å; L850-K852 PolarHBondContact O-N 3.06Å; K852-A855 PolarHBondContact O-N 3.41Å; K852-G856 PolarHBondContact O-N 2.99Å
853	K	71.1	Confident	65.2	Low	129 Å²	129	96.4 Å²	96.4	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-62.7	-52.2	173.4	-80.1	-171	173.2	-172	0	111.3	N849 L850 A855 G856 D857	N849-K853 PolarHBondContact O-N 2.68Å; L850-K853 PolarHBondContact O-N 3.37Å; K853-A855 PolarHBondContact O-N 2.89Å; K853-A855 VanDerWaalsContact O-N 3.15Å; K853-G856 CarbonylContact O-C 3.54Å; K853-G856 WeakPolarHBondContact O-CA 3.48Å; K853-G856 PolarHBondContact O-N 3.09Å; K853-D857 WeakPolarHBondContact O-CB 3.32Å; K853-D857 PolarHBondContact O-N 3.06Å
854	Y	72.9	Confident	62.9	Low	66 Å²	66	101.1 Å²	101.1	26%	0.259	54%	0.541	S	S	.	.	H	α-helix	trans	-54.6	-37	176.3	177.9	-99.4	0	0	0	113.2	A821 V822 L825 L850 F858	A821-Y854 HydrophobicContact CB-CD2 4.12Å; A821-Y854 HydrophobicContact CB-CE2 3.9Å; V822-Y854 HydrophobicContact CG2-CE2 4.04Å; L825-Y854 HydrophobicContact CB-CD2 3.99Å; L825-Y854 HydrophobicContact CB-CE2 4.48Å; L825-Y854 HydrophobicContact CD2-CD1 4.23Å; L825-Y854 HydrophobicContact CD2-CD2 3.71Å; L825-Y854 HydrophobicContact CD2-CE1 4.46Å; L825-Y854 HydrophobicContact CD2-CE2 3.95Å; L825-Y854 HydrophobicContact CD2-CG 3.86Å; L825-Y854 HydrophobicContact CG-CD2 4.38Å; L850-Y854 PolarHBondContact O-N 2.97Å; Y854-F858 WeakPolarHBondContact O-CB 3.26Å
855	A	67.5	Low	60.9	Low	68 Å²	68	98.2 Å²	98.2	56%	0.562	54%	0.544	S	S	*	.	H	α-helix	trans	-74.9	-24.9	174.2	0	0	0	0	0	114.4	K851 K852 K853	K851-A855 WeakPolarHBondContact O-CB 3.32Å; K851-A855 PolarHBondContact O-N 3.02Å; K852-A855 PolarHBondContact O-N 3.41Å; K853-A855 PolarHBondContact O-N 2.89Å; K853-A855 VanDerWaalsContact O-N 3.15Å
856	G	63.7	Low	58.8	Low	52 Å²	52	103.5 Å²	103.5	54%	0.536	56%	0.563	S	S	.	*	H	α-helix	trans	-84.9	-31.4	175.5	0	0	0	0	0	113.6	K852 K853 F858	K852-G856 PolarHBondContact O-N 2.99Å; K853-G856 CarbonylContact O-C 3.54Å; K853-G856 WeakPolarHBondContact O-CA 3.48Å; K853-G856 PolarHBondContact O-N 3.09Å; G856-F858 PolarHBondContact O-N 3.22Å
857	D	59.2	Low	56.8	Low	99 Å²	99	108.6 Å²	108.6	53%	0.529	59%	0.588	S	S	.	*	S	Bend	trans	-71	0.2	170.2	-58.2	-31.4	0	0	0	111.5	K853 P859	K853-D857 WeakPolarHBondContact O-CB 3.32Å; K853-D857 PolarHBondContact O-N 3.06Å; D857-P859 WeakPolarHBondContact O-CD 3.31Å
858	F	56.8	Low	54.4	Low	96 Å²	96	111.7 Å²	111.7	42%	0.421	61%	0.609	S	S	.	*			trans	-113.1	52.5	-178.6	-157.3	-93.9	0	0	0	115	R818 Y854 G856	R818-F858 HydrophobicContact CG-CE2 4.45Å; Y854-F858 WeakPolarHBondContact O-CB 3.26Å; G856-F858 PolarHBondContact O-N 3.22Å
859	P	51.1	Low	52.3	Low	97 Å²	97	117.8 Å²	117.8	63%	0.63	63%	0.631	S	S	*	*			trans	-90.8	127.9	178.5	35	-32.2	0	0	0	113.7	D857	D857-P859 WeakPolarHBondContact O-CD 3.31Å
860	R	41.6	Very low	49.9	Very low	245 Å²	245	127 Å²	127	93%	0.925	67%	0.672	S	S	*	*	S	Bend	trans	70	29.9	158.9	-57.5	-178.1	171.9	177.3	-2.4	119.2
861	A	35	Very low	48.5	Very low	69 Å²	69	132.8 Å²	132.8	57%	0.57	70%	0.702	S	S	*	*	S	Bend	trans	-77.5	-18	167.2	0	0	0	0	0	114.6
862	V	37.4	Very low	47	Very low	114 Å²	114	131.3 Å²	131.3	69%	0.691	70%	0.702	S	S	*	*			trans	-119.3	98.7	-177.1	-176	0	0	0	0	110.7
863	G	33.8	Very low	45.3	Very low	84 Å²	84	130.9 Å²	130.9	87%	0.866	71%	0.708	S	S	*	*			trans	-108.3	39.3	165.8	0	0	0	0	0	111.7
864	L	30.6	Very low	43.8	Very low	145 Å²	145	131 Å²	131	76%	0.759	72%	0.717	S	S	*	*	S	Bend	trans	-127.2	147.2	178.4	-79.2	166.9	0	0	0	109.1
865	P	32.7	Very low	42	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	75%	0.745	S	S	*	*			trans	-74.3	156.9	-167.5	30.5	-36.5	0	0	0	113.5	K867	P865-K867 PolarHBondContact O-N 3.42Å
866	E	36.8	Very low	40.3	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	76%	0.758	S	S	*	*			trans	-59.6	106	177.2	-63.3	172.1	131.7	0	0	112.1
867	K	35.2	Very low	38.6	Very low	196 Å²	196	145.8 Å²	145.8	85%	0.852	77%	0.773	S	S	*	*			trans	-179.4	131.9	162.5	-98.4	145.2	-173.9	177	0	106.8	P865	P865-K867 PolarHBondContact O-N 3.42Å
868	T	29.6	Very low	37	Very low	133 Å²	133	149.4 Å²	149.4	82%	0.816	79%	0.792	S	S	*	*			cis	-130.9	175.2	11	45.1	0	0	0	0	112.2
869	E	32.8	Very low	35.4	Very low	186 Å²	186	153.8 Å²	153.8	87%	0.869	82%	0.823	S	S	*	*			trans	-70.8	131.5	167.5	-60.3	159.3	120.2	0	0	110.8
870	E	28	Very low	33.9	Very low	273 Å²	273	159 Å²	159	100%	1.276	84%	0.841	S	S	*	*			trans	-173.7	0	138.6	-104.5	177.4	-171.2	0	0	110.4

Retrieved 870 of 870 residues in 4218.3 ms (Link to these results)

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