A0A087XDU9_POEFO Loading...

SEC24 homolog B, COPII coat complex component

AlphaFold DB , UniProt , Accession A0A087XDU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,215 aa.

						>A0A087XDU9_POEFO|A0A087XDU9
MSAPGFTNLDSSSAGYNQNPTSNGGAAPPCQNGPLPTHPSMYPPAGYYGVPPPQQSYPSIPSHATSAPSKASITSSAHSQNYYQKNHQQQQQQQQTQLPQHQVAPSPYSAPPPSQPYATLPSLAPPPSNAQFNQQAFQQQQTLYTTPGPYYGQQSYRASPAHPRHHHHHHHQQQQHHPSLVSPPAAAPVYPDVSYPSAPASSQYAPHTSSNTSTPGVMSTQMGAPLHQFSALPPASTAVQPGYGTGHQTAATVNGKGSTEAAVQNNIHQHYDQSHQAPHNYNSYSGVTQSSGGADGDRPPSGTPSASVHSSPSHHQSLRYGYVANSGASSASATTSGAAAAPSSSSTDDDDEEEDEDEEAGGDTSSSSTGSASPVPNNYDSLEGGSYPDSMPPSNNMTNQAPPFGSYGYHGMQSAYQHGQAPRPDASPSHSVYSQPGYQQYSQPFPNLSQLSAALGGLSGVPELEMEALRPVNLLQERNLLPSRPLEAPEPNLSPDLKKVNCSPQTFRCTLTSIPQTQALLNKARLPLGLLLHPFRDLQQLPVITSNTIVRCRSCRTYINPFVTFLDQRRWKCNLCYRVNDVPDEFMYNPVTRSYGEPHKRPEVQNSTVEFIASSDYMLRPPQPAVYLFVLDVSHNAVEAGYLKYFCESLLENLDKLPGDARTKVGFLTFDNTVHFYNLQEGLSQPQMLVVSDIDDVFIPSHDSLMVNLKESKELVKELLTSLPAMFSQSRETHSALGPALQAAFKLMSPTGGRVTLFQTQLPTLGAGKLQSREDPNQRSSTKGAQHLGPATDFYKKLALDCSGQQIGVDLFLLSSQYADLSSLACVSKYSAGSVFYYPSFHHIHNPAQLEKFQRDLDRYLTRKVGFEAVMRIRCTKGLSIHTFHGNFFVRSTDLLSLANVNPDSAFAVQMSIEDSLADSSLACFQAALLYTSSKGKRRIRVHTLCLPVVSQLSDVYAGADVQAITCLLANMAIDRSISSSLSDARDALVNAVVDFVSAYKSSVSNLQQSGVVVPAAMRLFPLYILALLKQKALRTGTSTRLDERIFAMCEFKTQPLPQLMRMLHPDLYRLDNMSDQGALHLNDTVVPQPHLLHLSAERLSRDGAFLMDCGNVFYLWISKCCNETFIRDVLGCSSYASIPPNMSHIPDLQTPLSERVRAFLDWLQDNRAFSSPIHIIKDDVSAKATLFQHLVEDRSESASSYHEFLQHIQQQMSK
					

Structure Viewer

Loading PAE data...

(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	28.7	Very low	29.6	Very low	231 Å²	231	139.1 Å²	139.1	100%	1.138	83%	0.829	S	S	*	*				0	144.2	0	-86.1	-170.7	170.8	0	0	110.6
2	S	28.5	Very low	29.4	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	82%	0.823	S	S	*	*			trans	63.1	94.4	158.9	-50.7	0	0	0	0	119.1
3	A	29.7	Very low	29.1	Very low	97 Å²	97	134.7 Å²	134.7	80%	0.802	82%	0.821	S	S	*	*			trans	-82.3	165.8	156.9	0	0	0	0	0	111.6
4	P	45.8	Very low	29.1	Very low	132 Å²	132	132.9 Å²	132.9	86%	0.857	83%	0.826	S	S	*	*				-134.8	168.3	116.2	38.3	-29.5	0	0	0	111.8
5	G	25	Very low	28.9	Very low	70 Å²	70	128.7 Å²	128.7	72%	0.722	82%	0.82	S	S	*	*			cis	150.7	107.5	-0.8	0	0	0	0	0	110.1
6	F	29.4	Very low	28.7	Very low	201 Å²	201	132.8 Å²	132.8	88%	0.882	82%	0.816	S	S	*	*			trans	-80.8	146	-177	-92.9	-95.5	0	0	0	113
7	T	27.8	Very low	28.4	Very low	137 Å²	137	133.5 Å²	133.5	84%	0.84	81%	0.814	S	S	*	*			trans	-142.3	121.2	155.7	47.3	0	0	0	0	110.3
8	N	28.4	Very low	28.2	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	81%	0.805	S	S	*	*			trans	-80.8	157.2	163.3	-76.3	-8.1	0	0	0	110.2
9	L	27	Very low	28.2	Very low	176 Å²	176	134.4 Å²	134.4	92%	0.921	80%	0.803	S	S	*	*			trans	-154.5	125.3	146.6	-114	169.9	0	0	0	109.8
10	D	28.2	Very low	29	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	80%	0.799	S	S	*	*			trans	-96.1	151.4	-173.4	-94.7	-62.6	0	0	0	113.4
11	S	27.6	Very low	28.9	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	80%	0.796	S	S	*	*			trans	64	131.8	150.9	74.2	0	0	0	0	120.1
12	S	26.6	Very low	29.1	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	78%	0.776	S	S	*	*				179.9	144.7	98.5	40.5	0	0	0	0	114.2
13	S	26.2	Very low	29.4	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	78%	0.78	S	S	*	*			trans	40.8	120	154.2	56.1	0	0	0	0	121.9
14	A	29.2	Very low	29.2	Very low	109 Å²	109	127.8 Å²	127.8	90%	0.901	78%	0.778	S	S	*	*			trans	-82.3	154.2	151.7	0	0	0	0	0	111.4
15	G	25.6	Very low	28.3	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	78%	0.777	S	S	*	*			trans	-172.3	83.2	-178.2	0	0	0	0	0	117.1
16	Y	25.4	Very low	28.4	Very low	194 Å²	194	126.6 Å²	126.6	76%	0.761	78%	0.78	S	S	*	*			trans	16.3	120.7	152.1	-79.9	-93.6	0	0	0	122.1	Q18	Y16-Q18 HydrophobicContact CD1-CG 4.48Å
17	N	22.9	Very low	28.3	Very low	145 Å²	145	121.8 Å²	121.8	78%	0.775	78%	0.777	S	S	*	*				-177.7	125.6	107.8	-87.9	-29.9	0	0	0	109.3
18	Q	25.6	Very low	29.8	Very low	140 Å²	140	121 Å²	121	65%	0.654	78%	0.775	S	S	*	*				77.9	92.7	63.3	-73	-155.7	24.1	0	0	116.1	Y16	Y16-Q18 HydrophobicContact CD1-CG 4.48Å
19	N	29	Very low	30.5	Very low	143 Å²	143	119.6 Å²	119.6	77%	0.765	77%	0.773	S	S	*	*			trans	62.8	175.5	139	-71	-17.7	0	0	0	119
20	P	42.6	Very low	30.5	Very low	111 Å²	111	116.3 Å²	116.3	72%	0.721	76%	0.764	S	S	*	*			cis	-126.8	146.3	-3.7	17.5	7.6	0	0	0	117.8
21	T	28	Very low	30.5	Very low	119 Å²	119	118.4 Å²	118.4	73%	0.73	77%	0.77	S	S	*	*			trans	25.2	160.4	134.3	64.2	0	0	0	0	125.4
22	S	32.8	Very low	30.6	Very low	103 Å²	103	121.3 Å²	121.3	72%	0.72	78%	0.777	S	S	*	*			trans	100.3	149	139.2	91.8	0	0	0	0	117.9
23	N	34.3	Very low	30.6	Very low	167 Å²	167	119.1 Å²	119.1	89%	0.893	77%	0.772	S	S	*	*			cis	-161.6	170.7	-7.8	-133.5	-14.2	0	0	0	115.4
24	G	25.7	Very low	31.2	Very low	74 Å²	74	120 Å²	120	76%	0.763	77%	0.774	S	S	*	*			trans	101.5	139.4	161.2	0	0	0	0	0	114.9
25	G	26.4	Very low	31.4	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	77%	0.771	S	S	*	*			cis	-177.3	-170.5	-3.4	0	0	0	0	0	107.7
26	A	27.7	Very low	31.9	Very low	97 Å²	97	124.4 Å²	124.4	80%	0.802	77%	0.771	S	S	*	*			cis	-170.1	153.1	-19.4	0	0	0	0	0	108.5
27	A	27.3	Very low	31.9	Very low	99 Å²	99	120.6 Å²	120.6	82%	0.818	77%	0.768	S	S	*	*			trans	67.1	158.8	159.8	0	0	0	0	0	121.9
28	P	60.2	Low	32.6	Very low	122 Å²	122	123 Å²	123	79%	0.792	78%	0.775	S	S	*	*			trans	-117.6	-153.2	-175.4	36.8	-13.5	0	0	0	110.1
29	P	43.3	Very low	33	Very low	106 Å²	106	121.5 Å²	121.5	69%	0.688	78%	0.777	S	S	*	*			cis	-146.9	-170.5	6.4	46.3	-25.6	0	0	0	118.5
30	C	25.8	Very low	32.8	Very low	108 Å²	108	120 Å²	120	73%	0.73	78%	0.777	S	S	*	*			trans	75.8	132.1	150.2	-73.1	0	0	0	0	122.2
31	Q	28.4	Very low	32.4	Very low	173 Å²	173	123 Å²	123	81%	0.808	78%	0.784	S	S	*	*			trans	56.6	110.7	145.1	-64.9	-179.8	-8.9	0	0	120.1
32	N	28.8	Very low	32.6	Very low	164 Å²	164	128.4 Å²	128.4	88%	0.877	79%	0.793	S	S	*	*				-155.2	142.1	102.3	-102.5	-36.5	0	0	0	112.8
33	G	28.1	Very low	33.8	Very low	63 Å²	63	128.7 Å²	128.7	65%	0.649	79%	0.792	S	S	*	*			trans	-97.3	-163.2	161.8	0	0	0	0	0	110.5
34	P	38.7	Very low	34.3	Very low	130 Å²	130	126.7 Å²	126.7	84%	0.844	79%	0.788	S	S	*	*			cis	-113.5	159.5	29	38.8	-33	0	0	0	116.4
35	L	32.5	Very low	34.5	Very low	161 Å²	161	127.8 Å²	127.8	84%	0.843	79%	0.79	S	S	*	*			trans	-88.5	151.4	163.1	-87.6	149.5	0	0	0	110.1
36	P	37	Very low	34.5	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	78%	0.783	S	S	*	*				-139	166.6	94.4	26.3	-6.4	0	0	0	112.6
37	T	24.5	Very low	34.5	Very low	114 Å²	114	132.6 Å²	132.6	70%	0.699	79%	0.785	S	S	*	*			cis	-162.3	151.8	-6.3	14.5	0	0	0	0	109.4
38	H	37.8	Very low	34.6	Very low	196 Å²	196	138.5 Å²	138.5	91%	0.907	79%	0.787	S	S	*	*			trans	-137.9	105.3	153.6	-106.2	-43.9	0	0	0	110.1
39	P	34.2	Very low	33	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	78%	0.779	S	S	*	*			trans	-133.7	-179.1	130.2	41.5	-31.2	0	0	0	109.4
40	S	24.4	Very low	32.3	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	79%	0.789	S	S	*	*			cis	-150.4	147.1	4.6	46.1	0	0	0	0	110.6
41	M	35.3	Very low	33.2	Very low	175 Å²	175	137.6 Å²	137.6	86%	0.862	79%	0.788	S	S	*	*			trans	-78.3	155.4	157.8	-70.9	173.8	136.9	0	0	111.1
42	Y	30.8	Very low	34.6	Very low	233 Å²	233	135 Å²	135	91%	0.914	79%	0.786	S	S	*	*			trans	-175.2	170	136.6	-92.6	-41.9	0	0	0	111.7
43	P	57.7	Low	35.5	Very low	108 Å²	108	132 Å²	132	70%	0.701	78%	0.776	S	S	*	*			trans	-122.6	-154.6	-156.8	41.9	-21.7	0	0	0	111.2
44	P	46.7	Very low	35.4	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	78%	0.781	S	S	*	*			cis	-116.6	-144.4	-11.2	30.3	-5	0	0	0	110.5
45	A	28.9	Very low	34.9	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	78%	0.776	S	S	*	*			cis	-159.6	172.8	5.6	0	0	0	0	0	109.4
46	G	26	Very low	34.5	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	78%	0.777	S	S	*	*			cis	159.5	114.2	-11.7	0	0	0	0	0	114.1
47	Y	27.2	Very low	34.5	Very low	211 Å²	211	141.9 Å²	141.9	83%	0.827	79%	0.785	S	S	*	*			trans	58.9	139.8	156.6	-90.6	-89.9	0	0	0	123.4
48	Y	30	Very low	35.3	Very low	224 Å²	224	141.7 Å²	141.7	88%	0.878	79%	0.786	S	S	*	*			trans	63.5	151.3	174.8	-58.4	-79.5	0	0	0	116.1
49	G	27.8	Very low	34.6	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	78%	0.776	S	S	*	*			cis	160.9	164.1	-6.3	0	0	0	0	0	111.7
50	V	27.9	Very low	34.9	Very low	146 Å²	146	139.7 Å²	139.7	89%	0.885	78%	0.782	S	S	*	*			trans	79.9	138	174.1	-169.9	0	0	0	0	116.8
51	P	44.6	Very low	35.6	Very low	110 Å²	110	139.7 Å²	139.7	71%	0.714	78%	0.78	S	S	*	*			trans	-109	-167.6	174.8	44.4	-36.9	0	0	0	112.4
52	P	58.2	Low	35.3	Very low	119 Å²	119	135.4 Å²	135.4	77%	0.773	77%	0.767	S	S	*	*			cis	-115.9	-108.4	-9	26.5	-0	0	0	0	109.7
53	P	47.4	Very low	35.5	Very low	102 Å²	102	133 Å²	133	66%	0.662	76%	0.763	S	S	*	*			cis	-133.1	175	-24.4	42.3	-24	0	0	0	117.5
54	Q	26.3	Very low	34.1	Very low	160 Å²	160	131.9 Å²	131.9	75%	0.748	76%	0.764	S	S	*	*			trans	55.4	116.3	149.3	-80.3	-179.8	-42.9	0	0	124.3
55	Q	28.4	Very low	33.2	Very low	162 Å²	162	132.4 Å²	132.4	76%	0.757	76%	0.764	S	S	*	*				39.6	119.6	121.6	-62.5	174.6	-53.9	0	0	120.8
56	S	24.3	Very low	33.1	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	76%	0.764	S	S	*	*			trans	-162.1	103	144.5	-79.1	0	0	0	0	113.6
57	Y	37.2	Very low	33.4	Very low	227 Å²	227	134.3 Å²	134.3	89%	0.89	77%	0.767	S	S	*	*				-81.2	155.4	127.3	-85.9	-90.6	0	0	0	105.8
58	P	40.2	Very low	34.8	Very low	110 Å²	110	130 Å²	130	71%	0.714	77%	0.765	S	S	*	*			cis	-155.7	-152.6	44.5	42	-17.8	0	0	0	116.1
59	S	22.8	Very low	35	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	76%	0.756	S	S	*	*			trans	80	98.9	145.4	51.6	0	0	0	0	122.5
60	I	40.6	Very low	35.1	Very low	163 Å²	163	130.1 Å²	130.1	84%	0.836	77%	0.765	S	S	*	*			trans	-46.1	132.5	134.1	-66	158.5	0	0	0	110.1
61	P	39.3	Very low	35.4	Very low	111 Å²	111	127.5 Å²	127.5	72%	0.721	76%	0.759	S	S	*	*				-156.4	-172.2	97.8	38.8	-18.6	0	0	0	115.5
62	S	29.1	Very low	34.8	Very low	85 Å²	85	127 Å²	127	59%	0.594	76%	0.758	S	S	*	*				-174.4	157.3	-56.8	64.6	0	0	0	0	109.8
63	H	34	Very low	33.7	Very low	181 Å²	181	128.6 Å²	128.6	84%	0.838	76%	0.759	S	S	*	*			trans	62.8	164.7	168.9	-62.7	-62.5	0	0	0	117.8
64	A	29.4	Very low	33	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	76%	0.762	S	S	*	*			cis	-135	171.6	10.9	0	0	0	0	0	111.9
65	T	27.2	Very low	33.2	Very low	136 Å²	136	126.9 Å²	126.9	83%	0.834	76%	0.762	S	S	*	*			cis	-126.6	-128.1	11.3	-34	0	0	0	0	111.5
66	S	27.6	Very low	33.4	Very low	113 Å²	113	124.2 Å²	124.2	79%	0.79	76%	0.761	S	S	*	*			cis	-146.6	-163.7	3.7	71.3	0	0	0	0	111.4
67	A	32.5	Very low	33.9	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	75%	0.753	S	S	*	*			trans	-162.5	-178.7	-176	0	0	0	0	0	110.8
68	P	56.6	Low	33.9	Very low	122 Å²	122	120.3 Å²	120.3	79%	0.792	75%	0.751	S	S	*	*			cis	-123.6	-166.5	-4.8	44.2	-29.3	0	0	0	111.6
69	S	33.8	Very low	33.6	Very low	99 Å²	99	119.6 Å²	119.6	69%	0.692	75%	0.749	S	S	*	*			cis	-160.3	-175.9	-16.6	41.2	0	0	0	0	106.1
70	K	30.6	Very low	34	Very low	186 Å²	186	122.6 Å²	122.6	81%	0.809	75%	0.752	S	S	*	*			cis	-144.9	159.5	22.1	-71.7	-177.7	-177.1	176.6	0	108.2
71	A	33.3	Very low	33.5	Very low	91 Å²	91	120.3 Å²	120.3	75%	0.752	74%	0.741	S	S	*	*				74.7	123.8	54.5	0	0	0	0	0	114.5
72	S	32.1	Very low	33.1	Very low	99 Å²	99	124 Å²	124	69%	0.692	74%	0.742	S	S	*	*			cis	-174.8	153.4	5.9	40.2	0	0	0	0	117.1
73	I	35	Very low	33.1	Very low	154 Å²	154	129 Å²	129	79%	0.79	75%	0.749	S	S	*	*			trans	79.8	142.5	144.5	-73.8	163.6	0	0	0	117.6
74	T	31.8	Very low	32.8	Very low	118 Å²	118	128 Å²	128	72%	0.724	75%	0.745	S	S	*	*			cis	-149.6	154.1	35.1	-25.4	0	0	0	0	115.7
75	S	32	Very low	32.7	Very low	107 Å²	107	132.3 Å²	132.3	75%	0.748	75%	0.748	S	S	*	*			trans	73.1	160.3	151.9	-74.1	0	0	0	0	121.3
76	S	32.2	Very low	32.7	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	74%	0.739	S	S	*	*			cis	-177.2	166.3	-25.2	59	0	0	0	0	114.6
77	A	34.3	Very low	32.9	Very low	82 Å²	82	133.5 Å²	133.5	68%	0.678	74%	0.735	S	S	*	*			trans	93.9	178.3	147	0	0	0	0	0	122.2
78	H	37.2	Very low	32.8	Very low	185 Å²	185	136.1 Å²	136.1	86%	0.856	73%	0.732	S	S	*	*			trans	-162.5	171.1	-138	-71.7	-10.2	0	0	0	111.9
79	S	34.8	Very low	31.7	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	72%	0.722	S	S	*	*			cis	-177.8	-161.9	-17.7	60.6	0	0	0	0	110.8
80	Q	31.3	Very low	31.7	Very low	163 Å²	163	138.1 Å²	138.1	76%	0.762	72%	0.72	S	S	*	*			trans	85.4	141	166.9	-58	-157.3	9.6	0	0	119.1
81	N	29.3	Very low	31.9	Very low	115 Å²	115	135.8 Å²	135.8	62%	0.615	71%	0.711	S	S	*	*			cis	-156.9	137.3	-2.9	-105.2	-10	0	0	0	115.9
82	Y	30.5	Very low	31.9	Very low	187 Å²	187	137.7 Å²	137.7	73%	0.733	71%	0.705	S	S	*	*			trans	44	134.5	134.5	-83.8	-65.1	0	0	0	129.1
83	Y	29.9	Very low	31.9	Very low	191 Å²	191	140.4 Å²	140.4	75%	0.749	71%	0.706	S	S	*	*			trans	85	123.8	131.7	-93.9	-49.4	0	0	0	127
84	Q	26.6	Very low	31.7	Very low	159 Å²	159	140.6 Å²	140.6	74%	0.743	70%	0.704	S	S	*	*				106.3	118	118	-162.9	159.2	-28.5	0	0	125.1
85	K	27.8	Very low	31.7	Very low	178 Å²	178	142.6 Å²	142.6	77%	0.774	71%	0.705	S	S	*	*			trans	24.4	137.1	147.2	-80	-176.3	173.8	176.6	0	125.9
86	N	28.3	Very low	31.6	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	70%	0.699	S	S	*	*			trans	83.8	130.3	130.8	-84.7	16.2	0	0	0	125
87	H	31.6	Very low	31.4	Very low	151 Å²	151	145.9 Å²	145.9	70%	0.699	70%	0.704	S	S	*	*			trans	87.2	128.2	132.3	-89.6	-27.2	0	0	0	124.6
88	Q	30.9	Very low	31	Very low	146 Å²	146	149.6 Å²	149.6	68%	0.682	71%	0.712	S	S	*	*			trans	73.9	149.2	140.7	-65.7	-169.4	9.6	0	0	118.6
89	Q	32.3	Very low	31.9	Very low	127 Å²	127	145.5 Å²	145.5	59%	0.593	70%	0.701	S	S	*	*			cis	-161.2	156	-5.8	-125.6	-175.9	27	0	0	112.6
90	Q	33.8	Very low	31.7	Very low	136 Å²	136	148.9 Å²	148.9	64%	0.636	71%	0.707	S	S	*	*			trans	62.9	157	153.7	-61.9	-171.8	39	0	0	117.9
91	Q	34.2	Very low	31.6	Very low	136 Å²	136	148.3 Å²	148.3	64%	0.636	70%	0.703	S	S	*	*			cis	-160.7	167.3	-18.3	-105.1	176.1	22.4	0	0	106.1
92	Q	34.4	Very low	31.5	Very low	132 Å²	132	151 Å²	151	62%	0.617	71%	0.712	S	S	*	*			cis	-157.2	146.1	11.7	-135.5	173.9	57.2	0	0	110
93	Q	31.8	Very low	31.4	Very low	155 Å²	155	149.1 Å²	149.1	72%	0.724	72%	0.72	S	S	*	*			trans	54.2	135.8	156.8	-67	158.8	15.7	0	0	120.2
94	Q	31.7	Very low	31.5	Very low	159 Å²	159	144.1 Å²	144.1	74%	0.743	72%	0.718	S	S	*	*			cis	78.5	141.7	34	-61.7	-171.7	-11.5	0	0	114.2
95	Q	31.2	Very low	32.6	Very low	160 Å²	160	141.8 Å²	141.8	75%	0.748	72%	0.717	S	S	*	*			cis	-154.3	175.9	6.1	-131.1	170.5	7.1	0	0	115
96	T	29	Very low	32.9	Very low	99 Å²	99	138.7 Å²	138.7	61%	0.607	72%	0.718	S	S	*	*			trans	-58.7	163.7	-175.7	46.2	0	0	0	0	121.4
97	Q	27.7	Very low	34.3	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	72%	0.718	S	S	*	*				103.9	140.5	128.3	-92.3	159.3	12.4	0	0	124
98	L	27.1	Very low	34.3	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	73%	0.725	S	S	*	*			trans	-75.2	-175	170.8	-70.7	150.3	0	0	0	112.6
99	P	56.5	Low	34.1	Very low	99 Å²	99	139.1 Å²	139.1	64%	0.643	73%	0.73	S	S	*	*			cis	-139.1	-165.9	-37.8	35.4	-15	0	0	0	114
100	Q	29.5	Very low	34.3	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	74%	0.737	S	S	*	*			trans	72.1	153.9	160.2	-65.5	-179.3	-7.3	0	0	118
101	H	28.8	Very low	34.8	Very low	150 Å²	150	136.7 Å²	136.7	69%	0.694	74%	0.744	S	S	*	*			cis	-161.1	155.8	-19.2	-120.9	-45.3	0	0	0	111.8
102	Q	28.2	Very low	36	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	75%	0.749	S	S	*	*			trans	65.8	136.8	153.9	-66.7	-177.4	-0.9	0	0	122.5
103	V	28.1	Very low	37.2	Very low	148 Å²	148	134.8 Å²	134.8	90%	0.897	76%	0.755	S	S	*	*				172.4	156	128.1	153.1	0	0	0	0	110
104	A	32.3	Very low	37	Very low	86 Å²	86	133.3 Å²	133.3	71%	0.711	76%	0.762	S	S	*	*			trans	-131.2	-164.7	-178	0	0	0	0	0	110.4
105	P	49.8	Very low	36.9	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	77%	0.768	S	S	*	*			cis	-143.6	168.1	-4.9	43.5	-25	0	0	0	118.8
106	S	34.2	Very low	38	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	76%	0.763	S	S	*	*			trans	54.9	177.1	141.7	-63	0	0	0	0	122.9
107	P	57.2	Low	38.1	Very low	101 Å²	101	138.1 Å²	138.1	66%	0.656	78%	0.778	S	S	*	*			cis	-135.1	-171.5	-26.2	24.1	1.6	0	0	0	116.6
108	Y	31.8	Very low	38.2	Very low	217 Å²	217	133.5 Å²	133.5	85%	0.851	77%	0.771	S	S	*	*			trans	78.5	145.3	165.1	-65.2	-70.6	0	0	0	119.1
109	S	27.3	Very low	38.3	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	77%	0.773	S	S	*	*			cis	-152.7	172.6	5.8	-112.2	0	0	0	0	113.4
110	A	34.9	Very low	37.2	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	78%	0.782	S	S	*	*			trans	-118.8	-170.8	176.9	0	0	0	0	0	111.4
111	P	45.4	Very low	37.9	Very low	121 Å²	121	133.4 Å²	133.4	79%	0.786	78%	0.783	S	S	*	*			cis	-146.8	-140.6	32.8	50.6	-26.2	0	0	0	115.2
112	P	58.6	Low	37.9	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	79%	0.785	S	S	*	*			trans	-138.1	-131.4	-134.5	43.3	-16.2	0	0	0	114.5
113	P	59.1	Low	37.9	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	79%	0.79	S	S	*	*				-126.8	174.9	-51.4	38.6	-23.3	0	0	0	115
114	S	28.4	Very low	38.1	Very low	123 Å²	123	128.3 Å²	128.3	86%	0.86	78%	0.779	S	S	*	*			trans	179.3	160.6	138.9	50	0	0	0	0	114.8
115	Q	30.5	Very low	38.4	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	78%	0.784	S	S	*	*			trans	-127.3	-135.1	174.8	-75.9	-166	-20.4	0	0	113.5
116	P	54.3	Low	38.2	Very low	100 Å²	100	130.7 Å²	130.7	65%	0.649	79%	0.788	S	S	*	*				-124.3	-178.6	-113	40.6	-22.8	0	0	0	114.6
117	Y	30	Very low	38.7	Very low	232 Å²	232	130.7 Å²	130.7	91%	0.91	79%	0.785	S	S	*	*			trans	-153	153.1	161.5	-106	-75.2	0	0	0	114
118	A	31.2	Very low	37.5	Very low	87 Å²	87	130.7 Å²	130.7	72%	0.719	79%	0.788	S	S	*	*			trans	-156.9	143	170.5	0	0	0	0	0	110.5
119	T	29.1	Very low	37.4	Very low	145 Å²	145	127.7 Å²	127.7	89%	0.89	79%	0.786	S	S	*	*			trans	-166.2	153.9	157.2	14.3	0	0	0	0	113.6
120	L	32.6	Very low	37.4	Very low	158 Å²	158	126.5 Å²	126.5	83%	0.827	78%	0.783	S	S	*	*			trans	-80.1	177.3	167.7	-94.5	159	0	0	0	110.7
121	P	44.4	Very low	37.1	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	79%	0.785	S	S	*	*			cis	-148.2	-171.6	38	43.8	-21.5	0	0	0	118.8
122	S	28.3	Very low	36.3	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	78%	0.782	S	S	*	*			trans	-77.7	159.1	-179.6	-178.7	0	0	0	0	114.7
123	L	29.2	Very low	34.7	Very low	174 Å²	174	133.2 Å²	133.2	91%	0.911	78%	0.78	S	S	*	*			trans	-155.6	149.1	155.8	-110.8	168	0	0	0	110.6
124	A	30.9	Very low	33.3	Very low	81 Å²	81	134.8 Å²	134.8	67%	0.669	78%	0.778	S	S	*	*			trans	-119.9	158.1	-175.9	0	0	0	0	0	112.8
125	P	40.2	Very low	33.3	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	78%	0.775	S	S	*	*			trans	-82.7	157.1	171.1	-7.9	26.8	0	0	0	113.5
126	P	45.3	Very low	33.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	77%	0.765	S	S	*	*			trans	-91.3	171.4	-175.8	37.5	-37.3	0	0	0	114.6
127	P	44.7	Very low	31.8	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	78%	0.775	S	S	*	*			trans	-103.2	176.9	-176	41.1	-37.1	0	0	0	115.3
128	S	31.5	Very low	31.7	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	77%	0.767	S	S	*	*			trans	80.8	110.6	148.9	-61.8	0	0	0	0	121.9
129	N	28.9	Very low	31.6	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	77%	0.766	S	S	*	*				71.1	113.2	122.6	-70.7	-6	0	0	0	123.7
130	A	28.8	Very low	31.5	Very low	85 Å²	85	135.8 Å²	135.8	70%	0.702	75%	0.754	S	S	*	*				101.4	151.3	110	0	0	0	0	0	121.9
131	Q	28.1	Very low	31.3	Very low	172 Å²	172	135.2 Å²	135.2	80%	0.804	75%	0.747	S	S	*	*			trans	68.5	140.5	157.9	-77.8	174.9	4.8	0	0	118
132	F	27.4	Very low	30.4	Very low	165 Å²	165	135 Å²	135	72%	0.724	74%	0.744	S	S	*	*			cis	-121.8	144.9	-16.5	-90.4	-104.8	0	0	0	106.4
133	N	25.9	Very low	30.1	Very low	130 Å²	130	137 Å²	137	70%	0.695	75%	0.745	S	S	*	*				74.4	144.2	56.6	-164.1	20.3	0	0	0	114.9
134	Q	29.4	Very low	30	Very low	148 Å²	148	138 Å²	138	69%	0.692	74%	0.739	S	S	*	*			trans	73.5	115.9	177.6	-67.2	-176.6	-8.9	0	0	116
135	Q	29.5	Very low	29.6	Very low	173 Å²	173	140.2 Å²	140.2	81%	0.808	74%	0.744	S	S	*	*				79	140.2	75	-76.8	177.7	-25.6	0	0	113.1
136	A	26.3	Very low	29.3	Very low	79 Å²	79	140.3 Å²	140.3	65%	0.653	74%	0.742	S	S	*	*			cis	-164.3	169.9	-11.1	0	0	0	0	0	111.1
137	F	27	Very low	29.1	Very low	195 Å²	195	140.6 Å²	140.6	86%	0.855	74%	0.744	S	S	*	*			trans	22	117.8	146.1	-86.9	-96.4	0	0	0	120
138	Q	27.7	Very low	28.3	Very low	162 Å²	162	138 Å²	138	76%	0.757	74%	0.739	S	S	*	*				-178.8	148	97.1	-105.7	176	3	0	0	114.7
139	Q	29.3	Very low	29.2	Very low	148 Å²	148	138.6 Å²	138.6	69%	0.692	74%	0.74	S	S	*	*			trans	31.1	151.7	133.5	-67.2	-178.5	-10.6	0	0	122.9
140	Q	27.1	Very low	29.2	Very low	138 Å²	138	141.4 Å²	141.4	65%	0.645	74%	0.74	S	S	*	*			cis	-170	148.2	-21.3	-166.2	163.9	-40.1	0	0	109.6
141	Q	26.6	Very low	29.5	Very low	146 Å²	146	147.1 Å²	147.1	68%	0.682	75%	0.745	S	S	*	*			trans	48.4	106.1	155.2	-79	166.8	-32.3	0	0	122.3
142	T	26.7	Very low	29.4	Very low	118 Å²	118	142.7 Å²	142.7	72%	0.724	75%	0.745	S	S	*	*				63.7	135.4	124.7	59.8	0	0	0	0	122.3
143	L	22.6	Very low	29.5	Very low	146 Å²	146	141.7 Å²	141.7	76%	0.764	74%	0.743	S	S	*	*				-175.2	142.7	110.8	-93.7	156.4	0	0	0	113.5
144	Y	26.2	Very low	29.6	Very low	196 Å²	196	143.2 Å²	143.2	77%	0.769	75%	0.746	S	S	*	*			trans	59.5	140.4	156.6	-76.1	-60.9	0	0	0	125.9
145	T	22.8	Very low	29.5	Very low	127 Å²	127	140.3 Å²	140.3	78%	0.779	74%	0.742	S	S	*	*			trans	74	124.2	143.9	42.3	0	0	0	0	123.7
146	T	32.9	Very low	29.5	Very low	129 Å²	129	143.1 Å²	143.1	79%	0.791	75%	0.747	S	S	*	*			trans	-60.7	160.7	148.8	27.4	0	0	0	0	112.2
147	P	42.1	Very low	29.4	Very low	127 Å²	127	150.9 Å²	150.9	83%	0.825	76%	0.759	S	S	*	*				-149.6	-166.1	56.5	42.1	-20.1	0	0	0	117.3
148	G	28.4	Very low	29.3	Very low	60 Å²	60	145.9 Å²	145.9	62%	0.619	75%	0.754	S	S	*	*			trans	-75.5	-130.7	169.5	0	0	0	0	0	113
149	P	49.8	Very low	29.3	Very low	113 Å²	113	143.6 Å²	143.6	73%	0.734	76%	0.756	S	S	*	*			cis	-73.7	-144.7	10.6	-24.1	40.8	0	0	0	116.7
150	Y	29.5	Very low	30.4	Very low	213 Å²	213	142.7 Å²	142.7	84%	0.835	76%	0.763	S	S	*	*			cis	-146.2	-143.3	31.7	-119.8	-69.7	0	0	0	115.3
151	Y	34.6	Very low	30.4	Very low	205 Å²	205	140.8 Å²	140.8	80%	0.804	77%	0.771	S	S	*	*			trans	-112	146.4	-154.4	-104.1	-113.4	0	0	0	116.8
152	G	26.6	Very low	30.6	Very low	78 Å²	78	142.9 Å²	142.9	80%	0.804	78%	0.78	S	S	*	*			trans	175.6	105.7	165.2	0	0	0	0	0	111.6
153	Q	27.6	Very low	31.5	Very low	145 Å²	145	142.3 Å²	142.3	68%	0.678	78%	0.778	S	S	*	*			trans	-82.7	146.6	-164.1	-74.2	-179.9	-72	0	0	116.6
154	Q	29.4	Very low	31.8	Very low	162 Å²	162	145.7 Å²	145.7	76%	0.757	78%	0.781	S	S	*	*			trans	56.8	152.8	131.5	-65.7	174.4	-7.1	0	0	120.2
155	S	27.7	Very low	32	Very low	87 Å²	87	142.6 Å²	142.6	61%	0.608	77%	0.773	S	S	*	*			cis	-160.6	150.1	-13.2	-90.1	0	0	0	0	106.3
156	Y	27.6	Very low	32.3	Very low	231 Å²	231	143.1 Å²	143.1	91%	0.906	77%	0.766	S	S	*	*				-174.7	171	82.4	-107.3	-88.2	0	0	0	112.1
157	R	25.6	Very low	32.2	Very low	242 Å²	242	144 Å²	144	91%	0.913	76%	0.761	S	S	*	*			trans	-74.6	170.6	174.3	-65.8	175.7	166.6	167.3	-6.4	111.5
158	A	25.1	Very low	31.6	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	76%	0.756	S	S	*	*			cis	-157.8	164.7	25.1	0	0	0	0	0	116.8
159	S	27.3	Very low	31.8	Very low	115 Å²	115	150.1 Å²	150.1	80%	0.804	76%	0.762	S	S	*	*			trans	-136.1	-170.7	152.8	-39.7	0	0	0	0	106.1
160	P	51.6	Low	30.9	Very low	128 Å²	128	151.8 Å²	151.8	83%	0.831	76%	0.76	S	S	*	*			cis	-130.4	-172.5	-16.8	41.7	-26.2	0	0	0	112.5
161	A	26.7	Very low	31	Very low	98 Å²	98	149.3 Å²	149.3	81%	0.81	76%	0.756	S	S	*	*			trans	-156.2	119.1	153.6	0	0	0	0	0	114
162	H	30.9	Very low	30.8	Very low	191 Å²	191	149.1 Å²	149.1	88%	0.884	76%	0.762	S	S	*	*			trans	-101.1	176.5	154.9	-92	-33.6	0	0	0	107.5
163	P	46.3	Very low	31	Very low	106 Å²	106	153.5 Å²	153.5	69%	0.688	76%	0.762	S	S	*	*			cis	-150	177.1	23.3	44.2	-23.6	0	0	0	119.5
164	R	28.1	Very low	31.1	Very low	216 Å²	216	154.1 Å²	154.1	82%	0.815	77%	0.765	S	S	*	*			trans	71.2	132.5	135.2	-92.4	174.7	155.7	-173.5	-3.9	125.1
165	H	30.5	Very low	31.1	Very low	132 Å²	132	153.5 Å²	153.5	61%	0.611	76%	0.762	S	S	*	*			trans	94.4	128.8	133.8	-83.7	-62.9	0	0	0	124.4
166	H	29.9	Very low	31.1	Very low	137 Å²	137	155.9 Å²	155.9	63%	0.634	76%	0.763	S	S	*	*			trans	80.8	115.1	141.8	-81.4	-64.6	0	0	0	125.2
167	H	30.5	Very low	31.1	Very low	147 Å²	147	152.9 Å²	152.9	68%	0.681	76%	0.757	S	S	*	*				70.4	119.1	126.8	-80.9	-15.2	0	0	0	124.7
168	H	30.8	Very low	32.2	Very low	154 Å²	154	146.1 Å²	146.1	71%	0.713	74%	0.744	S	S	*	*				79.5	136.5	126	-89	-28.3	0	0	0	124.4
169	H	30.9	Very low	32.4	Very low	163 Å²	163	146.7 Å²	146.7	76%	0.755	74%	0.743	S	S	*	*			trans	84	165.8	144.8	-92.3	-76.4	0	0	0	121.9
170	H	32.1	Very low	32.5	Very low	148 Å²	148	148.3 Å²	148.3	69%	0.685	74%	0.742	S	S	*	*			trans	-91.4	153	-147	-111.7	-87.5	0	0	0	114.8
171	H	31.8	Very low	31.3	Very low	160 Å²	160	148 Å²	148	74%	0.741	74%	0.737	S	S	*	*			trans	23.8	128.1	144.5	-74.1	-2.1	0	0	0	120.7
172	Q	29.3	Very low	31.5	Very low	201 Å²	201	148.2 Å²	148.2	94%	0.939	73%	0.732	S	S	*	*				-148.1	175.6	117.5	-116.5	173.9	12	0	0	111.7
173	Q	30.5	Very low	32.7	Very low	171 Å²	171	144.7 Å²	144.7	80%	0.799	73%	0.727	S	S	*	*			trans	-103.1	150.4	-169.4	-59.3	167.6	-14.6	0	0	111.8
174	Q	30	Very low	33.4	Very low	158 Å²	158	145.1 Å²	145.1	74%	0.738	73%	0.73	S	S	*	*				162.1	129.6	113.5	-86.6	179.5	8.8	0	0	115.1
175	Q	29.6	Very low	33.5	Very low	149 Å²	149	139.6 Å²	139.6	70%	0.696	73%	0.73	S	S	*	*			trans	59.2	132.2	133.4	-68	-174.9	-6	0	0	125.1
176	H	27.7	Very low	33.4	Very low	137 Å²	137	138 Å²	138	63%	0.634	74%	0.74	S	S	*	*			trans	57.5	112.4	136.8	-63	-46.8	0	0	0	120
177	H	27.2	Very low	33.4	Very low	168 Å²	168	136.1 Å²	136.1	78%	0.778	75%	0.748	S	S	*	*				109	169.9	72.9	-99.8	-28.3	0	0	0	111.6
178	P	49.1	Very low	34.4	Very low	99 Å²	99	135.1 Å²	135.1	64%	0.643	75%	0.754	S	S	*	*			cis	-138	-176.7	-21.2	37.8	-19.5	0	0	0	115.3
179	S	29.2	Very low	34.2	Very low	102 Å²	102	133.5 Å²	133.5	71%	0.713	76%	0.755	S	S	*	*			trans	69.4	155.9	148.8	-63.8	0	0	0	0	120.7
180	L	29.9	Very low	34	Very low	150 Å²	150	136.7 Å²	136.7	79%	0.785	76%	0.762	S	S	*	*			cis	-163.2	154.3	-18.4	-100.1	165.1	0	0	0	105.7
181	V	26.5	Very low	34.7	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	76%	0.763	S	S	*	*				-177.6	135	73	166	0	0	0	0	110.4
182	S	30.6	Very low	34.3	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	77%	0.766	S	S	*	*			trans	18.9	169.1	142.6	-49.9	0	0	0	0	125
183	P	56.5	Low	34.2	Very low	118 Å²	118	130.6 Å²	130.6	77%	0.766	76%	0.756	S	S	*	*			cis	-139.4	-150.1	-43.5	43.9	-24.7	0	0	0	111.1
184	P	61.8	Low	34.1	Very low	115 Å²	115	127 Å²	127	75%	0.747	75%	0.75	S	S	*	*			cis	-134.1	179.4	-15.8	42.1	-24.7	0	0	0	117.6
185	A	29.5	Very low	34.2	Very low	100 Å²	100	130.1 Å²	130.1	83%	0.826	76%	0.757	S	S	*	*			trans	79.5	150.2	154.7	0	0	0	0	0	121.1
186	A	29.2	Very low	34.7	Very low	99 Å²	99	128.6 Å²	128.6	82%	0.818	76%	0.76	S	S	*	*			cis	-169.6	141.4	-30.5	0	0	0	0	0	110.9
187	A	29.5	Very low	35	Very low	97 Å²	97	127.6 Å²	127.6	80%	0.802	77%	0.768	S	S	*	*			trans	-162	150.3	172.4	0	0	0	0	0	113.7
188	P	50.1	Low	35.4	Very low	126 Å²	126	124.2 Å²	124.2	82%	0.818	77%	0.769	S	S	*	*			trans	-120.5	-179.2	167.1	40.4	-29.8	0	0	0	113.1
189	V	28.6	Very low	34.9	Very low	120 Å²	120	126.1 Å²	126.1	73%	0.727	78%	0.782	S	S	*	*				179.8	141.7	-55.4	140.2	0	0	0	0	107.3
190	Y	25.6	Very low	34.7	Very low	230 Å²	230	125.5 Å²	125.5	90%	0.902	78%	0.783	S	S	*	*			trans	-139.2	149.7	156.3	-104.8	-91.9	0	0	0	109.3
191	P	46.3	Very low	34.6	Very low	108 Å²	108	123.6 Å²	123.6	70%	0.701	78%	0.782	S	S	*	*			trans	-105.6	162.4	-161	39.2	-33	0	0	0	115.1
192	D	24.7	Very low	34.6	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	78%	0.781	S	S	*	*			trans	-131	153.1	165.6	-169.9	5.5	0	0	0	108.2
193	V	27.3	Very low	34.4	Very low	123 Å²	123	126 Å²	126	75%	0.745	79%	0.785	S	S	*	*			trans	-141.6	120.3	-173.2	-177.3	0	0	0	0	111.8
194	S	27.8	Very low	32.9	Very low	96 Å²	96	131 Å²	131	67%	0.671	79%	0.791	S	S	*	*			trans	-120.2	153.6	179.4	-34.2	0	0	0	0	111.8
195	Y	30.9	Very low	31.1	Very low	223 Å²	223	129.3 Å²	129.3	88%	0.875	79%	0.787	S	S	*	*			trans	-157.2	170.2	166.8	-103.1	-46.5	0	0	0	111.9
196	P	42	Very low	32.1	Very low	118 Å²	118	129.3 Å²	129.3	77%	0.766	78%	0.778	S	S	*	*				-123.4	-163.9	-117	45.7	-33.1	0	0	0	116.4
197	S	32.3	Very low	32	Very low	116 Å²	116	132.1 Å²	132.1	81%	0.811	77%	0.774	S	S	*	*			trans	-100.4	145.6	-160.3	-41.7	0	0	0	0	117.4
198	A	35.5	Very low	32	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	77%	0.771	S	S	*	*			trans	53.2	139.6	145.1	0	0	0	0	0	121.3
199	P	38.7	Very low	30.9	Very low	140 Å²	140	132 Å²	132	91%	0.909	77%	0.765	S	S	*	*				-142.4	-158.8	92.9	39.9	-24	0	0	0	114.6
200	A	26.3	Very low	31.2	Very low	88 Å²	88	131.1 Å²	131.1	73%	0.727	76%	0.764	S	S	*	*			trans	-109.2	167.8	-149.4	0	0	0	0	0	118.9
201	S	27.7	Very low	31.5	Very low	110 Å²	110	127 Å²	127	77%	0.769	76%	0.758	S	S	*	*			trans	85.9	124.2	142.6	66.8	0	0	0	0	123.6
202	S	26.8	Very low	30.9	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	76%	0.758	S	S	*	*			trans	82.4	117.5	136.2	-62.8	0	0	0	0	124.1
203	Q	26.4	Very low	31.2	Very low	170 Å²	170	125.3 Å²	125.3	79%	0.794	76%	0.756	S	S	*	*			trans	56.1	123.1	139.1	-60.9	-177.4	-6.8	0	0	121.4
204	Y	24.4	Very low	31.4	Very low	223 Å²	223	125.9 Å²	125.9	88%	0.875	76%	0.76	S	S	*	*				-169.8	160.4	104.8	-114.3	-86.8	0	0	0	112
205	A	24.2	Very low	32.5	Very low	80 Å²	80	127.4 Å²	127.4	66%	0.661	77%	0.767	S	S	*	*			trans	-120.7	-159.5	168.8	0	0	0	0	0	107.6
206	P	50.1	Low	32.6	Very low	99 Å²	99	119.8 Å²	119.8	64%	0.643	76%	0.757	S	S	*	*			cis	-141.2	-152.2	-0.6	30.8	-3.1	0	0	0	114.5
207	H	27.1	Very low	32.2	Very low	158 Å²	158	121 Å²	121	73%	0.731	76%	0.761	S	S	*	*			trans	87.1	105	167.2	-61.8	-60.2	0	0	0	118
208	T	28.8	Very low	32	Very low	122 Å²	122	124.4 Å²	124.4	75%	0.748	77%	0.767	S	S	*	*				76.4	132.4	71.5	60.3	0	0	0	0	114.4
209	S	27.8	Very low	31.7	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	76%	0.76	S	S	*	*				-170.3	157.2	50.8	44.7	0	0	0	0	115.9
210	S	34.6	Very low	31.2	Very low	101 Å²	101	123.3 Å²	123.3	71%	0.706	75%	0.752	S	S	*	*			trans	59.7	145.4	147.2	64	0	0	0	0	120.3
211	N	31.1	Very low	31.3	Very low	143 Å²	143	128 Å²	128	77%	0.765	76%	0.759	S	S	*	*			cis	-168.9	167.6	5.1	-121.7	34.9	0	0	0	107.8
212	T	34.8	Very low	31.2	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	77%	0.766	S	S	*	*			cis	-156.5	-168	-6.3	-9.7	0	0	0	0	105.9
213	S	31.5	Very low	31	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	77%	0.772	S	S	*	*			cis	-166.1	166.6	-2.3	33.7	0	0	0	0	108.7
214	T	31.5	Very low	31.1	Very low	135 Å²	135	127.2 Å²	127.2	83%	0.828	77%	0.772	S	S	*	*			trans	-144.4	-178.3	179.4	56.8	0	0	0	0	112.3
215	P	49.8	Very low	32.1	Very low	127 Å²	127	121.7 Å²	121.7	83%	0.825	76%	0.763	S	S	*	*				-137.9	-172.1	90.3	37.4	-21.8	0	0	0	112.7
216	G	32.4	Very low	32.4	Very low	64 Å²	64	124.9 Å²	124.9	66%	0.66	77%	0.768	S	S	*	*			cis	142.2	165.8	-8.4	0	0	0	0	0	113.9
217	V	35	Very low	31.8	Very low	142 Å²	142	127.3 Å²	127.3	86%	0.861	77%	0.771	S	S	*	*			trans	75.6	131.6	168.1	-174.6	0	0	0	0	116
218	M	26.8	Very low	31.8	Very low	188 Å²	188	127.9 Å²	127.9	93%	0.926	77%	0.774	S	S	*	*			cis	-140.9	-148.9	5.1	-144.1	167.8	177.6	0	0	114.7
219	S	29	Very low	31.8	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	78%	0.776	S	S	*	*			trans	-138	156.5	-149.4	-167.5	0	0	0	0	117.3
220	T	29.9	Very low	31.6	Very low	120 Å²	120	130 Å²	130	74%	0.736	77%	0.771	S	S	*	*			trans	28.1	139.8	148.5	54.3	0	0	0	0	121.5
221	Q	26.9	Very low	31.5	Very low	188 Å²	188	129.1 Å²	129.1	88%	0.879	77%	0.77	S	S	*	*				-170.5	-159	72.3	-140.8	173.2	13	0	0	114.3
222	M	25.6	Very low	31.5	Very low	188 Å²	188	130.2 Å²	130.2	93%	0.926	78%	0.775	S	S	*	*			trans	-97.5	160.8	-167.3	-63.8	-167.6	-67.5	0	0	116.5
223	G	24.2	Very low	31.9	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	78%	0.776	S	S	*	*			trans	179.6	126.1	158.9	0	0	0	0	0	115.7
224	A	27.5	Very low	33.2	Very low	97 Å²	97	131.1 Å²	131.1	80%	0.802	78%	0.781	S	S	*	*			trans	-112.6	172.3	163.2	0	0	0	0	0	108.3
225	P	45.4	Very low	33	Very low	107 Å²	107	129.1 Å²	129.1	70%	0.695	78%	0.778	S	S	*	*				-157.9	154.2	63.3	38.1	-15	0	0	0	119.8
226	L	30.1	Very low	32.1	Very low	147 Å²	147	127.8 Å²	127.8	77%	0.77	77%	0.771	S	S	*	*			trans	59.6	159.9	135.2	-57.4	175.8	0	0	0	120.9
227	H	38.6	Very low	31.9	Very low	151 Å²	151	131.4 Å²	131.4	70%	0.699	78%	0.781	S	S	*	*			cis	-157.3	-175.4	2.9	-133.8	-26.7	0	0	0	114.1
228	Q	25.9	Very low	31.5	Very low	169 Å²	169	129 Å²	129	79%	0.79	78%	0.776	S	S	*	*			trans	83.1	117.1	172.4	-50.3	-156.3	-2.8	0	0	116.7
229	F	28.7	Very low	31.5	Very low	181 Å²	181	126.7 Å²	126.7	79%	0.794	77%	0.772	S	S	*	*			cis	-143.2	-133.6	2	-150.2	-109	0	0	0	114.4
230	S	25	Very low	31.4	Very low	86 Å²	86	130.3 Å²	130.3	60%	0.601	78%	0.779	S	S	*	*			trans	-155.2	162	-147.5	-55.3	0	0	0	0	111.7
231	A	32.4	Very low	32	Very low	82 Å²	82	130.2 Å²	130.2	68%	0.678	78%	0.78	S	S	*	*			cis	178.2	177	-17.6	0	0	0	0	0	110.3
232	L	29.9	Very low	31.9	Very low	167 Å²	167	123.7 Å²	123.7	87%	0.874	76%	0.764	S	S	*	*			trans	72.3	161.5	164.4	-57.6	166.8	0	0	0	117.4
233	P	44.8	Very low	31.9	Very low	113 Å²	113	126.7 Å²	126.7	73%	0.734	77%	0.766	S	S	*	*			cis	-131.1	-172.7	-37.3	35.3	-15.9	0	0	0	113.1
234	P	58.3	Low	31.9	Very low	128 Å²	128	125.6 Å²	125.6	83%	0.831	76%	0.755	S	S	*	*			trans	-120.6	-161.9	-163.8	44.8	-34.5	0	0	0	117
235	A	27.4	Very low	31.7	Very low	93 Å²	93	128.4 Å²	128.4	77%	0.769	76%	0.763	S	S	*	*			trans	106.2	160.7	165.5	0	0	0	0	0	117.5
236	S	30.1	Very low	30.7	Very low	99 Å²	99	126.4 Å²	126.4	69%	0.692	76%	0.761	S	S	*	*			cis	-170.2	146.8	-46.8	56.6	0	0	0	0	112.6
237	T	28.4	Very low	30.5	Very low	140 Å²	140	128.3 Å²	128.3	86%	0.859	77%	0.766	S	S	*	*			trans	66.3	153.2	159.6	51.3	0	0	0	0	122.5
238	A	26.7	Very low	29.9	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	77%	0.773	S	S	*	*			trans	99.8	121.9	154.1	0	0	0	0	0	122
239	V	27.2	Very low	30	Very low	140 Å²	140	127.5 Å²	127.5	85%	0.848	77%	0.771	S	S	*	*				33.8	146.5	127	-166.3	0	0	0	0	122.7
240	Q	26.5	Very low	29.9	Very low	169 Å²	169	123.4 Å²	123.4	79%	0.79	77%	0.77	S	S	*	*			trans	-34.1	165.2	156.9	-74.1	-111.7	-7.8	0	0	116.6
241	P	43	Very low	29.9	Very low	117 Å²	117	123.8 Å²	123.8	76%	0.76	78%	0.779	S	S	*	*			cis	-142.7	-152.1	27.9	43.9	-22.9	0	0	0	115.1
242	G	23.9	Very low	29.7	Very low	52 Å²	52	125.8 Å²	125.8	54%	0.536	78%	0.783	S	S	.	*			trans	-107.8	-157.5	168.5	0	0	0	0	0	114.7
243	Y	25.5	Very low	29.6	Very low	250 Å²	250	123.7 Å²	123.7	98%	0.98	78%	0.776	S	S	*	*			trans	69.3	151.4	-162.2	-61.8	-89.7	0	0	0	113.5
244	G	24.3	Very low	28.7	Very low	58 Å²	58	126.1 Å²	126.1	60%	0.598	78%	0.783	S	S	*	*			cis	169	151.1	-6.1	0	0	0	0	0	110.2
245	T	23.8	Very low	27.2	Very low	157 Å²	157	123.9 Å²	123.9	96%	0.963	78%	0.784	S	S	*	*				152.2	170.1	111.6	48.4	0	0	0	0	110
246	G	24.2	Very low	27.1	Very low	65 Å²	65	129.7 Å²	129.7	67%	0.67	79%	0.791	S	S	*	*			trans	102	69.3	177.7	0	0	0	0	0	114.2
247	H	25.5	Very low	26.8	Very low	186 Å²	186	128.3 Å²	128.3	86%	0.861	79%	0.793	S	S	*	*				45.2	106.7	84.3	-87.4	68.5	0	0	0	115.2
248	Q	26.8	Very low	26.7	Very low	183 Å²	183	126.7 Å²	126.7	86%	0.855	79%	0.787	S	S	*	*				-167.1	157	108.9	-102.6	173.5	23.8	0	0	113.8
249	T	28.1	Very low	26.6	Very low	121 Å²	121	128.3 Å²	128.3	74%	0.742	79%	0.788	S	S	*	*			trans	-4.4	133.1	165.9	51.2	0	0	0	0	119.5
250	A	25.5	Very low	26.5	Very low	94 Å²	94	130.1 Å²	130.1	78%	0.777	79%	0.787	S	S	*	*			cis	78.1	151.1	48.3	0	0	0	0	0	115
251	A	25.7	Very low	26.6	Very low	95 Å²	95	126.8 Å²	126.8	79%	0.785	79%	0.788	S	S	*	*			trans	70.7	149.6	-173	0	0	0	0	0	114.7
252	T	27.4	Very low	25.8	Very low	124 Å²	124	125.5 Å²	125.5	76%	0.761	79%	0.788	S	S	*	*			cis	-155.7	130.4	-5.1	8.7	0	0	0	0	108.1
253	V	27.9	Very low	26	Very low	122 Å²	122	128.6 Å²	128.6	74%	0.739	80%	0.796	S	S	*	*				74.9	120	91.3	174.4	0	0	0	0	116.5
254	N	27.1	Very low	26	Very low	165 Å²	165	125.4 Å²	125.4	88%	0.882	79%	0.79	S	S	*	*			trans	34.8	135.9	150.3	-57.1	-12.4	0	0	0	122.8
255	G	25.5	Very low	26.2	Very low	81 Å²	81	129.6 Å²	129.6	84%	0.835	80%	0.799	S	S	*	*			trans	-163.6	120.1	154.8	0	0	0	0	0	112.9
256	K	26.9	Very low	26.3	Very low	214 Å²	214	128.6 Å²	128.6	93%	0.93	79%	0.788	S	S	*	*			trans	-116.7	132.3	169.6	-96.6	-169.8	175.8	-175.2	0	108.9
257	G	23	Very low	26.3	Very low	71 Å²	71	132.5 Å²	132.5	73%	0.732	79%	0.792	S	S	*	*			trans	70.4	174	169.6	0	0	0	0	0	114.6
258	S	25.2	Very low	26.3	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	79%	0.785	S	S	*	*			cis	-164.3	160	-10.8	-85	0	0	0	0	108.4
259	T	25.7	Very low	26.3	Very low	125 Å²	125	130.2 Å²	130.2	77%	0.767	78%	0.781	S	S	*	*			trans	63.3	159.9	160.9	40.5	0	0	0	0	115.8
260	E	25.9	Very low	26.3	Very low	179 Å²	179	130.3 Å²	130.3	84%	0.836	77%	0.773	S	S	*	*			cis	-153.9	-168	7.5	-140.8	161.5	-134.6	0	0	112.3
261	A	27.2	Very low	26.4	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	77%	0.771	S	S	*	*			trans	72.8	140.7	173	0	0	0	0	0	116.8
262	A	27.1	Very low	26.4	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	76%	0.763	S	S	*	*			cis	-168	163.9	-10.6	0	0	0	0	0	107.4
263	V	27.5	Very low	26.5	Very low	117 Å²	117	137.5 Å²	137.5	71%	0.709	76%	0.763	S	S	*	*			cis	-176.2	130.5	-8.9	137.5	0	0	0	0	107
264	Q	25.8	Very low	26.5	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	76%	0.755	S	S	*	*			trans	50.6	151.9	148.9	-60	175.4	-71.1	0	0	125.1
265	N	27.7	Very low	26.7	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	75%	0.747	S	S	*	*			trans	-85.5	156.5	173.3	-43.7	-44.8	0	0	0	112.4
266	N	26.8	Very low	26.7	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	75%	0.747	S	S	*	*				170.3	146.4	106.6	-100.2	-18	0	0	0	117.2
267	I	24.9	Very low	26.9	Very low	147 Å²	147	134 Å²	134	75%	0.754	74%	0.739	S	S	*	*			trans	68.4	135.6	138.5	-63.4	167.3	0	0	0	122
268	H	25.7	Very low	27.5	Very low	157 Å²	157	136.4 Å²	136.4	73%	0.727	74%	0.742	S	S	*	*			trans	-40.7	151.6	170.8	-76.1	44.5	0	0	0	119
269	Q	25.8	Very low	27.7	Very low	164 Å²	164	139.4 Å²	139.4	77%	0.766	74%	0.744	S	S	*	*				-173.5	135.9	101.4	-95	-176.3	7.7	0	0	110.2
270	H	27.8	Very low	27.8	Very low	123 Å²	123	139.2 Å²	139.2	57%	0.569	74%	0.738	S	S	*	*				53.4	134.7	87.4	-75.2	-86.3	0	0	0	113.8
271	Y	27.9	Very low	27.8	Very low	187 Å²	187	140.2 Å²	140.2	73%	0.733	74%	0.736	S	S	*	*			cis	-147.3	160.5	25.1	-84.8	-74.3	0	0	0	109.1
272	D	26.6	Very low	27.9	Very low	117 Å²	117	141 Å²	141	63%	0.626	73%	0.726	S	S	*	*			cis	-160.8	-166.7	-9.4	-148.8	-0.6	0	0	0	105.7
273	Q	27.8	Very low	27.8	Very low	160 Å²	160	141.4 Å²	141.4	75%	0.748	72%	0.723	S	S	*	*			cis	-156.6	-163.8	-1.8	-146.4	168.8	87.2	0	0	104.7
274	S	28.8	Very low	27.8	Very low	83 Å²	83	146.5 Å²	146.5	58%	0.58	73%	0.731	S	S	*	*			cis	-156.8	169.6	1.5	54.9	0	0	0	0	110.2
275	H	30.3	Very low	28	Very low	153 Å²	153	143.5 Å²	143.5	71%	0.708	73%	0.731	S	S	*	*			trans	65.6	98.5	169.8	-69.2	-76.2	0	0	0	121
276	Q	26.3	Very low	27.8	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	72%	0.724	S	S	*	*				56.6	142.4	118.6	-69.5	171.8	-51.9	0	0	122.7
277	A	30.3	Very low	27.9	Very low	93 Å²	93	139.3 Å²	139.3	77%	0.769	73%	0.727	S	S	*	*			trans	-113.1	144.3	165.9	0	0	0	0	0	112.3
278	P	37.2	Very low	27.9	Very low	120 Å²	120	138.1 Å²	138.1	78%	0.779	73%	0.727	S	S	*	*			trans	-100.9	149.3	153.1	35.6	-27.8	0	0	0	110
279	H	27.7	Very low	28	Very low	169 Å²	169	138.8 Å²	138.8	78%	0.782	73%	0.73	S	S	*	*			cis	75.9	107.7	13.7	-96.7	-54.2	0	0	0	119.3
280	N	27.9	Very low	28.1	Very low	120 Å²	120	135.6 Å²	135.6	64%	0.642	73%	0.726	S	S	*	*			trans	66.9	142.7	154.7	-63.5	21.4	0	0	0	117.1
281	Y	26.5	Very low	28.2	Very low	201 Å²	201	135.1 Å²	135.1	79%	0.788	74%	0.736	S	S	*	*				-150.2	137.5	60.8	-112.2	-116.1	0	0	0	114.7
282	N	28.7	Very low	28.1	Very low	115 Å²	115	130.3 Å²	130.3	62%	0.615	74%	0.744	S	S	*	*				49.7	150.9	125.3	-66.5	20.3	0	0	0	122.3
283	S	25.1	Very low	28.1	Very low	98 Å²	98	128.8 Å²	128.8	69%	0.685	76%	0.756	S	S	*	*			cis	-164.2	161.8	-8.3	-105.7	0	0	0	0	111.9
284	Y	28.8	Very low	28.2	Very low	225 Å²	225	125.1 Å²	125.1	88%	0.882	75%	0.753	S	S	*	*			trans	-104.8	144.7	159.4	-134.4	-85.5	0	0	0	109.6
285	S	28.5	Very low	28.3	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	77%	0.769	S	S	*	*			trans	-162.1	128.8	165.6	-78.4	0	0	0	0	110.6
286	G	24.4	Very low	28.2	Very low	62 Å²	62	125.3 Å²	125.3	64%	0.639	77%	0.769	S	S	*	*			cis	-174.2	157.7	-6.6	0	0	0	0	0	116.4
287	V	28.6	Very low	28.3	Very low	131 Å²	131	125.1 Å²	125.1	79%	0.794	77%	0.774	S	S	*	*			trans	44.3	113.3	134.2	-171.8	0	0	0	0	118.6
288	T	25.1	Very low	28.2	Very low	122 Å²	122	131.4 Å²	131.4	75%	0.748	78%	0.777	S	S	*	*				-159.7	134	112.6	5.3	0	0	0	0	113.9
289	Q	28.2	Very low	29.3	Very low	172 Å²	172	130.2 Å²	130.2	80%	0.804	77%	0.77	S	S	*	*			trans	9.9	161	145.6	-69.8	166.6	-8.1	0	0	122.2
290	S	28.1	Very low	30.4	Very low	96 Å²	96	127.3 Å²	127.3	67%	0.671	77%	0.766	S	S	*	*			cis	178.2	160.9	-36.3	50.3	0	0	0	0	110.2
291	S	29	Very low	30.5	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	78%	0.776	S	S	*	*			trans	60.1	116.6	155	61.8	0	0	0	0	122.1
292	G	26.2	Very low	30.5	Very low	86 Å²	86	121.4 Å²	121.4	89%	0.887	78%	0.776	S	S	*	*				91.8	148.9	120	0	0	0	0	0	119.9
293	G	26.1	Very low	30.6	Very low	85 Å²	85	122.6 Å²	122.6	88%	0.876	79%	0.787	S	S	*	*			trans	140	139.3	168.7	0	0	0	0	0	114
294	A	31	Very low	31.7	Very low	84 Å²	84	123 Å²	123	69%	0.694	79%	0.788	S	S	*	*			trans	-128.8	176.2	177.6	0	0	0	0	0	111.2
295	D	29.4	Very low	31.7	Very low	172 Å²	172	117.3 Å²	117.3	92%	0.92	78%	0.781	S	S	*	*			trans	65.9	163.2	166.4	-54.1	-40.9	0	0	0	118
296	G	28.5	Very low	31.7	Very low	68 Å²	68	115.9 Å²	115.9	70%	0.701	78%	0.776	S	S	*	*			trans	142.1	39.7	164.9	0	0	0	0	0	121.5
297	D	28.6	Very low	31.8	Very low	176 Å²	176	117.9 Å²	117.9	94%	0.941	78%	0.78	S	S	*	*			trans	62.3	-178.2	150.1	-88.2	-54.9	0	0	0	122
298	R	29.1	Very low	31.7	Very low	224 Å²	224	117.5 Å²	117.5	85%	0.845	78%	0.778	S	S	*	*			trans	-143.1	-151.1	-159.7	-163.1	-158.3	170.5	-169.9	-1.2	110.8
299	P	60.2	Low	31.8	Very low	95 Å²	95	119.5 Å²	119.5	62%	0.617	78%	0.778	S	S	*	*				-83	-154	-122.4	41.7	-23.5	0	0	0	113.3
300	P	50.4	Low	31.7	Very low	109 Å²	109	116.2 Å²	116.2	71%	0.708	77%	0.774	S	S	*	*			cis	-144.5	-175.7	2.5	39.9	-17.9	0	0	0	119.1
301	S	29.8	Very low	32	Very low	121 Å²	121	117 Å²	117	85%	0.846	78%	0.78	S	S	*	*			trans	109.5	136.6	150.9	-44.7	0	0	0	0	115.3
302	G	27.9	Very low	32.6	Very low	76 Å²	76	117.8 Å²	117.8	78%	0.784	78%	0.782	S	S	*	*			cis	-168.2	160.7	-4.5	0	0	0	0	0	111.9
303	T	30	Very low	32.7	Very low	139 Å²	139	118.6 Å²	118.6	85%	0.853	78%	0.775	S	S	*	*			trans	-98.5	-170.1	-178.2	58.8	0	0	0	0	110.7
304	P	47.3	Very low	33.1	Very low	108 Å²	108	122.1 Å²	122.1	70%	0.701	77%	0.768	S	S	*	*			cis	-140.4	-161.9	-1.7	40.2	-18.2	0	0	0	115.8
305	S	28.7	Very low	32.9	Very low	105 Å²	105	125 Å²	125	73%	0.734	77%	0.767	S	S	*	*			trans	80.8	132.1	157.7	-59.4	0	0	0	0	118.5
306	A	28.6	Very low	32.9	Very low	90 Å²	90	124.1 Å²	124.1	74%	0.744	76%	0.757	S	S	*	*			cis	82.8	138.9	42.6	0	0	0	0	0	113.2
307	S	27.5	Very low	32.7	Very low	104 Å²	104	126.6 Å²	126.6	73%	0.727	76%	0.763	S	S	*	*			cis	-170.3	-178.2	-1.7	42.3	0	0	0	0	112.2
308	V	26.7	Very low	32.7	Very low	122 Å²	122	125.3 Å²	125.3	74%	0.739	76%	0.756	S	S	*	*			trans	64.9	139.2	158.2	-81.2	0	0	0	0	124.7
309	H	25.7	Very low	32.7	Very low	164 Å²	164	123.7 Å²	123.7	76%	0.759	75%	0.75	S	S	*	*			trans	63.8	121.1	142.8	-81.2	-59.6	0	0	0	125.4
310	S	27.5	Very low	31.1	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	76%	0.756	S	S	*	*				61.9	138.3	123.8	-58	0	0	0	0	123.1
311	S	34.2	Very low	30	Very low	114 Å²	114	126.1 Å²	126.1	80%	0.797	75%	0.753	S	S	*	*			trans	-58.4	161.6	165.8	-36	0	0	0	0	113.5
312	P	40.4	Very low	29.9	Very low	128 Å²	128	130.8 Å²	130.8	83%	0.831	75%	0.753	S	S	*	*				-145.6	167.4	96.3	39.6	-25.7	0	0	0	115.8
313	S	29.1	Very low	29.9	Very low	104 Å²	104	133 Å²	133	73%	0.727	75%	0.751	S	S	*	*			trans	-95.4	159.8	161.7	47.5	0	0	0	0	110.5
314	H	33.9	Very low	29.8	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.736	74%	0.744	S	S	*	*			trans	-174.3	159.6	147.5	-120.5	-98.6	0	0	0	116.1
315	H	28.3	Very low	28.9	Very low	145 Å²	145	132.3 Å²	132.3	67%	0.671	75%	0.748	S	S	*	*			trans	61.4	138.1	169.2	-60.3	-67	0	0	0	120.3
316	Q	27.9	Very low	29	Very low	153 Å²	153	132.7 Å²	132.7	72%	0.715	75%	0.751	S	S	*	*			cis	101.5	125.3	11.6	-169.9	-171.8	37.6	0	0	115.8
317	S	24.7	Very low	28.8	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	76%	0.756	S	S	*	*			trans	-162.7	163.4	164.9	-81.2	0	0	0	0	111.2
318	L	29.7	Very low	28.8	Very low	150 Å²	150	131.8 Å²	131.8	79%	0.785	76%	0.758	S	S	*	*			trans	-115.3	-173.4	-175.6	-53.8	96.2	0	0	0	111
319	R	28	Very low	28.9	Very low	190 Å²	190	131 Å²	131	72%	0.717	76%	0.758	S	S	*	*			cis	-172	159.7	19.3	-147.4	170.8	-175.8	-161.5	2.4	112.1
320	Y	27.6	Very low	29	Very low	193 Å²	193	128.6 Å²	128.6	76%	0.757	76%	0.76	S	S	*	*			trans	63.5	152.3	167.8	-68.4	-76.4	0	0	0	118.7
321	G	26.5	Very low	29.3	Very low	61 Å²	61	128.6 Å²	128.6	63%	0.629	77%	0.765	S	S	*	*			cis	164.4	152.8	-12.3	0	0	0	0	0	115.1
322	Y	27.5	Very low	29.2	Very low	219 Å²	219	128.6 Å²	128.6	86%	0.859	77%	0.765	S	S	*	*			trans	69.7	154.3	171.9	-76.9	-107.6	0	0	0	119.2
323	V	28.3	Very low	28.9	Very low	123 Å²	123	126.5 Å²	126.5	75%	0.745	76%	0.759	S	S	*	*			cis	-168.9	145.7	-40.3	114.2	0	0	0	0	113
324	A	28.1	Very low	28.9	Very low	84 Å²	84	127.3 Å²	127.3	69%	0.694	76%	0.76	S	S	*	*			trans	65.8	138.9	156.5	0	0	0	0	0	125.9
325	N	28.9	Very low	28.8	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	76%	0.763	S	S	*	*			trans	67.5	120.8	142.3	-78.9	15.4	0	0	0	125.4
326	S	29.3	Very low	28.8	Very low	113 Å²	113	124.3 Å²	124.3	79%	0.79	77%	0.768	S	S	*	*				54.3	133	121.3	-48.1	0	0	0	0	122.1
327	G	26.1	Very low	28.8	Very low	82 Å²	82	120.7 Å²	120.7	85%	0.845	77%	0.771	S	S	*	*			trans	153.6	111	152.3	0	0	0	0	0	116.6
328	A	27.4	Very low	29	Very low	93 Å²	93	120 Å²	120	77%	0.769	77%	0.773	S	S	*	*			trans	-74.1	167.8	-178.8	0	0	0	0	0	116.9
329	S	27.3	Very low	29	Very low	107 Å²	107	117.7 Å²	117.7	75%	0.748	78%	0.776	S	S	*	*			trans	99.8	141.8	137.9	-61.8	0	0	0	0	122.7
330	S	29.2	Very low	29.1	Very low	113 Å²	113	113.3 Å²	113.3	79%	0.79	78%	0.78	S	S	*	*			trans	66.9	129.3	158.6	31.3	0	0	0	0	118.5
331	A	32.4	Very low	29.4	Very low	102 Å²	102	108.5 Å²	108.5	84%	0.843	78%	0.78	S	S	*	*			cis	74.8	163.6	35.1	0	0	0	0	0	113.6
332	S	32.9	Very low	30	Very low	114 Å²	114	111.5 Å²	111.5	80%	0.797	79%	0.788	S	S	*	*			cis	-148.5	176.4	2.5	70.9	0	0	0	0	109.7
333	A	33.7	Very low	30.1	Very low	85 Å²	85	107 Å²	107	70%	0.702	79%	0.789	S	S	*	*			cis	-114.6	-102.2	-4.3	0	0	0	0	0	111.5
334	T	30	Very low	30	Very low	121 Å²	121	106 Å²	106	74%	0.742	79%	0.787	S	S	*	*			cis	-156.4	146.8	-1.1	42.8	0	0	0	0	106.1
335	T	30.2	Very low	29.8	Very low	129 Å²	129	106.6 Å²	106.6	79%	0.791	79%	0.787	S	S	*	*			cis	-170.3	160.6	-4.8	20.3	0	0	0	0	104.9
336	S	30.3	Very low	29.6	Very low	112 Å²	112	103.8 Å²	103.8	78%	0.783	78%	0.778	S	S	*	*			cis	-164.6	141.7	0.5	41.5	0	0	0	0	105.2
337	G	27.6	Very low	29.6	Very low	76 Å²	76	103 Å²	103	78%	0.784	77%	0.769	S	S	*	*			cis	120.3	162.6	32	0	0	0	0	0	108.4
338	A	28	Very low	30	Very low	106 Å²	106	105.2 Å²	105.2	88%	0.876	76%	0.762	S	S	*	*			cis	-174.4	145.7	-17.2	0	0	0	0	0	106.4
339	A	30.1	Very low	30.5	Very low	101 Å²	101	106.7 Å²	106.7	84%	0.835	76%	0.756	S	S	*	*			cis	-149.5	-150.3	-6.9	0	0	0	0	0	106.5
340	A	29.7	Very low	31.1	Very low	97 Å²	97	108 Å²	108	80%	0.802	76%	0.755	S	S	*	*			cis	-159.9	-160.2	6.7	0	0	0	0	0	109.9
341	A	34	Very low	31.8	Very low	92 Å²	92	108.7 Å²	108.7	76%	0.76	75%	0.75	S	S	*	*			trans	-123.1	157.2	159.8	0	0	0	0	0	108.9
342	P	38.6	Very low	32.2	Very low	124 Å²	124	110.7 Å²	110.7	81%	0.805	74%	0.742	S	S	*	*				-147.3	-175.7	97.7	41.6	-26.5	0	0	0	114.2
343	S	29.7	Very low	32.6	Very low	124 Å²	124	113.8 Å²	113.8	87%	0.867	74%	0.744	S	S	*	*			trans	-72.8	134.3	172.6	-24.4	0	0	0	0	112.5
344	S	25.7	Very low	32.9	Very low	103 Å²	103	118.7 Å²	118.7	72%	0.72	75%	0.752	S	S	*	*			trans	-161.5	159.8	155.7	61.5	0	0	0	0	111.2
345	S	24	Very low	33.4	Very low	97 Å²	97	119.6 Å²	119.6	68%	0.678	75%	0.753	S	S	*	*			trans	-6.7	145.1	144.6	59.9	0	0	0	0	116.8
346	S	25.1	Very low	33.8	Very low	88 Å²	88	121.5 Å²	121.5	62%	0.615	75%	0.752	S	S	*	*			cis	163.9	173	3.2	51.4	0	0	0	0	105.2
347	T	30.3	Very low	34.2	Very low	97 Å²	97	123.8 Å²	123.8	60%	0.595	76%	0.756	S	S	*	*			trans	55.6	112.9	139.5	59	0	0	0	0	120.5
348	D	33.9	Very low	34.7	Very low	129 Å²	129	129 Å²	129	69%	0.69	76%	0.759	S	S	*	*				82.7	142.3	115	-55.9	0.2	0	0	0	118.1
349	D	37.8	Very low	35.2	Very low	123 Å²	123	131.7 Å²	131.7	66%	0.658	75%	0.754	S	S	*	*			cis	-162.8	-160.7	-3.7	-119.5	-24.9	0	0	0	111.9
350	D	39.8	Very low	35.4	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	75%	0.746	S	S	*	*			trans	72.9	123.5	150.5	-62.5	-17.1	0	0	0	116.2
351	D	43.7	Very low	35.4	Very low	127 Å²	127	129.9 Å²	129.9	68%	0.679	75%	0.747	S	S	*	*			cis	-154.9	161.6	12.3	-69.5	-45.5	0	0	0	108.4
352	E	42.1	Very low	35.2	Very low	145 Å²	145	129.3 Å²	129.3	68%	0.678	75%	0.75	S	S	*	*			cis	-160.3	131.1	-14.5	-104.9	173.1	168.8	0	0	104.4
353	E	40.6	Very low	34.7	Very low	178 Å²	178	131.2 Å²	131.2	83%	0.832	75%	0.753	S	S	*	*				68.6	150.3	106.8	-58.4	-175.3	160.3	0	0	115.5
354	E	40.3	Very low	34.6	Very low	188 Å²	188	131.3 Å²	131.3	88%	0.879	75%	0.749	S	S	*	*			cis	-130.6	175	2.3	-122.6	173.4	173.4	0	0	106.6
355	D	39.4	Very low	34.8	Very low	141 Å²	141	132.7 Å²	132.7	75%	0.754	76%	0.758	S	S	*	*			cis	-145.3	-172.8	0.2	55.7	-151.5	0	0	0	107.7
356	E	39.4	Very low	35	Very low	169 Å²	169	132.9 Å²	132.9	79%	0.79	76%	0.76	S	S	*	*			cis	-144.6	132.7	-44.6	-117.9	-177.6	171.2	0	0	105.6
357	D	38.5	Very low	35.2	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	76%	0.764	S	S	*	*			trans	43.6	162.9	156.1	-54.5	-18.2	0	0	0	121.9
358	E	39.2	Very low	35.3	Very low	185 Å²	185	133.9 Å²	133.9	86%	0.864	77%	0.771	S	S	*	*			cis	-153.4	155.3	1	-154.5	-154.1	-174.6	0	0	105.5
359	E	37.5	Very low	35	Very low	164 Å²	164	133.7 Å²	133.7	77%	0.766	77%	0.774	S	S	*	*			cis	-129.7	-117.4	-3.3	-164.9	-97	153.1	0	0	108.9
360	A	33.9	Very low	34.4	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	79%	0.785	S	S	*	*			trans	-156.4	-159.6	-168.6	0	0	0	0	0	115
361	G	30.8	Very low	33.9	Very low	80 Å²	80	130.6 Å²	130.6	83%	0.825	79%	0.786	S	S	*	*			trans	91.9	128.9	166.2	0	0	0	0	0	116.9
362	G	29.7	Very low	33.3	Very low	79 Å²	79	129.3 Å²	129.3	81%	0.814	79%	0.793	S	S	*	*			trans	-153.9	168.7	173.1	0	0	0	0	0	112.3
363	D	27.7	Very low	32.6	Very low	164 Å²	164	127.7 Å²	127.7	88%	0.877	80%	0.798	S	S	*	*			trans	-157.5	163	169.9	-143.7	-21	0	0	0	113
364	T	28.1	Very low	32.4	Very low	126 Å²	126	125.1 Å²	125.1	77%	0.773	80%	0.797	S	S	*	*			trans	-104.6	133.6	-179.5	60.9	0	0	0	0	112.3
365	S	28.7	Very low	31.8	Very low	132 Å²	132	122 Å²	122	92%	0.923	79%	0.79	S	S	*	*			trans	-177.7	175.8	148.3	46.7	0	0	0	0	112.4
366	S	29.2	Very low	31.4	Very low	101 Å²	101	121.2 Å²	121.2	71%	0.706	79%	0.793	S	S	*	*			trans	-115.3	159.1	-168.5	67.5	0	0	0	0	113.8
367	S	28.4	Very low	30.9	Very low	101 Å²	101	120.7 Å²	120.7	71%	0.706	80%	0.796	S	S	*	*			trans	85.2	113.8	149.4	-53.3	0	0	0	0	120.1
368	S	32.2	Very low	30.5	Very low	105 Å²	105	120.5 Å²	120.5	73%	0.734	80%	0.795	S	S	*	*			trans	81.8	162.2	132.5	80.3	0	0	0	0	121.1
369	T	28.2	Very low	29.9	Very low	125 Å²	125	121.4 Å²	121.4	77%	0.767	79%	0.792	S	S	*	*			trans	68	112	174.5	66.8	0	0	0	0	117.6
370	G	25.8	Very low	29.4	Very low	86 Å²	86	120.3 Å²	120.3	89%	0.887	79%	0.791	S	S	*	*			trans	-112	78.6	166.1	0	0	0	0	0	110.1
371	S	29.4	Very low	29.2	Very low	107 Å²	107	120.6 Å²	120.6	75%	0.748	79%	0.788	S	S	*	*			trans	-84.8	116	-177.1	-60	0	0	0	0	110.9
372	A	29.2	Very low	29.2	Very low	100 Å²	100	125.4 Å²	125.4	83%	0.826	79%	0.794	S	S	*	*			trans	-76.7	140.1	174.3	0	0	0	0	0	111.3
373	S	28.3	Very low	29.1	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	80%	0.799	S	S	*	*			trans	-149.6	155.3	168.7	-80.9	0	0	0	0	109.7
374	P	36.2	Very low	29.2	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	80%	0.795	S	S	*	*			trans	-88.5	148	-147.3	32.7	-36.4	0	0	0	114.9
375	V	27.6	Very low	29.2	Very low	123 Å²	123	124.4 Å²	124.4	75%	0.745	80%	0.795	S	S	*	*			trans	-127.3	133.3	166.1	-173.9	0	0	0	0	107.5	N377	V375-N377 PolarHBondContact O-N 2.68Å
376	P	30.4	Very low	29.1	Very low	124 Å²	124	124 Å²	124	81%	0.805	79%	0.792	S	S	*	*			trans	-78.6	106.1	-173.8	30	-34.3	0	0	0	112	N378	P376-N378 PolarHBondContact O-N 2.7Å
377	N	29.1	Very low	29	Very low	158 Å²	158	129.8 Å²	129.8	85%	0.845	80%	0.8	S	S	*	*			trans	-79.7	105.5	171	-81.7	-2.4	0	0	0	110.8	V375	V375-N377 PolarHBondContact O-N 2.68Å
378	N	29.9	Very low	29.5	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	80%	0.804	S	S	*	*			trans	-95.7	110	159.6	-171.5	37.3	0	0	0	108.1	P376	P376-N378 PolarHBondContact O-N 2.7Å
379	Y	27.4	Very low	29.3	Very low	204 Å²	204	133.1 Å²	133.1	80%	0.8	81%	0.808	S	S	*	*			trans	-145.6	118.3	169.9	-151.3	-82	0	0	0	110.7
380	D	27.6	Very low	29.4	Very low	140 Å²	140	132.7 Å²	132.7	75%	0.749	81%	0.81	S	S	*	*			trans	-128	167.7	174	-161.9	-6.7	0	0	0	107.2
381	S	30	Very low	29.5	Very low	87 Å²	87	137.3 Å²	137.3	61%	0.608	81%	0.811	S	S	*	*			trans	75.8	102	-173.9	-40.3	0	0	0	0	116
382	L	29.8	Very low	29.8	Very low	181 Å²	181	136.7 Å²	136.7	95%	0.948	80%	0.804	S	S	*	*			trans	-150.2	54.4	137.3	-102.5	-170.6	0	0	0	110.3
383	E	28.8	Very low	30	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	81%	0.806	S	S	*	*			trans	-143.2	141.8	166.8	-172.8	164.7	-139.2	0	0	108.9
384	G	28.1	Very low	30.1	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	80%	0.804	S	S	*	*			trans	111.5	108.4	-179.4	0	0	0	0	0	114.4
385	G	28.6	Very low	29.7	Very low	74 Å²	74	140 Å²	140	76%	0.763	81%	0.808	S	S	*	*			trans	-92.4	161.2	160.2	0	0	0	0	0	110.9
386	S	26.6	Very low	29.7	Very low	124 Å²	124	141.4 Å²	141.4	87%	0.867	81%	0.812	S	S	*	*			trans	-154.8	155.5	171.2	-82.5	0	0	0	0	112.3
387	Y	27.2	Very low	29.6	Very low	222 Å²	222	144.3 Å²	144.3	87%	0.871	82%	0.817	S	S	*	*			trans	-69.1	148	180	-76.3	-113.1	0	0	0	112.3
388	P	39.5	Very low	29.7	Very low	124 Å²	124	141.8 Å²	141.8	81%	0.805	81%	0.807	S	S	*	*			trans	-89.3	130.5	146.2	33.8	-26.3	0	0	0	109.9
389	D	27	Very low	29.7	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	80%	0.802	S	S	*	*			trans	-123.9	124.8	168	-160.1	-2.9	0	0	0	108.6
390	S	30.9	Very low	29.7	Very low	117 Å²	117	139.8 Å²	139.8	82%	0.818	80%	0.804	S	S	*	*			trans	-163.8	130.2	-176.4	-78.5	0	0	0	0	110.5
391	M	28.8	Very low	29.7	Very low	182 Å²	182	137.3 Å²	137.3	90%	0.897	80%	0.804	S	S	*	*			trans	-69.4	152.5	-162.6	-79.4	-76.8	-157.7	0	0	115.6
392	P	34.7	Very low	30.9	Very low	94 Å²	94	139 Å²	139	61%	0.61	81%	0.812	S	S	*	*			trans	-91.9	158.4	-178.4	37.2	-36.1	0	0	0	114
393	P	32.7	Very low	32.1	Very low	132 Å²	132	134.8 Å²	134.8	86%	0.857	80%	0.796	S	S	*	*			trans	-89.6	106.1	159	33.4	-28	0	0	0	110.8
394	S	30.6	Very low	32	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	80%	0.796	S	S	*	*			trans	-81.8	130.3	172.5	-60.9	0	0	0	0	111.5
395	N	28.6	Very low	32.1	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	79%	0.788	S	S	*	*			trans	-156.3	141.4	152.2	-121.7	-22.4	0	0	0	113.1
396	N	28	Very low	32	Very low	153 Å²	153	136 Å²	136	82%	0.818	79%	0.785	S	S	*	*			trans	-89.7	145.4	175.2	-71.3	-64.3	0	0	0	110.3
397	M	28	Very low	32.3	Very low	185 Å²	185	140.9 Å²	140.9	91%	0.911	79%	0.786	S	S	*	*				-165.1	166.1	112.7	-114.6	-163.1	159.4	0	0	116.1
398	T	30.9	Very low	32.3	Very low	104 Å²	104	133.2 Å²	133.2	64%	0.638	78%	0.775	S	S	*	*			trans	-79.6	166.1	-171.5	47.6	0	0	0	0	116.2
399	N	29.3	Very low	31.9	Very low	136 Å²	136	137.3 Å²	137.3	73%	0.727	78%	0.776	S	S	*	*			trans	97.4	132.8	140.3	-85.8	-30	0	0	0	121.9
400	Q	28.1	Very low	32.2	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	77%	0.774	S	S	*	*			trans	73.1	160.4	145.5	-66.7	173.7	19	0	0	120.6
401	A	27.8	Very low	32.1	Very low	89 Å²	89	135.2 Å²	135.2	74%	0.736	76%	0.763	S	S	*	*			trans	-156	176.4	-179.2	0	0	0	0	0	108.3
402	P	55.4	Low	32.3	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	76%	0.756	S	S	*	*			cis	-109.1	-104.8	-15.5	20.7	3.8	0	0	0	109.3
403	P	54.3	Low	32.1	Very low	93 Å²	93	137.2 Å²	137.2	60%	0.604	76%	0.764	S	S	*	*			cis	-129.2	176.6	-47.2	31.7	-11.1	0	0	0	116.3
404	F	27.7	Very low	32.1	Very low	213 Å²	213	136 Å²	136	93%	0.934	76%	0.758	S	S	*	*			trans	70.1	148.7	169.6	-66.2	-83.9	0	0	0	118.9
405	G	28.5	Very low	31.9	Very low	59 Å²	59	135.2 Å²	135.2	61%	0.608	76%	0.758	S	S	*	*			cis	157.6	159.4	-15.4	0	0	0	0	0	116.9
406	S	26.8	Very low	32.1	Very low	100 Å²	100	137 Å²	137	70%	0.699	75%	0.754	S	S	*	*			trans	72.5	157.7	163.9	81.9	0	0	0	0	118.2
407	Y	32.7	Very low	32.2	Very low	227 Å²	227	136.8 Å²	136.8	89%	0.89	75%	0.748	S	S	*	*			cis	-138.9	170.3	-0.3	-91.1	-67.9	0	0	0	109.6
408	G	27.3	Very low	32.4	Very low	62 Å²	62	136.1 Å²	136.1	64%	0.639	74%	0.742	S	S	*	*			cis	-168.1	-166.6	9.3	0	0	0	0	0	115.3
409	Y	31.2	Very low	32.3	Very low	209 Å²	209	134.3 Å²	134.3	82%	0.82	74%	0.744	S	S	*	*			trans	-101	-174	-165.3	-94.2	-112.5	0	0	0	113.8
410	H	33.3	Very low	32.4	Very low	168 Å²	168	137.8 Å²	137.8	78%	0.778	76%	0.756	S	S	*	*			cis	-149.7	166.1	20.3	-99.6	-79.6	0	0	0	111.4
411	G	28.4	Very low	32.9	Very low	57 Å²	57	133.7 Å²	133.7	59%	0.588	75%	0.753	S	S	*	*			cis	152.7	175	-9.8	0	0	0	0	0	115.7
412	M	34.4	Very low	33.6	Very low	149 Å²	149	135.6 Å²	135.6	73%	0.734	76%	0.758	S	S	*	*			trans	69.6	146.4	168	-66.5	-94.7	90.6	0	0	118
413	Q	30.4	Very low	32.6	Very low	169 Å²	169	141.2 Å²	141.2	79%	0.79	76%	0.764	S	S	*	*			cis	-141.2	170.4	5.9	-158.6	160.2	89.8	0	0	111.8
414	S	32.8	Very low	32.3	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	77%	0.767	S	S	*	*			trans	-143.7	150.7	-166.1	-46.8	0	0	0	0	114.6
415	A	27.1	Very low	32.4	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	76%	0.763	S	S	*	*			trans	-143.8	111.1	166.1	0	0	0	0	0	110
416	Y	30.8	Very low	32.4	Very low	207 Å²	207	141.6 Å²	141.6	81%	0.812	78%	0.777	S	S	*	*				84.1	130.9	85.8	-72	-54.2	0	0	0	113.5
417	Q	30.9	Very low	32.7	Very low	148 Å²	148	142 Å²	142	69%	0.692	78%	0.78	S	S	*	*			cis	-159.8	173.3	-6.6	-162.1	166.7	5.9	0	0	111.9
418	H	31.9	Very low	33.5	Very low	171 Å²	171	136.5 Å²	136.5	79%	0.792	77%	0.772	S	S	*	*			trans	-25.9	169	176.2	-50.9	-26.3	0	0	0	121.2
419	G	29	Very low	33.7	Very low	66 Å²	66	138.6 Å²	138.6	68%	0.68	78%	0.777	S	S	*	*			cis	138.1	150.3	-5.8	0	0	0	0	0	115.6
420	Q	30.8	Very low	33.7	Very low	209 Å²	209	136.9 Å²	136.9	98%	0.977	78%	0.776	S	S	*	*			trans	72.8	162.2	172.3	-63.4	-170.1	-12.2	0	0	119.9
421	A	38.3	Very low	33.5	Very low	95 Å²	95	133 Å²	133	79%	0.785	77%	0.768	S	S	*	*			trans	-156.1	153.8	-175.9	0	0	0	0	0	112.2
422	P	43.5	Very low	33.6	Very low	129 Å²	129	135.8 Å²	135.8	84%	0.838	77%	0.773	S	S	*	*			trans	-137.9	171.3	159.4	38.1	-22.7	0	0	0	115.8
423	R	33.8	Very low	33.3	Very low	240 Å²	240	138.8 Å²	138.8	91%	0.906	78%	0.778	S	S	*	*			trans	-116.6	171.4	160.3	-80.4	-172.4	175	-165.2	-0.1	107.4
424	P	48.1	Very low	33.2	Very low	105 Å²	105	136.3 Å²	136.3	68%	0.682	78%	0.779	S	S	*	*			cis	-145	-179.2	20.6	45	-25.5	0	0	0	118.3
425	D	30	Very low	32.9	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	79%	0.786	S	S	*	*			trans	58.5	156.3	143.6	-63.9	-16.1	0	0	0	126.3
426	A	29.7	Very low	33.4	Very low	109 Å²	109	141.3 Å²	141.3	90%	0.901	79%	0.786	S	S	*	*			trans	96.8	130.3	158.5	0	0	0	0	0	120.8
427	S	32.2	Very low	33.2	Very low	109 Å²	109	135 Å²	135	76%	0.762	78%	0.784	S	S	*	*			trans	-127	161.3	177	61.9	0	0	0	0	109.8
428	P	48.9	Very low	33.1	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	80%	0.795	S	S	*	*				-160.2	170.9	88.7	41.2	-21.3	0	0	0	119
429	S	32.1	Very low	33	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	80%	0.797	S	S	*	*			trans	58.7	156.5	153.9	68.3	0	0	0	0	120.7
430	H	31.2	Very low	33	Very low	173 Å²	173	145.3 Å²	145.3	80%	0.801	81%	0.806	S	S	*	*			cis	-140.4	175	12.4	-129.3	-72.9	0	0	0	114
431	S	29.6	Very low	32.8	Very low	87 Å²	87	145.1 Å²	145.1	61%	0.608	80%	0.798	S	S	*	*			trans	-66.5	173.3	179.7	49.8	0	0	0	0	116.3
432	V	29.4	Very low	32.4	Very low	115 Å²	115	145.9 Å²	145.9	70%	0.697	80%	0.797	S	S	*	*			cis	-160.1	164.4	34.2	-151.7	0	0	0	0	113.7
433	Y	29.1	Very low	31.8	Very low	213 Å²	213	147.7 Å²	147.7	84%	0.835	79%	0.794	S	S	*	*			trans	106.8	127.6	144.3	-87.6	-63.7	0	0	0	124
434	S	27.2	Very low	32.1	Very low	117 Å²	117	141.5 Å²	141.5	82%	0.818	79%	0.786	S	S	*	*			trans	76.2	136.1	152.5	32.2	0	0	0	0	123.1
435	Q	27.1	Very low	31.4	Very low	185 Å²	185	146 Å²	146	86%	0.864	80%	0.795	S	S	*	*			trans	-105.9	-178.7	168.5	-110.8	-163.4	12.2	0	0	109.6
436	P	37.1	Very low	31.6	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	78%	0.783	S	S	*	*			cis	-125	174.5	-9.6	35.3	-18.3	0	0	0	113.9
437	G	27.3	Very low	32.3	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	77%	0.768	S	S	*	*			trans	-133.7	137.2	172.8	0	0	0	0	0	112.7
438	Y	29.6	Very low	32.3	Very low	238 Å²	238	144.1 Å²	144.1	93%	0.933	77%	0.765	S	S	*	*			trans	-79.9	150.8	176	-97.4	-105.2	0	0	0	111.9
439	Q	29.2	Very low	32.1	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	75%	0.754	S	S	*	*			trans	-78.6	145.3	170.5	-70.9	-176.1	-26.7	0	0	111.6
440	Q	28.2	Very low	32.5	Very low	188 Å²	188	143 Å²	143	88%	0.879	75%	0.747	S	S	*	*			trans	-126.7	125.1	167.4	-168.1	171	10.6	0	0	108.8
441	Y	27.7	Very low	32.8	Very low	205 Å²	205	139.2 Å²	139.2	80%	0.804	73%	0.732	S	S	*	*			trans	-73.2	139.3	-179	-91.5	-106.1	0	0	0	111.6
442	S	28.7	Very low	33.2	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	73%	0.731	S	S	*	*			trans	-122.7	129	163.9	49.7	0	0	0	0	109.9
443	Q	32	Very low	33.9	Very low	166 Å²	166	137.8 Å²	137.8	78%	0.776	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-89.5	131.3	178	-74.1	-75.8	0.9	0	0	109.9
444	P	40.2	Very low	34.4	Very low	111 Å²	111	131.5 Å²	131.5	72%	0.721	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-78.6	141.6	170.6	32.2	-32.8	0	0	0	111.1
445	F	32.4	Very low	35	Very low	200 Å²	200	131.3 Å²	131.3	88%	0.877	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-73.7	146.2	173.6	-79.9	-95.6	0	0	0	111.7
446	P	35.5	Very low	35.7	Very low	91 Å²	91	124.8 Å²	124.8	59%	0.591	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-70	154.1	177.5	28.8	-34.8	0	0	0	112.9
447	N	43	Very low	35.8	Very low	110 Å²	110	123.1 Å²	123.1	59%	0.588	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-78.1	151.7	-179.8	-169	2.6	0	0	0	111.6	S449 Q450	N447-S449 PolarHBondContact O-N 2.98Å; N447-Q450 WeakPolarHBondContact O-CB 3.2Å; N447-Q450 PolarHBondContact O-N 3.21Å
448	L	32.7	Very low	36.2	Very low	135 Å²	135	127.4 Å²	127.4	71%	0.707	70%	0.704	S	S	*	*	H	α-helix	trans	-54.5	-30.4	-177.3	-173.7	61.3	0	0	0	113.4	Q450 L451 S452	L448-Q450 VanDerWaalsContact C-N 3.27Å; L448-Q450 PolarHBondContact O-N 3.25Å; L448-L451 HydrophobicContact CD1-CD1 4.49Å; L448-L451 PolarHBondContact O-N 2.66Å; L448-S452 PolarHBondContact O-N 3.43Å
449	S	44.1	Very low	36.9	Very low	71 Å²	71	120.3 Å²	120.3	50%	0.497	69%	0.688	S	S	.	*	H	α-helix	trans	-66.5	-20.3	176	52.5	0	0	0	0	114.9	N447	N447-S449 PolarHBondContact O-N 2.98Å
450	Q	40.8	Very low	37.2	Very low	124 Å²	124	116 Å²	116	58%	0.579	69%	0.692	S	S	*	*	H	α-helix	trans	-80.9	-27.7	174.9	-68.6	178.2	-36.5	0	0	112	N447 L448 S452 A453 A454	N447-Q450 WeakPolarHBondContact O-CB 3.2Å; N447-Q450 PolarHBondContact O-N 3.21Å; L448-Q450 VanDerWaalsContact C-N 3.27Å; L448-Q450 PolarHBondContact O-N 3.25Å; Q450-S452 VanDerWaalsContact C-N 3.32Å; Q450-A453 PolarHBondContact O-N 3.35Å; Q450-A454 PolarHBondContact O-N 3.08Å
451	L	37.3	Very low	38.1	Very low	92 Å²	92	111.5 Å²	111.5	48%	0.482	68%	0.677	S	S	.	*	H	α-helix	trans	-68.5	-31.6	171.6	-83.5	159.9	0	0	0	112	L448 A453 A454 L455	L448-L451 HydrophobicContact CD1-CD1 4.49Å; L448-L451 PolarHBondContact O-N 2.66Å; L451-A453 VanDerWaalsContact C-N 3.25Å; L451-A453 PolarHBondContact O-N 2.65Å; L451-A454 PolarHBondContact O-N 3.47Å; L451-A454 VanDerWaalsContact O-N 3.11Å; L451-L455 HydrophobicContact CB-CD1 4.47Å; L451-L455 WeakPolarHBondContact O-CB 3.33Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 3.39Å
452	S	39.3	Very low	39.4	Very low	85 Å²	85	104.4 Å²	104.4	59%	0.594	66%	0.656	S	S	*	*	H	α-helix	trans	-58	-36.3	174.5	-49.3	0	0	0	0	113.1	L448 Q450	L448-S452 PolarHBondContact O-N 3.43Å; Q450-S452 VanDerWaalsContact C-N 3.32Å
453	A	43.7	Very low	40.8	Very low	88 Å²	88	107.2 Å²	107.2	73%	0.727	66%	0.657	S	S	*	*	H	α-helix	trans	-76.7	-30.7	176.5	0	0	0	0	0	112.7	Q450 L451	Q450-A453 PolarHBondContact O-N 3.35Å; L451-A453 VanDerWaalsContact C-N 3.25Å; L451-A453 PolarHBondContact O-N 2.65Å
454	A	38.3	Very low	42.1	Very low	80 Å²	80	106.1 Å²	106.1	66%	0.661	66%	0.655	S	S	*	*	H	α-helix	trans	-79.6	-22.3	177.6	0	0	0	0	0	113.6	Q450 L451	Q450-A454 PolarHBondContact O-N 3.08Å; L451-A454 PolarHBondContact O-N 3.47Å; L451-A454 VanDerWaalsContact O-N 3.11Å
455	L	40.6	Very low	43.2	Very low	114 Å²	114	103.1 Å²	103.1	60%	0.597	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	17.6	-179.1	-69.3	168.8	0	0	0	113.6	L451 G457	L451-L455 HydrophobicContact CB-CD1 4.47Å; L451-L455 WeakPolarHBondContact O-CB 3.33Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 3.39Å; L455-G457 PolarHBondContact O-N 2.94Å
456	G	41.4	Very low	44.9	Very low	47 Å²	47	100.4 Å²	100.4	49%	0.485	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-58.6	-13.7	-177	0	0	0	0	0	116.1	L458	G456-L458 PolarHBondContact O-N 3.16Å; G456-L458 VanDerWaalsContact O-N 3.11Å
457	G	39.9	Very low	47.1	Very low	79 Å²	79	100.6 Å²	100.6	81%	0.814	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-71.2	5.2	-179.9	0	0	0	0	0	116.8	L455	L455-G457 PolarHBondContact O-N 2.94Å
458	L	36.7	Very low	49	Very low	165 Å²	165	96.4 Å²	96.4	86%	0.864	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-118.2	-3.5	179.1	-67.6	177.3	0	0	0	114.8	G456	G456-L458 PolarHBondContact O-N 3.16Å; G456-L458 VanDerWaalsContact O-N 3.11Å
459	S	42.4	Very low	51.7	Low	88 Å²	88	91.9 Å²	91.9	62%	0.615	57%	0.574	S	S	*	*	S	Bend	trans	-112.8	126.1	166	-73.7	0	0	0	0	108.3	V461	S459-V461 PolarHBondContact O-N 3.49Å
460	G	37.4	Very low	53.9	Low	87 Å²	87	93.2 Å²	93.2	90%	0.897	57%	0.568	S	S	*	*			trans	-73.1	47.3	-173.4	0	0	0	0	0	115.6
461	V	46.9	Very low	56.3	Low	92 Å²	92	90 Å²	90	56%	0.558	56%	0.557	S	S	*	*			trans	-69.4	125.2	171.5	-177.6	0	0	0	0	108.3	S459 E465	S459-V461 PolarHBondContact O-N 3.49Å; V461-E465 HydrophobicContact CG1-CB 4.11Å
462	P	55	Low	59	Low	56 Å²	56	85.8 Å²	85.8	36%	0.364	54%	0.536	S	S	.	.			trans	-59.1	137.7	176.1	-24.2	34	0	0	0	112.4	L464 E465	P462-L464 PolarHBondContact O-N 2.98Å; P462-E465 HydrophobicContact CB-CG 4.43Å; P462-E465 WeakPolarHBondContact CD-OE2 3.39Å; P462-E465 PolarHBondContact O-N 2.73Å
463	E	56.6	Low	61.5	Low	171 Å²	171	82.3 Å²	82.3	80%	0.799	51%	0.511	S	S	*	.	H	α-helix	trans	-51.9	-33.6	178.5	-169.9	173.4	-171.7	0	0	112.9	E465 M466 E467	E463-E465 PolarHBondContact O-N 2.91Å; E463-M466 PolarHBondContact O-N 3.27Å; E463-E467 PolarHBondContact O-N 3.2Å
464	L	60.8	Low	64	Low	142 Å²	142	78.3 Å²	78.3	74%	0.743	48%	0.477	S	S	*	.	H	α-helix	trans	-62	-37.3	174.6	-74.3	163.1	0	0	0	114.1	P462 M466 A468	P462-L464 PolarHBondContact O-N 2.98Å; L464-M466 VanDerWaalsContact C-N 3.33Å; L464-A468 WeakPolarHBondContact O-CB 3.46Å; L464-A468 PolarHBondContact O-N 3.33Å
465	E	61.8	Low	66.6	Low	49 Å²	49	76.6 Å²	76.6	23%	0.229	46%	0.456	C	S	.	.	H	α-helix	trans	-72	-31.5	178.7	-64.4	-167.6	136.5	0	0	111.3	V461 P462 E463 A468 L469 N492	V461-E465 HydrophobicContact CG1-CB 4.11Å; P462-E465 HydrophobicContact CB-CG 4.43Å; P462-E465 WeakPolarHBondContact CD-OE2 3.39Å; P462-E465 PolarHBondContact O-N 2.73Å; E463-E465 PolarHBondContact O-N 2.91Å; E465-A468 PolarHBondContact O-N 2.88Å; E465-L469 PolarHBondContact O-N 3.46Å; E465-N492 WeakPolarHBondContact OE1-CB 3.39Å; E465-N492 PolarHBondContact OE1-ND2 2.96Å; E465-N492 PolarHBondContact OE2-ND2 3.21Å
466	M	68.5	Low	69	Low	143 Å²	143	78 Å²	78	70%	0.704	46%	0.46	S	S	*	.	H	α-helix	trans	-70.6	-38.1	177.1	-163.5	174.7	71.2	0	0	112.1	E463 L464 R470	E463-M466 PolarHBondContact O-N 3.27Å; L464-M466 VanDerWaalsContact C-N 3.33Å; M466-R470 PolarHBondContact O-N 2.75Å
467	E	81.3	Confident	71.4	Confident	94 Å²	94	79.5 Å²	79.5	44%	0.439	45%	0.454	S	S	.	.	H	α-helix	trans	-70.8	-40.2	171.5	175.8	56.9	-163.1	0	0	111.8	E463 L469 R470 A1016	E463-E467 PolarHBondContact O-N 3.2Å; E467-L469 PolarHBondContact O-N 3.15Å; E467-R470 VanDerWaalsContact CD-NE 3.26Å; E467-R470 VanDerWaalsContact O-CB 3.24Å; E467-R470 WeakPolarHBondContact O-CB 3.48Å; E467-R470 PolarHBondContact O-N 3.31Å; E467-R470 IonicContact OE1-CZ 3.08Å; E467-R470 VanDerWaalsContact OE1-CZ 3.27Å; E467-R470 IonicContact OE1-NE 2.8Å; E467-R470 PolarHBondContact OE1-NE 2.99Å; E467-R470 IonicContact OE1-NH2 3.44Å; E467-R470 PolarHBondContact OE1-NH2 3.37Å; E467-R470 VanDerWaalsContact OE2-CD 3.29Å; E467-R470 WeakPolarHBondContact OE2-CD 3.47Å; E467-R470 IonicContact OE2-CZ 3.85Å; E467-R470 IonicContact OE2-NE 2.68Å; E467-R470 PolarHBondContact OE2-NE 3.31Å; E467-R470 IonicContact OE2-NH2 3.59Å; E467-A1016 VanDerWaalsContact O-CB 3.28Å; E467-A1016 WeakPolarHBondContact O-CB 3.35Å
468	A	84.1	Confident	73.7	Confident	22 Å²	22	84.7 Å²	84.7	18%	0.182	45%	0.449	C	S	.	.	H	α-helix	trans	-56.7	-35.8	177.8	0	0	0	0	0	112.9	L464 E465 A1016 A1017	L464-A468 WeakPolarHBondContact O-CB 3.46Å; L464-A468 PolarHBondContact O-N 3.33Å; E465-A468 PolarHBondContact O-N 2.88Å; A468-A1016 PolarHBondContact O-N 2.64Å; A468-A1016 VanDerWaalsContact O-N 3.12Å; A468-A1017 HydrophobicContact CB-CB 4.39Å; A468-A1017 PolarHBondContact O-N 2.83Å
469	L	88.5	Confident	76.1	Confident	41 Å²	41	81.3 Å²	81.3	22%	0.215	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.2	176.6	-71.8	177.8	0	0	0	115.1	E465 E467 P471 S954 A958 P1015	E465-L469 PolarHBondContact O-N 3.46Å; E467-L469 PolarHBondContact O-N 3.15Å; L469-P471 WeakPolarHBondContact O-CD 3.46Å; L469-S954 WeakPolarHBondContact CD2-O 3.05Å; L469-A958 HydrophobicContact CD1-CB 4.11Å; L469-A958 HydrophobicContact CD2-CB 4.12Å; L469-A958 HydrophobicContact CG-CB 3.88Å; L469-P1015 HydrophobicContact CD2-CB 4.18Å
470	R	91.1	Very high	78.4	Confident	98 Å²	98	77.1 Å²	77.1	37%	0.37	40%	0.403	S	S	.	.			trans	-57.2	126.2	179.7	-177.3	174.6	56.8	79.7	-0.3	110.4	M466 E467 V472 A1016	M466-R470 PolarHBondContact O-N 2.75Å; E467-R470 VanDerWaalsContact CD-NE 3.26Å; E467-R470 VanDerWaalsContact O-CB 3.24Å; E467-R470 WeakPolarHBondContact O-CB 3.48Å; E467-R470 PolarHBondContact O-N 3.31Å; E467-R470 IonicContact OE1-CZ 3.08Å; E467-R470 VanDerWaalsContact OE1-CZ 3.27Å; E467-R470 IonicContact OE1-NE 2.8Å; E467-R470 PolarHBondContact OE1-NE 2.99Å; E467-R470 IonicContact OE1-NH2 3.44Å; E467-R470 PolarHBondContact OE1-NH2 3.37Å; E467-R470 VanDerWaalsContact OE2-CD 3.29Å; E467-R470 WeakPolarHBondContact OE2-CD 3.47Å; E467-R470 IonicContact OE2-CZ 3.85Å; E467-R470 IonicContact OE2-NE 2.68Å; E467-R470 PolarHBondContact OE2-NE 3.31Å; E467-R470 IonicContact OE2-NH2 3.59Å; R470-V472 PolarHBondContact O-N 2.89Å; R470-A1016 HydrophobicContact CB-CB 4.38Å; R470-A1016 PolarHBondContact O-N 2.75Å
471	P	91.4	Very high	80.9	Confident	56 Å²	56	74.1 Å²	74.1	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.4	177.2	-23.8	34.4	0	0	0	112.5	L469 V1013 V1014	L469-P471 WeakPolarHBondContact O-CD 3.46Å; P471-V1013 HydrophobicContact CB-CG1 3.91Å; P471-V1014 WeakPolarHBondContact CA-O 3.42Å
472	V	92.9	Very high	82.9	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.1	175.1	-173.2	0	0	0	0	108.8	R470 L474 E477 L480 V1013 V1014 A1016 R1019	R470-V472 PolarHBondContact O-N 2.89Å; V472-L474 HydrophobicContact CG1-CD2 3.96Å; V472-E477 HydrophobicContact CG1-CB 3.87Å; V472-E477 HydrophobicContact CG1-CG 3.99Å; V472-L480 HydrophobicContact CG1-CD2 4.18Å; V472-V1013 WeakPolarHBondContact O-CA 3.41Å; V472-V1014 HydrophobicContact CB-CG2 4.41Å; V472-V1014 PolarHBondContact N-O 3.04Å; V472-V1014 PolarHBondContact O-N 2.95Å; V472-A1016 HydrophobicContact CG2-CB 4.01Å; V472-R1019 HydrophobicContact CG2-CB 4.44Å
473	N	93.1	Very high	84.2	Confident	12 Å²	12	71.5 Å²	71.5	6%	0.064	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	102.9	173.8	-170.2	-22.5	0	0	0	109.6	L475 Q476 E477 S1010 V1012 V1013	N473-L475 PolarHBondContact O-N 2.98Å; N473-L475 VanDerWaalsContact O-N 3.16Å; N473-L475 PolarHBondContact OD1-N 2.89Å; N473-Q476 HydrophobicContact CB-CB 4.42Å; N473-Q476 HydrophobicContact CB-CG 4.48Å; N473-Q476 PolarHBondContact O-N 3.34Å; N473-E477 PolarHBondContact O-N 2.99Å; N473-S1010 PolarHBondContact ND2-O 2.92Å; N473-S1010 VanDerWaalsContact ND2-O 3.13Å; N473-V1012 WeakPolarHBondContact CA-O 3.39Å; N473-V1013 HydrophobicContact CB-CG2 4.24Å
474	L	95.1	Very high	85.5	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.021	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.4	-170	-57.9	179.2	0	0	0	113.9	V472 Q476 L480 V1012 V1014 R1019 P1022 L1206	V472-L474 HydrophobicContact CG1-CD2 3.96Å; L474-Q476 VanDerWaalsContact C-N 3.33Å; L474-L480 HydrophobicContact CD2-CD1 4.15Å; L474-L480 HydrophobicContact CD2-CD2 3.61Å; L474-V1012 HydrophobicContact CD1-CG1 4.08Å; L474-V1012 PolarHBondContact N-O 3.44Å; L474-V1014 HydrophobicContact CD1-CG1 4.09Å; L474-V1014 HydrophobicContact CD1-CG2 3.83Å; L474-V1014 HydrophobicContact CD2-CG2 3.84Å; L474-V1014 HydrophobicContact CG-CG2 3.85Å; L474-R1019 HydrophobicContact CD2-CB 4.29Å; L474-P1022 HydrophobicContact CD1-CG 3.65Å; L474-L1206 HydrophobicContact CB-CD1 3.74Å; L474-L1206 HydrophobicContact CB-CD2 3.96Å; L474-L1206 HydrophobicContact CD1-CD2 3.97Å; L474-L1206 WeakPolarHBondContact O-CD1 3.45Å
475	L	92.9	Very high	86.7	Confident	44 Å²	44	65.5 Å²	65.5	23%	0.23	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.4	173.6	-68.6	172.5	0	0	0	113.1	N473 V1012 L1206	N473-L475 PolarHBondContact O-N 2.98Å; N473-L475 VanDerWaalsContact O-N 3.16Å; N473-L475 PolarHBondContact OD1-N 2.89Å; L475-V1012 HydrophobicContact CD1-CG2 4.25Å; L475-V1012 HydrophobicContact CG-CG2 4.35Å; L475-L1206 HydrophobicContact CD2-CB 3.56Å; L475-L1206 HydrophobicContact CD2-CD1 4.2Å; L475-L1206 HydrophobicContact CG-CB 4.43Å
476	Q	91.6	Very high	88	Confident	143 Å²	143	65.8 Å²	65.8	67%	0.668	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-41.7	-179.8	-63.7	179.9	-23.1	0	0	111.3	N473 L474	N473-Q476 HydrophobicContact CB-CB 4.42Å; N473-Q476 HydrophobicContact CB-CG 4.48Å; N473-Q476 PolarHBondContact O-N 3.34Å; L474-Q476 VanDerWaalsContact C-N 3.33Å
477	E	91.4	Very high	89	Confident	78 Å²	78	67 Å²	67	36%	0.364	33%	0.327	S	S	.	.			trans	-75.3	123.6	179.7	-174.2	55.1	-97.2	0	0	111.6	V472 N473 N479 L480	V472-E477 HydrophobicContact CG1-CB 3.87Å; V472-E477 HydrophobicContact CG1-CG 3.99Å; N473-E477 PolarHBondContact O-N 2.99Å; E477-N479 PolarHBondContact OE1-N 3.41Å; E477-L480 HydrophobicContact CB-CD2 4.01Å; E477-L480 HydrophobicContact CG-CD2 3.58Å; E477-L480 HydrophobicContact CG-CG 4.41Å
478	R	87.4	Confident	89.5	Confident	188 Å²	188	63.8 Å²	63.8	71%	0.709	32%	0.317	S	S	*	.			trans	-107.8	-15.9	-178.9	-71.5	-166.6	179.9	-148.1	2.8	114.1	H1094	R478-H1094 PolarHBondContact O-CE1 3.18Å; R478-H1094 PolarHBondContact O-NE2 2.96Å
479	N	88.9	Confident	90	Very high	94 Å²	94	64.7 Å²	64.7	50%	0.503	32%	0.321	S	S	.	.			trans	-110.2	72.4	-179.1	-60.3	-61.9	0	0	0	109.4	E477 R1099	E477-N479 PolarHBondContact OE1-N 3.41Å; N479-R1099 PolarHBondContact OD1-NH2 2.83Å
480	L	90.6	Very high	90.1	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.005	34%	0.337	C	S	.	.			trans	-81.6	-28.3	-175.2	-62.7	173.4	0	0	0	112.9	V472 L474 E477 R1019 L1020 H1094 Y1202	V472-L480 HydrophobicContact CG1-CD2 4.18Å; L474-L480 HydrophobicContact CD2-CD1 4.15Å; L474-L480 HydrophobicContact CD2-CD2 3.61Å; E477-L480 HydrophobicContact CB-CD2 4.01Å; E477-L480 HydrophobicContact CG-CD2 3.58Å; E477-L480 HydrophobicContact CG-CG 4.41Å; L480-R1019 HydrophobicContact CD2-CB 4.38Å; L480-R1019 PolarHBondContact O-NE 3.03Å; L480-R1019 PolarHBondContact O-NH1 3.16Å; L480-R1019 PolarHBondContact O-NH2 2.93Å; L480-L1020 HydrophobicContact CB-CD2 3.97Å; L480-L1020 WeakPolarHBondContact O-CD2 3.43Å; L480-H1094 PolarHBondContact N-NE2 2.97Å; L480-Y1202 HydrophobicContact CD1-CE1 3.49Å; L480-Y1202 VanDerWaalsContact CD1-CE1 3.49Å; L480-Y1202 WeakPolarHBondContact CD1-OH 3.29Å
481	L	89.9	Confident	90.3	Very high	24 Å²	24	64.6 Å²	64.6	13%	0.126	33%	0.325	C	S	.	.	S	Bend	trans	-73.8	138.5	178.8	-68.6	173.9	0	0	0	111.6	L1020 L1023 H1094	L481-L1020 HydrophobicContact CD2-CD1 4.38Å; L481-L1020 HydrophobicContact CD2-CD2 3.9Å; L481-L1023 HydrophobicContact CD2-CD2 4.5Å; L481-H1094 HydrophobicContact CD1-CB 4.39Å; L481-H1094 PolarHBondContact N-NE2 3.3Å
482	P	87.8	Confident	90.4	Very high	31 Å²	31	65.1 Å²	65.1	20%	0.201	33%	0.325	C	S	.	.			trans	-65.6	156.1	162.5	29.3	-33.4	0	0	0	111	R484 L486	P482-R484 WeakPolarHBondContact CB-O 3.37Å; P482-R484 WeakPolarHBondContact CG-O 3.38Å; P482-R484 PolarHBondContact O-N 3.35Å; P482-L486 HydrophobicContact CG-CB 4.34Å; P482-L486 HydrophobicContact CG-CD1 4.19Å
483	S	83.1	Confident	90.5	Very high	62 Å²	62	65.4 Å²	65.4	43%	0.434	33%	0.326	S	S	.	.	S	Bend	trans	-69.4	-20.2	178.3	52.5	0	0	0	0	113.9	H1091 L1092	S483-H1091 VanDerWaalsContact O-CA 3.31Å; S483-H1091 WeakPolarHBondContact O-CA 3.48Å; S483-L1092 PolarHBondContact O-N 2.8Å; S483-L1092 VanDerWaalsContact O-N 3.09Å
484	R	83.8	Confident	90.5	Very high	124 Å²	124	67.8 Å²	67.8	47%	0.468	34%	0.344	S	S	.	.	S	Bend	trans	-123	158.5	175.9	-69.6	-179	170	-170.7	-7.1	109.7	P482 L486 G1078	P482-R484 WeakPolarHBondContact CB-O 3.37Å; P482-R484 WeakPolarHBondContact CG-O 3.38Å; P482-R484 PolarHBondContact O-N 3.35Å; R484-L486 PolarHBondContact O-N 3.16Å; R484-G1078 PolarHBondContact NH2-O 3.29Å
485	P	85.1	Confident	90.5	Very high	62 Å²	62	71.9 Å²	71.9	40%	0.403	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-49.3	139.1	176.3	-29.1	36.2	0	0	0	113	E487 L1092	P485-E487 PolarHBondContact O-N 3.19Å; P485-L1092 HydrophobicContact CG-CD1 4.28Å
486	L	89	Confident	90.5	Very high	56 Å²	56	74.8 Å²	74.8	29%	0.293	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-68.1	120.4	-176.3	-172.7	80.5	0	0	0	110.8	P482 R484 V962 Q963 L1020	P482-L486 HydrophobicContact CG-CB 4.34Å; P482-L486 HydrophobicContact CG-CD1 4.19Å; R484-L486 PolarHBondContact O-N 3.16Å; L486-V962 HydrophobicContact CD2-CG1 3.6Å; L486-Q963 HydrophobicContact CD2-CG 4.2Å; L486-Q963 PolarHBondContact O-NE2 2.87Å; L486-Q963 VanDerWaalsContact O-NE2 3.14Å; L486-L1020 HydrophobicContact CD2-CD1 4.32Å
487	E	89.7	Confident	90.6	Very high	167 Å²	167	70 Å²	70	78%	0.78	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-72.6	159.9	175	-62.1	-174.3	-179.8	0	0	111.9	P485	P485-E487 PolarHBondContact O-N 3.19Å
488	A	93.1	Very high	90.8	Very high	27 Å²	27	69.2 Å²	69.2	22%	0.223	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73	137.7	175.2	0	0	0	0	0	110.2	E490 P504 R508	A488-E490 PolarHBondContact O-N 3.03Å; A488-P504 HydrophobicContact CB-CB 3.61Å; A488-P504 HydrophobicContact CB-CG 4.06Å; A488-R508 VanDerWaalsContact CB-CZ 3.49Å
489	P	93.5	Very high	91.1	Very high	42 Å²	42	67.6 Å²	67.6	27%	0.273	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-57.1	128.9	173.9	-23.6	33.6	0	0	0	111.2	P491 T512 D961	P489-P491 WeakPolarHBondContact O-CD 3.48Å; P489-T512 HydrophobicContact CB-CG2 4.24Å; P489-D961 HydrophobicContact CG-CB 4.08Å
490	E	91.8	Very high	91.4	Very high	118 Å²	118	64.5 Å²	64.5	55%	0.551	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-76.5	126.4	175.6	-166	-172.2	-153.3	0	0	109.7	A488 N492 K498	A488-E490 PolarHBondContact O-N 3.03Å; E490-N492 PolarHBondContact O-N 3.27Å; E490-K498 HydrophobicContact CG-CD 4.46Å; E490-K498 WeakPolarHBondContact OE1-CD 3.06Å; E490-K498 IonicContact OE1-NZ 2.99Å; E490-K498 WeakPolarHBondContact OE2-CE 3.25Å; E490-K498 IonicContact OE2-NZ 2.85Å; E490-K498 PolarHBondContact OE2-NZ 2.99Å
491	P	94.4	Very high	91.8	Very high	19 Å²	19	65.5 Å²	65.5	12%	0.123	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60.1	135.1	177	-24.1	34.6	0	0	0	112.3	P489 L493 K498 T512 L947	P489-P491 WeakPolarHBondContact O-CD 3.48Å; P491-L493 VanDerWaalsContact C-N 3.28Å; P491-L493 HydrophobicContact CB-CD1 4.32Å; P491-L493 HydrophobicContact CB-CG 4.2Å; P491-L493 PolarHBondContact O-N 3.38Å; P491-K498 WeakPolarHBondContact O-CE 3.3Å; P491-T512 HydrophobicContact CG-CG2 4.18Å; P491-L947 HydrophobicContact CB-CD2 3.58Å; P491-L947 HydrophobicContact CG-CD2 3.37Å
492	N	93.6	Very high	92.1	Very high	66 Å²	66	64.8 Å²	64.8	35%	0.353	35%	0.346	S	S	.	.			trans	-73	83	176.7	-169.1	0.6	0	0	0	111.3	E465 E490 P948	E465-N492 WeakPolarHBondContact OE1-CB 3.39Å; E465-N492 PolarHBondContact OE1-ND2 2.96Å; E465-N492 PolarHBondContact OE2-ND2 3.21Å; E490-N492 PolarHBondContact O-N 3.27Å; N492-P948 HydrophobicContact CB-CG 4.4Å; N492-P948 WeakPolarHBondContact O-CB 3.4Å; N492-P948 WeakPolarHBondContact O-CG 3.1Å
493	L	94.6	Very high	92.5	Very high	11 Å²	11	65.8 Å²	65.8	6%	0.058	35%	0.353	C	S	.	.			trans	-117.1	164.2	174.2	-62.2	174.8	0	0	0	110.2	P491 L497 K498 N501 L922 C946	P491-L493 VanDerWaalsContact C-N 3.28Å; P491-L493 HydrophobicContact CB-CD1 4.32Å; P491-L493 HydrophobicContact CB-CG 4.2Å; P491-L493 PolarHBondContact O-N 3.38Å; L493-L497 HydrophobicContact CB-CB 4.03Å; L493-L497 HydrophobicContact CD1-CB 4.25Å; L493-K498 HydrophobicContact CB-CG 3.93Å; L493-K498 WeakPolarHBondContact O-CD 3.3Å; L493-K498 WeakPolarHBondContact O-CE 3.34Å; L493-N501 WeakPolarHBondContact CD1-ND2 3.42Å; L493-L922 HydrophobicContact CD2-CD2 3.48Å; L493-L922 VanDerWaalsContact CD2-CD2 3.48Å; L493-C946 HydrophobicContact CD1-CB 4.31Å
494	S	94.4	Very high	93.1	Very high	62 Å²	62	66 Å²	66	43%	0.434	35%	0.353	S	S	.	.			trans	-60.9	151.9	170.9	64.8	0	0	0	0	111.5	D496 L497 K498	S494-D496 PolarHBondContact O-N 2.87Å; S494-L497 PolarHBondContact O-N 2.66Å; S494-L497 WeakPolarHBondContact OG-CG 3.48Å; S494-K498 PolarHBondContact O-N 3.02Å
495	P	93.9	Very high	93.6	Very high	91 Å²	91	65.4 Å²	65.4	59%	0.591	36%	0.356	S	S	*	.	H	α-helix	trans	-55.4	-30.6	-173.3	-29.3	36.4	0	0	0	115	K499	P495-K499 WeakPolarHBondContact O-CD 3.36Å; P495-K499 VanDerWaalsContact O-CE 3.32Å; P495-K499 WeakPolarHBondContact O-CE 3.49Å; P495-K499 VanDerWaalsContact O-CG 3.27Å; P495-K499 WeakPolarHBondContact O-CG 3.45Å; P495-K499 PolarHBondContact O-N 3.03Å
496	D	92.5	Very high	94.1	Very high	104 Å²	104	62.7 Å²	62.7	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-78.7	-35.1	178.7	-59.2	-48.9	0	0	0	112.7	S494 K499	S494-D496 PolarHBondContact O-N 2.87Å; D496-K499 IonicContact OD1-NZ 3.47Å; D496-K499 PolarHBondContact OD1-NZ 3.49Å
497	L	94.8	Very high	94.5	Very high	43 Å²	43	60.1 Å²	60.1	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-71.1	-32.4	172.7	-65.5	-172.9	0	0	0	112.1	L493 S494 N501 F562 L922	L493-L497 HydrophobicContact CB-CB 4.03Å; L493-L497 HydrophobicContact CD1-CB 4.25Å; S494-L497 PolarHBondContact O-N 2.66Å; S494-L497 WeakPolarHBondContact OG-CG 3.48Å; L497-N501 PolarHBondContact O-N 2.86Å; L497-F562 HydrophobicContact CD2-CD1 3.98Å; L497-F562 HydrophobicContact CD2-CE1 4.28Å; L497-L922 HydrophobicContact CD1-CD1 4.01Å
498	K	94.3	Very high	94.8	Very high	61 Å²	61	53.6 Å²	53.6	27%	0.265	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-51.8	171.8	-73.4	-178.7	160.8	-165.1	0	111.7	E490 P491 L493 S494 V500 N501	E490-K498 HydrophobicContact CG-CD 4.46Å; E490-K498 WeakPolarHBondContact OE1-CD 3.06Å; E490-K498 IonicContact OE1-NZ 2.99Å; E490-K498 WeakPolarHBondContact OE2-CE 3.25Å; E490-K498 IonicContact OE2-NZ 2.85Å; E490-K498 PolarHBondContact OE2-NZ 2.99Å; P491-K498 WeakPolarHBondContact O-CE 3.3Å; L493-K498 HydrophobicContact CB-CG 3.93Å; L493-K498 WeakPolarHBondContact O-CD 3.3Å; L493-K498 WeakPolarHBondContact O-CE 3.34Å; S494-K498 PolarHBondContact O-N 3.02Å; K498-V500 VanDerWaalsContact C-N 3.26Å; K498-V500 PolarHBondContact O-N 3.21Å; K498-N501 WeakPolarHBondContact O-CB 3.39Å; K498-N501 PolarHBondContact O-N 3.27Å; K498-N501 VanDerWaalsContact O-N 3.1Å
499	K	94.6	Very high	95.1	Very high	155 Å²	155	52.4 Å²	52.4	67%	0.674	28%	0.283	S	S	*	.	H	α-helix	trans	-54.7	-36.6	-178.9	-69.1	162.4	-158.8	166.4	0	113.9	P495 D496	P495-K499 WeakPolarHBondContact O-CD 3.36Å; P495-K499 VanDerWaalsContact O-CE 3.32Å; P495-K499 WeakPolarHBondContact O-CE 3.49Å; P495-K499 VanDerWaalsContact O-CG 3.27Å; P495-K499 WeakPolarHBondContact O-CG 3.45Å; P495-K499 PolarHBondContact O-N 3.03Å; D496-K499 IonicContact OD1-NZ 3.47Å; D496-K499 PolarHBondContact OD1-NZ 3.49Å
500	V	95.7	Very high	95.3	Very high	28 Å²	28	50.4 Å²	50.4	17%	0.17	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	0.8	-177.2	-57.8	0	0	0	0	113.8	K498 P561 F562 S607	K498-V500 VanDerWaalsContact C-N 3.26Å; K498-V500 PolarHBondContact O-N 3.21Å; V500-P561 HydrophobicContact CB-CB 3.96Å; V500-P561 HydrophobicContact CB-CG 4.27Å; V500-P561 HydrophobicContact CG2-CB 3.65Å; V500-P561 HydrophobicContact CG2-CG 4.43Å; V500-F562 HydrophobicContact CG2-CE1 4.05Å; V500-F562 HydrophobicContact CG2-CZ 4.35Å; V500-S607 WeakPolarHBondContact O-CB 3.2Å; V500-S607 PolarHBondContact O-N 3.05Å; V500-S607 PolarHBondContact O-OG 2.69Å
501	N	97.4	Very high	95.6	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.123	24%	0.244	C	C	.	.	S	Bend	trans	-72	167	-174.5	-150.1	0.1	0	0	0	113.4	L493 L497 K498 F562 S607 C946	L493-N501 WeakPolarHBondContact CD1-ND2 3.42Å; L497-N501 PolarHBondContact O-N 2.86Å; K498-N501 WeakPolarHBondContact O-CB 3.39Å; K498-N501 PolarHBondContact O-N 3.27Å; K498-N501 VanDerWaalsContact O-N 3.1Å; N501-F562 HydrophobicContact CB-CZ 4.47Å; N501-S607 VanDerWaalsContact C-CB 3.49Å; N501-S607 PolarHBondContact O-OG 3.12Å; N501-C946 PolarHBondContact ND2-O 2.93Å; N501-C946 PolarHBondContact OD1-N 2.68Å
502	C	97.2	Very high	95.8	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.061	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70	139.1	179	-162.3	0	0	0	0	111.1	F507 S607 T944 L945	C502-F507 HydrophobicContact CB-CB 4.14Å; C502-F507 WeakPolarHBondContact SG-CB 3.3Å; C502-S607 WeakPolarHBondContact CA-OG 3.46Å; C502-S607 PolarHBondContact N-OG 2.77Å; C502-T944 WeakPolarHBondContact CB-O 3.37Å; C502-L945 HydrophobicContact CB-CB 4.17Å; C502-L945 HydrophobicContact CB-CD1 4.33Å
503	S	96.1	Very high	96	Very high	52 Å²	52	41.4 Å²	41.4	36%	0.364	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-60	130.7	173.8	176.6	0	0	0	0	110.4	Q505 T506 F507	S503-Q505 PolarHBondContact O-N 3.47Å; S503-Q505 VanDerWaalsContact O-N 3.14Å; S503-Q505 PolarHBondContact OG-N 3.02Å; S503-T506 WeakPolarHBondContact O-CB 3.45Å; S503-T506 PolarHBondContact O-N 3.14Å; S503-F507 PolarHBondContact O-N 3.13Å
504	P	95.6	Very high	96.2	Very high	65 Å²	65	40.9 Å²	40.9	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.9	177	26.4	-34.4	0	0	0	112.5	A488 T506 R508	A488-P504 HydrophobicContact CB-CB 3.61Å; A488-P504 HydrophobicContact CB-CG 4.06Å; P504-T506 PolarHBondContact O-N 2.85Å; P504-R508 HydrophobicContact CB-CG 3.7Å; P504-R508 WeakPolarHBondContact O-CD 3.15Å; P504-R508 VanDerWaalsContact O-CG 3.26Å; P504-R508 WeakPolarHBondContact O-CG 3.39Å
505	Q	93.5	Very high	96.4	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.6	170.9	-42.1	-171	3.7	0	0	113.9	S503 R536	S503-Q505 PolarHBondContact O-N 3.47Å; S503-Q505 VanDerWaalsContact O-N 3.14Å; S503-Q505 PolarHBondContact OG-N 3.02Å; Q505-R536 VanDerWaalsContact O-CD 3.28Å; Q505-R536 WeakPolarHBondContact O-CD 3.27Å; Q505-R536 PolarHBondContact O-NH1 3.19Å; Q505-R536 VanDerWaalsContact OE1-NH2 3.16Å
506	T	96.3	Very high	96.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.031	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-38.4	-179.8	-48.2	0	0	0	0	112.1	S503 P504 L532 H533 H943	S503-T506 WeakPolarHBondContact O-CB 3.45Å; S503-T506 PolarHBondContact O-N 3.14Å; P504-T506 PolarHBondContact O-N 2.85Å; T506-L532 WeakPolarHBondContact O-CA 3.43Å; T506-H533 PolarHBondContact O-N 2.76Å; T506-H943 VanDerWaalsContact CG2-CE1 3.46Å; T506-H943 WeakPolarHBondContact CG2-CE1 3.3Å; T506-H943 WeakPolarHBondContact CG2-ND1 3.42Å
507	F	97.7	Very high	96.9	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	116.2	-177.6	-158	176.2	0	0	0	109.6	C502 S503 L530 L531 L532 F925 A927 H943 L945	C502-F507 HydrophobicContact CB-CB 4.14Å; C502-F507 WeakPolarHBondContact SG-CB 3.3Å; S503-F507 PolarHBondContact O-N 3.13Å; F507-L530 HydrophobicContact CE2-CB 4.1Å; F507-L530 HydrophobicContact CE2-CD1 4.06Å; F507-L530 HydrophobicContact CE2-CD2 3.99Å; F507-L530 HydrophobicContact CE2-CG 4.27Å; F507-L530 HydrophobicContact CZ-CD1 4.34Å; F507-L531 WeakPolarHBondContact CA-O 3.39Å; F507-L532 HydrophobicContact CD2-CD2 3.85Å; F507-L532 HydrophobicContact CD2-CG 3.72Å; F507-L532 HydrophobicContact CE1-CD2 4.43Å; F507-L532 HydrophobicContact CE2-CD1 4.27Å; F507-L532 HydrophobicContact CE2-CD2 3.52Å; F507-L532 HydrophobicContact CE2-CG 3.68Å; F507-L532 HydrophobicContact CG-CD2 4.42Å; F507-L532 HydrophobicContact CZ-CD2 3.84Å; F507-L532 HydrophobicContact CZ-CG 4.49Å; F507-F925 HydrophobicContact CE1-CB 4.19Å; F507-F925 HydrophobicContact CZ-CB 3.72Å; F507-A927 HydrophobicContact CE1-CB 4.21Å; F507-A927 HydrophobicContact CZ-CB 4.4Å; F507-H943 HydrophobicContact CD1-CB 3.94Å; F507-L945 HydrophobicContact CD1-CB 3.64Å; F507-L945 HydrophobicContact CD2-CD2 4.12Å; F507-L945 HydrophobicContact CE1-CB 3.85Å; F507-L945 HydrophobicContact CE2-CD2 4.41Å; F507-L945 HydrophobicContact CG-CB 4.07Å; F507-L945 HydrophobicContact CG-CD2 4.22Å; F507-L945 HydrophobicContact CZ-CB 4.44Å
508	R	96	Very high	97	Very high	29 Å²	29	34 Å²	34	11%	0.109	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	159.7	174.6	-82.9	163.8	83	162.3	-2.3	110.5	A488 P504 L530 L531 D961 Q963	A488-R508 VanDerWaalsContact CB-CZ 3.49Å; P504-R508 HydrophobicContact CB-CG 3.7Å; P504-R508 WeakPolarHBondContact O-CD 3.15Å; P504-R508 VanDerWaalsContact O-CG 3.26Å; P504-R508 WeakPolarHBondContact O-CG 3.39Å; R508-L530 WeakPolarHBondContact O-CA 3.3Å; R508-L531 PolarHBondContact N-O 3.13Å; R508-L531 PolarHBondContact O-N 3.29Å; R508-D961 IonicContact CZ-OD1 3.39Å; R508-D961 IonicContact CZ-OD2 3.24Å; R508-D961 IonicContact NE-OD2 2.71Å; R508-D961 PolarHBondContact NE-OD2 3.44Å; R508-D961 IonicContact NH2-OD1 2.71Å; R508-D961 PolarHBondContact NH2-OD1 2.72Å; R508-D961 IonicContact NH2-OD2 3.33Å; R508-D961 PolarHBondContact NH2-OD2 3.09Å; R508-Q963 VanDerWaalsContact NH1-OE1 3.13Å
509	C	98.6	Very high	97.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.2	166	-172.5	0	0	0	0	108.8	L511 G529 L530 L945 L947	C509-L511 PolarHBondContact O-N 2.82Å; C509-L511 PolarHBondContact SG-O 2.99Å; C509-L511 VanDerWaalsContact SG-O 3.34Å; C509-G529 CarbonylContact C-O 3.48Å; C509-G529 VanDerWaalsContact CA-O 3.27Å; C509-G529 WeakPolarHBondContact CA-O 3.49Å; C509-G529 PolarHBondContact SG-O 3.37Å; C509-L530 HydrophobicContact CB-CD2 3.93Å; C509-L945 HydrophobicContact CB-CD2 4.31Å; C509-L947 HydrophobicContact CB-CD1 3.53Å
510	T	98.8	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-66.6	-25.8	174.5	55.1	0	0	0	0	113.4	P527 L528 G529 L531 D961 A964 I965 L968	T510-P527 VanDerWaalsContact CB-O 3.3Å; T510-P527 WeakPolarHBondContact CB-O 3.2Å; T510-P527 PolarHBondContact OG1-O 3.37Å; T510-L528 WeakPolarHBondContact OG1-CA 3.21Å; T510-G529 PolarHBondContact N-O 2.98Å; T510-G529 PolarHBondContact OG1-N 2.95Å; T510-G529 PolarHBondContact OG1-O 3.18Å; T510-L531 HydrophobicContact CG2-CD1 4.26Å; T510-D961 PolarHBondContact O-N 2.7Å; T510-A964 HydrophobicContact CG2-CB 4.08Å; T510-I965 HydrophobicContact CG2-CG1 4.21Å; T510-L968 HydrophobicContact CG2-CB 4.14Å; T510-L968 HydrophobicContact CG2-CD2 3.7Å
511	L	98.6	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-129.8	107.1	178.2	-59.7	174.6	0	0	0	107.7	C509 S513 I514 P515 L521 L526 L528 V956 G959 A960	C509-L511 PolarHBondContact O-N 2.82Å; C509-L511 PolarHBondContact SG-O 2.99Å; C509-L511 VanDerWaalsContact SG-O 3.34Å; L511-S513 PolarHBondContact O-N 3.25Å; L511-I514 WeakPolarHBondContact O-CD1 3.26Å; L511-P515 HydrophobicContact CD1-CG 4Å; L511-L521 HydrophobicContact CD1-CD1 3.86Å; L511-L526 HydrophobicContact CD2-CB 4.14Å; L511-L526 HydrophobicContact CD2-CD1 3.87Å; L511-L528 HydrophobicContact CB-CD1 4.08Å; L511-L528 HydrophobicContact CD1-CB 4.45Å; L511-L528 HydrophobicContact CD1-CD1 4.01Å; L511-L528 HydrophobicContact CG-CD1 4.35Å; L511-V956 HydrophobicContact CD1-CG1 4.06Å; L511-V956 HydrophobicContact CD2-CG1 4.01Å; L511-G959 CarbonylContact C-O 3.57Å; L511-G959 WeakPolarHBondContact CA-O 3.1Å; L511-A960 HydrophobicContact CD2-CB 4.34Å
512	T	98	Very high	97.5	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.055	17%	0.174	C	C	.	.	S	Bend	trans	-73.5	-19.5	175.1	64.4	0	0	0	0	112.2	P489 P491 L947 P948 G959	P489-T512 HydrophobicContact CB-CG2 4.24Å; P491-T512 HydrophobicContact CG-CG2 4.18Å; T512-L947 HydrophobicContact CG2-CD2 4.46Å; T512-L947 WeakPolarHBondContact O-CB 3.08Å; T512-P948 VanDerWaalsContact O-CD 3.25Å; T512-P948 WeakPolarHBondContact O-CD 3.31Å; T512-G959 PolarHBondContact N-O 3.12Å; T512-G959 WeakPolarHBondContact OG1-CA 3.29Å; T512-G959 PolarHBondContact OG1-O 3.02Å; T512-G959 VanDerWaalsContact OG1-O 3.1Å
513	S	97.8	Very high	97.5	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.028	19%	0.194	C	C	.	.	S	Bend	trans	-102	102.5	166.5	-61.4	0	0	0	0	109.3	L511 P515 D955	L511-S513 PolarHBondContact O-N 3.25Å; S513-P515 WeakPolarHBondContact O-CD 3.48Å; S513-D955 WeakPolarHBondContact CB-O 3.49Å; S513-D955 PolarHBondContact OG-O 2.9Å
514	I	98.6	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.1	-173.6	-63.4	-67.2	0	0	0	110.2	L511 Q516 L528 L917 A923 F925 L947 P948 V949 V950	L511-I514 WeakPolarHBondContact O-CD1 3.26Å; I514-Q516 PolarHBondContact O-N 2.93Å; I514-L528 HydrophobicContact CD1-CD1 3.65Å; I514-L917 HydrophobicContact CG2-CD1 3.67Å; I514-A923 HydrophobicContact CB-CB 4.25Å; I514-A923 HydrophobicContact CG1-CB 4.03Å; I514-A923 HydrophobicContact CG2-CB 4.18Å; I514-F925 HydrophobicContact CD1-CE2 4.06Å; I514-F925 HydrophobicContact CD1-CZ 4Å; I514-F925 HydrophobicContact CG1-CE2 4.39Å; I514-L947 HydrophobicContact CD1-CD1 3.83Å; I514-L947 HydrophobicContact CG1-CB 3.86Å; I514-L947 HydrophobicContact CG1-CD1 3.97Å; I514-P948 WeakPolarHBondContact CB-O 3.26Å; I514-P948 PolarHBondContact N-O 2.67Å; I514-V949 HydrophobicContact CB-CG2 4.47Å; I514-V949 CarbonylContact O-C 3.59Å; I514-V949 WeakPolarHBondContact O-CA 3.3Å; I514-V950 PolarHBondContact O-N 3.34Å
515	P	98.4	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	132.7	174.9	-23.4	33.9	0	0	0	111.7	L511 S513 T517 L520 L521 I913 V956	L511-P515 HydrophobicContact CD1-CG 4Å; S513-P515 WeakPolarHBondContact O-CD 3.48Å; P515-T517 PolarHBondContact O-N 3.38Å; P515-L520 HydrophobicContact CB-CB 4.16Å; P515-L520 HydrophobicContact CB-CD2 4.02Å; P515-L520 HydrophobicContact CB-CG 4.04Å; P515-L521 HydrophobicContact CB-CB 4.08Å; P515-L521 HydrophobicContact CG-CB 4.09Å; P515-L521 HydrophobicContact CG-CD1 4.16Å; P515-I913 HydrophobicContact CB-CD1 4.12Å; P515-I913 VanDerWaalsContact O-CD1 3.27Å; P515-I913 WeakPolarHBondContact O-CD1 3.43Å; P515-V956 HydrophobicContact CB-CG2 4.27Å; P515-V956 HydrophobicContact CG-CG1 4.02Å; P515-V956 HydrophobicContact CG-CG2 3.87Å
516	Q	98.4	Very high	97.9	Very high	57 Å²	57	31.1 Å²	31.1	27%	0.266	16%	0.157	S	C	.	.	S	Bend	trans	-63.2	-24.2	180	-173.9	-179.7	72.1	0	0	113.6	I514 L917 A918 V949 V950	I514-Q516 PolarHBondContact O-N 2.93Å; Q516-L917 PolarHBondContact O-N 3.23Å; Q516-A918 HydrophobicContact CG-CB 4.26Å; Q516-V949 HydrophobicContact CB-CG1 3.87Å; Q516-V949 HydrophobicContact CG-CG1 4.14Å; Q516-V950 WeakPolarHBondContact CB-O 3.37Å; Q516-V950 PolarHBondContact N-O 2.96Å
517	T	98.4	Very high	98	Very high	41 Å²	41	31.8 Å²	31.8	25%	0.252	16%	0.162	S	C	.	.	S	Bend	trans	-143.1	154.5	-177.8	64.2	0	0	0	0	112.2	P515 A519 L520 L521	P515-T517 PolarHBondContact O-N 3.38Å; T517-A519 PolarHBondContact O-N 3.42Å; T517-L520 PolarHBondContact O-N 3.14Å; T517-L520 VanDerWaalsContact O-N 3.11Å; T517-L520 PolarHBondContact OG1-N 2.95Å; T517-L521 PolarHBondContact O-N 3.33Å; T517-L521 VanDerWaalsContact O-N 3.09Å
518	Q	98	Very high	98	Very high	58 Å²	58	31.9 Å²	31.9	27%	0.271	16%	0.162	S	C	.	.	H	α-helix	trans	-59.2	-30.2	171	-168	59	50.2	0	0	112.4	L521 N522 I913	Q518-L521 PolarHBondContact O-N 3.35Å; Q518-N522 PolarHBondContact NE2-OD1 3.09Å; Q518-N522 VanDerWaalsContact O-CB 3.29Å; Q518-N522 WeakPolarHBondContact O-CB 3.42Å; Q518-N522 PolarHBondContact O-N 3.06Å; Q518-N522 PolarHBondContact O-ND2 2.97Å; Q518-N522 PolarHBondContact O-OD1 2.9Å; Q518-I913 HydrophobicContact CB-CB 4.1Å; Q518-I913 WeakPolarHBondContact CB-O 3.49Å; Q518-I913 PolarHBondContact OE1-O 2.86Å
519	A	98.2	Very high	98.2	Very high	72 Å²	72	30.5 Å²	30.5	60%	0.595	16%	0.157	S	C	*	.	H	α-helix	trans	-64.6	-40.6	175	0	0	0	0	0	112.2	T517 K523	T517-A519 PolarHBondContact O-N 3.42Å; A519-K523 WeakPolarHBondContact O-CB 3.33Å; A519-K523 PolarHBondContact O-N 3.3Å
520	L	98	Very high	98.2	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.099	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-41.7	174.5	-178.4	61.3	0	0	0	111.7	P515 T517 K523 A524 V950 S951 L953 V956	P515-L520 HydrophobicContact CB-CB 4.16Å; P515-L520 HydrophobicContact CB-CD2 4.02Å; P515-L520 HydrophobicContact CB-CG 4.04Å; T517-L520 PolarHBondContact O-N 3.14Å; T517-L520 VanDerWaalsContact O-N 3.11Å; T517-L520 PolarHBondContact OG1-N 2.95Å; L520-K523 PolarHBondContact O-N 3.42Å; L520-A524 PolarHBondContact O-N 3.14Å; L520-V950 WeakPolarHBondContact CD2-O 3.39Å; L520-S951 WeakPolarHBondContact CD2-O 3.48Å; L520-L953 HydrophobicContact CD1-CB 4.08Å; L520-L953 HydrophobicContact CD1-CD1 4.38Å; L520-V956 HydrophobicContact CD2-CG2 4.14Å; L520-V956 HydrophobicContact CG-CG2 4.34Å
521	L	98.2	Very high	98.2	Very high	9 Å²	9	31 Å²	31	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-47	174.5	178	56.5	0	0	0	111.8	L511 P515 T517 Q518 K523 A524 R525 L526 L528 I913	L511-L521 HydrophobicContact CD1-CD1 3.86Å; P515-L521 HydrophobicContact CB-CB 4.08Å; P515-L521 HydrophobicContact CG-CB 4.09Å; P515-L521 HydrophobicContact CG-CD1 4.16Å; T517-L521 PolarHBondContact O-N 3.33Å; T517-L521 VanDerWaalsContact O-N 3.09Å; Q518-L521 PolarHBondContact O-N 3.35Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 2.7Å; L521-A524 PolarHBondContact O-N 2.8Å; L521-A524 VanDerWaalsContact O-N 3.1Å; L521-R525 PolarHBondContact O-N 3.14Å; L521-L526 WeakPolarHBondContact CD1-O 3.35Å; L521-L528 HydrophobicContact CD1-CB 3.91Å; L521-L528 HydrophobicContact CD2-CB 3.66Å; L521-L528 HydrophobicContact CD2-CD2 4.14Å; L521-L528 HydrophobicContact CG-CB 4.47Å; L521-I913 HydrophobicContact CB-CD1 4.08Å; L521-I913 HydrophobicContact CD2-CD1 3.87Å; L521-I913 HydrophobicContact CD2-CG1 4.37Å
522	N	97.9	Very high	98.1	Very high	93 Å²	93	31.3 Å²	31.3	50%	0.497	16%	0.161	S	C	.	.	H	α-helix	trans	-62.1	-34.9	175.3	-70.7	-5.5	0	0	0	112.3	Q518 R525	Q518-N522 PolarHBondContact NE2-OD1 3.09Å; Q518-N522 VanDerWaalsContact O-CB 3.29Å; Q518-N522 WeakPolarHBondContact O-CB 3.42Å; Q518-N522 PolarHBondContact O-N 3.06Å; Q518-N522 PolarHBondContact O-ND2 2.97Å; Q518-N522 PolarHBondContact O-OD1 2.9Å; N522-R525 WeakPolarHBondContact O-CD 3.5Å; N522-R525 PolarHBondContact O-NE 2.92Å
523	K	97.3	Very high	98.1	Very high	108 Å²	108	32.1 Å²	32.1	47%	0.47	16%	0.164	S	C	.	.	H	α-helix	trans	-70	-33.6	174.1	-169.9	-179.2	177.9	-175.8	0	112.1	A519 L520 L521 R525 L953 A999 S1003	A519-K523 WeakPolarHBondContact O-CB 3.33Å; A519-K523 PolarHBondContact O-N 3.3Å; L520-K523 PolarHBondContact O-N 3.42Å; L521-K523 VanDerWaalsContact C-N 3.29Å; L521-K523 PolarHBondContact O-N 2.7Å; K523-R525 VanDerWaalsContact C-N 3.34Å; K523-L953 HydrophobicContact CD-CD2 4.19Å; K523-L953 HydrophobicContact CG-CD2 4.17Å; K523-A999 WeakPolarHBondContact O-CB 3.26Å; K523-S1003 WeakPolarHBondContact CE-OG 3.44Å; K523-S1003 PolarHBondContact NZ-OG 3.49Å
524	A	97.1	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-73	-22.5	179.8	0	0	0	0	0	114.4	L520 L521 L526 L953 V956 Y957	L520-A524 PolarHBondContact O-N 3.14Å; L521-A524 PolarHBondContact O-N 2.8Å; L521-A524 VanDerWaalsContact O-N 3.1Å; A524-L526 PolarHBondContact O-N 3.44Å; A524-L526 VanDerWaalsContact O-N 3.1Å; A524-L953 HydrophobicContact CB-CD1 3.46Å; A524-L953 VanDerWaalsContact CB-CD1 3.46Å; A524-V956 HydrophobicContact CB-CG1 3.97Å; A524-Y957 HydrophobicContact CB-CE1 4.19Å; A524-Y957 WeakPolarHBondContact O-CE1 3.49Å; A524-Y957 PolarHBondContact O-OH 3.4Å
525	R	97.6	Very high	98	Very high	137 Å²	137	32.1 Å²	32.1	52%	0.517	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	24.9	-179.2	-60.7	-67.5	175	137.2	-3.8	114.3	L521 N522 K523 D995 A999	L521-R525 PolarHBondContact O-N 3.14Å; N522-R525 WeakPolarHBondContact O-CD 3.5Å; N522-R525 PolarHBondContact O-NE 2.92Å; K523-R525 VanDerWaalsContact C-N 3.34Å; R525-D995 HydrophobicContact CB-CB 3.9Å; R525-D995 HydrophobicContact CG-CB 3.89Å; R525-D995 IonicContact CZ-OD2 3.64Å; R525-D995 IonicContact NE-OD2 3.93Å; R525-D995 IonicContact NH1-OD2 2.68Å; R525-D995 PolarHBondContact NH1-OD2 3.15Å; R525-A999 HydrophobicContact CB-CB 4.37Å; R525-A999 HydrophobicContact CG-CB 4.01Å
526	L	98.1	Very high	97.9	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	17%	0.174	C	C	.	.			trans	-110.1	142.4	171.9	-63.1	-177.4	0	0	0	110	L511 L521 A524 Y957 A960 I965 F996 M1018	L511-L526 HydrophobicContact CD2-CB 4.14Å; L511-L526 HydrophobicContact CD2-CD1 3.87Å; L521-L526 WeakPolarHBondContact CD1-O 3.35Å; A524-L526 PolarHBondContact O-N 3.44Å; A524-L526 VanDerWaalsContact O-N 3.1Å; L526-Y957 HydrophobicContact CD1-CD1 3.82Å; L526-Y957 HydrophobicContact CD1-CE1 4.03Å; L526-Y957 HydrophobicContact CG-CE1 4.34Å; L526-A960 HydrophobicContact CD1-CB 3.97Å; L526-I965 HydrophobicContact CD1-CD1 4.08Å; L526-I965 HydrophobicContact CD2-CD1 4.35Å; L526-F996 HydrophobicContact CD1-CD2 4.37Å; L526-F996 HydrophobicContact CD1-CE2 4.28Å; L526-F996 HydrophobicContact CD2-CB 4.31Å; L526-F996 HydrophobicContact CD2-CD2 3.55Å; L526-F996 HydrophobicContact CD2-CE2 4.12Å; L526-F996 HydrophobicContact CD2-CG 4.03Å; L526-F996 HydrophobicContact CG-CD2 4.03Å; L526-F996 HydrophobicContact CG-CE2 4.44Å; L526-M1018 HydrophobicContact CD1-CE 4.32Å; L526-M1018 HydrophobicContact CD2-CE 3.69Å
527	P	98.1	Very high	97.6	Very high	20 Å²	20	35.1 Å²	35.1	13%	0.13	18%	0.178	C	C	.	.			trans	-78.4	129.7	179.3	32.6	-34.5	0	0	0	110.5	T510 I965 L968 L969	T510-P527 VanDerWaalsContact CB-O 3.3Å; T510-P527 WeakPolarHBondContact CB-O 3.2Å; T510-P527 PolarHBondContact OG1-O 3.37Å; P527-I965 HydrophobicContact CG-CG2 4.16Å; P527-L968 HydrophobicContact CB-CD2 3.94Å; P527-L968 HydrophobicContact CG-CD2 4.24Å; P527-L969 HydrophobicContact CG-CD1 4.5Å; P527-L969 HydrophobicContact CG-CD2 4.04Å; P527-L969 HydrophobicContact CG-CG 4.02Å
528	L	98.8	Very high	97.2	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.181	C	C	.	.			trans	-82.7	129.1	169.5	-175.5	67.9	0	0	0	109.9	T510 L511 I514 L521 L879 M911 I913	T510-L528 WeakPolarHBondContact OG1-CA 3.21Å; L511-L528 HydrophobicContact CB-CD1 4.08Å; L511-L528 HydrophobicContact CD1-CB 4.45Å; L511-L528 HydrophobicContact CD1-CD1 4.01Å; L511-L528 HydrophobicContact CG-CD1 4.35Å; I514-L528 HydrophobicContact CD1-CD1 3.65Å; L521-L528 HydrophobicContact CD1-CB 3.91Å; L521-L528 HydrophobicContact CD2-CB 3.66Å; L521-L528 HydrophobicContact CD2-CD2 4.14Å; L521-L528 HydrophobicContact CG-CB 4.47Å; L528-L879 HydrophobicContact CD2-CD2 3.91Å; L528-M911 HydrophobicContact CD2-CB 4.07Å; L528-M911 HydrophobicContact CG-CB 4.03Å; L528-M911 PolarHBondContact O-N 3.3Å; L528-I913 HydrophobicContact CD2-CD1 4.36Å; L528-I913 HydrophobicContact CD2-CG1 4.13Å
529	G	98.6	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	177	176.5	0	0	0	0	0	114.4	C509 T510 V909	C509-G529 CarbonylContact C-O 3.48Å; C509-G529 VanDerWaalsContact CA-O 3.27Å; C509-G529 WeakPolarHBondContact CA-O 3.49Å; C509-G529 PolarHBondContact SG-O 3.37Å; T510-G529 PolarHBondContact N-O 2.98Å; T510-G529 PolarHBondContact OG1-N 2.95Å; T510-G529 PolarHBondContact OG1-O 3.18Å; G529-V909 CarbonylContact C-O 3.59Å; G529-V909 WeakPolarHBondContact CA-O 3.23Å
530	L	98.7	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.8	-172.4	-58.5	170.5	0	0	0	110.6	F507 R508 C509 L532 I873 A908 V909 M911 F925	F507-L530 HydrophobicContact CE2-CB 4.1Å; F507-L530 HydrophobicContact CE2-CD1 4.06Å; F507-L530 HydrophobicContact CE2-CD2 3.99Å; F507-L530 HydrophobicContact CE2-CG 4.27Å; F507-L530 HydrophobicContact CZ-CD1 4.34Å; R508-L530 WeakPolarHBondContact O-CA 3.3Å; C509-L530 HydrophobicContact CB-CD2 3.93Å; L530-L532 HydrophobicContact CB-CD1 4.01Å; L530-I873 HydrophobicContact CD1-CG2 4.24Å; L530-A908 CarbonylContact O-C 3.51Å; L530-A908 WeakPolarHBondContact O-CA 3.32Å; L530-V909 HydrophobicContact CB-CB 4.27Å; L530-V909 PolarHBondContact N-O 2.96Å; L530-V909 PolarHBondContact O-N 2.86Å; L530-M911 HydrophobicContact CD1-CE 4.33Å; L530-M911 HydrophobicContact CD1-CG 4.06Å; L530-M911 HydrophobicContact CD1-SD 3.82Å; L530-M911 HydrophobicContact CG-CG 3.95Å; L530-M911 HydrophobicContact CG-SD 4.35Å; L530-F925 HydrophobicContact CD1-CB 4.45Å; L530-F925 HydrophobicContact CD1-CD1 3.65Å; L530-F925 HydrophobicContact CD1-CE1 4.19Å; L530-F925 HydrophobicContact CD1-CG 4.24Å; L530-F925 HydrophobicContact CD2-CD1 3.94Å; L530-F925 HydrophobicContact CD2-CD2 4.31Å; L530-F925 HydrophobicContact CD2-CE1 4.13Å; L530-F925 HydrophobicContact CD2-CG 4.02Å; L530-F925 HydrophobicContact CD2-CZ 4.41Å; L530-F925 HydrophobicContact CG-CD1 4.32Å
531	L	98.6	Very high	95.8	Very high	15 Å²	15	49 Å²	49	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129	172.3	-71.5	74.7	0	0	0	108.7	F507 R508 T510 A908 A964 C967 L1057	F507-L531 WeakPolarHBondContact CA-O 3.39Å; R508-L531 PolarHBondContact N-O 3.13Å; R508-L531 PolarHBondContact O-N 3.29Å; T510-L531 HydrophobicContact CG2-CD1 4.26Å; L531-A908 HydrophobicContact CG-CB 4.47Å; L531-A964 HydrophobicContact CD1-CB 3.82Å; L531-A964 HydrophobicContact CD2-CB 4.24Å; L531-C967 HydrophobicContact CD2-CB 3.8Å; L531-C967 VanDerWaalsContact CD2-SG 3.58Å; L531-L1057 HydrophobicContact CD2-CB 4.16Å; L531-L1057 HydrophobicContact CD2-CD1 3.92Å; L531-L1057 HydrophobicContact CD2-CD2 4.05Å; L531-L1057 HydrophobicContact CD2-CG 4.27Å
532	L	97.4	Very high	95.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.8	-171.6	-54.9	96.6	0	0	0	111.1	T506 F507 L530 P534 I873 A906 F907 V909 A927	T506-L532 WeakPolarHBondContact O-CA 3.43Å; F507-L532 HydrophobicContact CD2-CD2 3.85Å; F507-L532 HydrophobicContact CD2-CG 3.72Å; F507-L532 HydrophobicContact CE1-CD2 4.43Å; F507-L532 HydrophobicContact CE2-CD1 4.27Å; F507-L532 HydrophobicContact CE2-CD2 3.52Å; F507-L532 HydrophobicContact CE2-CG 3.68Å; F507-L532 HydrophobicContact CG-CD2 4.42Å; F507-L532 HydrophobicContact CZ-CD2 3.84Å; F507-L532 HydrophobicContact CZ-CG 4.49Å; L530-L532 HydrophobicContact CB-CD1 4.01Å; L532-P534 VanDerWaalsContact C-CD 3.42Å; L532-P534 WeakPolarHBondContact O-CD 3.36Å; L532-I873 HydrophobicContact CD1-CD1 3.79Å; L532-I873 HydrophobicContact CD2-CD1 3.71Å; L532-I873 HydrophobicContact CD2-CG1 4.31Å; L532-I873 HydrophobicContact CG-CD1 4.44Å; L532-A906 CarbonylContact O-C 3.5Å; L532-A906 WeakPolarHBondContact O-CA 3.45Å; L532-A906 VanDerWaalsContact O-CB 3.31Å; L532-A906 WeakPolarHBondContact O-CB 3.45Å; L532-F907 PolarHBondContact N-O 3.23Å; L532-F907 PolarHBondContact O-N 3.11Å; L532-V909 HydrophobicContact CD1-CG2 3.73Å; L532-A927 HydrophobicContact CD2-CB 3.51Å
533	H	97.5	Very high	95.4	Very high	27 Å²	27	49.6 Å²	49.6	13%	0.125	24%	0.238	C	C	.	.			trans	-120.4	61.7	171.3	-170	-163.5	0	0	0	109.2	T506 F535 R536 P903 S905 A906 P1056	T506-H533 PolarHBondContact O-N 2.76Å; H533-F535 PolarHBondContact O-N 2.91Å; H533-R536 WeakPolarHBondContact O-CB 3.28Å; H533-R536 WeakPolarHBondContact O-CG 3.35Å; H533-R536 PolarHBondContact O-N 3.42Å; H533-P903 PolarHBondContact NE2-O 2.88Å; H533-S905 PolarHBondContact CD2-O 3.37Å; H533-A906 HydrophobicContact CB-CB 4.38Å; H533-P1056 VanDerWaalsContact CE1-CG 3.45Å; H533-P1056 WeakPolarHBondContact CE1-CG 3.37Å; H533-P1056 WeakPolarHBondContact NE2-CG 3.36Å
534	P	97	Very high	95.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-35.3	-155.4	28	-36.9	0	0	0	113.5	L532 M871 F907 L929 R941 H943	L532-P534 VanDerWaalsContact C-CD 3.42Å; L532-P534 WeakPolarHBondContact O-CD 3.36Å; P534-M871 HydrophobicContact CB-SD 4.02Å; P534-M871 HydrophobicContact CG-CE 4.45Å; P534-M871 HydrophobicContact CG-SD 3.8Å; P534-F907 HydrophobicContact CG-CD2 3.97Å; P534-F907 HydrophobicContact CG-CE2 3.87Å; P534-L929 HydrophobicContact CB-CD2 4.45Å; P534-R941 WeakPolarHBondContact O-CD 3.18Å; P534-R941 PolarHBondContact O-NH1 3.14Å; P534-H943 PolarHBondContact O-NE2 3.09Å
535	F	97.8	Very high	94.8	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.013	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	13.2	-175.9	-159.2	-128.2	0	0	0	113.9	H533 K864 V901 P903 L929 Y931	H533-F535 PolarHBondContact O-N 2.91Å; F535-K864 HydrophobicContact CD1-CD 4.49Å; F535-K864 HydrophobicContact CD1-CG 4.5Å; F535-K864 HydrophobicContact CE1-CD 3.79Å; F535-K864 VanDerWaalsContact CE1-CE 3.48Å; F535-K864 HydrophobicContact CE1-CG 3.79Å; F535-K864 HydrophobicContact CE2-CD 4.18Å; F535-K864 HydrophobicContact CZ-CD 3.61Å; F535-K864 HydrophobicContact CZ-CG 4.09Å; F535-K864 WeakPolarHBondContact O-CE 3.21Å; F535-K864 PolarHBondContact O-NZ 3.24Å; F535-V901 HydrophobicContact CB-CG2 3.71Å; F535-V901 HydrophobicContact CD1-CG1 4.07Å; F535-V901 HydrophobicContact CD1-CG2 4.19Å; F535-V901 HydrophobicContact CE1-CG1 4.33Å; F535-V901 HydrophobicContact CG-CG1 4.25Å; F535-V901 HydrophobicContact CG-CG2 4.1Å; F535-P903 VanDerWaalsContact O-CA 3.29Å; F535-P903 WeakPolarHBondContact O-CA 3.4Å; F535-P903 WeakPolarHBondContact O-CB 3.5Å; F535-L929 HydrophobicContact CB-CD2 3.96Å; F535-L929 HydrophobicContact CD2-CD2 3.93Å; F535-L929 HydrophobicContact CG-CD2 4.21Å; F535-Y931 HydrophobicContact CE2-CD2 4.34Å; F535-Y931 HydrophobicContact CE2-CE1 4Å; F535-Y931 AromaticContact CE2-CE2 3.7Å; F535-Y931 HydrophobicContact CE2-CE2 3.7Å; F535-Y931 AromaticContact CE2-CZ 3.51Å; F535-Y931 HydrophobicContact CZ-CD2 4.38Å; F535-Y931 AromaticContact CZ-CE2 3.81Å; F535-Y931 HydrophobicContact CZ-CE2 3.81Å
536	R	95.4	Very high	94.2	Very high	55 Å²	55	43.8 Å²	43.8	21%	0.208	23%	0.227	C	C	.	.			trans	-52.2	160.3	-178.3	71	163.8	-74.8	157.7	-9.6	114.6	Q505 H533 L538 K864 P903 R941	Q505-R536 VanDerWaalsContact O-CD 3.28Å; Q505-R536 WeakPolarHBondContact O-CD 3.27Å; Q505-R536 PolarHBondContact O-NH1 3.19Å; Q505-R536 VanDerWaalsContact OE1-NH2 3.16Å; H533-R536 WeakPolarHBondContact O-CB 3.28Å; H533-R536 WeakPolarHBondContact O-CG 3.35Å; H533-R536 PolarHBondContact O-N 3.42Å; R536-L538 HydrophobicContact CG-CD2 3.9Å; R536-L538 HydrophobicContact CG-CG 4.12Å; R536-K864 VanDerWaalsContact C-NZ 3.25Å; R536-K864 PolarHBondContact O-NZ 3.44Å; R536-P903 WeakPolarHBondContact CA-O 3.29Å; R536-R941 PolarHBondContact O-NH1 3.49Å; R536-R941 VanDerWaalsContact O-NH1 3.16Å
537	D	92.9	Very high	93.4	Very high	65 Å²	65	50.1 Å²	50.1	35%	0.348	26%	0.261	S	S	.	.			trans	-71.4	136.9	169.7	-65.3	-36.2	0	0	0	110.2	R859 K864	D537-R859 IonicContact OD2-CZ 2.66Å; D537-R859 IonicContact OD2-NH1 3.45Å; D537-R859 PolarHBondContact OD2-NH1 3.12Å; D537-R859 IonicContact OD2-NH2 3.6Å; D537-R859 PolarHBondContact OD2-NH2 3.09Å; D537-K864 IonicContact OD1-NZ 2.7Å; D537-K864 PolarHBondContact OD1-NZ 3.36Å
538	L	90.4	Very high	92.9	Very high	60 Å²	60	52 Å²	52	31%	0.314	27%	0.272	S	S	.	.			trans	-140	129.8	-174.4	-65.6	174.7	0	0	0	107.5	R536 Q540 L541 T608	R536-L538 HydrophobicContact CG-CD2 3.9Å; R536-L538 HydrophobicContact CG-CG 4.12Å; L538-Q540 VanDerWaalsContact C-N 3.3Å; L538-L541 HydrophobicContact CD1-CD1 4.17Å; L538-L541 HydrophobicContact CD1-CD2 4.46Å; L538-T608 HydrophobicContact CD1-CG2 4.1Å
539	Q	83.9	Confident	92.7	Very high	206 Å²	206	52.5 Å²	52.5	96%	0.963	28%	0.275	S	S	*	.	S	Bend	trans	-69.4	-30.5	178	-66.7	177.7	-8.7	0	0	112.2
540	Q	87.3	Confident	92.6	Very high	178 Å²	178	52.9 Å²	52.9	83%	0.832	28%	0.277	S	S	*	.			trans	-135	136.8	177.5	-61.1	-176.1	7	0	0	109.4	L538	L538-Q540 VanDerWaalsContact C-N 3.3Å
541	L	92.8	Very high	92.6	Very high	37 Å²	37	57.1 Å²	57.1	19%	0.194	29%	0.293	C	S	.	.			trans	-154	115.9	178.2	176.3	60.1	0	0	0	108.3	L538 V543 T608 E610 R941	L538-L541 HydrophobicContact CD1-CD1 4.17Å; L538-L541 HydrophobicContact CD1-CD2 4.46Å; L541-V543 PolarHBondContact O-N 2.69Å; L541-T608 HydrophobicContact CD1-CG2 3.69Å; L541-E610 HydrophobicContact CD1-CB 4.28Å; L541-E610 HydrophobicContact CD2-CB 3.87Å; L541-E610 HydrophobicContact CD2-CG 4.48Å; L541-E610 WeakPolarHBondContact CD2-OE2 3.38Å; L541-E610 HydrophobicContact CG-CB 4.03Å; L541-R941 VanDerWaalsContact CD2-NH2 3.31Å
542	P	93.4	Very high	92.6	Very high	41 Å²	41	56.4 Å²	56.4	27%	0.266	29%	0.289	S	S	.	.			trans	-63.2	108.7	176.7	-22.2	33	0	0	0	110.9	N606 T608 V609 E610	P542-N606 HydrophobicContact CG-CB 4.21Å; P542-T608 WeakPolarHBondContact CD-O 3.16Å; P542-V609 HydrophobicContact CB-CG1 4.25Å; P542-V609 HydrophobicContact CG-CG1 4.46Å; P542-E610 PolarHBondContact O-N 3.02Å
543	V	94.6	Very high	92.6	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.448	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.2	173.9	-179	0	0	0	0	109.1	L541 E610 I612	L541-V543 PolarHBondContact O-N 2.69Å; V543-E610 CarbonylContact C-O 3.43Å; V543-E610 VanDerWaalsContact CA-O 3.26Å; V543-E610 WeakPolarHBondContact CA-O 3.44Å; V543-I612 HydrophobicContact CG1-CD1 4.37Å; V543-I612 HydrophobicContact CG1-CG1 4.09Å
544	I	92.8	Very high	92.7	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.7	-168.7	-56.3	179.7	0	0	0	109.5	P602 E603 V609 E610 F611 I612	I544-P602 HydrophobicContact CD1-CB 3.84Å; I544-P602 HydrophobicContact CG1-CB 4.24Å; I544-E603 HydrophobicContact CD1-CG 3.64Å; I544-V609 HydrophobicContact CD1-CB 3.8Å; I544-V609 HydrophobicContact CD1-CG1 3.9Å; I544-V609 HydrophobicContact CD1-CG2 4.25Å; I544-E610 PolarHBondContact N-O 2.96Å; I544-F611 HydrophobicContact CB-CD1 3.89Å; I544-F611 HydrophobicContact CB-CE1 4.21Å; I544-F611 HydrophobicContact CD1-CE1 4.09Å; I544-F611 HydrophobicContact CD1-CZ 4.4Å; I544-F611 HydrophobicContact CG2-CD1 3.88Å; I544-F611 HydrophobicContact CG2-CE1 3.98Å; I544-F611 WeakPolarHBondContact O-CA 3.48Å; I544-I612 PolarHBondContact O-N 3.32Å
545	T	89.8	Confident	92.7	Very high	96 Å²	96	66.3 Å²	66.3	59%	0.589	34%	0.338	S	S	*	.			trans	-119.1	117.3	173.8	-49	0	0	0	0	107.9	I612	T545-I612 WeakPolarHBondContact OG1-CD1 3.25Å
546	S	84.4	Confident	92.7	Very high	19 Å²	19	72.6 Å²	72.6	13%	0.133	36%	0.362	C	S	.	.			trans	-155.5	138.2	-173.4	-168.9	0	0	0	0	106	T548 R601	S546-T548 WeakPolarHBondContact CB-O 3.25Å; S546-T548 PolarHBondContact OG-O 3.11Å; S546-R601 PolarHBondContact OG-NH2 2.73Å; S546-R601 VanDerWaalsContact OG-NH2 3.1Å
547	N	82.3	Confident	92.8	Very high	140 Å²	140	70 Å²	70	75%	0.749	35%	0.352	S	S	*	.	S	Bend	trans	-70.5	-44.8	-179.3	-55.8	-77.7	0	0	0	109.5	E585	N547-E585 WeakPolarHBondContact CB-OE1 3.15Å; N547-E585 PolarHBondContact N-OE1 3.2Å; N547-E585 PolarHBondContact ND2-OE1 3.49Å
548	T	87.3	Confident	93.1	Very high	59 Å²	59	67.5 Å²	67.5	36%	0.362	34%	0.338	S	S	.	.	S	Bend	trans	-87.8	123.2	170.7	-45.6	0	0	0	0	110.6	S546 V550 P583 E585	S546-T548 WeakPolarHBondContact CB-O 3.25Å; S546-T548 PolarHBondContact OG-O 3.11Å; T548-V550 HydrophobicContact CG2-CG2 4.36Å; T548-P583 HydrophobicContact CG2-CB 4.5Å; T548-P583 HydrophobicContact CG2-CG 4.16Å; T548-E585 WeakPolarHBondContact CB-OE2 3.28Å; T548-E585 PolarHBondContact N-OE2 3.01Å; T548-E585 PolarHBondContact OG1-OE2 3.49Å
549	I	94.9	Very high	93.5	Very high	15 Å²	15	64.8 Å²	64.8	8%	0.077	32%	0.324	C	S	.	.			trans	-98.3	104.8	166.5	-58.8	177.7	0	0	0	108.5	R551 Y558 F611 Y617 I940	I549-R551 PolarHBondContact O-N 3.21Å; I549-Y558 HydrophobicContact CG2-CD1 3.71Å; I549-Y558 HydrophobicContact CG2-CE1 3.76Å; I549-F611 HydrophobicContact CD1-CB 3.85Å; I549-F611 HydrophobicContact CD1-CD1 4.4Å; I549-F611 HydrophobicContact CD1-CG 4.25Å; I549-F611 HydrophobicContact CG1-CD1 4.21Å; I549-F611 HydrophobicContact CG2-CD1 4.03Å; I549-F611 HydrophobicContact CG2-CD2 4.45Å; I549-F611 HydrophobicContact CG2-CE1 4.11Å; I549-F611 HydrophobicContact CG2-CG 4.21Å; I549-F611 HydrophobicContact CG2-CZ 4.37Å; I549-Y617 HydrophobicContact CD1-CE2 4.08Å; I549-I940 HydrophobicContact CD1-CD1 3.87Å
550	V	96.4	Very high	94.2	Very high	7 Å²	7	55 Å²	55	4%	0.042	28%	0.278	C	S	.	.			trans	-69.7	123.2	-171.3	-177.6	0	0	0	0	111.6	T548 I559 W571 P583 F586	T548-V550 HydrophobicContact CG2-CG2 4.36Å; V550-I559 HydrophobicContact CB-CB 4.27Å; V550-I559 HydrophobicContact CB-CG2 3.91Å; V550-I559 HydrophobicContact CG1-CB 4.11Å; V550-I559 HydrophobicContact CG1-CD1 4.02Å; V550-I559 HydrophobicContact CG1-CG2 4.26Å; V550-I559 PolarHBondContact O-N 3.23Å; V550-W571 HydrophobicContact CG1-CZ2 3.75Å; V550-P583 HydrophobicContact CG2-CG 4.06Å; V550-F586 HydrophobicContact CB-CD2 4.21Å; V550-F586 HydrophobicContact CB-CE2 4.32Å; V550-F586 HydrophobicContact CG2-CB 4.1Å; V550-F586 HydrophobicContact CG2-CD2 3.4Å; V550-F586 VanDerWaalsContact CG2-CD2 3.4Å; V550-F586 HydrophobicContact CG2-CE2 3.99Å; V550-F586 HydrophobicContact CG2-CG 3.88Å
551	R	97.6	Very high	94.7	Very high	89 Å²	89	47.3 Å²	47.3	34%	0.336	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-135.7	151.6	179.2	-69.2	-178.4	-72.8	172.6	-3.6	110.6	I549 R553 T557 Y558 Y617	I549-R551 PolarHBondContact O-N 3.21Å; R551-R553 PolarHBondContact O-N 2.86Å; R551-T557 CarbonylContact C-O 3.54Å; R551-T557 WeakPolarHBondContact CA-O 3.21Å; R551-Y558 HydrophobicContact CG-CD1 3.66Å; R551-Y558 HydrophobicContact CG-CE1 3.9Å; R551-Y558 HydrophobicContact CG-CG 4.09Å; R551-Y617 PolarHBondContact NE-OH 3.33Å; R551-Y617 VanDerWaalsContact NE-OH 3.12Å; R551-Y617 PolarHBondContact NH2-OH 2.9Å
552	C	98.6	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.			trans	-62.6	132.9	173	174.6	0	0	0	0	110.3	S554 C555 R556 T557 W571 C573 N580	C552-S554 PolarHBondContact O-N 3.13Å; C552-C555 VanDerWaalsContact SG-SG 3.7Å; C552-R556 VanDerWaalsContact O-CA 3.23Å; C552-R556 WeakPolarHBondContact O-CA 3.3Å; C552-R556 PolarHBondContact O-N 3.42Å; C552-T557 PolarHBondContact N-O 3.26Å; C552-W571 HydrophobicContact CB-CH2 3.87Å; C552-W571 HydrophobicContact CB-CZ3 4.49Å; C552-C573 HydrophobicContact CB-CB 3.95Å; C552-N580 WeakPolarHBondContact CA-OD1 3.38Å; C552-N580 PolarHBondContact SG-OD1 3Å
553	R	98	Very high	95.2	Very high	151 Å²	151	45.1 Å²	45.1	57%	0.57	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.3	-176.1	64.2	-169.7	164.2	151.3	-7.4	114.1	R551 R556 V579 N580	R551-R553 PolarHBondContact O-N 2.86Å; R553-R556 PolarHBondContact O-NE 3.29Å; R553-V579 PolarHBondContact NE-O 2.98Å; R553-V579 VanDerWaalsContact NE-O 3.08Å; R553-V579 PolarHBondContact NH2-O 3.07Å; R553-N580 WeakPolarHBondContact CG-OD1 3.49Å; R553-N580 PolarHBondContact N-OD1 3.49Å
554	S	98.2	Very high	95.2	Very high	48 Å²	48	45.3 Å²	45.3	34%	0.336	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-74.4	179.3	-57	0	0	0	0	112.6	C552 R556 R578	C552-S554 PolarHBondContact O-N 3.13Å; S554-R556 VanDerWaalsContact C-N 3.28Å; S554-R556 PolarHBondContact O-N 2.86Å; S554-R578 WeakPolarHBondContact OG-CD 3.19Å; S554-R578 PolarHBondContact OG-NE 3.48Å
555	C	97.6	Very high	95.4	Very high	42 Å²	42	47.4 Å²	47.4	28%	0.284	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	-174.2	62.9	0	0	0	0	115	C552 T557 C576 R874	C552-C555 VanDerWaalsContact SG-SG 3.7Å; C555-T557 PolarHBondContact O-N 3.09Å; C555-T557 VanDerWaalsContact O-N 3.14Å; C555-T557 VanDerWaalsContact SG-CB 3.56Å; C555-T557 PolarHBondContact SG-OG1 3.09Å; C555-C576 HydrophobicContact CB-CB 4.12Å; C555-C576 PolarHBondContact SG-SG 3.02Å; C555-R874 WeakPolarHBondContact O-CD 3.5Å; C555-R874 PolarHBondContact O-NE 2.99Å
556	R	97.8	Very high	95.6	Very high	135 Å²	135	47.3 Å²	47.3	51%	0.509	24%	0.235	S	C	.	.			trans	59.8	16.9	-177.2	-46.4	-58.6	-174	149.6	3.9	115.3	C552 R553 S554	C552-R556 VanDerWaalsContact O-CA 3.23Å; C552-R556 WeakPolarHBondContact O-CA 3.3Å; C552-R556 PolarHBondContact O-N 3.42Å; R553-R556 PolarHBondContact O-NE 3.29Å; S554-R556 VanDerWaalsContact C-N 3.28Å; S554-R556 PolarHBondContact O-N 2.86Å
557	T	98.6	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-56	133.8	166.4	-65.4	0	0	0	0	110.5	R551 C552 C555 L575 R874	R551-T557 CarbonylContact C-O 3.54Å; R551-T557 WeakPolarHBondContact CA-O 3.21Å; C552-T557 PolarHBondContact N-O 3.26Å; C555-T557 PolarHBondContact O-N 3.09Å; C555-T557 VanDerWaalsContact O-N 3.14Å; C555-T557 VanDerWaalsContact SG-CB 3.56Å; C555-T557 PolarHBondContact SG-OG1 3.09Å; T557-L575 HydrophobicContact CG2-CB 4.46Å; T557-L575 HydrophobicContact CG2-CD1 4.12Å; T557-L575 HydrophobicContact CG2-CD2 3.99Å; T557-L575 HydrophobicContact CG2-CG 4.42Å; T557-L575 WeakPolarHBondContact OG1-CD2 3.24Å; T557-R874 VanDerWaalsContact OG1-CD 3.27Å; T557-R874 WeakPolarHBondContact OG1-CD 3.5Å
558	Y	98.5	Very high	96.1	Very high	13 Å²	13	48.6 Å²	48.6	5%	0.051	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-71.7	143.3	174.9	-62.6	-94.2	0	0	0	110.4	I549 R551 N560 F611 Q926 A928 I940 V942	I549-Y558 HydrophobicContact CG2-CD1 3.71Å; I549-Y558 HydrophobicContact CG2-CE1 3.76Å; R551-Y558 HydrophobicContact CG-CD1 3.66Å; R551-Y558 HydrophobicContact CG-CE1 3.9Å; R551-Y558 HydrophobicContact CG-CG 4.09Å; Y558-N560 PolarHBondContact O-ND2 2.67Å; Y558-F611 HydrophobicContact CD1-CE2 4.28Å; Y558-Q926 PolarHBondContact O-NE2 3.02Å; Y558-A928 HydrophobicContact CD2-CB 3.99Å; Y558-A928 HydrophobicContact CE2-CB 3.5Å; Y558-I940 HydrophobicContact CE1-CD1 4.22Å; Y558-I940 HydrophobicContact CE1-CG2 4.14Å; Y558-I940 HydrophobicContact CE2-CG2 4.36Å; Y558-V942 HydrophobicContact CD1-CG2 4.34Å; Y558-V942 HydrophobicContact CD2-CG2 3.99Å; Y558-V942 HydrophobicContact CE2-CG2 4.39Å; Y558-V942 HydrophobicContact CG-CG2 3.99Å
559	I	98.4	Very high	96.3	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-58.7	141.6	172.8	-157.4	165.8	0	0	0	109.8	V550 V563 F565 W571 F586 E603 V604	V550-I559 HydrophobicContact CB-CB 4.27Å; V550-I559 HydrophobicContact CB-CG2 3.91Å; V550-I559 HydrophobicContact CG1-CB 4.11Å; V550-I559 HydrophobicContact CG1-CD1 4.02Å; V550-I559 HydrophobicContact CG1-CG2 4.26Å; V550-I559 PolarHBondContact O-N 3.23Å; I559-V563 HydrophobicContact CD1-CG2 4.36Å; I559-V563 HydrophobicContact CG1-CG1 4.18Å; I559-V563 HydrophobicContact CG1-CG2 3.92Å; I559-F565 HydrophobicContact CD1-CZ 4.16Å; I559-W571 HydrophobicContact CB-CH2 4.29Å; I559-W571 HydrophobicContact CB-CZ2 4.46Å; I559-W571 HydrophobicContact CD1-CD2 3.9Å; I559-W571 HydrophobicContact CD1-CE3 4.31Å; I559-W571 HydrophobicContact CD1-CG 4.15Å; I559-W571 HydrophobicContact CD1-CZ2 4.42Å; I559-W571 HydrophobicContact CG1-CD2 4.3Å; I559-W571 HydrophobicContact CG1-CE3 4.21Å; I559-W571 HydrophobicContact CG1-CH2 4.39Å; I559-W571 HydrophobicContact CG1-CZ3 4.25Å; I559-F586 HydrophobicContact CD1-CE1 3.86Å; I559-F586 HydrophobicContact CD1-CZ 3.89Å; I559-F586 HydrophobicContact CG2-CE2 3.82Å; I559-F586 HydrophobicContact CG2-CZ 3.71Å; I559-E603 HydrophobicContact CG2-CB 3.87Å; I559-E603 HydrophobicContact CG2-CG 4.27Å; I559-V604 HydrophobicContact CG1-CG2 4.47Å
560	N	98.4	Very high	96.4	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	27%	0.266	C	S	.	.			trans	-157.2	169.6	-163.4	65.1	86.5	0	0	0	110.1	Y558 F562 V563 N574 E603 T944	Y558-N560 PolarHBondContact O-ND2 2.67Å; N560-F562 PolarHBondContact O-N 2.83Å; N560-F562 WeakPolarHBondContact OD1-CD2 3.25Å; N560-F562 PolarHBondContact OD1-N 2.95Å; N560-V563 WeakPolarHBondContact O-CG2 3.19Å; N560-V563 PolarHBondContact O-N 3.39Å; N560-N574 PolarHBondContact ND2-OD1 3.31Å; N560-N574 PolarHBondContact OD1-ND2 3.38Å; N560-E603 CarbonylContact C-O 3.49Å; N560-E603 VanDerWaalsContact CA-O 3.28Å; N560-E603 WeakPolarHBondContact CA-O 3.16Å; N560-T944 HydrophobicContact CB-CG2 4.02Å
561	P	98.2	Very high	96.4	Very high	16 Å²	16	58.4 Å²	58.4	10%	0.104	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	-174	-26.3	35.3	0	0	0	116.8	V500 V604 N606	V500-P561 HydrophobicContact CB-CB 3.96Å; V500-P561 HydrophobicContact CB-CG 4.27Å; V500-P561 HydrophobicContact CG2-CB 3.65Å; V500-P561 HydrophobicContact CG2-CG 4.43Å; P561-V604 VanDerWaalsContact CA-O 3.22Å; P561-V604 WeakPolarHBondContact CA-O 3.41Å; P561-V604 VanDerWaalsContact CB-O 3.22Å; P561-V604 WeakPolarHBondContact CB-O 3.3Å; P561-V604 WeakPolarHBondContact CG-O 3.49Å; P561-N606 VanDerWaalsContact CG-C 3.42Å; P561-N606 WeakPolarHBondContact CG-O 3.42Å
562	F	97.9	Very high	96.4	Very high	19 Å²	19	57.9 Å²	57.9	8%	0.083	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.8	-171.8	-46.9	-73.4	0	0	0	113.6	L497 V500 N501 N560 N574 T944 C946	L497-F562 HydrophobicContact CD2-CD1 3.98Å; L497-F562 HydrophobicContact CD2-CE1 4.28Å; V500-F562 HydrophobicContact CG2-CE1 4.05Å; V500-F562 HydrophobicContact CG2-CZ 4.35Å; N501-F562 HydrophobicContact CB-CZ 4.47Å; N560-F562 PolarHBondContact O-N 2.83Å; N560-F562 WeakPolarHBondContact OD1-CD2 3.25Å; N560-F562 PolarHBondContact OD1-N 2.95Å; F562-N574 HydrophobicContact CB-CB 4.34Å; F562-N574 WeakPolarHBondContact O-CB 3.17Å; F562-T944 HydrophobicContact CD2-CG2 3.73Å; F562-T944 HydrophobicContact CE2-CG2 3.89Å; F562-C946 HydrophobicContact CD1-CB 3.43Å; F562-C946 VanDerWaalsContact CD1-CB 3.43Å; F562-C946 HydrophobicContact CD2-CB 3.85Å; F562-C946 HydrophobicContact CE1-CB 3.29Å; F562-C946 HydrophobicContact CE2-CB 3.72Å; F562-C946 HydrophobicContact CG-CB 3.71Å; F562-C946 HydrophobicContact CZ-CB 3.43Å; F562-C946 VanDerWaalsContact CZ-CB 3.43Å
563	V	97.8	Very high	96.4	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.079	27%	0.265	C	S	.	.			trans	-74	144.9	176	-56.5	0	0	0	0	111.4	I559 N560 F565 W571	I559-V563 HydrophobicContact CD1-CG2 4.36Å; I559-V563 HydrophobicContact CG1-CG1 4.18Å; I559-V563 HydrophobicContact CG1-CG2 3.92Å; N560-V563 WeakPolarHBondContact O-CG2 3.19Å; N560-V563 PolarHBondContact O-N 3.39Å; V563-F565 HydrophobicContact CG2-CD2 4.29Å; V563-F565 HydrophobicContact CG2-CE2 3.79Å; V563-F565 HydrophobicContact CG2-CZ 4.36Å; V563-W571 HydrophobicContact CB-CE3 3.87Å; V563-W571 HydrophobicContact CB-CZ3 4.41Å; V563-W571 HydrophobicContact CG1-CE3 3.65Å; V563-W571 HydrophobicContact CG1-CZ3 3.68Å; V563-W571 HydrophobicContact CG2-CE3 4.34Å
564	T	96.3	Very high	96.4	Very high	78 Å²	78	51.5 Å²	51.5	48%	0.479	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.5	175.1	-38.3	0	0	0	0	109.7	L566 W571 K572	T564-L566 HydrophobicContact CG2-CD2 4.44Å; T564-L566 PolarHBondContact O-N 3.48Å; T564-W571 CarbonylContact O-C 3.51Å; T564-W571 WeakPolarHBondContact O-CA 3.31Å; T564-K572 PolarHBondContact N-O 3.03Å; T564-K572 PolarHBondContact O-N 3.43Å
565	F	96.1	Very high	96.4	Very high	50 Å²	50	49.4 Å²	49.4	22%	0.219	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.7	164.1	-71.1	-91.3	0	0	0	108.6	I559 V563 W571 V582 F586 P598 H599 V604	I559-F565 HydrophobicContact CD1-CZ 4.16Å; V563-F565 HydrophobicContact CG2-CD2 4.29Å; V563-F565 HydrophobicContact CG2-CE2 3.79Å; V563-F565 HydrophobicContact CG2-CZ 4.36Å; F565-W571 HydrophobicContact CD1-CB 4.16Å; F565-W571 HydrophobicContact CE1-CB 4.21Å; F565-V582 HydrophobicContact CD1-CG2 4.15Å; F565-V582 HydrophobicContact CE1-CG2 3.8Å; F565-F586 HydrophobicContact CZ-CE1 4.42Å; F565-P598 HydrophobicContact CD1-CG 4.25Å; F565-P598 HydrophobicContact CE1-CB 3.82Å; F565-P598 HydrophobicContact CE1-CG 3.88Å; F565-P598 HydrophobicContact CZ-CB 4.12Å; F565-P598 HydrophobicContact CZ-CG 4.46Å; F565-H599 HydrophobicContact CD2-CB 4.34Å; F565-H599 HydrophobicContact CE2-CB 4.25Å; F565-V604 HydrophobicContact CE2-CG1 4.08Å; F565-V604 HydrophobicContact CE2-CG2 4.29Å; F565-V604 HydrophobicContact CZ-CG2 4.29Å
566	L	94.9	Very high	96.4	Very high	94 Å²	94	49.1 Å²	49.1	49%	0.492	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-30	176.2	-57.3	-178.3	0	0	0	110.9	T564 R570 K572 V579	T564-L566 HydrophobicContact CG2-CD2 4.44Å; T564-L566 PolarHBondContact O-N 3.48Å; L566-R570 PolarHBondContact N-O 2.99Å; L566-K572 HydrophobicContact CD2-CB 4.36Å; L566-K572 HydrophobicContact CG-CB 4.46Å; L566-V579 HydrophobicContact CD1-CB 4.48Å; L566-V579 HydrophobicContact CD1-CG1 3.87Å; L566-V579 HydrophobicContact CD1-CG2 3.7Å
567	D	89.6	Confident	96.4	Very high	56 Å²	56	45.8 Å²	45.8	30%	0.299	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-176.6	169.9	54.9	64.5	0	0	0	107.6	R569 R570	D567-R569 PolarHBondContact O-N 2.77Å; D567-R569 VanDerWaalsContact OD1-CA 3.3Å; D567-R569 WeakPolarHBondContact OD1-CA 3.37Å; D567-R569 WeakPolarHBondContact OD1-CB 3.26Å; D567-R569 PolarHBondContact OD1-N 2.76Å; D567-R570 PolarHBondContact OD1-N 3.34Å; D567-R570 IonicContact OD1-NE 2.64Å; D567-R570 IonicContact OD2-CZ 2.82Å; D567-R570 IonicContact OD2-NE 2.76Å; D567-R570 PolarHBondContact OD2-NE 3.15Å; D567-R570 IonicContact OD2-NH2 3.64Å; D567-R570 PolarHBondContact OD2-NH2 2.95Å
568	Q	86.9	Confident	96.3	Very high	130 Å²	130	53 Å²	53	61%	0.607	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.5	179.5	-71.7	178.9	-19.3	0	0	113.9	M587	Q568-M587 WeakPolarHBondContact O-CE 3.5Å
569	R	91.3	Very high	96.3	Very high	164 Å²	164	54.7 Å²	54.7	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-8.6	-175.7	-68	-177.1	176.1	-90.7	0.8	114	D567 D581 V582 D584	D567-R569 PolarHBondContact O-N 2.77Å; D567-R569 VanDerWaalsContact OD1-CA 3.3Å; D567-R569 WeakPolarHBondContact OD1-CA 3.37Å; D567-R569 WeakPolarHBondContact OD1-CB 3.26Å; D567-R569 PolarHBondContact OD1-N 2.76Å; R569-D581 CarbonylContact O-C 3.6Å; R569-D581 WeakPolarHBondContact O-CA 3.01Å; R569-V582 PolarHBondContact O-N 3.35Å; R569-D584 IonicContact NH1-OD1 3.22Å
570	R	96.4	Very high	96.3	Very high	122 Å²	122	54.8 Å²	54.8	46%	0.46	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	136.6	-175.6	-65.1	-179.2	-63	-179.6	2.2	113.9	L566 D567 V579 N580	L566-R570 PolarHBondContact N-O 2.99Å; D567-R570 PolarHBondContact OD1-N 3.34Å; D567-R570 IonicContact OD1-NE 2.64Å; D567-R570 IonicContact OD2-CZ 2.82Å; D567-R570 IonicContact OD2-NE 2.76Å; D567-R570 PolarHBondContact OD2-NE 3.15Å; D567-R570 IonicContact OD2-NH2 3.64Å; D567-R570 PolarHBondContact OD2-NH2 2.95Å; R570-V579 HydrophobicContact CB-CG1 4.13Å; R570-N580 CarbonylContact C-O 3.39Å; R570-N580 WeakPolarHBondContact CA-O 3.49Å
571	W	97.8	Very high	96.3	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.3	178.7	67.9	-76	0	0	0	113	V550 C552 I559 V563 T564 F565 C573 N580 D581 V582	V550-W571 HydrophobicContact CG1-CZ2 3.75Å; C552-W571 HydrophobicContact CB-CH2 3.87Å; C552-W571 HydrophobicContact CB-CZ3 4.49Å; I559-W571 HydrophobicContact CB-CH2 4.29Å; I559-W571 HydrophobicContact CB-CZ2 4.46Å; I559-W571 HydrophobicContact CD1-CD2 3.9Å; I559-W571 HydrophobicContact CD1-CE3 4.31Å; I559-W571 HydrophobicContact CD1-CG 4.15Å; I559-W571 HydrophobicContact CD1-CZ2 4.42Å; I559-W571 HydrophobicContact CG1-CD2 4.3Å; I559-W571 HydrophobicContact CG1-CE3 4.21Å; I559-W571 HydrophobicContact CG1-CH2 4.39Å; I559-W571 HydrophobicContact CG1-CZ3 4.25Å; V563-W571 HydrophobicContact CB-CE3 3.87Å; V563-W571 HydrophobicContact CB-CZ3 4.41Å; V563-W571 HydrophobicContact CG1-CE3 3.65Å; V563-W571 HydrophobicContact CG1-CZ3 3.68Å; V563-W571 HydrophobicContact CG2-CE3 4.34Å; T564-W571 CarbonylContact O-C 3.51Å; T564-W571 WeakPolarHBondContact O-CA 3.31Å; F565-W571 HydrophobicContact CD1-CB 4.16Å; F565-W571 HydrophobicContact CE1-CB 4.21Å; W571-C573 HydrophobicContact CZ3-CB 4.02Å; W571-N580 HydrophobicContact CD2-CB 4.2Å; W571-N580 HydrophobicContact CG-CB 4.45Å; W571-N580 HydrophobicContact CZ2-CB 4Å; W571-N580 PolarHBondContact N-O 2.8Å; W571-N580 PolarHBondContact O-N 2.94Å; W571-N580 PolarHBondContact O-ND2 2.88Å; W571-D581 PolarHBondContact NE1-O 3.4Å; W571-D581 VanDerWaalsContact NE1-O 3.11Å; W571-V582 HydrophobicContact CB-CG2 4.33Å; W571-V582 HydrophobicContact CG-CG2 4.3Å
572	K	98.1	Very high	96.1	Very high	79 Å²	79	59.4 Å²	59.4	34%	0.343	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.1	173.3	-167.8	-177.2	178.4	-175.2	0	109.3	T564 L566 N574 Y577	T564-K572 PolarHBondContact N-O 3.03Å; T564-K572 PolarHBondContact O-N 3.43Å; L566-K572 HydrophobicContact CD2-CB 4.36Å; L566-K572 HydrophobicContact CG-CB 4.46Å; K572-N574 PolarHBondContact O-N 3.32Å; K572-Y577 WeakPolarHBondContact CE-O 3.36Å; K572-Y577 WeakPolarHBondContact CG-O 3.4Å
573	C	98.5	Very high	95.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.286	C	S	.	.			trans	-71.1	128.8	176.4	179.1	0	0	0	0	110.9	C552 W571 L575 Y577 R578	C552-C573 HydrophobicContact CB-CB 3.95Å; W571-C573 HydrophobicContact CZ3-CB 4.02Å; C573-L575 VanDerWaalsContact C-N 3.28Å; C573-L575 PolarHBondContact O-N 2.92Å; C573-L575 PolarHBondContact SG-N 2.89Å; C573-Y577 WeakPolarHBondContact O-CA 3.31Å; C573-Y577 PolarHBondContact O-N 2.81Å; C573-R578 PolarHBondContact N-O 2.99Å
574	N	97.8	Very high	95.5	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.091	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.8	178.7	56.8	-40.6	0	0	0	114.9	N560 F562 K572 C924	N560-N574 PolarHBondContact ND2-OD1 3.31Å; N560-N574 PolarHBondContact OD1-ND2 3.38Å; F562-N574 HydrophobicContact CB-CB 4.34Å; F562-N574 WeakPolarHBondContact O-CB 3.17Å; K572-N574 PolarHBondContact O-N 3.32Å; N574-C924 WeakPolarHBondContact ND2-CB 3.39Å; N574-C924 PolarHBondContact ND2-SG 3.05Å
575	L	97.9	Very high	95.1	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-34.4	-178.2	-87.9	66.9	0	0	0	113.8	T557 C573 R874 C875 T876 K877 C924 Q926	T557-L575 HydrophobicContact CG2-CB 4.46Å; T557-L575 HydrophobicContact CG2-CD1 4.12Å; T557-L575 HydrophobicContact CG2-CD2 3.99Å; T557-L575 HydrophobicContact CG2-CG 4.42Å; T557-L575 WeakPolarHBondContact OG1-CD2 3.24Å; C573-L575 VanDerWaalsContact C-N 3.28Å; C573-L575 PolarHBondContact O-N 2.92Å; C573-L575 PolarHBondContact SG-N 2.89Å; L575-R874 HydrophobicContact CD2-CB 3.6Å; L575-C875 WeakPolarHBondContact CD2-O 3.49Å; L575-C875 WeakPolarHBondContact CG-O 3.23Å; L575-T876 CarbonylContact O-C 3.57Å; L575-T876 WeakPolarHBondContact O-CA 3.49Å; L575-K877 PolarHBondContact O-N 2.96Å; L575-C924 HydrophobicContact CD1-CB 3.43Å; L575-C924 VanDerWaalsContact CD1-CB 3.43Å; L575-C924 HydrophobicContact CG-CB 4.4Å; L575-Q926 HydrophobicContact CD2-CB 4.41Å
576	C	97.6	Very high	94.9	Very high	36 Å²	36	61.2 Å²	61.2	24%	0.243	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	7.7	-176.7	74.6	0	0	0	0	114.6	C555 R578	C555-C576 HydrophobicContact CB-CB 4.12Å; C555-C576 PolarHBondContact SG-SG 3.02Å; C576-R578 PolarHBondContact O-N 2.85Å
577	Y	96.8	Very high	94.6	Very high	65 Å²	65	57.3 Å²	57.3	26%	0.255	27%	0.266	S	S	.	.			trans	59.9	-3.9	174.5	-45	-47.4	0	0	0	117.1	K572 C573 T876 S920	K572-Y577 WeakPolarHBondContact CE-O 3.36Å; K572-Y577 WeakPolarHBondContact CG-O 3.4Å; C573-Y577 WeakPolarHBondContact O-CA 3.31Å; C573-Y577 PolarHBondContact O-N 2.81Å; Y577-T876 HydrophobicContact CE1-CG2 4.32Å; Y577-T876 WeakPolarHBondContact OH-CG2 3.26Å; Y577-S920 VanDerWaalsContact OH-CB 3.22Å; Y577-S920 WeakPolarHBondContact OH-CB 3.41Å
578	R	98.2	Very high	94.4	Very high	151 Å²	151	59.2 Å²	59.2	57%	0.57	27%	0.27	S	S	*	.			trans	-58.6	133.7	170.8	-68.5	-95.6	-176.1	150	-0.6	110.3	S554 C573 C576 N580	S554-R578 WeakPolarHBondContact OG-CD 3.19Å; S554-R578 PolarHBondContact OG-NE 3.48Å; C573-R578 PolarHBondContact N-O 2.99Å; C576-R578 PolarHBondContact O-N 2.85Å; R578-N580 PolarHBondContact O-ND2 2.74Å
579	V	98.4	Very high	94.3	Very high	50 Å²	50	53.2 Å²	53.2	30%	0.303	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	141.2	169.3	-175.3	0	0	0	0	109.8	R553 L566 R570	R553-V579 PolarHBondContact NE-O 2.98Å; R553-V579 VanDerWaalsContact NE-O 3.08Å; R553-V579 PolarHBondContact NH2-O 3.07Å; L566-V579 HydrophobicContact CD1-CB 4.48Å; L566-V579 HydrophobicContact CD1-CG1 3.87Å; L566-V579 HydrophobicContact CD1-CG2 3.7Å; R570-V579 HydrophobicContact CB-CG1 4.13Å
580	N	98.4	Very high	93.8	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152	-178.6	-41.8	-96.4	0	0	0	108	C552 R553 R570 W571 R578	C552-N580 WeakPolarHBondContact CA-OD1 3.38Å; C552-N580 PolarHBondContact SG-OD1 3Å; R553-N580 WeakPolarHBondContact CG-OD1 3.49Å; R553-N580 PolarHBondContact N-OD1 3.49Å; R570-N580 CarbonylContact C-O 3.39Å; R570-N580 WeakPolarHBondContact CA-O 3.49Å; W571-N580 HydrophobicContact CD2-CB 4.2Å; W571-N580 HydrophobicContact CG-CB 4.45Å; W571-N580 HydrophobicContact CZ2-CB 4Å; W571-N580 PolarHBondContact N-O 2.8Å; W571-N580 PolarHBondContact O-N 2.94Å; W571-N580 PolarHBondContact O-ND2 2.88Å; R578-N580 PolarHBondContact O-ND2 2.74Å
581	D	97.1	Very high	93.1	Very high	104 Å²	104	47.1 Å²	47.1	56%	0.556	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.8	175.3	-45.9	-76	0	0	0	110.2	R569 W571	R569-D581 CarbonylContact O-C 3.6Å; R569-D581 WeakPolarHBondContact O-CA 3.01Å; W571-D581 PolarHBondContact NE1-O 3.4Å; W571-D581 VanDerWaalsContact NE1-O 3.11Å
582	V	95.3	Very high	92.4	Very high	10 Å²	10	51.1 Å²	51.1	6%	0.061	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-97.9	116.9	175.4	-171.8	0	0	0	0	107.5	F565 R569 W571 F586 M587 P598	F565-V582 HydrophobicContact CD1-CG2 4.15Å; F565-V582 HydrophobicContact CE1-CG2 3.8Å; R569-V582 PolarHBondContact O-N 3.35Å; W571-V582 HydrophobicContact CB-CG2 4.33Å; W571-V582 HydrophobicContact CG-CG2 4.3Å; V582-F586 HydrophobicContact CG1-CB 3.87Å; V582-F586 HydrophobicContact CG1-CD1 3.6Å; V582-F586 HydrophobicContact CG1-CG 4.12Å; V582-M587 HydrophobicContact CB-CE 3.8Å; V582-M587 HydrophobicContact CG1-CE 3.22Å; V582-P598 HydrophobicContact CG1-CB 4.24Å
583	P	93.3	Very high	91.8	Very high	44 Å²	44	57 Å²	57	29%	0.286	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.3	148.1	178.9	-24.4	35.6	0	0	0	112.3	T548 V550 E585 F586	T548-P583 HydrophobicContact CG2-CB 4.5Å; T548-P583 HydrophobicContact CG2-CG 4.16Å; V550-P583 HydrophobicContact CG2-CG 4.06Å; P583-E585 PolarHBondContact O-N 3.48Å; P583-F586 WeakPolarHBondContact O-CA 3.29Å; P583-F586 VanDerWaalsContact O-CB 3.28Å; P583-F586 WeakPolarHBondContact O-CB 3.3Å; P583-F586 PolarHBondContact O-N 3.48Å
584	D	89.5	Confident	91.1	Very high	94 Å²	94	58.8 Å²	58.8	50%	0.503	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-61.9	-29.7	-177.9	-61.4	-62	0	0	0	112.9	R569 F586 M587	R569-D584 IonicContact NH1-OD1 3.22Å; D584-F586 PolarHBondContact O-N 3.42Å; D584-M587 VanDerWaalsContact O-CB 3.3Å; D584-M587 WeakPolarHBondContact O-CB 3.44Å; D584-M587 PolarHBondContact O-N 3.02Å; D584-M587 VanDerWaalsContact O-N 3.09Å
585	E	87.3	Confident	90.7	Very high	59 Å²	59	65.1 Å²	65.1	28%	0.276	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29.7	170.9	-173.4	-177.3	-161.9	0	0	112.3	N547 T548 P583 M587 Y588 R601	N547-E585 WeakPolarHBondContact CB-OE1 3.15Å; N547-E585 PolarHBondContact N-OE1 3.2Å; N547-E585 PolarHBondContact ND2-OE1 3.49Å; T548-E585 WeakPolarHBondContact CB-OE2 3.28Å; T548-E585 PolarHBondContact N-OE2 3.01Å; T548-E585 PolarHBondContact OG1-OE2 3.49Å; P583-E585 PolarHBondContact O-N 3.48Å; E585-M587 VanDerWaalsContact C-N 3.31Å; E585-Y588 PolarHBondContact O-N 2.9Å; E585-R601 PolarHBondContact O-NH1 3.27Å
586	F	91.1	Very high	89.9	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-81.5	-8.2	178.4	-158	-91.9	0	0	0	113	V550 I559 F565 V582 P583 D584 Y588 P598 R601 E603 V604	V550-F586 HydrophobicContact CB-CD2 4.21Å; V550-F586 HydrophobicContact CB-CE2 4.32Å; V550-F586 HydrophobicContact CG2-CB 4.1Å; V550-F586 HydrophobicContact CG2-CD2 3.4Å; V550-F586 VanDerWaalsContact CG2-CD2 3.4Å; V550-F586 HydrophobicContact CG2-CE2 3.99Å; V550-F586 HydrophobicContact CG2-CG 3.88Å; I559-F586 HydrophobicContact CD1-CE1 3.86Å; I559-F586 HydrophobicContact CD1-CZ 3.89Å; I559-F586 HydrophobicContact CG2-CE2 3.82Å; I559-F586 HydrophobicContact CG2-CZ 3.71Å; F565-F586 HydrophobicContact CZ-CE1 4.42Å; V582-F586 HydrophobicContact CG1-CB 3.87Å; V582-F586 HydrophobicContact CG1-CD1 3.6Å; V582-F586 HydrophobicContact CG1-CG 4.12Å; P583-F586 WeakPolarHBondContact O-CA 3.29Å; P583-F586 VanDerWaalsContact O-CB 3.28Å; P583-F586 WeakPolarHBondContact O-CB 3.3Å; P583-F586 PolarHBondContact O-N 3.48Å; D584-F586 PolarHBondContact O-N 3.42Å; F586-Y588 VanDerWaalsContact C-N 3.28Å; F586-P598 HydrophobicContact CD1-CB 3.82Å; F586-P598 HydrophobicContact CE1-CB 4.05Å; F586-R601 HydrophobicContact CE1-CB 4.32Å; F586-R601 HydrophobicContact CE1-CG 4.45Å; F586-R601 HydrophobicContact CZ-CB 4.02Å; F586-R601 HydrophobicContact CZ-CG 4.43Å; F586-R601 WeakPolarHBondContact O-CD 3.45Å; F586-E603 HydrophobicContact CE2-CB 4.43Å; F586-E603 HydrophobicContact CE2-CG 4.25Å; F586-E603 WeakPolarHBondContact CE2-OE1 3.46Å; F586-E603 HydrophobicContact CZ-CB 4.3Å; F586-V604 HydrophobicContact CE1-CG2 4.22Å; F586-V604 HydrophobicContact CZ-CG2 4.02Å
587	M	88.5	Confident	89.4	Confident	12 Å²	12	67 Å²	67	6%	0.059	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-69.9	-27.3	166.1	-65.9	-60.3	103.3	0	0	112	Q568 V582 D584 E585 Y595 G596 P598	Q568-M587 WeakPolarHBondContact O-CE 3.5Å; V582-M587 HydrophobicContact CB-CE 3.8Å; V582-M587 HydrophobicContact CG1-CE 3.22Å; D584-M587 VanDerWaalsContact O-CB 3.3Å; D584-M587 WeakPolarHBondContact O-CB 3.44Å; D584-M587 PolarHBondContact O-N 3.02Å; D584-M587 VanDerWaalsContact O-N 3.09Å; E585-M587 VanDerWaalsContact C-N 3.31Å; M587-Y595 HydrophobicContact CB-CD1 4.35Å; M587-Y595 HydrophobicContact CB-CD2 3.99Å; M587-Y595 HydrophobicContact CB-CE1 3.86Å; M587-Y595 HydrophobicContact CB-CE2 3.46Å; M587-Y595 VanDerWaalsContact CB-CE2 3.46Å; M587-Y595 HydrophobicContact CB-CG 4.41Å; M587-Y595 HydrophobicContact CG-CE1 4.35Å; M587-Y595 HydrophobicContact CG-CE2 4.44Å; M587-Y595 CarbonylContact O-C 3.58Å; M587-Y595 WeakPolarHBondContact O-CA 3.49Å; M587-G596 PolarHBondContact O-N 3.14Å; M587-P598 HydrophobicContact CE-CB 3.83Å; M587-P598 HydrophobicContact CE-CG 3.85Å; M587-P598 HydrophobicContact SD-CG 4.39Å
588	Y	86.6	Confident	89.1	Confident	96 Å²	96	64 Å²	64	38%	0.376	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-85.4	133.4	178	-178.6	-111.7	0	0	0	111	E585 F586 R593 S594 R601	E585-Y588 PolarHBondContact O-N 2.9Å; F586-Y588 VanDerWaalsContact C-N 3.28Å; Y588-R593 HydrophobicContact CE2-CB 4.32Å; Y588-S594 WeakPolarHBondContact CD2-O 3.22Å; Y588-R601 WeakPolarHBondContact O-CD 3.13Å; Y588-R601 PolarHBondContact O-NH1 2.75Å
589	N	84.1	Confident	88.7	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	31%	0.308	C	S	.	.			trans	-97.8	112.6	174	-174.6	-28.8	0	0	0	109.8	V591 T592 R593 S594 K600 R601	N589-V591 PolarHBondContact O-N 3.11Å; N589-V591 PolarHBondContact OD1-N 3.18Å; N589-T592 VanDerWaalsContact CB-OG1 3.27Å; N589-T592 WeakPolarHBondContact CB-OG1 3.37Å; N589-T592 PolarHBondContact ND2-OG1 2.91Å; N589-T592 PolarHBondContact OD1-N 3.38Å; N589-R593 VanDerWaalsContact O-CA 3.22Å; N589-R593 WeakPolarHBondContact O-CA 3.39Å; N589-R593 PolarHBondContact O-N 2.93Å; N589-S594 PolarHBondContact N-O 2.94Å; N589-K600 PolarHBondContact ND2-O 3.49Å; N589-R601 HydrophobicContact CB-CG 4.36Å
590	P	80.4	Confident	88.4	Confident	48 Å²	48	62.9 Å²	62.9	31%	0.312	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.8	-174.6	28.2	-35.2	0	0	0	113.9
591	V	81.6	Confident	88.1	Confident	109 Å²	109	62.9 Å²	62.9	66%	0.661	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-51	-178.9	-179.9	0	0	0	0	111.1	N589 P602	N589-V591 PolarHBondContact O-N 3.11Å; N589-V591 PolarHBondContact OD1-N 3.18Å; V591-P602 HydrophobicContact CG2-CG 3.59Å
592	T	84.7	Confident	87.9	Confident	85 Å²	85	58.6 Å²	58.6	52%	0.521	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-14.7	-180	57.3	0	0	0	0	113.6	N589 S594	N589-T592 VanDerWaalsContact CB-OG1 3.27Å; N589-T592 WeakPolarHBondContact CB-OG1 3.37Å; N589-T592 PolarHBondContact ND2-OG1 2.91Å; N589-T592 PolarHBondContact OD1-N 3.38Å; T592-S594 PolarHBondContact O-N 3.27Å; T592-S594 PolarHBondContact OG1-N 3.27Å; T592-S594 PolarHBondContact OG1-OG 3.42Å
593	R	83.9	Confident	87.9	Confident	202 Å²	202	58.2 Å²	58.2	76%	0.762	29%	0.287	S	S	*	.			trans	59.2	22.3	-171.9	-49.8	-176.1	-178.2	177.9	0.1	114.2	Y588 N589	Y588-R593 HydrophobicContact CE2-CB 4.32Å; N589-R593 VanDerWaalsContact O-CA 3.22Å; N589-R593 WeakPolarHBondContact O-CA 3.39Å; N589-R593 PolarHBondContact O-N 2.93Å
594	S	85.5	Confident	88	Confident	38 Å²	38	56.6 Å²	56.6	27%	0.266	28%	0.277	S	S	.	.			trans	-91.8	162.4	173.9	60.1	0	0	0	0	112.2	Y588 N589 T592	Y588-S594 WeakPolarHBondContact CD2-O 3.22Å; N589-S594 PolarHBondContact N-O 2.94Å; T592-S594 PolarHBondContact O-N 3.27Å; T592-S594 PolarHBondContact OG1-N 3.27Å; T592-S594 PolarHBondContact OG1-OG 3.42Å
595	Y	88	Confident	88.3	Confident	150 Å²	150	56.7 Å²	56.7	59%	0.588	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-126.1	148	-179.1	-171.3	-88.4	0	0	0	111.1	M587	M587-Y595 HydrophobicContact CB-CD1 4.35Å; M587-Y595 HydrophobicContact CB-CD2 3.99Å; M587-Y595 HydrophobicContact CB-CE1 3.86Å; M587-Y595 HydrophobicContact CB-CE2 3.46Å; M587-Y595 VanDerWaalsContact CB-CE2 3.46Å; M587-Y595 HydrophobicContact CB-CG 4.41Å; M587-Y595 HydrophobicContact CG-CE1 4.35Å; M587-Y595 HydrophobicContact CG-CE2 4.44Å; M587-Y595 CarbonylContact O-C 3.58Å; M587-Y595 WeakPolarHBondContact O-CA 3.49Å
596	G	82.5	Confident	88.8	Confident	17 Å²	17	56.8 Å²	56.8	18%	0.175	28%	0.276	C	S	.	.	S	Bend	trans	91.6	4.4	174.2	0	0	0	0	0	115.5	M587 P598	M587-G596 PolarHBondContact O-N 3.14Å; G596-P598 VanDerWaalsContact C-CD 3.46Å; G596-P598 VanDerWaalsContact O-CD 3.31Å; G596-P598 WeakPolarHBondContact O-CD 3.41Å
597	E	86.9	Confident	89.1	Confident	62 Å²	62	57.3 Å²	57.3	29%	0.29	28%	0.28	S	S	.	.			trans	-121.8	64.6	-175	-59.3	-168.4	116.3	0	0	112	H599 K600	E597-H599 PolarHBondContact O-N 3.43Å; E597-H599 VanDerWaalsContact O-N 3.13Å; E597-K600 HydrophobicContact CB-CB 4.37Å; E597-K600 HydrophobicContact CB-CD 4.23Å; E597-K600 HydrophobicContact CB-CG 4.21Å; E597-K600 VanDerWaalsContact CD-CE 3.45Å; E597-K600 PolarHBondContact O-N 3.15Å; E597-K600 WeakPolarHBondContact OE1-CE 3.43Å; E597-K600 IonicContact OE1-NZ 2.76Å; E597-K600 PolarHBondContact OE1-NZ 2.91Å; E597-K600 WeakPolarHBondContact OE2-CD 3.28Å; E597-K600 WeakPolarHBondContact OE2-CE 3.29Å; E597-K600 IonicContact OE2-NZ 3.54Å; E597-K600 PolarHBondContact OE2-NZ 3.18Å
598	P	89.5	Confident	89.5	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.013	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.9	-173.1	27	-37.6	0	0	0	113.1	F565 V582 F586 M587 G596 K600 R601	F565-P598 HydrophobicContact CD1-CG 4.25Å; F565-P598 HydrophobicContact CE1-CB 3.82Å; F565-P598 HydrophobicContact CE1-CG 3.88Å; F565-P598 HydrophobicContact CZ-CB 4.12Å; F565-P598 HydrophobicContact CZ-CG 4.46Å; V582-P598 HydrophobicContact CG1-CB 4.24Å; F586-P598 HydrophobicContact CD1-CB 3.82Å; F586-P598 HydrophobicContact CE1-CB 4.05Å; M587-P598 HydrophobicContact CE-CB 3.83Å; M587-P598 HydrophobicContact CE-CG 3.85Å; M587-P598 HydrophobicContact SD-CG 4.39Å; G596-P598 VanDerWaalsContact C-CD 3.46Å; G596-P598 VanDerWaalsContact O-CD 3.31Å; G596-P598 WeakPolarHBondContact O-CD 3.41Å; P598-K600 VanDerWaalsContact C-N 3.27Å; P598-K600 PolarHBondContact O-N 3.03Å; P598-R601 WeakPolarHBondContact O-CB 3.3Å; P598-R601 PolarHBondContact O-N 3.02Å
599	H	89.8	Confident	90	Very high	86 Å²	86	53.3 Å²	53.3	40%	0.398	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.8	177.2	58.9	90.9	0	0	0	113.8	F565 E597 V604 Q605	F565-H599 HydrophobicContact CD2-CB 4.34Å; F565-H599 HydrophobicContact CE2-CB 4.25Å; E597-H599 PolarHBondContact O-N 3.43Å; E597-H599 VanDerWaalsContact O-N 3.13Å; H599-V604 WeakPolarHBondContact O-CG1 3.4Å; H599-Q605 PolarHBondContact O-NE2 3.25Å
600	K	91.4	Very high	90.7	Very high	92 Å²	92	53.3 Å²	53.3	40%	0.4	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-87.7	-1.5	175.3	-63.7	-169.1	-168.6	164.2	0	113.6	N589 E597 P598	N589-K600 PolarHBondContact ND2-O 3.49Å; E597-K600 HydrophobicContact CB-CB 4.37Å; E597-K600 HydrophobicContact CB-CD 4.23Å; E597-K600 HydrophobicContact CB-CG 4.21Å; E597-K600 VanDerWaalsContact CD-CE 3.45Å; E597-K600 PolarHBondContact O-N 3.15Å; E597-K600 WeakPolarHBondContact OE1-CE 3.43Å; E597-K600 IonicContact OE1-NZ 2.76Å; E597-K600 PolarHBondContact OE1-NZ 2.91Å; E597-K600 WeakPolarHBondContact OE2-CD 3.28Å; E597-K600 WeakPolarHBondContact OE2-CE 3.29Å; E597-K600 IonicContact OE2-NZ 3.54Å; E597-K600 PolarHBondContact OE2-NZ 3.18Å; P598-K600 VanDerWaalsContact C-N 3.27Å; P598-K600 PolarHBondContact O-N 3.03Å
601	R	92.7	Very high	91.5	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.015	25%	0.252	C	S	.	.	S	Bend	trans	-66.2	148.4	179.9	-83.2	-166.6	64	137.7	-18.6	111.9	S546 E585 F586 Y588 N589 P598 E603 V604 Q605	S546-R601 PolarHBondContact OG-NH2 2.73Å; S546-R601 VanDerWaalsContact OG-NH2 3.1Å; E585-R601 PolarHBondContact O-NH1 3.27Å; F586-R601 HydrophobicContact CE1-CB 4.32Å; F586-R601 HydrophobicContact CE1-CG 4.45Å; F586-R601 HydrophobicContact CZ-CB 4.02Å; F586-R601 HydrophobicContact CZ-CG 4.43Å; F586-R601 WeakPolarHBondContact O-CD 3.45Å; Y588-R601 WeakPolarHBondContact O-CD 3.13Å; Y588-R601 PolarHBondContact O-NH1 2.75Å; N589-R601 HydrophobicContact CB-CG 4.36Å; P598-R601 WeakPolarHBondContact O-CB 3.3Å; P598-R601 PolarHBondContact O-N 3.02Å; R601-E603 WeakPolarHBondContact CB-OE2 3.22Å; R601-E603 IonicContact CZ-OE1 3.59Å; R601-E603 IonicContact CZ-OE2 3.75Å; R601-E603 IonicContact NE-OE1 3.46Å; R601-E603 PolarHBondContact NE-OE1 3.23Å; R601-E603 IonicContact NE-OE2 3.88Å; R601-E603 PolarHBondContact NE-OE2 3.49Å; R601-E603 IonicContact NH2-OE1 2.7Å; R601-E603 PolarHBondContact NH2-OE1 2.86Å; R601-E603 IonicContact NH2-OE2 3.74Å; R601-E603 PolarHBondContact O-N 3.29Å; R601-E603 VanDerWaalsContact O-N 3.13Å; R601-V604 PolarHBondContact O-N 3.18Å; R601-Q605 PolarHBondContact O-N 3.36Å; R601-Q605 VanDerWaalsContact O-N 3.08Å
602	P	93.3	Very high	92.2	Very high	15 Å²	15	48.2 Å²	48.2	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-53.8	-35.4	-177.1	-27.6	35.8	0	0	0	114.3	I544 V591 V604 Q605 N606	I544-P602 HydrophobicContact CD1-CB 3.84Å; I544-P602 HydrophobicContact CG1-CB 4.24Å; V591-P602 HydrophobicContact CG2-CG 3.59Å; P602-V604 PolarHBondContact O-N 3.37Å; P602-Q605 PolarHBondContact O-N 3.5Å; P602-N606 WeakPolarHBondContact O-CB 3.47Å; P602-N606 PolarHBondContact O-N 3.26Å; P602-N606 VanDerWaalsContact O-N 3.09Å; P602-N606 PolarHBondContact O-ND2 2.84Å
603	E	94.8	Very high	92.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-30.9	174.6	-60.9	91.5	141.5	0	0	113.9	I544 I559 N560 F586 R601 F611	I544-E603 HydrophobicContact CD1-CG 3.64Å; I559-E603 HydrophobicContact CG2-CB 3.87Å; I559-E603 HydrophobicContact CG2-CG 4.27Å; N560-E603 CarbonylContact C-O 3.49Å; N560-E603 VanDerWaalsContact CA-O 3.28Å; N560-E603 WeakPolarHBondContact CA-O 3.16Å; F586-E603 HydrophobicContact CE2-CB 4.43Å; F586-E603 HydrophobicContact CE2-CG 4.25Å; F586-E603 WeakPolarHBondContact CE2-OE1 3.46Å; F586-E603 HydrophobicContact CZ-CB 4.3Å; R601-E603 WeakPolarHBondContact CB-OE2 3.22Å; R601-E603 IonicContact CZ-OE1 3.59Å; R601-E603 IonicContact CZ-OE2 3.75Å; R601-E603 IonicContact NE-OE1 3.46Å; R601-E603 PolarHBondContact NE-OE1 3.23Å; R601-E603 IonicContact NE-OE2 3.88Å; R601-E603 PolarHBondContact NE-OE2 3.49Å; R601-E603 IonicContact NH2-OE1 2.7Å; R601-E603 PolarHBondContact NH2-OE1 2.86Å; R601-E603 IonicContact NH2-OE2 3.74Å; R601-E603 PolarHBondContact O-N 3.29Å; R601-E603 VanDerWaalsContact O-N 3.13Å; E603-F611 HydrophobicContact CG-CE1 3.52Å; E603-F611 HydrophobicContact CG-CZ 3.56Å
604	V	96.3	Very high	92.9	Very high	11 Å²	11	36.6 Å²	36.6	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-99.1	-16.9	-177.4	-171.8	0	0	0	0	111.2	I559 P561 F565 F586 H599 R601 P602	I559-V604 HydrophobicContact CG1-CG2 4.47Å; P561-V604 VanDerWaalsContact CA-O 3.22Å; P561-V604 WeakPolarHBondContact CA-O 3.41Å; P561-V604 VanDerWaalsContact CB-O 3.22Å; P561-V604 WeakPolarHBondContact CB-O 3.3Å; P561-V604 WeakPolarHBondContact CG-O 3.49Å; F565-V604 HydrophobicContact CE2-CG1 4.08Å; F565-V604 HydrophobicContact CE2-CG2 4.29Å; F565-V604 HydrophobicContact CZ-CG2 4.29Å; F586-V604 HydrophobicContact CE1-CG2 4.22Å; F586-V604 HydrophobicContact CZ-CG2 4.02Å; H599-V604 WeakPolarHBondContact O-CG1 3.4Å; R601-V604 PolarHBondContact O-N 3.18Å; P602-V604 PolarHBondContact O-N 3.37Å
605	Q	95.6	Very high	93.1	Very high	96 Å²	96	38.8 Å²	38.8	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-94.8	-11.6	178.1	-65.2	-64	-63.8	0	0	113.6	H599 R601 P602	H599-Q605 PolarHBondContact O-NE2 3.25Å; R601-Q605 PolarHBondContact O-N 3.36Å; R601-Q605 VanDerWaalsContact O-N 3.08Å; P602-Q605 PolarHBondContact O-N 3.5Å
606	N	96.7	Very high	93.2	Very high	60 Å²	60	37.9 Å²	37.9	32%	0.321	21%	0.207	S	C	.	.			trans	-135.9	128.9	-175	-57.3	-97	0	0	0	111.6	P542 P561 P602 T608 V609	P542-N606 HydrophobicContact CG-CB 4.21Å; P561-N606 VanDerWaalsContact CG-C 3.42Å; P561-N606 WeakPolarHBondContact CG-O 3.42Å; P602-N606 WeakPolarHBondContact O-CB 3.47Å; P602-N606 PolarHBondContact O-N 3.26Å; P602-N606 VanDerWaalsContact O-N 3.09Å; P602-N606 PolarHBondContact O-ND2 2.84Å; N606-T608 VanDerWaalsContact C-N 3.26Å; N606-T608 PolarHBondContact O-N 3.46Å; N606-V609 HydrophobicContact CB-CG1 3.73Å
607	S	97.4	Very high	93.7	Very high	13 Å²	13	38.2 Å²	38.2	9%	0.091	20%	0.203	C	C	.	.	S	Bend	trans	-63.5	-29.6	170.5	47.7	0	0	0	0	113.8	V500 N501 C502 H943 T944	V500-S607 WeakPolarHBondContact O-CB 3.2Å; V500-S607 PolarHBondContact O-N 3.05Å; V500-S607 PolarHBondContact O-OG 2.69Å; N501-S607 VanDerWaalsContact C-CB 3.49Å; N501-S607 PolarHBondContact O-OG 3.12Å; C502-S607 WeakPolarHBondContact CA-OG 3.46Å; C502-S607 PolarHBondContact N-OG 2.77Å; S607-H943 CarbonylContact O-C 3.53Å; S607-H943 WeakPolarHBondContact O-CA 3.36Å; S607-T944 VanDerWaalsContact CB-O 3.23Å; S607-T944 WeakPolarHBondContact CB-O 3.46Å; S607-T944 PolarHBondContact O-N 3.13Å
608	T	98.3	Very high	93.9	Very high	19 Å²	19	38.3 Å²	38.3	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.5	-174.9	-71.5	0	0	0	0	110	L538 L541 P542 N606 V942 H943	L538-T608 HydrophobicContact CD1-CG2 4.1Å; L541-T608 HydrophobicContact CD1-CG2 3.69Å; P542-T608 WeakPolarHBondContact CD-O 3.16Å; N606-T608 VanDerWaalsContact C-N 3.26Å; N606-T608 PolarHBondContact O-N 3.46Å; T608-V942 VanDerWaalsContact CA-O 3.3Å; T608-V942 WeakPolarHBondContact CA-O 3.21Å; T608-H943 WeakPolarHBondContact CG2-ND1 3.4Å; T608-H943 PolarHBondContact OG1-ND1 2.81Å
609	V	97.6	Very high	94	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	162.8	-176.7	-62.3	0	0	0	0	111.1	P542 I544 N606 F611 R941 V942	P542-V609 HydrophobicContact CB-CG1 4.25Å; P542-V609 HydrophobicContact CG-CG1 4.46Å; I544-V609 HydrophobicContact CD1-CB 3.8Å; I544-V609 HydrophobicContact CD1-CG1 3.9Å; I544-V609 HydrophobicContact CD1-CG2 4.25Å; N606-V609 HydrophobicContact CB-CG1 3.73Å; V609-F611 HydrophobicContact CG2-CD2 4.39Å; V609-F611 HydrophobicContact CG2-CE2 3.67Å; V609-F611 HydrophobicContact CG2-CZ 4.01Å; V609-R941 WeakPolarHBondContact O-CA 3.49Å; V609-V942 HydrophobicContact CG2-CB 4.15Å; V609-V942 PolarHBondContact N-O 3.08Å; V609-V942 PolarHBondContact O-N 3.13Å
610	E	97.8	Very high	94.2	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	110.4	176.4	-168	173.4	100.4	0	0	112	L541 P542 V543 I544 Y931 R939 I940 R941	L541-E610 HydrophobicContact CD1-CB 4.28Å; L541-E610 HydrophobicContact CD2-CB 3.87Å; L541-E610 HydrophobicContact CD2-CG 4.48Å; L541-E610 WeakPolarHBondContact CD2-OE2 3.38Å; L541-E610 HydrophobicContact CG-CB 4.03Å; P542-E610 PolarHBondContact O-N 3.02Å; V543-E610 CarbonylContact C-O 3.43Å; V543-E610 VanDerWaalsContact CA-O 3.26Å; V543-E610 WeakPolarHBondContact CA-O 3.44Å; I544-E610 PolarHBondContact N-O 2.96Å; E610-Y931 VanDerWaalsContact CD-OH 3.24Å; E610-Y931 PolarHBondContact OE1-OH 2.81Å; E610-Y931 PolarHBondContact OE2-OH 2.98Å; E610-Y931 VanDerWaalsContact OE2-OH 3.1Å; E610-R939 HydrophobicContact CG-CB 4.2Å; E610-R939 WeakPolarHBondContact OE1-CD 3.39Å; E610-R939 IonicContact OE1-CZ 3.52Å; E610-R939 IonicContact OE1-NE 3.49Å; E610-R939 IonicContact OE1-NH1 2.75Å; E610-R939 PolarHBondContact OE1-NH1 3.44Å; E610-I940 CarbonylContact C-O 3.58Å; E610-I940 WeakPolarHBondContact CA-O 3.47Å; E610-R941 HydrophobicContact CG-CB 4.23Å; E610-R941 IonicContact OE2-CZ 2.67Å; E610-R941 VanDerWaalsContact OE2-CZ 3.24Å; E610-R941 IonicContact OE2-NE 2.76Å; E610-R941 PolarHBondContact OE2-NE 3.01Å; E610-R941 IonicContact OE2-NH2 3.71Å; E610-R941 PolarHBondContact OE2-NH2 2.88Å
611	F	97	Very high	94.4	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	142.1	177.3	-58.2	-88.8	0	0	0	111.2	I544 I549 Y558 E603 V609 R939 I940 V942	I544-F611 HydrophobicContact CB-CD1 3.89Å; I544-F611 HydrophobicContact CB-CE1 4.21Å; I544-F611 HydrophobicContact CD1-CE1 4.09Å; I544-F611 HydrophobicContact CD1-CZ 4.4Å; I544-F611 HydrophobicContact CG2-CD1 3.88Å; I544-F611 HydrophobicContact CG2-CE1 3.98Å; I544-F611 WeakPolarHBondContact O-CA 3.48Å; I549-F611 HydrophobicContact CD1-CB 3.85Å; I549-F611 HydrophobicContact CD1-CD1 4.4Å; I549-F611 HydrophobicContact CD1-CG 4.25Å; I549-F611 HydrophobicContact CG1-CD1 4.21Å; I549-F611 HydrophobicContact CG2-CD1 4.03Å; I549-F611 HydrophobicContact CG2-CD2 4.45Å; I549-F611 HydrophobicContact CG2-CE1 4.11Å; I549-F611 HydrophobicContact CG2-CG 4.21Å; I549-F611 HydrophobicContact CG2-CZ 4.37Å; Y558-F611 HydrophobicContact CD1-CE2 4.28Å; E603-F611 HydrophobicContact CG-CE1 3.52Å; E603-F611 HydrophobicContact CG-CZ 3.56Å; V609-F611 HydrophobicContact CG2-CD2 4.39Å; V609-F611 HydrophobicContact CG2-CE2 3.67Å; V609-F611 HydrophobicContact CG2-CZ 4.01Å; F611-R939 CarbonylContact O-C 3.55Å; F611-R939 WeakPolarHBondContact O-CA 3.28Å; F611-R939 WeakPolarHBondContact O-CB 3.5Å; F611-I940 HydrophobicContact CB-CB 4.34Å; F611-I940 HydrophobicContact CD2-CB 4.42Å; F611-I940 PolarHBondContact N-O 2.7Å; F611-I940 PolarHBondContact O-N 2.75Å; F611-V942 HydrophobicContact CD2-CG2 4.1Å; F611-V942 HydrophobicContact CE2-CB 4.48Å; F611-V942 HydrophobicContact CE2-CG2 3.83Å
612	I	95.8	Very high	94.5	Very high	49 Å²	49	49.2 Å²	49.2	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127	155.9	-55.8	-173.1	0	0	0	107.2	V543 I544 T545	V543-I612 HydrophobicContact CG1-CD1 4.37Å; V543-I612 HydrophobicContact CG1-CG1 4.09Å; I544-I612 PolarHBondContact O-N 3.32Å; T545-I612 WeakPolarHBondContact OG1-CD1 3.25Å
613	A	93.6	Very high	94.6	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-95.4	145.4	-172.3	0	0	0	0	0	112.9	Y617 R938 I940	A613-Y617 HydrophobicContact CB-CD2 4.04Å; A613-Y617 HydrophobicContact CB-CG 4.01Å; A613-R938 HydrophobicContact CB-CB 4.2Å; A613-R938 HydrophobicContact CB-CG 4.11Å; A613-R938 PolarHBondContact N-O 2.87Å; A613-I940 HydrophobicContact CB-CD1 3.84Å; A613-I940 HydrophobicContact CB-CG1 4.1Å
614	S	89.9	Confident	94.7	Very high	33 Å²	33	49.9 Å²	49.9	23%	0.231	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-71	173.4	172.7	58.8	0	0	0	0	112.5	D616 Y617 M618	S614-D616 VanDerWaalsContact CB-OD2 3.31Å; S614-D616 WeakPolarHBondContact CB-OD2 3.22Å; S614-D616 PolarHBondContact O-N 3Å; S614-D616 VanDerWaalsContact O-N 3.15Å; S614-D616 PolarHBondContact OG-OD2 2.99Å; S614-Y617 PolarHBondContact O-N 3.27Å; S614-Y617 WeakPolarHBondContact OG-CD2 3.46Å; S614-M618 WeakPolarHBondContact O-CE 3.28Å
615	S	89.9	Confident	94.8	Very high	85 Å²	85	49.4 Å²	49.4	59%	0.594	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-52.5	-28.9	172.1	40.8	0	0	0	0	113.5	Y617 M618	S615-Y617 PolarHBondContact O-N 2.88Å; S615-M618 WeakPolarHBondContact O-CB 3.5Å; S615-M618 PolarHBondContact O-N 3.35Å
616	D	90.8	Very high	94.9	Very high	130 Å²	130	44.9 Å²	44.9	70%	0.695	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-65.8	-8.4	-178.2	-34.5	-56.8	0	0	0	113.5	S614	S614-D616 VanDerWaalsContact CB-OD2 3.31Å; S614-D616 WeakPolarHBondContact CB-OD2 3.22Å; S614-D616 PolarHBondContact O-N 3Å; S614-D616 VanDerWaalsContact O-N 3.15Å; S614-D616 PolarHBondContact OG-OD2 2.99Å
617	Y	92.9	Very high	95	Very high	25 Å²	25	42 Å²	42	10%	0.098	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-109.4	15.6	175.8	-64.2	-96.2	0	0	0	112.7	I549 R551 A613 S614 S615 L930 R938 I940	I549-Y617 HydrophobicContact CD1-CE2 4.08Å; R551-Y617 PolarHBondContact NE-OH 3.33Å; R551-Y617 VanDerWaalsContact NE-OH 3.12Å; R551-Y617 PolarHBondContact NH2-OH 2.9Å; A613-Y617 HydrophobicContact CB-CD2 4.04Å; A613-Y617 HydrophobicContact CB-CG 4.01Å; S614-Y617 PolarHBondContact O-N 3.27Å; S614-Y617 WeakPolarHBondContact OG-CD2 3.46Å; S615-Y617 PolarHBondContact O-N 2.88Å; Y617-L930 HydrophobicContact CD1-CD1 4.19Å; Y617-L930 HydrophobicContact CD1-CD2 4.32Å; Y617-L930 HydrophobicContact CG-CD1 4.46Å; Y617-R938 PolarHBondContact O-NE 3.35Å; Y617-I940 HydrophobicContact CD1-CD1 3.61Å; Y617-I940 HydrophobicContact CD1-CG1 4.32Å; Y617-I940 HydrophobicContact CD2-CD1 4.36Å; Y617-I940 HydrophobicContact CE1-CD1 3.37Å; Y617-I940 HydrophobicContact CE1-CG1 4.39Å; Y617-I940 HydrophobicContact CE2-CD1 4.18Å; Y617-I940 HydrophobicContact CG-CD1 4.08Å
618	M	91.6	Very high	95.1	Very high	63 Å²	63	41.4 Å²	41.4	31%	0.31	23%	0.23	S	C	.	.			trans	-127.2	118.2	-176.9	-48.2	-171.5	-157.1	0	0	110	S614 S615 P622 R938	S614-M618 WeakPolarHBondContact O-CE 3.28Å; S615-M618 WeakPolarHBondContact O-CB 3.5Å; S615-M618 PolarHBondContact O-N 3.35Å; M618-P622 HydrophobicContact CE-CG 4.4Å; M618-P622 HydrophobicContact SD-CG 3.58Å; M618-P622 VanDerWaalsContact SD-CG 3.58Å; M618-R938 HydrophobicContact CE-CB 3.84Å; M618-R938 HydrophobicContact CG-CB 4.19Å; M618-R938 HydrophobicContact CG-CG 4.08Å; M618-R938 HydrophobicContact SD-CB 4.36Å
619	L	91.6	Very high	95.1	Very high	190 Å²	190	40.5 Å²	40.5	100%	0.995	23%	0.225	S	C	*	.	S	Bend	trans	-83.1	-18.2	171.5	-63.3	176.4	0	0	0	112.5
620	R	94.3	Very high	95.2	Very high	87 Å²	87	40.2 Å²	40.2	33%	0.328	22%	0.223	S	C	.	.	S	Bend	trans	-152.4	163.5	177.4	64.1	177	-173.7	165.6	2	108.4	T751 E868	R620-T751 PolarHBondContact NH1-O 2.77Å; R620-T751 VanDerWaalsContact NH1-O 3.13Å; R620-T751 PolarHBondContact NH2-O 3.12Å; R620-E868 IonicContact CZ-OE2 3.43Å; R620-E868 IonicContact NE-OE2 2.68Å; R620-E868 PolarHBondContact NE-OE2 2.77Å; R620-E868 IonicContact NH2-OE2 3.46Å; R620-E868 PolarHBondContact NH2-OE2 3.11Å
621	P	94.4	Very high	95.2	Very high	113 Å²	113	40 Å²	40	73%	0.734	22%	0.222	S	C	*	.	S	Bend	trans	-53.8	140.1	172.6	-26	35.6	0	0	0	111.8	Q623	P621-Q623 PolarHBondContact O-N 2.85Å
622	P	95.6	Very high	95.3	Very high	23 Å²	23	40 Å²	40	15%	0.149	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-59.2	126.6	-175.6	-25.6	34.7	0	0	0	112.8	M618 R662 T932 G936 R938	M618-P622 HydrophobicContact CE-CG 4.4Å; M618-P622 HydrophobicContact SD-CG 3.58Å; M618-P622 VanDerWaalsContact SD-CG 3.58Å; P622-R662 PolarHBondContact O-NH1 2.85Å; P622-T932 HydrophobicContact CB-CG2 3.72Å; P622-G936 VanDerWaalsContact CB-O 3.32Å; P622-G936 WeakPolarHBondContact CB-O 3.35Å; P622-R938 HydrophobicContact CG-CB 4.49Å
623	Q	94.3	Very high	95.4	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.033	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59.5	152.3	-174.7	70	176.2	-93.2	0	0	112.5	P621 R662 T751 F867 E868 T932	P621-Q623 PolarHBondContact O-N 2.85Å; Q623-R662 PolarHBondContact O-NH2 3.28Å; Q623-T751 PolarHBondContact NE2-O 3.32Å; Q623-F867 HydrophobicContact CG-CB 3.96Å; Q623-E868 HydrophobicContact CG-CG 4.09Å; Q623-E868 PolarHBondContact N-OE1 2.76Å; Q623-E868 VanDerWaalsContact NE2-CG 3.35Å; Q623-E868 PolarHBondContact NE2-OE2 3.19Å; Q623-E868 VanDerWaalsContact NE2-OE2 3.1Å; Q623-T932 HydrophobicContact CG-CG2 4.41Å
624	P	96.8	Very high	95.6	Very high	24 Å²	24	37.2 Å²	37.2	16%	0.156	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.3	164.6	161.6	30.4	-34.3	0	0	0	110.5	V626 R662	P624-V626 HydrophobicContact CG-CG2 3.84Å; P624-V626 PolarHBondContact O-N 3.35Å; P624-R662 HydrophobicContact CB-CB 3.83Å; P624-R662 VanDerWaalsContact CB-O 3.31Å; P624-R662 WeakPolarHBondContact CB-O 3.25Å
625	A	98.2	Very high	96	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-70	125.8	163.6	0	0	0	0	0	108.7	Y627 P658 T663 K664 F867	A625-Y627 HydrophobicContact CB-CE2 3.99Å; A625-P658 VanDerWaalsContact CB-O 3.28Å; A625-P658 WeakPolarHBondContact CB-O 3.31Å; A625-T663 HydrophobicContact CB-CG2 4.42Å; A625-T663 VanDerWaalsContact O-CA 3.31Å; A625-T663 WeakPolarHBondContact O-CA 3.44Å; A625-K664 PolarHBondContact O-N 3.48Å; A625-F867 HydrophobicContact CB-CE2 3.63Å; A625-F867 HydrophobicContact CB-CZ 3.71Å
626	V	98.4	Very high	96.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.6	-178.4	-173.4	0	0	0	0	109.2	P624 K664 M706 M748 R754	P624-V626 HydrophobicContact CG-CG2 3.84Å; P624-V626 PolarHBondContact O-N 3.35Å; V626-K664 WeakPolarHBondContact CA-O 3.46Å; V626-K664 HydrophobicContact CG1-CB 4.18Å; V626-K664 HydrophobicContact CG2-CB 4.32Å; V626-M706 HydrophobicContact CG1-CE 3.42Å; V626-M706 VanDerWaalsContact CG1-CE 3.42Å; V626-M748 HydrophobicContact CB-CE 4.39Å; V626-M748 HydrophobicContact CG1-CE 3.89Å; V626-M748 HydrophobicContact CG1-SD 3.72Å; V626-R754 PolarHBondContact O-N 3.27Å
627	Y	98.8	Very high	96.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.5	-176.5	-61.9	-65.7	0	0	0	111	A625 L657 P658 T663 K664 V665 G666 R754 V865 F867	A625-Y627 HydrophobicContact CB-CE2 3.99Å; Y627-L657 HydrophobicContact CE2-CB 4.35Å; Y627-P658 PolarHBondContact OH-O 2.72Å; Y627-T663 HydrophobicContact CD2-CG2 4.2Å; Y627-T663 HydrophobicContact CE2-CG2 4.23Å; Y627-K664 PolarHBondContact N-O 2.93Å; Y627-V665 CarbonylContact O-C 3.58Å; Y627-V665 VanDerWaalsContact O-CA 3.29Å; Y627-V665 WeakPolarHBondContact O-CA 3.35Å; Y627-G666 PolarHBondContact O-N 3.06Å; Y627-R754 WeakPolarHBondContact CA-O 3.31Å; Y627-R754 HydrophobicContact CD1-CB 4.05Å; Y627-R754 HydrophobicContact CE1-CB 4.3Å; Y627-V865 WeakPolarHBondContact OH-CG1 3.23Å; Y627-F867 HydrophobicContact CE1-CZ 4.22Å
628	L	98.9	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.7	174.7	179	57.8	0	0	0	110	V630 G666 L668 M706 A744 L747 M748 R754 V755 T756	L628-V630 HydrophobicContact CD2-CG2 4.4Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; L628-G666 WeakPolarHBondContact CA-O 3.42Å; L628-G666 VanDerWaalsContact CD1-C 3.41Å; L628-G666 WeakPolarHBondContact CD1-O 3.47Å; L628-L668 HydrophobicContact CD1-CG 4.15Å; L628-L668 HydrophobicContact CD2-CD1 4.41Å; L628-M706 HydrophobicContact CB-CE 4.34Å; L628-M706 HydrophobicContact CD1-SD 4.01Å; L628-A744 HydrophobicContact CD2-CB 3.76Å; L628-L747 HydrophobicContact CD1-CD2 4.26Å; L628-L747 HydrophobicContact CD2-CD2 4.1Å; L628-M748 HydrophobicContact CB-CE 4.12Å; L628-M748 HydrophobicContact CB-CG 4.15Å; L628-M748 HydrophobicContact CB-SD 3.65Å; L628-M748 HydrophobicContact CD2-CG 3.53Å; L628-M748 HydrophobicContact CD2-SD 4.05Å; L628-M748 HydrophobicContact CG-CG 4.49Å; L628-M748 HydrophobicContact CG-SD 4.49Å; L628-R754 PolarHBondContact N-O 3.16Å; L628-V755 HydrophobicContact CB-CG2 4.35Å; L628-V755 HydrophobicContact CD2-CG2 4.43Å; L628-V755 CarbonylContact O-C 3.41Å; L628-V755 WeakPolarHBondContact O-CA 3.38Å; L628-T756 PolarHBondContact O-N 2.82Å
629	F	98.9	Very high	97.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.6	176.1	-60.7	-81.4	0	0	0	109.8	L631 F646 L650 V665 G666 F667 L668 T756 F758 L861	F629-L631 HydrophobicContact CB-CD2 4.48Å; F629-F646 HydrophobicContact CB-CZ 3.97Å; F629-F646 AromaticContact CD1-CE2 3.65Å; F629-F646 HydrophobicContact CD1-CE2 3.65Å; F629-F646 AromaticContact CD1-CZ 3.53Å; F629-F646 HydrophobicContact CD1-CZ 3.53Å; F629-F646 AromaticContact CE1-CE2 3.99Å; F629-F646 HydrophobicContact CE1-CE2 3.99Å; F629-F646 HydrophobicContact CE1-CZ 4.13Å; F629-F646 HydrophobicContact CG-CE2 4.36Å; F629-F646 AromaticContact CG-CZ 3.77Å; F629-F646 HydrophobicContact CG-CZ 3.77Å; F629-L650 HydrophobicContact CD1-CD2 4.44Å; F629-L650 HydrophobicContact CD2-CD2 3.96Å; F629-L650 HydrophobicContact CE1-CD1 4.5Å; F629-L650 HydrophobicContact CE1-CD2 4.16Å; F629-L650 HydrophobicContact CE2-CD1 4.16Å; F629-L650 HydrophobicContact CE2-CD2 3.64Å; F629-L650 HydrophobicContact CG-CD2 4.35Å; F629-L650 HydrophobicContact CZ-CD1 3.76Å; F629-L650 HydrophobicContact CZ-CD2 3.75Å; F629-L650 HydrophobicContact CZ-CG 4.46Å; F629-V665 HydrophobicContact CD2-CG2 4.22Å; F629-V665 HydrophobicContact CE2-CG2 3.99Å; F629-G666 PolarHBondContact N-O 3.08Å; F629-G666 VanDerWaalsContact N-O 3.07Å; F629-F667 HydrophobicContact CB-CD1 3.85Å; F629-F667 HydrophobicContact CB-CE1 4.11Å; F629-F667 HydrophobicContact CD2-CD1 4.01Å; F629-F667 AromaticContact CD2-CE1 3.49Å; F629-F667 HydrophobicContact CD2-CE1 3.49Å; F629-F667 VanDerWaalsContact CD2-CE1 3.49Å; F629-F667 AromaticContact CD2-CZ 3.99Å; F629-F667 HydrophobicContact CD2-CZ 3.99Å; F629-F667 HydrophobicContact CE2-CE1 4.26Å; F629-F667 HydrophobicContact CE2-CZ 4.43Å; F629-F667 HydrophobicContact CG-CD1 4.32Å; F629-F667 HydrophobicContact CG-CE1 4.07Å; F629-F667 CarbonylContact O-C 3.56Å; F629-F667 WeakPolarHBondContact O-CA 3.3Å; F629-L668 PolarHBondContact O-N 3.28Å; F629-T756 HydrophobicContact CD1-CG2 4.39Å; F629-F758 HydrophobicContact CD1-CE2 4.37Å; F629-L861 HydrophobicContact CE1-CD2 4.03Å; F629-L861 HydrophobicContact CZ-CD2 4.1Å
630	V	98.9	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	112.7	-175.2	-174.7	0	0	0	0	108.1	L628 L668 F670 A740 A744 V755 T756 L757 F758	L628-V630 HydrophobicContact CD2-CG2 4.4Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; V630-L668 HydrophobicContact CG1-CB 4.31Å; V630-L668 HydrophobicContact CG1-CD1 4.44Å; V630-L668 HydrophobicContact CG2-CB 4.36Å; V630-L668 HydrophobicContact CG2-CD1 4.07Å; V630-L668 HydrophobicContact CG2-CG 4.41Å; V630-F670 HydrophobicContact CG1-CD1 3.92Å; V630-F670 HydrophobicContact CG1-CE1 3.74Å; V630-A740 HydrophobicContact CG1-CB 4.33Å; V630-A744 HydrophobicContact CG2-CB 4.05Å; V630-V755 HydrophobicContact CG2-CG1 3.73Å; V630-T756 PolarHBondContact N-O 3.47Å; V630-L757 HydrophobicContact CB-CD1 4.32Å; V630-L757 HydrophobicContact CG1-CD1 4.13Å; V630-L757 CarbonylContact O-C 3.56Å; V630-L757 WeakPolarHBondContact O-CA 3.11Å; V630-F758 PolarHBondContact O-N 2.7Å
631	L	98.9	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.7	-158.5	-55	173.5	0	0	0	112	F629 V633 L643 F646 L668 T669 F670 L723 F758	F629-L631 HydrophobicContact CB-CD2 4.48Å; L631-V633 PolarHBondContact O-N 2.88Å; L631-L643 HydrophobicContact CD1-CD1 3.94Å; L631-F646 HydrophobicContact CD1-CD1 4.21Å; L631-F646 HydrophobicContact CD1-CE1 3.69Å; L631-F646 HydrophobicContact CD1-CZ 4.45Å; L631-F646 HydrophobicContact CD2-CD1 4.03Å; L631-F646 HydrophobicContact CD2-CE1 3.74Å; L631-F646 HydrophobicContact CD2-CE2 4.43Å; L631-F646 HydrophobicContact CD2-CZ 3.95Å; L631-F646 HydrophobicContact CG-CE1 4.36Å; L631-L668 PolarHBondContact N-O 3Å; L631-T669 HydrophobicContact CB-CG2 3.98Å; L631-T669 HydrophobicContact CD1-CG2 4.18Å; L631-T669 CarbonylContact O-C 3.58Å; L631-T669 VanDerWaalsContact O-CA 3.22Å; L631-T669 WeakPolarHBondContact O-CA 3.49Å; L631-F670 VanDerWaalsContact O-CD1 3.29Å; L631-F670 WeakPolarHBondContact O-CD1 3.23Å; L631-F670 PolarHBondContact O-N 2.78Å; L631-L723 HydrophobicContact CD1-CD1 4.35Å; L631-F758 HydrophobicContact CD2-CB 4.15Å; L631-F758 HydrophobicContact CD2-CD2 3.43Å; L631-F758 VanDerWaalsContact CD2-CD2 3.43Å; L631-F758 HydrophobicContact CD2-CE2 4.04Å; L631-F758 HydrophobicContact CD2-CG 3.95Å
632	D	98.8	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	123	167.2	-174.4	-14	0	0	0	108.8	S634 A637 Y642 F670 F758 T760	D632-S634 VanDerWaalsContact OD1-CB 3.26Å; D632-S634 WeakPolarHBondContact OD1-CB 3.48Å; D632-S634 PolarHBondContact OD1-N 3Å; D632-S634 VanDerWaalsContact OD1-N 3.1Å; D632-S634 PolarHBondContact OD1-OG 3.31Å; D632-A637 HydrophobicContact CB-CB 4.19Å; D632-A637 WeakPolarHBondContact O-CB 3.26Å; D632-Y642 PolarHBondContact N-OH 3.23Å; D632-Y642 WeakPolarHBondContact O-CE1 3.14Å; D632-Y642 PolarHBondContact O-OH 2.89Å; D632-F670 HydrophobicContact CB-CE1 4.27Å; D632-F670 HydrophobicContact CB-CE2 4.23Å; D632-F670 HydrophobicContact CB-CZ 3.8Å; D632-F758 VanDerWaalsContact CB-O 3.27Å; D632-F758 WeakPolarHBondContact CB-O 3.38Å; D632-F758 PolarHBondContact N-O 3.3Å; D632-T760 PolarHBondContact OD2-N 2.86Å
633	V	98.6	Very high	97.9	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	9%	0.087	C	C	.	.			trans	-124.3	19	178.1	-63.4	0	0	0	0	112.7	L631 L643 T669 F670 D671 F727	L631-V633 PolarHBondContact O-N 2.88Å; V633-L643 HydrophobicContact CG1-CD2 4.11Å; V633-T669 HydrophobicContact CG1-CG2 3.64Å; V633-F670 WeakPolarHBondContact CG2-O 3.49Å; V633-F670 PolarHBondContact N-O 2.78Å; V633-D671 HydrophobicContact CG2-CB 4.31Å; V633-F727 HydrophobicContact CB-CB 4.28Å; V633-F727 HydrophobicContact CB-CD1 3.86Å; V633-F727 HydrophobicContact CB-CD2 4.04Å; V633-F727 HydrophobicContact CB-CE1 4.21Å; V633-F727 HydrophobicContact CB-CE2 4.37Å; V633-F727 HydrophobicContact CB-CG 3.77Å; V633-F727 HydrophobicContact CB-CZ 4.46Å; V633-F727 HydrophobicContact CG1-CD2 3.84Å; V633-F727 HydrophobicContact CG1-CE2 4.06Å; V633-F727 HydrophobicContact CG1-CG 4.1Å; V633-F727 HydrophobicContact CG2-CD1 3.72Å; V633-F727 HydrophobicContact CG2-CD2 4.4Å; V633-F727 HydrophobicContact CG2-CE1 3.62Å; V633-F727 HydrophobicContact CG2-CE2 4.32Å; V633-F727 HydrophobicContact CG2-CG 4.12Å; V633-F727 HydrophobicContact CG2-CZ 3.94Å
634	S	98.1	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-59.1	163	169.2	67	0	0	0	0	112	D632 N636 A637 V638 E732 H734 Q761	D632-S634 VanDerWaalsContact OD1-CB 3.26Å; D632-S634 WeakPolarHBondContact OD1-CB 3.48Å; D632-S634 PolarHBondContact OD1-N 3Å; D632-S634 VanDerWaalsContact OD1-N 3.1Å; D632-S634 PolarHBondContact OD1-OG 3.31Å; S634-N636 PolarHBondContact O-N 3.06Å; S634-A637 WeakPolarHBondContact O-CA 3.25Å; S634-A637 VanDerWaalsContact O-CB 3.31Å; S634-A637 WeakPolarHBondContact O-CB 3.42Å; S634-A637 PolarHBondContact O-N 3.21Å; S634-V638 PolarHBondContact O-N 3.34Å; S634-E732 CarbonylContact C-O 3.4Å; S634-E732 VanDerWaalsContact CA-O 3.29Å; S634-E732 WeakPolarHBondContact CA-O 3.28Å; S634-E732 WeakPolarHBondContact CB-O 3.39Å; S634-H734 VanDerWaalsContact CB-O 3.29Å; S634-H734 WeakPolarHBondContact CB-O 3.42Å; S634-Q761 PolarHBondContact OG-NE2 2.73Å
635	H	97.5	Very high	98.1	Very high	85 Å²	85	21.2 Å²	21.2	39%	0.394	11%	0.105	S	C	.	.	H	α-helix	trans	-51.8	-34.2	177.1	-177.4	-47.1	0	0	0	112.4	E639 E732	H635-E639 VanDerWaalsContact O-CB 3.32Å; H635-E639 WeakPolarHBondContact O-CB 3.48Å; H635-E639 PolarHBondContact O-N 3.03Å; H635-E732 PolarHBondContact N-O 3.45Å
636	N	96.8	Very high	98.1	Very high	47 Å²	47	21.1 Å²	21.1	25%	0.251	10%	0.104	S	C	.	.	H	α-helix	trans	-66.8	-40.7	177.1	-174.2	-96.6	0	0	0	112.1	S634 A640 T760 Q761	S634-N636 PolarHBondContact O-N 3.06Å; N636-A640 WeakPolarHBondContact O-CB 3.32Å; N636-A640 PolarHBondContact O-N 2.97Å; N636-A640 VanDerWaalsContact O-N 3.08Å; N636-T760 VanDerWaalsContact OD1-CB 3.3Å; N636-T760 WeakPolarHBondContact OD1-CB 3.45Å; N636-T760 PolarHBondContact OD1-O 2.79Å; N636-T760 PolarHBondContact OD1-OG1 2.9Å; N636-Q761 HydrophobicContact CB-CB 4.44Å; N636-Q761 HydrophobicContact CB-CG 4.24Å
637	A	97.7	Very high	98.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-67.2	-40.9	176	0	0	0	0	0	112.9	D632 S634 G641 Y642 T760	D632-A637 HydrophobicContact CB-CB 4.19Å; D632-A637 WeakPolarHBondContact O-CB 3.26Å; S634-A637 WeakPolarHBondContact O-CA 3.25Å; S634-A637 VanDerWaalsContact O-CB 3.31Å; S634-A637 WeakPolarHBondContact O-CB 3.42Å; S634-A637 PolarHBondContact O-N 3.21Å; A637-G641 PolarHBondContact O-N 3.41Å; A637-Y642 HydrophobicContact CB-CD1 4.36Å; A637-Y642 HydrophobicContact CB-CE1 3.72Å; A637-T760 WeakPolarHBondContact CA-OG1 3.46Å; A637-T760 HydrophobicContact CB-CG2 3.89Å; A637-T760 PolarHBondContact N-OG1 3.44Å
638	V	97.3	Very high	98.1	Very high	40 Å²	40	24.6 Å²	24.6	24%	0.242	12%	0.121	C	C	.	.	H	α-helix	trans	-64.9	-48.6	176.8	176.1	0	0	0	0	110.9	S634 A640 G641 F727	S634-V638 PolarHBondContact O-N 3.34Å; V638-A640 PolarHBondContact O-N 3.38Å; V638-G641 WeakPolarHBondContact O-CA 3.05Å; V638-G641 PolarHBondContact O-N 3.04Å; V638-F727 HydrophobicContact CG2-CB 4.02Å; V638-F727 WeakPolarHBondContact CG2-O 3.22Å
639	E	96.8	Very high	98.1	Very high	111 Å²	111	24.9 Å²	24.9	52%	0.519	12%	0.123	S	C	.	.	H	α-helix	trans	-61.7	-43.9	178.5	-177.2	68.5	-179.8	0	0	112.1	H635 G641 H842	H635-E639 VanDerWaalsContact O-CB 3.32Å; H635-E639 WeakPolarHBondContact O-CB 3.48Å; H635-E639 PolarHBondContact O-N 3.03Å; E639-G641 PolarHBondContact O-N 2.7Å; E639-G641 VanDerWaalsContact O-N 3.15Å; E639-H842 PolarHBondContact O-NE2 3.38Å
640	A	97.3	Very high	98.1	Very high	7 Å²	7	24.9 Å²	24.9	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-55.7	-33.1	174	0	0	0	0	0	112	N636 V638 F841 H843	N636-A640 WeakPolarHBondContact O-CB 3.32Å; N636-A640 PolarHBondContact O-N 2.97Å; N636-A640 VanDerWaalsContact O-N 3.08Å; V638-A640 PolarHBondContact O-N 3.38Å; A640-F841 HydrophobicContact CB-CD1 4.22Å; A640-F841 WeakPolarHBondContact O-CE1 3.22Å; A640-H843 PolarHBondContact O-N 2.89Å; A640-H843 PolarHBondContact O-ND1 2.81Å
641	G	97.4	Very high	98	Very high	11 Å²	11	27.7 Å²	27.7	11%	0.113	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	12.5	173.9	0	0	0	0	0	114.7	A637 V638 E639 L643 Y645	A637-G641 PolarHBondContact O-N 3.41Å; V638-G641 WeakPolarHBondContact O-CA 3.05Å; V638-G641 PolarHBondContact O-N 3.04Å; E639-G641 PolarHBondContact O-N 2.7Å; E639-G641 VanDerWaalsContact O-N 3.15Å; G641-L643 VanDerWaalsContact C-N 3.31Å; G641-L643 PolarHBondContact O-N 2.88Å; G641-Y645 WeakPolarHBondContact O-CD2 3.46Å
642	Y	98.4	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-35.4	-175.1	88.9	-88.7	0	0	0	112.6	D632 A637 K644 Y645 F646 F758 T760 L814 F853	D632-Y642 PolarHBondContact N-OH 3.23Å; D632-Y642 WeakPolarHBondContact O-CE1 3.14Å; D632-Y642 PolarHBondContact O-OH 2.89Å; A637-Y642 HydrophobicContact CB-CD1 4.36Å; A637-Y642 HydrophobicContact CB-CE1 3.72Å; Y642-K644 PolarHBondContact O-N 2.97Å; Y642-Y645 PolarHBondContact O-N 2.94Å; Y642-Y645 VanDerWaalsContact O-N 3.11Å; Y642-F646 HydrophobicContact CD2-CB 4.28Å; Y642-F646 PolarHBondContact O-N 3.11Å; Y642-F758 HydrophobicContact CD2-CB 4.45Å; Y642-F758 AromaticContact CD2-CD1 3.94Å; Y642-F758 HydrophobicContact CD2-CD1 3.94Å; Y642-F758 HydrophobicContact CD2-CG 4.48Å; Y642-F758 HydrophobicContact CE2-CB 3.53Å; Y642-F758 AromaticContact CE2-CD1 3.67Å; Y642-F758 HydrophobicContact CE2-CD1 3.67Å; Y642-F758 AromaticContact CE2-CG 3.77Å; Y642-F758 HydrophobicContact CE2-CG 3.77Å; Y642-T760 HydrophobicContact CD1-CG2 3.67Å; Y642-T760 HydrophobicContact CE1-CG2 3.67Å; Y642-L814 HydrophobicContact CD2-CD1 4.43Å; Y642-L814 HydrophobicContact CG-CD1 4.42Å; Y642-L814 HydrophobicContact CG-CD2 4.26Å; Y642-F853 HydrophobicContact CD2-CZ 4.39Å
643	L	98.4	Very high	98	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-55.7	-37.9	-174.4	179.7	63.6	0	0	0	112.2	L631 V633 G641 F646 C647 F727	L631-L643 HydrophobicContact CD1-CD1 3.94Å; V633-L643 HydrophobicContact CG1-CD2 4.11Å; G641-L643 VanDerWaalsContact C-N 3.31Å; G641-L643 PolarHBondContact O-N 2.88Å; L643-F646 HydrophobicContact CD1-CD1 4.36Å; L643-C647 WeakPolarHBondContact O-CB 3.47Å; L643-C647 PolarHBondContact O-N 2.9Å; L643-C647 PolarHBondContact O-SG 2.82Å; L643-F727 HydrophobicContact CD2-CD2 4.33Å
644	K	98	Very high	97.9	Very high	85 Å²	85	34.3 Å²	34.3	37%	0.37	17%	0.168	S	C	.	.	H	α-helix	trans	-58.6	-57.9	175.7	-172.5	-159	174.7	-113	0	111.1	Y642 F646 C647 E648 P724	Y642-K644 PolarHBondContact O-N 2.97Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.12Å; K644-C647 PolarHBondContact O-N 2.86Å; K644-C647 VanDerWaalsContact O-N 3.09Å; K644-E648 WeakPolarHBondContact CE-OE1 3.34Å; K644-E648 WeakPolarHBondContact CE-OE2 3.22Å; K644-E648 IonicContact NZ-OE1 2.77Å; K644-E648 PolarHBondContact NZ-OE1 2.94Å; K644-E648 IonicContact NZ-OE2 3.91Å; K644-E648 PolarHBondContact NZ-OE2 2.92Å; K644-E648 WeakPolarHBondContact O-CG 3.01Å; K644-E648 PolarHBondContact O-N 2.84Å; K644-P724 HydrophobicContact CB-CB 4.35Å
645	Y	98.1	Very high	97.8	Very high	47 Å²	47	40.5 Å²	40.5	18%	0.184	20%	0.201	C	C	.	.	H	α-helix	trans	-71.1	-27.3	-175	-61.8	-81.2	0	0	0	112.8	G641 Y642 E648 S649 H843 L850	G641-Y645 WeakPolarHBondContact O-CD2 3.46Å; Y642-Y645 PolarHBondContact O-N 2.94Å; Y642-Y645 VanDerWaalsContact O-N 3.11Å; Y645-E648 VanDerWaalsContact CD1-OE2 3.26Å; Y645-E648 WeakPolarHBondContact CD1-OE2 3.28Å; Y645-S649 WeakPolarHBondContact O-CB 3.39Å; Y645-S649 PolarHBondContact O-N 2.84Å; Y645-H843 HydrophobicContact CD2-CB 4.28Å; Y645-H843 HydrophobicContact CE2-CB 3.6Å; Y645-L850 HydrophobicContact CD1-CD1 3.84Å; Y645-L850 HydrophobicContact CD1-CD2 4.39Å; Y645-L850 HydrophobicContact CD2-CD1 3.59Å; Y645-L850 HydrophobicContact CD2-CD2 4.33Å; Y645-L850 HydrophobicContact CE1-CD1 4.29Å; Y645-L850 HydrophobicContact CE1-CD2 4Å; Y645-L850 HydrophobicContact CE2-CD1 4.09Å; Y645-L850 HydrophobicContact CE2-CD2 3.96Å; Y645-L850 HydrophobicContact CG-CD1 3.45Å; Y645-L850 VanDerWaalsContact CG-CD1 3.45Å
646	F	98.6	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-49.7	166	164.9	-99	0	0	0	111.2	F629 L631 Y642 L643 K644 S649 L650 L720 F758 F853 L857	F629-F646 HydrophobicContact CB-CZ 3.97Å; F629-F646 AromaticContact CD1-CE2 3.65Å; F629-F646 HydrophobicContact CD1-CE2 3.65Å; F629-F646 AromaticContact CD1-CZ 3.53Å; F629-F646 HydrophobicContact CD1-CZ 3.53Å; F629-F646 AromaticContact CE1-CE2 3.99Å; F629-F646 HydrophobicContact CE1-CE2 3.99Å; F629-F646 HydrophobicContact CE1-CZ 4.13Å; F629-F646 HydrophobicContact CG-CE2 4.36Å; F629-F646 AromaticContact CG-CZ 3.77Å; F629-F646 HydrophobicContact CG-CZ 3.77Å; L631-F646 HydrophobicContact CD1-CD1 4.21Å; L631-F646 HydrophobicContact CD1-CE1 3.69Å; L631-F646 HydrophobicContact CD1-CZ 4.45Å; L631-F646 HydrophobicContact CD2-CD1 4.03Å; L631-F646 HydrophobicContact CD2-CE1 3.74Å; L631-F646 HydrophobicContact CD2-CE2 4.43Å; L631-F646 HydrophobicContact CD2-CZ 3.95Å; L631-F646 HydrophobicContact CG-CE1 4.36Å; Y642-F646 HydrophobicContact CD2-CB 4.28Å; Y642-F646 PolarHBondContact O-N 3.11Å; L643-F646 HydrophobicContact CD1-CD1 4.36Å; K644-F646 VanDerWaalsContact C-N 3.31Å; K644-F646 PolarHBondContact O-N 3.12Å; F646-S649 PolarHBondContact O-N 2.75Å; F646-L650 HydrophobicContact CE1-CD2 4.13Å; F646-L650 HydrophobicContact CE2-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CD2 3.54Å; F646-L650 VanDerWaalsContact O-CB 3.29Å; F646-L650 WeakPolarHBondContact O-CB 3.32Å; F646-L650 PolarHBondContact O-N 2.97Å; F646-L720 HydrophobicContact CE1-CD2 4.38Å; F646-F758 AromaticContact CD2-CE1 3.79Å; F646-F758 HydrophobicContact CD2-CE1 3.79Å; F646-F758 AromaticContact CD2-CE2 3.75Å; F646-F758 HydrophobicContact CD2-CE2 3.75Å; F646-F758 AromaticContact CD2-CZ 3.32Å; F646-F758 HydrophobicContact CD2-CZ 3.32Å; F646-F758 HydrophobicContact CE2-CD2 4.46Å; F646-F758 HydrophobicContact CE2-CE1 4.39Å; F646-F758 AromaticContact CE2-CE2 3.53Å; F646-F758 HydrophobicContact CE2-CE2 3.53Å; F646-F758 AromaticContact CE2-CZ 3.5Å; F646-F758 HydrophobicContact CE2-CZ 3.5Å; F646-F758 HydrophobicContact CG-CE1 4.49Å; F646-F758 HydrophobicContact CG-CZ 4.34Å; F646-F758 HydrophobicContact CZ-CE2 4.3Å; F646-F853 HydrophobicContact CB-CZ 4.32Å; F646-L857 HydrophobicContact CD2-CD2 4.06Å
647	C	98.7	Very high	97.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-43	179.7	-65.9	0	0	0	0	112	L643 K644 L650 L651 L720 P724	L643-C647 WeakPolarHBondContact O-CB 3.47Å; L643-C647 PolarHBondContact O-N 2.9Å; L643-C647 PolarHBondContact O-SG 2.82Å; K644-C647 PolarHBondContact O-N 2.86Å; K644-C647 VanDerWaalsContact O-N 3.09Å; C647-L650 PolarHBondContact O-N 3.1Å; C647-L651 WeakPolarHBondContact O-CB 3.35Å; C647-L651 VanDerWaalsContact O-CG 3.25Å; C647-L651 WeakPolarHBondContact O-CG 3.17Å; C647-L651 PolarHBondContact O-N 2.76Å; C647-L720 HydrophobicContact CB-CB 4.29Å; C647-L720 HydrophobicContact CB-CD2 4.28Å; C647-L720 VanDerWaalsContact CB-O 3.26Å; C647-L720 WeakPolarHBondContact CB-O 3.26Å; C647-P724 HydrophobicContact CB-CG 4.2Å
648	E	98.4	Very high	97.9	Very high	71 Å²	71	40.6 Å²	40.6	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-58	-52.5	174.6	-70.6	174.1	141.4	0	0	111.2	K644 Y645 L650 L651 E652	K644-E648 WeakPolarHBondContact CE-OE1 3.34Å; K644-E648 WeakPolarHBondContact CE-OE2 3.22Å; K644-E648 IonicContact NZ-OE1 2.77Å; K644-E648 PolarHBondContact NZ-OE1 2.94Å; K644-E648 IonicContact NZ-OE2 3.91Å; K644-E648 PolarHBondContact NZ-OE2 2.92Å; K644-E648 WeakPolarHBondContact O-CG 3.01Å; K644-E648 PolarHBondContact O-N 2.84Å; Y645-E648 VanDerWaalsContact CD1-OE2 3.26Å; Y645-E648 WeakPolarHBondContact CD1-OE2 3.28Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 3.46Å; E648-L651 WeakPolarHBondContact O-CB 3.02Å; E648-L651 PolarHBondContact O-N 2.7Å; E648-E652 WeakPolarHBondContact O-CG 3.09Å; E648-E652 PolarHBondContact O-N 2.87Å
649	S	98.1	Very high	97.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-65.3	-33.9	-179.9	-175.2	0	0	0	0	113.3	Y645 F646 N653	Y645-S649 WeakPolarHBondContact O-CB 3.39Å; Y645-S649 PolarHBondContact O-N 2.84Å; F646-S649 PolarHBondContact O-N 2.75Å; S649-N653 VanDerWaalsContact O-CB 3.29Å; S649-N653 WeakPolarHBondContact O-CB 3.15Å; S649-N653 PolarHBondContact O-N 3.46Å; S649-N653 VanDerWaalsContact O-N 3.12Å; S649-N653 PolarHBondContact O-ND2 3.13Å
650	L	98.6	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.3	-33.9	175.8	-177.3	56.2	0	0	0	112.4	F629 F646 C647 E648 N653 L654 L657 F667 L720 L861	F629-L650 HydrophobicContact CD1-CD2 4.44Å; F629-L650 HydrophobicContact CD2-CD2 3.96Å; F629-L650 HydrophobicContact CE1-CD1 4.5Å; F629-L650 HydrophobicContact CE1-CD2 4.16Å; F629-L650 HydrophobicContact CE2-CD1 4.16Å; F629-L650 HydrophobicContact CE2-CD2 3.64Å; F629-L650 HydrophobicContact CG-CD2 4.35Å; F629-L650 HydrophobicContact CZ-CD1 3.76Å; F629-L650 HydrophobicContact CZ-CD2 3.75Å; F629-L650 HydrophobicContact CZ-CG 4.46Å; F646-L650 HydrophobicContact CE1-CD2 4.13Å; F646-L650 HydrophobicContact CE2-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CD2 3.54Å; F646-L650 VanDerWaalsContact O-CB 3.29Å; F646-L650 WeakPolarHBondContact O-CB 3.32Å; F646-L650 PolarHBondContact O-N 2.97Å; C647-L650 PolarHBondContact O-N 3.1Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-L650 PolarHBondContact O-N 3.46Å; L650-N653 CarbonylContact O-C 3.23Å; L650-N653 PolarHBondContact O-N 2.85Å; L650-L654 HydrophobicContact CD1-CD1 4.36Å; L650-L654 HydrophobicContact CG-CD1 4.48Å; L650-L654 WeakPolarHBondContact O-CA 3.46Å; L650-L654 WeakPolarHBondContact O-CB 3.24Å; L650-L654 PolarHBondContact O-N 3.33Å; L650-L657 HydrophobicContact CD1-CD1 4.28Å; L650-L657 HydrophobicContact CD1-CD2 4.32Å; L650-F667 HydrophobicContact CD2-CE1 3.81Å; L650-F667 HydrophobicContact CD2-CZ 4.11Å; L650-L720 HydrophobicContact CB-CD1 4.41Å; L650-L720 HydrophobicContact CD2-CD1 4.09Å; L650-L720 HydrophobicContact CD2-CD2 3.86Å; L650-L720 HydrophobicContact CG-CD1 3.95Å; L650-L720 HydrophobicContact CG-CD2 4.45Å; L650-L861 HydrophobicContact CB-CD1 4.34Å; L650-L861 HydrophobicContact CD1-CD1 3.99Å; L650-L861 HydrophobicContact CD1-CD2 4.11Å
651	L	98.5	Very high	97.8	Very high	59 Å²	59	38.8 Å²	38.8	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-62.3	-46.8	170.5	-77.6	165.2	0	0	0	111.2	C647 E648 N653 L654 K717 L720	C647-L651 WeakPolarHBondContact O-CB 3.35Å; C647-L651 VanDerWaalsContact O-CG 3.25Å; C647-L651 WeakPolarHBondContact O-CG 3.17Å; C647-L651 PolarHBondContact O-N 2.76Å; E648-L651 WeakPolarHBondContact O-CB 3.02Å; E648-L651 PolarHBondContact O-N 2.7Å; L651-N653 PolarHBondContact O-N 3.19Å; L651-L654 PolarHBondContact O-N 2.96Å; L651-K717 HydrophobicContact CD2-CB 4.02Å; L651-K717 HydrophobicContact CD2-CG 3.85Å; L651-L720 HydrophobicContact CD1-CB 4.09Å; L651-L720 HydrophobicContact CD2-CB 3.92Å; L651-L720 HydrophobicContact CD2-CD1 3.98Å; L651-L720 HydrophobicContact CG-CB 3.83Å; L651-L720 HydrophobicContact CG-CD1 4.03Å
652	E	98.2	Very high	97.8	Very high	136 Å²	136	43.2 Å²	43.2	64%	0.636	22%	0.217	S	C	*	.	H	α-helix	trans	-62.8	-27.7	176.8	-71.6	174.1	178.4	0	0	113.5	E648 K656	E648-E652 WeakPolarHBondContact O-CG 3.09Å; E648-E652 PolarHBondContact O-N 2.87Å; E652-K656 WeakPolarHBondContact O-CE 3.47Å
653	N	98.1	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-106.5	2.4	-176.4	-78.1	-65.3	0	0	0	115	S649 L650 L651 D655 K656 L657 D858 L861 T862	S649-N653 VanDerWaalsContact O-CB 3.29Å; S649-N653 WeakPolarHBondContact O-CB 3.15Å; S649-N653 PolarHBondContact O-N 3.46Å; S649-N653 VanDerWaalsContact O-N 3.12Å; S649-N653 PolarHBondContact O-ND2 3.13Å; L650-N653 CarbonylContact O-C 3.23Å; L650-N653 PolarHBondContact O-N 2.85Å; L651-N653 PolarHBondContact O-N 3.19Å; N653-D655 VanDerWaalsContact C-N 3.33Å; N653-D655 PolarHBondContact O-N 3.43Å; N653-K656 CarbonylContact O-C 3.42Å; N653-K656 WeakPolarHBondContact O-CA 3.32Å; N653-K656 WeakPolarHBondContact O-CB 3.47Å; N653-K656 PolarHBondContact O-N 3.43Å; N653-K656 WeakPolarHBondContact OD1-CD 3.34Å; N653-K656 WeakPolarHBondContact OD1-CE 3.12Å; N653-K656 PolarHBondContact OD1-NZ 3.47Å; N653-L657 PolarHBondContact O-N 2.9Å; N653-L657 VanDerWaalsContact O-N 3.13Å; N653-D858 PolarHBondContact ND2-OD1 3.02Å; N653-D858 PolarHBondContact OD1-OD1 3.3Å; N653-D858 VanDerWaalsContact OD1-OD1 3.09Å; N653-L861 HydrophobicContact CB-CB 4.12Å; N653-L861 HydrophobicContact CB-CD1 3.87Å; N653-T862 WeakPolarHBondContact OD1-CG2 3.29Å
654	L	97.1	Very high	97.8	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.026	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.1	-41.8	-170.9	-161.2	66.1	0	0	0	112.9	L650 L651 K656 L657 L709 K713 V716 K717	L650-L654 HydrophobicContact CD1-CD1 4.36Å; L650-L654 HydrophobicContact CG-CD1 4.48Å; L650-L654 WeakPolarHBondContact O-CA 3.46Å; L650-L654 WeakPolarHBondContact O-CB 3.24Å; L650-L654 PolarHBondContact O-N 3.33Å; L651-L654 PolarHBondContact O-N 2.96Å; L654-K656 VanDerWaalsContact C-N 3.34Å; L654-L657 HydrophobicContact CD1-CD1 4.18Å; L654-L709 HydrophobicContact CD1-CD1 3.7Å; L654-L709 HydrophobicContact CD2-CD1 4.23Å; L654-L709 HydrophobicContact CG-CD1 3.89Å; L654-K713 HydrophobicContact CD2-CG 4.27Å; L654-V716 HydrophobicContact CD1-CG1 4Å; L654-V716 HydrophobicContact CD2-CG1 4.08Å; L654-K717 HydrophobicContact CD2-CG 4.21Å
655	D	96.5	Very high	97.8	Very high	129 Å²	129	41.5 Å²	41.5	69%	0.69	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-79.4	-12.7	174.5	-73.1	-62.3	0	0	0	114	N653 K713	N653-D655 VanDerWaalsContact C-N 3.33Å; N653-D655 PolarHBondContact O-N 3.43Å; D655-K713 IonicContact OD1-NZ 2.7Å; D655-K713 PolarHBondContact OD1-NZ 2.86Å; D655-K713 IonicContact OD2-NZ 2.68Å; D655-K713 PolarHBondContact OD2-NZ 2.71Å
656	K	97.9	Very high	97.8	Very high	106 Å²	106	39.3 Å²	39.3	46%	0.461	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-91.4	-9.9	178.2	-50.8	-170.5	-133.7	149.5	0	112.7	E652 N653 L654 D858 T862	E652-K656 WeakPolarHBondContact O-CE 3.47Å; N653-K656 CarbonylContact O-C 3.42Å; N653-K656 WeakPolarHBondContact O-CA 3.32Å; N653-K656 WeakPolarHBondContact O-CB 3.47Å; N653-K656 PolarHBondContact O-N 3.43Å; N653-K656 WeakPolarHBondContact OD1-CD 3.34Å; N653-K656 WeakPolarHBondContact OD1-CE 3.12Å; N653-K656 PolarHBondContact OD1-NZ 3.47Å; L654-K656 VanDerWaalsContact C-N 3.34Å; K656-D858 IonicContact NZ-OD1 2.83Å; K656-D858 PolarHBondContact NZ-OD1 2.89Å; K656-T862 HydrophobicContact CB-CG2 3.88Å; K656-T862 HydrophobicContact CD-CG2 4Å
657	L	97.9	Very high	97.8	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.073	20%	0.202	C	C	.	.	S	Bend	trans	-56.6	129.6	179.1	-68	179.7	0	0	0	111.3	Y627 L650 N653 L654 G659 L709 L861	Y627-L657 HydrophobicContact CE2-CB 4.35Å; L650-L657 HydrophobicContact CD1-CD1 4.28Å; L650-L657 HydrophobicContact CD1-CD2 4.32Å; N653-L657 PolarHBondContact O-N 2.9Å; N653-L657 VanDerWaalsContact O-N 3.13Å; L654-L657 HydrophobicContact CD1-CD1 4.18Å; L657-G659 PolarHBondContact O-N 2.98Å; L657-L709 HydrophobicContact CD1-CD2 3.88Å; L657-L861 HydrophobicContact CD2-CB 4.1Å; L657-L861 HydrophobicContact CD2-CD2 4.04Å
658	P	98	Very high	97.8	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.097	20%	0.201	C	C	.	.	S	Bend	trans	-62.5	96.6	-179.2	-21.8	28.6	0	0	0	113	A625 Y627 L861 R863 V865 S934	A625-P658 VanDerWaalsContact CB-O 3.28Å; A625-P658 WeakPolarHBondContact CB-O 3.31Å; Y627-P658 PolarHBondContact OH-O 2.72Å; P658-L861 WeakPolarHBondContact CD-O 3.29Å; P658-R863 VanDerWaalsContact CG-O 3.22Å; P658-R863 WeakPolarHBondContact CG-O 3.36Å; P658-V865 HydrophobicContact CB-CG1 4.13Å; P658-V865 HydrophobicContact CG-CG1 4.44Å; P658-S934 WeakPolarHBondContact O-CB 3.45Å
659	G	96.8	Very high	97.9	Very high	10 Å²	10	36 Å²	36	10%	0.103	19%	0.186	C	C	.	.			trans	-150.9	174	-173.7	0	0	0	0	0	116	L657 T663 S934 K935	L657-G659 PolarHBondContact O-N 2.98Å; G659-T663 WeakPolarHBondContact CA-OG1 3.17Å; G659-S934 CarbonylContact C-O 3.55Å; G659-K935 VanDerWaalsContact O-CD 3.26Å; G659-K935 WeakPolarHBondContact O-CD 3.36Å; G659-K935 VanDerWaalsContact O-CE 3.3Å; G659-K935 WeakPolarHBondContact O-CE 3.19Å; G659-K935 PolarHBondContact O-NZ 3.42Å
660	D	95.7	Very high	97.9	Very high	42 Å²	42	35.8 Å²	35.8	23%	0.225	18%	0.184	C	C	.	.			trans	-121.5	-173.9	165.9	69	52.9	0	0	0	110.1	R662 T663 S934 K935 G936	D660-R662 PolarHBondContact O-N 3.06Å; D660-R662 VanDerWaalsContact OD1-CB 3.24Å; D660-R662 WeakPolarHBondContact OD1-CB 3.39Å; D660-R662 VanDerWaalsContact OD1-CG 3.3Å; D660-R662 WeakPolarHBondContact OD1-CG 3.17Å; D660-R662 IonicContact OD1-CZ 3.7Å; D660-R662 PolarHBondContact OD1-N 3.43Å; D660-R662 IonicContact OD1-NE 2.75Å; D660-R662 PolarHBondContact OD1-NE 3.47Å; D660-R662 IonicContact OD1-NH2 3.54Å; D660-R662 IonicContact OD2-CZ 3.15Å; D660-R662 IonicContact OD2-NE 3.9Å; D660-R662 PolarHBondContact OD2-NE 3.1Å; D660-R662 IonicContact OD2-NH2 3.83Å; D660-R662 PolarHBondContact OD2-NH2 2.9Å; D660-T663 PolarHBondContact N-OG1 2.91Å; D660-T663 WeakPolarHBondContact O-CB 3.41Å; D660-T663 PolarHBondContact O-N 3.1Å; D660-T663 PolarHBondContact O-OG1 2.79Å; D660-S934 PolarHBondContact N-O 2.89Å; D660-K935 HydrophobicContact CB-CD 4.32Å; D660-G936 PolarHBondContact OD2-N 3.23Å
661	A	96.8	Very high	97.9	Very high	68 Å²	68	36.2 Å²	36.2	56%	0.562	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-7	-176.2	0	0	0	0	0	114.7	N708	A661-N708 PolarHBondContact O-ND2 3.25Å
662	R	97.3	Very high	97.8	Very high	105 Å²	105	35.8 Å²	35.8	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2	175.6	-49.1	170.2	-62	144.8	7.7	113.3	P622 Q623 P624 D660 K664	P622-R662 PolarHBondContact O-NH1 2.85Å; Q623-R662 PolarHBondContact O-NH2 3.28Å; P624-R662 HydrophobicContact CB-CB 3.83Å; P624-R662 VanDerWaalsContact CB-O 3.31Å; P624-R662 WeakPolarHBondContact CB-O 3.25Å; D660-R662 PolarHBondContact O-N 3.06Å; D660-R662 VanDerWaalsContact OD1-CB 3.24Å; D660-R662 WeakPolarHBondContact OD1-CB 3.39Å; D660-R662 VanDerWaalsContact OD1-CG 3.3Å; D660-R662 WeakPolarHBondContact OD1-CG 3.17Å; D660-R662 IonicContact OD1-CZ 3.7Å; D660-R662 PolarHBondContact OD1-N 3.43Å; D660-R662 IonicContact OD1-NE 2.75Å; D660-R662 PolarHBondContact OD1-NE 3.47Å; D660-R662 IonicContact OD1-NH2 3.54Å; D660-R662 IonicContact OD2-CZ 3.15Å; D660-R662 IonicContact OD2-NE 3.9Å; D660-R662 PolarHBondContact OD2-NE 3.1Å; D660-R662 IonicContact OD2-NH2 3.83Å; D660-R662 PolarHBondContact OD2-NH2 2.9Å; R662-K664 PolarHBondContact O-N 3.13Å
663	T	98.3	Very high	97.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.031	16%	0.159	C	C	.	.			trans	-60.9	126.4	-172.9	-77	0	0	0	0	111.6	A625 Y627 G659 D660 N708 L709	A625-T663 HydrophobicContact CB-CG2 4.42Å; A625-T663 VanDerWaalsContact O-CA 3.31Å; A625-T663 WeakPolarHBondContact O-CA 3.44Å; Y627-T663 HydrophobicContact CD2-CG2 4.2Å; Y627-T663 HydrophobicContact CE2-CG2 4.23Å; G659-T663 WeakPolarHBondContact CA-OG1 3.17Å; D660-T663 PolarHBondContact N-OG1 2.91Å; D660-T663 WeakPolarHBondContact O-CB 3.41Å; D660-T663 PolarHBondContact O-N 3.1Å; D660-T663 PolarHBondContact O-OG1 2.79Å; T663-N708 PolarHBondContact O-OD1 3.15Å; T663-L709 HydrophobicContact CG2-CB 4.26Å; T663-L709 HydrophobicContact CG2-CD2 4.09Å; T663-L709 WeakPolarHBondContact O-CB 3.24Å; T663-L709 PolarHBondContact O-N 2.95Å
664	K	98.1	Very high	97.7	Very high	53 Å²	53	30.2 Å²	30.2	23%	0.23	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.8	179.4	-74.6	-172.5	161.6	-140.5	0	111.9	A625 V626 Y627 R662 D703 M706 V707	A625-K664 PolarHBondContact O-N 3.48Å; V626-K664 WeakPolarHBondContact CA-O 3.46Å; V626-K664 HydrophobicContact CG1-CB 4.18Å; V626-K664 HydrophobicContact CG2-CB 4.32Å; Y627-K664 PolarHBondContact N-O 2.93Å; R662-K664 PolarHBondContact O-N 3.13Å; K664-D703 IonicContact NZ-OD1 3.24Å; K664-M706 HydrophobicContact CD-CB 4.42Å; K664-M706 VanDerWaalsContact CD-O 3.23Å; K664-M706 WeakPolarHBondContact CD-O 3.34Å; K664-M706 VanDerWaalsContact CE-O 3.25Å; K664-M706 WeakPolarHBondContact CE-O 3.32Å; K664-M706 PolarHBondContact NZ-O 2.96Å; K664-V707 CarbonylContact C-O 3.58Å; K664-V707 WeakPolarHBondContact CA-O 3.46Å
665	V	98.5	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.8	173	71.2	0	0	0	0	110.1	Y627 F629 F667 V707 L709 V716	Y627-V665 CarbonylContact O-C 3.58Å; Y627-V665 VanDerWaalsContact O-CA 3.29Å; Y627-V665 WeakPolarHBondContact O-CA 3.35Å; F629-V665 HydrophobicContact CD2-CG2 4.22Å; F629-V665 HydrophobicContact CE2-CG2 3.99Å; V665-F667 HydrophobicContact CG1-CE2 4.32Å; V665-F667 HydrophobicContact CG2-CE2 3.7Å; V665-F667 HydrophobicContact CG2-CZ 3.83Å; V665-V707 HydrophobicContact CG1-CG2 4.26Å; V665-V707 PolarHBondContact N-O 2.81Å; V665-V707 PolarHBondContact O-N 2.82Å; V665-L709 HydrophobicContact CB-CD1 4.44Å; V665-L709 HydrophobicContact CG1-CB 4.21Å; V665-L709 HydrophobicContact CG1-CD1 3.9Å; V665-V716 HydrophobicContact CG1-CG2 3.74Å
666	G	98.5	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.5	169.7	0	0	0	0	0	111.4	Y627 L628 F629 L705	Y627-G666 PolarHBondContact O-N 3.06Å; L628-G666 WeakPolarHBondContact CA-O 3.42Å; L628-G666 VanDerWaalsContact CD1-C 3.41Å; L628-G666 WeakPolarHBondContact CD1-O 3.47Å; F629-G666 PolarHBondContact N-O 3.08Å; F629-G666 VanDerWaalsContact N-O 3.07Å; G666-L705 WeakPolarHBondContact CA-O 3.11Å
667	F	98.8	Very high	97.9	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.9	-176.1	-63.2	-89.5	0	0	0	110.6	F629 L650 V665 Y677 L679 V716 L719 L720	F629-F667 HydrophobicContact CB-CD1 3.85Å; F629-F667 HydrophobicContact CB-CE1 4.11Å; F629-F667 HydrophobicContact CD2-CD1 4.01Å; F629-F667 AromaticContact CD2-CE1 3.49Å; F629-F667 HydrophobicContact CD2-CE1 3.49Å; F629-F667 VanDerWaalsContact CD2-CE1 3.49Å; F629-F667 AromaticContact CD2-CZ 3.99Å; F629-F667 HydrophobicContact CD2-CZ 3.99Å; F629-F667 HydrophobicContact CE2-CE1 4.26Å; F629-F667 HydrophobicContact CE2-CZ 4.43Å; F629-F667 HydrophobicContact CG-CD1 4.32Å; F629-F667 HydrophobicContact CG-CE1 4.07Å; F629-F667 CarbonylContact O-C 3.56Å; F629-F667 WeakPolarHBondContact O-CA 3.3Å; L650-F667 HydrophobicContact CD2-CE1 3.81Å; L650-F667 HydrophobicContact CD2-CZ 4.11Å; V665-F667 HydrophobicContact CG1-CE2 4.32Å; V665-F667 HydrophobicContact CG2-CE2 3.7Å; V665-F667 HydrophobicContact CG2-CZ 3.83Å; F667-Y677 HydrophobicContact CB-CD2 3.97Å; F667-L679 HydrophobicContact CD2-CD1 3.82Å; F667-L679 HydrophobicContact CE2-CD1 4.23Å; F667-V716 HydrophobicContact CE2-CG1 3.89Å; F667-V716 HydrophobicContact CE2-CG2 4.39Å; F667-V716 HydrophobicContact CZ-CG1 4Å; F667-L719 HydrophobicContact CB-CD2 3.92Å; F667-L719 HydrophobicContact CD2-CD2 3.69Å; F667-L719 HydrophobicContact CE2-CD2 4.38Å; F667-L719 HydrophobicContact CG-CD2 3.8Å; F667-L720 HydrophobicContact CE1-CD2 3.79Å; F667-L720 HydrophobicContact CZ-CD1 4.47Å; F667-L720 HydrophobicContact CZ-CD2 4.13Å; F667-L720 HydrophobicContact CZ-CG 4.4Å
668	L	98.6	Very high	97.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.1	164.5	-54.8	180	0	0	0	109.1	L628 F629 V630 L631 H675 F676 A743 A744 L747	L628-L668 HydrophobicContact CD1-CG 4.15Å; L628-L668 HydrophobicContact CD2-CD1 4.41Å; F629-L668 PolarHBondContact O-N 3.28Å; V630-L668 HydrophobicContact CG1-CB 4.31Å; V630-L668 HydrophobicContact CG1-CD1 4.44Å; V630-L668 HydrophobicContact CG2-CB 4.36Å; V630-L668 HydrophobicContact CG2-CD1 4.07Å; V630-L668 HydrophobicContact CG2-CG 4.41Å; L631-L668 PolarHBondContact N-O 3Å; L668-H675 VanDerWaalsContact CA-O 3.26Å; L668-H675 WeakPolarHBondContact CA-O 3.37Å; L668-F676 HydrophobicContact CD2-CB 4.36Å; L668-F676 HydrophobicContact CD2-CD1 3.18Å; L668-F676 HydrophobicContact CD2-CE1 3.6Å; L668-F676 HydrophobicContact CD2-CG 3.9Å; L668-A743 HydrophobicContact CD1-CB 4.32Å; L668-A744 HydrophobicContact CD1-CB 4.07Å; L668-L747 HydrophobicContact CD2-CD2 4.47Å
669	T	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	156.9	158.9	63.3	0	0	0	0	109.3	L631 V633 H675 Y677 L723 F727	L631-T669 HydrophobicContact CB-CG2 3.98Å; L631-T669 HydrophobicContact CD1-CG2 4.18Å; L631-T669 CarbonylContact O-C 3.58Å; L631-T669 VanDerWaalsContact O-CA 3.22Å; L631-T669 WeakPolarHBondContact O-CA 3.49Å; V633-T669 HydrophobicContact CG1-CG2 3.64Å; T669-H675 PolarHBondContact N-O 3.1Å; T669-H675 VanDerWaalsContact N-O 3.12Å; T669-H675 WeakPolarHBondContact O-CB 3.32Å; T669-H675 PolarHBondContact O-N 2.86Å; T669-H675 VanDerWaalsContact OG1-CB 3.28Å; T669-H675 WeakPolarHBondContact OG1-CB 3.4Å; T669-H675 PolarHBondContact OG1-ND1 3.37Å; T669-Y677 HydrophobicContact CG2-CE2 3.81Å; T669-Y677 PolarHBondContact OG1-OH 3.15Å; T669-L723 HydrophobicContact CG2-CD2 3.81Å; T669-F727 HydrophobicContact CG2-CE2 4.03Å; T669-F727 HydrophobicContact CG2-CZ 4.42Å; T669-F727 WeakPolarHBondContact OG1-CZ 3.38Å
670	F	98.6	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	148.9	179.9	65.1	-79.7	0	0	0	113.2	V630 L631 D632 V633 T673 S735 L737 A740 L757 Q759	V630-F670 HydrophobicContact CG1-CD1 3.92Å; V630-F670 HydrophobicContact CG1-CE1 3.74Å; L631-F670 VanDerWaalsContact O-CD1 3.29Å; L631-F670 WeakPolarHBondContact O-CD1 3.23Å; L631-F670 PolarHBondContact O-N 2.78Å; D632-F670 HydrophobicContact CB-CE1 4.27Å; D632-F670 HydrophobicContact CB-CE2 4.23Å; D632-F670 HydrophobicContact CB-CZ 3.8Å; V633-F670 WeakPolarHBondContact CG2-O 3.49Å; V633-F670 PolarHBondContact N-O 2.78Å; F670-T673 VanDerWaalsContact CA-O 3.32Å; F670-T673 WeakPolarHBondContact CA-O 3.4Å; F670-T673 WeakPolarHBondContact CB-O 3.25Å; F670-S735 WeakPolarHBondContact CE2-OG 3.45Å; F670-L737 HydrophobicContact CE1-CD1 4.45Å; F670-L737 HydrophobicContact CE2-CB 4Å; F670-L737 HydrophobicContact CE2-CD1 3.98Å; F670-L737 HydrophobicContact CZ-CD1 3.68Å; F670-A740 HydrophobicContact CB-CB 3.75Å; F670-A740 HydrophobicContact CD1-CB 3.78Å; F670-A740 HydrophobicContact CD2-CB 4.05Å; F670-A740 HydrophobicContact CE1-CB 4.43Å; F670-A740 HydrophobicContact CG-CB 3.57Å; F670-L757 HydrophobicContact CE1-CD1 4.1Å; F670-L757 HydrophobicContact CZ-CD1 4.04Å; F670-Q759 VanDerWaalsContact CZ-OE1 3.24Å
671	D	97.9	Very high	97.6	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.048	13%	0.134	C	C	.	.	S	Bend	trans	-145.8	-102.1	177.8	49	25.2	0	0	0	110.3	V633 T673 H675 E732 H734 S735 A736	V633-D671 HydrophobicContact CG2-CB 4.31Å; D671-T673 PolarHBondContact N-O 3.08Å; D671-T673 VanDerWaalsContact N-O 3.11Å; D671-T673 PolarHBondContact OD1-N 2.84Å; D671-H675 IonicContact OD1-CE1 3.67Å; D671-H675 IonicContact OD1-NE2 2.73Å; D671-H675 IonicContact OD2-CE1 3.51Å; D671-H675 PolarHBondContact OD2-CE1 3.49Å; D671-E732 HydrophobicContact CB-CB 4.02Å; D671-H734 CarbonylContact C-O 3.56Å; D671-H734 VanDerWaalsContact C-O 3.23Å; D671-H734 WeakPolarHBondContact CA-O 3.49Å; D671-H734 CarbonylContact O-C 3.38Å; D671-S735 CarbonylContact O-C 3.52Å; D671-S735 VanDerWaalsContact O-CA 3.24Å; D671-S735 WeakPolarHBondContact O-CA 3.34Å; D671-S735 PolarHBondContact O-N 2.92Å; D671-A736 WeakPolarHBondContact O-CB 3.24Å; D671-A736 PolarHBondContact O-N 2.82Å
672	N	97.1	Very high	97.4	Very high	50 Å²	50	27 Å²	27	27%	0.267	15%	0.146	S	C	.	.	S	Bend	trans	-84.3	-18.8	164.4	71.7	10.7	0	0	0	112.1	E732 H734 L765	N672-E732 PolarHBondContact ND2-OE2 2.96Å; N672-H734 HydrophobicContact CB-CB 4.03Å; N672-L765 HydrophobicContact CB-CD2 4.1Å
673	T	97.3	Very high	97.3	Very high	19 Å²	19	23.7 Å²	23.7	12%	0.117	14%	0.136	C	C	.	.	S	Bend	trans	-126.3	179.2	175.7	63.3	0	0	0	0	112	F670 D671 H675	F670-T673 VanDerWaalsContact CA-O 3.32Å; F670-T673 WeakPolarHBondContact CA-O 3.4Å; F670-T673 WeakPolarHBondContact CB-O 3.25Å; D671-T673 PolarHBondContact N-O 3.08Å; D671-T673 VanDerWaalsContact N-O 3.11Å; D671-T673 PolarHBondContact OD1-N 2.84Å; T673-H675 PolarHBondContact OG1-NE2 3.06Å; T673-H675 VanDerWaalsContact OG1-NE2 3.1Å
674	V	98.3	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	175.8	-177.1	0	0	0	0	109.9	F676 V691 V697 P739 A740 A743	V674-F676 HydrophobicContact CG1-CD2 4.45Å; V674-F676 HydrophobicContact CG1-CE2 3.9Å; V674-F676 HydrophobicContact CG1-CZ 4.05Å; V674-V691 PolarHBondContact N-O 3.38Å; V674-V691 VanDerWaalsContact N-O 3.1Å; V674-V691 PolarHBondContact O-N 3.01Å; V674-V697 HydrophobicContact CB-CG1 4.43Å; V674-V697 HydrophobicContact CG2-CG1 4.45Å; V674-V697 HydrophobicContact CG2-CG2 4.26Å; V674-P739 HydrophobicContact CG2-CB 4.24Å; V674-A740 HydrophobicContact CG2-CB 4.21Å; V674-A743 HydrophobicContact CG1-CB 4.22Å
675	H	98.2	Very high	96.9	Very high	9 Å²	9	31.6 Å²	31.6	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	-178.9	-47.6	133.6	0	0	0	111.2	L668 T669 D671 T673 Y677 M688 F727	L668-H675 VanDerWaalsContact CA-O 3.26Å; L668-H675 WeakPolarHBondContact CA-O 3.37Å; T669-H675 PolarHBondContact N-O 3.1Å; T669-H675 VanDerWaalsContact N-O 3.12Å; T669-H675 WeakPolarHBondContact O-CB 3.32Å; T669-H675 PolarHBondContact O-N 2.86Å; T669-H675 VanDerWaalsContact OG1-CB 3.28Å; T669-H675 WeakPolarHBondContact OG1-CB 3.4Å; T669-H675 PolarHBondContact OG1-ND1 3.37Å; D671-H675 IonicContact OD1-CE1 3.67Å; D671-H675 IonicContact OD1-NE2 2.73Å; D671-H675 IonicContact OD2-CE1 3.51Å; D671-H675 PolarHBondContact OD2-CE1 3.49Å; T673-H675 PolarHBondContact OG1-NE2 3.06Å; T673-H675 VanDerWaalsContact OG1-NE2 3.1Å; H675-Y677 HydrophobicContact CB-CE2 4.38Å; H675-M688 HydrophobicContact CB-CE 3.74Å; H675-M688 VanDerWaalsContact CD2-CE 3.41Å; H675-M688 WeakPolarHBondContact CD2-CE 3.2Å; H675-F727 AromaticContact CE1-CE1 3.87Å; H675-F727 AromaticContact ND1-CE1 3.95Å; H675-F727 AromaticContact ND1-CZ 3.85Å
676	F	98.3	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.1	172.7	-57.1	-95.5	0	0	0	110.1	L668 V674 L689 V691 V697 I699 P700 L705 A743	L668-F676 HydrophobicContact CD2-CB 4.36Å; L668-F676 HydrophobicContact CD2-CD1 3.18Å; L668-F676 HydrophobicContact CD2-CE1 3.6Å; L668-F676 HydrophobicContact CD2-CG 3.9Å; V674-F676 HydrophobicContact CG1-CD2 4.45Å; V674-F676 HydrophobicContact CG1-CE2 3.9Å; V674-F676 HydrophobicContact CG1-CZ 4.05Å; F676-L689 HydrophobicContact CB-CB 4.33Å; F676-L689 PolarHBondContact N-O 3.4Å; F676-L689 PolarHBondContact O-N 3.13Å; F676-V691 HydrophobicContact CD2-CG2 3.93Å; F676-V691 HydrophobicContact CE2-CB 4.02Å; F676-V691 HydrophobicContact CE2-CG2 3.58Å; F676-V697 HydrophobicContact CE2-CG1 4.26Å; F676-V697 HydrophobicContact CZ-CG1 3.98Å; F676-I699 HydrophobicContact CE1-CD1 3.66Å; F676-I699 HydrophobicContact CZ-CD1 3.89Å; F676-P700 HydrophobicContact CD2-CG 4.01Å; F676-P700 HydrophobicContact CE2-CG 4.31Å; F676-P700 HydrophobicContact CG-CG 4.4Å; F676-L705 HydrophobicContact CB-CD1 3.8Å; F676-L705 HydrophobicContact CB-CD2 3.88Å; F676-L705 HydrophobicContact CD1-CD1 3.56Å; F676-L705 HydrophobicContact CE1-CD1 4.4Å; F676-L705 HydrophobicContact CG-CD1 3.94Å; F676-A743 HydrophobicContact CE1-CB 4.07Å; F676-A743 HydrophobicContact CZ-CB 3.81Å
677	Y	98.3	Very high	96.8	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.2	177.5	-63.5	-82.9	0	0	0	111.4	F667 T669 H675 L679 M688 L705 L719 L723 M726 F727	F667-Y677 HydrophobicContact CB-CD2 3.97Å; T669-Y677 HydrophobicContact CG2-CE2 3.81Å; T669-Y677 PolarHBondContact OG1-OH 3.15Å; H675-Y677 HydrophobicContact CB-CE2 4.38Å; Y677-L679 PolarHBondContact O-N 3.5Å; Y677-M688 HydrophobicContact CD1-CB 4.16Å; Y677-M688 HydrophobicContact CD1-CG 4.35Å; Y677-M688 HydrophobicContact CE1-CB 3.9Å; Y677-M688 HydrophobicContact CE1-CG 3.76Å; Y677-M688 HydrophobicContact CE1-SD 4.24Å; Y677-L705 VanDerWaalsContact O-CD2 3.26Å; Y677-L705 WeakPolarHBondContact O-CD2 3.32Å; Y677-L719 HydrophobicContact CD1-CD1 3.39Å; Y677-L719 HydrophobicContact CD1-CD2 4.22Å; Y677-L719 HydrophobicContact CD1-CG 4.48Å; Y677-L719 HydrophobicContact CD2-CD1 4.5Å; Y677-L719 HydrophobicContact CD2-CD2 4.24Å; Y677-L719 HydrophobicContact CE1-CD1 3.67Å; Y677-L719 HydrophobicContact CG-CD1 3.85Å; Y677-L719 HydrophobicContact CG-CD2 3.8Å; Y677-L723 HydrophobicContact CE1-CD2 4.33Å; Y677-L723 HydrophobicContact CE2-CD2 4.25Å; Y677-L723 WeakPolarHBondContact OH-CD2 3.23Å; Y677-M726 HydrophobicContact CE1-CE 4.23Å; Y677-M726 HydrophobicContact CE1-SD 4.02Å; Y677-F727 WeakPolarHBondContact OH-CE2 3.44Å; Y677-F727 WeakPolarHBondContact OH-CZ 3.46Å
678	N	97.8	Very high	96.7	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.064	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.6	169.3	176.9	3.7	0	0	0	109.5	Q680 Q687 L689 S704 L705	N678-Q680 PolarHBondContact ND2-OE1 2.86Å; N678-Q680 WeakPolarHBondContact OD1-CB 3.5Å; N678-Q680 VanDerWaalsContact OD1-CG 3.3Å; N678-Q680 WeakPolarHBondContact OD1-CG 3.46Å; N678-Q680 PolarHBondContact OD1-N 3.02Å; N678-Q680 PolarHBondContact OD1-OE1 2.88Å; N678-Q687 HydrophobicContact CB-CB 4.12Å; N678-Q687 PolarHBondContact N-O 2.86Å; N678-Q687 PolarHBondContact O-N 3.49Å; N678-L689 HydrophobicContact CB-CD1 4.35Å; N678-S704 WeakPolarHBondContact CA-O 3.3Å; N678-S704 WeakPolarHBondContact OD1-CB 3.36Å; N678-S704 PolarHBondContact OD1-O 3.46Å; N678-L705 HydrophobicContact CB-CD2 4.27Å
679	L	97.4	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.			trans	-130.3	20	-175.1	-63.6	171.3	0	0	0	111.4	F667 Y677 P686 S704 V707 S712 L715 V716 L719	F667-L679 HydrophobicContact CD2-CD1 3.82Å; F667-L679 HydrophobicContact CE2-CD1 4.23Å; Y677-L679 PolarHBondContact O-N 3.5Å; L679-P686 HydrophobicContact CD2-CB 3.76Å; L679-P686 HydrophobicContact CD2-CG 3.83Å; L679-S704 PolarHBondContact N-O 3.11Å; L679-V707 HydrophobicContact CB-CG1 4.04Å; L679-V707 HydrophobicContact CB-CG2 3.79Å; L679-V707 HydrophobicContact CD1-CG2 4.4Å; L679-S712 WeakPolarHBondContact O-CB 3.49Å; L679-S712 PolarHBondContact O-OG 2.76Å; L679-L715 HydrophobicContact CD2-CB 4.03Å; L679-V716 HydrophobicContact CD1-CG2 4.13Å; L679-L719 HydrophobicContact CD1-CD2 3.95Å; L679-L719 HydrophobicContact CD2-CB 4.22Å; L679-L719 HydrophobicContact CD2-CD2 4.16Å; L679-L719 HydrophobicContact CG-CD2 4.49Å
680	Q	94.8	Very high	96.5	Very high	82 Å²	82	46.5 Å²	46.5	38%	0.383	27%	0.265	S	S	.	.			trans	-55.7	146.3	-177.6	70.6	-169.2	39	0	0	112	N678 L683 L715	N678-Q680 PolarHBondContact ND2-OE1 2.86Å; N678-Q680 WeakPolarHBondContact OD1-CB 3.5Å; N678-Q680 VanDerWaalsContact OD1-CG 3.3Å; N678-Q680 WeakPolarHBondContact OD1-CG 3.46Å; N678-Q680 PolarHBondContact OD1-N 3.02Å; N678-Q680 PolarHBondContact OD1-OE1 2.88Å; Q680-L683 HydrophobicContact CG-CD1 3.8Å; Q680-L683 HydrophobicContact CG-CD2 4.4Å; Q680-L683 HydrophobicContact CG-CG 3.67Å; Q680-L683 PolarHBondContact O-N 2.86Å; Q680-L715 WeakPolarHBondContact O-CD1 3.26Å
681	E	92.3	Very high	96.4	Very high	139 Å²	139	46.8 Å²	46.8	65%	0.65	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	142	175.5	-169.9	177.3	-168.6	0	0	111.1
682	G	91.5	Very high	96.2	Very high	78 Å²	78	50.9 Å²	50.9	80%	0.804	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-4.9	-178	0	0	0	0	0	115.5
683	L	95.6	Very high	96	Very high	35 Å²	35	52.5 Å²	52.5	18%	0.183	30%	0.304	C	S	.	.			trans	-70.6	148.7	162.4	-69	-179.6	0	0	0	111.2	Q680 Q687 L715	Q680-L683 HydrophobicContact CG-CD1 3.8Å; Q680-L683 HydrophobicContact CG-CD2 4.4Å; Q680-L683 HydrophobicContact CG-CG 3.67Å; Q680-L683 PolarHBondContact O-N 2.86Å; L683-Q687 HydrophobicContact CD1-CG 4.19Å; L683-L715 HydrophobicContact CB-CD1 3.98Å; L683-L715 HydrophobicContact CB-CD2 4.17Å
684	S	93.5	Very high	95.9	Very high	110 Å²	110	52.7 Å²	52.7	77%	0.769	30%	0.304	S	S	*	.	S	Bend	trans	-92.5	-10.2	174.1	63.7	0	0	0	0	114.2
685	Q	95.1	Very high	95.5	Very high	113 Å²	113	59.4 Å²	59.4	53%	0.528	34%	0.34	S	S	.	.	S	Bend	trans	-162.7	153.8	177.8	56.6	174.2	82.4	0	0	109.3	E718	Q685-E718 VanDerWaalsContact CB-OE1 3.29Å; Q685-E718 WeakPolarHBondContact CB-OE1 3.34Å
686	P	97.6	Very high	95	Very high	19 Å²	19	63.8 Å²	63.8	12%	0.123	36%	0.364	C	S	.	.			trans	-55.8	146.8	170.8	-26.6	35.1	0	0	0	113.3	L679 L715 E718 L719	L679-P686 HydrophobicContact CD2-CB 3.76Å; L679-P686 HydrophobicContact CD2-CG 3.83Å; P686-L715 WeakPolarHBondContact CG-O 3.46Å; P686-E718 WeakPolarHBondContact CD-OE1 3.38Å; P686-E718 WeakPolarHBondContact CD-OE2 3.17Å; P686-E718 HydrophobicContact CG-CB 4.26Å; P686-E718 HydrophobicContact CG-CG 4.4Å; P686-L719 HydrophobicContact CB-CB 4.35Å; P686-L719 HydrophobicContact CB-CD1 4.33Å; P686-L719 HydrophobicContact CG-CB 3.88Å
687	Q	96.9	Very high	94.6	Very high	86 Å²	86	64 Å²	64	40%	0.402	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118	174.9	-69.2	177.8	-5.8	0	0	110.7	N678 L683	N678-Q687 HydrophobicContact CB-CB 4.12Å; N678-Q687 PolarHBondContact N-O 2.86Å; N678-Q687 PolarHBondContact O-N 3.49Å; L683-Q687 HydrophobicContact CD1-CG 4.19Å
688	M	97.5	Very high	94.2	Very high	70 Å²	70	69.6 Å²	69.6	35%	0.345	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.3	176.4	-174.5	-179.9	179.8	0	0	110.4	H675 Y677 V690 M726 F727	H675-M688 HydrophobicContact CB-CE 3.74Å; H675-M688 VanDerWaalsContact CD2-CE 3.41Å; H675-M688 WeakPolarHBondContact CD2-CE 3.2Å; Y677-M688 HydrophobicContact CD1-CB 4.16Å; Y677-M688 HydrophobicContact CD1-CG 4.35Å; Y677-M688 HydrophobicContact CE1-CB 3.9Å; Y677-M688 HydrophobicContact CE1-CG 3.76Å; Y677-M688 HydrophobicContact CE1-SD 4.24Å; M688-V690 HydrophobicContact CE-CG2 4.27Å; M688-M726 HydrophobicContact CE-SD 4.43Å; M688-M726 HydrophobicContact SD-SD 3.63Å; M688-M726 VanDerWaalsContact SD-SD 3.63Å; M688-F727 HydrophobicContact CE-CE1 4.13Å; M688-F727 HydrophobicContact CE-CZ 3.74Å
689	L	96.8	Very high	94	Very high	56 Å²	56	70.2 Å²	70.2	29%	0.293	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.5	178	-53.9	177.8	0	0	0	108.6	F676 N678 P700	F676-L689 HydrophobicContact CB-CB 4.33Å; F676-L689 PolarHBondContact N-O 3.4Å; F676-L689 PolarHBondContact O-N 3.13Å; N678-L689 HydrophobicContact CB-CD1 4.35Å; L689-P700 HydrophobicContact CB-CG 4.47Å; L689-P700 HydrophobicContact CD1-CB 3.84Å; L689-P700 HydrophobicContact CD1-CG 4.29Å
690	V	96.5	Very high	93.5	Very high	88 Å²	88	72.6 Å²	72.6	53%	0.533	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.3	-177.6	-177.1	0	0	0	0	109.8	M688	M688-V690 HydrophobicContact CE-CG2 4.27Å
691	V	96.1	Very high	93.1	Very high	6 Å²	6	70.8 Å²	70.8	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108	170.6	178.4	0	0	0	0	108.6	V674 F676 D693 V697 F698 P700	V674-V691 PolarHBondContact N-O 3.38Å; V674-V691 VanDerWaalsContact N-O 3.1Å; V674-V691 PolarHBondContact O-N 3.01Å; F676-V691 HydrophobicContact CD2-CG2 3.93Å; F676-V691 HydrophobicContact CE2-CB 4.02Å; F676-V691 HydrophobicContact CE2-CG2 3.58Å; V691-D693 WeakPolarHBondContact CG1-O 3.14Å; V691-V697 HydrophobicContact CG1-CG1 4.12Å; V691-F698 HydrophobicContact CG1-CD1 4.1Å; V691-F698 HydrophobicContact CG1-CE1 3.82Å; V691-F698 HydrophobicContact CG1-CZ 4.42Å; V691-F698 HydrophobicContact CG2-CE1 4.17Å; V691-F698 HydrophobicContact CG2-CE2 4.32Å; V691-F698 HydrophobicContact CG2-CZ 3.94Å; V691-P700 HydrophobicContact CG2-CG 4.07Å
692	S	93.3	Very high	92.6	Very high	94 Å²	94	68 Å²	68	66%	0.657	39%	0.391	S	S	*	.			trans	-91.2	-13.4	-178.8	60.9	0	0	0	0	114.4	I694	S692-I694 PolarHBondContact O-N 2.96Å
693	D	93.7	Very high	92.3	Very high	85 Å²	85	70.1 Å²	70.1	46%	0.455	39%	0.385	S	S	.	.			trans	-79.1	104.7	166.7	-166.8	-33	0	0	0	108.3	V691 D695 D696 V697	V691-D693 WeakPolarHBondContact CG1-O 3.14Å; D693-D695 PolarHBondContact OD1-N 3.43Å; D693-D696 PolarHBondContact OD1-N 2.84Å; D693-V697 WeakPolarHBondContact O-CG2 3.39Å
694	I	93.6	Very high	92.2	Very high	23 Å²	23	68.8 Å²	68.8	12%	0.118	38%	0.378	C	S	.	.			trans	-96.3	-5.1	-179.3	61.4	169.7	0	0	0	113	S692 P739 L765	S692-I694 PolarHBondContact O-N 2.96Å; I694-P739 HydrophobicContact CB-CB 3.96Å; I694-P739 HydrophobicContact CB-CG 3.91Å; I694-P739 HydrophobicContact CG2-CB 4.39Å; I694-P739 VanDerWaalsContact O-CG 3.31Å; I694-P739 WeakPolarHBondContact O-CG 3.12Å; I694-L765 HydrophobicContact CD1-CD1 4.31Å; I694-L765 HydrophobicContact CD1-CD2 3.74Å; I694-L765 HydrophobicContact CD1-CG 3.56Å
695	D	90.8	Very high	92.3	Very high	141 Å²	141	63.8 Å²	63.8	75%	0.754	34%	0.343	S	S	*	.	S	Bend	trans	-94.2	-31.3	-179.8	-70.7	-40.8	0	0	0	111.2	D693	D693-D695 PolarHBondContact OD1-N 3.43Å
696	D	88.8	Confident	92.4	Very high	101 Å²	101	59 Å²	59	54%	0.54	32%	0.321	S	S	.	.	S	Bend	trans	-129.2	79.2	157.3	-170.9	20.5	0	0	0	113	D693 F698 K746	D693-D696 PolarHBondContact OD1-N 2.84Å; D696-F698 PolarHBondContact O-N 3.2Å; D696-K746 IonicContact OD1-NZ 3.98Å; D696-K746 PolarHBondContact OD1-NZ 3.16Å
697	V	89.3	Confident	92.4	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.03	32%	0.317	C	S	.	.			trans	-64.1	107.4	175.1	-171.7	0	0	0	0	110.7	V674 F676 V691 D693 P739 A743 K746	V674-V697 HydrophobicContact CB-CG1 4.43Å; V674-V697 HydrophobicContact CG2-CG1 4.45Å; V674-V697 HydrophobicContact CG2-CG2 4.26Å; F676-V697 HydrophobicContact CE2-CG1 4.26Å; F676-V697 HydrophobicContact CZ-CG1 3.98Å; V691-V697 HydrophobicContact CG1-CG1 4.12Å; D693-V697 WeakPolarHBondContact O-CG2 3.39Å; V697-P739 HydrophobicContact CG2-CB 3.74Å; V697-A743 HydrophobicContact CG1-CB 3.76Å; V697-K746 WeakPolarHBondContact O-CD 3.29Å; V697-K746 WeakPolarHBondContact O-CE 3.26Å; V697-K746 PolarHBondContact O-NZ 2.89Å
698	F	89.4	Confident	92.5	Very high	118 Å²	118	55.2 Å²	55.2	52%	0.518	30%	0.303	S	S	.	.			trans	-84.2	163.4	171.6	67.4	-86.3	0	0	0	111.8	V691 D696 P700	V691-F698 HydrophobicContact CG1-CD1 4.1Å; V691-F698 HydrophobicContact CG1-CE1 3.82Å; V691-F698 HydrophobicContact CG1-CZ 4.42Å; V691-F698 HydrophobicContact CG2-CE1 4.17Å; V691-F698 HydrophobicContact CG2-CE2 4.32Å; V691-F698 HydrophobicContact CG2-CZ 3.94Å; D696-F698 PolarHBondContact O-N 3.2Å; F698-P700 HydrophobicContact CD2-CG 4.46Å; F698-P700 HydrophobicContact CE2-CB 4.42Å; F698-P700 HydrophobicContact CE2-CG 4.07Å
699	I	92.7	Very high	92.5	Very high	26 Å²	26	52.8 Å²	52.8	13%	0.133	29%	0.291	C	S	.	.			trans	-99	115.9	173.6	-56.9	-54.1	0	0	0	108.4	F676 S701 L705 A743 K746 L747	F676-I699 HydrophobicContact CE1-CD1 3.66Å; F676-I699 HydrophobicContact CZ-CD1 3.89Å; I699-S701 VanDerWaalsContact C-N 3.3Å; I699-S701 PolarHBondContact O-N 2.86Å; I699-L705 HydrophobicContact CG2-CD1 4.24Å; I699-A743 HydrophobicContact CD1-CB 4.34Å; I699-A743 WeakPolarHBondContact CD1-O 3.45Å; I699-K746 HydrophobicContact CD1-CB 3.92Å; I699-K746 HydrophobicContact CG1-CB 3.73Å; I699-L747 HydrophobicContact CD1-CB 4.01Å; I699-L747 HydrophobicContact CG2-CD1 3.78Å
700	P	87.3	Confident	92.5	Very high	49 Å²	49	57.5 Å²	57.5	32%	0.318	31%	0.309	S	S	.	.	S	Bend	trans	-61.5	-33.8	-175.8	-26.9	35.2	0	0	0	114.7	F676 L689 V691 F698	F676-P700 HydrophobicContact CD2-CG 4.01Å; F676-P700 HydrophobicContact CE2-CG 4.31Å; F676-P700 HydrophobicContact CG-CG 4.4Å; L689-P700 HydrophobicContact CB-CG 4.47Å; L689-P700 HydrophobicContact CD1-CB 3.84Å; L689-P700 HydrophobicContact CD1-CG 4.29Å; V691-P700 HydrophobicContact CG2-CG 4.07Å; F698-P700 HydrophobicContact CD2-CG 4.46Å; F698-P700 HydrophobicContact CE2-CB 4.42Å; F698-P700 HydrophobicContact CE2-CG 4.07Å
701	S	86.4	Confident	92.5	Very high	45 Å²	45	58.5 Å²	58.5	32%	0.315	31%	0.308	S	S	.	.			trans	-168.3	143.4	177.5	165.1	0	0	0	0	108.1	I699 S704 L705	I699-S701 VanDerWaalsContact C-N 3.3Å; I699-S701 PolarHBondContact O-N 2.86Å; S701-S704 WeakPolarHBondContact CB-OG 3.41Å; S701-S704 PolarHBondContact OG-OG 3Å; S701-L705 WeakPolarHBondContact O-CD1 3.39Å; S701-L705 WeakPolarHBondContact O-CG 3.33Å
702	H	82.6	Confident	92.6	Very high	79 Å²	79	58.4 Å²	58.4	37%	0.366	31%	0.308	S	S	.	.	S	Bend	trans	-88.8	-52.8	-178.8	-73.7	77.5	0	0	0	112.2	S704 L705 M706	H702-S704 VanDerWaalsContact C-N 3.32Å; H702-S704 PolarHBondContact O-N 2.7Å; H702-L705 PolarHBondContact O-N 2.82Å; H702-M706 PolarHBondContact O-N 2.84Å
703	D	84.9	Confident	92.8	Very high	123 Å²	123	56.2 Å²	56.2	66%	0.658	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-28.3	-171.8	-67.6	-61.2	0	0	0	114.1	K664 L705	K664-D703 IonicContact NZ-OD1 3.24Å; D703-L705 VanDerWaalsContact C-N 3.33Å
704	S	92.9	Very high	93	Very high	8 Å²	8	57.6 Å²	57.6	6%	0.056	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.6	178.6	71.5	0	0	0	0	113.8	N678 L679 S701 H702 V707	N678-S704 WeakPolarHBondContact CA-O 3.3Å; N678-S704 WeakPolarHBondContact OD1-CB 3.36Å; N678-S704 PolarHBondContact OD1-O 3.46Å; L679-S704 PolarHBondContact N-O 3.11Å; S701-S704 WeakPolarHBondContact CB-OG 3.41Å; S701-S704 PolarHBondContact OG-OG 3Å; H702-S704 VanDerWaalsContact C-N 3.32Å; H702-S704 PolarHBondContact O-N 2.7Å; S704-V707 WeakPolarHBondContact O-CG1 3.31Å
705	L	97	Very high	93.2	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.026	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-36.1	179.4	-62	-175	0	0	0	112.8	G666 F676 Y677 N678 I699 S701 H702 D703 L747	G666-L705 WeakPolarHBondContact CA-O 3.11Å; F676-L705 HydrophobicContact CB-CD1 3.8Å; F676-L705 HydrophobicContact CB-CD2 3.88Å; F676-L705 HydrophobicContact CD1-CD1 3.56Å; F676-L705 HydrophobicContact CE1-CD1 4.4Å; F676-L705 HydrophobicContact CG-CD1 3.94Å; Y677-L705 VanDerWaalsContact O-CD2 3.26Å; Y677-L705 WeakPolarHBondContact O-CD2 3.32Å; N678-L705 HydrophobicContact CB-CD2 4.27Å; I699-L705 HydrophobicContact CG2-CD1 4.24Å; S701-L705 WeakPolarHBondContact O-CD1 3.39Å; S701-L705 WeakPolarHBondContact O-CG 3.33Å; H702-L705 PolarHBondContact O-N 2.82Å; D703-L705 VanDerWaalsContact C-N 3.33Å; L705-L747 HydrophobicContact CB-CD1 4.15Å; L705-L747 HydrophobicContact CB-CD2 4.42Å; L705-L747 HydrophobicContact CD1-CD1 4.35Å
706	M	97.3	Very high	93.6	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.054	25%	0.252	C	S	.	.	S	Bend	trans	-103.1	79	173.1	-63.7	-53.2	-57.8	0	0	109.6	V626 L628 K664 H702 L747 M748	V626-M706 HydrophobicContact CG1-CE 3.42Å; V626-M706 VanDerWaalsContact CG1-CE 3.42Å; L628-M706 HydrophobicContact CB-CE 4.34Å; L628-M706 HydrophobicContact CD1-SD 4.01Å; K664-M706 HydrophobicContact CD-CB 4.42Å; K664-M706 VanDerWaalsContact CD-O 3.23Å; K664-M706 WeakPolarHBondContact CD-O 3.34Å; K664-M706 VanDerWaalsContact CE-O 3.25Å; K664-M706 WeakPolarHBondContact CE-O 3.32Å; K664-M706 PolarHBondContact NZ-O 2.96Å; H702-M706 PolarHBondContact O-N 2.84Å; M706-L747 HydrophobicContact CG-CD1 3.81Å; M706-L747 HydrophobicContact CG-CD2 4.05Å; M706-L747 HydrophobicContact CG-CG 3.68Å; M706-L747 HydrophobicContact SD-CD2 3.75Å; M706-L747 HydrophobicContact SD-CG 3.96Å; M706-M748 HydrophobicContact CE-SD 3.69Å; M706-M748 HydrophobicContact SD-SD 4.32Å
707	V	97.6	Very high	94	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	157.3	-169.2	-59.7	0	0	0	0	112.2	K664 V665 L679 S704 L709	K664-V707 CarbonylContact C-O 3.58Å; K664-V707 WeakPolarHBondContact CA-O 3.46Å; V665-V707 HydrophobicContact CG1-CG2 4.26Å; V665-V707 PolarHBondContact N-O 2.81Å; V665-V707 PolarHBondContact O-N 2.82Å; L679-V707 HydrophobicContact CB-CG1 4.04Å; L679-V707 HydrophobicContact CB-CG2 3.79Å; L679-V707 HydrophobicContact CD1-CG2 4.4Å; S704-V707 WeakPolarHBondContact O-CG1 3.31Å; V707-L709 PolarHBondContact O-N 3.09Å
708	N	97.9	Very high	94.5	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.107	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.5	173.3	-173.3	-21.5	0	0	0	109.8	A661 T663 K710 E711 S712	A661-N708 PolarHBondContact O-ND2 3.25Å; T663-N708 PolarHBondContact O-OD1 3.15Å; N708-K710 PolarHBondContact O-N 2.85Å; N708-K710 WeakPolarHBondContact OD1-CB 3.27Å; N708-K710 PolarHBondContact OD1-N 2.94Å; N708-E711 HydrophobicContact CB-CB 4.18Å; N708-E711 HydrophobicContact CB-CG 4.34Å; N708-E711 WeakPolarHBondContact CB-OE2 3.44Å; N708-E711 PolarHBondContact ND2-OE1 3.22Å; N708-E711 PolarHBondContact ND2-OE2 2.86Å; N708-E711 PolarHBondContact O-N 3.35Å; N708-S712 PolarHBondContact O-N 2.66Å
709	L	97.5	Very high	94.9	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.099	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.4	-179.1	177.1	61.1	0	0	0	113	L654 L657 T663 V665 V707 K713 V716	L654-L709 HydrophobicContact CD1-CD1 3.7Å; L654-L709 HydrophobicContact CD2-CD1 4.23Å; L654-L709 HydrophobicContact CG-CD1 3.89Å; L657-L709 HydrophobicContact CD1-CD2 3.88Å; T663-L709 HydrophobicContact CG2-CB 4.26Å; T663-L709 HydrophobicContact CG2-CD2 4.09Å; T663-L709 WeakPolarHBondContact O-CB 3.24Å; T663-L709 PolarHBondContact O-N 2.95Å; V665-L709 HydrophobicContact CB-CD1 4.44Å; V665-L709 HydrophobicContact CG1-CB 4.21Å; V665-L709 HydrophobicContact CG1-CD1 3.9Å; V707-L709 PolarHBondContact O-N 3.09Å; L709-K713 WeakPolarHBondContact O-CA 3.44Å; L709-K713 VanDerWaalsContact O-CB 3.31Å; L709-K713 WeakPolarHBondContact O-CB 3.28Å; L709-K713 PolarHBondContact O-N 2.89Å; L709-V716 HydrophobicContact CD1-CG1 4.39Å
710	K	96.5	Very high	95.2	Very high	155 Å²	155	45.7 Å²	45.7	67%	0.674	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-38.8	179.4	-169.9	-163.5	170.3	-155.7	0	112.4	N708	N708-K710 PolarHBondContact O-N 2.85Å; N708-K710 WeakPolarHBondContact OD1-CB 3.27Å; N708-K710 PolarHBondContact OD1-N 2.94Å
711	E	97.1	Very high	95.7	Very high	108 Å²	108	48.2 Å²	48.2	51%	0.505	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-51.7	-177.3	-71.7	140.7	-151.8	0	0	110	N708 K713	N708-E711 HydrophobicContact CB-CB 4.18Å; N708-E711 HydrophobicContact CB-CG 4.34Å; N708-E711 WeakPolarHBondContact CB-OE2 3.44Å; N708-E711 PolarHBondContact ND2-OE1 3.22Å; N708-E711 PolarHBondContact ND2-OE2 2.86Å; N708-E711 PolarHBondContact O-N 3.35Å; E711-K713 VanDerWaalsContact C-N 3.26Å; E711-K713 PolarHBondContact O-N 3.18Å
712	S	97.7	Very high	96.2	Very high	5 Å²	5	48 Å²	48	4%	0.035	24%	0.24	C	C	.	.	S	Bend	trans	-84.5	18	-179	-59.6	0	0	0	0	114.7	L679 N708 E714 L715 V716	L679-S712 WeakPolarHBondContact O-CB 3.49Å; L679-S712 PolarHBondContact O-OG 2.76Å; N708-S712 PolarHBondContact O-N 2.66Å; S712-E714 VanDerWaalsContact C-N 3.33Å; S712-E714 PolarHBondContact O-N 3.1Å; S712-L715 PolarHBondContact O-N 3.1Å; S712-L715 VanDerWaalsContact O-N 3.16Å; S712-V716 WeakPolarHBondContact O-CG2 3.27Å; S712-V716 PolarHBondContact O-N 2.8Å
713	K	97.3	Very high	96.9	Very high	47 Å²	47	44.3 Å²	44.3	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-55.1	-43	-167.6	-170.2	177.2	175.5	177.8	0	114.1	L654 D655 L709 E711 V716 K717	L654-K713 HydrophobicContact CD2-CG 4.27Å; D655-K713 IonicContact OD1-NZ 2.7Å; D655-K713 PolarHBondContact OD1-NZ 2.86Å; D655-K713 IonicContact OD2-NZ 2.68Å; D655-K713 PolarHBondContact OD2-NZ 2.71Å; L709-K713 WeakPolarHBondContact O-CA 3.44Å; L709-K713 VanDerWaalsContact O-CB 3.31Å; L709-K713 WeakPolarHBondContact O-CB 3.28Å; L709-K713 PolarHBondContact O-N 2.89Å; E711-K713 VanDerWaalsContact C-N 3.26Å; E711-K713 PolarHBondContact O-N 3.18Å; K713-V716 PolarHBondContact O-N 3.15Å; K713-K717 PolarHBondContact O-N 3.19Å; K713-K717 VanDerWaalsContact O-N 3.08Å
714	E	97.9	Very high	97.5	Very high	114 Å²	114	40.3 Å²	40.3	53%	0.533	20%	0.203	S	C	.	.	H	α-helix	trans	-76	-33.9	-177	-53.1	-51.1	116.6	0	0	112.1	S712 V716 K717 E718	S712-E714 VanDerWaalsContact C-N 3.33Å; S712-E714 PolarHBondContact O-N 3.1Å; E714-V716 VanDerWaalsContact C-N 3.33Å; E714-V716 PolarHBondContact O-N 2.81Å; E714-K717 WeakPolarHBondContact O-CB 3.34Å; E714-K717 PolarHBondContact O-N 3.24Å; E714-K717 IonicContact OE1-NZ 3.49Å; E714-K717 PolarHBondContact OE1-NZ 2.91Å; E714-K717 WeakPolarHBondContact OE2-CD 3.36Å; E714-K717 IonicContact OE2-NZ 3.5Å; E714-K717 PolarHBondContact OE2-NZ 3.06Å; E714-E718 WeakPolarHBondContact O-CB 3.13Å; E714-E718 PolarHBondContact O-N 3.39Å
715	L	98.4	Very high	97.7	Very high	16 Å²	16	43 Å²	43	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-38.1	170.3	-69.4	167.1	0	0	0	111.7	L679 Q680 L683 P686 S712 E718 L719	L679-L715 HydrophobicContact CD2-CB 4.03Å; Q680-L715 WeakPolarHBondContact O-CD1 3.26Å; L683-L715 HydrophobicContact CB-CD1 3.98Å; L683-L715 HydrophobicContact CB-CD2 4.17Å; P686-L715 WeakPolarHBondContact CG-O 3.46Å; S712-L715 PolarHBondContact O-N 3.1Å; S712-L715 VanDerWaalsContact O-N 3.16Å; L715-E718 PolarHBondContact O-N 2.71Å; L715-L719 WeakPolarHBondContact O-CB 3.43Å; L715-L719 PolarHBondContact O-N 3.06Å
716	V	98.5	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174	172.1	0	0	0	0	111	L654 V665 F667 L679 L709 S712 K713 E714 L719 L720	L654-V716 HydrophobicContact CD1-CG1 4Å; L654-V716 HydrophobicContact CD2-CG1 4.08Å; V665-V716 HydrophobicContact CG1-CG2 3.74Å; F667-V716 HydrophobicContact CE2-CG1 3.89Å; F667-V716 HydrophobicContact CE2-CG2 4.39Å; F667-V716 HydrophobicContact CZ-CG1 4Å; L679-V716 HydrophobicContact CD1-CG2 4.13Å; L709-V716 HydrophobicContact CD1-CG1 4.39Å; S712-V716 WeakPolarHBondContact O-CG2 3.27Å; S712-V716 PolarHBondContact O-N 2.8Å; K713-V716 PolarHBondContact O-N 3.15Å; E714-V716 VanDerWaalsContact C-N 3.33Å; E714-V716 PolarHBondContact O-N 2.81Å; V716-L719 PolarHBondContact O-N 3.12Å; V716-L720 HydrophobicContact CG1-CD1 4.03Å; V716-L720 VanDerWaalsContact O-CG 3.3Å; V716-L720 WeakPolarHBondContact O-CG 3.11Å; V716-L720 PolarHBondContact O-N 2.91Å
717	K	98.5	Very high	97.7	Very high	66 Å²	66	46.9 Å²	46.9	29%	0.287	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-43.9	174.3	-74.6	159.9	159.6	175.3	0	112.4	L651 L654 K713 E714 L719 L720 T721	L651-K717 HydrophobicContact CD2-CB 4.02Å; L651-K717 HydrophobicContact CD2-CG 3.85Å; L654-K717 HydrophobicContact CD2-CG 4.21Å; K713-K717 PolarHBondContact O-N 3.19Å; K713-K717 VanDerWaalsContact O-N 3.08Å; E714-K717 WeakPolarHBondContact O-CB 3.34Å; E714-K717 PolarHBondContact O-N 3.24Å; E714-K717 IonicContact OE1-NZ 3.49Å; E714-K717 PolarHBondContact OE1-NZ 2.91Å; E714-K717 WeakPolarHBondContact OE2-CD 3.36Å; E714-K717 IonicContact OE2-NZ 3.5Å; E714-K717 PolarHBondContact OE2-NZ 3.06Å; K717-L719 VanDerWaalsContact C-N 3.34Å; K717-L720 PolarHBondContact O-N 3.21Å; K717-T721 WeakPolarHBondContact O-CB 3.06Å; K717-T721 PolarHBondContact O-N 2.6Å; K717-T721 PolarHBondContact O-OG1 3.29Å
718	E	98.3	Very high	97.6	Very high	82 Å²	82	49.5 Å²	49.5	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-41.9	178.9	-169.5	-174.3	160.9	0	0	111.3	Q685 P686 E714 L715 T721 S722	Q685-E718 VanDerWaalsContact CB-OE1 3.29Å; Q685-E718 WeakPolarHBondContact CB-OE1 3.34Å; P686-E718 WeakPolarHBondContact CD-OE1 3.38Å; P686-E718 WeakPolarHBondContact CD-OE2 3.17Å; P686-E718 HydrophobicContact CG-CB 4.26Å; P686-E718 HydrophobicContact CG-CG 4.4Å; E714-E718 WeakPolarHBondContact O-CB 3.13Å; E714-E718 PolarHBondContact O-N 3.39Å; L715-E718 PolarHBondContact O-N 2.71Å; E718-T721 PolarHBondContact O-N 2.74Å; E718-S722 WeakPolarHBondContact O-CB 3.46Å; E718-S722 PolarHBondContact O-N 3.13Å; E718-S722 PolarHBondContact O-OG 3.29Å
719	L	98.7	Very high	97.3	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-51.5	173	-179.9	63.1	0	0	0	111.3	F667 Y677 L679 P686 L715 V716 K717 T721 S722 L723	F667-L719 HydrophobicContact CB-CD2 3.92Å; F667-L719 HydrophobicContact CD2-CD2 3.69Å; F667-L719 HydrophobicContact CE2-CD2 4.38Å; F667-L719 HydrophobicContact CG-CD2 3.8Å; Y677-L719 HydrophobicContact CD1-CD1 3.39Å; Y677-L719 HydrophobicContact CD1-CD2 4.22Å; Y677-L719 HydrophobicContact CD1-CG 4.48Å; Y677-L719 HydrophobicContact CD2-CD1 4.5Å; Y677-L719 HydrophobicContact CD2-CD2 4.24Å; Y677-L719 HydrophobicContact CE1-CD1 3.67Å; Y677-L719 HydrophobicContact CG-CD1 3.85Å; Y677-L719 HydrophobicContact CG-CD2 3.8Å; L679-L719 HydrophobicContact CD1-CD2 3.95Å; L679-L719 HydrophobicContact CD2-CB 4.22Å; L679-L719 HydrophobicContact CD2-CD2 4.16Å; L679-L719 HydrophobicContact CG-CD2 4.49Å; P686-L719 HydrophobicContact CB-CB 4.35Å; P686-L719 HydrophobicContact CB-CD1 4.33Å; P686-L719 HydrophobicContact CG-CB 3.88Å; L715-L719 WeakPolarHBondContact O-CB 3.43Å; L715-L719 PolarHBondContact O-N 3.06Å; V716-L719 PolarHBondContact O-N 3.12Å; K717-L719 VanDerWaalsContact C-N 3.34Å; L719-T721 PolarHBondContact O-N 2.76Å; L719-S722 PolarHBondContact O-N 2.64Å; L719-S722 VanDerWaalsContact O-N 3.13Å; L719-S722 PolarHBondContact O-OG 2.84Å; L719-L723 HydrophobicContact CD1-CD1 4.18Å; L719-L723 HydrophobicContact CD1-CD2 4.09Å; L719-L723 HydrophobicContact CD1-CG 3.77Å; L719-L723 HydrophobicContact CD2-CD1 4.45Å; L719-L723 HydrophobicContact CG-CD1 3.88Å; L719-L723 HydrophobicContact CG-CG 3.98Å; L719-L723 WeakPolarHBondContact O-CB 3.42Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.39Å; L719-L723 PolarHBondContact O-N 2.96Å
720	L	98.6	Very high	97.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-31.8	179.7	-68.2	170.3	0	0	0	112.7	F646 C647 L650 L651 F667 V716 K717 L723 P724	F646-L720 HydrophobicContact CE1-CD2 4.38Å; C647-L720 HydrophobicContact CB-CB 4.29Å; C647-L720 HydrophobicContact CB-CD2 4.28Å; C647-L720 VanDerWaalsContact CB-O 3.26Å; C647-L720 WeakPolarHBondContact CB-O 3.26Å; L650-L720 HydrophobicContact CB-CD1 4.41Å; L650-L720 HydrophobicContact CD2-CD1 4.09Å; L650-L720 HydrophobicContact CD2-CD2 3.86Å; L650-L720 HydrophobicContact CG-CD1 3.95Å; L650-L720 HydrophobicContact CG-CD2 4.45Å; L651-L720 HydrophobicContact CD1-CB 4.09Å; L651-L720 HydrophobicContact CD2-CB 3.92Å; L651-L720 HydrophobicContact CD2-CD1 3.98Å; L651-L720 HydrophobicContact CG-CB 3.83Å; L651-L720 HydrophobicContact CG-CD1 4.03Å; F667-L720 HydrophobicContact CE1-CD2 3.79Å; F667-L720 HydrophobicContact CZ-CD1 4.47Å; F667-L720 HydrophobicContact CZ-CD2 4.13Å; F667-L720 HydrophobicContact CZ-CG 4.4Å; V716-L720 HydrophobicContact CG1-CD1 4.03Å; V716-L720 VanDerWaalsContact O-CG 3.3Å; V716-L720 WeakPolarHBondContact O-CG 3.11Å; V716-L720 PolarHBondContact O-N 2.91Å; K717-L720 PolarHBondContact O-N 3.21Å; L720-L723 HydrophobicContact CD2-CD1 4.43Å; L720-P724 WeakPolarHBondContact O-CD 3.38Å
721	T	98.3	Very high	97	Very high	101 Å²	101	58.4 Å²	58.4	62%	0.62	30%	0.301	S	S	*	.	H	α-helix	trans	-73.5	-33	176.3	-53.8	0	0	0	0	112.2	K717 E718 L719	K717-T721 WeakPolarHBondContact O-CB 3.06Å; K717-T721 PolarHBondContact O-N 2.6Å; K717-T721 PolarHBondContact O-OG1 3.29Å; E718-T721 PolarHBondContact O-N 2.74Å; L719-T721 PolarHBondContact O-N 2.76Å
722	S	97.8	Very high	97	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-92.6	-28.2	-176.1	55.6	0	0	0	0	114.5	E718 L719 A725 M726	E718-S722 WeakPolarHBondContact O-CB 3.46Å; E718-S722 PolarHBondContact O-N 3.13Å; E718-S722 PolarHBondContact O-OG 3.29Å; L719-S722 PolarHBondContact O-N 2.64Å; L719-S722 VanDerWaalsContact O-N 3.13Å; L719-S722 PolarHBondContact O-OG 2.84Å; S722-A725 PolarHBondContact O-N 2.82Å; S722-M726 PolarHBondContact O-N 2.88Å
723	L	97.2	Very high	97	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-49.4	-48.3	-178.3	-89.5	173.6	0	0	0	114.3	L631 T669 Y677 L719 L720 A725 M726 F727	L631-L723 HydrophobicContact CD1-CD1 4.35Å; T669-L723 HydrophobicContact CG2-CD2 3.81Å; Y677-L723 HydrophobicContact CE1-CD2 4.33Å; Y677-L723 HydrophobicContact CE2-CD2 4.25Å; Y677-L723 WeakPolarHBondContact OH-CD2 3.23Å; L719-L723 HydrophobicContact CD1-CD1 4.18Å; L719-L723 HydrophobicContact CD1-CD2 4.09Å; L719-L723 HydrophobicContact CD1-CG 3.77Å; L719-L723 HydrophobicContact CD2-CD1 4.45Å; L719-L723 HydrophobicContact CG-CD1 3.88Å; L719-L723 HydrophobicContact CG-CG 3.98Å; L719-L723 WeakPolarHBondContact O-CB 3.42Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.39Å; L719-L723 PolarHBondContact O-N 2.96Å; L720-L723 HydrophobicContact CD2-CD1 4.43Å; L723-A725 VanDerWaalsContact C-N 3.29Å; L723-A725 PolarHBondContact O-N 2.83Å; L723-M726 WeakPolarHBondContact O-CB 3.25Å; L723-M726 PolarHBondContact O-N 2.87Å; L723-F727 HydrophobicContact CD2-CD2 4.48Å; L723-F727 HydrophobicContact CD2-CE2 3.89Å
724	P	97.1	Very high	97	Very high	39 Å²	39	62.3 Å²	62.3	25%	0.253	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-31.8	-179.7	-22.3	34.9	0	0	0	113.4	K644 C647 L720 S728	K644-P724 HydrophobicContact CB-CB 4.35Å; C647-P724 HydrophobicContact CB-CG 4.2Å; L720-P724 WeakPolarHBondContact O-CD 3.38Å; P724-S728 WeakPolarHBondContact O-CB 3.28Å
725	A	97.3	Very high	97	Very high	66 Å²	66	56.9 Å²	56.9	55%	0.545	30%	0.299	S	S	.	.	H	α-helix	trans	-76.6	-38.8	177.3	0	0	0	0	0	111.8	S722 L723 F727 S728	S722-A725 PolarHBondContact O-N 2.82Å; L723-A725 VanDerWaalsContact C-N 3.29Å; L723-A725 PolarHBondContact O-N 2.83Å; A725-F727 VanDerWaalsContact C-N 3.29Å; A725-F727 PolarHBondContact O-N 2.93Å; A725-S728 WeakPolarHBondContact O-CB 3.49Å; A725-S728 PolarHBondContact O-N 2.83Å; A725-S728 VanDerWaalsContact O-N 3.14Å; A725-S728 PolarHBondContact O-OG 2.9Å
726	M	97.3	Very high	97	Very high	83 Å²	83	56.1 Å²	56.1	41%	0.409	30%	0.295	S	S	.	.	H	α-helix	trans	-53.8	-41.5	-178.4	-171.9	-179.8	-65.8	0	0	112.9	Y677 M688 S722 L723	Y677-M726 HydrophobicContact CE1-CE 4.23Å; Y677-M726 HydrophobicContact CE1-SD 4.02Å; M688-M726 HydrophobicContact CE-SD 4.43Å; M688-M726 HydrophobicContact SD-SD 3.63Å; M688-M726 VanDerWaalsContact SD-SD 3.63Å; S722-M726 PolarHBondContact O-N 2.88Å; L723-M726 WeakPolarHBondContact O-CB 3.25Å; L723-M726 PolarHBondContact O-N 2.87Å
727	F	96.7	Very high	97	Very high	14 Å²	14	56.2 Å²	56.2	6%	0.061	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	3.1	-179.2	-60.1	-77.5	0	0	0	114.2	V633 V638 L643 T669 H675 Y677 M688 L723 A725 Q729 S730	V633-F727 HydrophobicContact CB-CB 4.28Å; V633-F727 HydrophobicContact CB-CD1 3.86Å; V633-F727 HydrophobicContact CB-CD2 4.04Å; V633-F727 HydrophobicContact CB-CE1 4.21Å; V633-F727 HydrophobicContact CB-CE2 4.37Å; V633-F727 HydrophobicContact CB-CG 3.77Å; V633-F727 HydrophobicContact CB-CZ 4.46Å; V633-F727 HydrophobicContact CG1-CD2 3.84Å; V633-F727 HydrophobicContact CG1-CE2 4.06Å; V633-F727 HydrophobicContact CG1-CG 4.1Å; V633-F727 HydrophobicContact CG2-CD1 3.72Å; V633-F727 HydrophobicContact CG2-CD2 4.4Å; V633-F727 HydrophobicContact CG2-CE1 3.62Å; V633-F727 HydrophobicContact CG2-CE2 4.32Å; V633-F727 HydrophobicContact CG2-CG 4.12Å; V633-F727 HydrophobicContact CG2-CZ 3.94Å; V638-F727 HydrophobicContact CG2-CB 4.02Å; V638-F727 WeakPolarHBondContact CG2-O 3.22Å; L643-F727 HydrophobicContact CD2-CD2 4.33Å; T669-F727 HydrophobicContact CG2-CE2 4.03Å; T669-F727 HydrophobicContact CG2-CZ 4.42Å; T669-F727 WeakPolarHBondContact OG1-CZ 3.38Å; H675-F727 AromaticContact CE1-CE1 3.87Å; H675-F727 AromaticContact ND1-CE1 3.95Å; H675-F727 AromaticContact ND1-CZ 3.85Å; Y677-F727 WeakPolarHBondContact OH-CE2 3.44Å; Y677-F727 WeakPolarHBondContact OH-CZ 3.46Å; M688-F727 HydrophobicContact CE-CE1 4.13Å; M688-F727 HydrophobicContact CE-CZ 3.74Å; L723-F727 HydrophobicContact CD2-CD2 4.48Å; L723-F727 HydrophobicContact CD2-CE2 3.89Å; A725-F727 VanDerWaalsContact C-N 3.29Å; A725-F727 PolarHBondContact O-N 2.93Å; F727-Q729 PolarHBondContact O-N 3.13Å; F727-S730 VanDerWaalsContact O-CB 3.3Å; F727-S730 WeakPolarHBondContact O-CB 3.49Å; F727-S730 PolarHBondContact O-N 2.98Å
728	S	94.5	Very high	97	Very high	61 Å²	61	53 Å²	53	43%	0.427	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-11.6	-173.9	65.3	0	0	0	0	116	P724 A725	P724-S728 WeakPolarHBondContact O-CB 3.28Å; A725-S728 WeakPolarHBondContact O-CB 3.49Å; A725-S728 PolarHBondContact O-N 2.83Å; A725-S728 VanDerWaalsContact O-N 3.14Å; A725-S728 PolarHBondContact O-OG 2.9Å
729	Q	93.1	Very high	97	Very high	158 Å²	158	49.1 Å²	49.1	74%	0.738	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	14.8	176	-63.3	-65.4	-73.7	0	0	112.5	F727	F727-Q729 PolarHBondContact O-N 3.13Å
730	S	92.8	Very high	97	Very high	26 Å²	26	49.1 Å²	49.1	18%	0.182	26%	0.264	C	S	.	.			trans	-60.4	139	178.7	-175.5	0	0	0	0	111.3	F727 E732	F727-S730 VanDerWaalsContact O-CB 3.3Å; F727-S730 WeakPolarHBondContact O-CB 3.49Å; F727-S730 PolarHBondContact O-N 2.98Å; S730-E732 PolarHBondContact OG-N 2.86Å
731	R	94.4	Very high	97	Very high	198 Å²	198	49.3 Å²	49.3	75%	0.747	27%	0.265	S	S	*	.			trans	-117.1	2.9	175.8	-62.2	-174.2	-179	-171.7	-0.8	112.8	T733	R731-T733 PolarHBondContact O-N 3.49Å
732	E	97.3	Very high	97	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	25%	0.25	S	C	.	.			trans	-72.5	113.5	-178	-65.9	-51.6	139.4	0	0	110.4	S634 H635 D671 N672 S730	S634-E732 CarbonylContact C-O 3.4Å; S634-E732 VanDerWaalsContact CA-O 3.29Å; S634-E732 WeakPolarHBondContact CA-O 3.28Å; S634-E732 WeakPolarHBondContact CB-O 3.39Å; H635-E732 PolarHBondContact N-O 3.45Å; D671-E732 HydrophobicContact CB-CB 4.02Å; N672-E732 PolarHBondContact ND2-OE2 2.96Å; S730-E732 PolarHBondContact OG-N 2.86Å
733	T	96.9	Very high	97	Very high	86 Å²	86	45.6 Å²	45.6	53%	0.528	24%	0.236	S	C	.	.			trans	-86.9	-13.4	-178.5	54	0	0	0	0	112.8	R731 Q761	R731-T733 PolarHBondContact O-N 3.49Å; T733-Q761 PolarHBondContact O-NE2 3Å
734	H	97.7	Very high	97.1	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.375	24%	0.236	S	C	.	.			trans	-79.8	156.3	-179.1	-71	-47.5	0	0	0	113.2	S634 D671 N672 T764 L765	S634-H734 VanDerWaalsContact CB-O 3.29Å; S634-H734 WeakPolarHBondContact CB-O 3.42Å; D671-H734 CarbonylContact C-O 3.56Å; D671-H734 VanDerWaalsContact C-O 3.23Å; D671-H734 WeakPolarHBondContact CA-O 3.49Å; D671-H734 CarbonylContact O-C 3.38Å; N672-H734 HydrophobicContact CB-CB 4.03Å; H734-T764 WeakPolarHBondContact CA-OG1 3.29Å; H734-T764 WeakPolarHBondContact CB-OG1 3.49Å; H734-T764 PolarHBondContact ND1-OG1 2.99Å; H734-L765 HydrophobicContact CB-CB 4.44Å; H734-L765 HydrophobicContact CB-CD2 4.18Å
735	S	97.8	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-138.3	106.3	175.7	-174.2	0	0	0	0	109.9	F670 D671 L737 Q759 T764 L765	F670-S735 WeakPolarHBondContact CE2-OG 3.45Å; D671-S735 CarbonylContact O-C 3.52Å; D671-S735 VanDerWaalsContact O-CA 3.24Å; D671-S735 WeakPolarHBondContact O-CA 3.34Å; D671-S735 PolarHBondContact O-N 2.92Å; S735-L737 VanDerWaalsContact C-N 3.33Å; S735-L737 PolarHBondContact O-N 3.26Å; S735-Q759 PolarHBondContact OG-NE2 3.32Å; S735-T764 PolarHBondContact N-OG1 3.32Å; S735-T764 PolarHBondContact O-N 3.01Å; S735-L765 PolarHBondContact O-N 2.89Å
736	A	98.3	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.			trans	-91.2	52.6	-177.3	0	0	0	0	0	112.4	D671 G738 P739 A740 L765	D671-A736 WeakPolarHBondContact O-CB 3.24Å; D671-A736 PolarHBondContact O-N 2.82Å; A736-G738 PolarHBondContact O-N 3.01Å; A736-P739 HydrophobicContact CB-CG 4.37Å; A736-P739 WeakPolarHBondContact O-CD 3.47Å; A736-A740 PolarHBondContact O-N 3.1Å; A736-A740 VanDerWaalsContact O-N 3.14Å; A736-L765 HydrophobicContact CB-CB 4.32Å; A736-L765 HydrophobicContact CB-CD2 4.49Å
737	L	98.6	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-44.1	-171.6	176.9	59.9	0	0	0	114	F670 S735 A740 L741 L757 Q759 P763 Y795 L824	F670-L737 HydrophobicContact CE1-CD1 4.45Å; F670-L737 HydrophobicContact CE2-CB 4Å; F670-L737 HydrophobicContact CE2-CD1 3.98Å; F670-L737 HydrophobicContact CZ-CD1 3.68Å; S735-L737 VanDerWaalsContact C-N 3.33Å; S735-L737 PolarHBondContact O-N 3.26Å; L737-A740 PolarHBondContact O-N 3.36Å; L737-L741 HydrophobicContact CD1-CD1 3.8Å; L737-L741 HydrophobicContact CD1-CG 3.8Å; L737-L741 HydrophobicContact CD2-CD1 4.3Å; L737-L741 HydrophobicContact CG-CD1 3.8Å; L737-L741 HydrophobicContact CG-CG 4.25Å; L737-L741 WeakPolarHBondContact O-CB 3.2Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 2.78Å; L737-L757 HydrophobicContact CD1-CD1 3.39Å; L737-L757 HydrophobicContact CD1-CD2 3.72Å; L737-L757 HydrophobicContact CD1-CG 4.19Å; L737-L757 HydrophobicContact CD2-CD2 4.26Å; L737-Q759 HydrophobicContact CD2-CG 4.38Å; L737-P763 HydrophobicContact CB-CB 3.9Å; L737-P763 HydrophobicContact CB-CG 3.78Å; L737-P763 HydrophobicContact CD2-CG 3.59Å; L737-P763 HydrophobicContact CG-CG 4.29Å; L737-Y795 HydrophobicContact CD2-CE1 3.97Å; L737-Y795 HydrophobicContact CG-CE1 4.41Å; L737-L824 HydrophobicContact CD2-CD2 3.82Å
738	G	98.3	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-51.9	-178.3	0	0	0	0	0	113	A736 A740 L741 Q742 A767	A736-G738 PolarHBondContact O-N 3.01Å; G738-A740 PolarHBondContact O-N 2.9Å; G738-L741 CarbonylContact O-C 3.58Å; G738-L741 PolarHBondContact O-N 2.81Å; G738-L741 VanDerWaalsContact O-N 3.16Å; G738-Q742 WeakPolarHBondContact O-CG 3.47Å; G738-Q742 PolarHBondContact O-N 2.82Å; G738-Q742 PolarHBondContact O-OE1 3.38Å; G738-A767 WeakPolarHBondContact CA-O 3.4Å
739	P	98.4	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-52.4	-45.7	170.2	-30.6	36	0	0	0	113.9	V674 I694 V697 A736 L741 Q742 A743	V674-P739 HydrophobicContact CG2-CB 4.24Å; I694-P739 HydrophobicContact CB-CB 3.96Å; I694-P739 HydrophobicContact CB-CG 3.91Å; I694-P739 HydrophobicContact CG2-CB 4.39Å; I694-P739 VanDerWaalsContact O-CG 3.31Å; I694-P739 WeakPolarHBondContact O-CG 3.12Å; V697-P739 HydrophobicContact CG2-CB 3.74Å; A736-P739 HydrophobicContact CB-CG 4.37Å; A736-P739 WeakPolarHBondContact O-CD 3.47Å; P739-L741 VanDerWaalsContact C-N 3.34Å; P739-L741 PolarHBondContact O-N 2.93Å; P739-Q742 PolarHBondContact O-N 2.89Å; P739-A743 PolarHBondContact O-N 2.84Å
740	A	98.6	Very high	97.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-36.6	177.1	0	0	0	0	0	112.8	V630 F670 V674 A736 L737 G738 A743 A744	V630-A740 HydrophobicContact CG1-CB 4.33Å; F670-A740 HydrophobicContact CB-CB 3.75Å; F670-A740 HydrophobicContact CD1-CB 3.78Å; F670-A740 HydrophobicContact CD2-CB 4.05Å; F670-A740 HydrophobicContact CE1-CB 4.43Å; F670-A740 HydrophobicContact CG-CB 3.57Å; V674-A740 HydrophobicContact CG2-CB 4.21Å; A736-A740 PolarHBondContact O-N 3.1Å; A736-A740 VanDerWaalsContact O-N 3.14Å; L737-A740 PolarHBondContact O-N 3.36Å; G738-A740 PolarHBondContact O-N 2.9Å; A740-A743 WeakPolarHBondContact O-CB 3.49Å; A740-A743 PolarHBondContact O-N 3.18Å; A740-A744 WeakPolarHBondContact O-CB 3Å; A740-A744 PolarHBondContact O-N 3.37Å
741	L	98.6	Very high	97.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-72.9	-34.5	174.6	-81.5	176.2	0	0	0	113	L737 G738 P739 A743 A744 F745 L757 Y795 L798 V809 V827	L737-L741 HydrophobicContact CD1-CD1 3.8Å; L737-L741 HydrophobicContact CD1-CG 3.8Å; L737-L741 HydrophobicContact CD2-CD1 4.3Å; L737-L741 HydrophobicContact CG-CD1 3.8Å; L737-L741 HydrophobicContact CG-CG 4.25Å; L737-L741 WeakPolarHBondContact O-CB 3.2Å; L737-L741 WeakPolarHBondContact O-CG 3.49Å; L737-L741 PolarHBondContact O-N 2.78Å; G738-L741 CarbonylContact O-C 3.58Å; G738-L741 PolarHBondContact O-N 2.81Å; G738-L741 VanDerWaalsContact O-N 3.16Å; P739-L741 VanDerWaalsContact C-N 3.34Å; P739-L741 PolarHBondContact O-N 2.93Å; L741-A743 VanDerWaalsContact C-N 3.35Å; L741-A744 PolarHBondContact O-N 3.49Å; L741-F745 PolarHBondContact O-N 3.1Å; L741-L757 HydrophobicContact CD1-CD2 4.28Å; L741-L757 HydrophobicContact CD2-CD2 4.26Å; L741-Y795 HydrophobicContact CD1-CD1 4.26Å; L741-Y795 HydrophobicContact CD1-CE1 4.08Å; L741-L798 HydrophobicContact CB-CD2 3.61Å; L741-L798 HydrophobicContact CD1-CD2 4.37Å; L741-L798 HydrophobicContact CG-CD2 4.49Å; L741-V809 HydrophobicContact CD2-CG1 4.32Å; L741-V827 HydrophobicContact CD1-CG2 4.19Å
742	Q	98.3	Very high	97.8	Very high	64 Å²	64	28.8 Å²	28.8	30%	0.299	15%	0.153	S	C	.	.	H	α-helix	trans	-66.1	-38.5	171.7	-72.5	168.6	-72.2	0	0	111.1	G738 P739 F745 K746 F794	G738-Q742 WeakPolarHBondContact O-CG 3.47Å; G738-Q742 PolarHBondContact O-N 2.82Å; G738-Q742 PolarHBondContact O-OE1 3.38Å; P739-Q742 PolarHBondContact O-N 2.89Å; Q742-F745 PolarHBondContact O-N 3.31Å; Q742-K746 WeakPolarHBondContact O-CG 3.37Å; Q742-K746 PolarHBondContact O-N 3.28Å; Q742-F794 HydrophobicContact CG-CE2 4.39Å; Q742-F794 HydrophobicContact CG-CZ 4.11Å
743	A	98.2	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-47.5	170.5	0	0	0	0	0	111.8	L668 V674 F676 V697 I699 P739 A740 L741 F745 K746 L747	L668-A743 HydrophobicContact CD1-CB 4.32Å; V674-A743 HydrophobicContact CG1-CB 4.22Å; F676-A743 HydrophobicContact CE1-CB 4.07Å; F676-A743 HydrophobicContact CZ-CB 3.81Å; V697-A743 HydrophobicContact CG1-CB 3.76Å; I699-A743 HydrophobicContact CD1-CB 4.34Å; I699-A743 WeakPolarHBondContact CD1-O 3.45Å; P739-A743 PolarHBondContact O-N 2.84Å; A740-A743 WeakPolarHBondContact O-CB 3.49Å; A740-A743 PolarHBondContact O-N 3.18Å; L741-A743 VanDerWaalsContact C-N 3.35Å; A743-F745 VanDerWaalsContact C-N 3.3Å; A743-F745 PolarHBondContact O-N 3.01Å; A743-K746 PolarHBondContact O-N 2.95Å; A743-L747 VanDerWaalsContact O-CB 3.28Å; A743-L747 WeakPolarHBondContact O-CB 3.35Å; A743-L747 PolarHBondContact O-N 2.61Å
744	A	98.4	Very high	97.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-40.8	176.3	0	0	0	0	0	112.3	L628 V630 L668 A740 L741 M748 V755	L628-A744 HydrophobicContact CD2-CB 3.76Å; V630-A744 HydrophobicContact CG2-CB 4.05Å; L668-A744 HydrophobicContact CD1-CB 4.07Å; A740-A744 WeakPolarHBondContact O-CB 3Å; A740-A744 PolarHBondContact O-N 3.37Å; L741-A744 PolarHBondContact O-N 3.49Å; A744-M748 VanDerWaalsContact O-CB 3.25Å; A744-M748 WeakPolarHBondContact O-CB 3.24Å; A744-M748 WeakPolarHBondContact O-CG 3.28Å; A744-M748 PolarHBondContact O-N 2.55Å; A744-V755 HydrophobicContact CB-CG1 4.41Å; A744-V755 HydrophobicContact CB-CG2 4.48Å
745	F	98.3	Very high	97.9	Very high	48 Å²	48	17.6 Å²	17.6	21%	0.211	10%	0.095	C	C	.	.	H	α-helix	trans	-63.2	-53.2	172.9	170	-105.8	0	0	0	112.4	L741 Q742 A743 L747 M748 S749 L798 D801 Q805 I807	L741-F745 PolarHBondContact O-N 3.1Å; Q742-F745 PolarHBondContact O-N 3.31Å; A743-F745 VanDerWaalsContact C-N 3.3Å; A743-F745 PolarHBondContact O-N 3.01Å; F745-L747 VanDerWaalsContact C-N 3.28Å; F745-L747 PolarHBondContact O-N 2.76Å; F745-M748 PolarHBondContact O-N 2.82Å; F745-S749 WeakPolarHBondContact O-CB 3.47Å; F745-S749 PolarHBondContact O-N 2.88Å; F745-L798 HydrophobicContact CB-CD1 3.92Å; F745-L798 HydrophobicContact CD1-CD1 4.45Å; F745-L798 HydrophobicContact CG-CD1 4.11Å; F745-D801 HydrophobicContact CD2-CB 4.46Å; F745-D801 HydrophobicContact CE2-CB 3.86Å; F745-D801 HydrophobicContact CZ-CB 3.94Å; F745-Q805 HydrophobicContact CE2-CB 4.42Å; F745-Q805 HydrophobicContact CE2-CG 3.82Å; F745-Q805 HydrophobicContact CZ-CG 4.24Å; F745-I807 HydrophobicContact CD2-CD1 3.84Å; F745-I807 HydrophobicContact CE2-CD1 4.38Å
746	K	97.6	Very high	98	Very high	78 Å²	78	17.6 Å²	17.6	34%	0.339	10%	0.095	S	C	.	.	H	α-helix	trans	-54.1	-45.7	178.4	-75.4	-179.1	-178.1	-177.1	0	110.7	D696 V697 I699 Q742 A743	D696-K746 IonicContact OD1-NZ 3.98Å; D696-K746 PolarHBondContact OD1-NZ 3.16Å; V697-K746 WeakPolarHBondContact O-CD 3.29Å; V697-K746 WeakPolarHBondContact O-CE 3.26Å; V697-K746 PolarHBondContact O-NZ 2.89Å; I699-K746 HydrophobicContact CD1-CB 3.92Å; I699-K746 HydrophobicContact CG1-CB 3.73Å; Q742-K746 WeakPolarHBondContact O-CG 3.37Å; Q742-K746 PolarHBondContact O-N 3.28Å; A743-K746 PolarHBondContact O-N 2.95Å
747	L	97.6	Very high	98	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-40.1	-178.3	-174.8	61.1	0	0	0	114	L628 L668 I699 L705 M706 A743 F745	L628-L747 HydrophobicContact CD1-CD2 4.26Å; L628-L747 HydrophobicContact CD2-CD2 4.1Å; L668-L747 HydrophobicContact CD2-CD2 4.47Å; I699-L747 HydrophobicContact CD1-CB 4.01Å; I699-L747 HydrophobicContact CG2-CD1 3.78Å; L705-L747 HydrophobicContact CB-CD1 4.15Å; L705-L747 HydrophobicContact CB-CD2 4.42Å; L705-L747 HydrophobicContact CD1-CD1 4.35Å; M706-L747 HydrophobicContact CG-CD1 3.81Å; M706-L747 HydrophobicContact CG-CD2 4.05Å; M706-L747 HydrophobicContact CG-CG 3.68Å; M706-L747 HydrophobicContact SD-CD2 3.75Å; M706-L747 HydrophobicContact SD-CG 3.96Å; A743-L747 VanDerWaalsContact O-CB 3.28Å; A743-L747 WeakPolarHBondContact O-CB 3.35Å; A743-L747 PolarHBondContact O-N 2.61Å; F745-L747 VanDerWaalsContact C-N 3.28Å; F745-L747 PolarHBondContact O-N 2.76Å
748	M	97.5	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-86.3	-18.6	-176.5	-68.2	-76.9	-79.3	0	0	113.8	V626 L628 M706 A744 F745 P750 T751 G752 V755 I807	V626-M748 HydrophobicContact CB-CE 4.39Å; V626-M748 HydrophobicContact CG1-CE 3.89Å; V626-M748 HydrophobicContact CG1-SD 3.72Å; L628-M748 HydrophobicContact CB-CE 4.12Å; L628-M748 HydrophobicContact CB-CG 4.15Å; L628-M748 HydrophobicContact CB-SD 3.65Å; L628-M748 HydrophobicContact CD2-CG 3.53Å; L628-M748 HydrophobicContact CD2-SD 4.05Å; L628-M748 HydrophobicContact CG-CG 4.49Å; L628-M748 HydrophobicContact CG-SD 4.49Å; M706-M748 HydrophobicContact CE-SD 3.69Å; M706-M748 HydrophobicContact SD-SD 4.32Å; A744-M748 VanDerWaalsContact O-CB 3.25Å; A744-M748 WeakPolarHBondContact O-CB 3.24Å; A744-M748 WeakPolarHBondContact O-CG 3.28Å; A744-M748 PolarHBondContact O-N 2.55Å; F745-M748 PolarHBondContact O-N 2.82Å; M748-P750 VanDerWaalsContact C-N 3.35Å; M748-T751 PolarHBondContact O-N 3.11Å; M748-T751 VanDerWaalsContact O-N 3.12Å; M748-T751 PolarHBondContact O-OG1 3.24Å; M748-G752 PolarHBondContact O-N 2.96Å; M748-V755 HydrophobicContact CE-CG2 4.18Å; M748-V755 HydrophobicContact CG-CG2 4.08Å; M748-I807 HydrophobicContact CB-CD1 3.62Å; M748-I807 HydrophobicContact CB-CG1 3.87Å; M748-I807 HydrophobicContact CB-CG2 4.44Å
749	S	96.9	Very high	98.1	Very high	33 Å²	33	17.6 Å²	17.6	23%	0.231	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-42.1	-176.3	-178.5	0	0	0	0	115.1	F745 T751	F745-S749 WeakPolarHBondContact O-CB 3.47Å; F745-S749 PolarHBondContact O-N 2.88Å; S749-T751 VanDerWaalsContact C-N 3.31Å; S749-T751 PolarHBondContact O-N 3.04Å
750	P	95.7	Very high	98.1	Very high	88 Å²	88	17.7 Å²	17.7	57%	0.571	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-30.5	-178.8	-23.8	35.8	0	0	0	114.7	M748	M748-P750 VanDerWaalsContact C-N 3.35Å
751	T	96	Very high	98	Very high	38 Å²	38	19.5 Å²	19.5	23%	0.233	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-32.8	-175	52.7	0	0	0	0	113.8	R620 Q623 M748 S749	R620-T751 PolarHBondContact NH1-O 2.77Å; R620-T751 VanDerWaalsContact NH1-O 3.13Å; R620-T751 PolarHBondContact NH2-O 3.12Å; Q623-T751 PolarHBondContact NE2-O 3.32Å; M748-T751 PolarHBondContact O-N 3.11Å; M748-T751 VanDerWaalsContact O-N 3.12Å; M748-T751 PolarHBondContact O-OG1 3.24Å; S749-T751 VanDerWaalsContact C-N 3.31Å; S749-T751 PolarHBondContact O-N 3.04Å
752	G	97.9	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.			trans	72.8	-171.9	-153.8	0	0	0	0	0	111.5	M748 Q805 Q806	M748-G752 PolarHBondContact O-N 2.96Å; G752-Q805 WeakPolarHBondContact CA-O 3.47Å; G752-Q806 WeakPolarHBondContact CA-O 3.28Å
753	G	98.3	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-153.2	178	0	0	0	0	0	113.1	Q806 I807 G808 N900	G753-Q806 PolarHBondContact N-O 2.76Å; G753-I807 WeakPolarHBondContact O-CA 3.41Å; G753-G808 PolarHBondContact O-N 2.73Å; G753-N900 PolarHBondContact O-ND2 3.27Å; G753-N900 PolarHBondContact O-OD1 3.3Å
754	R	98.7	Very high	97.9	Very high	4 Å²	4	20 Å²	20	2%	0.015	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.6	177.1	-173.8	177.6	81.3	166.4	-0	110.6	V626 Y627 L628 D810 Y860 F867 N900	V626-R754 PolarHBondContact O-N 3.27Å; Y627-R754 WeakPolarHBondContact CA-O 3.31Å; Y627-R754 HydrophobicContact CD1-CB 4.05Å; Y627-R754 HydrophobicContact CE1-CB 4.3Å; L628-R754 PolarHBondContact N-O 3.16Å; R754-D810 VanDerWaalsContact CD-OD2 3.26Å; R754-D810 WeakPolarHBondContact CD-OD2 3.34Å; R754-D810 WeakPolarHBondContact CG-OD2 3.28Å; R754-Y860 VanDerWaalsContact CD-OH 3.28Å; R754-Y860 WeakPolarHBondContact CD-OH 3.46Å; R754-Y860 VanDerWaalsContact CZ-CE1 3.49Å; R754-Y860 VanDerWaalsContact CZ-CZ 3.4Å; R754-Y860 VanDerWaalsContact CZ-OH 3.32Å; R754-Y860 PolarHBondContact NE-OH 3.05Å; R754-Y860 VanDerWaalsContact NE-OH 3.11Å; R754-Y860 PolarHBondContact NH1-O 3.32Å; R754-F867 HydrophobicContact CB-CE1 4.3Å; R754-N900 WeakPolarHBondContact CA-OD1 3.4Å; R754-N900 VanDerWaalsContact CB-OD1 3.24Å; R754-N900 WeakPolarHBondContact CB-OD1 3.29Å; R754-N900 WeakPolarHBondContact CG-OD1 3.46Å
755	V	98.9	Very high	97.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.5	168.4	177.8	0	0	0	0	108.3	L628 V630 A744 M748 I807 G808 V809 D810	L628-V755 HydrophobicContact CB-CG2 4.35Å; L628-V755 HydrophobicContact CD2-CG2 4.43Å; L628-V755 CarbonylContact O-C 3.41Å; L628-V755 WeakPolarHBondContact O-CA 3.38Å; V630-V755 HydrophobicContact CG2-CG1 3.73Å; A744-V755 HydrophobicContact CB-CG1 4.41Å; A744-V755 HydrophobicContact CB-CG2 4.48Å; M748-V755 HydrophobicContact CE-CG2 4.18Å; M748-V755 HydrophobicContact CG-CG2 4.08Å; V755-I807 HydrophobicContact CG2-CG2 3.62Å; V755-G808 PolarHBondContact N-O 2.89Å; V755-V809 HydrophobicContact CB-CB 4.5Å; V755-V809 HydrophobicContact CB-CG1 4.25Å; V755-V809 HydrophobicContact CB-CG2 4.24Å; V755-V809 HydrophobicContact CG1-CG1 4.14Å; V755-V809 WeakPolarHBondContact O-CA 3.44Å; V755-D810 PolarHBondContact O-N 2.97Å
756	T	98.9	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106	173.2	-46	0	0	0	0	108.7	L628 F629 V630 F758 F812 Y860	L628-T756 PolarHBondContact O-N 2.82Å; F629-T756 HydrophobicContact CD1-CG2 4.39Å; V630-T756 PolarHBondContact N-O 3.47Å; T756-F758 HydrophobicContact CG2-CD2 4.28Å; T756-F758 HydrophobicContact CG2-CE2 3.43Å; T756-F758 VanDerWaalsContact CG2-CE2 3.43Å; T756-F758 HydrophobicContact CG2-CZ 3.86Å; T756-F812 HydrophobicContact CG2-CD2 3.87Å; T756-F812 HydrophobicContact CG2-CE2 3.74Å; T756-Y860 HydrophobicContact CG2-CE1 3.54Å; T756-Y860 WeakPolarHBondContact CG2-OH 3.36Å; T756-Y860 PolarHBondContact OG1-OH 2.97Å
757	L	98.9	Very high	97.8	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.8	-179.4	167.8	63.7	0	0	0	110.8	V630 F670 L737 L741 D810 L811 F812	V630-L757 HydrophobicContact CB-CD1 4.32Å; V630-L757 HydrophobicContact CG1-CD1 4.13Å; V630-L757 CarbonylContact O-C 3.56Å; V630-L757 WeakPolarHBondContact O-CA 3.11Å; F670-L757 HydrophobicContact CE1-CD1 4.1Å; F670-L757 HydrophobicContact CZ-CD1 4.04Å; L737-L757 HydrophobicContact CD1-CD1 3.39Å; L737-L757 HydrophobicContact CD1-CD2 3.72Å; L737-L757 HydrophobicContact CD1-CG 4.19Å; L737-L757 HydrophobicContact CD2-CD2 4.26Å; L741-L757 HydrophobicContact CD1-CD2 4.28Å; L741-L757 HydrophobicContact CD2-CD2 4.26Å; L757-D810 PolarHBondContact N-O 3.13Å; L757-L811 HydrophobicContact CD2-CD1 3.73Å; L757-L811 HydrophobicContact CG-CD1 4.02Å; L757-F812 PolarHBondContact O-N 2.6Å
758	F	98.9	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.5	169.5	-63.1	-104.9	0	0	0	109.2	F629 V630 L631 D632 Y642 F646 T756 F812 L814 F853 L857	F629-F758 HydrophobicContact CD1-CE2 4.37Å; V630-F758 PolarHBondContact O-N 2.7Å; L631-F758 HydrophobicContact CD2-CB 4.15Å; L631-F758 HydrophobicContact CD2-CD2 3.43Å; L631-F758 VanDerWaalsContact CD2-CD2 3.43Å; L631-F758 HydrophobicContact CD2-CE2 4.04Å; L631-F758 HydrophobicContact CD2-CG 3.95Å; D632-F758 VanDerWaalsContact CB-O 3.27Å; D632-F758 WeakPolarHBondContact CB-O 3.38Å; D632-F758 PolarHBondContact N-O 3.3Å; Y642-F758 HydrophobicContact CD2-CB 4.45Å; Y642-F758 AromaticContact CD2-CD1 3.94Å; Y642-F758 HydrophobicContact CD2-CD1 3.94Å; Y642-F758 HydrophobicContact CD2-CG 4.48Å; Y642-F758 HydrophobicContact CE2-CB 3.53Å; Y642-F758 AromaticContact CE2-CD1 3.67Å; Y642-F758 HydrophobicContact CE2-CD1 3.67Å; Y642-F758 AromaticContact CE2-CG 3.77Å; Y642-F758 HydrophobicContact CE2-CG 3.77Å; F646-F758 AromaticContact CD2-CE1 3.79Å; F646-F758 HydrophobicContact CD2-CE1 3.79Å; F646-F758 AromaticContact CD2-CE2 3.75Å; F646-F758 HydrophobicContact CD2-CE2 3.75Å; F646-F758 AromaticContact CD2-CZ 3.32Å; F646-F758 HydrophobicContact CD2-CZ 3.32Å; F646-F758 HydrophobicContact CE2-CD2 4.46Å; F646-F758 HydrophobicContact CE2-CE1 4.39Å; F646-F758 AromaticContact CE2-CE2 3.53Å; F646-F758 HydrophobicContact CE2-CE2 3.53Å; F646-F758 AromaticContact CE2-CZ 3.5Å; F646-F758 HydrophobicContact CE2-CZ 3.5Å; F646-F758 HydrophobicContact CG-CE1 4.49Å; F646-F758 HydrophobicContact CG-CZ 4.34Å; F646-F758 HydrophobicContact CZ-CE2 4.3Å; T756-F758 HydrophobicContact CG2-CD2 4.28Å; T756-F758 HydrophobicContact CG2-CE2 3.43Å; T756-F758 VanDerWaalsContact CG2-CE2 3.43Å; T756-F758 HydrophobicContact CG2-CZ 3.86Å; F758-F812 WeakPolarHBondContact CA-O 3.41Å; F758-F812 HydrophobicContact CD1-CB 3.7Å; F758-F812 HydrophobicContact CD1-CG 4.11Å; F758-F812 HydrophobicContact CE1-CB 3.94Å; F758-F812 AromaticContact CE1-CD1 3.95Å; F758-F812 HydrophobicContact CE1-CD1 3.95Å; F758-F812 HydrophobicContact CE1-CD2 4.28Å; F758-F812 AromaticContact CE1-CG 3.81Å; F758-F812 HydrophobicContact CE1-CG 3.81Å; F758-F812 HydrophobicContact CG-CB 4.19Å; F758-F812 HydrophobicContact CZ-CD2 4.23Å; F758-F812 HydrophobicContact CZ-CG 4.22Å; F758-L814 HydrophobicContact CD1-CD1 4.16Å; F758-F853 HydrophobicContact CD1-CE2 4.28Å; F758-F853 HydrophobicContact CD1-CZ 4.34Å; F758-F853 AromaticContact CE1-CE2 3.78Å; F758-F853 HydrophobicContact CE1-CE2 3.78Å; F758-F853 AromaticContact CE1-CZ 3.83Å; F758-F853 HydrophobicContact CE1-CZ 3.83Å; F758-L857 HydrophobicContact CZ-CD1 4.23Å
759	Q	98.7	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.4	-177.6	-175.9	71.3	22.4	0	0	109.1	F670 S735 L737 Q761 L811 F812 L813 L814 L824	F670-Q759 VanDerWaalsContact CZ-OE1 3.24Å; S735-Q759 PolarHBondContact OG-NE2 3.32Å; L737-Q759 HydrophobicContact CD2-CG 4.38Å; Q759-Q761 WeakPolarHBondContact CG-O 3.27Å; Q759-Q761 PolarHBondContact NE2-O 2.8Å; Q759-L811 HydrophobicContact CB-CD1 4.3Å; Q759-F812 PolarHBondContact N-O 2.98Å; Q759-L813 HydrophobicContact CB-CD1 4.27Å; Q759-L813 HydrophobicContact CG-CD1 4.22Å; Q759-L813 WeakPolarHBondContact O-CA 3.28Å; Q759-L814 PolarHBondContact O-N 2.86Å; Q759-L824 HydrophobicContact CG-CD1 4.37Å
760	T	98.3	Very high	97.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	14%	0.138	C	C	.	.			trans	-117.9	-12.9	178.6	74.6	0	0	0	0	114.4	D632 N636 A637 Y642 L814 S815	D632-T760 PolarHBondContact OD2-N 2.86Å; N636-T760 VanDerWaalsContact OD1-CB 3.3Å; N636-T760 WeakPolarHBondContact OD1-CB 3.45Å; N636-T760 PolarHBondContact OD1-O 2.79Å; N636-T760 PolarHBondContact OD1-OG1 2.9Å; A637-T760 WeakPolarHBondContact CA-OG1 3.46Å; A637-T760 HydrophobicContact CB-CG2 3.89Å; A637-T760 PolarHBondContact N-OG1 3.44Å; Y642-T760 HydrophobicContact CD1-CG2 3.67Å; Y642-T760 HydrophobicContact CE1-CG2 3.67Å; T760-L814 HydrophobicContact CG2-CB 4.22Å; T760-S815 WeakPolarHBondContact O-CA 3.37Å; T760-S815 WeakPolarHBondContact O-CB 3.43Å
761	Q	97.4	Very high	97.9	Very high	39 Å²	39	26.1 Å²	26.1	18%	0.182	14%	0.142	C	C	.	.	S	Bend	trans	-140.6	177.7	179.2	55.2	169.4	-17.3	0	0	113.6	S634 N636 T733 Q759	S634-Q761 PolarHBondContact OG-NE2 2.73Å; N636-Q761 HydrophobicContact CB-CB 4.44Å; N636-Q761 HydrophobicContact CB-CG 4.24Å; T733-Q761 PolarHBondContact O-NE2 3Å; Q759-Q761 WeakPolarHBondContact CG-O 3.27Å; Q759-Q761 PolarHBondContact NE2-O 2.8Å
762	L	98.1	Very high	98	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.141	16%	0.161	C	C	.	.			trans	-64.5	130.7	172.3	-170.1	74.8	0	0	0	110.3	T764 L770 A819 D820	L762-T764 WeakPolarHBondContact O-CG2 3.47Å; L762-T764 PolarHBondContact O-N 2.88Å; L762-L770 HydrophobicContact CD1-CB 3.57Å; L762-L770 HydrophobicContact CD1-CD1 4.17Å; L762-L770 HydrophobicContact CD2-CB 4.46Å; L762-L770 HydrophobicContact CG-CB 3.94Å; L762-A819 VanDerWaalsContact CD1-C 3.45Å; L762-A819 WeakPolarHBondContact CD1-O 3.4Å; L762-D820 HydrophobicContact CD1-CB 3.83Å
763	P	98.3	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.			trans	-61.6	120.8	175	-27.4	37.3	0	0	0	112.5	L737 K769 L770 L824	L737-P763 HydrophobicContact CB-CB 3.9Å; L737-P763 HydrophobicContact CB-CG 3.78Å; L737-P763 HydrophobicContact CD2-CG 3.59Å; L737-P763 HydrophobicContact CG-CG 4.29Å; P763-K769 WeakPolarHBondContact O-CA 3.45Å; P763-L770 PolarHBondContact O-N 3.19Å; P763-L824 HydrophobicContact CG-CD2 3.83Å
764	T	97.3	Very high	97.7	Very high	52 Å²	52	32 Å²	32	32%	0.319	18%	0.175	S	C	.	.			trans	-100.2	-22.7	-171.1	64.7	0	0	0	0	114	H734 S735 L762	H734-T764 WeakPolarHBondContact CA-OG1 3.29Å; H734-T764 WeakPolarHBondContact CB-OG1 3.49Å; H734-T764 PolarHBondContact ND1-OG1 2.99Å; S735-T764 PolarHBondContact N-OG1 3.32Å; S735-T764 PolarHBondContact O-N 3.01Å; L762-T764 WeakPolarHBondContact O-CG2 3.47Å; L762-T764 PolarHBondContact O-N 2.88Å
765	L	97.5	Very high	97.2	Very high	50 Å²	50	34.6 Å²	34.6	26%	0.262	19%	0.189	S	C	.	.	S	Bend	trans	-135.5	152.4	-161.2	-166.3	65.1	0	0	0	112.3	N672 I694 H734 S735 A736	N672-L765 HydrophobicContact CB-CD2 4.1Å; I694-L765 HydrophobicContact CD1-CD1 4.31Å; I694-L765 HydrophobicContact CD1-CD2 3.74Å; I694-L765 HydrophobicContact CD1-CG 3.56Å; H734-L765 HydrophobicContact CB-CB 4.44Å; H734-L765 HydrophobicContact CB-CD2 4.18Å; S735-L765 PolarHBondContact O-N 2.89Å; A736-L765 HydrophobicContact CB-CB 4.32Å; A736-L765 HydrophobicContact CB-CD2 4.49Å
766	G	97.2	Very high	96.7	Very high	16 Å²	16	38 Å²	38	17%	0.165	21%	0.211	C	C	.	.	S	Bend	trans	70.6	-161.8	179.2	0	0	0	0	0	114.9	K769	G766-K769 WeakPolarHBondContact O-CB 3.24Å; G766-K769 WeakPolarHBondContact O-CG 3.49Å
767	A	97	Very high	96.3	Very high	33 Å²	33	44.9 Å²	44.9	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	149.5	172.8	0	0	0	0	0	111.6	G738 K769 F794	G738-A767 WeakPolarHBondContact CA-O 3.4Å; A767-K769 PolarHBondContact O-N 2.69Å; A767-K769 VanDerWaalsContact O-N 3.11Å; A767-F794 HydrophobicContact CB-CD2 4.38Å; A767-F794 HydrophobicContact CB-CE2 3.68Å; A767-F794 HydrophobicContact CB-CZ 4.11Å
768	G	96.9	Very high	95.6	Very high	12 Å²	12	47.6 Å²	47.6	12%	0.124	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	5.6	179.2	0	0	0	0	0	115.9	Y795	G768-Y795 VanDerWaalsContact O-CE2 3.27Å; G768-Y795 WeakPolarHBondContact O-CE2 3.46Å; G768-Y795 PolarHBondContact O-OH 2.84Å
769	K	97.8	Very high	95	Very high	127 Å²	127	50.6 Å²	50.6	55%	0.552	27%	0.271	S	S	*	.			trans	-53.7	142.1	173.9	70	-174.5	-178.6	-173.2	0	111.7	P763 G766 A767	P763-K769 WeakPolarHBondContact O-CA 3.45Å; G766-K769 WeakPolarHBondContact O-CB 3.24Å; G766-K769 WeakPolarHBondContact O-CG 3.49Å; A767-K769 PolarHBondContact O-N 2.69Å; A767-K769 VanDerWaalsContact O-N 3.11Å
770	L	98.3	Very high	94.4	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	29%	0.291	C	S	.	.			trans	-113.6	172.3	-174	-62	-178.5	0	0	0	111.3	L762 P763 A791 T792 Y795 D820 L824	L762-L770 HydrophobicContact CD1-CB 3.57Å; L762-L770 HydrophobicContact CD1-CD1 4.17Å; L762-L770 HydrophobicContact CD2-CB 4.46Å; L762-L770 HydrophobicContact CG-CB 3.94Å; P763-L770 PolarHBondContact O-N 3.19Å; L770-A791 HydrophobicContact CD2-CB 4.05Å; L770-T792 HydrophobicContact CD2-CG2 3.79Å; L770-Y795 HydrophobicContact CD1-CE2 4.19Å; L770-Y795 HydrophobicContact CD2-CE2 4.05Å; L770-Y795 HydrophobicContact CG-CE2 4.23Å; L770-D820 HydrophobicContact CD1-CB 3.97Å; L770-L824 HydrophobicContact CD1-CD2 3.8Å; L770-L824 HydrophobicContact CD1-CG 4.29Å
771	Q	97.1	Very high	93.8	Very high	140 Å²	140	54.6 Å²	54.6	65%	0.654	30%	0.3	S	S	*	.			trans	-127.1	147	178.7	-65.6	-62.4	-62.1	0	0	109.9	R773	Q771-R773 PolarHBondContact O-N 3.03Å
772	S	96.6	Very high	93	Very high	90 Å²	90	58.2 Å²	58.2	63%	0.629	32%	0.324	S	S	*	.			trans	-74.8	74.9	-179.3	-177.4	0	0	0	0	111.5
773	R	95.9	Very high	92	Very high	53 Å²	53	66.4 Å²	66.4	20%	0.2	36%	0.359	C	S	.	.			trans	-87.8	-2.3	-175.6	64.6	-177.2	176.1	133.5	11.1	115.7	Q771 D775 H787 G789 Y818 D820 S822	Q771-R773 PolarHBondContact O-N 3.03Å; R773-D775 PolarHBondContact O-N 2.93Å; R773-H787 HydrophobicContact CG-CB 4.28Å; R773-H787 PolarHBondContact O-CD2 3.22Å; R773-H787 PolarHBondContact O-NE2 2.82Å; R773-G789 PolarHBondContact NH1-O 2.85Å; R773-G789 PolarHBondContact NH2-O 2.94Å; R773-Y818 HydrophobicContact CG-CE1 4.23Å; R773-Y818 VanDerWaalsContact CG-OH 3.31Å; R773-Y818 WeakPolarHBondContact CG-OH 3.3Å; R773-D820 IonicContact CZ-OD1 3.01Å; R773-D820 IonicContact CZ-OD2 2.69Å; R773-D820 VanDerWaalsContact CZ-OD2 3.31Å; R773-D820 IonicContact NE-OD1 3.73Å; R773-D820 IonicContact NE-OD2 3.27Å; R773-D820 PolarHBondContact NE-OD2 3.36Å; R773-D820 IonicContact NH2-OD1 2.99Å; R773-D820 PolarHBondContact NH2-OD1 3.27Å; R773-D820 IonicContact NH2-OD2 3.6Å; R773-D820 PolarHBondContact NH2-OD2 3.07Å; R773-S822 PolarHBondContact NH2-OG 2.93Å
774	E	94.4	Very high	90.8	Very high	20 Å²	20	67 Å²	67	9%	0.093	36%	0.364	C	S	.	.			trans	-70.9	119.1	169.4	-174	-170.8	-155.2	0	0	110	P776 R779 Y818 R1041 L1042	E774-P776 VanDerWaalsContact O-CD 3.31Å; E774-P776 WeakPolarHBondContact O-CD 3.24Å; E774-R779 VanDerWaalsContact CD-NE 3.3Å; E774-R779 IonicContact OE1-CZ 2.77Å; E774-R779 IonicContact OE1-NE 3.44Å; E774-R779 PolarHBondContact OE1-NE 2.85Å; E774-R779 IonicContact OE1-NH2 2.66Å; E774-R779 IonicContact OE2-CZ 2.84Å; E774-R779 IonicContact OE2-NE 3.31Å; E774-R779 PolarHBondContact OE2-NE 2.61Å; E774-R779 IonicContact OE2-NH2 3.73Å; E774-R779 PolarHBondContact OE2-NH2 3.4Å; E774-Y818 HydrophobicContact CB-CD1 3.91Å; E774-Y818 HydrophobicContact CB-CD2 3.8Å; E774-Y818 HydrophobicContact CB-CE1 3.99Å; E774-Y818 HydrophobicContact CB-CE2 3.89Å; E774-Y818 HydrophobicContact CB-CG 3.8Å; E774-R1041 WeakPolarHBondContact OE1-CA 3.31Å; E774-L1042 HydrophobicContact CB-CB 4.45Å; E774-L1042 HydrophobicContact CB-CD2 4.38Å; E774-L1042 HydrophobicContact CG-CB 3.95Å; E774-L1042 PolarHBondContact OE1-N 3.5Å
775	D	89.2	Confident	90	Very high	58 Å²	58	65.9 Å²	65.9	31%	0.31	36%	0.361	S	S	.	.			trans	-82.2	112.1	165.8	178	-1.2	0	0	0	110	R773 N777 Q778	R773-D775 PolarHBondContact O-N 2.93Å; D775-N777 PolarHBondContact O-N 2.93Å; D775-N777 VanDerWaalsContact O-N 3.16Å; D775-N777 VanDerWaalsContact OD1-CB 3.31Å; D775-N777 WeakPolarHBondContact OD1-CB 3.43Å; D775-N777 PolarHBondContact OD1-N 3.15Å; D775-N777 PolarHBondContact OD1-ND2 2.7Å; D775-Q778 HydrophobicContact CB-CB 4.35Å; D775-Q778 HydrophobicContact CB-CG 4.28Å; D775-Q778 PolarHBondContact O-N 2.8Å; D775-Q778 VanDerWaalsContact O-N 3.15Å; D775-Q778 WeakPolarHBondContact OD2-CG 3.26Å; D775-Q778 PolarHBondContact OD2-NE2 2.93Å
776	P	88.6	Confident	89.5	Confident	73 Å²	73	68.5 Å²	68.5	47%	0.474	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26.8	-178.9	-24.9	37	0	0	0	113.9	E774 Q778 R779	E774-P776 VanDerWaalsContact O-CD 3.31Å; E774-P776 WeakPolarHBondContact O-CD 3.24Å; P776-Q778 VanDerWaalsContact C-N 3.29Å; P776-Q778 PolarHBondContact O-N 2.64Å; P776-R779 WeakPolarHBondContact O-CB 3.29Å; P776-R779 WeakPolarHBondContact O-CG 3.5Å; P776-R779 PolarHBondContact O-N 3.22Å
777	N	88.8	Confident	89.2	Confident	144 Å²	144	71.5 Å²	71.5	77%	0.77	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-72.3	-26.3	-178.2	-54.2	-75.9	0	0	0	111.8	D775	D775-N777 PolarHBondContact O-N 2.93Å; D775-N777 VanDerWaalsContact O-N 3.16Å; D775-N777 VanDerWaalsContact OD1-CB 3.31Å; D775-N777 WeakPolarHBondContact OD1-CB 3.43Å; D775-N777 PolarHBondContact OD1-N 3.15Å; D775-N777 PolarHBondContact OD1-ND2 2.7Å
778	Q	85.5	Confident	89.1	Confident	60 Å²	60	70.6 Å²	70.6	28%	0.28	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-87.3	-2.4	-179.5	-69.5	-175.9	65.1	0	0	113.9	D775 P776 S780 S781 Q786	D775-Q778 HydrophobicContact CB-CB 4.35Å; D775-Q778 HydrophobicContact CB-CG 4.28Å; D775-Q778 PolarHBondContact O-N 2.8Å; D775-Q778 VanDerWaalsContact O-N 3.15Å; D775-Q778 WeakPolarHBondContact OD2-CG 3.26Å; D775-Q778 PolarHBondContact OD2-NE2 2.93Å; P776-Q778 VanDerWaalsContact C-N 3.29Å; P776-Q778 PolarHBondContact O-N 2.64Å; Q778-S780 PolarHBondContact O-N 3.49Å; Q778-S780 VanDerWaalsContact O-N 3.1Å; Q778-S781 WeakPolarHBondContact O-CB 3.4Å; Q778-S781 PolarHBondContact O-N 2.77Å; Q778-Q786 VanDerWaalsContact OE1-NE2 3.13Å
779	R	86.6	Confident	89	Confident	62 Å²	62	71.3 Å²	71.3	23%	0.234	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-57.3	-26.5	179.1	-72.3	176.5	175.7	152.6	-0.3	114.2	E774 P776 S1039 T1040	E774-R779 VanDerWaalsContact CD-NE 3.3Å; E774-R779 IonicContact OE1-CZ 2.77Å; E774-R779 IonicContact OE1-NE 3.44Å; E774-R779 PolarHBondContact OE1-NE 2.85Å; E774-R779 IonicContact OE1-NH2 2.66Å; E774-R779 IonicContact OE2-CZ 2.84Å; E774-R779 IonicContact OE2-NE 3.31Å; E774-R779 PolarHBondContact OE2-NE 2.61Å; E774-R779 IonicContact OE2-NH2 3.73Å; E774-R779 PolarHBondContact OE2-NH2 3.4Å; P776-R779 WeakPolarHBondContact O-CB 3.29Å; P776-R779 WeakPolarHBondContact O-CG 3.5Å; P776-R779 PolarHBondContact O-N 3.22Å; R779-S1039 WeakPolarHBondContact O-CA 3.33Å; R779-T1040 PolarHBondContact O-N 2.84Å
780	S	86.1	Confident	88.9	Confident	58 Å²	58	68.2 Å²	68.2	41%	0.406	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-102.3	15.2	175.6	-56	0	0	0	0	113.5	Q778 T782 G1037 S1039	Q778-S780 PolarHBondContact O-N 3.49Å; Q778-S780 VanDerWaalsContact O-N 3.1Å; S780-T782 PolarHBondContact O-N 2.96Å; S780-G1037 VanDerWaalsContact O-CA 3.27Å; S780-G1037 WeakPolarHBondContact O-CA 3.38Å; S780-S1039 VanDerWaalsContact OG-CA 3.32Å; S780-S1039 WeakPolarHBondContact OG-CA 3.34Å; S780-S1039 WeakPolarHBondContact OG-CB 3.41Å; S780-S1039 PolarHBondContact OG-N 2.92Å
781	S	85.1	Confident	88.9	Confident	28 Å²	28	70.5 Å²	70.5	20%	0.196	39%	0.391	C	S	.	.			trans	-57.3	134.5	-176.5	174.3	0	0	0	0	112.6	Q778 K783 G784 G1037	Q778-S781 WeakPolarHBondContact O-CB 3.4Å; Q778-S781 PolarHBondContact O-N 2.77Å; S781-K783 PolarHBondContact OG-N 3.33Å; S781-G784 WeakPolarHBondContact CB-O 3.42Å; S781-G784 PolarHBondContact OG-N 2.84Å; S781-G784 PolarHBondContact OG-O 3.31Å; S781-G1037 PolarHBondContact O-N 3.2Å; S781-G1037 VanDerWaalsContact O-N 3.16Å
782	T	80.8	Confident	88.9	Confident	114 Å²	114	65.8 Å²	65.8	70%	0.699	37%	0.372	S	S	*	.	S	Bend	trans	-85.2	-18.1	167.2	51	0	0	0	0	112.5	S780 G784	S780-T782 PolarHBondContact O-N 2.96Å; T782-G784 PolarHBondContact O-N 3.04Å
783	K	76.1	Confident	89	Confident	200 Å²	200	66.5 Å²	66.5	87%	0.87	37%	0.369	S	S	*	.	S	Bend	trans	-82.9	9.1	177.8	-61.9	-174.3	177.9	-177.1	0	113.6	S781	S781-K783 PolarHBondContact OG-N 3.33Å
784	G	73.1	Confident	89.1	Confident	11 Å²	11	65.5 Å²	65.5	11%	0.113	37%	0.366	C	S	.	.			trans	92.5	175	-173.6	0	0	0	0	0	113.7	S781 T782	S781-G784 WeakPolarHBondContact CB-O 3.42Å; S781-G784 PolarHBondContact OG-N 2.84Å; S781-G784 PolarHBondContact OG-O 3.31Å; T782-G784 PolarHBondContact O-N 3.04Å
785	A	81.5	Confident	89.3	Confident	29 Å²	29	64.6 Å²	64.6	24%	0.24	36%	0.362	C	S	.	.			trans	-98.5	137.7	179.6	0	0	0	0	0	110.9	L788	A785-L788 HydrophobicContact CB-CD2 4.09Å; A785-L788 HydrophobicContact CB-CG 4.36Å
786	Q	86.9	Confident	89.7	Confident	106 Å²	106	66.1 Å²	66.1	50%	0.495	37%	0.366	S	S	.	.	S	Bend	trans	-84.5	166.7	173.6	-62.4	-172.8	-10.4	0	0	111.1	Q778 L788	Q778-Q786 VanDerWaalsContact OE1-NE2 3.13Å; Q786-L788 VanDerWaalsContact C-N 3.28Å; Q786-L788 PolarHBondContact O-N 3.33Å
787	H	91.5	Very high	90.2	Very high	78 Å²	78	68.7 Å²	68.7	36%	0.361	37%	0.369	S	S	.	.			trans	57.2	31.8	172.3	-49.4	-56	0	0	0	115.7	R773 G789 L1042	R773-H787 HydrophobicContact CG-CB 4.28Å; R773-H787 PolarHBondContact O-CD2 3.22Å; R773-H787 PolarHBondContact O-NE2 2.82Å; H787-G789 VanDerWaalsContact C-N 3.32Å; H787-G789 PolarHBondContact O-N 2.85Å; H787-L1042 HydrophobicContact CB-CD2 4.01Å
788	L	93.3	Very high	90.7	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.079	34%	0.336	C	S	.	.			trans	-67.8	-28.5	175.2	-66.3	174.8	0	0	0	113.6	A785 Q786 S822 S977 L1042 R1045 I1046 M1049	A785-L788 HydrophobicContact CB-CD2 4.09Å; A785-L788 HydrophobicContact CB-CG 4.36Å; Q786-L788 VanDerWaalsContact C-N 3.28Å; Q786-L788 PolarHBondContact O-N 3.33Å; L788-S822 WeakPolarHBondContact O-CB 3.31Å; L788-S977 WeakPolarHBondContact CD1-O 3.1Å; L788-L1042 HydrophobicContact CD2-CD1 3.94Å; L788-R1045 HydrophobicContact CD2-CG 4.47Å; L788-I1046 HydrophobicContact CD2-CD1 4.08Å; L788-I1046 WeakPolarHBondContact O-CD1 3.13Å; L788-M1049 HydrophobicContact CD1-CE 4.45Å; L788-M1049 HydrophobicContact CD2-CE 4.17Å
789	G	95	Very high	91.3	Very high	26 Å²	26	59.6 Å²	59.6	27%	0.268	32%	0.323	S	S	.	.	S	Bend	trans	-86.2	155.5	172.7	0	0	0	0	0	112.7	R773 H787 S822	R773-G789 PolarHBondContact NH1-O 2.85Å; R773-G789 PolarHBondContact NH2-O 2.94Å; H787-G789 VanDerWaalsContact C-N 3.32Å; H787-G789 PolarHBondContact O-N 2.85Å; G789-S822 PolarHBondContact O-OG 2.73Å
790	P	97.1	Very high	91.9	Very high	62 Å²	62	59 Å²	59	40%	0.403	32%	0.324	S	S	.	.			trans	-60.1	152.7	-179.6	28.6	-37.4	0	0	0	112.3
791	A	97.6	Very high	92.4	Very high	54 Å²	54	59.7 Å²	59.7	45%	0.446	32%	0.323	S	S	.	.	S	Bend	trans	-77.3	-22.8	177.8	0	0	0	0	0	113.4	L770 S823	L770-A791 HydrophobicContact CD2-CB 4.05Å; A791-S823 PolarHBondContact N-OG 2.97Å
792	T	97.6	Very high	93.1	Very high	41 Å²	41	58.5 Å²	58.5	25%	0.252	32%	0.315	S	S	.	.			trans	-151.3	148.8	-175.7	171.2	0	0	0	0	109.5	L770 F794 Y795	L770-T792 HydrophobicContact CD2-CG2 3.79Å; T792-F794 VanDerWaalsContact C-N 3.26Å; T792-F794 HydrophobicContact CG2-CB 4.08Å; T792-F794 PolarHBondContact O-N 3.05Å; T792-F794 WeakPolarHBondContact OG1-CB 3.3Å; T792-F794 PolarHBondContact OG1-N 3.43Å; T792-F794 VanDerWaalsContact OG1-N 3.12Å; T792-Y795 HydrophobicContact CG2-CD2 4.12Å; T792-Y795 HydrophobicContact CG2-CE2 4.18Å
793	D	97.9	Very high	93.9	Very high	104 Å²	104	53.1 Å²	53.1	56%	0.556	28%	0.281	S	S	*	.	S	Bend	trans	-70.7	-17.7	172	69.7	-49.8	0	0	0	113.3	Y795 K796 K797	D793-Y795 VanDerWaalsContact C-N 3.35Å; D793-Y795 PolarHBondContact O-N 2.93Å; D793-Y795 VanDerWaalsContact O-N 3.15Å; D793-K796 CarbonylContact O-C 3.56Å; D793-K796 WeakPolarHBondContact O-CA 3.5Å; D793-K796 WeakPolarHBondContact O-CB 3.35Å; D793-K796 PolarHBondContact O-N 2.87Å; D793-K797 PolarHBondContact O-N 2.78Å
794	F	98.5	Very high	94.8	Very high	32 Å²	32	45.1 Å²	45.1	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-44.1	-52.9	-173.1	175.3	-92.6	0	0	0	113.8	Q742 A767 T792 K796 K797 L798	Q742-F794 HydrophobicContact CG-CE2 4.39Å; Q742-F794 HydrophobicContact CG-CZ 4.11Å; A767-F794 HydrophobicContact CB-CD2 4.38Å; A767-F794 HydrophobicContact CB-CE2 3.68Å; A767-F794 HydrophobicContact CB-CZ 4.11Å; T792-F794 VanDerWaalsContact C-N 3.26Å; T792-F794 HydrophobicContact CG2-CB 4.08Å; T792-F794 PolarHBondContact O-N 3.05Å; T792-F794 WeakPolarHBondContact OG1-CB 3.3Å; T792-F794 PolarHBondContact OG1-N 3.43Å; T792-F794 VanDerWaalsContact OG1-N 3.12Å; F794-K796 VanDerWaalsContact C-N 3.32Å; F794-K796 PolarHBondContact O-N 2.88Å; F794-K797 PolarHBondContact O-N 3.03Å; F794-L798 WeakPolarHBondContact O-CB 3.25Å; F794-L798 PolarHBondContact O-N 2.64Å
795	Y	98.7	Very high	96	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-29.1	-178.9	-63.8	-82	0	0	0	113.1	L737 L741 G768 L770 T792 D793 A799 S823 L824 V827	L737-Y795 HydrophobicContact CD2-CE1 3.97Å; L737-Y795 HydrophobicContact CG-CE1 4.41Å; L741-Y795 HydrophobicContact CD1-CD1 4.26Å; L741-Y795 HydrophobicContact CD1-CE1 4.08Å; G768-Y795 VanDerWaalsContact O-CE2 3.27Å; G768-Y795 WeakPolarHBondContact O-CE2 3.46Å; G768-Y795 PolarHBondContact O-OH 2.84Å; L770-Y795 HydrophobicContact CD1-CE2 4.19Å; L770-Y795 HydrophobicContact CD2-CE2 4.05Å; L770-Y795 HydrophobicContact CG-CE2 4.23Å; T792-Y795 HydrophobicContact CG2-CD2 4.12Å; T792-Y795 HydrophobicContact CG2-CE2 4.18Å; D793-Y795 VanDerWaalsContact C-N 3.35Å; D793-Y795 PolarHBondContact O-N 2.93Å; D793-Y795 VanDerWaalsContact O-N 3.15Å; Y795-A799 VanDerWaalsContact O-CB 3.28Å; Y795-A799 WeakPolarHBondContact O-CB 3.47Å; Y795-A799 PolarHBondContact O-N 3.35Å; Y795-S823 WeakPolarHBondContact CB-O 3.49Å; Y795-L824 HydrophobicContact CD1-CD2 4.49Å; Y795-L824 HydrophobicContact CE1-CD2 3.89Å; Y795-L824 HydrophobicContact CE2-CD2 4.29Å; Y795-V827 HydrophobicContact CD1-CB 4.46Å
796	K	98.4	Very high	96.8	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-74.3	-45.9	173	171.8	178.3	178.9	-171.8	0	110.7	D793 F794 A799 L800 C826 Y830	D793-K796 CarbonylContact O-C 3.56Å; D793-K796 WeakPolarHBondContact O-CA 3.5Å; D793-K796 WeakPolarHBondContact O-CB 3.35Å; D793-K796 PolarHBondContact O-N 2.87Å; F794-K796 VanDerWaalsContact C-N 3.32Å; F794-K796 PolarHBondContact O-N 2.88Å; K796-A799 PolarHBondContact O-N 3.01Å; K796-L800 HydrophobicContact CG-CD1 4.32Å; K796-L800 WeakPolarHBondContact O-CG 3.31Å; K796-L800 PolarHBondContact O-N 2.82Å; K796-C826 HydrophobicContact CB-CB 4.27Å; K796-Y830 HydrophobicContact CB-CD2 3.95Å; K796-Y830 HydrophobicContact CB-CE2 3.93Å; K796-Y830 HydrophobicContact CD-CD2 4.37Å; K796-Y830 HydrophobicContact CD-CE2 3.83Å; K796-Y830 HydrophobicContact CG-CD2 3.66Å; K796-Y830 HydrophobicContact CG-CE2 3.61Å; K796-Y830 HydrophobicContact CG-CG 4.21Å
797	K	98.4	Very high	97.4	Very high	127 Å²	127	44 Å²	44	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-59.1	-53.4	178.7	-176.2	173.3	-179.1	174	0	111	D793 F794 A799 L800 D801	D793-K797 PolarHBondContact O-N 2.78Å; F794-K797 PolarHBondContact O-N 3.03Å; K797-A799 VanDerWaalsContact C-N 3.26Å; K797-A799 PolarHBondContact O-N 2.58Å; K797-L800 WeakPolarHBondContact O-CA 3.45Å; K797-L800 WeakPolarHBondContact O-CB 3.39Å; K797-L800 PolarHBondContact O-N 2.78Å; K797-D801 PolarHBondContact O-N 2.82Å
798	L	98.6	Very high	97.7	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-37.9	177.1	-174.2	71.2	0	0	0	112.5	L741 F745 F794 L800 D801 C802	L741-L798 HydrophobicContact CB-CD2 3.61Å; L741-L798 HydrophobicContact CD1-CD2 4.37Å; L741-L798 HydrophobicContact CG-CD2 4.49Å; F745-L798 HydrophobicContact CB-CD1 3.92Å; F745-L798 HydrophobicContact CD1-CD1 4.45Å; F745-L798 HydrophobicContact CG-CD1 4.11Å; F794-L798 WeakPolarHBondContact O-CB 3.25Å; F794-L798 PolarHBondContact O-N 2.64Å; L798-L800 VanDerWaalsContact C-N 3.32Å; L798-L800 PolarHBondContact O-N 2.99Å; L798-D801 PolarHBondContact O-N 2.79Å; L798-C802 WeakPolarHBondContact O-CB 3.43Å; L798-C802 PolarHBondContact O-N 2.63Å; L798-C802 PolarHBondContact O-SG 3.21Å; L798-C802 VanDerWaalsContact O-SG 3.33Å
799	A	98.6	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-32.2	176.4	0	0	0	0	0	113.4	Y795 K796 K797 S803 V827	Y795-A799 VanDerWaalsContact O-CB 3.28Å; Y795-A799 WeakPolarHBondContact O-CB 3.47Å; Y795-A799 PolarHBondContact O-N 3.35Å; K796-A799 PolarHBondContact O-N 3.01Å; K797-A799 VanDerWaalsContact C-N 3.26Å; K797-A799 PolarHBondContact O-N 2.58Å; A799-S803 WeakPolarHBondContact O-CB 3.44Å; A799-S803 PolarHBondContact O-N 2.58Å; A799-V827 WeakPolarHBondContact CB-O 3.38Å
800	L	98.3	Very high	98.2	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.257	21%	0.211	S	C	.	.	H	α-helix	trans	-70.6	-40.5	172.7	-64.9	169.7	0	0	0	111.2	K796 K797 L798 S803 G804 F889	K796-L800 HydrophobicContact CG-CD1 4.32Å; K796-L800 WeakPolarHBondContact O-CG 3.31Å; K796-L800 PolarHBondContact O-N 2.82Å; K797-L800 WeakPolarHBondContact O-CA 3.45Å; K797-L800 WeakPolarHBondContact O-CB 3.39Å; K797-L800 PolarHBondContact O-N 2.78Å; L798-L800 VanDerWaalsContact C-N 3.32Å; L798-L800 PolarHBondContact O-N 2.99Å; L800-S803 CarbonylContact O-C 3.55Å; L800-S803 PolarHBondContact O-N 3.24Å; L800-G804 PolarHBondContact O-N 2.93Å; L800-F889 HydrophobicContact CD2-CB 4.26Å; L800-F889 HydrophobicContact CD2-CD1 3.94Å; L800-F889 HydrophobicContact CD2-CD2 3.45Å; L800-F889 VanDerWaalsContact CD2-CD2 3.45Å; L800-F889 HydrophobicContact CD2-CE1 4.09Å; L800-F889 HydrophobicContact CD2-CE2 3.66Å; L800-F889 HydrophobicContact CD2-CG 3.63Å; L800-F889 HydrophobicContact CD2-CZ 3.98Å
801	D	98.3	Very high	98.2	Very high	72 Å²	72	35.8 Å²	35.8	39%	0.385	19%	0.192	S	C	.	.	H	α-helix	trans	-61.7	-47.9	174	-61.2	-39.4	0	0	0	111	F745 K797 L798 S803 G804 Q805	F745-D801 HydrophobicContact CD2-CB 4.46Å; F745-D801 HydrophobicContact CE2-CB 3.86Å; F745-D801 HydrophobicContact CZ-CB 3.94Å; K797-D801 PolarHBondContact O-N 2.82Å; L798-D801 PolarHBondContact O-N 2.79Å; D801-S803 PolarHBondContact O-N 3.48Å; D801-G804 WeakPolarHBondContact O-CA 3.47Å; D801-G804 PolarHBondContact O-N 3Å; D801-G804 VanDerWaalsContact O-N 3.07Å; D801-Q805 PolarHBondContact O-N 3.02Å; D801-Q805 VanDerWaalsContact O-N 3.12Å
802	C	98.6	Very high	98.3	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.027	17%	0.171	C	C	.	.	H	α-helix	trans	-56.1	-45.7	171.2	-77.5	0	0	0	0	112.4	L798 G804 Q805 Q806 I807	L798-C802 WeakPolarHBondContact O-CB 3.43Å; L798-C802 PolarHBondContact O-N 2.63Å; L798-C802 PolarHBondContact O-SG 3.21Å; L798-C802 VanDerWaalsContact O-SG 3.33Å; C802-G804 PolarHBondContact O-N 3.09Å; C802-Q805 CarbonylContact O-C 3.57Å; C802-Q805 PolarHBondContact O-N 3.28Å; C802-Q806 PolarHBondContact O-N 3.36Å; C802-I807 CarbonylContact C-O 3.31Å; C802-I807 HydrophobicContact CB-CB 3.89Å; C802-I807 HydrophobicContact CB-CG2 4.3Å; C802-I807 PolarHBondContact O-N 2.84Å
803	S	97.5	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-21	176.9	-164.1	0	0	0	0	113	A799 L800 D801 Q806 F889 R891	A799-S803 WeakPolarHBondContact O-CB 3.44Å; A799-S803 PolarHBondContact O-N 2.58Å; L800-S803 CarbonylContact O-C 3.55Å; L800-S803 PolarHBondContact O-N 3.24Å; D801-S803 PolarHBondContact O-N 3.48Å; S803-Q806 PolarHBondContact O-NE2 2.83Å; S803-F889 WeakPolarHBondContact OG-CB 3.42Å; S803-R891 PolarHBondContact O-NH2 2.9Å
804	G	96.8	Very high	98.4	Very high	32 Å²	32	26.3 Å²	26.3	33%	0.33	13%	0.132	S	C	.	.	H	α-helix	trans	-62.6	-55.8	162.6	0	0	0	0	0	111.6	L800 D801 C802 Q806	L800-G804 PolarHBondContact O-N 2.93Å; D801-G804 WeakPolarHBondContact O-CA 3.47Å; D801-G804 PolarHBondContact O-N 3Å; D801-G804 VanDerWaalsContact O-N 3.07Å; C802-G804 PolarHBondContact O-N 3.09Å; G804-Q806 VanDerWaalsContact C-N 3.26Å; G804-Q806 PolarHBondContact O-N 2.98Å; G804-Q806 PolarHBondContact O-NE2 3.13Å
805	Q	97.8	Very high	98.3	Very high	88 Å²	88	24.9 Å²	24.9	41%	0.411	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	15.6	-175.4	-53	-58.8	-3	0	0	115	F745 G752 D801 C802 I807	F745-Q805 HydrophobicContact CE2-CB 4.42Å; F745-Q805 HydrophobicContact CE2-CG 3.82Å; F745-Q805 HydrophobicContact CZ-CG 4.24Å; G752-Q805 WeakPolarHBondContact CA-O 3.47Å; D801-Q805 PolarHBondContact O-N 3.02Å; D801-Q805 VanDerWaalsContact O-N 3.12Å; C802-Q805 CarbonylContact O-C 3.57Å; C802-Q805 PolarHBondContact O-N 3.28Å; Q805-I807 VanDerWaalsContact C-N 3.28Å; Q805-I807 HydrophobicContact CB-CD1 4Å; Q805-I807 HydrophobicContact CB-CG1 4.24Å; Q805-I807 PolarHBondContact O-N 3.27Å
806	Q	98.1	Very high	98	Very high	36 Å²	36	26.8 Å²	26.8	17%	0.168	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	34.5	178.6	-44.7	-54.3	-65.4	0	0	113.5	G752 G753 C802 S803 G804 E868	G752-Q806 WeakPolarHBondContact CA-O 3.28Å; G753-Q806 PolarHBondContact N-O 2.76Å; C802-Q806 PolarHBondContact O-N 3.36Å; S803-Q806 PolarHBondContact O-NE2 2.83Å; G804-Q806 VanDerWaalsContact C-N 3.26Å; G804-Q806 PolarHBondContact O-N 2.98Å; G804-Q806 PolarHBondContact O-NE2 3.13Å; Q806-E868 HydrophobicContact CB-CB 3.91Å; Q806-E868 HydrophobicContact CG-CB 3.82Å
807	I	98.8	Very high	97.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	173.5	-53.8	163.7	0	0	0	108.8	F745 M748 G753 V755 C802 Q805 V809 A899	F745-I807 HydrophobicContact CD2-CD1 3.84Å; F745-I807 HydrophobicContact CE2-CD1 4.38Å; M748-I807 HydrophobicContact CB-CD1 3.62Å; M748-I807 HydrophobicContact CB-CG1 3.87Å; M748-I807 HydrophobicContact CB-CG2 4.44Å; G753-I807 WeakPolarHBondContact O-CA 3.41Å; V755-I807 HydrophobicContact CG2-CG2 3.62Å; C802-I807 CarbonylContact C-O 3.31Å; C802-I807 HydrophobicContact CB-CB 3.89Å; C802-I807 HydrophobicContact CB-CG2 4.3Å; C802-I807 PolarHBondContact O-N 2.84Å; Q805-I807 VanDerWaalsContact C-N 3.28Å; Q805-I807 HydrophobicContact CB-CD1 4Å; Q805-I807 HydrophobicContact CB-CG1 4.24Å; Q805-I807 PolarHBondContact O-N 3.27Å; I807-V809 HydrophobicContact CG2-CG2 4.38Å; I807-A899 VanDerWaalsContact C-CB 3.46Å; I807-A899 WeakPolarHBondContact O-CB 3.38Å
808	G	98.5	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.4	165.7	0	0	0	0	0	110.8	G753 V755 N900	G753-G808 PolarHBondContact O-N 2.73Å; V755-G808 PolarHBondContact N-O 2.89Å; G808-N900 WeakPolarHBondContact CA-OD1 3.48Å
809	V	98.9	Very high	97.8	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	105.5	179.8	-170.2	0	0	0	0	110.5	L741 V755 I807 V827 S828 S831	L741-V809 HydrophobicContact CD2-CG1 4.32Å; V755-V809 HydrophobicContact CB-CB 4.5Å; V755-V809 HydrophobicContact CB-CG1 4.25Å; V755-V809 HydrophobicContact CB-CG2 4.24Å; V755-V809 HydrophobicContact CG1-CG1 4.14Å; V755-V809 WeakPolarHBondContact O-CA 3.44Å; I807-V809 HydrophobicContact CG2-CG2 4.38Å; V809-V827 HydrophobicContact CB-CG1 4.37Å; V809-V827 HydrophobicContact CB-CG2 4.09Å; V809-V827 HydrophobicContact CG1-CG1 3.86Å; V809-V827 HydrophobicContact CG1-CG2 3.87Å; V809-V827 HydrophobicContact CG2-CG2 4.23Å; V809-S828 WeakPolarHBondContact O-CA 3.06Å; V809-S828 WeakPolarHBondContact O-CB 3.21Å; V809-S828 PolarHBondContact O-OG 3.31Å; V809-S831 PolarHBondContact N-OG 3.33Å
810	D	98.8	Very high	97.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.2	172	-62.8	-69.4	0	0	0	110.4	R754 V755 L757 S834 Y860	R754-D810 VanDerWaalsContact CD-OD2 3.26Å; R754-D810 WeakPolarHBondContact CD-OD2 3.34Å; R754-D810 WeakPolarHBondContact CG-OD2 3.28Å; V755-D810 PolarHBondContact O-N 2.97Å; L757-D810 PolarHBondContact N-O 3.13Å; D810-S834 WeakPolarHBondContact CA-O 3.41Å; D810-S834 WeakPolarHBondContact OD1-CA 3.41Å; D810-S834 WeakPolarHBondContact OD1-CB 3.42Å; D810-S834 PolarHBondContact OD1-N 3.08Å; D810-S834 PolarHBondContact OD1-OG 2.93Å; D810-Y860 HydrophobicContact CB-CE2 3.84Å; D810-Y860 WeakPolarHBondContact CB-OH 3.34Å; D810-Y860 VanDerWaalsContact CG-CE2 3.47Å; D810-Y860 VanDerWaalsContact CG-OH 3.26Å; D810-Y860 VanDerWaalsContact OD2-CE2 3.24Å; D810-Y860 WeakPolarHBondContact OD2-CE2 3.15Å; D810-Y860 VanDerWaalsContact OD2-CZ 3.3Å; D810-Y860 PolarHBondContact OD2-OH 2.88Å
811	L	98.9	Very high	97.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	178.9	168.7	63	0	0	0	111.2	L757 Q759 L813 L821 L824 S828 S834 V835 F836	L757-L811 HydrophobicContact CD2-CD1 3.73Å; L757-L811 HydrophobicContact CG-CD1 4.02Å; Q759-L811 HydrophobicContact CB-CD1 4.3Å; L811-L813 HydrophobicContact CD1-CB 4.44Å; L811-L813 HydrophobicContact CG-CB 4.46Å; L811-L821 HydrophobicContact CD2-CD1 3.79Å; L811-L824 HydrophobicContact CD2-CB 3.78Å; L811-S828 WeakPolarHBondContact CB-OG 3.48Å; L811-S828 PolarHBondContact N-OG 3.43Å; L811-S834 PolarHBondContact N-O 3.32Å; L811-V835 HydrophobicContact CD2-CG1 4.46Å; L811-V835 CarbonylContact O-C 3.58Å; L811-V835 WeakPolarHBondContact O-CA 3.49Å; L811-F836 PolarHBondContact O-N 3.06Å
812	F	98.9	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.5	163.9	-73.3	-110.7	0	0	0	108.6	T756 L757 F758 Q759 L814 F836 Y838 F853 L857 Y860	T756-F812 HydrophobicContact CG2-CD2 3.87Å; T756-F812 HydrophobicContact CG2-CE2 3.74Å; L757-F812 PolarHBondContact O-N 2.6Å; F758-F812 WeakPolarHBondContact CA-O 3.41Å; F758-F812 HydrophobicContact CD1-CB 3.7Å; F758-F812 HydrophobicContact CD1-CG 4.11Å; F758-F812 HydrophobicContact CE1-CB 3.94Å; F758-F812 AromaticContact CE1-CD1 3.95Å; F758-F812 HydrophobicContact CE1-CD1 3.95Å; F758-F812 HydrophobicContact CE1-CD2 4.28Å; F758-F812 AromaticContact CE1-CG 3.81Å; F758-F812 HydrophobicContact CE1-CG 3.81Å; F758-F812 HydrophobicContact CG-CB 4.19Å; F758-F812 HydrophobicContact CZ-CD2 4.23Å; F758-F812 HydrophobicContact CZ-CG 4.22Å; Q759-F812 PolarHBondContact N-O 2.98Å; F812-L814 HydrophobicContact CB-CD1 4.19Å; F812-F836 HydrophobicContact CD1-CB 3.93Å; F812-F836 HydrophobicContact CD1-CD2 4.23Å; F812-F836 HydrophobicContact CD1-CG 4.19Å; F812-F836 AromaticContact CD2-CD2 3.9Å; F812-F836 HydrophobicContact CD2-CD2 3.9Å; F812-F836 HydrophobicContact CE1-CB 4.13Å; F812-F836 HydrophobicContact CE1-CD1 4.44Å; F812-F836 AromaticContact CE1-CD2 3.85Å; F812-F836 HydrophobicContact CE1-CD2 3.85Å; F812-F836 HydrophobicContact CE1-CE2 4.35Å; F812-F836 AromaticContact CE1-CG 3.9Å; F812-F836 HydrophobicContact CE1-CG 3.9Å; F812-F836 AromaticContact CE2-CD2 3.48Å; F812-F836 HydrophobicContact CE2-CD2 3.48Å; F812-F836 VanDerWaalsContact CE2-CD2 3.48Å; F812-F836 AromaticContact CE2-CE2 3.72Å; F812-F836 HydrophobicContact CE2-CE2 3.72Å; F812-F836 HydrophobicContact CE2-CG 4.34Å; F812-F836 HydrophobicContact CG-CB 4.21Å; F812-F836 HydrophobicContact CG-CD2 4.24Å; F812-F836 AromaticContact CZ-CD2 3.45Å; F812-F836 HydrophobicContact CZ-CD2 3.45Å; F812-F836 VanDerWaalsContact CZ-CD2 3.45Å; F812-F836 AromaticContact CZ-CE2 3.6Å; F812-F836 HydrophobicContact CZ-CE2 3.6Å; F812-F836 AromaticContact CZ-CG 3.97Å; F812-F836 HydrophobicContact CZ-CG 3.97Å; F812-F836 HydrophobicContact CZ-CZ 4.24Å; F812-Y838 AromaticContact CD1-CE2 3.78Å; F812-Y838 HydrophobicContact CD1-CE2 3.78Å; F812-Y838 HydrophobicContact CE1-CE2 4.43Å; F812-F853 HydrophobicContact CD1-CD2 4.35Å; F812-F853 AromaticContact CD1-CE2 3.95Å; F812-F853 HydrophobicContact CD1-CE2 3.95Å; F812-F853 HydrophobicContact CE1-CE2 4.42Å; F812-L857 HydrophobicContact CE1-CD1 4.45Å; F812-L857 HydrophobicContact CZ-CD1 4.39Å; F812-Y860 HydrophobicContact CE2-CD1 4.07Å; F812-Y860 HydrophobicContact CE2-CD2 4.12Å; F812-Y860 HydrophobicContact CE2-CE1 4.03Å; F812-Y860 HydrophobicContact CE2-CE2 4.08Å; F812-Y860 HydrophobicContact CE2-CG 4.13Å; F812-Y860 AromaticContact CZ-CD1 3.86Å; F812-Y860 HydrophobicContact CZ-CD1 3.86Å; F812-Y860 AromaticContact CZ-CD2 3.99Å; F812-Y860 HydrophobicContact CZ-CD2 3.99Å; F812-Y860 HydrophobicContact CZ-CE1 4.3Å; F812-Y860 HydrophobicContact CZ-CE2 4.42Å; F812-Y860 AromaticContact CZ-CG 3.71Å; F812-Y860 HydrophobicContact CZ-CG 3.71Å
813	L	98.8	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.1	176.2	179.8	65.6	0	0	0	109.9	Q759 L811 A819 L821 L824 F836 Y837 Y838	Q759-L813 HydrophobicContact CB-CD1 4.27Å; Q759-L813 HydrophobicContact CG-CD1 4.22Å; Q759-L813 WeakPolarHBondContact O-CA 3.28Å; L811-L813 HydrophobicContact CD1-CB 4.44Å; L811-L813 HydrophobicContact CG-CB 4.46Å; L813-A819 HydrophobicContact CD1-CB 3.83Å; L813-A819 HydrophobicContact CD2-CB 4.17Å; L813-L821 HydrophobicContact CD2-CB 4.08Å; L813-L821 HydrophobicContact CD2-CD1 3.85Å; L813-L821 HydrophobicContact CD2-CD2 4.4Å; L813-L821 HydrophobicContact CD2-CG 4.32Å; L813-L824 HydrophobicContact CD1-CD1 4.24Å; L813-F836 PolarHBondContact N-O 2.79Å; L813-Y837 HydrophobicContact CB-CD2 4.01Å; L813-Y837 HydrophobicContact CD2-CD2 3.74Å; L813-Y837 HydrophobicContact CD2-CE2 3.75Å; L813-Y837 HydrophobicContact CG-CD2 3.83Å; L813-Y837 HydrophobicContact CG-CE2 4Å; L813-Y837 WeakPolarHBondContact O-CA 3.05Å; L813-Y837 WeakPolarHBondContact O-CD2 3.26Å; L813-Y838 PolarHBondContact O-N 2.65Å
814	L	98.4	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.098	C	C	.	.			trans	-112.6	39.1	-176.4	-52.4	97.8	0	0	0	112	Y642 F758 Q759 T760 F812 Y838 F841 F853	Y642-L814 HydrophobicContact CD2-CD1 4.43Å; Y642-L814 HydrophobicContact CG-CD1 4.42Å; Y642-L814 HydrophobicContact CG-CD2 4.26Å; F758-L814 HydrophobicContact CD1-CD1 4.16Å; Q759-L814 PolarHBondContact O-N 2.86Å; T760-L814 HydrophobicContact CG2-CB 4.22Å; F812-L814 HydrophobicContact CB-CD1 4.19Å; L814-Y838 HydrophobicContact CD2-CD2 4.22Å; L814-Y838 HydrophobicContact CG-CD2 3.97Å; L814-F841 HydrophobicContact CB-CB 3.97Å; L814-F841 HydrophobicContact CB-CD1 4.43Å; L814-F841 HydrophobicContact CB-CG 4.15Å; L814-F841 HydrophobicContact CD2-CD1 4.1Å; L814-F841 HydrophobicContact CD2-CD2 3.74Å; L814-F841 HydrophobicContact CD2-CE1 4.25Å; L814-F841 HydrophobicContact CD2-CE2 3.87Å; L814-F841 HydrophobicContact CD2-CG 3.86Å; L814-F841 HydrophobicContact CD2-CZ 4.14Å; L814-F853 HydrophobicContact CD2-CD2 3.88Å; L814-F853 HydrophobicContact CD2-CE2 3.84Å; L814-F853 HydrophobicContact CD2-CG 4.39Å; L814-F853 HydrophobicContact CD2-CZ 4.32Å
815	S	95.9	Very high	97.9	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	8%	0.082	C	C	.	.			trans	-82.3	138.2	-166.5	75.2	0	0	0	0	115.3	T760 Q817 S840	T760-S815 WeakPolarHBondContact O-CA 3.37Å; T760-S815 WeakPolarHBondContact O-CB 3.43Å; S815-Q817 WeakPolarHBondContact CB-O 3.16Å; S815-Q817 PolarHBondContact OG-O 2.83Å; S815-S840 PolarHBondContact O-N 3.39Å
816	S	94.1	Very high	97.9	Very high	42 Å²	42	12.5 Å²	12.5	29%	0.294	6%	0.064	S	C	.	.	S	Bend	trans	-88.1	-19.2	172.4	61	0	0	0	0	114
817	Q	95.1	Very high	97.9	Very high	141 Å²	141	10.8 Å²	10.8	66%	0.659	6%	0.056	S	C	*	.	S	Bend	trans	-124.1	178.6	175.9	-60.7	-62.2	-13.5	0	0	110.8	S815 A819	S815-Q817 WeakPolarHBondContact CB-O 3.16Å; S815-Q817 PolarHBondContact OG-O 2.83Å; Q817-A819 PolarHBondContact O-N 2.91Å
818	Y	97.3	Very high	97.9	Very high	21 Å²	21	10.8 Å²	10.8	8%	0.082	6%	0.056	C	C	.	.			trans	-58.8	128.8	172.7	175.8	-115.3	0	0	0	111.1	R773 E774 D820 L1042 D1043	R773-Y818 HydrophobicContact CG-CE1 4.23Å; R773-Y818 VanDerWaalsContact CG-OH 3.31Å; R773-Y818 WeakPolarHBondContact CG-OH 3.3Å; E774-Y818 HydrophobicContact CB-CD1 3.91Å; E774-Y818 HydrophobicContact CB-CD2 3.8Å; E774-Y818 HydrophobicContact CB-CE1 3.99Å; E774-Y818 HydrophobicContact CB-CE2 3.89Å; E774-Y818 HydrophobicContact CB-CG 3.8Å; Y818-D820 HydrophobicContact CE1-CB 3.96Å; Y818-D820 VanDerWaalsContact CE2-CA 3.5Å; Y818-D820 HydrophobicContact CE2-CB 4.03Å; Y818-D820 VanDerWaalsContact CZ-CB 3.49Å; Y818-D820 VanDerWaalsContact OH-CB 3.23Å; Y818-D820 WeakPolarHBondContact OH-CB 3.46Å; Y818-D820 PolarHBondContact OH-OD1 3.06Å; Y818-L1042 HydrophobicContact CE2-CB 4.14Å; Y818-L1042 HydrophobicContact CE2-CD2 3.77Å; Y818-L1042 HydrophobicContact CE2-CG 4.14Å; Y818-D1043 WeakPolarHBondContact CA-OD2 3.33Å; Y818-D1043 VanDerWaalsContact CD2-OD2 3.29Å; Y818-D1043 WeakPolarHBondContact CD2-OD2 3.31Å; Y818-D1043 WeakPolarHBondContact CE2-OD1 3.36Å
819	A	97.8	Very high	97.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.			trans	-128	8.7	-179.1	0	0	0	0	0	113.1	L762 L813 Q817 L824 D1043	L762-A819 VanDerWaalsContact CD1-C 3.45Å; L762-A819 WeakPolarHBondContact CD1-O 3.4Å; L813-A819 HydrophobicContact CD1-CB 3.83Å; L813-A819 HydrophobicContact CD2-CB 4.17Å; Q817-A819 PolarHBondContact O-N 2.91Å; A819-L824 HydrophobicContact CB-CD1 4.44Å; A819-L824 VanDerWaalsContact O-CD1 3.27Å; A819-L824 WeakPolarHBondContact O-CD1 3.48Å; A819-D1043 PolarHBondContact N-OD2 2.92Å
820	D	98.2	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.			trans	52.5	61.1	-179	-166.7	16.6	0	0	0	114.3	L762 L770 R773 Y818 S822 S823 L824 D1043	L762-D820 HydrophobicContact CD1-CB 3.83Å; L770-D820 HydrophobicContact CD1-CB 3.97Å; R773-D820 IonicContact CZ-OD1 3.01Å; R773-D820 IonicContact CZ-OD2 2.69Å; R773-D820 VanDerWaalsContact CZ-OD2 3.31Å; R773-D820 IonicContact NE-OD1 3.73Å; R773-D820 IonicContact NE-OD2 3.27Å; R773-D820 PolarHBondContact NE-OD2 3.36Å; R773-D820 IonicContact NH2-OD1 2.99Å; R773-D820 PolarHBondContact NH2-OD1 3.27Å; R773-D820 IonicContact NH2-OD2 3.6Å; R773-D820 PolarHBondContact NH2-OD2 3.07Å; Y818-D820 HydrophobicContact CE1-CB 3.96Å; Y818-D820 VanDerWaalsContact CE2-CA 3.5Å; Y818-D820 HydrophobicContact CE2-CB 4.03Å; Y818-D820 VanDerWaalsContact CZ-CB 3.49Å; Y818-D820 VanDerWaalsContact OH-CB 3.23Å; Y818-D820 WeakPolarHBondContact OH-CB 3.46Å; Y818-D820 PolarHBondContact OH-OD1 3.06Å; D820-S822 PolarHBondContact O-N 2.97Å; D820-S822 PolarHBondContact OD1-OG 2.73Å; D820-S823 WeakPolarHBondContact O-CB 3.39Å; D820-S823 PolarHBondContact O-N 2.95Å; D820-S823 WeakPolarHBondContact OD2-CB 3.21Å; D820-S823 PolarHBondContact OD2-OG 3.09Å; D820-L824 PolarHBondContact O-N 3.29Å; D820-L824 VanDerWaalsContact O-N 3.09Å; D820-D1043 WeakPolarHBondContact CA-OD1 3.28Å; D820-D1043 PolarHBondContact N-OD1 3.44Å
821	L	98.4	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.2	-20.7	177.8	-175.5	58.6	0	0	0	112.7	L811 L813 S823 A825 V835 D1043 I1046 F1047	L811-L821 HydrophobicContact CD2-CD1 3.79Å; L813-L821 HydrophobicContact CD2-CB 4.08Å; L813-L821 HydrophobicContact CD2-CD1 3.85Å; L813-L821 HydrophobicContact CD2-CD2 4.4Å; L813-L821 HydrophobicContact CD2-CG 4.32Å; L821-S823 VanDerWaalsContact C-N 3.32Å; L821-S823 PolarHBondContact O-N 2.87Å; L821-A825 HydrophobicContact CD1-CB 3.94Å; L821-A825 HydrophobicContact CG-CB 4.26Å; L821-A825 WeakPolarHBondContact O-CB 3.45Å; L821-A825 PolarHBondContact O-N 3.42Å; L821-V835 HydrophobicContact CD1-CG1 3.97Å; L821-D1043 HydrophobicContact CB-CB 4.1Å; L821-D1043 WeakPolarHBondContact CB-OD1 3.43Å; L821-D1043 PolarHBondContact N-OD1 3.34Å; L821-I1046 HydrophobicContact CB-CB 4.48Å; L821-I1046 HydrophobicContact CB-CG2 4.17Å; L821-I1046 HydrophobicContact CD2-CG2 4.32Å; L821-I1046 HydrophobicContact CG-CG2 3.95Å; L821-F1047 HydrophobicContact CD2-CB 3.75Å; L821-F1047 HydrophobicContact CD2-CD2 4.35Å
822	S	97.5	Very high	97.8	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-36.9	174.6	77.2	0	0	0	0	112.3	R773 L788 G789 D820 C826	R773-S822 PolarHBondContact NH2-OG 2.93Å; L788-S822 WeakPolarHBondContact O-CB 3.31Å; G789-S822 PolarHBondContact O-OG 2.73Å; D820-S822 PolarHBondContact O-N 2.97Å; D820-S822 PolarHBondContact OD1-OG 2.73Å; S822-C826 PolarHBondContact O-SG 3.44Å; S822-C826 VanDerWaalsContact O-SG 3.33Å
823	S	98.6	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-75.2	-52.3	171.6	-62.9	0	0	0	0	110.8	A791 Y795 D820 L821 A825 C826	A791-S823 PolarHBondContact N-OG 2.97Å; Y795-S823 WeakPolarHBondContact CB-O 3.49Å; D820-S823 WeakPolarHBondContact O-CB 3.39Å; D820-S823 PolarHBondContact O-N 2.95Å; D820-S823 WeakPolarHBondContact OD2-CB 3.21Å; D820-S823 PolarHBondContact OD2-OG 3.09Å; L821-S823 VanDerWaalsContact C-N 3.32Å; L821-S823 PolarHBondContact O-N 2.87Å; S823-A825 PolarHBondContact O-N 3.06Å; S823-C826 VanDerWaalsContact O-CB 3.3Å; S823-C826 WeakPolarHBondContact O-CB 3.32Å; S823-C826 PolarHBondContact O-N 2.82Å
824	L	98.8	Very high	97.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-43	-173.2	-57.7	-175.1	0	0	0	113.1	L737 Q759 P763 L770 Y795 L811 L813 A819 D820 C826 V827	L737-L824 HydrophobicContact CD2-CD2 3.82Å; Q759-L824 HydrophobicContact CG-CD1 4.37Å; P763-L824 HydrophobicContact CG-CD2 3.83Å; L770-L824 HydrophobicContact CD1-CD2 3.8Å; L770-L824 HydrophobicContact CD1-CG 4.29Å; Y795-L824 HydrophobicContact CD1-CD2 4.49Å; Y795-L824 HydrophobicContact CE1-CD2 3.89Å; Y795-L824 HydrophobicContact CE2-CD2 4.29Å; L811-L824 HydrophobicContact CD2-CB 3.78Å; L813-L824 HydrophobicContact CD1-CD1 4.24Å; A819-L824 HydrophobicContact CB-CD1 4.44Å; A819-L824 VanDerWaalsContact O-CD1 3.27Å; A819-L824 WeakPolarHBondContact O-CD1 3.48Å; D820-L824 PolarHBondContact O-N 3.29Å; D820-L824 VanDerWaalsContact O-N 3.09Å; L824-C826 PolarHBondContact O-N 2.87Å; L824-V827 WeakPolarHBondContact O-CG1 3.4Å; L824-V827 PolarHBondContact O-N 2.92Å
825	A	98.5	Very high	97.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	-179.3	0	0	0	0	0	113.3	L821 S823 V827 S828 K829 V835	L821-A825 HydrophobicContact CD1-CB 3.94Å; L821-A825 HydrophobicContact CG-CB 4.26Å; L821-A825 WeakPolarHBondContact O-CB 3.45Å; L821-A825 PolarHBondContact O-N 3.42Å; S823-A825 PolarHBondContact O-N 3.06Å; A825-V827 PolarHBondContact O-N 2.87Å; A825-S828 PolarHBondContact O-N 2.92Å; A825-K829 HydrophobicContact CB-CD 4.38Å; A825-K829 WeakPolarHBondContact O-CB 3.16Å; A825-K829 WeakPolarHBondContact O-CG 3.37Å; A825-K829 PolarHBondContact O-N 3.02Å; A825-V835 HydrophobicContact CB-CG2 4.05Å
826	C	98.6	Very high	97.8	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.034	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-31	172.2	-69.1	0	0	0	0	112.1	K796 S822 S823 L824 S828 K829 Y830	K796-C826 HydrophobicContact CB-CB 4.27Å; S822-C826 PolarHBondContact O-SG 3.44Å; S822-C826 VanDerWaalsContact O-SG 3.33Å; S823-C826 VanDerWaalsContact O-CB 3.3Å; S823-C826 WeakPolarHBondContact O-CB 3.32Å; S823-C826 PolarHBondContact O-N 2.82Å; L824-C826 PolarHBondContact O-N 2.87Å; C826-S828 VanDerWaalsContact C-N 3.26Å; C826-S828 PolarHBondContact O-N 3.14Å; C826-K829 PolarHBondContact O-N 3.33Å; C826-Y830 HydrophobicContact CB-CD2 4.25Å; C826-Y830 HydrophobicContact CB-CE2 4.13Å; C826-Y830 WeakPolarHBondContact O-CD2 3.36Å; C826-Y830 PolarHBondContact O-N 3.22Å
827	V	98.4	Very high	98	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-37.9	179.6	84.7	0	0	0	0	111.9	L741 Y795 A799 V809 L824 A825 S831	L741-V827 HydrophobicContact CD1-CG2 4.19Å; Y795-V827 HydrophobicContact CD1-CB 4.46Å; A799-V827 WeakPolarHBondContact CB-O 3.38Å; V809-V827 HydrophobicContact CB-CG1 4.37Å; V809-V827 HydrophobicContact CB-CG2 4.09Å; V809-V827 HydrophobicContact CG1-CG1 3.86Å; V809-V827 HydrophobicContact CG1-CG2 3.87Å; V809-V827 HydrophobicContact CG2-CG2 4.23Å; L824-V827 WeakPolarHBondContact O-CG1 3.4Å; L824-V827 PolarHBondContact O-N 2.92Å; A825-V827 PolarHBondContact O-N 2.87Å; V827-S831 WeakPolarHBondContact O-CB 3.42Å; V827-S831 PolarHBondContact O-OG 3.2Å
828	S	98.6	Very high	98.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-85.9	-40.5	178.9	-52.8	0	0	0	0	112.6	V809 L811 A825 C826 Y830 S831 A832 G833 S834	V809-S828 WeakPolarHBondContact O-CA 3.06Å; V809-S828 WeakPolarHBondContact O-CB 3.21Å; V809-S828 PolarHBondContact O-OG 3.31Å; L811-S828 WeakPolarHBondContact CB-OG 3.48Å; L811-S828 PolarHBondContact N-OG 3.43Å; A825-S828 PolarHBondContact O-N 2.92Å; C826-S828 VanDerWaalsContact C-N 3.26Å; C826-S828 PolarHBondContact O-N 3.14Å; S828-Y830 PolarHBondContact O-N 2.83Å; S828-S831 PolarHBondContact O-N 3.28Å; S828-S831 PolarHBondContact O-OG 3.41Å; S828-A832 PolarHBondContact O-N 2.77Å; S828-G833 PolarHBondContact O-N 2.85Å; S828-S834 WeakPolarHBondContact CB-O 3.48Å; S828-S834 PolarHBondContact OG-O 3.46Å
829	K	98	Very high	98	Very high	43 Å²	43	10.8 Å²	10.8	19%	0.187	5%	0.054	C	C	.	.	H	α-helix	trans	-54.7	-47.2	-177.3	-78.5	170.8	-175.1	-61.4	0	113	A825 C826 N887 F888 C1050	A825-K829 HydrophobicContact CB-CD 4.38Å; A825-K829 WeakPolarHBondContact O-CB 3.16Å; A825-K829 WeakPolarHBondContact O-CG 3.37Å; A825-K829 PolarHBondContact O-N 3.02Å; C826-K829 PolarHBondContact O-N 3.33Å; K829-N887 CarbonylContact O-C 3.54Å; K829-N887 VanDerWaalsContact O-C 3.31Å; K829-N887 WeakPolarHBondContact O-CA 3.36Å; K829-F888 PolarHBondContact O-N 2.89Å; K829-C1050 WeakPolarHBondContact CE-SG 3.35Å; K829-C1050 PolarHBondContact NZ-SG 3.09Å
830	Y	98	Very high	97.9	Very high	77 Å²	77	12.8 Å²	12.8	30%	0.302	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.1	-175.3	-56.1	-77.3	0	0	0	114	K796 C826 S828	K796-Y830 HydrophobicContact CB-CD2 3.95Å; K796-Y830 HydrophobicContact CB-CE2 3.93Å; K796-Y830 HydrophobicContact CD-CD2 4.37Å; K796-Y830 HydrophobicContact CD-CE2 3.83Å; K796-Y830 HydrophobicContact CG-CD2 3.66Å; K796-Y830 HydrophobicContact CG-CE2 3.61Å; K796-Y830 HydrophobicContact CG-CG 4.21Å; C826-Y830 HydrophobicContact CB-CD2 4.25Å; C826-Y830 HydrophobicContact CB-CE2 4.13Å; C826-Y830 WeakPolarHBondContact O-CD2 3.36Å; C826-Y830 PolarHBondContact O-N 3.22Å; S828-Y830 PolarHBondContact O-N 2.83Å
831	S	98.2	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2	173.6	68	0	0	0	0	114.1	V809 V827 S828 G833 A899	V809-S831 PolarHBondContact N-OG 3.33Å; V827-S831 WeakPolarHBondContact O-CB 3.42Å; V827-S831 PolarHBondContact O-OG 3.2Å; S828-S831 PolarHBondContact O-N 3.28Å; S828-S831 PolarHBondContact O-OG 3.41Å; S831-G833 VanDerWaalsContact C-N 3.26Å; S831-G833 PolarHBondContact O-N 2.95Å; S831-A899 WeakPolarHBondContact O-CB 3.32Å
832	A	97.9	Very high	97.8	Very high	7 Å²	7	14.5 Å²	14.5	6%	0.058	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	26.5	-171.5	0	0	0	0	0	114.9	S828 L898	S828-A832 PolarHBondContact O-N 2.77Å; A832-L898 HydrophobicContact CB-CB 4.29Å; A832-L898 HydrophobicContact CB-CD2 3.73Å
833	G	97.3	Very high	97.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	9%	0.085	C	C	.	.			trans	-83.1	174.2	170.6	0	0	0	0	0	113.7	S828 S831 N887	S828-G833 PolarHBondContact O-N 2.85Å; S831-G833 VanDerWaalsContact C-N 3.26Å; S831-G833 PolarHBondContact O-N 2.95Å; G833-N887 PolarHBondContact O-ND2 3.03Å
834	S	97.6	Very high	97.6	Very high	10 Å²	10	22 Å²	22	7%	0.07	11%	0.113	C	C	.	.			trans	-98.4	158.2	177.6	-31.2	0	0	0	0	110.8	D810 L811 S828 R863	D810-S834 WeakPolarHBondContact CA-O 3.41Å; D810-S834 WeakPolarHBondContact OD1-CA 3.41Å; D810-S834 WeakPolarHBondContact OD1-CB 3.42Å; D810-S834 PolarHBondContact OD1-N 3.08Å; D810-S834 PolarHBondContact OD1-OG 2.93Å; L811-S834 PolarHBondContact N-O 3.32Å; S828-S834 WeakPolarHBondContact CB-O 3.48Å; S828-S834 PolarHBondContact OG-O 3.46Å; S834-R863 PolarHBondContact OG-NH2 3.31Å
835	V	98.5	Very high	97.3	Very high	11 Å²	11	28.9 Å²	28.9	7%	0.067	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.3	170.5	178.1	0	0	0	0	108.5	L811 L821 A825 F1047	L811-V835 HydrophobicContact CD2-CG1 4.46Å; L811-V835 CarbonylContact O-C 3.58Å; L811-V835 WeakPolarHBondContact O-CA 3.49Å; L821-V835 HydrophobicContact CD1-CG1 3.97Å; A825-V835 HydrophobicContact CB-CG2 4.05Å; V835-F1047 HydrophobicContact CG1-CD2 4.22Å; V835-F1047 HydrophobicContact CG1-CE2 4.38Å
836	F	98.3	Very high	97	Very high	20 Å²	20	31 Å²	31	9%	0.088	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.2	174	-60.3	-91.8	0	0	0	109.1	L811 F812 L813 Y838 Y860 F1170	L811-F836 PolarHBondContact O-N 3.06Å; F812-F836 HydrophobicContact CD1-CB 3.93Å; F812-F836 HydrophobicContact CD1-CD2 4.23Å; F812-F836 HydrophobicContact CD1-CG 4.19Å; F812-F836 AromaticContact CD2-CD2 3.9Å; F812-F836 HydrophobicContact CD2-CD2 3.9Å; F812-F836 HydrophobicContact CE1-CB 4.13Å; F812-F836 HydrophobicContact CE1-CD1 4.44Å; F812-F836 AromaticContact CE1-CD2 3.85Å; F812-F836 HydrophobicContact CE1-CD2 3.85Å; F812-F836 HydrophobicContact CE1-CE2 4.35Å; F812-F836 AromaticContact CE1-CG 3.9Å; F812-F836 HydrophobicContact CE1-CG 3.9Å; F812-F836 AromaticContact CE2-CD2 3.48Å; F812-F836 HydrophobicContact CE2-CD2 3.48Å; F812-F836 VanDerWaalsContact CE2-CD2 3.48Å; F812-F836 AromaticContact CE2-CE2 3.72Å; F812-F836 HydrophobicContact CE2-CE2 3.72Å; F812-F836 HydrophobicContact CE2-CG 4.34Å; F812-F836 HydrophobicContact CG-CB 4.21Å; F812-F836 HydrophobicContact CG-CD2 4.24Å; F812-F836 AromaticContact CZ-CD2 3.45Å; F812-F836 HydrophobicContact CZ-CD2 3.45Å; F812-F836 VanDerWaalsContact CZ-CD2 3.45Å; F812-F836 AromaticContact CZ-CE2 3.6Å; F812-F836 HydrophobicContact CZ-CE2 3.6Å; F812-F836 AromaticContact CZ-CG 3.97Å; F812-F836 HydrophobicContact CZ-CG 3.97Å; F812-F836 HydrophobicContact CZ-CZ 4.24Å; L813-F836 PolarHBondContact N-O 2.79Å; F836-Y838 HydrophobicContact CB-CE2 3.64Å; F836-Y860 AromaticContact CE2-CD2 3.67Å; F836-Y860 HydrophobicContact CE2-CD2 3.67Å; F836-Y860 HydrophobicContact CE2-CE2 4.09Å; F836-Y860 HydrophobicContact CE2-CG 4.47Å; F836-Y860 AromaticContact CZ-CD2 3.82Å; F836-Y860 HydrophobicContact CZ-CD2 3.82Å; F836-F1170 AromaticContact CE1-CE1 3.9Å; F836-F1170 HydrophobicContact CE1-CE1 3.9Å; F836-F1170 AromaticContact CE1-CZ 3.88Å; F836-F1170 HydrophobicContact CE1-CZ 3.88Å; F836-F1170 HydrophobicContact CZ-CE1 4.41Å; F836-F1170 HydrophobicContact CZ-CZ 4.16Å
837	Y	98.1	Very high	96.5	Very high	8 Å²	8	34.5 Å²	34.5	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.9	-179.3	-175.9	-133.8	0	0	0	111.7	L813 P839 D1043 E1044 F1047	L813-Y837 HydrophobicContact CB-CD2 4.01Å; L813-Y837 HydrophobicContact CD2-CD2 3.74Å; L813-Y837 HydrophobicContact CD2-CE2 3.75Å; L813-Y837 HydrophobicContact CG-CD2 3.83Å; L813-Y837 HydrophobicContact CG-CE2 4Å; L813-Y837 WeakPolarHBondContact O-CA 3.05Å; L813-Y837 WeakPolarHBondContact O-CD2 3.26Å; Y837-P839 HydrophobicContact CD1-CB 4.43Å; Y837-P839 HydrophobicContact CD1-CG 4.38Å; Y837-P839 HydrophobicContact CE1-CB 3.72Å; Y837-P839 HydrophobicContact CE1-CG 4.09Å; Y837-P839 HydrophobicContact CE2-CB 4.49Å; Y837-D1043 HydrophobicContact CE1-CB 4.41Å; Y837-E1044 HydrophobicContact CE1-CG 4.12Å; Y837-F1047 VanDerWaalsContact CB-CD2 3.4Å; Y837-F1047 HydrophobicContact CD1-CB 3.84Å; Y837-F1047 HydrophobicContact CD1-CD1 4.12Å; Y837-F1047 AromaticContact CD1-CG 3.9Å; Y837-F1047 HydrophobicContact CD1-CG 3.9Å; Y837-F1047 HydrophobicContact CG-CB 4.35Å; Y837-F1047 HydrophobicContact CG-CD2 4.37Å; Y837-F1047 HydrophobicContact CG-CG 4.17Å
838	Y	97.4	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.			trans	-130.3	80.1	-178.5	-52.7	-91.7	0	0	0	108.8	F812 L813 L814 F836 S840 F841 K852 F853 D856	F812-Y838 AromaticContact CD1-CE2 3.78Å; F812-Y838 HydrophobicContact CD1-CE2 3.78Å; F812-Y838 HydrophobicContact CE1-CE2 4.43Å; L813-Y838 PolarHBondContact O-N 2.65Å; L814-Y838 HydrophobicContact CD2-CD2 4.22Å; L814-Y838 HydrophobicContact CG-CD2 3.97Å; F836-Y838 HydrophobicContact CB-CE2 3.64Å; Y838-S840 PolarHBondContact O-N 2.71Å; Y838-F841 WeakPolarHBondContact O-CB 3.22Å; Y838-F841 PolarHBondContact O-N 3.42Å; Y838-K852 HydrophobicContact CD1-CD 4.27Å; Y838-K852 HydrophobicContact CE1-CD 4.25Å; Y838-K852 HydrophobicContact CE1-CG 4.15Å; Y838-F853 HydrophobicContact CD1-CB 3.99Å; Y838-F853 HydrophobicContact CD2-CD2 4.41Å; Y838-F853 VanDerWaalsContact CE1-CA 3.5Å; Y838-F853 HydrophobicContact CE1-CB 3.78Å; Y838-F853 HydrophobicContact CE1-CD2 4.14Å; Y838-F853 HydrophobicContact CE1-CG 4.49Å; Y838-F853 AromaticContact CE2-CD2 3.98Å; Y838-F853 HydrophobicContact CE2-CD2 3.98Å; Y838-F853 AromaticContact CZ-CD2 3.82Å; Y838-D856 VanDerWaalsContact OH-CB 3.24Å; Y838-D856 WeakPolarHBondContact OH-CB 3.45Å; Y838-D856 PolarHBondContact OH-OD2 2.84Å
839	P	95.9	Very high	95.6	Very high	36 Å²	36	37.7 Å²	37.7	23%	0.234	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	127.1	-173.1	23.8	-33	0	0	0	111.3	Y837 F841	Y837-P839 HydrophobicContact CD1-CB 4.43Å; Y837-P839 HydrophobicContact CD1-CG 4.38Å; Y837-P839 HydrophobicContact CE1-CB 3.72Å; Y837-P839 HydrophobicContact CE1-CG 4.09Å; Y837-P839 HydrophobicContact CE2-CB 4.49Å; P839-F841 PolarHBondContact O-N 3.31Å
840	S	95.9	Very high	95.5	Very high	42 Å²	42	36.3 Å²	36.3	29%	0.294	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.9	-177.7	-55.2	0	0	0	0	112.8	S815 Y838 H842 N846 R1041	S815-S840 PolarHBondContact O-N 3.39Å; Y838-S840 PolarHBondContact O-N 2.71Å; S840-H842 PolarHBondContact O-N 3.14Å; S840-N846 WeakPolarHBondContact O-CB 3.44Å; S840-N846 PolarHBondContact O-ND2 3.16Å; S840-R1041 PolarHBondContact OG-NH1 2.86Å
841	F	97.4	Very high	95.1	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.022	19%	0.191	C	C	.	.			trans	-54.8	133.4	168.5	-179.2	-80.6	0	0	0	111	A640 L814 Y838 P839 Q849 L850 F853	A640-F841 HydrophobicContact CB-CD1 4.22Å; A640-F841 WeakPolarHBondContact O-CE1 3.22Å; L814-F841 HydrophobicContact CB-CB 3.97Å; L814-F841 HydrophobicContact CB-CD1 4.43Å; L814-F841 HydrophobicContact CB-CG 4.15Å; L814-F841 HydrophobicContact CD2-CD1 4.1Å; L814-F841 HydrophobicContact CD2-CD2 3.74Å; L814-F841 HydrophobicContact CD2-CE1 4.25Å; L814-F841 HydrophobicContact CD2-CE2 3.87Å; L814-F841 HydrophobicContact CD2-CG 3.86Å; L814-F841 HydrophobicContact CD2-CZ 4.14Å; Y838-F841 WeakPolarHBondContact O-CB 3.22Å; Y838-F841 PolarHBondContact O-N 3.42Å; P839-F841 PolarHBondContact O-N 3.31Å; F841-Q849 HydrophobicContact CB-CB 4.44Å; F841-Q849 HydrophobicContact CD2-CB 3.98Å; F841-L850 HydrophobicContact CE2-CB 4.34Å; F841-L850 HydrophobicContact CE2-CD1 4.45Å; F841-L850 HydrophobicContact CZ-CB 4.48Å; F841-L850 HydrophobicContact CZ-CD1 4.1Å; F841-F853 HydrophobicContact CD2-CB 4.38Å; F841-F853 HydrophobicContact CE2-CB 3.71Å; F841-F853 AromaticContact CE2-CD1 3.97Å; F841-F853 HydrophobicContact CE2-CD1 3.97Å; F841-F853 AromaticContact CE2-CG 3.86Å; F841-F853 HydrophobicContact CE2-CG 3.86Å; F841-F853 HydrophobicContact CZ-CD1 4.18Å
842	H	97.3	Very high	94.8	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.139	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-162	127	169.1	-171.1	-58.5	0	0	0	108.8	E639 S840 I844 H845 N846	E639-H842 PolarHBondContact O-NE2 3.38Å; S840-H842 PolarHBondContact O-N 3.14Å; H842-I844 PolarHBondContact ND1-N 3.14Å; H842-I844 VanDerWaalsContact ND1-N 3.18Å; H842-I844 PolarHBondContact O-N 3.04Å; H842-H845 HydrophobicContact CB-CB 4.12Å; H842-H845 AromaticContact CD2-CD2 3.75Å; H842-H845 AromaticContact CE1-CD2 3.5Å; H842-H845 PolarHBondContact CE1-CD2 2.89Å; H842-H845 VanDerWaalsContact CE1-CD2 3.5Å; H842-H845 AromaticContact CG-CD2 3.92Å; H842-H845 AromaticContact ND1-CD2 3.76Å; H842-H845 PolarHBondContact ND1-N 2.67Å; H842-H845 AromaticContact NE2-CD2 3.46Å; H842-H845 PolarHBondContact NE2-CD2 3.3Å; H842-N846 HydrophobicContact CB-CB 4.45Å; H842-N846 CarbonylContact O-C 3.39Å; H842-N846 VanDerWaalsContact O-C 3.31Å; H842-N846 WeakPolarHBondContact O-CA 3.28Å; H842-N846 PolarHBondContact O-N 3.36Å
843	H	95.4	Very high	94.8	Very high	49 Å²	49	36.2 Å²	36.2	23%	0.227	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-47.5	-174.2	66.2	-68.4	0	0	0	114.6	A640 Y645 L850	A640-H843 PolarHBondContact O-N 2.89Å; A640-H843 PolarHBondContact O-ND1 2.81Å; Y645-H843 HydrophobicContact CD2-CB 4.28Å; Y645-H843 HydrophobicContact CE2-CB 3.6Å; H843-L850 HydrophobicContact CB-CD2 4.18Å
844	I	95.1	Very high	94.7	Very high	114 Å²	114	39.7 Å²	39.7	59%	0.585	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-52.8	173.7	-67.1	159.6	0	0	0	112.9	H842	H842-I844 PolarHBondContact ND1-N 3.14Å; H842-I844 VanDerWaalsContact ND1-N 3.18Å; H842-I844 PolarHBondContact O-N 3.04Å
845	H	93.6	Very high	94.4	Very high	148 Å²	148	43 Å²	43	69%	0.685	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.7	-167.3	-61.5	-49.2	0	0	0	115.2	H842	H842-H845 HydrophobicContact CB-CB 4.12Å; H842-H845 AromaticContact CD2-CD2 3.75Å; H842-H845 AromaticContact CE1-CD2 3.5Å; H842-H845 PolarHBondContact CE1-CD2 2.89Å; H842-H845 VanDerWaalsContact CE1-CD2 3.5Å; H842-H845 AromaticContact CG-CD2 3.92Å; H842-H845 AromaticContact ND1-CD2 3.76Å; H842-H845 PolarHBondContact ND1-N 2.67Å; H842-H845 AromaticContact NE2-CD2 3.46Å; H842-H845 PolarHBondContact NE2-CD2 3.3Å
846	N	91.1	Very high	94.3	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-141.1	65.5	178.8	-166.8	-7.6	0	0	0	111.4	S840 H842 A848 Q849 L850	S840-N846 WeakPolarHBondContact O-CB 3.44Å; S840-N846 PolarHBondContact O-ND2 3.16Å; H842-N846 HydrophobicContact CB-CB 4.45Å; H842-N846 CarbonylContact O-C 3.39Å; H842-N846 VanDerWaalsContact O-C 3.31Å; H842-N846 WeakPolarHBondContact O-CA 3.28Å; H842-N846 PolarHBondContact O-N 3.36Å; N846-A848 PolarHBondContact O-N 2.86Å; N846-A848 VanDerWaalsContact O-N 3.15Å; N846-Q849 VanDerWaalsContact ND2-CG 3.25Å; N846-Q849 WeakPolarHBondContact ND2-CG 3.46Å; N846-Q849 PolarHBondContact O-N 2.88Å; N846-Q849 PolarHBondContact OD1-N 2.8Å; N846-L850 PolarHBondContact O-N 3.2Å
847	P	89.6	Confident	94.2	Very high	79 Å²	79	42.1 Å²	42.1	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-21.5	-175.2	26.4	-35.1	0	0	0	113.1	L850 E851	P847-L850 WeakPolarHBondContact O-CB 3.3Å; P847-L850 PolarHBondContact O-N 3.49Å; P847-E851 WeakPolarHBondContact O-CB 3.43Å; P847-E851 PolarHBondContact O-N 3.31Å
848	A	86.6	Confident	94.1	Very high	32 Å²	32	44.6 Å²	44.6	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-36.6	173.6	0	0	0	0	0	112.7	N846 K852	N846-A848 PolarHBondContact O-N 2.86Å; N846-A848 VanDerWaalsContact O-N 3.15Å; A848-K852 WeakPolarHBondContact O-CB 3.47Å; A848-K852 PolarHBondContact O-N 3.03Å; A848-K852 VanDerWaalsContact O-N 3.1Å
849	Q	91.5	Very high	94	Very high	37 Å²	37	47 Å²	47	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-73.9	-31.6	173	-69.5	-59.9	-45.8	0	0	112.2	F841 N846 F853	F841-Q849 HydrophobicContact CB-CB 4.44Å; F841-Q849 HydrophobicContact CD2-CB 3.98Å; N846-Q849 VanDerWaalsContact ND2-CG 3.25Å; N846-Q849 WeakPolarHBondContact ND2-CG 3.46Å; N846-Q849 PolarHBondContact O-N 2.88Å; N846-Q849 PolarHBondContact OD1-N 2.8Å; Q849-F853 WeakPolarHBondContact O-CB 3.41Å; Q849-F853 PolarHBondContact O-N 3.41Å
850	L	93.9	Very high	94.1	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-49.5	171.2	172	60.4	0	0	0	111.7	Y645 F841 H843 N846 P847 K852 F853 Q854	Y645-L850 HydrophobicContact CD1-CD1 3.84Å; Y645-L850 HydrophobicContact CD1-CD2 4.39Å; Y645-L850 HydrophobicContact CD2-CD1 3.59Å; Y645-L850 HydrophobicContact CD2-CD2 4.33Å; Y645-L850 HydrophobicContact CE1-CD1 4.29Å; Y645-L850 HydrophobicContact CE1-CD2 4Å; Y645-L850 HydrophobicContact CE2-CD1 4.09Å; Y645-L850 HydrophobicContact CE2-CD2 3.96Å; Y645-L850 HydrophobicContact CG-CD1 3.45Å; Y645-L850 VanDerWaalsContact CG-CD1 3.45Å; F841-L850 HydrophobicContact CE2-CB 4.34Å; F841-L850 HydrophobicContact CE2-CD1 4.45Å; F841-L850 HydrophobicContact CZ-CB 4.48Å; F841-L850 HydrophobicContact CZ-CD1 4.1Å; H843-L850 HydrophobicContact CB-CD2 4.18Å; N846-L850 PolarHBondContact O-N 3.2Å; P847-L850 WeakPolarHBondContact O-CB 3.3Å; P847-L850 PolarHBondContact O-N 3.49Å; L850-K852 VanDerWaalsContact C-N 3.34Å; L850-K852 PolarHBondContact O-N 2.94Å; L850-F853 WeakPolarHBondContact O-CB 3.38Å; L850-F853 PolarHBondContact O-N 3.41Å; L850-F853 VanDerWaalsContact O-N 3.14Å; L850-Q854 HydrophobicContact CD1-CG 4.09Å; L850-Q854 WeakPolarHBondContact O-CG 3.48Å; L850-Q854 PolarHBondContact O-N 3.06Å
851	E	90.9	Very high	94.2	Very high	52 Å²	52	43.3 Å²	43.3	24%	0.243	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-41.7	-179.7	-163	-155.9	-150	0	0	111.6	P847 R855	P847-E851 WeakPolarHBondContact O-CB 3.43Å; P847-E851 PolarHBondContact O-N 3.31Å; E851-R855 VanDerWaalsContact CD-CZ 3.43Å; E851-R855 WeakPolarHBondContact O-CG 3.28Å; E851-R855 PolarHBondContact O-N 2.79Å; E851-R855 IonicContact OE1-CZ 2.8Å; E851-R855 IonicContact OE1-NH1 2.95Å; E851-R855 IonicContact OE1-NH2 3.79Å; E851-R855 PolarHBondContact OE1-NH2 2.93Å; E851-R855 IonicContact OE2-CZ 3.44Å; E851-R855 IonicContact OE2-NH1 3.34Å; E851-R855 PolarHBondContact OE2-NH1 3.06Å; E851-R855 IonicContact OE2-NH2 3.49Å; E851-R855 PolarHBondContact OE2-NH2 3.36Å
852	K	92.5	Very high	94.2	Very high	29 Å²	29	45.2 Å²	45.2	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-49.2	170.7	-178.4	-173.2	175	-66.7	0	111.5	Y838 A848 L850 Q854 R855 D856	Y838-K852 HydrophobicContact CD1-CD 4.27Å; Y838-K852 HydrophobicContact CE1-CD 4.25Å; Y838-K852 HydrophobicContact CE1-CG 4.15Å; A848-K852 WeakPolarHBondContact O-CB 3.47Å; A848-K852 PolarHBondContact O-N 3.03Å; A848-K852 VanDerWaalsContact O-N 3.1Å; L850-K852 VanDerWaalsContact C-N 3.34Å; L850-K852 PolarHBondContact O-N 2.94Å; K852-Q854 PolarHBondContact O-N 3.34Å; K852-R855 PolarHBondContact O-N 3.25Å; K852-D856 WeakPolarHBondContact CG-OD2 3.33Å; K852-D856 IonicContact NZ-OD2 3.08Å; K852-D856 PolarHBondContact NZ-OD2 2.87Å; K852-D856 WeakPolarHBondContact O-CB 3.35Å; K852-D856 PolarHBondContact O-N 2.98Å
853	F	96.1	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-43.3	-179.6	171.4	-108.3	0	0	0	112.8	Y642 F646 F758 F812 L814 Y838 F841 Q849 L850 D856 L857	Y642-F853 HydrophobicContact CD2-CZ 4.39Å; F646-F853 HydrophobicContact CB-CZ 4.32Å; F758-F853 HydrophobicContact CD1-CE2 4.28Å; F758-F853 HydrophobicContact CD1-CZ 4.34Å; F758-F853 AromaticContact CE1-CE2 3.78Å; F758-F853 HydrophobicContact CE1-CE2 3.78Å; F758-F853 AromaticContact CE1-CZ 3.83Å; F758-F853 HydrophobicContact CE1-CZ 3.83Å; F812-F853 HydrophobicContact CD1-CD2 4.35Å; F812-F853 AromaticContact CD1-CE2 3.95Å; F812-F853 HydrophobicContact CD1-CE2 3.95Å; F812-F853 HydrophobicContact CE1-CE2 4.42Å; L814-F853 HydrophobicContact CD2-CD2 3.88Å; L814-F853 HydrophobicContact CD2-CE2 3.84Å; L814-F853 HydrophobicContact CD2-CG 4.39Å; L814-F853 HydrophobicContact CD2-CZ 4.32Å; Y838-F853 HydrophobicContact CD1-CB 3.99Å; Y838-F853 HydrophobicContact CD2-CD2 4.41Å; Y838-F853 VanDerWaalsContact CE1-CA 3.5Å; Y838-F853 HydrophobicContact CE1-CB 3.78Å; Y838-F853 HydrophobicContact CE1-CD2 4.14Å; Y838-F853 HydrophobicContact CE1-CG 4.49Å; Y838-F853 AromaticContact CE2-CD2 3.98Å; Y838-F853 HydrophobicContact CE2-CD2 3.98Å; Y838-F853 AromaticContact CZ-CD2 3.82Å; F841-F853 HydrophobicContact CD2-CB 4.38Å; F841-F853 HydrophobicContact CE2-CB 3.71Å; F841-F853 AromaticContact CE2-CD1 3.97Å; F841-F853 HydrophobicContact CE2-CD1 3.97Å; F841-F853 AromaticContact CE2-CG 3.86Å; F841-F853 HydrophobicContact CE2-CG 3.86Å; F841-F853 HydrophobicContact CZ-CD1 4.18Å; Q849-F853 WeakPolarHBondContact O-CB 3.41Å; Q849-F853 PolarHBondContact O-N 3.41Å; L850-F853 WeakPolarHBondContact O-CB 3.38Å; L850-F853 PolarHBondContact O-N 3.41Å; L850-F853 VanDerWaalsContact O-N 3.14Å; F853-D856 PolarHBondContact O-N 3.08Å; F853-L857 HydrophobicContact CE1-CD2 4.2Å; F853-L857 HydrophobicContact CZ-CD2 3.95Å; F853-L857 WeakPolarHBondContact O-CB 3.31Å; F853-L857 PolarHBondContact O-N 3.43Å
854	Q	95.1	Very high	94.2	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	22%	0.222	S	C	.	.	H	α-helix	trans	-64.7	-42.3	177.9	-69	176.7	-81.6	0	0	112.1	L850 K852 L857 D858	L850-Q854 HydrophobicContact CD1-CG 4.09Å; L850-Q854 WeakPolarHBondContact O-CG 3.48Å; L850-Q854 PolarHBondContact O-N 3.06Å; K852-Q854 PolarHBondContact O-N 3.34Å; Q854-L857 PolarHBondContact O-N 2.8Å; Q854-D858 PolarHBondContact O-N 3.36Å
855	R	92.3	Very high	94.3	Very high	81 Å²	81	39.3 Å²	39.3	31%	0.306	20%	0.196	S	C	.	.	H	α-helix	trans	-65.1	-45.3	175.6	-69.1	-174.7	-175.5	109.9	5	112.5	E851 K852 L857 D858 R859	E851-R855 VanDerWaalsContact CD-CZ 3.43Å; E851-R855 WeakPolarHBondContact O-CG 3.28Å; E851-R855 PolarHBondContact O-N 2.79Å; E851-R855 IonicContact OE1-CZ 2.8Å; E851-R855 IonicContact OE1-NH1 2.95Å; E851-R855 IonicContact OE1-NH2 3.79Å; E851-R855 PolarHBondContact OE1-NH2 2.93Å; E851-R855 IonicContact OE2-CZ 3.44Å; E851-R855 IonicContact OE2-NH1 3.34Å; E851-R855 PolarHBondContact OE2-NH1 3.06Å; E851-R855 IonicContact OE2-NH2 3.49Å; E851-R855 PolarHBondContact OE2-NH2 3.36Å; K852-R855 PolarHBondContact O-N 3.25Å; R855-L857 VanDerWaalsContact C-N 3.31Å; R855-L857 PolarHBondContact O-N 3.27Å; R855-D858 PolarHBondContact O-N 3.42Å; R855-R859 PolarHBondContact O-N 3.36Å
856	D	95.8	Very high	94.6	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-38	178.7	-73.4	-16.4	0	0	0	111.4	Y838 K852 F853 Y860 F1170	Y838-D856 VanDerWaalsContact OH-CB 3.24Å; Y838-D856 WeakPolarHBondContact OH-CB 3.45Å; Y838-D856 PolarHBondContact OH-OD2 2.84Å; K852-D856 WeakPolarHBondContact CG-OD2 3.33Å; K852-D856 IonicContact NZ-OD2 3.08Å; K852-D856 PolarHBondContact NZ-OD2 2.87Å; K852-D856 WeakPolarHBondContact O-CB 3.35Å; K852-D856 PolarHBondContact O-N 2.98Å; F853-D856 PolarHBondContact O-N 3.08Å; D856-Y860 WeakPolarHBondContact O-CB 3.08Å; D856-Y860 PolarHBondContact O-N 3.34Å; D856-F1170 HydrophobicContact CB-CD1 4.34Å; D856-F1170 HydrophobicContact CB-CE1 4.49Å; D856-F1170 WeakPolarHBondContact OD1-CD1 3.39Å
857	L	96.6	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-43.3	178.2	-173.5	58.6	0	0	0	112.2	F646 F758 F812 F853 Q854 R855 R859 Y860 L861	F646-L857 HydrophobicContact CD2-CD2 4.06Å; F758-L857 HydrophobicContact CZ-CD1 4.23Å; F812-L857 HydrophobicContact CE1-CD1 4.45Å; F812-L857 HydrophobicContact CZ-CD1 4.39Å; F853-L857 HydrophobicContact CE1-CD2 4.2Å; F853-L857 HydrophobicContact CZ-CD2 3.95Å; F853-L857 WeakPolarHBondContact O-CB 3.31Å; F853-L857 PolarHBondContact O-N 3.43Å; Q854-L857 PolarHBondContact O-N 2.8Å; R855-L857 VanDerWaalsContact C-N 3.31Å; R855-L857 PolarHBondContact O-N 3.27Å; L857-R859 PolarHBondContact O-N 3.19Å; L857-Y860 HydrophobicContact CD1-CD1 4.16Å; L857-Y860 PolarHBondContact O-N 2.93Å; L857-Y860 VanDerWaalsContact O-N 3.13Å; L857-L861 HydrophobicContact CD1-CD1 4.06Å; L857-L861 HydrophobicContact CD1-CD2 4.25Å; L857-L861 HydrophobicContact CD1-CG 3.89Å; L857-L861 HydrophobicContact CG-CD1 3.96Å; L857-L861 HydrophobicContact CG-CG 4.21Å; L857-L861 WeakPolarHBondContact O-CB 3.35Å; L857-L861 VanDerWaalsContact O-CG 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.23Å; L857-L861 PolarHBondContact O-N 3.21Å
858	D	96.1	Very high	95.2	Very high	60 Å²	60	27 Å²	27	32%	0.321	13%	0.131	S	C	.	.	H	α-helix	trans	-59.5	-47.8	175.8	-174.4	87.9	0	0	0	111.3	N653 K656 Q854 R855 Y860 L861 T862	N653-D858 PolarHBondContact ND2-OD1 3.02Å; N653-D858 PolarHBondContact OD1-OD1 3.3Å; N653-D858 VanDerWaalsContact OD1-OD1 3.09Å; K656-D858 IonicContact NZ-OD1 2.83Å; K656-D858 PolarHBondContact NZ-OD1 2.89Å; Q854-D858 PolarHBondContact O-N 3.36Å; R855-D858 PolarHBondContact O-N 3.42Å; D858-Y860 VanDerWaalsContact C-N 3.35Å; D858-Y860 PolarHBondContact O-N 3.04Å; D858-L861 PolarHBondContact O-N 3.41Å; D858-T862 WeakPolarHBondContact O-CB 3.46Å; D858-T862 VanDerWaalsContact O-CG2 3.3Å; D858-T862 WeakPolarHBondContact O-CG2 3.39Å; D858-T862 PolarHBondContact O-N 3.04Å; D858-T862 PolarHBondContact O-OG1 3.31Å
859	R	95.7	Very high	95.8	Very high	50 Å²	50	25.5 Å²	25.5	19%	0.189	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-44.6	171.9	175	62.9	-177.8	-179.5	-0.6	111.4	D537 R855 L857 L861 T862 R863 D904 A1169 F1170	D537-R859 IonicContact OD2-CZ 2.66Å; D537-R859 IonicContact OD2-NH1 3.45Å; D537-R859 PolarHBondContact OD2-NH1 3.12Å; D537-R859 IonicContact OD2-NH2 3.6Å; D537-R859 PolarHBondContact OD2-NH2 3.09Å; R855-R859 PolarHBondContact O-N 3.36Å; L857-R859 PolarHBondContact O-N 3.19Å; R859-L861 PolarHBondContact O-N 3.38Å; R859-T862 PolarHBondContact O-N 2.82Å; R859-R863 WeakPolarHBondContact O-CB 3.5Å; R859-R863 WeakPolarHBondContact O-CG 3.29Å; R859-R863 PolarHBondContact O-N 3.17Å; R859-D904 IonicContact CZ-OD1 3.32Å; R859-D904 IonicContact NE-OD1 2.78Å; R859-D904 PolarHBondContact NE-OD1 3.35Å; R859-D904 IonicContact NE-OD2 3.02Å; R859-D904 IonicContact NH2-OD1 2.7Å; R859-D904 PolarHBondContact NH2-OD1 2.82Å; R859-D904 IonicContact NH2-OD2 2.75Å; R859-A1169 VanDerWaalsContact CD-O 3.24Å; R859-A1169 WeakPolarHBondContact CD-O 3.44Å; R859-A1169 VanDerWaalsContact CG-O 3.32Å; R859-A1169 WeakPolarHBondContact CG-O 3.36Å; R859-A1169 PolarHBondContact NE-O 3.43Å; R859-F1170 HydrophobicContact CB-CD1 3.92Å; R859-F1170 HydrophobicContact CB-CE1 3.81Å; R859-F1170 HydrophobicContact CG-CD1 3.75Å; R859-F1170 HydrophobicContact CG-CE1 3.48Å; R859-F1170 VanDerWaalsContact CG-CE1 3.48Å; R859-F1170 HydrophobicContact CG-CG 4.38Å; R859-F1170 HydrophobicContact CG-CZ 3.89Å
860	Y	98.1	Very high	96.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-34.9	-177.6	172.5	-92.7	0	0	0	114	R754 T756 D810 F812 F836 D856 L857 D858	R754-Y860 VanDerWaalsContact CD-OH 3.28Å; R754-Y860 WeakPolarHBondContact CD-OH 3.46Å; R754-Y860 VanDerWaalsContact CZ-CE1 3.49Å; R754-Y860 VanDerWaalsContact CZ-CZ 3.4Å; R754-Y860 VanDerWaalsContact CZ-OH 3.32Å; R754-Y860 PolarHBondContact NE-OH 3.05Å; R754-Y860 VanDerWaalsContact NE-OH 3.11Å; R754-Y860 PolarHBondContact NH1-O 3.32Å; T756-Y860 HydrophobicContact CG2-CE1 3.54Å; T756-Y860 WeakPolarHBondContact CG2-OH 3.36Å; T756-Y860 PolarHBondContact OG1-OH 2.97Å; D810-Y860 HydrophobicContact CB-CE2 3.84Å; D810-Y860 WeakPolarHBondContact CB-OH 3.34Å; D810-Y860 VanDerWaalsContact CG-CE2 3.47Å; D810-Y860 VanDerWaalsContact CG-OH 3.26Å; D810-Y860 VanDerWaalsContact OD2-CE2 3.24Å; D810-Y860 WeakPolarHBondContact OD2-CE2 3.15Å; D810-Y860 VanDerWaalsContact OD2-CZ 3.3Å; D810-Y860 PolarHBondContact OD2-OH 2.88Å; F812-Y860 HydrophobicContact CE2-CD1 4.07Å; F812-Y860 HydrophobicContact CE2-CD2 4.12Å; F812-Y860 HydrophobicContact CE2-CE1 4.03Å; F812-Y860 HydrophobicContact CE2-CE2 4.08Å; F812-Y860 HydrophobicContact CE2-CG 4.13Å; F812-Y860 AromaticContact CZ-CD1 3.86Å; F812-Y860 HydrophobicContact CZ-CD1 3.86Å; F812-Y860 AromaticContact CZ-CD2 3.99Å; F812-Y860 HydrophobicContact CZ-CD2 3.99Å; F812-Y860 HydrophobicContact CZ-CE1 4.3Å; F812-Y860 HydrophobicContact CZ-CE2 4.42Å; F812-Y860 AromaticContact CZ-CG 3.71Å; F812-Y860 HydrophobicContact CZ-CG 3.71Å; F836-Y860 AromaticContact CE2-CD2 3.67Å; F836-Y860 HydrophobicContact CE2-CD2 3.67Å; F836-Y860 HydrophobicContact CE2-CE2 4.09Å; F836-Y860 HydrophobicContact CE2-CG 4.47Å; F836-Y860 AromaticContact CZ-CD2 3.82Å; F836-Y860 HydrophobicContact CZ-CD2 3.82Å; D856-Y860 WeakPolarHBondContact O-CB 3.08Å; D856-Y860 PolarHBondContact O-N 3.34Å; L857-Y860 HydrophobicContact CD1-CD1 4.16Å; L857-Y860 PolarHBondContact O-N 2.93Å; L857-Y860 VanDerWaalsContact O-N 3.13Å; D858-Y860 VanDerWaalsContact C-N 3.35Å; D858-Y860 PolarHBondContact O-N 3.04Å
861	L	98.3	Very high	96.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-78.2	-38	177.9	-67.3	179	0	0	0	111.9	F629 L650 N653 L657 P658 L857 D858 R859	F629-L861 HydrophobicContact CE1-CD2 4.03Å; F629-L861 HydrophobicContact CZ-CD2 4.1Å; L650-L861 HydrophobicContact CB-CD1 4.34Å; L650-L861 HydrophobicContact CD1-CD1 3.99Å; L650-L861 HydrophobicContact CD1-CD2 4.11Å; N653-L861 HydrophobicContact CB-CB 4.12Å; N653-L861 HydrophobicContact CB-CD1 3.87Å; L657-L861 HydrophobicContact CD2-CB 4.1Å; L657-L861 HydrophobicContact CD2-CD2 4.04Å; P658-L861 WeakPolarHBondContact CD-O 3.29Å; L857-L861 HydrophobicContact CD1-CD1 4.06Å; L857-L861 HydrophobicContact CD1-CD2 4.25Å; L857-L861 HydrophobicContact CD1-CG 3.89Å; L857-L861 HydrophobicContact CG-CD1 3.96Å; L857-L861 HydrophobicContact CG-CG 4.21Å; L857-L861 WeakPolarHBondContact O-CB 3.35Å; L857-L861 VanDerWaalsContact O-CG 3.28Å; L857-L861 WeakPolarHBondContact O-CG 3.23Å; L857-L861 PolarHBondContact O-N 3.21Å; D858-L861 PolarHBondContact O-N 3.41Å; R859-L861 PolarHBondContact O-N 3.38Å
862	T	97.4	Very high	96.6	Very high	46 Å²	46	26.1 Å²	26.1	28%	0.282	12%	0.12	S	C	.	.	H	α-helix	trans	-92.5	-25.5	-174.2	61.5	0	0	0	0	114.9	N653 K656 D858 R859	N653-T862 WeakPolarHBondContact OD1-CG2 3.29Å; K656-T862 HydrophobicContact CB-CG2 3.88Å; K656-T862 HydrophobicContact CD-CG2 4Å; D858-T862 WeakPolarHBondContact O-CB 3.46Å; D858-T862 VanDerWaalsContact O-CG2 3.3Å; D858-T862 WeakPolarHBondContact O-CG2 3.39Å; D858-T862 PolarHBondContact O-N 3.04Å; D858-T862 PolarHBondContact O-OG1 3.31Å; R859-T862 PolarHBondContact O-N 2.82Å
863	R	96.8	Very high	96.9	Very high	9 Å²	9	24.9 Å²	24.9	3%	0.034	12%	0.115	C	C	.	.	S	Bend	trans	-56.8	143.4	179.8	66.9	-175.9	-178.2	161.5	4.8	111.5	P658 S834 R859 N902 P903 D904	P658-R863 VanDerWaalsContact CG-O 3.22Å; P658-R863 WeakPolarHBondContact CG-O 3.36Å; S834-R863 PolarHBondContact OG-NH2 3.31Å; R859-R863 WeakPolarHBondContact O-CB 3.5Å; R859-R863 WeakPolarHBondContact O-CG 3.29Å; R859-R863 PolarHBondContact O-N 3.17Å; R863-N902 PolarHBondContact NH1-OD1 3.35Å; R863-P903 HydrophobicContact CB-CG 3.9Å; R863-P903 HydrophobicContact CG-CG 4.44Å; R863-D904 WeakPolarHBondContact CD-OD2 3.16Å; R863-D904 IonicContact CZ-OD2 3.91Å; R863-D904 IonicContact NE-OD2 2.7Å; R863-D904 IonicContact NH1-OD2 3.15Å; R863-D904 PolarHBondContact NH1-OD2 3.33Å
864	K	95.5	Very high	97	Very high	53 Å²	53	26.6 Å²	26.6	23%	0.23	12%	0.121	C	C	.	.			trans	-57.9	152.9	175.7	68.9	166.4	-168.4	-81.3	0	111.5	F535 R536 D537 P903	F535-K864 HydrophobicContact CD1-CD 4.49Å; F535-K864 HydrophobicContact CD1-CG 4.5Å; F535-K864 HydrophobicContact CE1-CD 3.79Å; F535-K864 VanDerWaalsContact CE1-CE 3.48Å; F535-K864 HydrophobicContact CE1-CG 3.79Å; F535-K864 HydrophobicContact CE2-CD 4.18Å; F535-K864 HydrophobicContact CZ-CD 3.61Å; F535-K864 HydrophobicContact CZ-CG 4.09Å; F535-K864 WeakPolarHBondContact O-CE 3.21Å; F535-K864 PolarHBondContact O-NZ 3.24Å; R536-K864 VanDerWaalsContact C-NZ 3.25Å; R536-K864 PolarHBondContact O-NZ 3.44Å; D537-K864 IonicContact OD1-NZ 2.7Å; D537-K864 PolarHBondContact OD1-NZ 3.36Å; K864-P903 HydrophobicContact CG-CB 4.2Å; K864-P903 HydrophobicContact CG-CG 4.03Å; K864-P903 WeakPolarHBondContact O-CD 3.39Å
865	V	97.8	Very high	97.1	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.036	11%	0.113	C	C	.	.			trans	-139.2	144	175.4	57.8	0	0	0	0	110.2	Y627 P658 F867 N900	Y627-V865 WeakPolarHBondContact OH-CG1 3.23Å; P658-V865 HydrophobicContact CB-CG1 4.13Å; P658-V865 HydrophobicContact CG-CG1 4.44Å; V865-F867 HydrophobicContact CG1-CE1 4.48Å; V865-F867 HydrophobicContact CG1-CE2 3.65Å; V865-F867 HydrophobicContact CG1-CZ 3.6Å; V865-F867 HydrophobicContact CG2-CE1 4.29Å; V865-F867 HydrophobicContact CG2-CE2 4.41Å; V865-F867 HydrophobicContact CG2-CZ 4.17Å; V865-N900 HydrophobicContact CG2-CB 4.33Å
866	G	98.2	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	141	164.7	0	0	0	0	0	110.2	N900 V901 T932	G866-N900 CarbonylContact O-C 3.58Å; G866-N900 VanDerWaalsContact O-CA 3.29Å; G866-N900 WeakPolarHBondContact O-CA 3.18Å; G866-V901 PolarHBondContact N-O 3.3Å; G866-V901 PolarHBondContact O-N 3.46Å; G866-T932 CarbonylContact C-O 3.51Å; G866-T932 WeakPolarHBondContact CA-O 3.37Å
867	F	98.4	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	161.6	178.7	-58.2	-87.3	0	0	0	110.7	Q623 A625 Y627 R754 V865 A869 T932	Q623-F867 HydrophobicContact CG-CB 3.96Å; A625-F867 HydrophobicContact CB-CE2 3.63Å; A625-F867 HydrophobicContact CB-CZ 3.71Å; Y627-F867 HydrophobicContact CE1-CZ 4.22Å; R754-F867 HydrophobicContact CB-CE1 4.3Å; V865-F867 HydrophobicContact CG1-CE1 4.48Å; V865-F867 HydrophobicContact CG1-CE2 3.65Å; V865-F867 HydrophobicContact CG1-CZ 3.6Å; V865-F867 HydrophobicContact CG2-CE1 4.29Å; V865-F867 HydrophobicContact CG2-CE2 4.41Å; V865-F867 HydrophobicContact CG2-CZ 4.17Å; F867-A869 PolarHBondContact O-N 3.21Å; F867-A869 VanDerWaalsContact O-N 3.13Å; F867-T932 PolarHBondContact N-O 3.3Å; F867-T932 PolarHBondContact O-N 3.04Å
868	E	96.7	Very high	97.5	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.9	46.7	173	50	-178.9	-164	0	0	112.6	R620 Q623 Q806 A899 T932 R938	R620-E868 IonicContact CZ-OE2 3.43Å; R620-E868 IonicContact NE-OE2 2.68Å; R620-E868 PolarHBondContact NE-OE2 2.77Å; R620-E868 IonicContact NH2-OE2 3.46Å; R620-E868 PolarHBondContact NH2-OE2 3.11Å; Q623-E868 HydrophobicContact CG-CG 4.09Å; Q623-E868 PolarHBondContact N-OE1 2.76Å; Q623-E868 VanDerWaalsContact NE2-CG 3.35Å; Q623-E868 PolarHBondContact NE2-OE2 3.19Å; Q623-E868 VanDerWaalsContact NE2-OE2 3.1Å; Q806-E868 HydrophobicContact CB-CB 3.91Å; Q806-E868 HydrophobicContact CG-CB 3.82Å; E868-A899 PolarHBondContact N-O 3.15Å; E868-T932 WeakPolarHBondContact CG-OG1 3.49Å; E868-T932 VanDerWaalsContact OE1-CB 3.28Å; E868-T932 WeakPolarHBondContact OE1-CB 3.45Å; E868-T932 PolarHBondContact OE1-OG1 3.23Å; E868-R938 PolarHBondContact O-NH1 3.04Å; E868-R938 PolarHBondContact O-NH2 3.38Å
869	A	98.1	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.4	-168.6	0	0	0	0	0	112	F867 L898 V901 L929 L930	F867-A869 PolarHBondContact O-N 3.21Å; F867-A869 VanDerWaalsContact O-N 3.13Å; A869-L898 CarbonylContact C-O 3.5Å; A869-L898 WeakPolarHBondContact CA-O 3.35Å; A869-L898 HydrophobicContact CB-CB 4.06Å; A869-L898 VanDerWaalsContact CB-O 3.28Å; A869-L898 WeakPolarHBondContact CB-O 3.46Å; A869-L898 PolarHBondContact N-O 3.36Å; A869-L898 CarbonylContact O-C 3.52Å; A869-L898 WeakPolarHBondContact O-CA 3.39Å; A869-L898 PolarHBondContact O-N 3.46Å; A869-V901 HydrophobicContact CB-CB 4.36Å; A869-V901 HydrophobicContact CB-CG1 3.9Å; A869-L929 HydrophobicContact CB-CD1 4.2Å; A869-L930 CarbonylContact C-O 3.53Å; A869-L930 WeakPolarHBondContact CA-O 3.18Å; A869-L930 WeakPolarHBondContact CB-O 3.43Å
870	V	97.9	Very high	97.6	Very high	40 Å²	40	22.2 Å²	22.2	24%	0.242	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.1	170.2	-63.8	0	0	0	0	109.7	L895 L896 L929 L930	V870-L895 HydrophobicContact CB-CD1 3.98Å; V870-L895 HydrophobicContact CG2-CD1 4.37Å; V870-L896 CarbonylContact C-O 3.54Å; V870-L896 WeakPolarHBondContact CA-O 3.32Å; V870-L929 WeakPolarHBondContact O-CA 3.37Å; V870-L930 HydrophobicContact CG2-CB 3.94Å; V870-L930 HydrophobicContact CG2-CD2 4.01Å; V870-L930 HydrophobicContact CG2-CG 4.35Å; V870-L930 PolarHBondContact N-O 3.49Å; V870-L930 PolarHBondContact O-N 3.09Å
871	M	98.3	Very high	97.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.4	173.1	-174.9	166.8	65	0	0	109.6	P534 L896 L898 F907 A928 L929	P534-M871 HydrophobicContact CB-SD 4.02Å; P534-M871 HydrophobicContact CG-CE 4.45Å; P534-M871 HydrophobicContact CG-SD 3.8Å; M871-L896 HydrophobicContact CE-CD1 3.89Å; M871-L896 PolarHBondContact N-O 3.04Å; M871-L896 PolarHBondContact O-N 3.01Å; M871-L898 HydrophobicContact CB-CD1 3.82Å; M871-F907 HydrophobicContact CE-CB 4.41Å; M871-F907 HydrophobicContact CE-CD2 3.72Å; M871-F907 HydrophobicContact CE-CE2 4.11Å; M871-F907 HydrophobicContact CE-CG 3.98Å; M871-A928 WeakPolarHBondContact CA-O 3.49Å; M871-L929 HydrophobicContact CB-CD1 4.13Å
872	R	97.9	Very high	97.4	Very high	73 Å²	73	29 Å²	29	28%	0.275	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	171.1	-177	167.7	-77	-130.5	1.7	110.1	S892 D894 L895 A928	R872-S892 PolarHBondContact NH2-OG 2.93Å; R872-S892 VanDerWaalsContact NH2-OG 3.14Å; R872-D894 VanDerWaalsContact CA-O 3.28Å; R872-D894 WeakPolarHBondContact CA-O 3.36Å; R872-D894 WeakPolarHBondContact CD-OD2 3.46Å; R872-D894 HydrophobicContact CG-CB 4.37Å; R872-D894 WeakPolarHBondContact CG-O 3.43Å; R872-D894 WeakPolarHBondContact CG-OD2 3.32Å; R872-D894 VanDerWaalsContact CZ-CG 3.4Å; R872-D894 IonicContact CZ-OD1 3.24Å; R872-D894 IonicContact CZ-OD2 2.78Å; R872-D894 IonicContact NE-OD1 2.61Å; R872-D894 IonicContact NE-OD2 3.63Å; R872-D894 PolarHBondContact NE-OD2 3.12Å; R872-D894 VanDerWaalsContact NH1-CG 3.26Å; R872-D894 IonicContact NH1-OD1 2.77Å; R872-D894 PolarHBondContact NH1-OD1 2.95Å; R872-D894 VanDerWaalsContact NH1-OD1 3.08Å; R872-D894 IonicContact NH1-OD2 3.94Å; R872-D894 PolarHBondContact NH1-OD2 3.09Å; R872-D894 IonicContact NH2-OD1 2.81Å; R872-D894 PolarHBondContact NH2-OD1 2.98Å; R872-L895 HydrophobicContact CB-CD1 3.95Å; R872-A928 PolarHBondContact N-O 3.2Å; R872-A928 PolarHBondContact O-N 3.15Å
873	I	97.9	Very high	97.3	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.4	173.7	-59.6	178.6	0	0	0	108.3	L530 L532 I881 F884 D894 V909 Q926 A927	L530-I873 HydrophobicContact CD1-CG2 4.24Å; L532-I873 HydrophobicContact CD1-CD1 3.79Å; L532-I873 HydrophobicContact CD2-CD1 3.71Å; L532-I873 HydrophobicContact CD2-CG1 4.31Å; L532-I873 HydrophobicContact CG-CD1 4.44Å; I873-I881 HydrophobicContact CB-CD1 4Å; I873-I881 HydrophobicContact CG2-CD1 4.28Å; I873-F884 HydrophobicContact CD1-CE1 4.07Å; I873-D894 PolarHBondContact N-O 3.44Å; I873-V909 HydrophobicContact CD1-CG2 3.83Å; I873-Q926 WeakPolarHBondContact CA-O 3.22Å; I873-A927 HydrophobicContact CG1-CB 4.14Å
874	R	98.3	Very high	97.3	Very high	36 Å²	36	29.6 Å²	29.6	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.6	171.1	-62.9	178.1	178.3	71.5	4.4	109.2	C555 T557 L575 F925 Q926	C555-R874 WeakPolarHBondContact O-CD 3.5Å; C555-R874 PolarHBondContact O-NE 2.99Å; T557-R874 VanDerWaalsContact OG1-CD 3.27Å; T557-R874 WeakPolarHBondContact OG1-CD 3.5Å; L575-R874 HydrophobicContact CD2-CB 3.6Å; R874-F925 CarbonylContact O-C 3.52Å; R874-F925 WeakPolarHBondContact O-CA 3.27Å; R874-Q926 PolarHBondContact N-O 2.98Å; R874-Q926 PolarHBondContact O-N 3.2Å
875	C	98	Very high	97.4	Very high	26 Å²	26	27.3 Å²	27.3	18%	0.176	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	176.2	174.3	48.8	0	0	0	0	110.1	L575 L879 M911 C924 F925	L575-C875 WeakPolarHBondContact CD2-O 3.49Å; L575-C875 WeakPolarHBondContact CG-O 3.23Å; C875-L879 HydrophobicContact CB-CB 3.87Å; C875-L879 HydrophobicContact CB-CD1 4.47Å; C875-L879 VanDerWaalsContact SG-C 3.6Å; C875-L879 PolarHBondContact SG-O 2.87Å; C875-M911 HydrophobicContact CB-CE 3.98Å; C875-C924 CarbonylContact C-O 3.48Å; C875-C924 WeakPolarHBondContact CA-O 3.45Å; C875-F925 HydrophobicContact CB-CD1 3.7Å; C875-F925 HydrophobicContact CB-CE1 4Å
876	T	98.3	Very high	97.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.139	C	C	.	.			trans	-78.7	146.2	-178.5	-59.7	0	0	0	0	110.4	L575 Y577 G878 L879 C924	L575-T876 CarbonylContact O-C 3.57Å; L575-T876 WeakPolarHBondContact O-CA 3.49Å; Y577-T876 HydrophobicContact CE1-CG2 4.32Å; Y577-T876 WeakPolarHBondContact OH-CG2 3.26Å; T876-G878 PolarHBondContact O-N 3.27Å; T876-L879 WeakPolarHBondContact O-CB 3.37Å; T876-L879 PolarHBondContact O-N 3.12Å; T876-C924 PolarHBondContact N-O 3.21Å; T876-C924 VanDerWaalsContact N-O 3.11Å; T876-C924 WeakPolarHBondContact OG1-CA 3.45Å; T876-C924 PolarHBondContact OG1-N 3.07Å; T876-C924 PolarHBondContact OG1-O 2.87Å
877	K	96.9	Very high	97.4	Very high	125 Å²	125	28 Å²	28	54%	0.543	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	129.3	-178.6	-171.2	-157.7	179.3	-84.4	0	110.1	L575 D915 L917	L575-K877 PolarHBondContact O-N 2.96Å; K877-D915 VanDerWaalsContact NZ-CG 3.28Å; K877-D915 IonicContact NZ-OD1 3.58Å; K877-D915 IonicContact NZ-OD2 2.7Å; K877-D915 PolarHBondContact NZ-OD2 3.45Å; K877-L917 VanDerWaalsContact O-CD2 3.29Å; K877-L917 WeakPolarHBondContact O-CD2 3.23Å
878	G	96.5	Very high	97.4	Very high	5 Å²	5	29 Å²	29	5%	0.052	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	-16.5	-175.3	0	0	0	0	0	113.9	T876 I913 E914 D915	T876-G878 PolarHBondContact O-N 3.27Å; G878-I913 CarbonylContact O-C 3.48Å; G878-I913 WeakPolarHBondContact O-CA 3.44Å; G878-E914 PolarHBondContact O-N 2.95Å; G878-D915 PolarHBondContact O-N 3.04Å
879	L	97.9	Very high	97.3	Very high	12 Å²	12	31 Å²	31	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	148	166.1	-68.6	157.4	0	0	0	110.4	L528 C875 T876 S912 I913 L917 A923 F925	L528-L879 HydrophobicContact CD2-CD2 3.91Å; C875-L879 HydrophobicContact CB-CB 3.87Å; C875-L879 HydrophobicContact CB-CD1 4.47Å; C875-L879 VanDerWaalsContact SG-C 3.6Å; C875-L879 PolarHBondContact SG-O 2.87Å; T876-L879 WeakPolarHBondContact O-CB 3.37Å; T876-L879 PolarHBondContact O-N 3.12Å; L879-S912 WeakPolarHBondContact CA-O 2.95Å; L879-I913 HydrophobicContact CD2-CG1 3.9Å; L879-L917 HydrophobicContact CD1-CD1 4.31Å; L879-L917 HydrophobicContact CD2-CD1 4.32Å; L879-L917 HydrophobicContact CG-CD1 4.16Å; L879-L917 HydrophobicContact CG-CD2 4.3Å; L879-A923 HydrophobicContact CD1-CB 3.99Å; L879-F925 HydrophobicContact CD1-CE1 3.84Å; L879-F925 HydrophobicContact CD1-CE2 4.41Å; L879-F925 HydrophobicContact CD1-CZ 3.62Å; L879-F925 HydrophobicContact CD2-CZ 4.46Å
880	S	96.8	Very high	97	Very high	17 Å²	17	34 Å²	34	12%	0.119	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	164.4	174.1	70.1	0	0	0	0	112.7	M911 S912 E914	S880-M911 WeakPolarHBondContact O-CA 3.47Å; S880-M911 WeakPolarHBondContact O-CE 3.21Å; S880-S912 PolarHBondContact N-O 2.86Å; S880-S912 PolarHBondContact O-N 2.9Å; S880-S912 PolarHBondContact OG-OG 2.86Å; S880-E914 VanDerWaalsContact CB-CD 3.42Å; S880-E914 WeakPolarHBondContact CB-OE1 3.17Å; S880-E914 PolarHBondContact OG-OE1 3.28Å
881	I	96.5	Very high	96.5	Very high	28 Å²	28	37.8 Å²	37.8	14%	0.144	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.9	178.8	-65	164.6	0	0	0	108.5	I873 F884 T893 D894 V909 M911	I873-I881 HydrophobicContact CB-CD1 4Å; I873-I881 HydrophobicContact CG2-CD1 4.28Å; I881-F884 HydrophobicContact CD1-CZ 4.05Å; I881-F884 HydrophobicContact CG2-CD2 4.14Å; I881-F884 HydrophobicContact CG2-CE1 4.4Å; I881-F884 HydrophobicContact CG2-CE2 3.76Å; I881-F884 HydrophobicContact CG2-CZ 3.9Å; I881-T893 WeakPolarHBondContact CG2-O 3.45Å; I881-D894 HydrophobicContact CD1-CB 3.96Å; I881-V909 HydrophobicContact CG1-CG1 4.45Å; I881-V909 HydrophobicContact CG2-CG1 3.66Å; I881-M911 HydrophobicContact CB-SD 4.31Å; I881-M911 HydrophobicContact CG1-CE 3.79Å; I881-M911 HydrophobicContact CG1-SD 3.68Å
882	H	94.6	Very high	96	Very high	113 Å²	113	39.5 Å²	39.5	52%	0.523	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-45.8	-179.4	-176	-82.3	0	0	0	112.1	Q910	H882-Q910 HydrophobicContact CB-CB 4.32Å; H882-Q910 HydrophobicContact CB-CG 4.19Å; H882-Q910 WeakPolarHBondContact CB-O 3.27Å; H882-Q910 PolarHBondContact N-O 3.06Å; H882-Q910 PolarHBondContact ND1-OE1 3.1Å
883	T	96.2	Very high	95.6	Very high	45 Å²	45	41.7 Å²	41.7	28%	0.276	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	138.6	-176.3	-54.3	0	0	0	0	110.9	V909 Q910	T883-V909 CarbonylContact O-C 3.57Å; T883-V909 VanDerWaalsContact O-CA 3.29Å; T883-V909 WeakPolarHBondContact O-CA 3.34Å; T883-V909 WeakPolarHBondContact O-CG1 3.47Å; T883-Q910 PolarHBondContact N-O 3.17Å; T883-Q910 PolarHBondContact O-N 2.88Å
884	F	97.1	Very high	95.2	Very high	24 Å²	24	43 Å²	43	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	147.1	168	-66.9	-87	0	0	0	110.3	I873 I881 F888 T893 L896 V909	I873-F884 HydrophobicContact CD1-CE1 4.07Å; I881-F884 HydrophobicContact CD1-CZ 4.05Å; I881-F884 HydrophobicContact CG2-CD2 4.14Å; I881-F884 HydrophobicContact CG2-CE1 4.4Å; I881-F884 HydrophobicContact CG2-CE2 3.76Å; I881-F884 HydrophobicContact CG2-CZ 3.9Å; F884-F888 HydrophobicContact CB-CE1 3.83Å; F884-F888 HydrophobicContact CB-CE2 3.99Å; F884-F888 HydrophobicContact CB-CZ 3.33Å; F884-F888 HydrophobicContact CG-CZ 4.49Å; F884-T893 VanDerWaalsContact CE2-O 3.31Å; F884-T893 WeakPolarHBondContact CE2-O 3.46Å; F884-L896 HydrophobicContact CB-CD2 4.24Å; F884-L896 HydrophobicContact CD1-CD1 3.74Å; F884-L896 HydrophobicContact CD1-CD2 3.94Å; F884-L896 HydrophobicContact CD1-CG 4.03Å; F884-L896 HydrophobicContact CD2-CD2 3.78Å; F884-L896 HydrophobicContact CE1-CD1 3.93Å; F884-L896 HydrophobicContact CE1-CD2 4.12Å; F884-L896 HydrophobicContact CE1-CG 3.92Å; F884-L896 HydrophobicContact CE2-CD2 3.95Å; F884-L896 HydrophobicContact CE2-CG 4.48Å; F884-L896 HydrophobicContact CG-CD1 4.32Å; F884-L896 HydrophobicContact CG-CD2 3.76Å; F884-L896 HydrophobicContact CG-CG 4.37Å; F884-L896 HydrophobicContact CZ-CD2 4.12Å; F884-L896 HydrophobicContact CZ-CG 4.15Å; F884-V909 HydrophobicContact CD1-CB 4.47Å; F884-V909 HydrophobicContact CD1-CG1 3.98Å; F884-V909 HydrophobicContact CD1-CG2 3.73Å; F884-V909 HydrophobicContact CE1-CG1 4.19Å; F884-V909 HydrophobicContact CE1-CG2 4.13Å; F884-V909 HydrophobicContact CG-CG1 4.5Å
885	H	98	Very high	94.9	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.3	173.3	-41.2	-89.9	0	0	0	109.8	A908 N971 D975 K1053	H885-A908 HydrophobicContact CB-CB 4.33Å; H885-A908 PolarHBondContact N-O 3.33Å; H885-A908 PolarHBondContact O-N 3.05Å; H885-N971 HydrophobicContact CB-CB 3.96Å; H885-N971 WeakPolarHBondContact CB-OD1 3.34Å; H885-D975 IonicContact CE1-OD2 3.73Å; H885-D975 PolarHBondContact CE1-OD2 3.03Å; H885-D975 IonicContact ND1-OD2 3.64Å; H885-D975 PolarHBondContact ND1-OD2 3.38Å; H885-K1053 HydrophobicContact CB-CD 4.25Å
886	G	97.4	Very high	94.8	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	22%	0.216	C	C	.	.	S	Bend	trans	149.8	-169.2	-174.1	0	0	0	0	0	112.1	K1053	G886-K1053 WeakPolarHBondContact CA-O 3.36Å
887	N	98.1	Very high	94.8	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-102.5	113.2	174.4	-67.9	1.6	0	0	0	109.8	K829 G833 T1054	K829-N887 CarbonylContact O-C 3.54Å; K829-N887 VanDerWaalsContact O-C 3.31Å; K829-N887 WeakPolarHBondContact O-CA 3.36Å; G833-N887 PolarHBondContact O-ND2 3.03Å; N887-T1054 HydrophobicContact CB-CG2 4.14Å; N887-T1054 VanDerWaalsContact CG-CG2 3.48Å
888	F	97.1	Very high	94.8	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.088	19%	0.191	C	C	.	.	S	Bend	trans	-170.4	174.2	-176.3	46.2	-110.7	0	0	0	111	K829 F884 V890 L896 L898 F907	K829-F888 PolarHBondContact O-N 2.89Å; F884-F888 HydrophobicContact CB-CE1 3.83Å; F884-F888 HydrophobicContact CB-CE2 3.99Å; F884-F888 HydrophobicContact CB-CZ 3.33Å; F884-F888 HydrophobicContact CG-CZ 4.49Å; F888-V890 HydrophobicContact CD2-CG2 3.79Å; F888-V890 HydrophobicContact CE2-CG2 3.6Å; F888-L896 HydrophobicContact CB-CB 4.25Å; F888-L896 HydrophobicContact CB-CD1 4.38Å; F888-L896 HydrophobicContact CB-CD2 4.31Å; F888-L896 HydrophobicContact CD1-CD1 3.66Å; F888-L896 HydrophobicContact CD1-CD2 4.13Å; F888-L896 HydrophobicContact CD1-CG 4.44Å; F888-L896 HydrophobicContact CD2-CD2 3.7Å; F888-L896 HydrophobicContact CE1-CD1 4.11Å; F888-L896 HydrophobicContact CE1-CD2 4.42Å; F888-L896 HydrophobicContact CE2-CD2 4.07Å; F888-L896 HydrophobicContact CG-CD1 4Å; F888-L896 HydrophobicContact CG-CD2 3.77Å; F888-L896 HydrophobicContact CG-CG 4.32Å; F888-L896 HydrophobicContact CZ-CD2 4.43Å; F888-L898 HydrophobicContact CB-CD2 3.73Å; F888-F907 AromaticContact CD1-CD1 3.8Å; F888-F907 HydrophobicContact CD1-CD1 3.8Å; F888-F907 AromaticContact CD1-CE1 3.94Å; F888-F907 HydrophobicContact CD1-CE1 3.94Å; F888-F907 HydrophobicContact CE1-CD1 4.17Å
889	F	94.4	Very high	94.9	Very high	57 Å²	57	35.6 Å²	35.6	25%	0.25	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.1	159.3	174.6	-154.7	0	0	0	110.1	L800 S803 S897	L800-F889 HydrophobicContact CD2-CB 4.26Å; L800-F889 HydrophobicContact CD2-CD1 3.94Å; L800-F889 HydrophobicContact CD2-CD2 3.45Å; L800-F889 VanDerWaalsContact CD2-CD2 3.45Å; L800-F889 HydrophobicContact CD2-CE1 4.09Å; L800-F889 HydrophobicContact CD2-CE2 3.66Å; L800-F889 HydrophobicContact CD2-CG 3.63Å; L800-F889 HydrophobicContact CD2-CZ 3.98Å; S803-F889 WeakPolarHBondContact OG-CB 3.42Å; F889-S897 PolarHBondContact N-O 3Å; F889-S897 VanDerWaalsContact N-O 3.09Å; F889-S897 WeakPolarHBondContact O-CA 3.35Å; F889-S897 WeakPolarHBondContact O-CB 3.21Å; F889-S897 PolarHBondContact O-N 3.3Å
890	V	92.3	Very high	94.8	Very high	63 Å²	63	35.4 Å²	35.4	38%	0.382	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.9	177.2	-174.3	0	0	0	0	110	F888 S892 L896	F888-V890 HydrophobicContact CD2-CG2 3.79Å; F888-V890 HydrophobicContact CE2-CG2 3.6Å; V890-S892 VanDerWaalsContact CG1-O 3.25Å; V890-S892 WeakPolarHBondContact CG1-O 3.43Å; V890-L896 HydrophobicContact CG2-CD2 3.96Å
891	R	87.4	Confident	94.9	Very high	118 Å²	118	34.8 Å²	34.8	45%	0.445	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-29.5	178.7	-63.3	-69.7	-168.2	166.7	-2.2	113.2	S803 L895 S897	S803-R891 PolarHBondContact O-NH2 2.9Å; R891-L895 HydrophobicContact CB-CB 4.46Å; R891-L895 HydrophobicContact CB-CD2 3.88Å; R891-L895 HydrophobicContact CB-CG 4.15Å; R891-L895 PolarHBondContact N-O 2.85Å; R891-S897 PolarHBondContact NE-OG 3.07Å
892	S	89.1	Confident	94.9	Very high	40 Å²	40	34 Å²	34	28%	0.28	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	170.6	166.3	56.9	0	0	0	0	108.8	R872 V890 D894 L895	R872-S892 PolarHBondContact NH2-OG 2.93Å; R872-S892 VanDerWaalsContact NH2-OG 3.14Å; V890-S892 VanDerWaalsContact CG1-O 3.25Å; V890-S892 WeakPolarHBondContact CG1-O 3.43Å; S892-D894 PolarHBondContact O-N 2.88Å; S892-D894 PolarHBondContact OG-OD1 2.85Å; S892-L895 PolarHBondContact N-O 2.95Å; S892-L895 PolarHBondContact O-N 2.89Å; S892-L895 WeakPolarHBondContact OG-CB 3.35Å
893	T	88.4	Confident	95	Very high	118 Å²	118	28.6 Å²	28.6	72%	0.724	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-17.7	178.8	48	0	0	0	0	114.8	I881 F884	I881-T893 WeakPolarHBondContact CG2-O 3.45Å; F884-T893 VanDerWaalsContact CE2-O 3.31Å; F884-T893 WeakPolarHBondContact CE2-O 3.46Å
894	D	88.9	Confident	95	Very high	31 Å²	31	27 Å²	27	17%	0.166	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-1.6	177.7	73.9	-28.2	0	0	0	115.2	R872 I873 I881 S892	R872-D894 VanDerWaalsContact CA-O 3.28Å; R872-D894 WeakPolarHBondContact CA-O 3.36Å; R872-D894 WeakPolarHBondContact CD-OD2 3.46Å; R872-D894 HydrophobicContact CG-CB 4.37Å; R872-D894 WeakPolarHBondContact CG-O 3.43Å; R872-D894 WeakPolarHBondContact CG-OD2 3.32Å; R872-D894 VanDerWaalsContact CZ-CG 3.4Å; R872-D894 IonicContact CZ-OD1 3.24Å; R872-D894 IonicContact CZ-OD2 2.78Å; R872-D894 IonicContact NE-OD1 2.61Å; R872-D894 IonicContact NE-OD2 3.63Å; R872-D894 PolarHBondContact NE-OD2 3.12Å; R872-D894 VanDerWaalsContact NH1-CG 3.26Å; R872-D894 IonicContact NH1-OD1 2.77Å; R872-D894 PolarHBondContact NH1-OD1 2.95Å; R872-D894 VanDerWaalsContact NH1-OD1 3.08Å; R872-D894 IonicContact NH1-OD2 3.94Å; R872-D894 PolarHBondContact NH1-OD2 3.09Å; R872-D894 IonicContact NH2-OD1 2.81Å; R872-D894 PolarHBondContact NH2-OD1 2.98Å; I873-D894 PolarHBondContact N-O 3.44Å; I881-D894 HydrophobicContact CD1-CB 3.96Å; S892-D894 PolarHBondContact O-N 2.88Å; S892-D894 PolarHBondContact OG-OD1 2.85Å
895	L	93.4	Very high	95	Very high	33 Å²	33	26.6 Å²	26.6	17%	0.173	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.6	-168.9	-176.6	68.5	0	0	0	113.2	V870 R872 R891 S892	V870-L895 HydrophobicContact CB-CD1 3.98Å; V870-L895 HydrophobicContact CG2-CD1 4.37Å; R872-L895 HydrophobicContact CB-CD1 3.95Å; R891-L895 HydrophobicContact CB-CB 4.46Å; R891-L895 HydrophobicContact CB-CD2 3.88Å; R891-L895 HydrophobicContact CB-CG 4.15Å; R891-L895 PolarHBondContact N-O 2.85Å; S892-L895 PolarHBondContact N-O 2.95Å; S892-L895 PolarHBondContact O-N 2.89Å; S892-L895 WeakPolarHBondContact OG-CB 3.35Å
896	L	96.2	Very high	94.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.5	172.4	-57	-176.7	0	0	0	111.3	V870 M871 F884 F888 V890 L898	V870-L896 CarbonylContact C-O 3.54Å; V870-L896 WeakPolarHBondContact CA-O 3.32Å; M871-L896 HydrophobicContact CE-CD1 3.89Å; M871-L896 PolarHBondContact N-O 3.04Å; M871-L896 PolarHBondContact O-N 3.01Å; F884-L896 HydrophobicContact CB-CD2 4.24Å; F884-L896 HydrophobicContact CD1-CD1 3.74Å; F884-L896 HydrophobicContact CD1-CD2 3.94Å; F884-L896 HydrophobicContact CD1-CG 4.03Å; F884-L896 HydrophobicContact CD2-CD2 3.78Å; F884-L896 HydrophobicContact CE1-CD1 3.93Å; F884-L896 HydrophobicContact CE1-CD2 4.12Å; F884-L896 HydrophobicContact CE1-CG 3.92Å; F884-L896 HydrophobicContact CE2-CD2 3.95Å; F884-L896 HydrophobicContact CE2-CG 4.48Å; F884-L896 HydrophobicContact CG-CD1 4.32Å; F884-L896 HydrophobicContact CG-CD2 3.76Å; F884-L896 HydrophobicContact CG-CG 4.37Å; F884-L896 HydrophobicContact CZ-CD2 4.12Å; F884-L896 HydrophobicContact CZ-CG 4.15Å; F888-L896 HydrophobicContact CB-CB 4.25Å; F888-L896 HydrophobicContact CB-CD1 4.38Å; F888-L896 HydrophobicContact CB-CD2 4.31Å; F888-L896 HydrophobicContact CD1-CD1 3.66Å; F888-L896 HydrophobicContact CD1-CD2 4.13Å; F888-L896 HydrophobicContact CD1-CG 4.44Å; F888-L896 HydrophobicContact CD2-CD2 3.7Å; F888-L896 HydrophobicContact CE1-CD1 4.11Å; F888-L896 HydrophobicContact CE1-CD2 4.42Å; F888-L896 HydrophobicContact CE2-CD2 4.07Å; F888-L896 HydrophobicContact CG-CD1 4Å; F888-L896 HydrophobicContact CG-CD2 3.77Å; F888-L896 HydrophobicContact CG-CG 4.32Å; F888-L896 HydrophobicContact CZ-CD2 4.43Å; V890-L896 HydrophobicContact CG2-CD2 3.96Å; L896-L898 HydrophobicContact CB-CG 4.47Å
897	S	97.1	Very high	94.9	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	122	165.7	-170.4	0	0	0	0	108.8	F889 R891	F889-S897 PolarHBondContact N-O 3Å; F889-S897 VanDerWaalsContact N-O 3.09Å; F889-S897 WeakPolarHBondContact O-CA 3.35Å; F889-S897 WeakPolarHBondContact O-CB 3.21Å; F889-S897 PolarHBondContact O-N 3.3Å; R891-S897 PolarHBondContact NE-OG 3.07Å
898	L	97.7	Very high	94.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	84.8	-177	-63.6	175.9	0	0	0	107.8	A832 A869 M871 F888 L896 N900 V901 F907 L929	A832-L898 HydrophobicContact CB-CB 4.29Å; A832-L898 HydrophobicContact CB-CD2 3.73Å; A869-L898 CarbonylContact C-O 3.5Å; A869-L898 WeakPolarHBondContact CA-O 3.35Å; A869-L898 HydrophobicContact CB-CB 4.06Å; A869-L898 VanDerWaalsContact CB-O 3.28Å; A869-L898 WeakPolarHBondContact CB-O 3.46Å; A869-L898 PolarHBondContact N-O 3.36Å; A869-L898 CarbonylContact O-C 3.52Å; A869-L898 WeakPolarHBondContact O-CA 3.39Å; A869-L898 PolarHBondContact O-N 3.46Å; M871-L898 HydrophobicContact CB-CD1 3.82Å; F888-L898 HydrophobicContact CB-CD2 3.73Å; L896-L898 HydrophobicContact CB-CG 4.47Å; L898-N900 CarbonylContact C-O 3.01Å; L898-N900 PolarHBondContact O-N 3.25Å; L898-N900 VanDerWaalsContact O-N 3.14Å; L898-V901 HydrophobicContact CD1-CG2 4.4Å; L898-F907 HydrophobicContact CD1-CZ 4.18Å; L898-F907 HydrophobicContact CD2-CE1 3.91Å; L898-F907 HydrophobicContact CD2-CZ 3.81Å; L898-L929 HydrophobicContact CD1-CD1 3.88Å
899	A	97.4	Very high	95	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	-38	-174.3	0	0	0	0	0	111.7	I807 S831 E868	I807-A899 VanDerWaalsContact C-CB 3.46Å; I807-A899 WeakPolarHBondContact O-CB 3.38Å; S831-A899 WeakPolarHBondContact O-CB 3.32Å; E868-A899 PolarHBondContact N-O 3.15Å
900	N	97.2	Very high	95.2	Very high	7 Å²	7	25 Å²	25	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.5	156.1	-53.3	157.6	0	0	0	110.5	G753 R754 G808 V865 G866 L898	G753-N900 PolarHBondContact O-ND2 3.27Å; G753-N900 PolarHBondContact O-OD1 3.3Å; R754-N900 WeakPolarHBondContact CA-OD1 3.4Å; R754-N900 VanDerWaalsContact CB-OD1 3.24Å; R754-N900 WeakPolarHBondContact CB-OD1 3.29Å; R754-N900 WeakPolarHBondContact CG-OD1 3.46Å; G808-N900 WeakPolarHBondContact CA-OD1 3.48Å; V865-N900 HydrophobicContact CG2-CB 4.33Å; G866-N900 CarbonylContact O-C 3.58Å; G866-N900 VanDerWaalsContact O-CA 3.29Å; G866-N900 WeakPolarHBondContact O-CA 3.18Å; L898-N900 CarbonylContact C-O 3.01Å; L898-N900 PolarHBondContact O-N 3.25Å; L898-N900 VanDerWaalsContact O-N 3.14Å
901	V	97.8	Very high	95.4	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.03	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.5	166.9	65	0	0	0	0	109.7	F535 G866 A869 L898 L929	F535-V901 HydrophobicContact CB-CG2 3.71Å; F535-V901 HydrophobicContact CD1-CG1 4.07Å; F535-V901 HydrophobicContact CD1-CG2 4.19Å; F535-V901 HydrophobicContact CE1-CG1 4.33Å; F535-V901 HydrophobicContact CG-CG1 4.25Å; F535-V901 HydrophobicContact CG-CG2 4.1Å; G866-V901 PolarHBondContact N-O 3.3Å; G866-V901 PolarHBondContact O-N 3.46Å; A869-V901 HydrophobicContact CB-CB 4.36Å; A869-V901 HydrophobicContact CB-CG1 3.9Å; L898-V901 HydrophobicContact CD1-CG2 4.4Å; V901-L929 HydrophobicContact CG1-CD1 4.38Å; V901-L929 HydrophobicContact CG1-CD2 4.31Å; V901-L929 HydrophobicContact CG2-CD1 4.37Å; V901-L929 HydrophobicContact CG2-CD2 4.13Å
902	N	96.9	Very high	95.9	Very high	10 Å²	10	17.8 Å²	17.8	5%	0.053	11%	0.106	C	C	.	.			trans	-125.9	157.7	-174.9	75.1	74.7	0	0	0	110.5	R863 D904 S905	R863-N902 PolarHBondContact NH1-OD1 3.35Å; N902-D904 PolarHBondContact O-N 3.17Å; N902-D904 PolarHBondContact OD1-N 3.32Å; N902-S905 PolarHBondContact ND2-OG 3.43Å; N902-S905 PolarHBondContact OD1-N 3.01Å; N902-S905 PolarHBondContact OD1-OG 2.84Å
903	P	97.1	Very high	96.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.094	C	C	.	.	S	Bend	trans	-75.1	-3.7	-172.5	29.9	-38.4	0	0	0	114.8	H533 F535 R536 R863 K864	H533-P903 PolarHBondContact NE2-O 2.88Å; F535-P903 VanDerWaalsContact O-CA 3.29Å; F535-P903 WeakPolarHBondContact O-CA 3.4Å; F535-P903 WeakPolarHBondContact O-CB 3.5Å; R536-P903 WeakPolarHBondContact CA-O 3.29Å; R863-P903 HydrophobicContact CB-CG 3.9Å; R863-P903 HydrophobicContact CG-CG 4.44Å; K864-P903 HydrophobicContact CG-CB 4.2Å; K864-P903 HydrophobicContact CG-CG 4.03Å; K864-P903 WeakPolarHBondContact O-CD 3.39Å
904	D	95.9	Very high	96.7	Very high	11 Å²	11	17.6 Å²	17.6	6%	0.059	9%	0.092	C	C	.	.	S	Bend	trans	-106.9	-23.4	-172	-46.8	-44.7	0	0	0	111.5	R859 R863 N902 P1056 A1169 F1170	R859-D904 IonicContact CZ-OD1 3.32Å; R859-D904 IonicContact NE-OD1 2.78Å; R859-D904 PolarHBondContact NE-OD1 3.35Å; R859-D904 IonicContact NE-OD2 3.02Å; R859-D904 IonicContact NH2-OD1 2.7Å; R859-D904 PolarHBondContact NH2-OD1 2.82Å; R859-D904 IonicContact NH2-OD2 2.75Å; R863-D904 WeakPolarHBondContact CD-OD2 3.16Å; R863-D904 IonicContact CZ-OD2 3.91Å; R863-D904 IonicContact NE-OD2 2.7Å; R863-D904 IonicContact NH1-OD2 3.15Å; R863-D904 PolarHBondContact NH1-OD2 3.33Å; N902-D904 PolarHBondContact O-N 3.17Å; N902-D904 PolarHBondContact OD1-N 3.32Å; D904-P1056 VanDerWaalsContact O-CD 3.23Å; D904-P1056 WeakPolarHBondContact O-CD 3.38Å; D904-P1056 WeakPolarHBondContact O-CG 3.48Å; D904-A1169 VanDerWaalsContact OD1-CB 3.24Å; D904-A1169 WeakPolarHBondContact OD1-CB 3.5Å; D904-F1170 HydrophobicContact CB-CE2 3.87Å
905	S	95.9	Very high	97	Very high	16 Å²	16	19.6 Å²	19.6	11%	0.112	10%	0.103	C	C	.	.			trans	-76.7	131.7	176.7	-63.2	0	0	0	0	113.5	H533 N902 T1054	H533-S905 PolarHBondContact CD2-O 3.37Å; N902-S905 PolarHBondContact ND2-OG 3.43Å; N902-S905 PolarHBondContact OD1-N 3.01Å; N902-S905 PolarHBondContact OD1-OG 2.84Å; S905-T1054 WeakPolarHBondContact CA-O 3.35Å
906	A	96.7	Very high	97.2	Very high	10 Å²	10	21 Å²	21	8%	0.083	12%	0.116	C	C	.	.			trans	-110	169.7	168.3	0	0	0	0	0	111.7	L532 H533 T1054 P1056	L532-A906 CarbonylContact O-C 3.5Å; L532-A906 WeakPolarHBondContact O-CA 3.45Å; L532-A906 VanDerWaalsContact O-CB 3.31Å; L532-A906 WeakPolarHBondContact O-CB 3.45Å; H533-A906 HydrophobicContact CB-CB 4.38Å; A906-T1054 PolarHBondContact N-O 3.31Å; A906-P1056 HydrophobicContact CB-CB 4.25Å; A906-P1056 HydrophobicContact CB-CG 4.24Å
907	F	98.2	Very high	97.2	Very high	13 Å²	13	21.3 Å²	21.3	6%	0.057	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.5	-179.4	-53.6	-87.7	0	0	0	109.8	L532 P534 M871 F888 L898	L532-F907 PolarHBondContact N-O 3.23Å; L532-F907 PolarHBondContact O-N 3.11Å; P534-F907 HydrophobicContact CG-CD2 3.97Å; P534-F907 HydrophobicContact CG-CE2 3.87Å; M871-F907 HydrophobicContact CE-CB 4.41Å; M871-F907 HydrophobicContact CE-CD2 3.72Å; M871-F907 HydrophobicContact CE-CE2 4.11Å; M871-F907 HydrophobicContact CE-CG 3.98Å; F888-F907 AromaticContact CD1-CD1 3.8Å; F888-F907 HydrophobicContact CD1-CD1 3.8Å; F888-F907 AromaticContact CD1-CE1 3.94Å; F888-F907 HydrophobicContact CD1-CE1 3.94Å; F888-F907 HydrophobicContact CE1-CD1 4.17Å; L898-F907 HydrophobicContact CD1-CZ 4.18Å; L898-F907 HydrophobicContact CD2-CE1 3.91Å; L898-F907 HydrophobicContact CD2-CZ 3.81Å
908	A	98.4	Very high	97	Very high	3 Å²	3	24 Å²	24	3%	0.025	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	151.4	170.2	0	0	0	0	0	110.6	L530 L531 H885 L968	L530-A908 CarbonylContact O-C 3.51Å; L530-A908 WeakPolarHBondContact O-CA 3.32Å; L531-A908 HydrophobicContact CG-CB 4.47Å; H885-A908 HydrophobicContact CB-CB 4.33Å; H885-A908 PolarHBondContact N-O 3.33Å; H885-A908 PolarHBondContact O-N 3.05Å; A908-L968 HydrophobicContact CB-CD1 4.39Å
909	V	98.1	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122.1	-176.4	-166.1	0	0	0	0	110	G529 L530 L532 I873 I881 T883 F884 M911	G529-V909 CarbonylContact C-O 3.59Å; G529-V909 WeakPolarHBondContact CA-O 3.23Å; L530-V909 HydrophobicContact CB-CB 4.27Å; L530-V909 PolarHBondContact N-O 2.96Å; L530-V909 PolarHBondContact O-N 2.86Å; L532-V909 HydrophobicContact CD1-CG2 3.73Å; I873-V909 HydrophobicContact CD1-CG2 3.83Å; I881-V909 HydrophobicContact CG1-CG1 4.45Å; I881-V909 HydrophobicContact CG2-CG1 3.66Å; T883-V909 CarbonylContact O-C 3.57Å; T883-V909 VanDerWaalsContact O-CA 3.29Å; T883-V909 WeakPolarHBondContact O-CA 3.34Å; T883-V909 WeakPolarHBondContact O-CG1 3.47Å; F884-V909 HydrophobicContact CD1-CB 4.47Å; F884-V909 HydrophobicContact CD1-CG1 3.98Å; F884-V909 HydrophobicContact CD1-CG2 3.73Å; F884-V909 HydrophobicContact CE1-CG1 4.19Å; F884-V909 HydrophobicContact CE1-CG2 4.13Å; F884-V909 HydrophobicContact CG-CG1 4.5Å; V909-M911 HydrophobicContact CG1-SD 3.88Å
910	Q	98.1	Very high	96.2	Very high	43 Å²	43	32.7 Å²	32.7	20%	0.201	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.9	168.4	-171.6	-177.6	-9.3	0	0	109.5	H882 T883	H882-Q910 HydrophobicContact CB-CB 4.32Å; H882-Q910 HydrophobicContact CB-CG 4.19Å; H882-Q910 WeakPolarHBondContact CB-O 3.27Å; H882-Q910 PolarHBondContact N-O 3.06Å; H882-Q910 PolarHBondContact ND1-OE1 3.1Å; T883-Q910 PolarHBondContact N-O 3.17Å; T883-Q910 PolarHBondContact O-N 2.88Å
911	M	98	Very high	96.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	156.6	-178.8	-59	-62.4	-68.8	0	0	111.2	L528 L530 C875 S880 I881 V909 F925	L528-M911 HydrophobicContact CD2-CB 4.07Å; L528-M911 HydrophobicContact CG-CB 4.03Å; L528-M911 PolarHBondContact O-N 3.3Å; L530-M911 HydrophobicContact CD1-CE 4.33Å; L530-M911 HydrophobicContact CD1-CG 4.06Å; L530-M911 HydrophobicContact CD1-SD 3.82Å; L530-M911 HydrophobicContact CG-CG 3.95Å; L530-M911 HydrophobicContact CG-SD 4.35Å; C875-M911 HydrophobicContact CB-CE 3.98Å; S880-M911 WeakPolarHBondContact O-CA 3.47Å; S880-M911 WeakPolarHBondContact O-CE 3.21Å; I881-M911 HydrophobicContact CB-SD 4.31Å; I881-M911 HydrophobicContact CG1-CE 3.79Å; I881-M911 HydrophobicContact CG1-SD 3.68Å; V909-M911 HydrophobicContact CG1-SD 3.88Å; M911-F925 HydrophobicContact CE-CD1 4.22Å; M911-F925 HydrophobicContact CE-CE1 3.92Å
912	S	97	Very high	96	Very high	22 Å²	22	39 Å²	39	15%	0.154	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.9	177.7	26	0	0	0	0	111.1	L879 S880	L879-S912 WeakPolarHBondContact CA-O 2.95Å; S880-S912 PolarHBondContact N-O 2.86Å; S880-S912 PolarHBondContact O-N 2.9Å; S880-S912 PolarHBondContact OG-OG 2.86Å
913	I	98.3	Very high	96.1	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.7	171.7	-58.1	161.3	0	0	0	107.3	P515 Q518 L521 L528 G878 L879 D915	P515-I913 HydrophobicContact CB-CD1 4.12Å; P515-I913 VanDerWaalsContact O-CD1 3.27Å; P515-I913 WeakPolarHBondContact O-CD1 3.43Å; Q518-I913 HydrophobicContact CB-CB 4.1Å; Q518-I913 WeakPolarHBondContact CB-O 3.49Å; Q518-I913 PolarHBondContact OE1-O 2.86Å; L521-I913 HydrophobicContact CB-CD1 4.08Å; L521-I913 HydrophobicContact CD2-CD1 3.87Å; L521-I913 HydrophobicContact CD2-CG1 4.37Å; L528-I913 HydrophobicContact CD2-CD1 4.36Å; L528-I913 HydrophobicContact CD2-CG1 4.13Å; G878-I913 CarbonylContact O-C 3.48Å; G878-I913 WeakPolarHBondContact O-CA 3.44Å; L879-I913 HydrophobicContact CD2-CG1 3.9Å; I913-D915 WeakPolarHBondContact CG2-O 3.3Å
914	E	96.1	Very high	96.2	Very high	145 Å²	145	38.7 Å²	38.7	68%	0.678	23%	0.227	S	C	*	.			trans	-97.5	-50.2	179.9	-74.2	170.7	-170	0	0	111.4	G878 S880	G878-E914 PolarHBondContact O-N 2.95Å; S880-E914 VanDerWaalsContact CB-CD 3.42Å; S880-E914 WeakPolarHBondContact CB-OE1 3.17Å; S880-E914 PolarHBondContact OG-OE1 3.28Å
915	D	96.3	Very high	96.3	Very high	73 Å²	73	38.2 Å²	38.2	39%	0.39	23%	0.225	S	C	.	.	S	Bend	trans	-100	154.1	170.2	-57	-63.9	0	0	0	110.9	K877 G878 I913 L917	K877-D915 VanDerWaalsContact NZ-CG 3.28Å; K877-D915 IonicContact NZ-OD1 3.58Å; K877-D915 IonicContact NZ-OD2 2.7Å; K877-D915 PolarHBondContact NZ-OD2 3.45Å; G878-D915 PolarHBondContact O-N 3.04Å; I913-D915 WeakPolarHBondContact CG2-O 3.3Å; D915-L917 PolarHBondContact O-N 3.31Å
916	S	96.4	Very high	96.4	Very high	64 Å²	64	37.4 Å²	37.4	45%	0.448	22%	0.219	S	C	.	.			trans	-60.6	134.4	165.5	-177.3	0	0	0	0	111.3	A918	S916-A918 PolarHBondContact O-N 3.01Å; S916-A918 WeakPolarHBondContact OG-CB 3.22Å; S916-A918 PolarHBondContact OG-N 3.46Å
917	L	96.9	Very high	96.5	Very high	6 Å²	6	37 Å²	37	3%	0.031	22%	0.216	C	C	.	.			trans	-86.2	13.1	176.9	-56.5	179	0	0	0	112.9	I514 Q516 K877 L879 D915 D919 S920 V949	I514-L917 HydrophobicContact CG2-CD1 3.67Å; Q516-L917 PolarHBondContact O-N 3.23Å; K877-L917 VanDerWaalsContact O-CD2 3.29Å; K877-L917 WeakPolarHBondContact O-CD2 3.23Å; L879-L917 HydrophobicContact CD1-CD1 4.31Å; L879-L917 HydrophobicContact CD2-CD1 4.32Å; L879-L917 HydrophobicContact CG-CD1 4.16Å; L879-L917 HydrophobicContact CG-CD2 4.3Å; D915-L917 PolarHBondContact O-N 3.31Å; L917-D919 PolarHBondContact O-N 2.87Å; L917-D919 VanDerWaalsContact O-N 3.09Å; L917-S920 PolarHBondContact O-N 2.7Å; L917-V949 HydrophobicContact CB-CG1 3.87Å; L917-V949 HydrophobicContact CB-CG2 4.38Å; L917-V949 HydrophobicContact CD1-CG1 4.46Å; L917-V949 HydrophobicContact CD1-CG2 4.23Å
918	A	93.1	Very high	96.5	Very high	58 Å²	58	36.7 Å²	36.7	48%	0.479	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.6	-173.4	0	0	0	0	0	115	Q516 S916 S920	Q516-A918 HydrophobicContact CG-CB 4.26Å; S916-A918 PolarHBondContact O-N 3.01Å; S916-A918 WeakPolarHBondContact OG-CB 3.22Å; S916-A918 PolarHBondContact OG-N 3.46Å; A918-S920 PolarHBondContact O-N 2.91Å
919	D	88.1	Confident	96.5	Very high	158 Å²	158	36.6 Å²	36.6	85%	0.845	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.8	178.2	-61.5	-28	0	0	0	114.1	L917	L917-D919 PolarHBondContact O-N 2.87Å; L917-D919 VanDerWaalsContact O-N 3.09Å
920	S	89.6	Confident	96.6	Very high	26 Å²	26	37.9 Å²	37.9	18%	0.182	22%	0.221	C	C	.	.			trans	-144.2	135	179.2	-174.1	0	0	0	0	113.1	Y577 L917 A918 L922 V949	Y577-S920 VanDerWaalsContact OH-CB 3.22Å; Y577-S920 WeakPolarHBondContact OH-CB 3.41Å; L917-S920 PolarHBondContact O-N 2.7Å; A918-S920 PolarHBondContact O-N 2.91Å; S920-L922 VanDerWaalsContact C-N 3.26Å; S920-L922 PolarHBondContact O-N 2.71Å; S920-L922 PolarHBondContact OG-N 2.83Å; S920-L922 VanDerWaalsContact OG-N 3.12Å; S920-L922 PolarHBondContact OG-O 3.17Å; S920-V949 WeakPolarHBondContact O-CB 3.22Å
921	S	94.2	Very high	96.6	Very high	93 Å²	93	36.1 Å²	36.1	65%	0.65	21%	0.213	S	C	*	.	S	Bend	trans	-78.8	-6.5	169.4	54.5	0	0	0	0	113.8	V949	S921-V949 PolarHBondContact O-N 2.66Å
922	L	97.3	Very high	96.6	Very high	52 Å²	52	35.8 Å²	35.8	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139	-176.9	-63.3	178	0	0	0	111.8	L493 L497 S920 L947	L493-L922 HydrophobicContact CD2-CD2 3.48Å; L493-L922 VanDerWaalsContact CD2-CD2 3.48Å; L497-L922 HydrophobicContact CD1-CD1 4.01Å; S920-L922 VanDerWaalsContact C-N 3.26Å; S920-L922 PolarHBondContact O-N 2.71Å; S920-L922 PolarHBondContact OG-N 2.83Å; S920-L922 VanDerWaalsContact OG-N 3.12Å; S920-L922 PolarHBondContact OG-O 3.17Å; L922-L947 WeakPolarHBondContact CA-O 3.37Å
923	A	98.1	Very high	96.6	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.9	170.7	0	0	0	0	0	109.6	I514 L879 F925 L947 V949	I514-A923 HydrophobicContact CB-CB 4.25Å; I514-A923 HydrophobicContact CG1-CB 4.03Å; I514-A923 HydrophobicContact CG2-CB 4.18Å; L879-A923 HydrophobicContact CD1-CB 3.99Å; A923-F925 HydrophobicContact CB-CE2 4.43Å; A923-L947 PolarHBondContact N-O 3.06Å; A923-L947 PolarHBondContact O-N 3.32Å; A923-V949 HydrophobicContact CB-CG2 3.76Å
924	C	98.5	Very high	96.6	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.6	179.3	-73.6	0	0	0	0	111.9	N574 L575 C875 T876 L945	N574-C924 WeakPolarHBondContact ND2-CB 3.39Å; N574-C924 PolarHBondContact ND2-SG 3.05Å; L575-C924 HydrophobicContact CD1-CB 3.43Å; L575-C924 VanDerWaalsContact CD1-CB 3.43Å; L575-C924 HydrophobicContact CG-CB 4.4Å; C875-C924 CarbonylContact C-O 3.48Å; C875-C924 WeakPolarHBondContact CA-O 3.45Å; T876-C924 PolarHBondContact N-O 3.21Å; T876-C924 VanDerWaalsContact N-O 3.11Å; T876-C924 WeakPolarHBondContact OG1-CA 3.45Å; T876-C924 PolarHBondContact OG1-N 3.07Å; T876-C924 PolarHBondContact OG1-O 2.87Å; C924-L945 CarbonylContact C-O 3.54Å; C924-L945 WeakPolarHBondContact CA-O 3.33Å
925	F	98.7	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.6	174.7	-54.8	-94.9	0	0	0	108.9	F507 I514 L530 R874 C875 L879 M911 A923 T944 L945 L947	F507-F925 HydrophobicContact CE1-CB 4.19Å; F507-F925 HydrophobicContact CZ-CB 3.72Å; I514-F925 HydrophobicContact CD1-CE2 4.06Å; I514-F925 HydrophobicContact CD1-CZ 4Å; I514-F925 HydrophobicContact CG1-CE2 4.39Å; L530-F925 HydrophobicContact CD1-CB 4.45Å; L530-F925 HydrophobicContact CD1-CD1 3.65Å; L530-F925 HydrophobicContact CD1-CE1 4.19Å; L530-F925 HydrophobicContact CD1-CG 4.24Å; L530-F925 HydrophobicContact CD2-CD1 3.94Å; L530-F925 HydrophobicContact CD2-CD2 4.31Å; L530-F925 HydrophobicContact CD2-CE1 4.13Å; L530-F925 HydrophobicContact CD2-CG 4.02Å; L530-F925 HydrophobicContact CD2-CZ 4.41Å; L530-F925 HydrophobicContact CG-CD1 4.32Å; R874-F925 CarbonylContact O-C 3.52Å; R874-F925 WeakPolarHBondContact O-CA 3.27Å; C875-F925 HydrophobicContact CB-CD1 3.7Å; C875-F925 HydrophobicContact CB-CE1 4Å; L879-F925 HydrophobicContact CD1-CE1 3.84Å; L879-F925 HydrophobicContact CD1-CE2 4.41Å; L879-F925 HydrophobicContact CD1-CZ 3.62Å; L879-F925 HydrophobicContact CD2-CZ 4.46Å; M911-F925 HydrophobicContact CE-CD1 4.22Å; M911-F925 HydrophobicContact CE-CE1 3.92Å; A923-F925 HydrophobicContact CB-CE2 4.43Å; F925-T944 CarbonylContact O-C 3.58Å; F925-T944 WeakPolarHBondContact O-CA 3.5Å; F925-L945 PolarHBondContact N-O 3.43Å; F925-L945 PolarHBondContact O-N 3.42Å; F925-L947 HydrophobicContact CD2-CD1 4.43Å; F925-L947 HydrophobicContact CE2-CD1 3.98Å
926	Q	98.8	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	112.4	-179.9	-174.2	177.2	84.8	0	0	111.2	Y558 L575 I873 R874 V942 H943 T944	Y558-Q926 PolarHBondContact O-NE2 3.02Å; L575-Q926 HydrophobicContact CD2-CB 4.41Å; I873-Q926 WeakPolarHBondContact CA-O 3.22Å; R874-Q926 PolarHBondContact N-O 2.98Å; R874-Q926 PolarHBondContact O-N 3.2Å; Q926-V942 HydrophobicContact CG-CG1 3.65Å; Q926-H943 CarbonylContact C-O 3.54Å; Q926-H943 VanDerWaalsContact CA-O 3.3Å; Q926-H943 WeakPolarHBondContact CA-O 3.44Å; Q926-T944 HydrophobicContact CB-CG2 4.24Å; Q926-T944 HydrophobicContact CG-CG2 4.5Å; Q926-T944 PolarHBondContact NE2-OG1 3.26Å
927	A	98.6	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.8	169	0	0	0	0	0	109.8	F507 L532 I873 V942 H943	F507-A927 HydrophobicContact CE1-CB 4.21Å; F507-A927 HydrophobicContact CZ-CB 4.4Å; L532-A927 HydrophobicContact CD2-CB 3.51Å; I873-A927 HydrophobicContact CG1-CB 4.14Å; A927-V942 WeakPolarHBondContact O-CA 3.31Å; A927-H943 PolarHBondContact N-O 3.37Å; A927-H943 PolarHBondContact O-N 3.47Å
928	A	98.6	Very high	96.5	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.4	175	0	0	0	0	0	110.2	Y558 M871 R872 I940 R941 V942	Y558-A928 HydrophobicContact CD2-CB 3.99Å; Y558-A928 HydrophobicContact CE2-CB 3.5Å; M871-A928 WeakPolarHBondContact CA-O 3.49Å; R872-A928 PolarHBondContact N-O 3.2Å; R872-A928 PolarHBondContact O-N 3.15Å; A928-I940 HydrophobicContact CB-CG2 4.49Å; A928-R941 CarbonylContact C-O 3.55Å; A928-R941 WeakPolarHBondContact CA-O 3.41Å; A928-V942 HydrophobicContact CB-CG2 4.28Å
929	L	98.6	Very high	96.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	101.4	178.1	175.2	66.5	0	0	0	109.1	P534 F535 A869 V870 M871 L898 V901 Y931 I940 R941	P534-L929 HydrophobicContact CB-CD2 4.45Å; F535-L929 HydrophobicContact CB-CD2 3.96Å; F535-L929 HydrophobicContact CD2-CD2 3.93Å; F535-L929 HydrophobicContact CG-CD2 4.21Å; A869-L929 HydrophobicContact CB-CD1 4.2Å; V870-L929 WeakPolarHBondContact O-CA 3.37Å; M871-L929 HydrophobicContact CB-CD1 4.13Å; L898-L929 HydrophobicContact CD1-CD1 3.88Å; V901-L929 HydrophobicContact CG1-CD1 4.38Å; V901-L929 HydrophobicContact CG1-CD2 4.31Å; V901-L929 HydrophobicContact CG2-CD1 4.37Å; V901-L929 HydrophobicContact CG2-CD2 4.13Å; L929-Y931 HydrophobicContact CG-CD1 4.23Å; L929-I940 CarbonylContact O-C 3.31Å; L929-I940 WeakPolarHBondContact O-CA 3.45Å; L929-R941 HydrophobicContact CB-CB 4.43Å; L929-R941 PolarHBondContact N-O 3.38Å; L929-R941 PolarHBondContact O-N 2.83Å
930	L	98.5	Very high	97.2	Very high	26 Å²	26	28 Å²	28	14%	0.136	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.7	170.1	169.2	68.6	0	0	0	108.2	Y617 A869 V870 R938 R939 I940	Y617-L930 HydrophobicContact CD1-CD1 4.19Å; Y617-L930 HydrophobicContact CD1-CD2 4.32Å; Y617-L930 HydrophobicContact CG-CD1 4.46Å; A869-L930 CarbonylContact C-O 3.53Å; A869-L930 WeakPolarHBondContact CA-O 3.18Å; A869-L930 WeakPolarHBondContact CB-O 3.43Å; V870-L930 HydrophobicContact CG2-CB 3.94Å; V870-L930 HydrophobicContact CG2-CD2 4.01Å; V870-L930 HydrophobicContact CG2-CG 4.35Å; V870-L930 PolarHBondContact N-O 3.49Å; V870-L930 PolarHBondContact O-N 3.09Å; L930-R938 HydrophobicContact CD1-CG 3.84Å; L930-R939 CarbonylContact C-O 3.55Å; L930-R939 WeakPolarHBondContact CA-O 3.5Å; L930-I940 HydrophobicContact CB-CG1 4.33Å; L930-I940 HydrophobicContact CD1-CD1 4.41Å; L930-I940 HydrophobicContact CD1-CG1 3.56Å
931	Y	98.5	Very high	97.6	Very high	6 Å²	6	27.2 Å²	27.2	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.5	-177.9	73.4	-79.6	0	0	0	112.8	F535 E610 L929 R938 R939 R941	F535-Y931 HydrophobicContact CE2-CD2 4.34Å; F535-Y931 HydrophobicContact CE2-CE1 4Å; F535-Y931 AromaticContact CE2-CE2 3.7Å; F535-Y931 HydrophobicContact CE2-CE2 3.7Å; F535-Y931 AromaticContact CE2-CZ 3.51Å; F535-Y931 HydrophobicContact CZ-CD2 4.38Å; F535-Y931 AromaticContact CZ-CE2 3.81Å; F535-Y931 HydrophobicContact CZ-CE2 3.81Å; E610-Y931 VanDerWaalsContact CD-OH 3.24Å; E610-Y931 PolarHBondContact OE1-OH 2.81Å; E610-Y931 PolarHBondContact OE2-OH 2.98Å; E610-Y931 VanDerWaalsContact OE2-OH 3.1Å; L929-Y931 HydrophobicContact CG-CD1 4.23Å; Y931-R938 CarbonylContact O-C 3.56Å; Y931-R938 WeakPolarHBondContact O-CA 3.34Å; Y931-R939 HydrophobicContact CD1-CB 4.27Å; Y931-R939 HydrophobicContact CE1-CB 3.72Å; Y931-R939 PolarHBondContact N-O 3.18Å; Y931-R939 PolarHBondContact O-N 2.82Å; Y931-R941 HydrophobicContact CE1-CB 4.46Å
932	T	98.4	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.3	168.4	-68.7	0	0	0	0	108.9	P622 Q623 G866 F867 E868 R938	P622-T932 HydrophobicContact CB-CG2 3.72Å; Q623-T932 HydrophobicContact CG-CG2 4.41Å; G866-T932 CarbonylContact C-O 3.51Å; G866-T932 WeakPolarHBondContact CA-O 3.37Å; F867-T932 PolarHBondContact N-O 3.3Å; F867-T932 PolarHBondContact O-N 3.04Å; E868-T932 WeakPolarHBondContact CG-OG1 3.49Å; E868-T932 VanDerWaalsContact OE1-CB 3.28Å; E868-T932 WeakPolarHBondContact OE1-CB 3.45Å; E868-T932 PolarHBondContact OE1-OG1 3.23Å; T932-R938 VanDerWaalsContact N-NH1 3.12Å; T932-R938 VanDerWaalsContact OG1-CD 3.27Å; T932-R938 WeakPolarHBondContact OG1-CD 3.36Å; T932-R938 PolarHBondContact OG1-NH1 2.83Å
933	S	97.8	Very high	97.9	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.063	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	153.3	174.5	60.6	0	0	0	0	111.6	K935 G936 K937	S933-K935 PolarHBondContact O-N 3.35Å; S933-G936 PolarHBondContact O-N 2.92Å; S933-K937 PolarHBondContact N-O 3.01Å; S933-K937 PolarHBondContact OG-N 3.44Å; S933-K937 PolarHBondContact OG-O 2.77Å
934	S	96.7	Very high	97.9	Very high	17 Å²	17	20.7 Å²	20.7	12%	0.119	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-9.4	174.9	51.7	0	0	0	0	116.5	P658 G659 D660	P658-S934 WeakPolarHBondContact O-CB 3.45Å; G659-S934 CarbonylContact C-O 3.55Å; D660-S934 PolarHBondContact N-O 2.89Å
935	K	96.4	Very high	97.9	Very high	128 Å²	128	20.8 Å²	20.8	56%	0.557	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.6	27.1	174.1	-54	-65.2	-175.9	177	0	112.7	G659 D660 S933 K937	G659-K935 VanDerWaalsContact O-CD 3.26Å; G659-K935 WeakPolarHBondContact O-CD 3.36Å; G659-K935 VanDerWaalsContact O-CE 3.3Å; G659-K935 WeakPolarHBondContact O-CE 3.19Å; G659-K935 PolarHBondContact O-NZ 3.42Å; D660-K935 HydrophobicContact CB-CD 4.32Å; S933-K935 PolarHBondContact O-N 3.35Å; K935-K937 VanDerWaalsContact C-N 3.26Å; K935-K937 PolarHBondContact O-N 3.16Å; K935-K937 VanDerWaalsContact O-N 3.15Å
936	G	95.1	Very high	97.9	Very high	21 Å²	21	20.8 Å²	20.8	22%	0.216	10%	0.1	C	C	.	.	S	Bend	trans	67.4	13.8	175.5	0	0	0	0	0	116.4	P622 D660 S933	P622-G936 VanDerWaalsContact CB-O 3.32Å; P622-G936 WeakPolarHBondContact CB-O 3.35Å; D660-G936 PolarHBondContact OD2-N 3.23Å; S933-G936 PolarHBondContact O-N 2.92Å
937	K	95.5	Very high	97.9	Very high	111 Å²	111	20.9 Å²	20.9	48%	0.483	10%	0.101	S	C	.	.			trans	-103.4	127.2	179.3	-61.3	-169.2	179.4	-171.2	0	111.3	S933 K935	S933-K937 PolarHBondContact N-O 3.01Å; S933-K937 PolarHBondContact OG-N 3.44Å; S933-K937 PolarHBondContact OG-O 2.77Å; K935-K937 VanDerWaalsContact C-N 3.26Å; K935-K937 PolarHBondContact O-N 3.16Å; K935-K937 VanDerWaalsContact O-N 3.15Å
938	R	97.3	Very high	97.9	Very high	27 Å²	27	21.5 Å²	21.5	10%	0.102	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.3	167	-157.1	73.5	174.4	147.2	-0.5	109.3	A613 Y617 M618 P622 E868 L930 Y931 T932	A613-R938 HydrophobicContact CB-CB 4.2Å; A613-R938 HydrophobicContact CB-CG 4.11Å; A613-R938 PolarHBondContact N-O 2.87Å; Y617-R938 PolarHBondContact O-NE 3.35Å; M618-R938 HydrophobicContact CE-CB 3.84Å; M618-R938 HydrophobicContact CG-CB 4.19Å; M618-R938 HydrophobicContact CG-CG 4.08Å; M618-R938 HydrophobicContact SD-CB 4.36Å; P622-R938 HydrophobicContact CG-CB 4.49Å; E868-R938 PolarHBondContact O-NH1 3.04Å; E868-R938 PolarHBondContact O-NH2 3.38Å; L930-R938 HydrophobicContact CD1-CG 3.84Å; Y931-R938 CarbonylContact O-C 3.56Å; Y931-R938 WeakPolarHBondContact O-CA 3.34Å; T932-R938 VanDerWaalsContact N-NH1 3.12Å; T932-R938 VanDerWaalsContact OG1-CD 3.27Å; T932-R938 WeakPolarHBondContact OG1-CD 3.36Å; T932-R938 PolarHBondContact OG1-NH1 2.83Å
939	R	97.7	Very high	97.9	Very high	57 Å²	57	22.1 Å²	22.1	22%	0.215	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.7	-178.9	-60.5	-165.5	-166.3	-163.3	-0.8	111.5	E610 F611 L930 Y931	E610-R939 HydrophobicContact CG-CB 4.2Å; E610-R939 WeakPolarHBondContact OE1-CD 3.39Å; E610-R939 IonicContact OE1-CZ 3.52Å; E610-R939 IonicContact OE1-NE 3.49Å; E610-R939 IonicContact OE1-NH1 2.75Å; E610-R939 PolarHBondContact OE1-NH1 3.44Å; F611-R939 CarbonylContact O-C 3.55Å; F611-R939 WeakPolarHBondContact O-CA 3.28Å; F611-R939 WeakPolarHBondContact O-CB 3.5Å; L930-R939 CarbonylContact C-O 3.55Å; L930-R939 WeakPolarHBondContact CA-O 3.5Å; Y931-R939 HydrophobicContact CD1-CB 4.27Å; Y931-R939 HydrophobicContact CE1-CB 3.72Å; Y931-R939 PolarHBondContact N-O 3.18Å; Y931-R939 PolarHBondContact O-N 2.82Å
940	I	98.4	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	108.1	174	-54.7	151.5	0	0	0	108.1	I549 Y558 E610 F611 A613 Y617 A928 L929 L930 V942	I549-I940 HydrophobicContact CD1-CD1 3.87Å; Y558-I940 HydrophobicContact CE1-CD1 4.22Å; Y558-I940 HydrophobicContact CE1-CG2 4.14Å; Y558-I940 HydrophobicContact CE2-CG2 4.36Å; E610-I940 CarbonylContact C-O 3.58Å; E610-I940 WeakPolarHBondContact CA-O 3.47Å; F611-I940 HydrophobicContact CB-CB 4.34Å; F611-I940 HydrophobicContact CD2-CB 4.42Å; F611-I940 PolarHBondContact N-O 2.7Å; F611-I940 PolarHBondContact O-N 2.75Å; A613-I940 HydrophobicContact CB-CD1 3.84Å; A613-I940 HydrophobicContact CB-CG1 4.1Å; Y617-I940 HydrophobicContact CD1-CD1 3.61Å; Y617-I940 HydrophobicContact CD1-CG1 4.32Å; Y617-I940 HydrophobicContact CD2-CD1 4.36Å; Y617-I940 HydrophobicContact CE1-CD1 3.37Å; Y617-I940 HydrophobicContact CE1-CG1 4.39Å; Y617-I940 HydrophobicContact CE2-CD1 4.18Å; Y617-I940 HydrophobicContact CG-CD1 4.08Å; A928-I940 HydrophobicContact CB-CG2 4.49Å; L929-I940 CarbonylContact O-C 3.31Å; L929-I940 WeakPolarHBondContact O-CA 3.45Å; L930-I940 HydrophobicContact CB-CG1 4.33Å; L930-I940 HydrophobicContact CD1-CD1 4.41Å; L930-I940 HydrophobicContact CD1-CG1 3.56Å; I940-V942 HydrophobicContact CG2-CG2 3.84Å
941	R	98.6	Very high	97.8	Very high	11 Å²	11	25.4 Å²	25.4	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.2	169.4	-172.2	179.2	-69	-156.7	-7.8	109.2	P534 R536 L541 V609 E610 A928 L929 Y931 H943	P534-R941 WeakPolarHBondContact O-CD 3.18Å; P534-R941 PolarHBondContact O-NH1 3.14Å; R536-R941 PolarHBondContact O-NH1 3.49Å; R536-R941 VanDerWaalsContact O-NH1 3.16Å; L541-R941 VanDerWaalsContact CD2-NH2 3.31Å; V609-R941 WeakPolarHBondContact O-CA 3.49Å; E610-R941 HydrophobicContact CG-CB 4.23Å; E610-R941 IonicContact OE2-CZ 2.67Å; E610-R941 VanDerWaalsContact OE2-CZ 3.24Å; E610-R941 IonicContact OE2-NE 2.76Å; E610-R941 PolarHBondContact OE2-NE 3.01Å; E610-R941 IonicContact OE2-NH2 3.71Å; E610-R941 PolarHBondContact OE2-NH2 2.88Å; A928-R941 CarbonylContact C-O 3.55Å; A928-R941 WeakPolarHBondContact CA-O 3.41Å; L929-R941 HydrophobicContact CB-CB 4.43Å; L929-R941 PolarHBondContact N-O 3.38Å; L929-R941 PolarHBondContact O-N 2.83Å; Y931-R941 HydrophobicContact CE1-CB 4.46Å; R941-H943 VanDerWaalsContact CD-NE2 3.29Å; R941-H943 WeakPolarHBondContact CD-NE2 3.27Å; R941-H943 WeakPolarHBondContact CG-NE2 3.47Å
942	V	98.8	Very high	97.6	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	-179.4	-177.3	0	0	0	0	109.3	Y558 T608 V609 F611 Q926 A927 A928 I940	Y558-V942 HydrophobicContact CD1-CG2 4.34Å; Y558-V942 HydrophobicContact CD2-CG2 3.99Å; Y558-V942 HydrophobicContact CE2-CG2 4.39Å; Y558-V942 HydrophobicContact CG-CG2 3.99Å; T608-V942 VanDerWaalsContact CA-O 3.3Å; T608-V942 WeakPolarHBondContact CA-O 3.21Å; V609-V942 HydrophobicContact CG2-CB 4.15Å; V609-V942 PolarHBondContact N-O 3.08Å; V609-V942 PolarHBondContact O-N 3.13Å; F611-V942 HydrophobicContact CD2-CG2 4.1Å; F611-V942 HydrophobicContact CE2-CB 4.48Å; F611-V942 HydrophobicContact CE2-CG2 3.83Å; Q926-V942 HydrophobicContact CG-CG1 3.65Å; A927-V942 WeakPolarHBondContact O-CA 3.31Å; A928-V942 HydrophobicContact CB-CG2 4.28Å; I940-V942 HydrophobicContact CG2-CG2 3.84Å
943	H	98.8	Very high	97.5	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	123	172	-55.1	-72.7	0	0	0	108.8	T506 F507 P534 S607 T608 Q926 A927 R941	T506-H943 VanDerWaalsContact CG2-CE1 3.46Å; T506-H943 WeakPolarHBondContact CG2-CE1 3.3Å; T506-H943 WeakPolarHBondContact CG2-ND1 3.42Å; F507-H943 HydrophobicContact CD1-CB 3.94Å; P534-H943 PolarHBondContact O-NE2 3.09Å; S607-H943 CarbonylContact O-C 3.53Å; S607-H943 WeakPolarHBondContact O-CA 3.36Å; T608-H943 WeakPolarHBondContact CG2-ND1 3.4Å; T608-H943 PolarHBondContact OG1-ND1 2.81Å; Q926-H943 CarbonylContact C-O 3.54Å; Q926-H943 VanDerWaalsContact CA-O 3.3Å; Q926-H943 WeakPolarHBondContact CA-O 3.44Å; A927-H943 PolarHBondContact N-O 3.37Å; A927-H943 PolarHBondContact O-N 3.47Å; R941-H943 VanDerWaalsContact CD-NE2 3.29Å; R941-H943 WeakPolarHBondContact CD-NE2 3.27Å; R941-H943 WeakPolarHBondContact CG-NE2 3.47Å
944	T	98.8	Very high	97.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.1	177.9	-44.9	0	0	0	0	110.6	C502 N560 F562 S607 F925 Q926	C502-T944 WeakPolarHBondContact CB-O 3.37Å; N560-T944 HydrophobicContact CB-CG2 4.02Å; F562-T944 HydrophobicContact CD2-CG2 3.73Å; F562-T944 HydrophobicContact CE2-CG2 3.89Å; S607-T944 VanDerWaalsContact CB-O 3.23Å; S607-T944 WeakPolarHBondContact CB-O 3.46Å; S607-T944 PolarHBondContact O-N 3.13Å; F925-T944 CarbonylContact O-C 3.58Å; F925-T944 WeakPolarHBondContact O-CA 3.5Å; Q926-T944 HydrophobicContact CB-CG2 4.24Å; Q926-T944 HydrophobicContact CG-CG2 4.5Å; Q926-T944 PolarHBondContact NE2-OG1 3.26Å
945	L	98.7	Very high	97.2	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.3	176.3	174	64.9	0	0	0	109	C502 F507 C509 C924 F925 L947	C502-L945 HydrophobicContact CB-CB 4.17Å; C502-L945 HydrophobicContact CB-CD1 4.33Å; F507-L945 HydrophobicContact CD1-CB 3.64Å; F507-L945 HydrophobicContact CD2-CD2 4.12Å; F507-L945 HydrophobicContact CE1-CB 3.85Å; F507-L945 HydrophobicContact CE2-CD2 4.41Å; F507-L945 HydrophobicContact CG-CB 4.07Å; F507-L945 HydrophobicContact CG-CD2 4.22Å; F507-L945 HydrophobicContact CZ-CB 4.44Å; C509-L945 HydrophobicContact CB-CD2 4.31Å; C924-L945 CarbonylContact C-O 3.54Å; C924-L945 WeakPolarHBondContact CA-O 3.33Å; F925-L945 PolarHBondContact N-O 3.43Å; F925-L945 PolarHBondContact O-N 3.42Å; L945-L947 HydrophobicContact CD1-CD2 4.12Å; L945-L947 HydrophobicContact CD1-CG 4.46Å; L945-L947 HydrophobicContact CD2-CD1 4.26Å; L945-L947 HydrophobicContact CD2-CG 4.48Å; L945-L947 HydrophobicContact CG-CD1 4.48Å; L945-L947 HydrophobicContact CG-CD2 4.37Å; L945-L947 HydrophobicContact CG-CG 4.19Å
946	C	98.6	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.1	171.1	-176.5	0	0	0	0	110	L493 N501 F562	L493-C946 HydrophobicContact CD1-CB 4.31Å; N501-C946 PolarHBondContact ND2-O 2.93Å; N501-C946 PolarHBondContact OD1-N 2.68Å; F562-C946 HydrophobicContact CD1-CB 3.43Å; F562-C946 VanDerWaalsContact CD1-CB 3.43Å; F562-C946 HydrophobicContact CD2-CB 3.85Å; F562-C946 HydrophobicContact CE1-CB 3.29Å; F562-C946 HydrophobicContact CE2-CB 3.72Å; F562-C946 HydrophobicContact CG-CB 3.71Å; F562-C946 HydrophobicContact CZ-CB 3.43Å; F562-C946 VanDerWaalsContact CZ-CB 3.43Å
947	L	98.6	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147	-179	-63.4	177.5	0	0	0	110.2	P491 C509 T512 I514 L922 A923 F925 L945	P491-L947 HydrophobicContact CB-CD2 3.58Å; P491-L947 HydrophobicContact CG-CD2 3.37Å; C509-L947 HydrophobicContact CB-CD1 3.53Å; T512-L947 HydrophobicContact CG2-CD2 4.46Å; T512-L947 WeakPolarHBondContact O-CB 3.08Å; I514-L947 HydrophobicContact CD1-CD1 3.83Å; I514-L947 HydrophobicContact CG1-CB 3.86Å; I514-L947 HydrophobicContact CG1-CD1 3.97Å; L922-L947 WeakPolarHBondContact CA-O 3.37Å; A923-L947 PolarHBondContact N-O 3.06Å; A923-L947 PolarHBondContact O-N 3.32Å; F925-L947 HydrophobicContact CD2-CD1 4.43Å; F925-L947 HydrophobicContact CE2-CD1 3.98Å; L945-L947 HydrophobicContact CD1-CD2 4.12Å; L945-L947 HydrophobicContact CD1-CG 4.46Å; L945-L947 HydrophobicContact CD2-CD1 4.26Å; L945-L947 HydrophobicContact CD2-CG 4.48Å; L945-L947 HydrophobicContact CG-CD1 4.48Å; L945-L947 HydrophobicContact CG-CD2 4.37Å; L945-L947 HydrophobicContact CG-CG 4.19Å
948	P	98.1	Very high	97.3	Very high	14 Å²	14	21.8 Å²	21.8	9%	0.091	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	152.2	170.2	28.6	-37.5	0	0	0	112.9	N492 T512 I514	N492-P948 HydrophobicContact CB-CG 4.4Å; N492-P948 WeakPolarHBondContact O-CB 3.4Å; N492-P948 WeakPolarHBondContact O-CG 3.1Å; T512-P948 VanDerWaalsContact O-CD 3.25Å; T512-P948 WeakPolarHBondContact O-CD 3.31Å; I514-P948 WeakPolarHBondContact CB-O 3.26Å; I514-P948 PolarHBondContact N-O 2.67Å
949	V	98.5	Very high	97.2	Very high	21 Å²	21	20.6 Å²	20.6	13%	0.127	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132	169.7	176.7	0	0	0	0	109.2	I514 Q516 L917 S920 S921 A923	I514-V949 HydrophobicContact CB-CG2 4.47Å; I514-V949 CarbonylContact O-C 3.59Å; I514-V949 WeakPolarHBondContact O-CA 3.3Å; Q516-V949 HydrophobicContact CB-CG1 3.87Å; Q516-V949 HydrophobicContact CG-CG1 4.14Å; L917-V949 HydrophobicContact CB-CG1 3.87Å; L917-V949 HydrophobicContact CB-CG2 4.38Å; L917-V949 HydrophobicContact CD1-CG1 4.46Å; L917-V949 HydrophobicContact CD1-CG2 4.23Å; S920-V949 WeakPolarHBondContact O-CB 3.22Å; S921-V949 PolarHBondContact O-N 2.66Å; A923-V949 HydrophobicContact CB-CG2 3.76Å
950	V	98.1	Very high	97.2	Very high	19 Å²	19	18 Å²	18	12%	0.115	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	-174	-59.3	0	0	0	0	112.6	I514 Q516 L520 D955 V956	I514-V950 PolarHBondContact O-N 3.34Å; Q516-V950 WeakPolarHBondContact CB-O 3.37Å; Q516-V950 PolarHBondContact N-O 2.96Å; L520-V950 WeakPolarHBondContact CD2-O 3.39Å; V950-D955 HydrophobicContact CB-CB 3.76Å; V950-D955 HydrophobicContact CG1-CB 3.8Å; V950-D955 HydrophobicContact CG2-CB 3.97Å; V950-V956 HydrophobicContact CG2-CG2 3.55Å
951	S	96.8	Very high	97.2	Very high	76 Å²	76	18.1 Å²	18.1	53%	0.531	11%	0.105	S	C	.	.			trans	-106.7	-12.5	-179.1	57.6	0	0	0	0	114.1	L520	L520-S951 WeakPolarHBondContact CD2-O 3.48Å
952	Q	94.9	Very high	97.2	Very high	116 Å²	116	17.7 Å²	17.7	54%	0.542	10%	0.104	S	C	.	.	S	Bend	trans	-101.5	150.6	177.3	-51.1	-178.3	93.9	0	0	111.8	S954 D955	Q952-S954 WeakPolarHBondContact CB-OG 3.47Å; Q952-D955 WeakPolarHBondContact CB-OD2 3.23Å; Q952-D955 PolarHBondContact NE2-OD2 3.07Å; Q952-D955 PolarHBondContact O-N 2.78Å
953	L	95.1	Very high	97.2	Very high	13 Å²	13	18.5 Å²	18.5	7%	0.068	11%	0.108	C	C	.	.	H	α-helix	trans	-76.4	-27.8	-177.6	-179.3	59.6	0	0	0	113.3	L520 K523 A524 D955 Y957 V1004	L520-L953 HydrophobicContact CD1-CB 4.08Å; L520-L953 HydrophobicContact CD1-CD1 4.38Å; K523-L953 HydrophobicContact CD-CD2 4.19Å; K523-L953 HydrophobicContact CG-CD2 4.17Å; A524-L953 HydrophobicContact CB-CD1 3.46Å; A524-L953 VanDerWaalsContact CB-CD1 3.46Å; L953-D955 VanDerWaalsContact C-N 3.29Å; L953-D955 PolarHBondContact O-N 2.93Å; L953-Y957 HydrophobicContact CD1-CD2 4.31Å; L953-Y957 HydrophobicContact CD1-CE1 4.12Å; L953-Y957 HydrophobicContact CD1-CE2 3.75Å; L953-Y957 HydrophobicContact CD2-CE2 3.91Å; L953-Y957 HydrophobicContact CG-CD2 4.06Å; L953-Y957 HydrophobicContact CG-CE2 3.5Å; L953-Y957 VanDerWaalsContact O-CD2 3.25Å; L953-Y957 WeakPolarHBondContact O-CD2 3.45Å; L953-Y957 PolarHBondContact O-N 3.03Å; L953-V1004 HydrophobicContact CD2-CG2 4.28Å; L953-V1004 HydrophobicContact CG-CG2 4.23Å
954	S	93.9	Very high	97.1	Very high	29 Å²	29	18.3 Å²	18.3	20%	0.203	11%	0.107	C	C	.	.	H	α-helix	trans	-51.3	-51.4	167.7	37.9	0	0	0	0	111	L469 Q952 V956 Y957 A958	L469-S954 WeakPolarHBondContact CD2-O 3.05Å; Q952-S954 WeakPolarHBondContact CB-OG 3.47Å; S954-V956 VanDerWaalsContact C-N 3.3Å; S954-V956 PolarHBondContact O-N 3.2Å; S954-Y957 CarbonylContact O-C 3.4Å; S954-Y957 PolarHBondContact O-N 3.3Å; S954-A958 PolarHBondContact O-N 2.91Å
955	D	94.9	Very high	97.1	Very high	44 Å²	44	18.2 Å²	18.2	24%	0.235	11%	0.106	C	C	.	.	H	α-helix	trans	-70.9	-32.5	-166.7	-42.3	-8.4	0	0	0	110.4	S513 V950 Q952 L953 A958 G959	S513-D955 WeakPolarHBondContact CB-O 3.49Å; S513-D955 PolarHBondContact OG-O 2.9Å; V950-D955 HydrophobicContact CB-CB 3.76Å; V950-D955 HydrophobicContact CG1-CB 3.8Å; V950-D955 HydrophobicContact CG2-CB 3.97Å; Q952-D955 WeakPolarHBondContact CB-OD2 3.23Å; Q952-D955 PolarHBondContact NE2-OD2 3.07Å; Q952-D955 PolarHBondContact O-N 2.78Å; L953-D955 VanDerWaalsContact C-N 3.29Å; L953-D955 PolarHBondContact O-N 2.93Å; D955-A958 PolarHBondContact O-N 2.78Å; D955-G959 PolarHBondContact O-N 2.98Å; D955-G959 VanDerWaalsContact O-N 3.11Å
956	V	97.2	Very high	97.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-41	170.5	179.3	0	0	0	0	111.7	L511 P515 L520 A524 V950 S954 A960	L511-V956 HydrophobicContact CD1-CG1 4.06Å; L511-V956 HydrophobicContact CD2-CG1 4.01Å; P515-V956 HydrophobicContact CB-CG2 4.27Å; P515-V956 HydrophobicContact CG-CG1 4.02Å; P515-V956 HydrophobicContact CG-CG2 3.87Å; L520-V956 HydrophobicContact CD2-CG2 4.14Å; L520-V956 HydrophobicContact CG-CG2 4.34Å; A524-V956 HydrophobicContact CB-CG1 3.97Å; V950-V956 HydrophobicContact CG2-CG2 3.55Å; S954-V956 VanDerWaalsContact C-N 3.3Å; S954-V956 PolarHBondContact O-N 3.2Å; V956-A960 PolarHBondContact O-N 3.16Å
957	Y	96.3	Very high	97.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-76.1	-30.7	177.5	-64.8	-38.8	0	0	0	113.3	A524 L526 L953 S954 G959 A960 F996 A999 Y1000 V1004	A524-Y957 HydrophobicContact CB-CE1 4.19Å; A524-Y957 WeakPolarHBondContact O-CE1 3.49Å; A524-Y957 PolarHBondContact O-OH 3.4Å; L526-Y957 HydrophobicContact CD1-CD1 3.82Å; L526-Y957 HydrophobicContact CD1-CE1 4.03Å; L526-Y957 HydrophobicContact CG-CE1 4.34Å; L953-Y957 HydrophobicContact CD1-CD2 4.31Å; L953-Y957 HydrophobicContact CD1-CE1 4.12Å; L953-Y957 HydrophobicContact CD1-CE2 3.75Å; L953-Y957 HydrophobicContact CD2-CE2 3.91Å; L953-Y957 HydrophobicContact CG-CD2 4.06Å; L953-Y957 HydrophobicContact CG-CE2 3.5Å; L953-Y957 VanDerWaalsContact O-CD2 3.25Å; L953-Y957 WeakPolarHBondContact O-CD2 3.45Å; L953-Y957 PolarHBondContact O-N 3.03Å; S954-Y957 CarbonylContact O-C 3.4Å; S954-Y957 PolarHBondContact O-N 3.3Å; Y957-G959 VanDerWaalsContact C-N 3.33Å; Y957-A960 WeakPolarHBondContact O-CB 3.32Å; Y957-A960 PolarHBondContact O-N 2.76Å; Y957-F996 HydrophobicContact CD1-CD2 4.45Å; Y957-F996 AromaticContact CD1-CE2 3.77Å; Y957-F996 HydrophobicContact CD1-CE2 3.77Å; Y957-F996 AromaticContact CE1-CD2 3.84Å; Y957-F996 HydrophobicContact CE1-CD2 3.84Å; Y957-F996 AromaticContact CE1-CE2 3.56Å; Y957-F996 HydrophobicContact CE1-CE2 3.56Å; Y957-A999 WeakPolarHBondContact OH-CB 3.45Å; Y957-Y1000 AromaticContact CD2-CD2 3.64Å; Y957-Y1000 HydrophobicContact CD2-CD2 3.64Å; Y957-Y1000 HydrophobicContact CD2-CE2 4.32Å; Y957-Y1000 AromaticContact CE2-CD2 3.71Å; Y957-Y1000 HydrophobicContact CE2-CD2 3.71Å; Y957-Y1000 HydrophobicContact CE2-CG 4.39Å; Y957-Y1000 HydrophobicContact CG-CD2 4.46Å; Y957-Y1000 PolarHBondContact OH-N 3.15Å; Y957-V1004 HydrophobicContact CD2-CG2 4.02Å; Y957-V1004 HydrophobicContact CE2-CG2 3.88Å
958	A	94.7	Very high	97.1	Very high	14 Å²	14	18.1 Å²	18.1	12%	0.116	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-40.6	172.1	0	0	0	0	0	111.2	L469 S954 D955 A960	L469-A958 HydrophobicContact CD1-CB 4.11Å; L469-A958 HydrophobicContact CD2-CB 4.12Å; L469-A958 HydrophobicContact CG-CB 3.88Å; S954-A958 PolarHBondContact O-N 2.91Å; D955-A958 PolarHBondContact O-N 2.78Å; A958-A960 VanDerWaalsContact C-N 3.3Å; A958-A960 PolarHBondContact O-N 3.13Å
959	G	95.9	Very high	97.1	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	13.7	175.9	0	0	0	0	0	115.6	L511 T512 D955 Y957 D961	L511-G959 CarbonylContact C-O 3.57Å; L511-G959 WeakPolarHBondContact CA-O 3.1Å; T512-G959 PolarHBondContact N-O 3.12Å; T512-G959 WeakPolarHBondContact OG1-CA 3.29Å; T512-G959 PolarHBondContact OG1-O 3.02Å; T512-G959 VanDerWaalsContact OG1-O 3.1Å; D955-G959 PolarHBondContact O-N 2.98Å; D955-G959 VanDerWaalsContact O-N 3.11Å; Y957-G959 VanDerWaalsContact C-N 3.33Å; G959-D961 PolarHBondContact O-N 3.2Å
960	A	97.8	Very high	97.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-79.1	118.8	-175.1	0	0	0	0	0	112.6	L511 L526 V956 Y957 A958 V962 I965 M1018	L511-A960 HydrophobicContact CD2-CB 4.34Å; L526-A960 HydrophobicContact CD1-CB 3.97Å; V956-A960 PolarHBondContact O-N 3.16Å; Y957-A960 WeakPolarHBondContact O-CB 3.32Å; Y957-A960 PolarHBondContact O-N 2.76Å; A958-A960 VanDerWaalsContact C-N 3.3Å; A958-A960 PolarHBondContact O-N 3.13Å; A960-V962 PolarHBondContact O-N 3.5Å; A960-I965 HydrophobicContact CB-CD1 4.03Å; A960-M1018 HydrophobicContact CB-CG 3.94Å; A960-M1018 HydrophobicContact CB-SD 3.72Å
961	D	98.2	Very high	97.2	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	10%	0.095	C	C	.	.			trans	-90.2	91.5	175.5	-176.9	-20.5	0	0	0	110.3	P489 R508 T510 G959 Q963 A964 I965	P489-D961 HydrophobicContact CG-CB 4.08Å; R508-D961 IonicContact CZ-OD1 3.39Å; R508-D961 IonicContact CZ-OD2 3.24Å; R508-D961 IonicContact NE-OD2 2.71Å; R508-D961 PolarHBondContact NE-OD2 3.44Å; R508-D961 IonicContact NH2-OD1 2.71Å; R508-D961 PolarHBondContact NH2-OD1 2.72Å; R508-D961 IonicContact NH2-OD2 3.33Å; R508-D961 PolarHBondContact NH2-OD2 3.09Å; T510-D961 PolarHBondContact O-N 2.7Å; G959-D961 PolarHBondContact O-N 3.2Å; D961-Q963 VanDerWaalsContact C-N 3.27Å; D961-Q963 PolarHBondContact O-N 2.88Å; D961-Q963 PolarHBondContact OD1-N 2.79Å; D961-A964 HydrophobicContact CB-CB 3.88Å; D961-A964 PolarHBondContact O-N 2.95Å; D961-A964 VanDerWaalsContact O-N 3.14Å; D961-A964 PolarHBondContact OD1-N 2.82Å; D961-I965 WeakPolarHBondContact O-CB 3.48Å; D961-I965 VanDerWaalsContact O-CG1 3.25Å; D961-I965 WeakPolarHBondContact O-CG1 3.29Å; D961-I965 PolarHBondContact O-N 2.9Å
962	V	98.2	Very high	97.2	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-56.5	-35.1	-175.9	66.3	0	0	0	0	113.8	L486 A960 T966 M1018 F1021 Y1024	L486-V962 HydrophobicContact CD2-CG1 3.6Å; A960-V962 PolarHBondContact O-N 3.5Å; V962-T966 WeakPolarHBondContact O-CB 3.37Å; V962-T966 PolarHBondContact O-N 3.31Å; V962-T966 PolarHBondContact O-OG1 3.48Å; V962-M1018 HydrophobicContact CB-SD 3.78Å; V962-M1018 HydrophobicContact CG2-SD 4.03Å; V962-F1021 HydrophobicContact CG2-CB 3.72Å; V962-F1021 HydrophobicContact CG2-CD2 4.34Å; V962-F1021 HydrophobicContact CG2-CG 4.47Å; V962-Y1024 HydrophobicContact CG1-CE2 4.31Å; V962-Y1024 HydrophobicContact CG2-CD2 4.12Å; V962-Y1024 HydrophobicContact CG2-CE2 4.45Å
963	Q	98.2	Very high	97.4	Very high	19 Å²	19	10.3 Å²	10.3	9%	0.089	6%	0.06	C	C	.	.	H	α-helix	trans	-69.3	-47.5	176.9	-70.1	174	-17.8	0	0	110.8	L486 R508 D961 T966 C967 Y1024 L1057 M1061	L486-Q963 HydrophobicContact CD2-CG 4.2Å; L486-Q963 PolarHBondContact O-NE2 2.87Å; L486-Q963 VanDerWaalsContact O-NE2 3.14Å; R508-Q963 VanDerWaalsContact NH1-OE1 3.13Å; D961-Q963 VanDerWaalsContact C-N 3.27Å; D961-Q963 PolarHBondContact O-N 2.88Å; D961-Q963 PolarHBondContact OD1-N 2.79Å; Q963-T966 PolarHBondContact O-N 3.18Å; Q963-C967 WeakPolarHBondContact O-CB 3.41Å; Q963-C967 PolarHBondContact O-N 2.92Å; Q963-Y1024 HydrophobicContact CG-CE2 4.18Å; Q963-L1057 HydrophobicContact CB-CD1 4.22Å; Q963-L1057 HydrophobicContact CB-CD2 4.06Å; Q963-L1057 HydrophobicContact CB-CG 4.43Å; Q963-M1061 HydrophobicContact CB-CG 4.21Å; Q963-M1061 HydrophobicContact CB-SD 4.04Å; Q963-M1061 HydrophobicContact CG-CE 4.26Å; Q963-M1061 HydrophobicContact CG-CG 4.09Å; Q963-M1061 HydrophobicContact CG-SD 4.11Å
964	A	98.5	Very high	97.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-42.2	178.3	0	0	0	0	0	111.7	T510 L531 D961 C967 L968	T510-A964 HydrophobicContact CG2-CB 4.08Å; L531-A964 HydrophobicContact CD1-CB 3.82Å; L531-A964 HydrophobicContact CD2-CB 4.24Å; D961-A964 HydrophobicContact CB-CB 3.88Å; D961-A964 PolarHBondContact O-N 2.95Å; D961-A964 VanDerWaalsContact O-N 3.14Å; D961-A964 PolarHBondContact OD1-N 2.82Å; A964-C967 PolarHBondContact O-N 3.2Å; A964-L968 WeakPolarHBondContact O-CB 3.43Å; A964-L968 PolarHBondContact O-N 3.46Å
965	I	98.8	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-52.2	175.1	-71.4	164	0	0	0	110.3	T510 L526 P527 A960 D961 C967 L968 L969 M1018 F1021	T510-I965 HydrophobicContact CG2-CG1 4.21Å; L526-I965 HydrophobicContact CD1-CD1 4.08Å; L526-I965 HydrophobicContact CD2-CD1 4.35Å; P527-I965 HydrophobicContact CG-CG2 4.16Å; A960-I965 HydrophobicContact CB-CD1 4.03Å; D961-I965 WeakPolarHBondContact O-CB 3.48Å; D961-I965 VanDerWaalsContact O-CG1 3.25Å; D961-I965 WeakPolarHBondContact O-CG1 3.29Å; D961-I965 PolarHBondContact O-N 2.9Å; I965-C967 VanDerWaalsContact C-N 3.35Å; I965-C967 PolarHBondContact O-N 3.2Å; I965-L968 PolarHBondContact O-N 2.82Å; I965-L969 HydrophobicContact CG2-CD1 3.81Å; I965-L969 WeakPolarHBondContact O-CB 3.32Å; I965-L969 WeakPolarHBondContact O-CG 3.43Å; I965-L969 PolarHBondContact O-N 3.07Å; I965-M1018 HydrophobicContact CD1-CE 3.87Å; I965-M1018 HydrophobicContact CD1-SD 3.9Å; I965-F1021 HydrophobicContact CG2-CD2 4.3Å; I965-F1021 HydrophobicContact CG2-CE2 3.75Å; I965-F1021 HydrophobicContact CG2-CZ 4.26Å
966	T	98.6	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-43.8	177.6	-74.9	0	0	0	0	112.4	V962 Q963 L969 A970 L1064	V962-T966 WeakPolarHBondContact O-CB 3.37Å; V962-T966 PolarHBondContact O-N 3.31Å; V962-T966 PolarHBondContact O-OG1 3.48Å; Q963-T966 PolarHBondContact O-N 3.18Å; T966-L969 PolarHBondContact O-N 3.14Å; T966-A970 WeakPolarHBondContact O-CB 3.32Å; T966-A970 PolarHBondContact O-N 3.23Å; T966-L1064 HydrophobicContact CG2-CD2 3.3Å
967	C	98.3	Very high	97.7	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-67.4	-38.1	-179.8	176.7	0	0	0	0	113	L531 Q963 A964 I965 N971 L1057 L1060	L531-C967 HydrophobicContact CD2-CB 3.8Å; L531-C967 VanDerWaalsContact CD2-SG 3.58Å; Q963-C967 WeakPolarHBondContact O-CB 3.41Å; Q963-C967 PolarHBondContact O-N 2.92Å; A964-C967 PolarHBondContact O-N 3.2Å; I965-C967 VanDerWaalsContact C-N 3.35Å; I965-C967 PolarHBondContact O-N 3.2Å; C967-N971 PolarHBondContact O-N 3.33Å; C967-N971 VanDerWaalsContact O-N 3.12Å; C967-N971 PolarHBondContact O-ND2 3.22Å; C967-L1057 HydrophobicContact CB-CD1 3.49Å; C967-L1057 VanDerWaalsContact CB-CD1 3.49Å; C967-L1060 HydrophobicContact CB-CD2 3.97Å; C967-L1060 VanDerWaalsContact SG-CD1 3.59Å
968	L	98.7	Very high	97.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67	-45.4	173.9	-178.2	61.2	0	0	0	111	T510 P527 A908 A964 I965 A970 N971 M972	T510-L968 HydrophobicContact CG2-CB 4.14Å; T510-L968 HydrophobicContact CG2-CD2 3.7Å; P527-L968 HydrophobicContact CB-CD2 3.94Å; P527-L968 HydrophobicContact CG-CD2 4.24Å; A908-L968 HydrophobicContact CB-CD1 4.39Å; A964-L968 WeakPolarHBondContact O-CB 3.43Å; A964-L968 PolarHBondContact O-N 3.46Å; I965-L968 PolarHBondContact O-N 2.82Å; L968-A970 VanDerWaalsContact C-N 3.31Å; L968-A970 PolarHBondContact O-N 3.48Å; L968-N971 WeakPolarHBondContact O-CB 3.46Å; L968-N971 PolarHBondContact O-N 2.88Å; L968-N971 VanDerWaalsContact O-N 3.1Å; L968-M972 HydrophobicContact CG-SD 4.07Å; L968-M972 WeakPolarHBondContact O-CG 3.5Å; L968-M972 PolarHBondContact O-N 3.13Å
969	L	98.7	Very high	97.6	Very high	17 Å²	17	22.6 Å²	22.6	9%	0.089	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-37.8	175.5	-72.9	171	0	0	0	112.5	P527 I965 T966 M972 A973 L989 A992 F1021 I1025	P527-L969 HydrophobicContact CG-CD1 4.5Å; P527-L969 HydrophobicContact CG-CD2 4.04Å; P527-L969 HydrophobicContact CG-CG 4.02Å; I965-L969 HydrophobicContact CG2-CD1 3.81Å; I965-L969 WeakPolarHBondContact O-CB 3.32Å; I965-L969 WeakPolarHBondContact O-CG 3.43Å; I965-L969 PolarHBondContact O-N 3.07Å; T966-L969 PolarHBondContact O-N 3.14Å; L969-M972 HydrophobicContact CD2-SD 4.34Å; L969-M972 PolarHBondContact O-N 2.95Å; L969-A973 VanDerWaalsContact O-CB 3.25Å; L969-A973 WeakPolarHBondContact O-CB 3.49Å; L969-A973 PolarHBondContact O-N 2.79Å; L969-L989 HydrophobicContact CB-CD2 3.8Å; L969-A992 HydrophobicContact CD1-CB 4.29Å; L969-A992 HydrophobicContact CD2-CB 4.35Å; L969-F1021 HydrophobicContact CD1-CE2 3.66Å; L969-F1021 HydrophobicContact CD1-CZ 3.77Å; L969-I1025 HydrophobicContact CD1-CD1 4.13Å
970	A	98.4	Very high	97.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-42.4	172.9	0	0	0	0	0	112	T966 L968 M972 A973 I974 L1028 F1052	T966-A970 WeakPolarHBondContact O-CB 3.32Å; T966-A970 PolarHBondContact O-N 3.23Å; L968-A970 VanDerWaalsContact C-N 3.31Å; L968-A970 PolarHBondContact O-N 3.48Å; A970-M972 PolarHBondContact O-N 3.31Å; A970-A973 PolarHBondContact O-N 3.19Å; A970-I974 WeakPolarHBondContact O-CD1 3.39Å; A970-I974 VanDerWaalsContact O-CG1 3.25Å; A970-I974 WeakPolarHBondContact O-CG1 3.49Å; A970-I974 PolarHBondContact O-N 3.01Å; A970-L1028 HydrophobicContact CB-CD1 3.69Å; A970-L1028 HydrophobicContact CB-CD2 3.77Å; A970-L1028 HydrophobicContact CB-CG 4.4Å; A970-F1052 HydrophobicContact CB-CD1 3.46Å; A970-F1052 VanDerWaalsContact CB-CD1 3.46Å; A970-F1052 HydrophobicContact CB-CE1 3.66Å
971	N	98.4	Very high	97.4	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-42.8	175.6	-90.8	-91.4	0	0	0	112.6	H885 C967 L968 D975 F1052 K1053	H885-N971 HydrophobicContact CB-CB 3.96Å; H885-N971 WeakPolarHBondContact CB-OD1 3.34Å; C967-N971 PolarHBondContact O-N 3.33Å; C967-N971 VanDerWaalsContact O-N 3.12Å; C967-N971 PolarHBondContact O-ND2 3.22Å; L968-N971 WeakPolarHBondContact O-CB 3.46Å; L968-N971 PolarHBondContact O-N 2.88Å; L968-N971 VanDerWaalsContact O-N 3.1Å; N971-D975 PolarHBondContact O-N 3.14Å; N971-F1052 PolarHBondContact ND2-O 2.93Å; N971-F1052 PolarHBondContact OD1-O 3.48Å; N971-K1053 PolarHBondContact O-NZ 3.2Å; N971-K1053 VanDerWaalsContact O-NZ 3.09Å; N971-K1053 WeakPolarHBondContact OD1-CD 3.38Å
972	M	98.4	Very high	97.2	Very high	55 Å²	55	28 Å²	28	27%	0.271	16%	0.156	S	C	.	.	H	α-helix	trans	-68	-40.2	176.2	-64.4	167.6	73.2	0	0	112.5	L968 L969 A970 I974 D975 R976	L968-M972 HydrophobicContact CG-SD 4.07Å; L968-M972 WeakPolarHBondContact O-CG 3.5Å; L968-M972 PolarHBondContact O-N 3.13Å; L969-M972 HydrophobicContact CD2-SD 4.34Å; L969-M972 PolarHBondContact O-N 2.95Å; A970-M972 PolarHBondContact O-N 3.31Å; M972-I974 VanDerWaalsContact C-N 3.35Å; M972-D975 PolarHBondContact O-N 2.98Å; M972-R976 WeakPolarHBondContact O-CB 3.41Å; M972-R976 PolarHBondContact O-N 2.83Å
973	A	98.3	Very high	97	Very high	6 Å²	6	30.7 Å²	30.7	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-67.9	-33.7	177.9	0	0	0	0	0	112.3	L969 A970 S977 A985 L989 L1034	L969-A973 VanDerWaalsContact O-CB 3.25Å; L969-A973 WeakPolarHBondContact O-CB 3.49Å; L969-A973 PolarHBondContact O-N 2.79Å; A970-A973 PolarHBondContact O-N 3.19Å; A973-S977 WeakPolarHBondContact O-CB 3.39Å; A973-S977 PolarHBondContact O-N 2.85Å; A973-S977 PolarHBondContact O-OG 3.41Å; A973-A985 HydrophobicContact CB-CB 4.31Å; A973-A985 WeakPolarHBondContact O-CB 3.41Å; A973-L989 HydrophobicContact CB-CD1 3.75Å; A973-L989 HydrophobicContact CB-CD2 4.05Å; A973-L989 HydrophobicContact CB-CG 3.89Å; A973-L1034 HydrophobicContact CB-CD1 4.04Å
974	I	97.6	Very high	96.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-44.8	173.3	-71.6	164	0	0	0	110.8	A970 M972 R976 S977 I978 M1049 F1052	A970-I974 WeakPolarHBondContact O-CD1 3.39Å; A970-I974 VanDerWaalsContact O-CG1 3.25Å; A970-I974 WeakPolarHBondContact O-CG1 3.49Å; A970-I974 PolarHBondContact O-N 3.01Å; M972-I974 VanDerWaalsContact C-N 3.35Å; I974-R976 PolarHBondContact O-N 2.77Å; I974-S977 WeakPolarHBondContact O-CB 3.41Å; I974-S977 PolarHBondContact O-N 2.86Å; I974-I978 HydrophobicContact CG2-CD1 4.37Å; I974-I978 PolarHBondContact O-N 2.96Å; I974-M1049 HydrophobicContact CG1-CG 4.16Å; I974-M1049 HydrophobicContact CG2-CB 3.87Å; I974-M1049 HydrophobicContact CG2-CG 3.99Å; I974-M1049 HydrophobicContact CG2-SD 4.34Å; I974-F1052 HydrophobicContact CD1-CB 3.27Å; I974-F1052 HydrophobicContact CD1-CG 3.96Å
975	D	96.9	Very high	96.8	Very high	55 Å²	55	32.7 Å²	32.7	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-45	175.3	-67.6	-29.1	0	0	0	110.9	H885 N971 M972 S977 I978 S979 K1053	H885-D975 IonicContact CE1-OD2 3.73Å; H885-D975 PolarHBondContact CE1-OD2 3.03Å; H885-D975 IonicContact ND1-OD2 3.64Å; H885-D975 PolarHBondContact ND1-OD2 3.38Å; N971-D975 PolarHBondContact O-N 3.14Å; M972-D975 PolarHBondContact O-N 2.98Å; D975-S977 VanDerWaalsContact C-N 3.29Å; D975-S977 PolarHBondContact O-N 2.84Å; D975-I978 PolarHBondContact O-N 2.81Å; D975-I978 VanDerWaalsContact O-N 3.11Å; D975-S979 WeakPolarHBondContact O-CB 3.4Å; D975-S979 PolarHBondContact O-N 3.34Å; D975-S979 PolarHBondContact O-OG 3.12Å; D975-K1053 WeakPolarHBondContact OD1-CE 3.18Å; D975-K1053 IonicContact OD1-NZ 3.87Å; D975-K1053 PolarHBondContact OD1-NZ 3.31Å; D975-K1053 IonicContact OD2-NZ 2.64Å; D975-K1053 PolarHBondContact OD2-NZ 2.88Å
976	R	96.9	Very high	96.7	Very high	118 Å²	118	34.8 Å²	34.8	45%	0.445	19%	0.194	S	C	.	.	H	α-helix	trans	-61.6	-33	175.3	-174.8	59.4	60.1	81.2	1.2	113.4	M972 I974 I978 S980 S981 D984 A985	M972-R976 WeakPolarHBondContact O-CB 3.41Å; M972-R976 PolarHBondContact O-N 2.83Å; I974-R976 PolarHBondContact O-N 2.77Å; R976-I978 PolarHBondContact O-N 3.15Å; R976-S980 WeakPolarHBondContact O-CB 3.49Å; R976-S980 PolarHBondContact O-N 3.5Å; R976-S981 PolarHBondContact O-N 2.86Å; R976-D984 HydrophobicContact CG-CB 4.13Å; R976-A985 HydrophobicContact CB-CB 4.13Å; R976-A985 HydrophobicContact CG-CB 4.14Å
977	S	96.3	Very high	96.6	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-27.6	177	-61.8	0	0	0	0	112.6	L788 A973 I974 D975 A985 L1034	L788-S977 WeakPolarHBondContact CD1-O 3.1Å; A973-S977 WeakPolarHBondContact O-CB 3.39Å; A973-S977 PolarHBondContact O-N 2.85Å; A973-S977 PolarHBondContact O-OG 3.41Å; I974-S977 WeakPolarHBondContact O-CB 3.41Å; I974-S977 PolarHBondContact O-N 2.86Å; D975-S977 VanDerWaalsContact C-N 3.29Å; D975-S977 PolarHBondContact O-N 2.84Å; S977-A985 WeakPolarHBondContact OG-CB 3.23Å; S977-L1034 VanDerWaalsContact OG-CD2 3.26Å; S977-L1034 WeakPolarHBondContact OG-CD2 3.41Å
978	I	94.3	Very high	96.6	Very high	85 Å²	85	40.2 Å²	40.2	44%	0.436	23%	0.229	S	C	.	.	H	α-helix	trans	-93.6	-36.5	179.8	-60.9	167.4	0	0	0	110.7	I974 D975 R976	I974-I978 HydrophobicContact CG2-CD1 4.37Å; I974-I978 PolarHBondContact O-N 2.96Å; D975-I978 PolarHBondContact O-N 2.81Å; D975-I978 VanDerWaalsContact O-N 3.11Å; R976-I978 PolarHBondContact O-N 3.15Å
979	S	94.5	Very high	96.6	Very high	94 Å²	94	40.3 Å²	40.3	66%	0.657	23%	0.229	S	C	*	.	H	α-helix	trans	-89.9	-5.7	-176.2	87.1	0	0	0	0	115.2	D975	D975-S979 WeakPolarHBondContact O-CB 3.4Å; D975-S979 PolarHBondContact O-N 3.34Å; D975-S979 PolarHBondContact O-OG 3.12Å
980	S	94.8	Very high	96.6	Very high	76 Å²	76	40.3 Å²	40.3	53%	0.531	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148	-93.5	-177.6	-168	0	0	0	0	109.2	R976 D984	R976-S980 WeakPolarHBondContact O-CB 3.49Å; R976-S980 PolarHBondContact O-N 3.5Å; S980-D984 WeakPolarHBondContact CB-OD2 3.39Å; S980-D984 PolarHBondContact OG-OD2 2.82Å
981	S	93.6	Very high	96.6	Very high	40 Å²	40	44.2 Å²	44.2	28%	0.28	25%	0.251	S	S	.	.			trans	-154.7	163.7	171.5	80.4	0	0	0	0	111.9	R976 S983 D984 A985	R976-S981 PolarHBondContact O-N 2.86Å; S981-S983 PolarHBondContact O-N 2.83Å; S981-S983 PolarHBondContact OG-N 3Å; S981-D984 VanDerWaalsContact CB-OD2 3.27Å; S981-D984 WeakPolarHBondContact CB-OD2 3.41Å; S981-D984 PolarHBondContact N-OD2 2.89Å; S981-D984 PolarHBondContact O-N 2.79Å; S981-D984 PolarHBondContact OG-N 3.33Å; S981-D984 PolarHBondContact OG-OD2 3.45Å; S981-A985 PolarHBondContact O-N 3.44Å
982	L	94	Very high	96.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-20.3	171.9	-179.8	56.4	0	0	0	112.9	R986 L1034 T1036	L982-R986 HydrophobicContact CD1-CG 4.21Å; L982-R986 VanDerWaalsContact O-CD 3.25Å; L982-R986 WeakPolarHBondContact O-CD 3.18Å; L982-R986 WeakPolarHBondContact O-CG 3.27Å; L982-R986 PolarHBondContact O-N 2.88Å; L982-L1034 HydrophobicContact CD1-CB 4.21Å; L982-L1034 HydrophobicContact CD1-CD2 3.64Å; L982-T1036 HydrophobicContact CD2-CG2 3.81Å; L982-T1036 HydrophobicContact CG-CG2 4.19Å
983	S	94.1	Very high	96.6	Very high	60 Å²	60	42.3 Å²	42.3	42%	0.42	24%	0.244	S	C	.	.	H	α-helix	trans	-71.2	-55.3	171.6	-155.8	0	0	0	0	109.8	S981 A985 R986 D987	S981-S983 PolarHBondContact O-N 2.83Å; S981-S983 PolarHBondContact OG-N 3Å; S983-A985 PolarHBondContact O-N 2.95Å; S983-R986 CarbonylContact O-C 3.58Å; S983-R986 WeakPolarHBondContact O-CA 3.33Å; S983-R986 WeakPolarHBondContact O-CB 3.23Å; S983-R986 PolarHBondContact O-N 3.38Å; S983-D987 VanDerWaalsContact C-OD2 3.25Å; S983-D987 PolarHBondContact O-N 2.68Å; S983-D987 PolarHBondContact OG-OD2 2.75Å
984	D	95.6	Very high	96.5	Very high	61 Å²	61	42.7 Å²	42.7	33%	0.326	25%	0.246	S	C	.	.	H	α-helix	trans	-55.7	-34.9	-176.7	-45.3	-51.4	0	0	0	112.4	R976 S980 S981 A988	R976-D984 HydrophobicContact CG-CB 4.13Å; S980-D984 WeakPolarHBondContact CB-OD2 3.39Å; S980-D984 PolarHBondContact OG-OD2 2.82Å; S981-D984 VanDerWaalsContact CB-OD2 3.27Å; S981-D984 WeakPolarHBondContact CB-OD2 3.41Å; S981-D984 PolarHBondContact N-OD2 2.89Å; S981-D984 PolarHBondContact O-N 2.79Å; S981-D984 PolarHBondContact OG-N 3.33Å; S981-D984 PolarHBondContact OG-OD2 3.45Å; D984-A988 WeakPolarHBondContact O-CB 3.48Å; D984-A988 PolarHBondContact O-N 2.64Å
985	A	97.3	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.9	-43.1	173.9	0	0	0	0	0	113.2	A973 R976 S977 S981 S983 L989	A973-A985 HydrophobicContact CB-CB 4.31Å; A973-A985 WeakPolarHBondContact O-CB 3.41Å; R976-A985 HydrophobicContact CB-CB 4.13Å; R976-A985 HydrophobicContact CG-CB 4.14Å; S977-A985 WeakPolarHBondContact OG-CB 3.23Å; S981-A985 PolarHBondContact O-N 3.44Å; S983-A985 PolarHBondContact O-N 2.95Å; A985-L989 WeakPolarHBondContact O-CG 3.08Å; A985-L989 PolarHBondContact O-N 2.89Å
986	R	97	Very high	96.5	Very high	43 Å²	43	42.8 Å²	42.8	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-70.9	-44.3	177.6	-68.5	168.2	63	74.4	9.3	111.1	L982 S983 A988 L989 V990 L1029 L1034	L982-R986 HydrophobicContact CD1-CG 4.21Å; L982-R986 VanDerWaalsContact O-CD 3.25Å; L982-R986 WeakPolarHBondContact O-CD 3.18Å; L982-R986 WeakPolarHBondContact O-CG 3.27Å; L982-R986 PolarHBondContact O-N 2.88Å; S983-R986 CarbonylContact O-C 3.58Å; S983-R986 WeakPolarHBondContact O-CA 3.33Å; S983-R986 WeakPolarHBondContact O-CB 3.23Å; S983-R986 PolarHBondContact O-N 3.38Å; R986-A988 VanDerWaalsContact C-N 3.34Å; R986-A988 PolarHBondContact O-N 3.38Å; R986-L989 WeakPolarHBondContact O-CB 3.44Å; R986-L989 PolarHBondContact O-N 2.85Å; R986-L989 VanDerWaalsContact O-N 3.13Å; R986-V990 PolarHBondContact O-N 2.84Å; R986-L1029 HydrophobicContact CB-CD2 3.66Å; R986-L1029 HydrophobicContact CG-CD2 3.78Å; R986-L1029 PolarHBondContact NH1-O 3.24Å; R986-L1034 WeakPolarHBondContact CD-O 3.42Å; R986-L1034 PolarHBondContact NH1-O 3.42Å
987	D	96.9	Very high	96.5	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-38.8	179.9	-61.9	-44	0	0	0	110.6	S983 L989 V990 N991	S983-D987 VanDerWaalsContact C-OD2 3.25Å; S983-D987 PolarHBondContact O-N 2.68Å; S983-D987 PolarHBondContact OG-OD2 2.75Å; D987-L989 VanDerWaalsContact C-N 3.35Å; D987-L989 PolarHBondContact O-N 2.99Å; D987-V990 PolarHBondContact O-N 3.03Å; D987-N991 WeakPolarHBondContact O-CB 3.34Å; D987-N991 PolarHBondContact O-N 2.86Å; D987-N991 PolarHBondContact O-ND2 3.22Å
988	A	98.3	Very high	96.3	Very high	41 Å²	41	38.9 Å²	38.9	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-36.7	171	0	0	0	0	0	113.5	D984 R986 A992	D984-A988 WeakPolarHBondContact O-CB 3.48Å; D984-A988 PolarHBondContact O-N 2.64Å; R986-A988 VanDerWaalsContact C-N 3.34Å; R986-A988 PolarHBondContact O-N 3.38Å; A988-A992 WeakPolarHBondContact O-CB 3.43Å; A988-A992 PolarHBondContact O-N 3.34Å
989	L	98.4	Very high	96.3	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-39.7	175.5	-71.3	172.1	0	0	0	112.3	L969 A973 A985 R986 D987 V993 I1025 L1028 L1029 L1034	L969-L989 HydrophobicContact CB-CD2 3.8Å; A973-L989 HydrophobicContact CB-CD1 3.75Å; A973-L989 HydrophobicContact CB-CD2 4.05Å; A973-L989 HydrophobicContact CB-CG 3.89Å; A985-L989 WeakPolarHBondContact O-CG 3.08Å; A985-L989 PolarHBondContact O-N 2.89Å; R986-L989 WeakPolarHBondContact O-CB 3.44Å; R986-L989 PolarHBondContact O-N 2.85Å; R986-L989 VanDerWaalsContact O-N 3.13Å; D987-L989 VanDerWaalsContact C-N 3.35Å; D987-L989 PolarHBondContact O-N 2.99Å; L989-V993 PolarHBondContact O-N 2.95Å; L989-I1025 HydrophobicContact CB-CG2 4.19Å; L989-I1025 HydrophobicContact CD2-CD1 3.93Å; L989-L1028 HydrophobicContact CD1-CD2 3.64Å; L989-L1028 HydrophobicContact CD1-CG 3.86Å; L989-L1028 HydrophobicContact CD2-CD2 3.75Å; L989-L1028 HydrophobicContact CG-CD2 4.35Å; L989-L1029 HydrophobicContact CB-CD2 4.37Å; L989-L1029 HydrophobicContact CD1-CD2 4.22Å; L989-L1034 HydrophobicContact CD1-CD1 3.71Å
990	V	98.2	Very high	96.2	Very high	17 Å²	17	31 Å²	31	10%	0.103	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-46.5	173.4	177.9	0	0	0	0	110.2	R986 D987 A992 V993 V994 L1029 F1205 I1209	R986-V990 PolarHBondContact O-N 2.84Å; D987-V990 PolarHBondContact O-N 3.03Å; V990-A992 VanDerWaalsContact C-N 3.32Å; V990-A992 PolarHBondContact O-N 3.02Å; V990-V993 WeakPolarHBondContact O-CB 3.12Å; V990-V993 PolarHBondContact O-N 3.33Å; V990-V994 HydrophobicContact CG1-CG2 4.35Å; V990-V994 PolarHBondContact O-N 3.41Å; V990-L1029 HydrophobicContact CG2-CD1 3.79Å; V990-F1205 HydrophobicContact CG2-CE2 4.21Å; V990-I1209 HydrophobicContact CG1-CD1 3.99Å
991	N	98.1	Very high	95.9	Very high	81 Å²	81	30.9 Å²	30.9	43%	0.433	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-36.5	179.3	-68.3	-16.9	0	0	0	112.1	D987 V993 V994 D995	D987-N991 WeakPolarHBondContact O-CB 3.34Å; D987-N991 PolarHBondContact O-N 2.86Å; D987-N991 PolarHBondContact O-ND2 3.22Å; N991-V993 PolarHBondContact O-N 3.14Å; N991-V994 PolarHBondContact O-N 3.25Å; N991-V994 VanDerWaalsContact O-N 3.16Å; N991-D995 VanDerWaalsContact O-CB 3.27Å; N991-D995 WeakPolarHBondContact O-CB 3.47Å; N991-D995 PolarHBondContact O-N 3.12Å
992	A	98.4	Very high	95.6	Very high	18 Å²	18	33.5 Å²	33.5	15%	0.149	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-31	173.4	0	0	0	0	0	113	L969 A988 V990 F996	L969-A992 HydrophobicContact CD1-CB 4.29Å; L969-A992 HydrophobicContact CD2-CB 4.35Å; A988-A992 WeakPolarHBondContact O-CB 3.43Å; A988-A992 PolarHBondContact O-N 3.34Å; V990-A992 VanDerWaalsContact C-N 3.32Å; V990-A992 PolarHBondContact O-N 3.02Å; A992-F996 VanDerWaalsContact O-CB 3.27Å; A992-F996 WeakPolarHBondContact O-CB 3.47Å; A992-F996 PolarHBondContact O-N 3.41Å
993	V	98.4	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-76.3	-48.5	171.5	-179.5	0	0	0	0	111.1	L989 V990 N991 D995 F996 V997 F1021 P1022 I1025 I1209	L989-V993 PolarHBondContact O-N 2.95Å; V990-V993 WeakPolarHBondContact O-CB 3.12Å; V990-V993 PolarHBondContact O-N 3.33Å; N991-V993 PolarHBondContact O-N 3.14Å; V993-D995 PolarHBondContact O-N 3.41Å; V993-F996 PolarHBondContact O-N 2.82Å; V993-V997 HydrophobicContact CG1-CG2 4.19Å; V993-V997 WeakPolarHBondContact O-CG2 3.4Å; V993-V997 PolarHBondContact O-N 3.22Å; V993-F1021 HydrophobicContact CB-CE1 4.46Å; V993-F1021 HydrophobicContact CG2-CD1 4.28Å; V993-F1021 HydrophobicContact CG2-CE1 3.93Å; V993-F1021 HydrophobicContact CG2-CZ 4.22Å; V993-P1022 HydrophobicContact CG1-CB 4.09Å; V993-P1022 HydrophobicContact CG1-CG 3.89Å; V993-I1025 HydrophobicContact CG2-CB 3.82Å; V993-I1025 HydrophobicContact CG2-CG1 3.68Å; V993-I1025 HydrophobicContact CG2-CG2 3.77Å; V993-I1209 HydrophobicContact CB-CD1 3.89Å; V993-I1209 HydrophobicContact CG1-CD1 3.73Å; V993-I1209 HydrophobicContact CG1-CG1 3.99Å; V993-I1209 HydrophobicContact CG1-CG2 4.15Å
994	V	97.9	Very high	94	Very high	14 Å²	14	34.8 Å²	34.8	9%	0.085	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-47.4	-179	177.9	0	0	0	0	111.3	V990 N991 S998 I1209 Q1212 M1213	V990-V994 HydrophobicContact CG1-CG2 4.35Å; V990-V994 PolarHBondContact O-N 3.41Å; N991-V994 PolarHBondContact O-N 3.25Å; N991-V994 VanDerWaalsContact O-N 3.16Å; V994-S998 VanDerWaalsContact O-CB 3.23Å; V994-S998 WeakPolarHBondContact O-CB 3.42Å; V994-S998 PolarHBondContact O-N 3.32Å; V994-S998 PolarHBondContact O-OG 2.98Å; V994-I1209 HydrophobicContact CG2-CD1 3.62Å; V994-I1209 HydrophobicContact CG2-CG2 4.46Å; V994-Q1212 HydrophobicContact CG1-CB 4.01Å; V994-Q1212 HydrophobicContact CG2-CB 3.71Å; V994-Q1212 HydrophobicContact CG2-CG 4.32Å; V994-M1213 HydrophobicContact CG1-CG 4.15Å
995	D	97.1	Very high	92.8	Very high	61 Å²	61	32.6 Å²	32.6	33%	0.326	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-48.3	177.7	-86.2	14.1	0	0	0	111.7	R525 N991 V993 S998 A999	R525-D995 HydrophobicContact CB-CB 3.9Å; R525-D995 HydrophobicContact CG-CB 3.89Å; R525-D995 IonicContact CZ-OD2 3.64Å; R525-D995 IonicContact NE-OD2 3.93Å; R525-D995 IonicContact NH1-OD2 2.68Å; R525-D995 PolarHBondContact NH1-OD2 3.15Å; N991-D995 VanDerWaalsContact O-CB 3.27Å; N991-D995 WeakPolarHBondContact O-CB 3.47Å; N991-D995 PolarHBondContact O-N 3.12Å; V993-D995 PolarHBondContact O-N 3.41Å; D995-S998 PolarHBondContact O-N 2.96Å; D995-A999 VanDerWaalsContact O-CB 3.28Å; D995-A999 WeakPolarHBondContact O-CB 3.42Å; D995-A999 PolarHBondContact O-N 2.92Å
996	F	97.3	Very high	91.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-51.6	179.4	163.9	-108.6	0	0	0	112.3	L526 Y957 A992 V993 S998 A999 Y1000 V1014 P1015 M1018 F1021	L526-F996 HydrophobicContact CD1-CD2 4.37Å; L526-F996 HydrophobicContact CD1-CE2 4.28Å; L526-F996 HydrophobicContact CD2-CB 4.31Å; L526-F996 HydrophobicContact CD2-CD2 3.55Å; L526-F996 HydrophobicContact CD2-CE2 4.12Å; L526-F996 HydrophobicContact CD2-CG 4.03Å; L526-F996 HydrophobicContact CG-CD2 4.03Å; L526-F996 HydrophobicContact CG-CE2 4.44Å; Y957-F996 HydrophobicContact CD1-CD2 4.45Å; Y957-F996 AromaticContact CD1-CE2 3.77Å; Y957-F996 HydrophobicContact CD1-CE2 3.77Å; Y957-F996 AromaticContact CE1-CD2 3.84Å; Y957-F996 HydrophobicContact CE1-CD2 3.84Å; Y957-F996 AromaticContact CE1-CE2 3.56Å; Y957-F996 HydrophobicContact CE1-CE2 3.56Å; A992-F996 VanDerWaalsContact O-CB 3.27Å; A992-F996 WeakPolarHBondContact O-CB 3.47Å; A992-F996 PolarHBondContact O-N 3.41Å; V993-F996 PolarHBondContact O-N 2.82Å; F996-S998 VanDerWaalsContact C-N 3.28Å; F996-S998 PolarHBondContact O-N 3Å; F996-A999 PolarHBondContact O-N 3.06Å; F996-Y1000 PolarHBondContact O-N 3.47Å; F996-V1014 HydrophobicContact CE1-CB 4.32Å; F996-V1014 HydrophobicContact CE1-CG1 3.95Å; F996-P1015 HydrophobicContact CZ-CG 4.23Å; F996-M1018 HydrophobicContact CE1-CB 3.79Å; F996-M1018 HydrophobicContact CE1-CE 4.25Å; F996-M1018 HydrophobicContact CE1-CG 4.32Å; F996-M1018 HydrophobicContact CE2-CB 4.49Å; F996-M1018 HydrophobicContact CE2-CE 4.28Å; F996-M1018 HydrophobicContact CE2-CG 4.19Å; F996-M1018 HydrophobicContact CZ-CB 3.47Å; F996-M1018 VanDerWaalsContact CZ-CB 3.47Å; F996-M1018 HydrophobicContact CZ-CE 4.1Å; F996-M1018 HydrophobicContact CZ-CG 3.63Å; F996-F1021 HydrophobicContact CB-CE1 4.08Å; F996-F1021 AromaticContact CD1-CD1 3.64Å; F996-F1021 HydrophobicContact CD1-CD1 3.64Å; F996-F1021 AromaticContact CD1-CE1 3.97Å; F996-F1021 HydrophobicContact CD1-CE1 3.97Å; F996-F1021 HydrophobicContact CE1-CD1 4.11Å; F996-F1021 HydrophobicContact CG-CD1 4.25Å; F996-F1021 HydrophobicContact CG-CE1 4.16Å
997	V	95.3	Very high	89.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.1	-35.6	-178.5	-171.4	0	0	0	0	110.2	V993 K1001 V1012 V1013 V1014 M1213	V993-V997 HydrophobicContact CG1-CG2 4.19Å; V993-V997 WeakPolarHBondContact O-CG2 3.4Å; V993-V997 PolarHBondContact O-N 3.22Å; V997-K1001 WeakPolarHBondContact O-CB 3.3Å; V997-K1001 PolarHBondContact O-N 3.07Å; V997-V1012 HydrophobicContact CG1-CG1 3.97Å; V997-V1012 HydrophobicContact CG2-CG1 4.23Å; V997-V1013 WeakPolarHBondContact CG1-O 3.41Å; V997-V1014 HydrophobicContact CG1-CG1 4.22Å; V997-V1014 HydrophobicContact CG2-CG1 3.82Å; V997-M1213 HydrophobicContact CB-CE 4.04Å; V997-M1213 HydrophobicContact CB-SD 3.81Å; V997-M1213 HydrophobicContact CG1-CE 3.48Å; V997-M1213 VanDerWaalsContact CG1-CE 3.48Å; V997-M1213 HydrophobicContact CG1-SD 3.56Å; V997-M1213 VanDerWaalsContact CG1-SD 3.56Å
998	S	93.7	Very high	87.8	Confident	40 Å²	40	47.7 Å²	47.7	28%	0.28	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-41.5	174.9	-57.5	0	0	0	0	112.4	V994 D995 F996 S1002	V994-S998 VanDerWaalsContact O-CB 3.23Å; V994-S998 WeakPolarHBondContact O-CB 3.42Å; V994-S998 PolarHBondContact O-N 3.32Å; V994-S998 PolarHBondContact O-OG 2.98Å; D995-S998 PolarHBondContact O-N 2.96Å; F996-S998 VanDerWaalsContact C-N 3.28Å; F996-S998 PolarHBondContact O-N 3Å; S998-S1002 VanDerWaalsContact O-CB 3.28Å; S998-S1002 WeakPolarHBondContact O-CB 3.28Å; S998-S1002 PolarHBondContact O-N 3.5Å; S998-S1002 PolarHBondContact O-OG 2.83Å
999	A	93.8	Very high	86	Confident	10 Å²	10	49.5 Å²	49.5	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-45.2	176	0	0	0	0	0	112.1	K523 R525 Y957 D995 F996 S1002 S1003	K523-A999 WeakPolarHBondContact O-CB 3.26Å; R525-A999 HydrophobicContact CB-CB 4.37Å; R525-A999 HydrophobicContact CG-CB 4.01Å; Y957-A999 WeakPolarHBondContact OH-CB 3.45Å; D995-A999 VanDerWaalsContact O-CB 3.28Å; D995-A999 WeakPolarHBondContact O-CB 3.42Å; D995-A999 PolarHBondContact O-N 2.92Å; F996-A999 PolarHBondContact O-N 3.06Å; A999-S1002 PolarHBondContact O-OG 2.82Å; A999-S1003 VanDerWaalsContact O-CB 3.24Å; A999-S1003 WeakPolarHBondContact O-CB 3.35Å; A999-S1003 PolarHBondContact O-N 2.69Å; A999-S1003 VanDerWaalsContact O-N 3.1Å; A999-S1003 PolarHBondContact O-OG 3.46Å
1000	Y	92.7	Very high	84.7	Confident	4 Å²	4	54 Å²	54	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-46.6	174.5	179.1	-102.9	0	0	0	112.1	Y957 F996 S1002 S1003 V1004 S1005 V1013 P1015	Y957-Y1000 AromaticContact CD2-CD2 3.64Å; Y957-Y1000 HydrophobicContact CD2-CD2 3.64Å; Y957-Y1000 HydrophobicContact CD2-CE2 4.32Å; Y957-Y1000 AromaticContact CE2-CD2 3.71Å; Y957-Y1000 HydrophobicContact CE2-CD2 3.71Å; Y957-Y1000 HydrophobicContact CE2-CG 4.39Å; Y957-Y1000 HydrophobicContact CG-CD2 4.46Å; Y957-Y1000 PolarHBondContact OH-N 3.15Å; F996-Y1000 PolarHBondContact O-N 3.47Å; Y1000-S1002 PolarHBondContact O-N 2.95Å; Y1000-S1003 PolarHBondContact O-N 2.99Å; Y1000-V1004 HydrophobicContact CD2-CB 3.88Å; Y1000-V1004 HydrophobicContact CD2-CG1 4.24Å; Y1000-V1004 HydrophobicContact CD2-CG2 4.28Å; Y1000-V1004 HydrophobicContact CE2-CB 3.84Å; Y1000-V1004 HydrophobicContact CE2-CG1 3.71Å; Y1000-V1004 PolarHBondContact O-N 3.35Å; Y1000-S1005 PolarHBondContact O-N 3.23Å; Y1000-S1005 VanDerWaalsContact O-N 3.08Å; Y1000-V1013 WeakPolarHBondContact CD1-O 3.5Å; Y1000-V1013 HydrophobicContact CE1-CG1 4.38Å; Y1000-P1015 HydrophobicContact CD2-CG 4Å; Y1000-P1015 HydrophobicContact CE2-CB 3.82Å; Y1000-P1015 HydrophobicContact CE2-CG 3.77Å
1001	K	88.1	Confident	84.1	Confident	72 Å²	72	53.3 Å²	53.3	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-39.4	-178.9	-172.5	169.4	-172.1	165.6	0	112.7	V997 Q1009 G1011 M1213	V997-K1001 WeakPolarHBondContact O-CB 3.3Å; V997-K1001 PolarHBondContact O-N 3.07Å; K1001-Q1009 PolarHBondContact NZ-O 3.29Å; K1001-Q1009 VanDerWaalsContact NZ-O 3.09Å; K1001-G1011 PolarHBondContact NZ-O 3.24Å; K1001-M1213 HydrophobicContact CB-CE 4.45Å; K1001-M1213 HydrophobicContact CD-CE 3.87Å
1002	S	86.8	Confident	83.7	Confident	95 Å²	95	49.5 Å²	49.5	66%	0.664	28%	0.281	S	S	*	.	H	α-helix	trans	-79.4	-26.8	-179.3	58	0	0	0	0	114.6	S998 A999 Y1000	S998-S1002 VanDerWaalsContact O-CB 3.28Å; S998-S1002 WeakPolarHBondContact O-CB 3.28Å; S998-S1002 PolarHBondContact O-N 3.5Å; S998-S1002 PolarHBondContact O-OG 2.83Å; A999-S1002 PolarHBondContact O-OG 2.82Å; Y1000-S1002 PolarHBondContact O-N 2.95Å
1003	S	79.8	Confident	83.5	Confident	48 Å²	48	48.7 Å²	48.7	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-118.4	-10.9	-167.9	-60.5	0	0	0	0	116	K523 A999 Y1000	K523-S1003 WeakPolarHBondContact CE-OG 3.44Å; K523-S1003 PolarHBondContact NZ-OG 3.49Å; A999-S1003 VanDerWaalsContact O-CB 3.24Å; A999-S1003 WeakPolarHBondContact O-CB 3.35Å; A999-S1003 PolarHBondContact O-N 2.69Å; A999-S1003 VanDerWaalsContact O-N 3.1Å; A999-S1003 PolarHBondContact O-OG 3.46Å; Y1000-S1003 PolarHBondContact O-N 2.99Å
1004	V	76	Confident	83.3	Confident	43 Å²	43	48.7 Å²	48.7	26%	0.261	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	-40	-177	-174.9	0	0	0	0	112.3	L953 Y957 Y1000 N1006	L953-V1004 HydrophobicContact CD2-CG2 4.28Å; L953-V1004 HydrophobicContact CG-CG2 4.23Å; Y957-V1004 HydrophobicContact CD2-CG2 4.02Å; Y957-V1004 HydrophobicContact CE2-CG2 3.88Å; Y1000-V1004 HydrophobicContact CD2-CB 3.88Å; Y1000-V1004 HydrophobicContact CD2-CG1 4.24Å; Y1000-V1004 HydrophobicContact CD2-CG2 4.28Å; Y1000-V1004 HydrophobicContact CE2-CB 3.84Å; Y1000-V1004 HydrophobicContact CE2-CG1 3.71Å; Y1000-V1004 PolarHBondContact O-N 3.35Å; V1004-N1006 PolarHBondContact O-N 2.95Å
1005	S	69.3	Low	83.1	Confident	15 Å²	15	48 Å²	48	11%	0.105	27%	0.27	C	S	.	.			trans	-75.7	92.8	-179.8	178.3	0	0	0	0	112.8	Y1000 L1007	Y1000-S1005 PolarHBondContact O-N 3.23Å; Y1000-S1005 VanDerWaalsContact O-N 3.08Å; S1005-L1007 PolarHBondContact O-N 3.43Å
1006	N	64.8	Low	83	Confident	161 Å²	161	45.6 Å²	45.6	86%	0.861	26%	0.259	S	S	*	.			trans	-62.5	-3.7	169.5	-72.8	-39.4	0	0	0	114.6	V1004	V1004-N1006 PolarHBondContact O-N 2.95Å
1007	L	62.3	Low	82.8	Confident	73 Å²	73	46.9 Å²	46.9	38%	0.382	27%	0.269	S	S	.	.			trans	-86.8	122.3	-179.3	-73.8	78.3	0	0	0	111.5	S1005 Q1009	S1005-L1007 PolarHBondContact O-N 3.43Å; L1007-Q1009 HydrophobicContact CB-CB 4.4Å; L1007-Q1009 HydrophobicContact CB-CG 4.18Å; L1007-Q1009 HydrophobicContact CD2-CG 4.1Å; L1007-Q1009 PolarHBondContact O-N 3.48Å
1008	Q	60	Low	82.8	Confident	205 Å²	205	46.9 Å²	46.9	96%	0.958	27%	0.269	S	S	*	.			trans	-72.1	39.3	166	-65.8	-174.8	-19.1	0	0	112.7
1009	Q	60.8	Low	82.9	Confident	79 Å²	79	47.6 Å²	47.6	37%	0.369	27%	0.266	S	S	.	.			trans	-77	138.7	177.4	-81.3	-173.3	-1.7	0	0	111.8	K1001 L1007 V1013	K1001-Q1009 PolarHBondContact NZ-O 3.29Å; K1001-Q1009 VanDerWaalsContact NZ-O 3.09Å; L1007-Q1009 HydrophobicContact CB-CB 4.4Å; L1007-Q1009 HydrophobicContact CB-CG 4.18Å; L1007-Q1009 HydrophobicContact CD2-CG 4.1Å; L1007-Q1009 PolarHBondContact O-N 3.48Å; Q1009-V1013 HydrophobicContact CB-CG2 4.32Å
1010	S	71.1	Confident	83.1	Confident	97 Å²	97	47.2 Å²	47.2	68%	0.678	26%	0.263	S	S	*	.	S	Bend	trans	-76.7	140.2	165.2	-169.5	0	0	0	0	110.2	N473	N473-S1010 PolarHBondContact ND2-O 2.92Å; N473-S1010 VanDerWaalsContact ND2-O 3.13Å
1011	G	83.9	Confident	83.4	Confident	4 Å²	4	47.1 Å²	47.1	4%	0.041	26%	0.262	C	S	.	.	S	Bend	trans	114.7	-171.6	-179.4	0	0	0	0	0	114.8	K1001	K1001-G1011 PolarHBondContact NZ-O 3.24Å
1012	V	91.4	Very high	83.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.			trans	-96.8	100.5	-177.8	-176.3	0	0	0	0	108	N473 L474 L475 V997 L1206 I1209 Q1210	N473-V1012 WeakPolarHBondContact CA-O 3.39Å; L474-V1012 HydrophobicContact CD1-CG1 4.08Å; L474-V1012 PolarHBondContact N-O 3.44Å; L475-V1012 HydrophobicContact CD1-CG2 4.25Å; L475-V1012 HydrophobicContact CG-CG2 4.35Å; V997-V1012 HydrophobicContact CG1-CG1 3.97Å; V997-V1012 HydrophobicContact CG2-CG1 4.23Å; V1012-L1206 HydrophobicContact CG1-CD2 4.25Å; V1012-I1209 HydrophobicContact CG1-CG2 4.36Å; V1012-I1209 HydrophobicContact CG2-CG2 4.46Å; V1012-Q1210 HydrophobicContact CG2-CB 3.89Å
1013	V	92.6	Very high	84.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129	-175.6	-172.6	0	0	0	0	109.9	P471 V472 N473 V997 Y1000 Q1009	P471-V1013 HydrophobicContact CB-CG1 3.91Å; V472-V1013 WeakPolarHBondContact O-CA 3.41Å; N473-V1013 HydrophobicContact CB-CG2 4.24Å; V997-V1013 WeakPolarHBondContact CG1-O 3.41Å; Y1000-V1013 WeakPolarHBondContact CD1-O 3.5Å; Y1000-V1013 HydrophobicContact CE1-CG1 4.38Å; Q1009-V1013 HydrophobicContact CB-CG2 4.32Å
1014	V	95.1	Very high	85.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	161.7	-177.7	-61.1	0	0	0	0	110.6	P471 V472 L474 F996 V997 R1019	P471-V1014 WeakPolarHBondContact CA-O 3.42Å; V472-V1014 HydrophobicContact CB-CG2 4.41Å; V472-V1014 PolarHBondContact N-O 3.04Å; V472-V1014 PolarHBondContact O-N 2.95Å; L474-V1014 HydrophobicContact CD1-CG1 4.09Å; L474-V1014 HydrophobicContact CD1-CG2 3.83Å; L474-V1014 HydrophobicContact CD2-CG2 3.84Å; L474-V1014 HydrophobicContact CG-CG2 3.85Å; F996-V1014 HydrophobicContact CE1-CB 4.32Å; F996-V1014 HydrophobicContact CE1-CG1 3.95Å; V997-V1014 HydrophobicContact CG1-CG1 4.22Å; V997-V1014 HydrophobicContact CG2-CG1 3.82Å; V1014-R1019 HydrophobicContact CG2-CB 4.48Å
1015	P	94.4	Very high	86.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	150.8	168.2	30.6	-31.3	0	0	0	110.3	L469 F996 Y1000 A1017 M1018 R1019	L469-P1015 HydrophobicContact CD2-CB 4.18Å; F996-P1015 HydrophobicContact CZ-CG 4.23Å; Y1000-P1015 HydrophobicContact CD2-CG 4Å; Y1000-P1015 HydrophobicContact CE2-CB 3.82Å; Y1000-P1015 HydrophobicContact CE2-CG 3.77Å; P1015-A1017 VanDerWaalsContact C-N 3.27Å; P1015-A1017 PolarHBondContact O-N 2.87Å; P1015-M1018 HydrophobicContact CG-CB 4.25Å; P1015-M1018 HydrophobicContact CG-CG 4.45Å; P1015-M1018 PolarHBondContact O-N 2.88Å; P1015-R1019 PolarHBondContact O-N 3.46Å
1016	A	93.1	Very high	87.7	Confident	10 Å²	10	34.9 Å²	34.9	8%	0.083	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57.4	-35	-174.8	0	0	0	0	0	113.9	E467 A468 R470 V472 M1018 R1019	E467-A1016 VanDerWaalsContact O-CB 3.28Å; E467-A1016 WeakPolarHBondContact O-CB 3.35Å; A468-A1016 PolarHBondContact O-N 2.64Å; A468-A1016 VanDerWaalsContact O-N 3.12Å; R470-A1016 HydrophobicContact CB-CB 4.38Å; R470-A1016 PolarHBondContact O-N 2.75Å; V472-A1016 HydrophobicContact CG2-CB 4.01Å; A1016-M1018 PolarHBondContact O-N 3.21Å; A1016-M1018 VanDerWaalsContact O-N 3.16Å; A1016-R1019 WeakPolarHBondContact O-CB 3.35Å; A1016-R1019 WeakPolarHBondContact O-CD 3.43Å; A1016-R1019 WeakPolarHBondContact O-CG 3.37Å; A1016-R1019 PolarHBondContact O-N 2.83Å; A1016-R1019 VanDerWaalsContact O-N 3.15Å
1017	A	94	Very high	89.3	Confident	27 Å²	27	27.2 Å²	27.2	22%	0.223	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-54.3	-32.2	174	0	0	0	0	0	113.1	A468 P1015	A468-A1017 HydrophobicContact CB-CB 4.39Å; A468-A1017 PolarHBondContact O-N 2.83Å; P1015-A1017 VanDerWaalsContact C-N 3.27Å; P1015-A1017 PolarHBondContact O-N 2.87Å
1018	M	96.1	Very high	91	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-107.3	12.5	-177.2	-67.1	-66.6	-78.2	0	0	113.4	L526 A960 V962 I965 F996 P1015 A1016 L1020 F1021	L526-M1018 HydrophobicContact CD1-CE 4.32Å; L526-M1018 HydrophobicContact CD2-CE 3.69Å; A960-M1018 HydrophobicContact CB-CG 3.94Å; A960-M1018 HydrophobicContact CB-SD 3.72Å; V962-M1018 HydrophobicContact CB-SD 3.78Å; V962-M1018 HydrophobicContact CG2-SD 4.03Å; I965-M1018 HydrophobicContact CD1-CE 3.87Å; I965-M1018 HydrophobicContact CD1-SD 3.9Å; F996-M1018 HydrophobicContact CE1-CB 3.79Å; F996-M1018 HydrophobicContact CE1-CE 4.25Å; F996-M1018 HydrophobicContact CE1-CG 4.32Å; F996-M1018 HydrophobicContact CE2-CB 4.49Å; F996-M1018 HydrophobicContact CE2-CE 4.28Å; F996-M1018 HydrophobicContact CE2-CG 4.19Å; F996-M1018 HydrophobicContact CZ-CB 3.47Å; F996-M1018 VanDerWaalsContact CZ-CB 3.47Å; F996-M1018 HydrophobicContact CZ-CE 4.1Å; F996-M1018 HydrophobicContact CZ-CG 3.63Å; P1015-M1018 HydrophobicContact CG-CB 4.25Å; P1015-M1018 HydrophobicContact CG-CG 4.45Å; P1015-M1018 PolarHBondContact O-N 2.88Å; A1016-M1018 PolarHBondContact O-N 3.21Å; A1016-M1018 VanDerWaalsContact O-N 3.16Å; M1018-L1020 PolarHBondContact O-N 3.47Å; M1018-L1020 VanDerWaalsContact O-N 3.09Å; M1018-F1021 HydrophobicContact CB-CB 4.4Å; M1018-F1021 HydrophobicContact CE-CB 3.76Å; M1018-F1021 HydrophobicContact CE-CD1 3.66Å; M1018-F1021 HydrophobicContact CE-CD2 4.01Å; M1018-F1021 HydrophobicContact CE-CE1 4.22Å; M1018-F1021 HydrophobicContact CE-CG 3.54Å; M1018-F1021 VanDerWaalsContact O-CB 3.29Å; M1018-F1021 WeakPolarHBondContact O-CB 3.38Å; M1018-F1021 PolarHBondContact O-N 3.48Å; M1018-F1021 HydrophobicContact SD-CB 4.46Å
1019	R	96.1	Very high	92.7	Very high	55 Å²	55	14.6 Å²	14.6	21%	0.208	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.2	-178.1	74.4	-169.7	171.1	133	0.6	114.7	V472 L474 L480 V1014 P1015 A1016	V472-R1019 HydrophobicContact CG2-CB 4.44Å; L474-R1019 HydrophobicContact CD2-CB 4.29Å; L480-R1019 HydrophobicContact CD2-CB 4.38Å; L480-R1019 PolarHBondContact O-NE 3.03Å; L480-R1019 PolarHBondContact O-NH1 3.16Å; L480-R1019 PolarHBondContact O-NH2 2.93Å; V1014-R1019 HydrophobicContact CG2-CB 4.48Å; P1015-R1019 PolarHBondContact O-N 3.46Å; A1016-R1019 WeakPolarHBondContact O-CB 3.35Å; A1016-R1019 WeakPolarHBondContact O-CD 3.43Å; A1016-R1019 WeakPolarHBondContact O-CG 3.37Å; A1016-R1019 PolarHBondContact O-N 2.83Å; A1016-R1019 VanDerWaalsContact O-N 3.15Å
1020	L	97.6	Very high	94.4	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.7	177.2	-61.2	179.2	0	0	0	113.7	L480 L481 L486 M1018 L1023 Y1024	L480-L1020 HydrophobicContact CB-CD2 3.97Å; L480-L1020 WeakPolarHBondContact O-CD2 3.43Å; L481-L1020 HydrophobicContact CD2-CD1 4.38Å; L481-L1020 HydrophobicContact CD2-CD2 3.9Å; L486-L1020 HydrophobicContact CD2-CD1 4.32Å; M1018-L1020 PolarHBondContact O-N 3.47Å; M1018-L1020 VanDerWaalsContact O-N 3.09Å; L1020-L1023 HydrophobicContact CD2-CD2 4.17Å; L1020-L1023 WeakPolarHBondContact O-CB 3.22Å; L1020-L1023 PolarHBondContact O-N 3.48Å; L1020-Y1024 HydrophobicContact CB-CD2 4.21Å; L1020-Y1024 HydrophobicContact CB-CE1 4.45Å; L1020-Y1024 HydrophobicContact CB-CE2 3.96Å; L1020-Y1024 HydrophobicContact CD1-CE2 4.3Å; L1020-Y1024 PolarHBondContact O-N 3.06Å
1021	F	98.3	Very high	95.6	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-61.7	-48	-171.7	-179.1	-130.8	0	0	0	113.2	V962 I965 L969 V993 F996 M1018 L1023 Y1024 I1025	V962-F1021 HydrophobicContact CG2-CB 3.72Å; V962-F1021 HydrophobicContact CG2-CD2 4.34Å; V962-F1021 HydrophobicContact CG2-CG 4.47Å; I965-F1021 HydrophobicContact CG2-CD2 4.3Å; I965-F1021 HydrophobicContact CG2-CE2 3.75Å; I965-F1021 HydrophobicContact CG2-CZ 4.26Å; L969-F1021 HydrophobicContact CD1-CE2 3.66Å; L969-F1021 HydrophobicContact CD1-CZ 3.77Å; V993-F1021 HydrophobicContact CB-CE1 4.46Å; V993-F1021 HydrophobicContact CG2-CD1 4.28Å; V993-F1021 HydrophobicContact CG2-CE1 3.93Å; V993-F1021 HydrophobicContact CG2-CZ 4.22Å; F996-F1021 HydrophobicContact CB-CE1 4.08Å; F996-F1021 AromaticContact CD1-CD1 3.64Å; F996-F1021 HydrophobicContact CD1-CD1 3.64Å; F996-F1021 AromaticContact CD1-CE1 3.97Å; F996-F1021 HydrophobicContact CD1-CE1 3.97Å; F996-F1021 HydrophobicContact CE1-CD1 4.11Å; F996-F1021 HydrophobicContact CG-CD1 4.25Å; F996-F1021 HydrophobicContact CG-CE1 4.16Å; M1018-F1021 HydrophobicContact CB-CB 4.4Å; M1018-F1021 HydrophobicContact CE-CB 3.76Å; M1018-F1021 HydrophobicContact CE-CD1 3.66Å; M1018-F1021 HydrophobicContact CE-CD2 4.01Å; M1018-F1021 HydrophobicContact CE-CE1 4.22Å; M1018-F1021 HydrophobicContact CE-CG 3.54Å; M1018-F1021 VanDerWaalsContact O-CB 3.29Å; M1018-F1021 WeakPolarHBondContact O-CB 3.38Å; M1018-F1021 PolarHBondContact O-N 3.48Å; M1018-F1021 HydrophobicContact SD-CB 4.46Å; F1021-L1023 VanDerWaalsContact C-N 3.3Å; F1021-L1023 PolarHBondContact O-N 3.31Å; F1021-Y1024 PolarHBondContact O-N 3.12Å; F1021-I1025 HydrophobicContact CD2-CG1 3.99Å; F1021-I1025 HydrophobicContact CE2-CD1 3.89Å; F1021-I1025 HydrophobicContact CE2-CG1 3.67Å; F1021-I1025 HydrophobicContact CZ-CD1 4.4Å; F1021-I1025 HydrophobicContact CZ-CG1 4.16Å; F1021-I1025 VanDerWaalsContact O-CG1 3.31Å; F1021-I1025 WeakPolarHBondContact O-CG1 3.19Å; F1021-I1025 PolarHBondContact O-N 3.15Å
1022	P	98	Very high	96.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66.7	-30.6	176.6	-21.9	36.9	0	0	0	113.1	L474 V993 L1026 Y1202 F1205 L1206	L474-P1022 HydrophobicContact CD1-CG 3.65Å; V993-P1022 HydrophobicContact CG1-CB 4.09Å; V993-P1022 HydrophobicContact CG1-CG 3.89Å; P1022-L1026 PolarHBondContact O-N 2.96Å; P1022-Y1202 HydrophobicContact CB-CE2 4.28Å; P1022-F1205 HydrophobicContact CB-CD1 4.49Å; P1022-F1205 HydrophobicContact CB-CE1 4.1Å; P1022-F1205 VanDerWaalsContact O-CE1 3.31Å; P1022-F1205 WeakPolarHBondContact O-CE1 3.32Å; P1022-L1206 HydrophobicContact CB-CD2 3.98Å; P1022-L1206 HydrophobicContact CG-CD2 4.39Å
1023	L	97.9	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.5	-48.5	177.2	173.9	57	0	0	0	111.1	L481 L1020 F1021 I1025 L1026 A1027 E1193 Y1202	L481-L1023 HydrophobicContact CD2-CD2 4.5Å; L1020-L1023 HydrophobicContact CD2-CD2 4.17Å; L1020-L1023 WeakPolarHBondContact O-CB 3.22Å; L1020-L1023 PolarHBondContact O-N 3.48Å; F1021-L1023 VanDerWaalsContact C-N 3.3Å; F1021-L1023 PolarHBondContact O-N 3.31Å; L1023-I1025 VanDerWaalsContact C-N 3.32Å; L1023-I1025 PolarHBondContact O-N 3.22Å; L1023-L1026 PolarHBondContact O-N 3.01Å; L1023-A1027 PolarHBondContact O-N 3.34Å; L1023-E1193 HydrophobicContact CD1-CG 3.52Å; L1023-Y1202 HydrophobicContact CB-CD2 4.27Å; L1023-Y1202 HydrophobicContact CB-CE2 3.76Å; L1023-Y1202 HydrophobicContact CD1-CD2 4.06Å; L1023-Y1202 HydrophobicContact CD1-CE2 4.39Å; L1023-Y1202 HydrophobicContact CD1-CG 4.39Å
1024	Y	98.5	Very high	96.4	Very high	14 Å²	14	11.7 Å²	11.7	6%	0.055	6%	0.057	C	C	.	.	H	α-helix	trans	-65.3	-33.3	176.6	-69.9	-17.2	0	0	0	112.8	V962 Q963 L1020 F1021 A1027 L1028 M1061 H1065	V962-Y1024 HydrophobicContact CG1-CE2 4.31Å; V962-Y1024 HydrophobicContact CG2-CD2 4.12Å; V962-Y1024 HydrophobicContact CG2-CE2 4.45Å; Q963-Y1024 HydrophobicContact CG-CE2 4.18Å; L1020-Y1024 HydrophobicContact CB-CD2 4.21Å; L1020-Y1024 HydrophobicContact CB-CE1 4.45Å; L1020-Y1024 HydrophobicContact CB-CE2 3.96Å; L1020-Y1024 HydrophobicContact CD1-CE2 4.3Å; L1020-Y1024 PolarHBondContact O-N 3.06Å; F1021-Y1024 PolarHBondContact O-N 3.12Å; Y1024-A1027 PolarHBondContact O-N 3.03Å; Y1024-L1028 WeakPolarHBondContact O-CB 3.09Å; Y1024-L1028 PolarHBondContact O-N 2.77Å; Y1024-M1061 HydrophobicContact CD1-CE 4.02Å; Y1024-M1061 HydrophobicContact CD2-CE 3.77Å; Y1024-M1061 HydrophobicContact CE1-CE 3.74Å; Y1024-M1061 HydrophobicContact CE2-CE 3.48Å; Y1024-M1061 VanDerWaalsContact CE2-CE 3.48Å; Y1024-M1061 HydrophobicContact CG-CE 4.03Å; Y1024-M1061 VanDerWaalsContact CZ-CE 3.45Å; Y1024-H1065 HydrophobicContact CD1-CB 4.16Å; Y1024-H1065 HydrophobicContact CE1-CB 4.07Å; Y1024-H1065 AromaticContact CE1-CD2 3.92Å; Y1024-H1065 AromaticContact CE1-CG 3.95Å
1025	I	98.5	Very high	96.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69	-39.9	172.6	-67.1	-69.2	0	0	0	111.6	L969 L989 V993 F1021 L1023 L1028 L1029 F1205	L969-I1025 HydrophobicContact CD1-CD1 4.13Å; L989-I1025 HydrophobicContact CB-CG2 4.19Å; L989-I1025 HydrophobicContact CD2-CD1 3.93Å; V993-I1025 HydrophobicContact CG2-CB 3.82Å; V993-I1025 HydrophobicContact CG2-CG1 3.68Å; V993-I1025 HydrophobicContact CG2-CG2 3.77Å; F1021-I1025 HydrophobicContact CD2-CG1 3.99Å; F1021-I1025 HydrophobicContact CE2-CD1 3.89Å; F1021-I1025 HydrophobicContact CE2-CG1 3.67Å; F1021-I1025 HydrophobicContact CZ-CD1 4.4Å; F1021-I1025 HydrophobicContact CZ-CG1 4.16Å; F1021-I1025 VanDerWaalsContact O-CG1 3.31Å; F1021-I1025 WeakPolarHBondContact O-CG1 3.19Å; F1021-I1025 PolarHBondContact O-N 3.15Å; L1023-I1025 VanDerWaalsContact C-N 3.32Å; L1023-I1025 PolarHBondContact O-N 3.22Å; I1025-L1028 HydrophobicContact CD1-CD2 4.34Å; I1025-L1028 WeakPolarHBondContact O-CB 3.49Å; I1025-L1028 PolarHBondContact O-N 2.59Å; I1025-L1029 HydrophobicContact CG2-CD1 4.13Å; I1025-L1029 VanDerWaalsContact O-CG 3.29Å; I1025-L1029 WeakPolarHBondContact O-CG 3.34Å; I1025-L1029 PolarHBondContact O-N 2.73Å; I1025-F1205 HydrophobicContact CG2-CZ 4.14Å
1026	L	98.1	Very high	96.2	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-42.1	172.7	179.2	61.2	0	0	0	112.1	P1022 L1023 L1028 L1029 K1030 Y1202 F1205	P1022-L1026 PolarHBondContact O-N 2.96Å; L1023-L1026 PolarHBondContact O-N 3.01Å; L1026-L1028 VanDerWaalsContact C-N 3.28Å; L1026-L1028 PolarHBondContact O-N 3.09Å; L1026-L1029 PolarHBondContact O-N 3.08Å; L1026-K1030 HydrophobicContact CD1-CD 4.5Å; L1026-K1030 HydrophobicContact CG-CD 4.47Å; L1026-K1030 PolarHBondContact O-N 2.97Å; L1026-K1030 VanDerWaalsContact O-N 3.13Å; L1026-Y1202 VanDerWaalsContact CD2-CA 3.43Å; L1026-Y1202 HydrophobicContact CD2-CD2 4.09Å; L1026-F1205 HydrophobicContact CB-CD1 3.97Å; L1026-F1205 HydrophobicContact CB-CE1 4.24Å; L1026-F1205 HydrophobicContact CB-CG 4.32Å; L1026-F1205 HydrophobicContact CD1-CB 4.2Å; L1026-F1205 HydrophobicContact CD1-CD2 4.25Å; L1026-F1205 HydrophobicContact CD1-CG 4.11Å; L1026-F1205 HydrophobicContact CD2-CB 4.02Å; L1026-F1205 HydrophobicContact CD2-CG 4.39Å
1027	A	97.8	Very high	95.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.5	-42.4	173.9	0	0	0	0	0	111.2	L1023 Y1024 L1029 K1030 Q1031 L1064 V1192	L1023-A1027 PolarHBondContact O-N 3.34Å; Y1024-A1027 PolarHBondContact O-N 3.03Å; A1027-L1029 PolarHBondContact O-N 3.06Å; A1027-K1030 CarbonylContact O-C 3.37Å; A1027-K1030 WeakPolarHBondContact O-CA 3.17Å; A1027-K1030 PolarHBondContact O-N 3.5Å; A1027-Q1031 PolarHBondContact O-N 2.91Å; A1027-L1064 HydrophobicContact CB-CD1 3.91Å; A1027-L1064 HydrophobicContact CB-CG 4.24Å; A1027-V1192 HydrophobicContact CB-CB 4.11Å; A1027-V1192 HydrophobicContact CB-CG1 4.24Å; A1027-V1192 HydrophobicContact CB-CG2 3.85Å
1028	L	97.5	Very high	95.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-65	-38.9	178.6	-175.9	57.1	0	0	0	111.8	A970 L989 Y1024 I1025 L1026 K1030 Q1031 L1034 F1052 L1064	A970-L1028 HydrophobicContact CB-CD1 3.69Å; A970-L1028 HydrophobicContact CB-CD2 3.77Å; A970-L1028 HydrophobicContact CB-CG 4.4Å; L989-L1028 HydrophobicContact CD1-CD2 3.64Å; L989-L1028 HydrophobicContact CD1-CG 3.86Å; L989-L1028 HydrophobicContact CD2-CD2 3.75Å; L989-L1028 HydrophobicContact CG-CD2 4.35Å; Y1024-L1028 WeakPolarHBondContact O-CB 3.09Å; Y1024-L1028 PolarHBondContact O-N 2.77Å; I1025-L1028 HydrophobicContact CD1-CD2 4.34Å; I1025-L1028 WeakPolarHBondContact O-CB 3.49Å; I1025-L1028 PolarHBondContact O-N 2.59Å; L1026-L1028 VanDerWaalsContact C-N 3.28Å; L1026-L1028 PolarHBondContact O-N 3.09Å; L1028-K1030 PolarHBondContact O-N 2.85Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.48Å; L1028-Q1031 PolarHBondContact O-N 2.83Å; L1028-L1034 HydrophobicContact CD1-CD1 3.8Å; L1028-L1034 HydrophobicContact CG-CD1 3.84Å; L1028-F1052 HydrophobicContact CD1-CE1 3.95Å; L1028-F1052 HydrophobicContact CD1-CZ 4.2Å; L1028-L1064 VanDerWaalsContact CA-CD1 3.43Å; L1028-L1064 HydrophobicContact CB-CD1 3.75Å; L1028-L1064 HydrophobicContact CD1-CD1 4.11Å; L1028-L1064 VanDerWaalsContact N-CD1 3.33Å
1029	L	96.8	Very high	95.5	Very high	10 Å²	10	18.8 Å²	18.8	5%	0.052	10%	0.101	C	C	.	.	H	α-helix	trans	-69	-15.1	173.2	-67.6	169	0	0	0	113.7	R986 L989 V990 I1025 L1026 A1027 F1205	R986-L1029 HydrophobicContact CB-CD2 3.66Å; R986-L1029 HydrophobicContact CG-CD2 3.78Å; R986-L1029 PolarHBondContact NH1-O 3.24Å; L989-L1029 HydrophobicContact CB-CD2 4.37Å; L989-L1029 HydrophobicContact CD1-CD2 4.22Å; V990-L1029 HydrophobicContact CG2-CD1 3.79Å; I1025-L1029 HydrophobicContact CG2-CD1 4.13Å; I1025-L1029 VanDerWaalsContact O-CG 3.29Å; I1025-L1029 WeakPolarHBondContact O-CG 3.34Å; I1025-L1029 PolarHBondContact O-N 2.73Å; L1026-L1029 PolarHBondContact O-N 3.08Å; A1027-L1029 PolarHBondContact O-N 3.06Å; L1029-F1205 HydrophobicContact CD1-CE2 4.03Å; L1029-F1205 HydrophobicContact CD1-CZ 4.29Å
1030	K	96.1	Very high	95.3	Very high	27 Å²	27	16.5 Å²	16.5	12%	0.117	9%	0.093	C	C	.	.	H	α-helix	trans	-101	-12.7	173.8	-71.6	178.1	178.9	173.2	0	113.6	L1026 A1027 L1028 R1035 V1192 D1194 A1199 S1200	L1026-K1030 HydrophobicContact CD1-CD 4.5Å; L1026-K1030 HydrophobicContact CG-CD 4.47Å; L1026-K1030 PolarHBondContact O-N 2.97Å; L1026-K1030 VanDerWaalsContact O-N 3.13Å; A1027-K1030 CarbonylContact O-C 3.37Å; A1027-K1030 WeakPolarHBondContact O-CA 3.17Å; A1027-K1030 PolarHBondContact O-N 3.5Å; L1028-K1030 PolarHBondContact O-N 2.85Å; K1030-R1035 WeakPolarHBondContact O-CB 3.39Å; K1030-R1035 WeakPolarHBondContact O-CD 3.42Å; K1030-V1192 HydrophobicContact CB-CG1 4.4Å; K1030-V1192 HydrophobicContact CD-CB 4.21Å; K1030-V1192 HydrophobicContact CD-CG1 4.49Å; K1030-V1192 WeakPolarHBondContact CD-O 3.27Å; K1030-V1192 PolarHBondContact NZ-O 3.31Å; K1030-D1194 PolarHBondContact NZ-O 2.8Å; K1030-A1199 HydrophobicContact CD-CB 4.47Å; K1030-A1199 HydrophobicContact CG-CB 4.03Å; K1030-S1200 WeakPolarHBondContact CE-O 3.11Å; K1030-S1200 PolarHBondContact NZ-O 3.5Å
1031	Q	95.4	Very high	95.2	Very high	25 Å²	25	20.5 Å²	20.5	12%	0.117	11%	0.108	C	C	.	.	S	Bend	trans	-66.3	144.1	-179.1	-145.9	-72.6	-22.2	0	0	111.7	A1027 L1028 A1033 L1034 R1035 F1052 L1064	A1027-Q1031 PolarHBondContact O-N 2.91Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.48Å; L1028-Q1031 PolarHBondContact O-N 2.83Å; Q1031-A1033 PolarHBondContact O-N 3.49Å; Q1031-A1033 VanDerWaalsContact O-N 3.07Å; Q1031-L1034 PolarHBondContact O-N 2.74Å; Q1031-R1035 WeakPolarHBondContact O-CB 3.41Å; Q1031-R1035 PolarHBondContact O-N 3.34Å; Q1031-F1052 HydrophobicContact CG-CE2 3.86Å; Q1031-F1052 HydrophobicContact CG-CZ 4Å; Q1031-L1064 HydrophobicContact CG-CD1 4.46Å
1032	K	94.8	Very high	95.1	Very high	67 Å²	67	20.9 Å²	20.9	29%	0.291	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-37.5	-176.9	-71.3	-168.2	180	-172.3	0	115	L1034 E1044 R1045 A1048	K1032-L1034 PolarHBondContact O-N 3.08Å; K1032-E1044 IonicContact NZ-OE2 3.7Å; K1032-E1044 PolarHBondContact NZ-OE2 2.79Å; K1032-R1045 PolarHBondContact O-NH1 3.38Å; K1032-A1048 HydrophobicContact CB-CB 4.02Å
1033	A	95.9	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-45	176.9	0	0	0	0	0	112	Q1031 R1045 A1048 M1049	Q1031-A1033 PolarHBondContact O-N 3.49Å; Q1031-A1033 VanDerWaalsContact O-N 3.07Å; A1033-R1045 WeakPolarHBondContact O-CG 3.44Å; A1033-R1045 PolarHBondContact O-NH1 2.66Å; A1033-A1048 HydrophobicContact CB-CB 3.96Å; A1033-M1049 HydrophobicContact CB-CG 3.78Å; A1033-M1049 WeakPolarHBondContact O-CE 3.41Å
1034	L	95.3	Very high	95	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-7.6	-167.7	-60.2	175.1	0	0	0	114.9	A973 S977 L982 R986 L989 L1028 Q1031 K1032	A973-L1034 HydrophobicContact CB-CD1 4.04Å; S977-L1034 VanDerWaalsContact OG-CD2 3.26Å; S977-L1034 WeakPolarHBondContact OG-CD2 3.41Å; L982-L1034 HydrophobicContact CD1-CB 4.21Å; L982-L1034 HydrophobicContact CD1-CD2 3.64Å; R986-L1034 WeakPolarHBondContact CD-O 3.42Å; R986-L1034 PolarHBondContact NH1-O 3.42Å; L989-L1034 HydrophobicContact CD1-CD1 3.71Å; L1028-L1034 HydrophobicContact CD1-CD1 3.8Å; L1028-L1034 HydrophobicContact CG-CD1 3.84Å; Q1031-L1034 PolarHBondContact O-N 2.74Å; K1032-L1034 PolarHBondContact O-N 3.08Å
1035	R	93.6	Very high	94.9	Very high	26 Å²	26	22.6 Å²	22.6	10%	0.098	12%	0.118	C	C	.	.			trans	-67.4	147.3	-179.1	75.6	-175.3	-168	179.5	9.2	113.1	K1030 Q1031 S1039 T1040 R1045	K1030-R1035 WeakPolarHBondContact O-CB 3.39Å; K1030-R1035 WeakPolarHBondContact O-CD 3.42Å; Q1031-R1035 WeakPolarHBondContact O-CB 3.41Å; Q1031-R1035 PolarHBondContact O-N 3.34Å; R1035-S1039 PolarHBondContact NH2-O 2.84Å; R1035-T1040 PolarHBondContact NE-OG1 2.72Å; R1035-T1040 PolarHBondContact NH2-OG1 2.86Å; R1035-R1045 VanDerWaalsContact O-CZ 3.31Å; R1035-R1045 PolarHBondContact O-NH1 2.8Å; R1035-R1045 PolarHBondContact O-NH2 3.44Å
1036	T	91.6	Very high	94.9	Very high	21 Å²	21	22.9 Å²	22.9	13%	0.129	12%	0.12	C	C	.	.			trans	-128.9	158.1	-179.4	48.4	0	0	0	0	110.4	L982 T1038 S1198	L982-T1036 HydrophobicContact CD2-CG2 3.81Å; L982-T1036 HydrophobicContact CG-CG2 4.19Å; T1036-T1038 PolarHBondContact O-N 2.84Å; T1036-S1198 WeakPolarHBondContact O-CB 3.15Å; T1036-S1198 PolarHBondContact O-OG 2.94Å
1037	G	86.6	Confident	94.9	Very high	21 Å²	21	24.1 Å²	24.1	22%	0.216	13%	0.125	C	C	.	.	S	Bend	trans	73.9	-28.8	-179.1	0	0	0	0	0	115.5	S780 S781	S780-G1037 VanDerWaalsContact O-CA 3.27Å; S780-G1037 WeakPolarHBondContact O-CA 3.38Å; S781-G1037 PolarHBondContact O-N 3.2Å; S781-G1037 VanDerWaalsContact O-N 3.16Å
1038	T	88.9	Confident	94.9	Very high	51 Å²	51	24.5 Å²	24.5	31%	0.313	13%	0.128	S	C	.	.	S	Bend	trans	-86.7	131	171.8	-38.6	0	0	0	0	110.7	T1036 T1040 S1198	T1036-T1038 PolarHBondContact O-N 2.84Å; T1038-T1040 PolarHBondContact O-N 3.11Å; T1038-T1040 PolarHBondContact O-OG1 3.12Å; T1038-S1198 PolarHBondContact N-OG 3.34Å; T1038-S1198 PolarHBondContact OG1-OG 3.23Å
1039	S	91.5	Very high	94.9	Very high	68 Å²	68	24.6 Å²	24.6	48%	0.476	13%	0.129	S	C	.	.			trans	-51.5	124.1	175.4	-170.2	0	0	0	0	111.5	R779 S780 R1035	R779-S1039 WeakPolarHBondContact O-CA 3.33Å; S780-S1039 VanDerWaalsContact OG-CA 3.32Å; S780-S1039 WeakPolarHBondContact OG-CA 3.34Å; S780-S1039 WeakPolarHBondContact OG-CB 3.41Å; S780-S1039 PolarHBondContact OG-N 2.92Å; R1035-S1039 PolarHBondContact NH2-O 2.84Å
1040	T	93	Very high	95	Very high	6 Å²	6	24.2 Å²	24.2	4%	0.037	13%	0.127	C	C	.	.			trans	-146	118.8	-177.9	-48	0	0	0	0	108.7	R779 R1035 T1038 R1045	R779-T1040 PolarHBondContact O-N 2.84Å; R1035-T1040 PolarHBondContact NE-OG1 2.72Å; R1035-T1040 PolarHBondContact NH2-OG1 2.86Å; T1038-T1040 PolarHBondContact O-N 3.11Å; T1038-T1040 PolarHBondContact O-OG1 3.12Å; T1040-R1045 HydrophobicContact CG2-CB 4.17Å
1041	R	94.9	Very high	95	Very high	87 Å²	87	23.8 Å²	23.8	33%	0.328	13%	0.125	S	C	.	.			trans	-61.3	143.3	174.3	-65.5	-179.8	176.8	176.6	-2.5	110.1	E774 S840 D1043 E1044 R1045	E774-R1041 WeakPolarHBondContact OE1-CA 3.31Å; S840-R1041 PolarHBondContact OG-NH1 2.86Å; R1041-D1043 PolarHBondContact O-N 2.88Å; R1041-E1044 HydrophobicContact CB-CB 4.32Å; R1041-E1044 HydrophobicContact CB-CG 4.18Å; R1041-E1044 WeakPolarHBondContact CD-OE1 3.41Å; R1041-E1044 PolarHBondContact O-N 3.34Å; R1041-R1045 PolarHBondContact O-N 2.92Å; R1041-R1045 VanDerWaalsContact O-N 3.09Å
1042	L	95.8	Very high	95	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-45.7	-178.2	-178.8	54.2	0	0	0	111.7	E774 H787 L788 Y818 E1044 R1045 I1046	E774-L1042 HydrophobicContact CB-CB 4.45Å; E774-L1042 HydrophobicContact CB-CD2 4.38Å; E774-L1042 HydrophobicContact CG-CB 3.95Å; E774-L1042 PolarHBondContact OE1-N 3.5Å; H787-L1042 HydrophobicContact CB-CD2 4.01Å; L788-L1042 HydrophobicContact CD2-CD1 3.94Å; Y818-L1042 HydrophobicContact CE2-CB 4.14Å; Y818-L1042 HydrophobicContact CE2-CD2 3.77Å; Y818-L1042 HydrophobicContact CE2-CG 4.14Å; L1042-E1044 PolarHBondContact O-N 2.88Å; L1042-R1045 WeakPolarHBondContact O-CB 3.37Å; L1042-R1045 PolarHBondContact O-N 2.88Å; L1042-R1045 VanDerWaalsContact O-N 3.15Å; L1042-I1046 HydrophobicContact CD1-CD1 4.47Å; L1042-I1046 HydrophobicContact CD1-CG1 4.08Å; L1042-I1046 HydrophobicContact CG-CG1 4.46Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; L1042-I1046 PolarHBondContact O-N 2.8Å
1043	D	97.7	Very high	95.1	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-65.5	-35.4	179.6	-65.1	-27.7	0	0	0	112.9	Y818 A819 D820 L821 Y837 R1041 I1046 F1047	Y818-D1043 WeakPolarHBondContact CA-OD2 3.33Å; Y818-D1043 VanDerWaalsContact CD2-OD2 3.29Å; Y818-D1043 WeakPolarHBondContact CD2-OD2 3.31Å; Y818-D1043 WeakPolarHBondContact CE2-OD1 3.36Å; A819-D1043 PolarHBondContact N-OD2 2.92Å; D820-D1043 WeakPolarHBondContact CA-OD1 3.28Å; D820-D1043 PolarHBondContact N-OD1 3.44Å; L821-D1043 HydrophobicContact CB-CB 4.1Å; L821-D1043 WeakPolarHBondContact CB-OD1 3.43Å; L821-D1043 PolarHBondContact N-OD1 3.34Å; Y837-D1043 HydrophobicContact CE1-CB 4.41Å; R1041-D1043 PolarHBondContact O-N 2.88Å; D1043-I1046 PolarHBondContact O-N 3.08Å; D1043-F1047 VanDerWaalsContact O-CB 3.32Å; D1043-F1047 WeakPolarHBondContact O-CB 3.37Å; D1043-F1047 PolarHBondContact O-N 2.74Å
1044	E	96.3	Very high	95.2	Very high	39 Å²	39	21.3 Å²	21.3	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-38.9	172.8	-74.1	-176.6	-115.6	0	0	112.4	Y837 K1032 R1041 L1042 A1048	Y837-E1044 HydrophobicContact CE1-CG 4.12Å; K1032-E1044 IonicContact NZ-OE2 3.7Å; K1032-E1044 PolarHBondContact NZ-OE2 2.79Å; R1041-E1044 HydrophobicContact CB-CB 4.32Å; R1041-E1044 HydrophobicContact CB-CG 4.18Å; R1041-E1044 WeakPolarHBondContact CD-OE1 3.41Å; R1041-E1044 PolarHBondContact O-N 3.34Å; L1042-E1044 PolarHBondContact O-N 2.88Å; E1044-A1048 WeakPolarHBondContact O-CB 3.45Å; E1044-A1048 PolarHBondContact O-N 3.49Å
1045	R	97.1	Very high	95.2	Very high	8 Å²	8	22.8 Å²	22.8	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-46.6	176.2	-177.7	-177.7	-63.4	-83.1	3.9	110.7	L788 K1032 A1033 R1035 T1040 R1041 L1042 A1048 M1049	L788-R1045 HydrophobicContact CD2-CG 4.47Å; K1032-R1045 PolarHBondContact O-NH1 3.38Å; A1033-R1045 WeakPolarHBondContact O-CG 3.44Å; A1033-R1045 PolarHBondContact O-NH1 2.66Å; R1035-R1045 VanDerWaalsContact O-CZ 3.31Å; R1035-R1045 PolarHBondContact O-NH1 2.8Å; R1035-R1045 PolarHBondContact O-NH2 3.44Å; T1040-R1045 HydrophobicContact CG2-CB 4.17Å; R1041-R1045 PolarHBondContact O-N 2.92Å; R1041-R1045 VanDerWaalsContact O-N 3.09Å; L1042-R1045 WeakPolarHBondContact O-CB 3.37Å; L1042-R1045 PolarHBondContact O-N 2.88Å; L1042-R1045 VanDerWaalsContact O-N 3.15Å; R1045-A1048 PolarHBondContact O-N 3.1Å; R1045-M1049 HydrophobicContact CG-CE 4.21Å; R1045-M1049 WeakPolarHBondContact O-CG 3.49Å; R1045-M1049 PolarHBondContact O-N 2.78Å
1046	I	98	Very high	95.3	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-39.1	178	-63.8	-66.7	0	0	0	111.2	L788 L821 L1042 D1043 M1049 C1050	L788-I1046 HydrophobicContact CD2-CD1 4.08Å; L788-I1046 WeakPolarHBondContact O-CD1 3.13Å; L821-I1046 HydrophobicContact CB-CB 4.48Å; L821-I1046 HydrophobicContact CB-CG2 4.17Å; L821-I1046 HydrophobicContact CD2-CG2 4.32Å; L821-I1046 HydrophobicContact CG-CG2 3.95Å; L1042-I1046 HydrophobicContact CD1-CD1 4.47Å; L1042-I1046 HydrophobicContact CD1-CG1 4.08Å; L1042-I1046 HydrophobicContact CG-CG1 4.46Å; L1042-I1046 WeakPolarHBondContact O-CG1 3.44Å; L1042-I1046 PolarHBondContact O-N 2.8Å; D1043-I1046 PolarHBondContact O-N 3.08Å; I1046-M1049 HydrophobicContact CD1-SD 4.16Å; I1046-M1049 CarbonylContact O-C 3.58Å; I1046-M1049 WeakPolarHBondContact O-CB 3.49Å; I1046-M1049 PolarHBondContact O-N 3.27Å; I1046-C1050 PolarHBondContact O-N 2.65Å; I1046-C1050 PolarHBondContact O-SG 2.7Å
1047	F	98.2	Very high	95.4	Very high	30 Å²	30	22 Å²	22	13%	0.132	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-45.1	175.1	-176.8	-113.3	0	0	0	111.2	L821 V835 Y837 D1043 M1049 C1050 E1051	L821-F1047 HydrophobicContact CD2-CB 3.75Å; L821-F1047 HydrophobicContact CD2-CD2 4.35Å; V835-F1047 HydrophobicContact CG1-CD2 4.22Å; V835-F1047 HydrophobicContact CG1-CE2 4.38Å; Y837-F1047 VanDerWaalsContact CB-CD2 3.4Å; Y837-F1047 HydrophobicContact CD1-CB 3.84Å; Y837-F1047 HydrophobicContact CD1-CD1 4.12Å; Y837-F1047 AromaticContact CD1-CG 3.9Å; Y837-F1047 HydrophobicContact CD1-CG 3.9Å; Y837-F1047 HydrophobicContact CG-CB 4.35Å; Y837-F1047 HydrophobicContact CG-CD2 4.37Å; Y837-F1047 HydrophobicContact CG-CG 4.17Å; D1043-F1047 VanDerWaalsContact O-CB 3.32Å; D1043-F1047 WeakPolarHBondContact O-CB 3.37Å; D1043-F1047 PolarHBondContact O-N 2.74Å; F1047-M1049 VanDerWaalsContact C-N 3.31Å; F1047-M1049 PolarHBondContact O-N 2.98Å; F1047-C1050 WeakPolarHBondContact O-CA 3.22Å; F1047-C1050 WeakPolarHBondContact O-CB 3.31Å; F1047-C1050 PolarHBondContact O-N 3.39Å; F1047-E1051 HydrophobicContact CD1-CG 4.26Å; F1047-E1051 HydrophobicContact CE1-CG 3.78Å; F1047-E1051 HydrophobicContact CE2-CG 4.15Å; F1047-E1051 HydrophobicContact CZ-CG 3.71Å; F1047-E1051 WeakPolarHBondContact O-CG 3.26Å; F1047-E1051 PolarHBondContact O-N 3.5Å
1048	A	97.5	Very high	95.7	Very high	7 Å²	7	24.5 Å²	24.5	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-39.7	172.8	0	0	0	0	0	112.4	K1032 A1033 E1044 R1045 C1050 E1051 F1052	K1032-A1048 HydrophobicContact CB-CB 4.02Å; A1033-A1048 HydrophobicContact CB-CB 3.96Å; E1044-A1048 WeakPolarHBondContact O-CB 3.45Å; E1044-A1048 PolarHBondContact O-N 3.49Å; R1045-A1048 PolarHBondContact O-N 3.1Å; A1048-C1050 VanDerWaalsContact C-N 3.31Å; A1048-C1050 PolarHBondContact O-N 3.1Å; A1048-E1051 PolarHBondContact O-N 3.37Å; A1048-F1052 WeakPolarHBondContact O-CD2 3.4Å; A1048-F1052 PolarHBondContact O-N 3.37Å; A1048-F1052 VanDerWaalsContact O-N 3.16Å
1049	M	98.1	Very high	95.9	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-32.5	172.5	-70.2	-179.9	171.7	0	0	113	L788 I974 A1033 R1045 I1046 F1047	L788-M1049 HydrophobicContact CD1-CE 4.45Å; L788-M1049 HydrophobicContact CD2-CE 4.17Å; I974-M1049 HydrophobicContact CG1-CG 4.16Å; I974-M1049 HydrophobicContact CG2-CB 3.87Å; I974-M1049 HydrophobicContact CG2-CG 3.99Å; I974-M1049 HydrophobicContact CG2-SD 4.34Å; A1033-M1049 HydrophobicContact CB-CG 3.78Å; A1033-M1049 WeakPolarHBondContact O-CE 3.41Å; R1045-M1049 HydrophobicContact CG-CE 4.21Å; R1045-M1049 WeakPolarHBondContact O-CG 3.49Å; R1045-M1049 PolarHBondContact O-N 2.78Å; I1046-M1049 HydrophobicContact CD1-SD 4.16Å; I1046-M1049 CarbonylContact O-C 3.58Å; I1046-M1049 WeakPolarHBondContact O-CB 3.49Å; I1046-M1049 PolarHBondContact O-N 3.27Å; F1047-M1049 VanDerWaalsContact C-N 3.31Å; F1047-M1049 PolarHBondContact O-N 2.98Å
1050	C	97.9	Very high	96	Very high	2 Å²	2	20 Å²	20	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-70.5	-46.2	174.9	-63.7	0	0	0	0	111.5	K829 I1046 F1047 A1048 F1052 K1053 T1054	K829-C1050 WeakPolarHBondContact CE-SG 3.35Å; K829-C1050 PolarHBondContact NZ-SG 3.09Å; I1046-C1050 PolarHBondContact O-N 2.65Å; I1046-C1050 PolarHBondContact O-SG 2.7Å; F1047-C1050 WeakPolarHBondContact O-CA 3.22Å; F1047-C1050 WeakPolarHBondContact O-CB 3.31Å; F1047-C1050 PolarHBondContact O-N 3.39Å; A1048-C1050 VanDerWaalsContact C-N 3.31Å; A1048-C1050 PolarHBondContact O-N 3.1Å; C1050-F1052 VanDerWaalsContact C-N 3.33Å; C1050-F1052 PolarHBondContact O-N 2.96Å; C1050-K1053 WeakPolarHBondContact O-CB 3.49Å; C1050-K1053 PolarHBondContact O-N 2.71Å; C1050-T1054 PolarHBondContact O-N 3.49Å; C1050-T1054 PolarHBondContact O-OG1 3.11Å
1051	E	96.4	Very high	96.2	Very high	19 Å²	19	20.4 Å²	20.4	9%	0.089	10%	0.102	C	C	.	.	H	α-helix	trans	-56.8	-45.5	178.3	-71.7	-77.5	80.3	0	0	111.8	F1047 A1048 K1053 T1054 Q1055 M1063	F1047-E1051 HydrophobicContact CD1-CG 4.26Å; F1047-E1051 HydrophobicContact CE1-CG 3.78Å; F1047-E1051 HydrophobicContact CE2-CG 4.15Å; F1047-E1051 HydrophobicContact CZ-CG 3.71Å; F1047-E1051 WeakPolarHBondContact O-CG 3.26Å; F1047-E1051 PolarHBondContact O-N 3.5Å; A1048-E1051 PolarHBondContact O-N 3.37Å; E1051-K1053 PolarHBondContact O-N 3.23Å; E1051-T1054 PolarHBondContact O-N 2.78Å; E1051-Q1055 HydrophobicContact CB-CG 4.08Å; E1051-Q1055 VanDerWaalsContact CD-NE2 3.29Å; E1051-Q1055 VanDerWaalsContact O-CB 3.3Å; E1051-Q1055 WeakPolarHBondContact O-CB 3.32Å; E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; E1051-Q1055 PolarHBondContact O-N 3.41Å; E1051-Q1055 PolarHBondContact OE1-NE2 3.36Å; E1051-Q1055 PolarHBondContact OE2-NE2 3.41Å; E1051-Q1055 VanDerWaalsContact OE2-NE2 3.08Å; E1051-M1063 HydrophobicContact CB-CE 3.71Å; E1051-M1063 HydrophobicContact CG-CE 3.84Å; E1051-M1063 WeakPolarHBondContact OE2-CE 3.48Å
1052	F	96.4	Very high	96.1	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-19.8	176.5	-91	-97.5	0	0	0	114.5	A970 N971 I974 L1028 Q1031 A1048 C1050 L1060 L1064	A970-F1052 HydrophobicContact CB-CD1 3.46Å; A970-F1052 VanDerWaalsContact CB-CD1 3.46Å; A970-F1052 HydrophobicContact CB-CE1 3.66Å; N971-F1052 PolarHBondContact ND2-O 2.93Å; N971-F1052 PolarHBondContact OD1-O 3.48Å; I974-F1052 HydrophobicContact CD1-CB 3.27Å; I974-F1052 HydrophobicContact CD1-CG 3.96Å; L1028-F1052 HydrophobicContact CD1-CE1 3.95Å; L1028-F1052 HydrophobicContact CD1-CZ 4.2Å; Q1031-F1052 HydrophobicContact CG-CE2 3.86Å; Q1031-F1052 HydrophobicContact CG-CZ 4Å; A1048-F1052 WeakPolarHBondContact O-CD2 3.4Å; A1048-F1052 PolarHBondContact O-N 3.37Å; A1048-F1052 VanDerWaalsContact O-N 3.16Å; C1050-F1052 VanDerWaalsContact C-N 3.33Å; C1050-F1052 PolarHBondContact O-N 2.96Å; F1052-L1060 HydrophobicContact CB-CD1 4.4Å; F1052-L1060 HydrophobicContact CD1-CD1 3.76Å; F1052-L1060 HydrophobicContact CD1-CD2 3.88Å; F1052-L1060 HydrophobicContact CD1-CG 3.81Å; F1052-L1060 HydrophobicContact CE1-CD1 4.31Å; F1052-L1060 HydrophobicContact CE1-CD2 3.6Å; F1052-L1060 HydrophobicContact CE1-CG 3.86Å; F1052-L1060 HydrophobicContact CG-CD1 4.19Å; F1052-L1060 HydrophobicContact CG-CG 4.37Å; F1052-L1060 HydrophobicContact CZ-CD2 4.36Å; F1052-L1060 HydrophobicContact CZ-CG 4.42Å; F1052-L1064 HydrophobicContact CZ-CB 4.16Å; F1052-L1064 HydrophobicContact CZ-CD1 4.29Å
1053	K	97.2	Very high	95.9	Very high	19 Å²	19	18.6 Å²	18.6	8%	0.083	10%	0.096	C	C	.	.	H	α-helix	trans	-79	-28.3	171.8	-72	-51.3	-157.1	-175.4	0	113.1	H885 G886 N971 D975 C1050 E1051	H885-K1053 HydrophobicContact CB-CD 4.25Å; G886-K1053 WeakPolarHBondContact CA-O 3.36Å; N971-K1053 PolarHBondContact O-NZ 3.2Å; N971-K1053 VanDerWaalsContact O-NZ 3.09Å; N971-K1053 WeakPolarHBondContact OD1-CD 3.38Å; D975-K1053 WeakPolarHBondContact OD1-CE 3.18Å; D975-K1053 IonicContact OD1-NZ 3.87Å; D975-K1053 PolarHBondContact OD1-NZ 3.31Å; D975-K1053 IonicContact OD2-NZ 2.64Å; D975-K1053 PolarHBondContact OD2-NZ 2.88Å; C1050-K1053 WeakPolarHBondContact O-CB 3.49Å; C1050-K1053 PolarHBondContact O-N 2.71Å; E1051-K1053 PolarHBondContact O-N 3.23Å
1054	T	96.3	Very high	95.8	Very high	17 Å²	17	18.6 Å²	18.6	10%	0.104	10%	0.096	C	C	.	.	H	α-helix	trans	-124.4	-18.1	-165	52.5	0	0	0	0	115.8	N887 S905 A906 C1050 E1051	N887-T1054 HydrophobicContact CB-CG2 4.14Å; N887-T1054 VanDerWaalsContact CG-CG2 3.48Å; S905-T1054 WeakPolarHBondContact CA-O 3.35Å; A906-T1054 PolarHBondContact N-O 3.31Å; C1050-T1054 PolarHBondContact O-N 3.49Å; C1050-T1054 PolarHBondContact O-OG1 3.11Å; E1051-T1054 PolarHBondContact O-N 2.78Å
1055	Q	95.7	Very high	95.8	Very high	32 Å²	32	17.3 Å²	17.3	15%	0.15	9%	0.09	C	C	.	.	S	Bend	trans	-76.2	140.4	-176.8	-71.4	-65.2	-10.9	0	0	112.1	E1051 Q1059 L1060 M1063	E1051-Q1055 HydrophobicContact CB-CG 4.08Å; E1051-Q1055 VanDerWaalsContact CD-NE2 3.29Å; E1051-Q1055 VanDerWaalsContact O-CB 3.3Å; E1051-Q1055 WeakPolarHBondContact O-CB 3.32Å; E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.42Å; E1051-Q1055 PolarHBondContact O-N 3.41Å; E1051-Q1055 PolarHBondContact OE1-NE2 3.36Å; E1051-Q1055 PolarHBondContact OE2-NE2 3.41Å; E1051-Q1055 VanDerWaalsContact OE2-NE2 3.08Å; Q1055-Q1059 HydrophobicContact CB-CG 4.46Å; Q1055-Q1059 HydrophobicContact CG-CG 4.47Å; Q1055-L1060 HydrophobicContact CB-CB 4.3Å; Q1055-M1063 HydrophobicContact CG-SD 4.17Å
1056	P	95.3	Very high	95.8	Very high	15 Å²	15	17.1 Å²	17.1	10%	0.097	9%	0.09	C	C	.	.			trans	-62.9	147.9	173.7	-21.6	34.8	0	0	0	111.7	H533 D904 A906 P1058 Q1059 L1060	H533-P1056 VanDerWaalsContact CE1-CG 3.45Å; H533-P1056 WeakPolarHBondContact CE1-CG 3.37Å; H533-P1056 WeakPolarHBondContact NE2-CG 3.36Å; D904-P1056 VanDerWaalsContact O-CD 3.23Å; D904-P1056 WeakPolarHBondContact O-CD 3.38Å; D904-P1056 WeakPolarHBondContact O-CG 3.48Å; A906-P1056 HydrophobicContact CB-CB 4.25Å; A906-P1056 HydrophobicContact CB-CG 4.24Å; P1056-P1058 VanDerWaalsContact C-CD 3.46Å; P1056-P1058 VanDerWaalsContact O-N 3.13Å; P1056-Q1059 WeakPolarHBondContact O-CB 3.44Å; P1056-Q1059 PolarHBondContact O-N 2.94Å; P1056-L1060 PolarHBondContact O-N 3.44Å
1057	L	95.4	Very high	95.6	Very high	14 Å²	14	18 Å²	18	7%	0.073	9%	0.094	C	C	.	.	H	α-helix	trans	-48.1	-44.9	-174	-179.6	65.2	0	0	0	114.8	L531 Q963 C967 Q1059 L1060 M1061	L531-L1057 HydrophobicContact CD2-CB 4.16Å; L531-L1057 HydrophobicContact CD2-CD1 3.92Å; L531-L1057 HydrophobicContact CD2-CD2 4.05Å; L531-L1057 HydrophobicContact CD2-CG 4.27Å; Q963-L1057 HydrophobicContact CB-CD1 4.22Å; Q963-L1057 HydrophobicContact CB-CD2 4.06Å; Q963-L1057 HydrophobicContact CB-CG 4.43Å; C967-L1057 HydrophobicContact CB-CD1 3.49Å; C967-L1057 VanDerWaalsContact CB-CD1 3.49Å; L1057-Q1059 VanDerWaalsContact C-N 3.31Å; L1057-Q1059 PolarHBondContact O-N 3.34Å; L1057-L1060 PolarHBondContact O-N 2.85Å; L1057-M1061 HydrophobicContact CD1-CG 3.91Å; L1057-M1061 HydrophobicContact CD1-SD 4.19Å; L1057-M1061 HydrophobicContact CG-CG 4.29Å; L1057-M1061 WeakPolarHBondContact O-CB 3.43Å; L1057-M1061 WeakPolarHBondContact O-CG 3.35Å; L1057-M1061 PolarHBondContact O-N 2.92Å
1058	P	93	Very high	95.6	Very high	74 Å²	74	16.6 Å²	16.6	48%	0.481	9%	0.088	S	C	.	.	H	α-helix	trans	-61.9	-36.8	178.8	-23	35	0	0	0	113.5	P1056 R1062	P1056-P1058 VanDerWaalsContact C-CD 3.46Å; P1056-P1058 VanDerWaalsContact O-N 3.13Å; P1058-R1062 PolarHBondContact O-N 3.04Å
1059	Q	92.9	Very high	95.5	Very high	23 Å²	23	16.6 Å²	16.6	11%	0.107	9%	0.087	C	C	.	.	H	α-helix	trans	-72.8	-45.3	177.9	-174.8	67.4	-2	0	0	110.8	Q1055 P1056 L1057 M1061 R1062 M1063 G1111	Q1055-Q1059 HydrophobicContact CB-CG 4.46Å; Q1055-Q1059 HydrophobicContact CG-CG 4.47Å; P1056-Q1059 WeakPolarHBondContact O-CB 3.44Å; P1056-Q1059 PolarHBondContact O-N 2.94Å; L1057-Q1059 VanDerWaalsContact C-N 3.31Å; L1057-Q1059 PolarHBondContact O-N 3.34Å; Q1059-M1061 VanDerWaalsContact C-N 3.29Å; Q1059-M1061 PolarHBondContact O-N 2.89Å; Q1059-R1062 PolarHBondContact O-N 2.83Å; Q1059-M1063 HydrophobicContact CG-SD 4.26Å; Q1059-M1063 WeakPolarHBondContact O-CG 3.31Å; Q1059-M1063 PolarHBondContact O-N 2.72Å; Q1059-G1111 PolarHBondContact NE2-O 3.42Å; Q1059-G1111 PolarHBondContact OE1-O 2.99Å
1060	L	93.9	Very high	95.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-37.6	177.5	-173.3	152.4	0	0	0	111.9	C967 F1052 Q1055 P1056 L1057 M1063 L1064	C967-L1060 HydrophobicContact CB-CD2 3.97Å; C967-L1060 VanDerWaalsContact SG-CD1 3.59Å; F1052-L1060 HydrophobicContact CB-CD1 4.4Å; F1052-L1060 HydrophobicContact CD1-CD1 3.76Å; F1052-L1060 HydrophobicContact CD1-CD2 3.88Å; F1052-L1060 HydrophobicContact CD1-CG 3.81Å; F1052-L1060 HydrophobicContact CE1-CD1 4.31Å; F1052-L1060 HydrophobicContact CE1-CD2 3.6Å; F1052-L1060 HydrophobicContact CE1-CG 3.86Å; F1052-L1060 HydrophobicContact CG-CD1 4.19Å; F1052-L1060 HydrophobicContact CG-CG 4.37Å; F1052-L1060 HydrophobicContact CZ-CD2 4.36Å; F1052-L1060 HydrophobicContact CZ-CG 4.42Å; Q1055-L1060 HydrophobicContact CB-CB 4.3Å; P1056-L1060 PolarHBondContact O-N 3.44Å; L1057-L1060 PolarHBondContact O-N 2.85Å; L1060-M1063 PolarHBondContact O-N 2.88Å; L1060-L1064 VanDerWaalsContact O-CB 3.32Å; L1060-L1064 WeakPolarHBondContact O-CB 3.25Å; L1060-L1064 PolarHBondContact O-N 3.44Å; L1060-L1064 VanDerWaalsContact O-N 3.08Å
1061	M	95.3	Very high	95.2	Very high	14 Å²	14	18.8 Å²	18.8	7%	0.069	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-43.6	174.3	-72.7	-51.9	-51	0	0	112.4	Q963 Y1024 L1057 Q1059 M1063 L1064 H1065	Q963-M1061 HydrophobicContact CB-CG 4.21Å; Q963-M1061 HydrophobicContact CB-SD 4.04Å; Q963-M1061 HydrophobicContact CG-CE 4.26Å; Q963-M1061 HydrophobicContact CG-CG 4.09Å; Q963-M1061 HydrophobicContact CG-SD 4.11Å; Y1024-M1061 HydrophobicContact CD1-CE 4.02Å; Y1024-M1061 HydrophobicContact CD2-CE 3.77Å; Y1024-M1061 HydrophobicContact CE1-CE 3.74Å; Y1024-M1061 HydrophobicContact CE2-CE 3.48Å; Y1024-M1061 VanDerWaalsContact CE2-CE 3.48Å; Y1024-M1061 HydrophobicContact CG-CE 4.03Å; Y1024-M1061 VanDerWaalsContact CZ-CE 3.45Å; L1057-M1061 HydrophobicContact CD1-CG 3.91Å; L1057-M1061 HydrophobicContact CD1-SD 4.19Å; L1057-M1061 HydrophobicContact CG-CG 4.29Å; L1057-M1061 WeakPolarHBondContact O-CB 3.43Å; L1057-M1061 WeakPolarHBondContact O-CG 3.35Å; L1057-M1061 PolarHBondContact O-N 2.92Å; Q1059-M1061 VanDerWaalsContact C-N 3.29Å; Q1059-M1061 PolarHBondContact O-N 2.89Å; M1061-M1063 VanDerWaalsContact C-N 3.31Å; M1061-M1063 PolarHBondContact O-N 3.21Å; M1061-L1064 HydrophobicContact CE-CD2 4.12Å; M1061-L1064 WeakPolarHBondContact O-CB 3.46Å; M1061-L1064 PolarHBondContact O-N 3.01Å; M1061-L1064 VanDerWaalsContact O-N 3.13Å; M1061-L1064 HydrophobicContact SD-CD2 4.26Å; M1061-H1065 CarbonylContact O-C 3.54Å; M1061-H1065 PolarHBondContact O-N 3.38Å
1062	R	93.5	Very high	95	Very high	31 Å²	31	19.6 Å²	19.6	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-34	174.5	-67.1	172.6	-179.6	145.1	-3.2	113	P1058 Q1059 L1064 P1066 D1067 D1109	P1058-R1062 PolarHBondContact O-N 3.04Å; Q1059-R1062 PolarHBondContact O-N 2.83Å; R1062-L1064 VanDerWaalsContact C-N 3.27Å; R1062-L1064 PolarHBondContact O-N 3.34Å; R1062-P1066 VanDerWaalsContact O-CA 3.29Å; R1062-P1066 WeakPolarHBondContact O-CA 3.35Å; R1062-P1066 WeakPolarHBondContact O-CD 3.43Å; R1062-P1066 WeakPolarHBondContact O-CG 3.5Å; R1062-D1067 IonicContact NE-OD2 3.83Å; R1062-D1109 WeakPolarHBondContact CD-OD2 3.46Å; R1062-D1109 IonicContact CZ-OD2 3.96Å; R1062-D1109 IonicContact NE-OD2 3.23Å; R1062-D1109 PolarHBondContact NE-OD2 3.3Å
1063	M	92.8	Very high	94.6	Very high	27 Å²	27	24.2 Å²	24.2	13%	0.133	13%	0.125	C	C	.	.	H	α-helix	trans	-74.5	-16.8	175.7	-67.3	177.3	68.4	0	0	113.9	E1051 Q1055 Q1059 L1060 M1061	E1051-M1063 HydrophobicContact CB-CE 3.71Å; E1051-M1063 HydrophobicContact CG-CE 3.84Å; E1051-M1063 WeakPolarHBondContact OE2-CE 3.48Å; Q1055-M1063 HydrophobicContact CG-SD 4.17Å; Q1059-M1063 HydrophobicContact CG-SD 4.26Å; Q1059-M1063 WeakPolarHBondContact O-CG 3.31Å; Q1059-M1063 PolarHBondContact O-N 2.72Å; L1060-M1063 PolarHBondContact O-N 2.88Å; M1061-M1063 VanDerWaalsContact C-N 3.31Å; M1061-M1063 PolarHBondContact O-N 3.21Å
1064	L	95.4	Very high	94.2	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-95.8	-51.3	179.1	173.3	61	0	0	0	111.6	T966 A1027 L1028 Q1031 F1052 L1060 M1061 R1062	T966-L1064 HydrophobicContact CG2-CD2 3.3Å; A1027-L1064 HydrophobicContact CB-CD1 3.91Å; A1027-L1064 HydrophobicContact CB-CG 4.24Å; L1028-L1064 VanDerWaalsContact CA-CD1 3.43Å; L1028-L1064 HydrophobicContact CB-CD1 3.75Å; L1028-L1064 HydrophobicContact CD1-CD1 4.11Å; L1028-L1064 VanDerWaalsContact N-CD1 3.33Å; Q1031-L1064 HydrophobicContact CG-CD1 4.46Å; F1052-L1064 HydrophobicContact CZ-CB 4.16Å; F1052-L1064 HydrophobicContact CZ-CD1 4.29Å; L1060-L1064 VanDerWaalsContact O-CB 3.32Å; L1060-L1064 WeakPolarHBondContact O-CB 3.25Å; L1060-L1064 PolarHBondContact O-N 3.44Å; L1060-L1064 VanDerWaalsContact O-N 3.08Å; M1061-L1064 HydrophobicContact CE-CD2 4.12Å; M1061-L1064 WeakPolarHBondContact O-CB 3.46Å; M1061-L1064 PolarHBondContact O-N 3.01Å; M1061-L1064 VanDerWaalsContact O-N 3.13Å; M1061-L1064 HydrophobicContact SD-CD2 4.26Å; R1062-L1064 VanDerWaalsContact C-N 3.27Å; R1062-L1064 PolarHBondContact O-N 3.34Å
1065	H	96.2	Very high	93.7	Very high	12 Å²	12	26.5 Å²	26.5	6%	0.056	14%	0.141	C	C	.	.	S	Bend	trans	-135.5	87.4	-179.4	-179.3	-59.8	0	0	0	107.4	Y1024 M1061 L1095	Y1024-H1065 HydrophobicContact CD1-CB 4.16Å; Y1024-H1065 HydrophobicContact CE1-CB 4.07Å; Y1024-H1065 AromaticContact CE1-CD2 3.92Å; Y1024-H1065 AromaticContact CE1-CG 3.95Å; M1061-H1065 CarbonylContact O-C 3.54Å; M1061-H1065 PolarHBondContact O-N 3.38Å; H1065-L1095 HydrophobicContact CB-CD1 4.31Å; H1065-L1095 VanDerWaalsContact CE1-CD1 3.49Å; H1065-L1095 WeakPolarHBondContact CE1-CD1 3.41Å; H1065-L1095 WeakPolarHBondContact ND1-CD1 3.16Å
1066	P	95.6	Very high	93.3	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.019	15%	0.153	C	C	.	.			trans	-49.5	149.1	178.8	-31.8	37.3	0	0	0	114.2	R1062 L1095 M1108 D1109 C1110 H1190	R1062-P1066 VanDerWaalsContact O-CA 3.29Å; R1062-P1066 WeakPolarHBondContact O-CA 3.35Å; R1062-P1066 WeakPolarHBondContact O-CD 3.43Å; R1062-P1066 WeakPolarHBondContact O-CG 3.5Å; P1066-L1095 HydrophobicContact CB-CD2 4.46Å; P1066-M1108 HydrophobicContact CB-CG 3.63Å; P1066-M1108 HydrophobicContact CB-SD 4.08Å; P1066-M1108 HydrophobicContact CG-SD 4.41Å; P1066-D1109 VanDerWaalsContact CA-O 3.32Å; P1066-D1109 WeakPolarHBondContact CA-O 3.42Å; P1066-D1109 WeakPolarHBondContact CB-O 3.34Å; P1066-C1110 HydrophobicContact CG-CB 4.33Å; P1066-H1190 HydrophobicContact CG-CB 4.25Å
1067	D	95.6	Very high	92.9	Very high	24 Å²	24	36 Å²	36	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.2	173.5	-67.4	-43.9	0	0	0	109	R1062 Y1069 L1092 M1108 D1109	R1062-D1067 IonicContact NE-OD2 3.83Å; D1067-Y1069 HydrophobicContact CB-CE2 3.55Å; D1067-Y1069 WeakPolarHBondContact CB-OH 3.48Å; D1067-L1092 HydrophobicContact CB-CD2 3.62Å; D1067-L1092 WeakPolarHBondContact OD1-CD2 3.33Å; D1067-M1108 WeakPolarHBondContact O-CA 3.26Å; D1067-D1109 HydrophobicContact CB-CB 4.3Å; D1067-D1109 PolarHBondContact N-O 3.48Å; D1067-D1109 VanDerWaalsContact N-O 3.12Å; D1067-D1109 PolarHBondContact O-N 2.94Å
1068	L	96.4	Very high	92.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.5	-179.4	-179.8	65.9	0	0	0	111	L1092 L1093 L1095 L1100 F1106 L1107 M1108	L1068-L1092 CarbonylContact O-C 3.48Å; L1068-L1093 HydrophobicContact CB-CB 4.29Å; L1068-L1093 HydrophobicContact CD2-CB 4.08Å; L1068-L1093 HydrophobicContact CG-CB 4.06Å; L1068-L1093 HydrophobicContact CG-CD1 4.46Å; L1068-L1093 WeakPolarHBondContact O-CB 3.25Å; L1068-L1093 PolarHBondContact O-N 2.92Å; L1068-L1095 HydrophobicContact CB-CD2 3.87Å; L1068-L1095 HydrophobicContact CD2-CD2 4.31Å; L1068-L1100 HydrophobicContact CD1-CD2 4.38Å; L1068-L1100 HydrophobicContact CD2-CD2 4.24Å; L1068-F1106 HydrophobicContact CD1-CB 4.19Å; L1068-L1107 WeakPolarHBondContact CA-O 3.13Å; L1068-M1108 HydrophobicContact CD1-CB 4.07Å; L1068-M1108 HydrophobicContact CD1-CE 4.12Å
1069	Y	96.1	Very high	92.2	Very high	6 Å²	6	34.5 Å²	34.5	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.8	-177.2	-52.3	-84.1	0	0	0	111	D1067 P1090 L1092 F1106 L1107 F1160 L1164	D1067-Y1069 HydrophobicContact CB-CE2 3.55Å; D1067-Y1069 WeakPolarHBondContact CB-OH 3.48Å; Y1069-P1090 HydrophobicContact CD1-CB 4.24Å; Y1069-P1090 HydrophobicContact CD1-CG 3.84Å; Y1069-P1090 WeakPolarHBondContact CD1-O 3.3Å; Y1069-P1090 HydrophobicContact CG-CG 4.24Å; Y1069-L1092 HydrophobicContact CD1-CD2 4.26Å; Y1069-L1092 HydrophobicContact CE1-CD2 3.54Å; Y1069-L1092 HydrophobicContact CE1-CG 4.25Å; Y1069-L1092 HydrophobicContact CE2-CD2 4.46Å; Y1069-F1106 CarbonylContact O-C 3.59Å; Y1069-F1106 WeakPolarHBondContact O-CA 3.47Å; Y1069-L1107 HydrophobicContact CD2-CD2 4.47Å; Y1069-L1107 PolarHBondContact N-O 3.19Å; Y1069-L1107 PolarHBondContact O-N 2.84Å; Y1069-F1160 HydrophobicContact CD1-CE1 4.39Å; Y1069-F1160 AromaticContact CD1-CZ 3.89Å; Y1069-F1160 HydrophobicContact CD1-CZ 3.89Å; Y1069-F1160 HydrophobicContact CD2-CE1 4.04Å; Y1069-F1160 HydrophobicContact CD2-CZ 4.02Å; Y1069-F1160 AromaticContact CE1-CZ 3.83Å; Y1069-F1160 HydrophobicContact CE1-CZ 3.83Å; Y1069-F1160 HydrophobicContact CE2-CE1 4.37Å; Y1069-F1160 AromaticContact CE2-CZ 3.98Å; Y1069-F1160 HydrophobicContact CE2-CZ 3.98Å; Y1069-F1160 HydrophobicContact CG-CE1 4.04Å; Y1069-F1160 AromaticContact CG-CZ 3.97Å; Y1069-F1160 HydrophobicContact CG-CZ 3.97Å; Y1069-F1160 AromaticContact CZ-CZ 3.87Å; Y1069-L1164 HydrophobicContact CE2-CD1 4.47Å
1070	R	95.6	Very high	92.1	Very high	53 Å²	53	35.7 Å²	35.7	20%	0.2	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.8	164.5	-171	174.9	176.1	160.6	-1.4	109.1	D1072 N1073 L1093 S1101 D1103 F1106	R1070-D1072 WeakPolarHBondContact CG-OD1 3.39Å; R1070-D1072 IonicContact CZ-OD1 3.77Å; R1070-D1072 IonicContact CZ-OD2 3.93Å; R1070-D1072 VanDerWaalsContact CZ-OD2 3.26Å; R1070-D1072 VanDerWaalsContact NE-CG 3.29Å; R1070-D1072 IonicContact NE-OD1 2.77Å; R1070-D1072 PolarHBondContact NE-OD1 3.21Å; R1070-D1072 IonicContact NE-OD2 3.17Å; R1070-D1072 PolarHBondContact NE-OD2 2.99Å; R1070-D1072 IonicContact NH2-OD1 2.83Å; R1070-D1072 IonicContact NH2-OD2 2.71Å; R1070-D1072 PolarHBondContact NH2-OD2 3.16Å; R1070-N1073 WeakPolarHBondContact CG-OD1 2.98Å; R1070-L1093 HydrophobicContact CB-CD1 4.12Å; R1070-S1101 PolarHBondContact NH1-OG 3.1Å; R1070-D1103 IonicContact CZ-OD2 3Å; R1070-D1103 IonicContact NH1-OD2 2.82Å; R1070-D1103 IonicContact NH2-OD1 3.73Å; R1070-D1103 IonicContact NH2-OD2 3.68Å; R1070-D1103 PolarHBondContact NH2-OD2 3.47Å; R1070-F1106 HydrophobicContact CB-CD1 3.92Å; R1070-F1106 HydrophobicContact CB-CE1 3.77Å; R1070-F1106 HydrophobicContact CG-CD1 4.14Å; R1070-F1106 HydrophobicContact CG-CE1 3.75Å; R1070-F1106 HydrophobicContact CG-CZ 4.09Å
1071	L	95.3	Very high	92	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.			trans	-107.9	-25.3	-174.3	-62.1	-162.3	0	0	0	114.3	N1073 M1074 P1090 A1105 L1107 L1116 F1126 V1157 F1160	L1071-N1073 PolarHBondContact O-N 2.9Å; L1071-M1074 HydrophobicContact CB-CE 4.26Å; L1071-M1074 HydrophobicContact CD2-CE 4.28Å; L1071-M1074 HydrophobicContact CD2-CG 4.49Å; L1071-M1074 HydrophobicContact CD2-SD 3.83Å; L1071-M1074 PolarHBondContact O-N 2.95Å; L1071-P1090 HydrophobicContact CD2-CG 4.49Å; L1071-A1105 PolarHBondContact N-O 2.69Å; L1071-L1107 HydrophobicContact CD1-CB 3.78Å; L1071-L1107 HydrophobicContact CD1-CD2 4.4Å; L1071-L1107 HydrophobicContact CD2-CB 4.1Å; L1071-L1107 HydrophobicContact CG-CB 3.86Å; L1071-L1116 HydrophobicContact CD1-CD1 4.04Å; L1071-F1126 HydrophobicContact CB-CE2 4.02Å; L1071-F1126 HydrophobicContact CB-CZ 4.31Å; L1071-V1157 HydrophobicContact CD1-CG1 4.23Å; L1071-V1157 HydrophobicContact CD1-CG2 4.29Å; L1071-F1160 HydrophobicContact CD2-CD1 4.01Å; L1071-F1160 HydrophobicContact CD2-CE1 4.05Å
1072	D	90.8	Very high	91.7	Very high	35 Å²	35	45.5 Å²	45.5	19%	0.187	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11	-175.9	61.8	-77.7	0	0	0	114.5	R1070 G1104 A1105 F1126	R1070-D1072 WeakPolarHBondContact CG-OD1 3.39Å; R1070-D1072 IonicContact CZ-OD1 3.77Å; R1070-D1072 IonicContact CZ-OD2 3.93Å; R1070-D1072 VanDerWaalsContact CZ-OD2 3.26Å; R1070-D1072 VanDerWaalsContact NE-CG 3.29Å; R1070-D1072 IonicContact NE-OD1 2.77Å; R1070-D1072 PolarHBondContact NE-OD1 3.21Å; R1070-D1072 IonicContact NE-OD2 3.17Å; R1070-D1072 PolarHBondContact NE-OD2 2.99Å; R1070-D1072 IonicContact NH2-OD1 2.83Å; R1070-D1072 IonicContact NH2-OD2 2.71Å; R1070-D1072 PolarHBondContact NH2-OD2 3.16Å; D1072-G1104 WeakPolarHBondContact OD1-CA 3.27Å; D1072-A1105 HydrophobicContact CB-CB 4.22Å; D1072-A1105 PolarHBondContact OD1-N 3.12Å; D1072-F1126 HydrophobicContact CB-CD2 3.88Å; D1072-F1126 HydrophobicContact CB-CE2 4.44Å; D1072-F1126 HydrophobicContact CB-CG 4.32Å
1073	N	88.6	Confident	91.1	Very high	102 Å²	102	51.6 Å²	51.6	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	23.5	-179.8	70.9	-27.7	0	0	0	113.6	R1070 L1071	R1070-N1073 WeakPolarHBondContact CG-OD1 2.98Å; L1071-N1073 PolarHBondContact O-N 2.9Å
1074	M	88.3	Confident	90.6	Very high	22 Å²	22	58.4 Å²	58.4	11%	0.108	31%	0.313	C	S	.	.			trans	-62	147.5	176.8	-75.4	-169.9	-60.7	0	0	112.9	L1071 P1088 P1090 R1156 V1157	L1071-M1074 HydrophobicContact CB-CE 4.26Å; L1071-M1074 HydrophobicContact CD2-CE 4.28Å; L1071-M1074 HydrophobicContact CD2-CG 4.49Å; L1071-M1074 HydrophobicContact CD2-SD 3.83Å; L1071-M1074 PolarHBondContact O-N 2.95Å; M1074-P1088 HydrophobicContact SD-CB 3.91Å; M1074-P1088 HydrophobicContact SD-CG 4.26Å; M1074-P1090 HydrophobicContact CG-CB 4.32Å; M1074-P1090 HydrophobicContact SD-CG 4.27Å; M1074-R1156 HydrophobicContact CE-CB 4.1Å; M1074-V1157 HydrophobicContact CE-CB 4.25Å; M1074-V1157 HydrophobicContact CE-CG2 3.39Å
1075	S	87	Confident	90.3	Very high	62 Å²	62	61.6 Å²	61.6	43%	0.434	33%	0.333	S	S	.	.			trans	-141.5	169.1	173.8	73	0	0	0	0	110.4	Q1077	S1075-Q1077 PolarHBondContact O-N 2.86Å; S1075-Q1077 PolarHBondContact OG-N 2.86Å
1076	D	87.4	Confident	90.1	Very high	72 Å²	72	63.7 Å²	63.7	39%	0.385	35%	0.346	S	S	.	.	S	Bend	trans	-81.6	1.1	177.8	-44.5	-50	0	0	0	112.4	G1078 A1079 V1086 R1156	D1076-G1078 PolarHBondContact O-N 2.77Å; D1076-G1078 VanDerWaalsContact O-N 3.13Å; D1076-A1079 HydrophobicContact CB-CB 4.45Å; D1076-A1079 WeakPolarHBondContact O-CB 3.5Å; D1076-A1079 PolarHBondContact O-N 3.46Å; D1076-A1079 VanDerWaalsContact O-N 3.11Å; D1076-V1086 HydrophobicContact CB-CG1 4.26Å; D1076-R1156 IonicContact OD1-CZ 2.67Å; D1076-R1156 IonicContact OD1-NE 2.73Å; D1076-R1156 PolarHBondContact OD1-NE 3.21Å; D1076-R1156 IonicContact OD1-NH2 3.74Å; D1076-R1156 PolarHBondContact OD1-NH2 3.33Å; D1076-R1156 IonicContact OD2-CZ 2.63Å; D1076-R1156 IonicContact OD2-NE 3.83Å; D1076-R1156 IonicContact OD2-NH2 3.54Å; D1076-R1156 PolarHBondContact OD2-NH2 3.29Å
1077	Q	85.2	Confident	90	Very high	174 Å²	174	63.9 Å²	63.9	81%	0.813	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	112.9	-179.6	-174.4	176.8	-2.3	0	0	110.6	S1075 A1079	S1075-Q1077 PolarHBondContact O-N 2.86Å; S1075-Q1077 PolarHBondContact OG-N 2.86Å; Q1077-A1079 VanDerWaalsContact C-N 3.27Å; Q1077-A1079 PolarHBondContact O-N 2.94Å
1078	G	84.9	Confident	89.9	Confident	43 Å²	43	62.8 Å²	62.8	44%	0.443	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	14.9	-176.9	0	0	0	0	0	114.3	R484 D1076 Q1089	R484-G1078 PolarHBondContact NH2-O 3.29Å; D1076-G1078 PolarHBondContact O-N 2.77Å; D1076-G1078 VanDerWaalsContact O-N 3.13Å; G1078-Q1089 WeakPolarHBondContact O-CG 3.29Å
1079	A	90.3	Very high	89.8	Confident	14 Å²	14	64.1 Å²	64.1	12%	0.116	35%	0.348	C	S	.	.			trans	-60	157.8	170.7	0	0	0	0	0	112.3	D1076 Q1077 V1086 V1087	D1076-A1079 HydrophobicContact CB-CB 4.45Å; D1076-A1079 WeakPolarHBondContact O-CB 3.5Å; D1076-A1079 PolarHBondContact O-N 3.46Å; D1076-A1079 VanDerWaalsContact O-N 3.11Å; Q1077-A1079 VanDerWaalsContact C-N 3.27Å; Q1077-A1079 PolarHBondContact O-N 2.94Å; A1079-V1086 HydrophobicContact CB-CG1 3.73Å; A1079-V1087 CarbonylContact C-O 3.39Å; A1079-V1087 VanDerWaalsContact CA-O 3.25Å; A1079-V1087 WeakPolarHBondContact CA-O 3.42Å; A1079-V1087 VanDerWaalsContact CB-O 3.25Å; A1079-V1087 WeakPolarHBondContact CB-O 3.05Å
1080	L	90.9	Very high	89.7	Confident	48 Å²	48	64.9 Å²	64.9	25%	0.251	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.4	171.4	-51.4	177.6	0	0	0	109.4	L1082 V1087 Q1089 W1163	L1080-L1082 HydrophobicContact CB-CD1 3.99Å; L1080-L1082 HydrophobicContact CB-CD2 4.47Å; L1080-L1082 HydrophobicContact CB-CG 3.9Å; L1080-L1082 HydrophobicContact CD1-CD1 4.13Å; L1080-V1087 HydrophobicContact CB-CB 4.34Å; L1080-V1087 PolarHBondContact N-O 3.43Å; L1080-V1087 PolarHBondContact O-N 3.09Å; L1080-Q1089 HydrophobicContact CD1-CG 4.43Å; L1080-Q1089 HydrophobicContact CD2-CG 4.29Å; L1080-Q1089 HydrophobicContact CG-CG 3.83Å; L1080-W1163 HydrophobicContact CD1-CZ2 4.13Å
1081	H	92	Very high	89.5	Confident	147 Å²	147	68.3 Å²	68.3	68%	0.681	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	103.4	172.2	-66.3	-92.3	0	0	0	108.3
1082	L	87.6	Confident	89.5	Confident	74 Å²	74	69.4 Å²	69.4	39%	0.387	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116.6	-170.6	-61.2	176.8	0	0	0	109.6	L1080 D1084 T1085 V1087	L1080-L1082 HydrophobicContact CB-CD1 3.99Å; L1080-L1082 HydrophobicContact CB-CD2 4.47Å; L1080-L1082 HydrophobicContact CB-CG 3.9Å; L1080-L1082 HydrophobicContact CD1-CD1 4.13Å; L1082-D1084 VanDerWaalsContact C-N 3.33Å; L1082-D1084 PolarHBondContact O-N 2.99Å; L1082-T1085 PolarHBondContact N-O 2.96Å; L1082-T1085 WeakPolarHBondContact O-CA 3.21Å; L1082-T1085 WeakPolarHBondContact O-CB 3.49Å; L1082-T1085 PolarHBondContact O-N 3.15Å; L1082-V1087 HydrophobicContact CD1-CG2 4.33Å
1083	N	80.6	Confident	89.7	Confident	160 Å²	160	69.5 Å²	69.5	86%	0.856	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	50	176.6	-57.2	-30.5	0	0	0	113.4	T1085	N1083-T1085 PolarHBondContact O-N 3.35Å; N1083-T1085 VanDerWaalsContact O-N 3.14Å
1084	D	84	Confident	90	Very high	169 Å²	169	65.2 Å²	65.2	90%	0.904	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-1.7	-175.9	-53.1	-41.8	0	0	0	116	L1082	L1082-D1084 VanDerWaalsContact C-N 3.33Å; L1082-D1084 PolarHBondContact O-N 2.99Å
1085	T	87.4	Confident	90.4	Very high	72 Å²	72	64.1 Å²	64.1	44%	0.442	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.7	171.6	-58.8	0	0	0	0	112.1	L1082 N1083 V1087 A1159	L1082-T1085 PolarHBondContact N-O 2.96Å; L1082-T1085 WeakPolarHBondContact O-CA 3.21Å; L1082-T1085 WeakPolarHBondContact O-CB 3.49Å; L1082-T1085 PolarHBondContact O-N 3.15Å; N1083-T1085 PolarHBondContact O-N 3.35Å; N1083-T1085 VanDerWaalsContact O-N 3.14Å; T1085-V1087 HydrophobicContact CG2-CG2 4.05Å; T1085-A1159 HydrophobicContact CG2-CB 3.96Å
1086	V	92.6	Very high	90.8	Very high	56 Å²	56	61.7 Å²	61.7	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.7	169.9	-175.9	0	0	0	0	109.3	D1076 A1079	D1076-V1086 HydrophobicContact CB-CG1 4.26Å; A1079-V1086 HydrophobicContact CB-CG1 3.73Å
1087	V	94.3	Very high	91.1	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110	-177.5	178.8	0	0	0	0	109.6	A1079 L1080 L1082 T1085 A1159 W1163	A1079-V1087 CarbonylContact C-O 3.39Å; A1079-V1087 VanDerWaalsContact CA-O 3.25Å; A1079-V1087 WeakPolarHBondContact CA-O 3.42Å; A1079-V1087 VanDerWaalsContact CB-O 3.25Å; A1079-V1087 WeakPolarHBondContact CB-O 3.05Å; L1080-V1087 HydrophobicContact CB-CB 4.34Å; L1080-V1087 PolarHBondContact N-O 3.43Å; L1080-V1087 PolarHBondContact O-N 3.09Å; L1082-V1087 HydrophobicContact CD1-CG2 4.33Å; T1085-V1087 HydrophobicContact CG2-CG2 4.05Å; V1087-A1159 HydrophobicContact CG2-CB 4.49Å; V1087-W1163 HydrophobicContact CG1-CB 3.6Å; V1087-W1163 HydrophobicContact CG1-CD2 4.18Å; V1087-W1163 HydrophobicContact CG1-CG 3.71Å; V1087-W1163 HydrophobicContact CG2-CB 4.49Å
1088	P	93.8	Very high	91.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.325	C	S	.	.			trans	-55.5	154.1	176.2	-25.5	34.2	0	0	0	113.1	M1074 R1156 F1160	M1074-P1088 HydrophobicContact SD-CB 3.91Å; M1074-P1088 HydrophobicContact SD-CG 4.26Å; P1088-R1156 HydrophobicContact CG-CB 3.78Å; P1088-R1156 HydrophobicContact CG-CG 3.8Å; P1088-F1160 WeakPolarHBondContact O-CD2 3.43Å
1089	Q	92.7	Very high	91.9	Very high	30 Å²	30	61.3 Å²	61.3	14%	0.14	32%	0.319	C	S	.	.			trans	-127.9	69.3	176.2	-66.9	-70.3	-84.6	0	0	110	G1078 L1080	G1078-Q1089 WeakPolarHBondContact O-CG 3.29Å; L1080-Q1089 HydrophobicContact CD1-CG 4.43Å; L1080-Q1089 HydrophobicContact CD2-CG 4.29Å; L1080-Q1089 HydrophobicContact CG-CG 3.83Å
1090	P	93.7	Very high	92	Very high	23 Å²	23	61.8 Å²	61.8	15%	0.149	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.4	144.7	176.3	26.5	-34.4	0	0	0	110.9	Y1069 L1071 M1074 F1160	Y1069-P1090 HydrophobicContact CD1-CB 4.24Å; Y1069-P1090 HydrophobicContact CD1-CG 3.84Å; Y1069-P1090 WeakPolarHBondContact CD1-O 3.3Å; Y1069-P1090 HydrophobicContact CG-CG 4.24Å; L1071-P1090 HydrophobicContact CD2-CG 4.49Å; M1074-P1090 HydrophobicContact CG-CB 4.32Å; M1074-P1090 HydrophobicContact SD-CG 4.27Å; P1090-F1160 HydrophobicContact CG-CD1 4.1Å; P1090-F1160 HydrophobicContact CG-CD2 4.33Å; P1090-F1160 HydrophobicContact CG-CE1 3.58Å; P1090-F1160 HydrophobicContact CG-CE2 3.85Å; P1090-F1160 HydrophobicContact CG-CG 4.45Å; P1090-F1160 HydrophobicContact CG-CZ 3.45Å; P1090-F1160 VanDerWaalsContact CG-CZ 3.45Å
1091	H	92.5	Very high	92.2	Very high	124 Å²	124	61 Å²	61	57%	0.574	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-70.9	145	-178.9	-65.6	171.3	0	0	0	112.2	S483	S483-H1091 VanDerWaalsContact O-CA 3.31Å; S483-H1091 WeakPolarHBondContact O-CA 3.48Å
1092	L	94.3	Very high	92.2	Very high	23 Å²	23	63.7 Å²	63.7	12%	0.12	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.5	142.2	168	-70.6	174.7	0	0	0	111.6	S483 P485 D1067 L1068 Y1069	S483-L1092 PolarHBondContact O-N 2.8Å; S483-L1092 VanDerWaalsContact O-N 3.09Å; P485-L1092 HydrophobicContact CG-CD1 4.28Å; D1067-L1092 HydrophobicContact CB-CD2 3.62Å; D1067-L1092 WeakPolarHBondContact OD1-CD2 3.33Å; L1068-L1092 CarbonylContact O-C 3.48Å; Y1069-L1092 HydrophobicContact CD1-CD2 4.26Å; Y1069-L1092 HydrophobicContact CE1-CD2 3.54Å; Y1069-L1092 HydrophobicContact CE1-CG 4.25Å; Y1069-L1092 HydrophobicContact CE2-CD2 4.46Å
1093	L	95.4	Very high	92.5	Very high	38 Å²	38	63.9 Å²	63.9	20%	0.199	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-115.8	148.6	176.7	-59.8	178.3	0	0	0	111	L1068 R1070 R1099 F1106	L1068-L1093 HydrophobicContact CB-CB 4.29Å; L1068-L1093 HydrophobicContact CD2-CB 4.08Å; L1068-L1093 HydrophobicContact CG-CB 4.06Å; L1068-L1093 HydrophobicContact CG-CD1 4.46Å; L1068-L1093 WeakPolarHBondContact O-CB 3.25Å; L1068-L1093 PolarHBondContact O-N 2.92Å; R1070-L1093 HydrophobicContact CB-CD1 4.12Å; L1093-R1099 HydrophobicContact CB-CB 4.4Å; L1093-F1106 HydrophobicContact CD1-CD1 3.94Å; L1093-F1106 HydrophobicContact CD1-CE1 3.89Å
1094	H	96	Very high	93.1	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.051	28%	0.283	C	S	.	.			trans	-60.1	141.4	170.9	-85	-103.4	0	0	0	111.6	R478 L480 L481 S1096 R1099 E1193	R478-H1094 PolarHBondContact O-CE1 3.18Å; R478-H1094 PolarHBondContact O-NE2 2.96Å; L480-H1094 PolarHBondContact N-NE2 2.97Å; L481-H1094 HydrophobicContact CD1-CB 4.39Å; L481-H1094 PolarHBondContact N-NE2 3.3Å; H1094-S1096 PolarHBondContact O-N 3.37Å; H1094-R1099 HydrophobicContact CB-CG 3.99Å; H1094-R1099 WeakPolarHBondContact O-CG 3.38Å; H1094-E1193 VanDerWaalsContact CA-OE1 3.31Å; H1094-E1193 WeakPolarHBondContact CA-OE1 3.34Å; H1094-E1193 VanDerWaalsContact CB-OE1 3.22Å; H1094-E1193 WeakPolarHBondContact CB-OE1 3.47Å; H1094-E1193 IonicContact CE1-OE2 2.73Å; H1094-E1193 IonicContact CG-OE1 2.7Å; H1094-E1193 IonicContact CG-OE2 3.06Å; H1094-E1193 VanDerWaalsContact ND1-CD 3.27Å; H1094-E1193 IonicContact ND1-OE1 2.71Å; H1094-E1193 PolarHBondContact ND1-OE1 2.87Å; H1094-E1193 IonicContact ND1-OE2 3.79Å; H1094-E1193 PolarHBondContact ND1-OE2 3.44Å
1095	L	96.3	Very high	93.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-81.6	62.1	-177.7	-71.9	179.2	0	0	0	111	H1065 P1066 L1068 M1108 L1191 V1192 E1193	H1065-L1095 HydrophobicContact CB-CD1 4.31Å; H1065-L1095 VanDerWaalsContact CE1-CD1 3.49Å; H1065-L1095 WeakPolarHBondContact CE1-CD1 3.41Å; H1065-L1095 WeakPolarHBondContact ND1-CD1 3.16Å; P1066-L1095 HydrophobicContact CB-CD2 4.46Å; L1068-L1095 HydrophobicContact CB-CD2 3.87Å; L1068-L1095 HydrophobicContact CD2-CD2 4.31Å; L1095-M1108 HydrophobicContact CD2-CE 3.98Å; L1095-L1191 CarbonylContact O-C 3.51Å; L1095-L1191 WeakPolarHBondContact O-CA 3.38Å; L1095-V1192 HydrophobicContact CB-CG2 4.02Å; L1095-V1192 HydrophobicContact CD1-CG2 3.72Å; L1095-V1192 PolarHBondContact O-N 3.42Å; L1095-E1193 PolarHBondContact N-OE1 3.03Å; L1095-E1193 WeakPolarHBondContact O-CB 3.42Å; L1095-E1193 PolarHBondContact O-N 3.41Å
1096	S	95.1	Very high	94.1	Very high	11 Å²	11	44.9 Å²	44.9	8%	0.077	22%	0.219	C	C	.	.	S	Bend	trans	-137.2	144.7	177.1	172.5	0	0	0	0	110.9	H1094 E1098 R1099 D1194	H1094-S1096 PolarHBondContact O-N 3.37Å; S1096-E1098 PolarHBondContact O-N 2.95Å; S1096-E1098 VanDerWaalsContact O-N 3.13Å; S1096-E1098 PolarHBondContact OG-N 3.27Å; S1096-E1098 VanDerWaalsContact OG-N 3.16Å; S1096-R1099 PolarHBondContact O-N 3.13Å; S1096-D1194 WeakPolarHBondContact CA-OD1 3.5Å; S1096-D1194 WeakPolarHBondContact CA-OD2 3.33Å; S1096-D1194 VanDerWaalsContact CB-OD1 3.23Å; S1096-D1194 WeakPolarHBondContact CB-OD1 3.41Å; S1096-D1194 PolarHBondContact OG-OD1 2.69Å
1097	A	93.2	Very high	94.3	Very high	38 Å²	38	42.2 Å²	42.2	31%	0.314	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-58.6	-19.6	172	0	0	0	0	0	113.1	R1099 L1100 F1188 L1191 D1194	A1097-R1099 PolarHBondContact O-N 2.78Å; A1097-L1100 PolarHBondContact O-N 3.16Å; A1097-L1100 VanDerWaalsContact O-N 3.15Å; A1097-F1188 HydrophobicContact CB-CE2 4.13Å; A1097-L1191 HydrophobicContact CB-CD1 4.09Å; A1097-D1194 WeakPolarHBondContact CB-OD2 3.49Å; A1097-D1194 PolarHBondContact N-OD2 3.03Å
1098	E	93.8	Very high	94.4	Very high	156 Å²	156	41.9 Å²	41.9	73%	0.729	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-58.7	-24.6	170.5	-68.8	-166.5	169.7	0	0	112.9	S1096	S1096-E1098 PolarHBondContact O-N 2.95Å; S1096-E1098 VanDerWaalsContact O-N 3.13Å; S1096-E1098 PolarHBondContact OG-N 3.27Å; S1096-E1098 VanDerWaalsContact OG-N 3.16Å
1099	R	93.9	Very high	94.5	Very high	87 Å²	87	41.9 Å²	41.9	33%	0.328	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-90.6	-14.6	178.6	-53.9	-57.3	-175.1	150.3	5.2	113.5	N479 L1093 H1094 S1096 A1097 S1101 F1106	N479-R1099 PolarHBondContact OD1-NH2 2.83Å; L1093-R1099 HydrophobicContact CB-CB 4.4Å; H1094-R1099 HydrophobicContact CB-CG 3.99Å; H1094-R1099 WeakPolarHBondContact O-CG 3.38Å; S1096-R1099 PolarHBondContact O-N 3.13Å; A1097-R1099 PolarHBondContact O-N 2.78Å; R1099-S1101 PolarHBondContact O-N 2.79Å; R1099-F1106 VanDerWaalsContact O-CE1 3.28Å; R1099-F1106 WeakPolarHBondContact O-CE1 3.25Å; R1099-F1106 WeakPolarHBondContact O-CZ 3.25Å
1100	L	93	Very high	94.5	Very high	24 Å²	24	40.6 Å²	40.6	13%	0.126	20%	0.195	C	C	.	.			trans	-86.9	85.3	-178.5	-63.4	-177.9	0	0	0	111.3	L1068 A1097 F1106 L1187 F1188 L1191	L1068-L1100 HydrophobicContact CD1-CD2 4.38Å; L1068-L1100 HydrophobicContact CD2-CD2 4.24Å; A1097-L1100 PolarHBondContact O-N 3.16Å; A1097-L1100 VanDerWaalsContact O-N 3.15Å; L1100-F1106 HydrophobicContact CD2-CB 3.96Å; L1100-F1106 HydrophobicContact CD2-CD1 3.91Å; L1100-F1106 HydrophobicContact CD2-CD2 3.95Å; L1100-F1106 HydrophobicContact CD2-CE1 4.4Å; L1100-F1106 HydrophobicContact CD2-CE2 4.44Å; L1100-F1106 HydrophobicContact CD2-CG 3.66Å; L1100-L1187 HydrophobicContact CD1-CD2 4.03Å; L1100-F1188 HydrophobicContact CD1-CE1 4.31Å; L1100-L1191 HydrophobicContact CD1-CD1 3.88Å; L1100-L1191 HydrophobicContact CD1-CD2 4.4Å
1101	S	93.6	Very high	94.4	Very high	32 Å²	32	39.5 Å²	39.5	22%	0.224	19%	0.188	C	C	.	.			trans	-70.7	149.2	179.9	79.8	0	0	0	0	112.6	R1070 R1099 D1103 G1104 S1119	R1070-S1101 PolarHBondContact NH1-OG 3.1Å; R1099-S1101 PolarHBondContact O-N 2.79Å; S1101-D1103 WeakPolarHBondContact CB-OD1 3.33Å; S1101-D1103 PolarHBondContact O-N 2.9Å; S1101-D1103 PolarHBondContact OG-OD1 2.8Å; S1101-G1104 PolarHBondContact O-N 2.77Å; S1101-S1119 WeakPolarHBondContact O-CB 3.28Å; S1101-S1119 PolarHBondContact O-OG 3.26Å
1102	R	91.6	Very high	94.1	Very high	202 Å²	202	36.7 Å²	36.7	76%	0.762	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-15.8	-173	-64.8	-175.5	-179	-176.4	0.9	114.1	S1119 C1121	R1102-S1119 VanDerWaalsContact C-CB 3.46Å; R1102-S1119 WeakPolarHBondContact O-CB 3.24Å; R1102-C1121 CarbonylContact O-C 3.52Å; R1102-C1121 VanDerWaalsContact O-CA 3.3Å; R1102-C1121 WeakPolarHBondContact O-CA 3.19Å; R1102-C1121 VanDerWaalsContact O-CB 3.26Å; R1102-C1121 WeakPolarHBondContact O-CB 3.25Å; R1102-C1121 PolarHBondContact O-N 3.04Å
1103	D	93.9	Very high	94	Very high	78 Å²	78	36.2 Å²	36.2	42%	0.417	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.7	-178	63.6	-51.1	0	0	0	113.9	R1070 S1101 C1122	R1070-D1103 IonicContact CZ-OD2 3Å; R1070-D1103 IonicContact NH1-OD2 2.82Å; R1070-D1103 IonicContact NH2-OD1 3.73Å; R1070-D1103 IonicContact NH2-OD2 3.68Å; R1070-D1103 PolarHBondContact NH2-OD2 3.47Å; S1101-D1103 WeakPolarHBondContact CB-OD1 3.33Å; S1101-D1103 PolarHBondContact O-N 2.9Å; S1101-D1103 PolarHBondContact OG-OD1 2.8Å; D1103-C1122 WeakPolarHBondContact O-CA 3.44Å
1104	G	94.2	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.			trans	-96.2	169.8	-173.1	0	0	0	0	0	115.5	D1072 S1101 S1119	D1072-G1104 WeakPolarHBondContact OD1-CA 3.27Å; S1101-G1104 PolarHBondContact O-N 2.77Å; G1104-S1119 WeakPolarHBondContact O-CB 3.45Å; G1104-S1119 PolarHBondContact O-N 3.3Å
1105	A	96.1	Very high	93.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.2	165.7	0	0	0	0	0	109	L1071 D1072 W1117 I1118 F1126	L1071-A1105 PolarHBondContact N-O 2.69Å; D1072-A1105 HydrophobicContact CB-CB 4.22Å; D1072-A1105 PolarHBondContact OD1-N 3.12Å; A1105-W1117 CarbonylContact C-O 3.52Å; A1105-W1117 WeakPolarHBondContact CA-O 3.29Å; A1105-I1118 HydrophobicContact CB-CD1 3.83Å; A1105-F1126 HydrophobicContact CB-CD1 3.81Å; A1105-F1126 HydrophobicContact CB-CD2 4.32Å; A1105-F1126 HydrophobicContact CB-CE1 3.47Å; A1105-F1126 VanDerWaalsContact CB-CE1 3.47Å; A1105-F1126 HydrophobicContact CB-CE2 4Å; A1105-F1126 HydrophobicContact CB-CG 4.24Å; A1105-F1126 HydrophobicContact CB-CZ 3.57Å
1106	F	96.3	Very high	93.7	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.3	-167.9	-62.2	-93.6	0	0	0	111.6	L1068 Y1069 R1070 L1093 R1099 L1100 L1116 W1117	L1068-F1106 HydrophobicContact CD1-CB 4.19Å; Y1069-F1106 CarbonylContact O-C 3.59Å; Y1069-F1106 WeakPolarHBondContact O-CA 3.47Å; R1070-F1106 HydrophobicContact CB-CD1 3.92Å; R1070-F1106 HydrophobicContact CB-CE1 3.77Å; R1070-F1106 HydrophobicContact CG-CD1 4.14Å; R1070-F1106 HydrophobicContact CG-CE1 3.75Å; R1070-F1106 HydrophobicContact CG-CZ 4.09Å; L1093-F1106 HydrophobicContact CD1-CD1 3.94Å; L1093-F1106 HydrophobicContact CD1-CE1 3.89Å; R1099-F1106 VanDerWaalsContact O-CE1 3.28Å; R1099-F1106 WeakPolarHBondContact O-CE1 3.25Å; R1099-F1106 WeakPolarHBondContact O-CZ 3.25Å; L1100-F1106 HydrophobicContact CD2-CB 3.96Å; L1100-F1106 HydrophobicContact CD2-CD1 3.91Å; L1100-F1106 HydrophobicContact CD2-CD2 3.95Å; L1100-F1106 HydrophobicContact CD2-CE1 4.4Å; L1100-F1106 HydrophobicContact CD2-CE2 4.44Å; L1100-F1106 HydrophobicContact CD2-CG 3.66Å; F1106-L1116 CarbonylContact O-C 3.6Å; F1106-L1116 WeakPolarHBondContact O-CA 3.31Å; F1106-W1117 HydrophobicContact CB-CB 4.41Å; F1106-W1117 PolarHBondContact N-O 3.17Å; F1106-W1117 PolarHBondContact O-N 3.44Å
1107	L	96.9	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.9	174.7	-175.7	74.4	0	0	0	109.6	L1068 Y1069 L1071 F1114 Y1115 L1116 F1160 L1161 L1164 I1174	L1068-L1107 WeakPolarHBondContact CA-O 3.13Å; Y1069-L1107 HydrophobicContact CD2-CD2 4.47Å; Y1069-L1107 PolarHBondContact N-O 3.19Å; Y1069-L1107 PolarHBondContact O-N 2.84Å; L1071-L1107 HydrophobicContact CD1-CB 3.78Å; L1071-L1107 HydrophobicContact CD1-CD2 4.4Å; L1071-L1107 HydrophobicContact CD2-CB 4.1Å; L1071-L1107 HydrophobicContact CG-CB 3.86Å; L1107-F1114 HydrophobicContact CD1-CB 4.03Å; L1107-F1114 HydrophobicContact CD1-CD1 4.34Å; L1107-F1114 HydrophobicContact CD1-CG 4.47Å; L1107-F1114 HydrophobicContact CD2-CD1 4.47Å; L1107-Y1115 WeakPolarHBondContact CA-O 3.33Å; L1107-L1116 HydrophobicContact CD1-CB 4.29Å; L1107-F1160 HydrophobicContact CD2-CD1 4.27Å; L1107-F1160 HydrophobicContact CD2-CE1 3.94Å; L1107-L1161 HydrophobicContact CD1-CD2 3.93Å; L1107-L1161 HydrophobicContact CD2-CD2 3.63Å; L1107-L1161 HydrophobicContact CG-CD2 4.45Å; L1107-L1164 HydrophobicContact CD2-CD1 3.79Å; L1107-I1174 HydrophobicContact CD1-CD1 4.26Å
1108	M	96.6	Very high	93.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121	170.1	-173.3	-178.7	-73.8	0	0	109.6	P1066 D1067 L1068 L1095 F1114 Y1115 L1187 H1190 L1191	P1066-M1108 HydrophobicContact CB-CG 3.63Å; P1066-M1108 HydrophobicContact CB-SD 4.08Å; P1066-M1108 HydrophobicContact CG-SD 4.41Å; D1067-M1108 WeakPolarHBondContact O-CA 3.26Å; L1068-M1108 HydrophobicContact CD1-CB 4.07Å; L1068-M1108 HydrophobicContact CD1-CE 4.12Å; L1095-M1108 HydrophobicContact CD2-CE 3.98Å; M1108-F1114 WeakPolarHBondContact O-CA 3.4Å; M1108-Y1115 PolarHBondContact N-O 3.27Å; M1108-Y1115 PolarHBondContact O-N 2.94Å; M1108-L1187 HydrophobicContact CB-CD1 4.19Å; M1108-L1187 HydrophobicContact CE-CD1 3.79Å; M1108-L1187 HydrophobicContact CE-CG 4.05Å; M1108-L1187 HydrophobicContact SD-CD1 3.71Å; M1108-L1187 HydrophobicContact SD-CG 4.43Å; M1108-H1190 HydrophobicContact CE-CB 4.08Å; M1108-H1190 HydrophobicContact SD-CB 3.45Å; M1108-H1190 WeakPolarHBondContact SD-CB 3.18Å; M1108-L1191 HydrophobicContact CE-CD2 3.84Å
1109	D	95.6	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	101.7	173.6	178.9	6.2	0	0	0	110	R1062 P1066 D1067 G1111 F1114 R1168	R1062-D1109 WeakPolarHBondContact CD-OD2 3.46Å; R1062-D1109 IonicContact CZ-OD2 3.96Å; R1062-D1109 IonicContact NE-OD2 3.23Å; R1062-D1109 PolarHBondContact NE-OD2 3.3Å; P1066-D1109 VanDerWaalsContact CA-O 3.32Å; P1066-D1109 WeakPolarHBondContact CA-O 3.42Å; P1066-D1109 WeakPolarHBondContact CB-O 3.34Å; D1067-D1109 HydrophobicContact CB-CB 4.3Å; D1067-D1109 PolarHBondContact N-O 3.48Å; D1067-D1109 VanDerWaalsContact N-O 3.12Å; D1067-D1109 PolarHBondContact O-N 2.94Å; D1109-G1111 PolarHBondContact O-N 2.65Å; D1109-G1111 WeakPolarHBondContact OD1-CA 3.29Å; D1109-G1111 PolarHBondContact OD1-N 3.31Å; D1109-F1114 HydrophobicContact CB-CD1 3.83Å; D1109-F1114 HydrophobicContact CB-CE1 3.72Å; D1109-F1114 VanDerWaalsContact CG-CE1 3.46Å; D1109-R1168 IonicContact OD1-CZ 3.46Å; D1109-R1168 IonicContact OD1-NH1 2.7Å; D1109-R1168 PolarHBondContact OD1-NH1 3.11Å; D1109-R1168 IonicContact OD1-NH2 3.43Å; D1109-R1168 IonicContact OD2-CZ 3.19Å; D1109-R1168 IonicContact OD2-NH1 3.26Å; D1109-R1168 PolarHBondContact OD2-NH1 3.26Å; D1109-R1168 IonicContact OD2-NH2 3.47Å; D1109-R1168 PolarHBondContact OD2-NH2 2.83Å
1110	C	93.2	Very high	93.6	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.02	13%	0.132	C	C	.	.			trans	-86.1	12.7	176.4	-64	0	0	0	0	112.8	P1066 N1112 V1113	P1066-C1110 HydrophobicContact CG-CB 4.33Å; C1110-N1112 PolarHBondContact O-N 3.46Å; C1110-V1113 HydrophobicContact CB-CG1 3.9Å; C1110-V1113 PolarHBondContact N-O 2.8Å
1111	G	90.3	Very high	93.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	81.5	-43.2	-178	0	0	0	0	0	113.7	Q1059 D1109 R1168 S1172	Q1059-G1111 PolarHBondContact NE2-O 3.42Å; Q1059-G1111 PolarHBondContact OE1-O 2.99Å; D1109-G1111 PolarHBondContact O-N 2.65Å; D1109-G1111 WeakPolarHBondContact OD1-CA 3.29Å; D1109-G1111 PolarHBondContact OD1-N 3.31Å; G1111-R1168 PolarHBondContact O-NH1 3.09Å; G1111-S1172 PolarHBondContact O-OG 2.94Å
1112	N	87.6	Confident	93.7	Very high	64 Å²	64	30.5 Å²	30.5	34%	0.342	15%	0.146	S	C	.	.	S	Bend	trans	-112.2	-1.1	-178.9	73.2	-17.4	0	0	0	114.7	C1110 P1173	C1110-N1112 PolarHBondContact O-N 3.46Å; N1112-P1173 WeakPolarHBondContact O-CD 3.4Å
1113	V	90.5	Very high	93.7	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.079	13%	0.133	C	C	.	.			trans	-158.8	144.8	176.1	61.1	0	0	0	0	108.9	C1110 Y1115 P1173	C1110-V1113 HydrophobicContact CB-CG1 3.9Å; C1110-V1113 PolarHBondContact N-O 2.8Å; V1113-Y1115 HydrophobicContact CG1-CD2 4.35Å; V1113-Y1115 HydrophobicContact CG1-CE2 3.69Å; V1113-Y1115 HydrophobicContact CG2-CD1 4.44Å; V1113-Y1115 HydrophobicContact CG2-CE1 4.05Å; V1113-P1173 HydrophobicContact CG2-CG 4.35Å
1114	F	93.9	Very high	93.7	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131	166.8	-63.3	-68.7	0	0	0	110.5	L1107 M1108 D1109 L1161 L1164 Q1165 P1173 I1174 H1175	L1107-F1114 HydrophobicContact CD1-CB 4.03Å; L1107-F1114 HydrophobicContact CD1-CD1 4.34Å; L1107-F1114 HydrophobicContact CD1-CG 4.47Å; L1107-F1114 HydrophobicContact CD2-CD1 4.47Å; M1108-F1114 WeakPolarHBondContact O-CA 3.4Å; D1109-F1114 HydrophobicContact CB-CD1 3.83Å; D1109-F1114 HydrophobicContact CB-CE1 3.72Å; D1109-F1114 VanDerWaalsContact CG-CE1 3.46Å; F1114-L1161 HydrophobicContact CD2-CD2 4.43Å; F1114-L1161 HydrophobicContact CG-CD2 4.4Å; F1114-L1164 HydrophobicContact CE1-CB 4.01Å; F1114-L1164 HydrophobicContact CE1-CD1 3.92Å; F1114-L1164 HydrophobicContact CZ-CB 3.74Å; F1114-L1164 HydrophobicContact CZ-CD1 4.44Å; F1114-Q1165 HydrophobicContact CE2-CG 4.16Å; F1114-P1173 PolarHBondContact N-O 3.37Å; F1114-I1174 HydrophobicContact CB-CB 4.06Å; F1114-I1174 HydrophobicContact CB-CD1 4.32Å; F1114-I1174 HydrophobicContact CB-CG1 3.88Å; F1114-I1174 CarbonylContact O-C 3.47Å; F1114-I1174 WeakPolarHBondContact O-CA 3.42Å; F1114-H1175 PolarHBondContact O-N 2.93Å
1115	Y	94.1	Very high	93.7	Very high	30 Å²	30	30 Å²	30	12%	0.118	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	115.8	167.6	-64	-62	0	0	0	109.8	L1107 M1108 V1113 H1175 I1177 T1186 L1187	L1107-Y1115 WeakPolarHBondContact CA-O 3.33Å; M1108-Y1115 PolarHBondContact N-O 3.27Å; M1108-Y1115 PolarHBondContact O-N 2.94Å; V1113-Y1115 HydrophobicContact CG1-CD2 4.35Å; V1113-Y1115 HydrophobicContact CG1-CE2 3.69Å; V1113-Y1115 HydrophobicContact CG2-CD1 4.44Å; V1113-Y1115 HydrophobicContact CG2-CE1 4.05Å; Y1115-H1175 WeakPolarHBondContact CA-O 3.43Å; Y1115-H1175 HydrophobicContact CD1-CB 4.02Å; Y1115-H1175 HydrophobicContact CE1-CB 4.26Å; Y1115-I1177 HydrophobicContact CD1-CD1 3.41Å; Y1115-I1177 VanDerWaalsContact CD1-CD1 3.41Å; Y1115-I1177 HydrophobicContact CD1-CG1 4.35Å; Y1115-I1177 HydrophobicContact CE1-CD1 3.97Å; Y1115-I1177 HydrophobicContact CG-CD1 4.06Å; Y1115-T1186 HydrophobicContact CE1-CG2 4.07Å; Y1115-L1187 HydrophobicContact CD2-CD1 4.14Å; Y1115-L1187 HydrophobicContact CG-CD1 4.17Å
1116	L	95.3	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	95.3	170.3	178.3	53.1	0	0	0	109.1	L1071 F1106 L1107 I1118 L1131 I1146 I1174 H1175 I1176 I1177	L1071-L1116 HydrophobicContact CD1-CD1 4.04Å; F1106-L1116 CarbonylContact O-C 3.6Å; F1106-L1116 WeakPolarHBondContact O-CA 3.31Å; L1107-L1116 HydrophobicContact CD1-CB 4.29Å; L1116-I1118 HydrophobicContact CD1-CD1 4.17Å; L1116-I1118 HydrophobicContact CD2-CD1 4.39Å; L1116-I1118 HydrophobicContact CG-CD1 3.91Å; L1116-L1131 HydrophobicContact CD2-CD2 4.23Å; L1116-I1146 HydrophobicContact CD2-CD1 3.6Å; L1116-I1174 HydrophobicContact CB-CD1 4.24Å; L1116-I1174 HydrophobicContact CB-CG1 4.5Å; L1116-H1175 PolarHBondContact N-O 3.27Å; L1116-I1176 HydrophobicContact CB-CG1 4.18Å; L1116-I1176 HydrophobicContact CD2-CG1 4.26Å; L1116-I1176 WeakPolarHBondContact O-CA 3.34Å; L1116-I1177 PolarHBondContact O-N 3.1Å
1117	W	94.3	Very high	93.7	Very high	7 Å²	7	30 Å²	30	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.5	177.6	174.4	-83.2	0	0	0	111.1	A1105 F1106 S1119 I1177 D1179 K1184 L1187 F1188	A1105-W1117 CarbonylContact C-O 3.52Å; A1105-W1117 WeakPolarHBondContact CA-O 3.29Å; F1106-W1117 HydrophobicContact CB-CB 4.41Å; F1106-W1117 PolarHBondContact N-O 3.17Å; F1106-W1117 PolarHBondContact O-N 3.44Å; W1117-S1119 PolarHBondContact NE1-OG 2.95Å; W1117-I1177 HydrophobicContact CD2-CG2 4.35Å; W1117-I1177 HydrophobicContact CE3-CB 4.41Å; W1117-I1177 HydrophobicContact CE3-CG2 3.35Å; W1117-I1177 HydrophobicContact CZ3-CG2 3.61Å; W1117-D1179 HydrophobicContact CH2-CB 4.09Å; W1117-D1179 HydrophobicContact CZ2-CB 3.65Å; W1117-K1184 HydrophobicContact CH2-CD 4.35Å; W1117-K1184 HydrophobicContact CH2-CG 3.54Å; W1117-K1184 HydrophobicContact CZ3-CG 4.02Å; W1117-L1187 HydrophobicContact CB-CD2 4.07Å; W1117-L1187 HydrophobicContact CD2-CD2 3.83Å; W1117-L1187 HydrophobicContact CE3-CB 4.35Å; W1117-L1187 HydrophobicContact CE3-CD2 3.54Å; W1117-L1187 HydrophobicContact CG-CD2 4.05Å; W1117-L1187 HydrophobicContact CZ3-CD2 4.34Å; W1117-F1188 HydrophobicContact CH2-CE1 4.24Å; W1117-F1188 HydrophobicContact CZ3-CE1 4.41Å
1118	I	94.6	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.9	174	-50.1	-57.2	0	0	0	108.7	A1105 L1116 C1122 F1126 I1127 L1131 Y1136 I1139 I1176 I1177 D1179	A1105-I1118 HydrophobicContact CB-CD1 3.83Å; L1116-I1118 HydrophobicContact CD1-CD1 4.17Å; L1116-I1118 HydrophobicContact CD2-CD1 4.39Å; L1116-I1118 HydrophobicContact CG-CD1 3.91Å; I1118-C1122 HydrophobicContact CG2-CB 3.71Å; I1118-F1126 HydrophobicContact CD1-CD1 4.36Å; I1118-F1126 HydrophobicContact CD1-CE1 3.73Å; I1118-I1127 HydrophobicContact CG2-CD1 4.45Å; I1118-I1127 HydrophobicContact CG2-CG1 4.48Å; I1118-L1131 HydrophobicContact CD1-CD1 3.95Å; I1118-L1131 HydrophobicContact CG1-CD1 4.01Å; I1118-Y1136 HydrophobicContact CG2-CD2 3.94Å; I1118-Y1136 HydrophobicContact CG2-CE2 4.14Å; I1118-I1139 HydrophobicContact CB-CD1 4.43Å; I1118-I1139 HydrophobicContact CG1-CD1 4.42Å; I1118-I1139 HydrophobicContact CG2-CD1 3.93Å; I1118-I1176 HydrophobicContact CG1-CG2 4.04Å; I1118-I1177 PolarHBondContact N-O 3.1Å; I1118-D1179 PolarHBondContact O-N 3.29Å
1119	S	92.9	Very high	93.7	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.028	19%	0.189	C	C	.	.			trans	-69.4	152.3	176.6	-69.2	0	0	0	0	112	S1101 R1102 G1104 W1117 C1121 C1122	S1101-S1119 WeakPolarHBondContact O-CB 3.28Å; S1101-S1119 PolarHBondContact O-OG 3.26Å; R1102-S1119 VanDerWaalsContact C-CB 3.46Å; R1102-S1119 WeakPolarHBondContact O-CB 3.24Å; G1104-S1119 WeakPolarHBondContact O-CB 3.45Å; G1104-S1119 PolarHBondContact O-N 3.3Å; W1117-S1119 PolarHBondContact NE1-OG 2.95Å; S1119-C1121 PolarHBondContact O-N 3.28Å; S1119-C1121 VanDerWaalsContact O-N 3.09Å; S1119-C1122 WeakPolarHBondContact O-CB 3.4Å; S1119-C1122 PolarHBondContact O-N 2.93Å
1120	K	91.3	Very high	93.8	Very high	141 Å²	141	37.8 Å²	37.8	61%	0.613	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26	-171.9	-176.5	170.1	179.1	175.8	0	115.8	Y1136 D1179	K1120-Y1136 HydrophobicContact CB-CE1 4.46Å; K1120-Y1136 HydrophobicContact CG-CE1 4.11Å; K1120-D1179 HydrophobicContact CB-CB 4.03Å; K1120-D1179 WeakPolarHBondContact CB-OD2 3.27Å; K1120-D1179 PolarHBondContact N-OD2 2.91Å
1121	C	93.7	Very high	93.9	Very high	87 Å²	87	37.8 Å²	37.8	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	21.8	176.9	-52.4	0	0	0	0	112.3	R1102 S1119	R1102-C1121 CarbonylContact O-C 3.52Å; R1102-C1121 VanDerWaalsContact O-CA 3.3Å; R1102-C1121 WeakPolarHBondContact O-CA 3.19Å; R1102-C1121 VanDerWaalsContact O-CB 3.26Å; R1102-C1121 WeakPolarHBondContact O-CB 3.25Å; R1102-C1121 PolarHBondContact O-N 3.04Å; S1119-C1121 PolarHBondContact O-N 3.28Å; S1119-C1121 VanDerWaalsContact O-N 3.09Å
1122	C	94.6	Very high	94.2	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.047	21%	0.214	C	C	.	.			trans	-56.1	138.1	177.9	-175.9	0	0	0	0	111.5	D1103 I1118 S1119 E1124 I1127	D1103-C1122 WeakPolarHBondContact O-CA 3.44Å; I1118-C1122 HydrophobicContact CG2-CB 3.71Å; S1119-C1122 WeakPolarHBondContact O-CB 3.4Å; S1119-C1122 PolarHBondContact O-N 2.93Å; C1122-E1124 PolarHBondContact O-N 2.74Å; C1122-I1127 HydrophobicContact CB-CD1 4.23Å
1123	N	92.7	Very high	94.6	Very high	93 Å²	93	37.9 Å²	37.9	50%	0.497	20%	0.202	S	C	.	.			trans	-56.2	123.6	-176.9	-177.1	-13.4	0	0	0	111.1	T1125 F1126 I1127	N1123-T1125 PolarHBondContact O-N 2.95Å; N1123-T1125 WeakPolarHBondContact OD1-CB 3.31Å; N1123-T1125 PolarHBondContact OD1-N 3.29Å; N1123-T1125 PolarHBondContact OD1-OG1 2.85Å; N1123-F1126 WeakPolarHBondContact O-CB 3.48Å; N1123-F1126 PolarHBondContact O-N 3.39Å; N1123-I1127 PolarHBondContact O-N 2.95Å
1124	E	93.8	Very high	94.8	Very high	120 Å²	120	41.7 Å²	41.7	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-57.4	-23.4	179.8	-61.8	-172.9	145.2	0	0	112.9	C1122 I1127 R1128	C1122-E1124 PolarHBondContact O-N 2.74Å; E1124-I1127 PolarHBondContact O-N 3.39Å; E1124-R1128 VanDerWaalsContact O-CB 3.25Å; E1124-R1128 WeakPolarHBondContact O-CB 3.45Å; E1124-R1128 PolarHBondContact O-N 2.93Å
1125	T	94.6	Very high	94.8	Very high	57 Å²	57	43 Å²	43	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-47.4	170.1	-50.4	0	0	0	0	111.6	N1123 D1129	N1123-T1125 PolarHBondContact O-N 2.95Å; N1123-T1125 WeakPolarHBondContact OD1-CB 3.31Å; N1123-T1125 PolarHBondContact OD1-N 3.29Å; N1123-T1125 PolarHBondContact OD1-OG1 2.85Å; T1125-D1129 VanDerWaalsContact CG2-OD2 3.27Å; T1125-D1129 WeakPolarHBondContact CG2-OD2 3.36Å; T1125-D1129 WeakPolarHBondContact O-CB 3.1Å; T1125-D1129 PolarHBondContact O-N 2.89Å
1126	F	95.7	Very high	94.8	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.013	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-44	176.1	-178.1	-85.1	0	0	0	111	L1071 D1072 A1105 I1118 N1123 R1128 D1129 V1130 L1131 L1153 V1157	L1071-F1126 HydrophobicContact CB-CE2 4.02Å; L1071-F1126 HydrophobicContact CB-CZ 4.31Å; D1072-F1126 HydrophobicContact CB-CD2 3.88Å; D1072-F1126 HydrophobicContact CB-CE2 4.44Å; D1072-F1126 HydrophobicContact CB-CG 4.32Å; A1105-F1126 HydrophobicContact CB-CD1 3.81Å; A1105-F1126 HydrophobicContact CB-CD2 4.32Å; A1105-F1126 HydrophobicContact CB-CE1 3.47Å; A1105-F1126 VanDerWaalsContact CB-CE1 3.47Å; A1105-F1126 HydrophobicContact CB-CE2 4Å; A1105-F1126 HydrophobicContact CB-CG 4.24Å; A1105-F1126 HydrophobicContact CB-CZ 3.57Å; I1118-F1126 HydrophobicContact CD1-CD1 4.36Å; I1118-F1126 HydrophobicContact CD1-CE1 3.73Å; N1123-F1126 WeakPolarHBondContact O-CB 3.48Å; N1123-F1126 PolarHBondContact O-N 3.39Å; F1126-R1128 VanDerWaalsContact C-N 3.34Å; F1126-R1128 PolarHBondContact O-N 3.43Å; F1126-D1129 PolarHBondContact O-N 2.86Å; F1126-V1130 HydrophobicContact CD1-CB 4.43Å; F1126-V1130 HydrophobicContact CD2-CB 4.48Å; F1126-V1130 HydrophobicContact CD2-CG2 3.78Å; F1126-V1130 HydrophobicContact CE1-CB 4.23Å; F1126-V1130 HydrophobicContact CE1-CG1 4.36Å; F1126-V1130 HydrophobicContact CE2-CB 4.3Å; F1126-V1130 HydrophobicContact CE2-CG1 4.41Å; F1126-V1130 HydrophobicContact CE2-CG2 3.78Å; F1126-V1130 HydrophobicContact CG-CG2 4.19Å; F1126-V1130 HydrophobicContact CZ-CB 4.17Å; F1126-V1130 HydrophobicContact CZ-CG1 4.03Å; F1126-V1130 HydrophobicContact CZ-CG2 4.15Å; F1126-V1130 WeakPolarHBondContact O-CA 3.31Å; F1126-V1130 VanDerWaalsContact O-CB 3.25Å; F1126-V1130 WeakPolarHBondContact O-CB 3.16Å; F1126-V1130 PolarHBondContact O-N 3.11Å; F1126-L1131 HydrophobicContact CE1-CG 4.41Å; F1126-L1153 HydrophobicContact CB-CD2 4.47Å; F1126-L1153 HydrophobicContact CD2-CD2 3.95Å; F1126-L1153 HydrophobicContact CD2-CG 4.46Å; F1126-V1157 HydrophobicContact CE2-CG2 4.28Å
1127	I	96.4	Very high	94.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-39.4	-177	-57.4	174.8	0	0	0	111.3	I1118 C1122 N1123 E1124 L1131 G1132 C1133 I1139	I1118-I1127 HydrophobicContact CG2-CD1 4.45Å; I1118-I1127 HydrophobicContact CG2-CG1 4.48Å; C1122-I1127 HydrophobicContact CB-CD1 4.23Å; N1123-I1127 PolarHBondContact O-N 2.95Å; E1124-I1127 PolarHBondContact O-N 3.39Å; I1127-L1131 CarbonylContact O-C 3.49Å; I1127-L1131 WeakPolarHBondContact O-CA 3.18Å; I1127-L1131 VanDerWaalsContact O-CB 3.28Å; I1127-L1131 WeakPolarHBondContact O-CB 3.33Å; I1127-L1131 PolarHBondContact O-N 3.03Å; I1127-G1132 PolarHBondContact O-N 2.88Å; I1127-C1133 CarbonylContact C-O 3.58Å; I1127-C1133 HydrophobicContact CG2-CB 3.62Å; I1127-C1133 PolarHBondContact O-N 3.23Å; I1127-C1133 VanDerWaalsContact O-N 3.09Å; I1127-I1139 HydrophobicContact CD1-CD1 4.36Å; I1127-I1139 HydrophobicContact CG1-CD1 4.4Å; I1127-I1139 HydrophobicContact CG2-CD1 3.88Å; I1127-I1139 HydrophobicContact CG2-CG1 3.83Å
1128	R	96.7	Very high	94.7	Very high	127 Å²	127	49.5 Å²	49.5	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-73.5	-51.8	174.9	-175.1	-170.7	66.1	-125.3	-11.7	112	E1124 F1126 G1132 C1133	E1124-R1128 VanDerWaalsContact O-CB 3.25Å; E1124-R1128 WeakPolarHBondContact O-CB 3.45Å; E1124-R1128 PolarHBondContact O-N 2.93Å; F1126-R1128 VanDerWaalsContact C-N 3.34Å; F1126-R1128 PolarHBondContact O-N 3.43Å; R1128-G1132 VanDerWaalsContact O-CA 3.29Å; R1128-G1132 WeakPolarHBondContact O-CA 3.27Å; R1128-G1132 PolarHBondContact O-N 3.34Å; R1128-G1132 VanDerWaalsContact O-N 3.11Å; R1128-C1133 WeakPolarHBondContact CA-O 3.29Å; R1128-C1133 PolarHBondContact N-O 3.33Å
1129	D	96.5	Very high	94.7	Very high	36 Å²	36	49.6 Å²	49.6	19%	0.193	29%	0.288	C	S	.	.	H	α-helix	trans	-84	-17.4	-165.9	-58.7	-19.6	0	0	0	113.1	T1125 F1126 T1151 S1154	T1125-D1129 VanDerWaalsContact CG2-OD2 3.27Å; T1125-D1129 WeakPolarHBondContact CG2-OD2 3.36Å; T1125-D1129 WeakPolarHBondContact O-CB 3.1Å; T1125-D1129 PolarHBondContact O-N 2.89Å; F1126-D1129 PolarHBondContact O-N 2.86Å; D1129-T1151 HydrophobicContact CB-CG2 4.04Å; D1129-T1151 WeakPolarHBondContact O-CG2 3.07Å; D1129-T1151 PolarHBondContact O-OG1 3.49Å; D1129-S1154 WeakPolarHBondContact O-CB 3.29Å
1130	V	96.7	Very high	94.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-109.6	-42.4	174.9	-174.4	0	0	0	0	112.7	F1126 I1146 P1147 L1153 V1157	F1126-V1130 HydrophobicContact CD1-CB 4.43Å; F1126-V1130 HydrophobicContact CD2-CB 4.48Å; F1126-V1130 HydrophobicContact CD2-CG2 3.78Å; F1126-V1130 HydrophobicContact CE1-CB 4.23Å; F1126-V1130 HydrophobicContact CE1-CG1 4.36Å; F1126-V1130 HydrophobicContact CE2-CB 4.3Å; F1126-V1130 HydrophobicContact CE2-CG1 4.41Å; F1126-V1130 HydrophobicContact CE2-CG2 3.78Å; F1126-V1130 HydrophobicContact CG-CG2 4.19Å; F1126-V1130 HydrophobicContact CZ-CB 4.17Å; F1126-V1130 HydrophobicContact CZ-CG1 4.03Å; F1126-V1130 HydrophobicContact CZ-CG2 4.15Å; F1126-V1130 WeakPolarHBondContact O-CA 3.31Å; F1126-V1130 VanDerWaalsContact O-CB 3.25Å; F1126-V1130 WeakPolarHBondContact O-CB 3.16Å; F1126-V1130 PolarHBondContact O-N 3.11Å; V1130-I1146 HydrophobicContact CG1-CG2 4.03Å; V1130-P1147 WeakPolarHBondContact O-CD 3.34Å; V1130-P1147 WeakPolarHBondContact O-CG 3.44Å; V1130-L1153 HydrophobicContact CG2-CB 4.02Å; V1130-L1153 HydrophobicContact CG2-CD2 3.87Å; V1130-L1153 HydrophobicContact CG2-CG 3.57Å; V1130-V1157 HydrophobicContact CG1-CB 4.08Å; V1130-V1157 HydrophobicContact CG1-CG1 3.96Å; V1130-V1157 HydrophobicContact CG1-CG2 3.92Å; V1130-V1157 HydrophobicContact CG2-CG2 4.16Å
1131	L	96.6	Very high	94	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-101.5	-2.3	-174.6	-49	177.6	0	0	0	113.8	L1116 I1118 F1126 I1127 C1133 I1139 M1143 I1146 I1176	L1116-L1131 HydrophobicContact CD2-CD2 4.23Å; I1118-L1131 HydrophobicContact CD1-CD1 3.95Å; I1118-L1131 HydrophobicContact CG1-CD1 4.01Å; F1126-L1131 HydrophobicContact CE1-CG 4.41Å; I1127-L1131 CarbonylContact O-C 3.49Å; I1127-L1131 WeakPolarHBondContact O-CA 3.18Å; I1127-L1131 VanDerWaalsContact O-CB 3.28Å; I1127-L1131 WeakPolarHBondContact O-CB 3.33Å; I1127-L1131 PolarHBondContact O-N 3.03Å; L1131-C1133 HydrophobicContact CB-CB 4.45Å; L1131-C1133 PolarHBondContact O-N 3.41Å; L1131-C1133 VanDerWaalsContact O-N 3.13Å; L1131-C1133 PolarHBondContact O-SG 3.48Å; L1131-I1139 HydrophobicContact CD1-CD1 3.94Å; L1131-I1139 HydrophobicContact CD1-CG1 4.33Å; L1131-M1143 HydrophobicContact CB-CE 4.3Å; L1131-I1146 HydrophobicContact CD2-CD1 3.99Å; L1131-I1176 HydrophobicContact CD1-CG2 4.4Å; L1131-I1176 HydrophobicContact CD2-CD1 4.03Å
1132	G	96.1	Very high	93.3	Very high	51 Å²	51	54 Å²	54	53%	0.526	32%	0.322	S	S	.	.			trans	66.5	11.7	179.9	0	0	0	0	0	114.2	I1127 R1128	I1127-G1132 PolarHBondContact O-N 2.88Å; R1128-G1132 VanDerWaalsContact O-CA 3.29Å; R1128-G1132 WeakPolarHBondContact O-CA 3.27Å; R1128-G1132 PolarHBondContact O-N 3.34Å; R1128-G1132 VanDerWaalsContact O-N 3.11Å
1133	C	96.1	Very high	93	Very high	15 Å²	15	54.7 Å²	54.7	10%	0.101	33%	0.325	C	S	.	.			trans	-101.5	141	-171.4	-72.2	0	0	0	0	110.5	I1127 R1128 L1131 S1135 S1138 I1139	I1127-C1133 CarbonylContact C-O 3.58Å; I1127-C1133 HydrophobicContact CG2-CB 3.62Å; I1127-C1133 PolarHBondContact O-N 3.23Å; I1127-C1133 VanDerWaalsContact O-N 3.09Å; R1128-C1133 WeakPolarHBondContact CA-O 3.29Å; R1128-C1133 PolarHBondContact N-O 3.33Å; L1131-C1133 HydrophobicContact CB-CB 4.45Å; L1131-C1133 PolarHBondContact O-N 3.41Å; L1131-C1133 VanDerWaalsContact O-N 3.13Å; L1131-C1133 PolarHBondContact O-SG 3.48Å; C1133-S1135 VanDerWaalsContact C-N 3.3Å; C1133-S1135 PolarHBondContact O-N 3.46Å; C1133-S1138 WeakPolarHBondContact CB-OG 3.3Å; C1133-I1139 HydrophobicContact CB-CG1 4.06Å
1134	S	94.6	Very high	92.8	Very high	93 Å²	93	52.3 Å²	52.3	65%	0.65	32%	0.315	S	S	*	.	S	Bend	trans	-72.1	-23.5	-176.3	61.9	0	0	0	0	114	S1138	S1134-S1138 PolarHBondContact N-OG 3.35Å; S1134-S1138 VanDerWaalsContact N-OG 3.09Å; S1134-S1138 PolarHBondContact OG-OG 3.35Å
1135	S	94.3	Very high	92.5	Very high	28 Å²	28	51.8 Å²	51.8	20%	0.196	31%	0.313	C	S	.	.	S	Bend	trans	-165.7	165.5	-176.8	60.3	0	0	0	0	111.4	C1133 A1137 S1138	C1133-S1135 VanDerWaalsContact C-N 3.3Å; C1133-S1135 PolarHBondContact O-N 3.46Å; S1135-A1137 PolarHBondContact O-N 3.01Å; S1135-A1137 VanDerWaalsContact O-N 3.16Å; S1135-S1138 PolarHBondContact N-OG 3Å; S1135-S1138 PolarHBondContact O-N 3.05Å; S1135-S1138 PolarHBondContact O-OG 3.11Å
1136	Y	93.8	Very high	92.5	Very high	42 Å²	42	50.2 Å²	50.2	17%	0.165	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.6	173.1	178.2	-96.6	0	0	0	113.4	I1118 K1120 S1138 I1139 K1178 D1179	I1118-Y1136 HydrophobicContact CG2-CD2 3.94Å; I1118-Y1136 HydrophobicContact CG2-CE2 4.14Å; K1120-Y1136 HydrophobicContact CB-CE1 4.46Å; K1120-Y1136 HydrophobicContact CG-CE1 4.11Å; Y1136-S1138 PolarHBondContact O-N 3.41Å; Y1136-I1139 HydrophobicContact CD2-CD1 4.16Å; Y1136-K1178 HydrophobicContact CE2-CB 4.27Å; Y1136-K1178 HydrophobicContact CE2-CG 4.49Å; Y1136-K1178 WeakPolarHBondContact O-CE 3.36Å; Y1136-K1178 PolarHBondContact O-NZ 3.32Å; Y1136-D1179 WeakPolarHBondContact OH-CA 3.15Å; Y1136-D1179 WeakPolarHBondContact OH-CB 3.48Å; Y1136-D1179 PolarHBondContact OH-N 3.29Å; Y1136-D1179 PolarHBondContact OH-O 3.23Å
1137	A	92.9	Very high	92.4	Very high	82 Å²	82	51.3 Å²	51.3	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-44.2	176.2	0	0	0	0	0	111.6	S1135 I1139 K1178	S1135-A1137 PolarHBondContact O-N 3.01Å; S1135-A1137 VanDerWaalsContact O-N 3.16Å; A1137-I1139 VanDerWaalsContact C-N 3.34Å; A1137-I1139 PolarHBondContact O-N 2.97Å; A1137-K1178 PolarHBondContact O-NZ 2.63Å; A1137-K1178 VanDerWaalsContact O-NZ 3.12Å
1138	S	94.6	Very high	92.3	Very high	49 Å²	49	56.3 Å²	56.3	34%	0.343	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-15.2	-175	64.7	0	0	0	0	116.1	C1133 S1134 S1135 Y1136 P1140	C1133-S1138 WeakPolarHBondContact CB-OG 3.3Å; S1134-S1138 PolarHBondContact N-OG 3.35Å; S1134-S1138 VanDerWaalsContact N-OG 3.09Å; S1134-S1138 PolarHBondContact OG-OG 3.35Å; S1135-S1138 PolarHBondContact N-OG 3Å; S1135-S1138 PolarHBondContact O-N 3.05Å; S1135-S1138 PolarHBondContact O-OG 3.11Å; Y1136-S1138 PolarHBondContact O-N 3.41Å; S1138-P1140 WeakPolarHBondContact O-CD 3.33Å
1139	I	93.5	Very high	92.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	-58.7	120.6	177.6	-58	171.4	0	0	0	109.4	I1118 I1127 L1131 C1133 Y1136 A1137 M1143 I1176 K1178	I1118-I1139 HydrophobicContact CB-CD1 4.43Å; I1118-I1139 HydrophobicContact CG1-CD1 4.42Å; I1118-I1139 HydrophobicContact CG2-CD1 3.93Å; I1127-I1139 HydrophobicContact CD1-CD1 4.36Å; I1127-I1139 HydrophobicContact CG1-CD1 4.4Å; I1127-I1139 HydrophobicContact CG2-CD1 3.88Å; I1127-I1139 HydrophobicContact CG2-CG1 3.83Å; L1131-I1139 HydrophobicContact CD1-CD1 3.94Å; L1131-I1139 HydrophobicContact CD1-CG1 4.33Å; C1133-I1139 HydrophobicContact CB-CG1 4.06Å; Y1136-I1139 HydrophobicContact CD2-CD1 4.16Å; A1137-I1139 VanDerWaalsContact C-N 3.34Å; A1137-I1139 PolarHBondContact O-N 2.97Å; I1139-M1143 HydrophobicContact CG2-SD 4.48Å; I1139-I1176 HydrophobicContact CG2-CG2 4.17Å; I1139-K1178 HydrophobicContact CB-CD 4.05Å; I1139-K1178 HydrophobicContact CG2-CD 4.07Å; I1139-K1178 HydrophobicContact CG2-CG 4.22Å; I1139-K1178 PolarHBondContact O-NZ 2.61Å
1140	P	90.4	Very high	92.2	Very high	60 Å²	60	58.2 Å²	58.2	39%	0.39	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.5	146.5	-177.4	-22.8	33.5	0	0	0	113.2	S1138 M1143	S1138-P1140 WeakPolarHBondContact O-CD 3.33Å; P1140-M1143 HydrophobicContact CB-CB 4.44Å
1141	P	79.1	Confident	92.1	Very high	110 Å²	110	59.5 Å²	59.5	71%	0.714	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	140.6	161.6	30.1	-33	0	0	0	109.3
1142	N	79.4	Confident	91.9	Very high	154 Å²	154	63.1 Å²	63.1	82%	0.824	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	25.9	-179.9	-42.6	-41.3	0	0	0	115.8	S1144	N1142-S1144 PolarHBondContact O-N 3.04Å
1143	M	88.9	Confident	91.8	Very high	22 Å²	22	62.2 Å²	62.2	11%	0.108	37%	0.365	C	S	.	.			trans	-66	119.3	172.6	-167.1	-177.5	169.2	0	0	110.4	L1131 I1139 P1140 H1145 P1147 I1176	L1131-M1143 HydrophobicContact CB-CE 4.3Å; I1139-M1143 HydrophobicContact CG2-SD 4.48Å; P1140-M1143 HydrophobicContact CB-CB 4.44Å; M1143-H1145 WeakPolarHBondContact CE-O 3.49Å; M1143-P1147 HydrophobicContact CE-CG 4.39Å; M1143-I1176 HydrophobicContact CB-CB 4.25Å; M1143-I1176 HydrophobicContact CB-CD1 4.05Å; M1143-I1176 HydrophobicContact CE-CD1 3.93Å; M1143-I1176 HydrophobicContact CG-CD1 3.63Å; M1143-I1176 WeakPolarHBondContact O-CB 3.48Å; M1143-I1176 PolarHBondContact O-N 3.24Å; M1143-I1176 HydrophobicContact SD-CD1 3.72Å
1144	S	87.4	Confident	91.7	Very high	43 Å²	43	61.5 Å²	61.5	30%	0.301	36%	0.36	S	S	.	.			trans	-117.9	13.1	-166.8	66.4	0	0	0	0	115.6	N1142 I1174	N1142-S1144 PolarHBondContact O-N 3.04Å; S1144-I1174 CarbonylContact C-O 3.52Å; S1144-I1174 VanDerWaalsContact CA-O 3.23Å; S1144-I1174 WeakPolarHBondContact CA-O 3.48Å; S1144-I1174 VanDerWaalsContact O-CG2 3.23Å; S1144-I1174 WeakPolarHBondContact O-CG2 3.15Å
1145	H	89	Confident	91.7	Very high	110 Å²	110	61 Å²	61	51%	0.509	35%	0.348	S	S	.	.	S	Bend	trans	-149.3	158.4	178.8	63	-89.1	0	0	0	110.7	M1143 I1176	M1143-H1145 WeakPolarHBondContact CE-O 3.49Å; H1145-I1176 VanDerWaalsContact O-CD1 3.28Å; H1145-I1176 WeakPolarHBondContact O-CD1 3.33Å
1146	I	93	Very high	91.6	Very high	24 Å²	24	62.6 Å²	62.6	12%	0.123	35%	0.349	C	S	.	.			trans	-92.7	126.8	165.9	-54.7	-62.5	0	0	0	107.6	L1116 V1130 L1131 V1157 R1158 L1161 I1174 I1176	L1116-I1146 HydrophobicContact CD2-CD1 3.6Å; V1130-I1146 HydrophobicContact CG1-CG2 4.03Å; L1131-I1146 HydrophobicContact CD2-CD1 3.99Å; I1146-V1157 HydrophobicContact CD1-CG1 4.45Å; I1146-V1157 HydrophobicContact CG1-CG1 4.29Å; I1146-V1157 HydrophobicContact CG2-CG1 4.33Å; I1146-R1158 HydrophobicContact CB-CG 4.44Å; I1146-R1158 HydrophobicContact CG2-CG 4Å; I1146-L1161 HydrophobicContact CG1-CD1 3.66Å; I1146-I1174 HydrophobicContact CD1-CD1 4.15Å; I1146-I1174 HydrophobicContact CG1-CD1 4.13Å; I1146-I1176 HydrophobicContact CD1-CD1 4.15Å
1147	P	94.4	Very high	91.7	Very high	25 Å²	25	60.6 Å²	60.6	16%	0.162	34%	0.341	C	S	.	.			trans	-67.8	144.1	176.3	27	-33.9	0	0	0	111.7	V1130 M1143 L1149 S1154	V1130-P1147 WeakPolarHBondContact O-CD 3.34Å; V1130-P1147 WeakPolarHBondContact O-CG 3.44Å; M1143-P1147 HydrophobicContact CE-CG 4.39Å; P1147-L1149 HydrophobicContact CB-CD2 4.19Å; P1147-L1149 HydrophobicContact CB-CG 4.06Å; P1147-L1149 HydrophobicContact CG-CD1 3.89Å; P1147-L1149 HydrophobicContact CG-CD2 4.4Å; P1147-L1149 HydrophobicContact CG-CG 3.93Å; P1147-L1149 PolarHBondContact O-N 3.5Å; P1147-S1154 PolarHBondContact O-OG 2.93Å
1148	D	94.9	Very high	91.8	Very high	105 Å²	105	58.8 Å²	58.8	56%	0.561	32%	0.317	S	S	*	.			trans	-71	95.6	167.8	-167.6	-33.6	0	0	0	109	Q1150 R1158	D1148-Q1150 PolarHBondContact OD1-NE2 3.27Å; D1148-R1158 VanDerWaalsContact CG-CZ 3.46Å; D1148-R1158 IonicContact OD1-CZ 2.82Å; D1148-R1158 VanDerWaalsContact OD1-CZ 3.24Å; D1148-R1158 IonicContact OD1-NH1 2.65Å; D1148-R1158 PolarHBondContact OD1-NH1 2.93Å; D1148-R1158 VanDerWaalsContact OD1-NH1 3.15Å; D1148-R1158 IonicContact OD1-NH2 2.64Å; D1148-R1158 PolarHBondContact OD1-NH2 3.46Å; D1148-R1158 IonicContact OD2-CZ 3.33Å; D1148-R1158 IonicContact OD2-NH1 2.66Å; D1148-R1158 PolarHBondContact OD2-NH1 3.13Å; D1148-R1158 IonicContact OD2-NH2 3.78Å
1149	L	96.3	Very high	91.8	Very high	44 Å²	44	57.1 Å²	57.1	23%	0.23	31%	0.306	C	S	.	.			trans	-109.3	135.9	174	-55.6	175.5	0	0	0	108.4	P1147 T1151 S1154 R1158	P1147-L1149 HydrophobicContact CB-CD2 4.19Å; P1147-L1149 HydrophobicContact CB-CG 4.06Å; P1147-L1149 HydrophobicContact CG-CD1 3.89Å; P1147-L1149 HydrophobicContact CG-CD2 4.4Å; P1147-L1149 HydrophobicContact CG-CG 3.93Å; P1147-L1149 PolarHBondContact O-N 3.5Å; L1149-T1151 HydrophobicContact CB-CG2 4.1Å; L1149-T1151 PolarHBondContact O-N 3.03Å; L1149-S1154 PolarHBondContact N-OG 3.32Å; L1149-S1154 WeakPolarHBondContact O-CB 3.22Å; L1149-S1154 PolarHBondContact O-OG 3.13Å; L1149-R1158 PolarHBondContact O-NH2 3.4Å
1150	Q	94.8	Very high	91.9	Very high	160 Å²	160	57.1 Å²	57.1	75%	0.748	31%	0.306	S	S	*	.	S	Bend	trans	-79.4	66	177.2	-57.9	-66.9	-71.4	0	0	109	D1148	D1148-Q1150 PolarHBondContact OD1-NE2 3.27Å
1151	T	95.1	Very high	92.1	Very high	26 Å²	26	55 Å²	55	16%	0.16	29%	0.291	C	S	.	.	S	Bend	trans	-133.1	143.5	176.1	84.7	0	0	0	0	109.5	D1129 L1149 L1153 S1154 E1155	D1129-T1151 HydrophobicContact CB-CG2 4.04Å; D1129-T1151 WeakPolarHBondContact O-CG2 3.07Å; D1129-T1151 PolarHBondContact O-OG1 3.49Å; L1149-T1151 HydrophobicContact CB-CG2 4.1Å; L1149-T1151 PolarHBondContact O-N 3.03Å; T1151-L1153 PolarHBondContact O-N 3.39Å; T1151-L1153 PolarHBondContact OG1-N 2.83Å; T1151-S1154 PolarHBondContact O-N 3.43Å; T1151-S1154 PolarHBondContact OG1-N 3.19Å; T1151-E1155 PolarHBondContact N-OE1 3.35Å; T1151-E1155 WeakPolarHBondContact O-CB 3.42Å; T1151-E1155 VanDerWaalsContact O-CD 3.3Å; T1151-E1155 VanDerWaalsContact O-CG 3.3Å; T1151-E1155 WeakPolarHBondContact O-CG 3.05Å; T1151-E1155 PolarHBondContact O-N 2.81Å
1152	P	92.5	Very high	92.8	Very high	80 Å²	80	54.2 Å²	54.2	52%	0.519	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.4	177.2	-25	34.9	0	0	0	115	R1156	P1152-R1156 WeakPolarHBondContact O-CD 3.4Å; P1152-R1156 VanDerWaalsContact O-CG 3.23Å; P1152-R1156 WeakPolarHBondContact O-CG 3.49Å; P1152-R1156 PolarHBondContact O-NH1 3.43Å
1153	L	92.3	Very high	93.5	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.168	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-39.4	176.9	-163.8	59	0	0	0	111.5	F1126 V1130 T1151 R1156 V1157	F1126-L1153 HydrophobicContact CB-CD2 4.47Å; F1126-L1153 HydrophobicContact CD2-CD2 3.95Å; F1126-L1153 HydrophobicContact CD2-CG 4.46Å; V1130-L1153 HydrophobicContact CG2-CB 4.02Å; V1130-L1153 HydrophobicContact CG2-CD2 3.87Å; V1130-L1153 HydrophobicContact CG2-CG 3.57Å; T1151-L1153 PolarHBondContact O-N 3.39Å; T1151-L1153 PolarHBondContact OG1-N 2.83Å; L1153-R1156 PolarHBondContact O-N 3.5Å; L1153-V1157 WeakPolarHBondContact O-CB 3.36Å; L1153-V1157 VanDerWaalsContact O-CG2 3.26Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.49Å; L1153-V1157 PolarHBondContact O-N 2.89Å
1154	S	95	Very high	93.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-45	169.5	174.6	0	0	0	0	111.1	D1129 P1147 L1149 T1151 R1156 V1157 R1158	D1129-S1154 WeakPolarHBondContact O-CB 3.29Å; P1147-S1154 PolarHBondContact O-OG 2.93Å; L1149-S1154 PolarHBondContact N-OG 3.32Å; L1149-S1154 WeakPolarHBondContact O-CB 3.22Å; L1149-S1154 PolarHBondContact O-OG 3.13Å; T1151-S1154 PolarHBondContact O-N 3.43Å; T1151-S1154 PolarHBondContact OG1-N 3.19Å; S1154-R1156 VanDerWaalsContact C-N 3.34Å; S1154-R1156 PolarHBondContact O-N 3.05Å; S1154-V1157 PolarHBondContact O-N 2.83Å; S1154-R1158 WeakPolarHBondContact O-CB 3.36Å; S1154-R1158 WeakPolarHBondContact O-CG 3.47Å; S1154-R1158 PolarHBondContact O-N 2.82Å; S1154-R1158 PolarHBondContact O-NE 3.32Å; S1154-R1158 PolarHBondContact OG-NE 2.99Å
1155	E	93.7	Very high	93.9	Very high	84 Å²	84	48.6 Å²	48.6	39%	0.393	24%	0.243	S	C	.	.	H	α-helix	trans	-56	-46.8	176.5	-71.2	156.4	-150.8	0	0	111.7	T1151 R1158 A1159	T1151-E1155 PolarHBondContact N-OE1 3.35Å; T1151-E1155 WeakPolarHBondContact O-CB 3.42Å; T1151-E1155 VanDerWaalsContact O-CD 3.3Å; T1151-E1155 VanDerWaalsContact O-CG 3.3Å; T1151-E1155 WeakPolarHBondContact O-CG 3.05Å; T1151-E1155 PolarHBondContact O-N 2.81Å; E1155-R1158 PolarHBondContact O-N 3.01Å; E1155-A1159 VanDerWaalsContact O-CB 3.28Å; E1155-A1159 WeakPolarHBondContact O-CB 3.19Å; E1155-A1159 PolarHBondContact O-N 3Å
1156	R	93.8	Very high	93.8	Very high	61 Å²	61	50 Å²	50	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-42.3	176.1	-79.8	-176.9	-172.5	106.5	-7.6	113.4	M1074 D1076 P1088 P1152 L1153 S1154 F1160	M1074-R1156 HydrophobicContact CE-CB 4.1Å; D1076-R1156 IonicContact OD1-CZ 2.67Å; D1076-R1156 IonicContact OD1-NE 2.73Å; D1076-R1156 PolarHBondContact OD1-NE 3.21Å; D1076-R1156 IonicContact OD1-NH2 3.74Å; D1076-R1156 PolarHBondContact OD1-NH2 3.33Å; D1076-R1156 IonicContact OD2-CZ 2.63Å; D1076-R1156 IonicContact OD2-NE 3.83Å; D1076-R1156 IonicContact OD2-NH2 3.54Å; D1076-R1156 PolarHBondContact OD2-NH2 3.29Å; P1088-R1156 HydrophobicContact CG-CB 3.78Å; P1088-R1156 HydrophobicContact CG-CG 3.8Å; P1152-R1156 WeakPolarHBondContact O-CD 3.4Å; P1152-R1156 VanDerWaalsContact O-CG 3.23Å; P1152-R1156 WeakPolarHBondContact O-CG 3.49Å; P1152-R1156 PolarHBondContact O-NH1 3.43Å; L1153-R1156 PolarHBondContact O-N 3.5Å; S1154-R1156 VanDerWaalsContact C-N 3.34Å; S1154-R1156 PolarHBondContact O-N 3.05Å; R1156-F1160 WeakPolarHBondContact O-CB 3.42Å; R1156-F1160 PolarHBondContact O-N 3.16Å; R1156-F1160 VanDerWaalsContact O-N 3.13Å
1157	V	94.9	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-43.9	176.8	168.6	0	0	0	0	110.9	L1071 M1074 F1126 V1130 I1146 L1153 S1154 L1161	L1071-V1157 HydrophobicContact CD1-CG1 4.23Å; L1071-V1157 HydrophobicContact CD1-CG2 4.29Å; M1074-V1157 HydrophobicContact CE-CB 4.25Å; M1074-V1157 HydrophobicContact CE-CG2 3.39Å; F1126-V1157 HydrophobicContact CE2-CG2 4.28Å; V1130-V1157 HydrophobicContact CG1-CB 4.08Å; V1130-V1157 HydrophobicContact CG1-CG1 3.96Å; V1130-V1157 HydrophobicContact CG1-CG2 3.92Å; V1130-V1157 HydrophobicContact CG2-CG2 4.16Å; I1146-V1157 HydrophobicContact CD1-CG1 4.45Å; I1146-V1157 HydrophobicContact CG1-CG1 4.29Å; I1146-V1157 HydrophobicContact CG2-CG1 4.33Å; L1153-V1157 WeakPolarHBondContact O-CB 3.36Å; L1153-V1157 VanDerWaalsContact O-CG2 3.26Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.49Å; L1153-V1157 PolarHBondContact O-N 2.89Å; S1154-V1157 PolarHBondContact O-N 2.83Å; V1157-L1161 HydrophobicContact CG1-CD1 3.84Å; V1157-L1161 WeakPolarHBondContact O-CB 3.46Å; V1157-L1161 VanDerWaalsContact O-CG 3.31Å; V1157-L1161 WeakPolarHBondContact O-CG 3.43Å; V1157-L1161 PolarHBondContact O-N 3.42Å
1158	R	94.9	Very high	92.9	Very high	43 Å²	43	53.2 Å²	53.2	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-51.5	179	-69.1	-179.5	-67.1	139.4	-18.9	111.3	I1146 D1148 L1149 S1154 E1155 F1160 L1161 D1162	I1146-R1158 HydrophobicContact CB-CG 4.44Å; I1146-R1158 HydrophobicContact CG2-CG 4Å; D1148-R1158 VanDerWaalsContact CG-CZ 3.46Å; D1148-R1158 IonicContact OD1-CZ 2.82Å; D1148-R1158 VanDerWaalsContact OD1-CZ 3.24Å; D1148-R1158 IonicContact OD1-NH1 2.65Å; D1148-R1158 PolarHBondContact OD1-NH1 2.93Å; D1148-R1158 VanDerWaalsContact OD1-NH1 3.15Å; D1148-R1158 IonicContact OD1-NH2 2.64Å; D1148-R1158 PolarHBondContact OD1-NH2 3.46Å; D1148-R1158 IonicContact OD2-CZ 3.33Å; D1148-R1158 IonicContact OD2-NH1 2.66Å; D1148-R1158 PolarHBondContact OD2-NH1 3.13Å; D1148-R1158 IonicContact OD2-NH2 3.78Å; L1149-R1158 PolarHBondContact O-NH2 3.4Å; S1154-R1158 WeakPolarHBondContact O-CB 3.36Å; S1154-R1158 WeakPolarHBondContact O-CG 3.47Å; S1154-R1158 PolarHBondContact O-N 2.82Å; S1154-R1158 PolarHBondContact O-NE 3.32Å; S1154-R1158 PolarHBondContact OG-NE 2.99Å; E1155-R1158 PolarHBondContact O-N 3.01Å; R1158-F1160 PolarHBondContact O-N 3.02Å; R1158-F1160 VanDerWaalsContact O-N 3.12Å; R1158-L1161 CarbonylContact O-C 3.49Å; R1158-L1161 WeakPolarHBondContact O-CA 3.43Å; R1158-L1161 PolarHBondContact O-N 3.44Å; R1158-D1162 WeakPolarHBondContact O-CB 3.34Å; R1158-D1162 PolarHBondContact O-N 2.96Å; R1158-D1162 VanDerWaalsContact O-OD2 3.1Å
1159	A	94.5	Very high	92.5	Very high	14 Å²	14	50.3 Å²	50.3	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-55.2	-35.3	176.7	0	0	0	0	0	113.6	T1085 V1087 E1155 W1163	T1085-A1159 HydrophobicContact CG2-CB 3.96Å; V1087-A1159 HydrophobicContact CG2-CB 4.49Å; E1155-A1159 VanDerWaalsContact O-CB 3.28Å; E1155-A1159 WeakPolarHBondContact O-CB 3.19Å; E1155-A1159 PolarHBondContact O-N 3Å; A1159-W1163 WeakPolarHBondContact O-CB 3.16Å; A1159-W1163 PolarHBondContact O-N 2.68Å
1160	F	95.2	Very high	92	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.254	C	S	.	.	H	α-helix	trans	-72.9	-41.7	173.7	-178.3	-121.1	0	0	0	113.1	Y1069 L1071 P1088 P1090 L1107 R1156 R1158 W1163 L1164	Y1069-F1160 HydrophobicContact CD1-CE1 4.39Å; Y1069-F1160 AromaticContact CD1-CZ 3.89Å; Y1069-F1160 HydrophobicContact CD1-CZ 3.89Å; Y1069-F1160 HydrophobicContact CD2-CE1 4.04Å; Y1069-F1160 HydrophobicContact CD2-CZ 4.02Å; Y1069-F1160 AromaticContact CE1-CZ 3.83Å; Y1069-F1160 HydrophobicContact CE1-CZ 3.83Å; Y1069-F1160 HydrophobicContact CE2-CE1 4.37Å; Y1069-F1160 AromaticContact CE2-CZ 3.98Å; Y1069-F1160 HydrophobicContact CE2-CZ 3.98Å; Y1069-F1160 HydrophobicContact CG-CE1 4.04Å; Y1069-F1160 AromaticContact CG-CZ 3.97Å; Y1069-F1160 HydrophobicContact CG-CZ 3.97Å; Y1069-F1160 AromaticContact CZ-CZ 3.87Å; L1071-F1160 HydrophobicContact CD2-CD1 4.01Å; L1071-F1160 HydrophobicContact CD2-CE1 4.05Å; P1088-F1160 WeakPolarHBondContact O-CD2 3.43Å; P1090-F1160 HydrophobicContact CG-CD1 4.1Å; P1090-F1160 HydrophobicContact CG-CD2 4.33Å; P1090-F1160 HydrophobicContact CG-CE1 3.58Å; P1090-F1160 HydrophobicContact CG-CE2 3.85Å; P1090-F1160 HydrophobicContact CG-CG 4.45Å; P1090-F1160 HydrophobicContact CG-CZ 3.45Å; P1090-F1160 VanDerWaalsContact CG-CZ 3.45Å; L1107-F1160 HydrophobicContact CD2-CD1 4.27Å; L1107-F1160 HydrophobicContact CD2-CE1 3.94Å; R1156-F1160 WeakPolarHBondContact O-CB 3.42Å; R1156-F1160 PolarHBondContact O-N 3.16Å; R1156-F1160 VanDerWaalsContact O-N 3.13Å; R1158-F1160 PolarHBondContact O-N 3.02Å; R1158-F1160 VanDerWaalsContact O-N 3.12Å; F1160-W1163 AromaticContact CD2-CE3 4Å; F1160-W1163 HydrophobicContact CD2-CE3 4Å; F1160-W1163 HydrophobicContact CD2-CZ3 4.37Å; F1160-W1163 AromaticContact CE2-CE3 3.86Å; F1160-W1163 HydrophobicContact CE2-CE3 3.86Å; F1160-W1163 AromaticContact CE2-CZ3 3.78Å; F1160-W1163 HydrophobicContact CE2-CZ3 3.78Å; F1160-L1164 HydrophobicContact CD1-CD1 4.12Å; F1160-L1164 HydrophobicContact CE1-CD1 3.67Å; F1160-L1164 HydrophobicContact CE2-CD1 4.28Å; F1160-L1164 HydrophobicContact CE2-CG 4.3Å; F1160-L1164 HydrophobicContact CZ-CD1 3.76Å; F1160-L1164 HydrophobicContact CZ-CD2 4.48Å; F1160-L1164 HydrophobicContact CZ-CG 4.24Å; F1160-L1164 WeakPolarHBondContact O-CG 3.19Å; F1160-L1164 PolarHBondContact O-N 2.63Å
1161	L	94.5	Very high	91.6	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-43.2	175.3	-75.5	169.2	0	0	0	112.2	L1107 F1114 I1146 V1157 R1158 L1164 Q1165 I1174	L1107-L1161 HydrophobicContact CD1-CD2 3.93Å; L1107-L1161 HydrophobicContact CD2-CD2 3.63Å; L1107-L1161 HydrophobicContact CG-CD2 4.45Å; F1114-L1161 HydrophobicContact CD2-CD2 4.43Å; F1114-L1161 HydrophobicContact CG-CD2 4.4Å; I1146-L1161 HydrophobicContact CG1-CD1 3.66Å; V1157-L1161 HydrophobicContact CG1-CD1 3.84Å; V1157-L1161 WeakPolarHBondContact O-CB 3.46Å; V1157-L1161 VanDerWaalsContact O-CG 3.31Å; V1157-L1161 WeakPolarHBondContact O-CG 3.43Å; V1157-L1161 PolarHBondContact O-N 3.42Å; R1158-L1161 CarbonylContact O-C 3.49Å; R1158-L1161 WeakPolarHBondContact O-CA 3.43Å; R1158-L1161 PolarHBondContact O-N 3.44Å; L1161-L1164 CarbonylContact O-C 3.46Å; L1161-L1164 WeakPolarHBondContact O-CA 3.44Å; L1161-L1164 WeakPolarHBondContact O-CB 3.25Å; L1161-L1164 PolarHBondContact O-N 3.09Å; L1161-L1164 VanDerWaalsContact O-N 3.08Å; L1161-Q1165 VanDerWaalsContact O-CG 3.3Å; L1161-Q1165 WeakPolarHBondContact O-CG 3.43Å; L1161-Q1165 PolarHBondContact O-N 3.4Å; L1161-I1174 HydrophobicContact CD1-CD1 3.87Å; L1161-I1174 HydrophobicContact CD2-CD1 4.09Å
1162	D	93.9	Very high	91.4	Very high	93 Å²	93	43.4 Å²	43.4	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-45	178.1	-61.6	-30.7	0	0	0	110	R1158 L1164 Q1165 D1166	R1158-D1162 WeakPolarHBondContact O-CB 3.34Å; R1158-D1162 PolarHBondContact O-N 2.96Å; R1158-D1162 VanDerWaalsContact O-OD2 3.1Å; D1162-L1164 VanDerWaalsContact C-N 3.31Å; D1162-L1164 PolarHBondContact O-N 2.95Å; D1162-Q1165 WeakPolarHBondContact O-CA 3.45Å; D1162-Q1165 WeakPolarHBondContact O-CB 3.43Å; D1162-Q1165 PolarHBondContact O-N 3.21Å; D1162-D1166 PolarHBondContact O-N 3.48Å
1163	W	93.6	Very high	91.2	Very high	53 Å²	53	39.9 Å²	39.9	20%	0.201	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-36.6	171.4	176.3	83	0	0	0	113.2	L1080 V1087 A1159 F1160 Q1165 N1167	L1080-W1163 HydrophobicContact CD1-CZ2 4.13Å; V1087-W1163 HydrophobicContact CG1-CB 3.6Å; V1087-W1163 HydrophobicContact CG1-CD2 4.18Å; V1087-W1163 HydrophobicContact CG1-CG 3.71Å; V1087-W1163 HydrophobicContact CG2-CB 4.49Å; A1159-W1163 WeakPolarHBondContact O-CB 3.16Å; A1159-W1163 PolarHBondContact O-N 2.68Å; F1160-W1163 AromaticContact CD2-CE3 4Å; F1160-W1163 HydrophobicContact CD2-CE3 4Å; F1160-W1163 HydrophobicContact CD2-CZ3 4.37Å; F1160-W1163 AromaticContact CE2-CE3 3.86Å; F1160-W1163 HydrophobicContact CE2-CE3 3.86Å; F1160-W1163 AromaticContact CE2-CZ3 3.78Å; F1160-W1163 HydrophobicContact CE2-CZ3 3.78Å; W1163-Q1165 VanDerWaalsContact C-N 3.32Å; W1163-N1167 PolarHBondContact O-N 2.88Å; W1163-N1167 PolarHBondContact O-ND2 3.35Å
1164	L	93.1	Very high	91.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-29.4	173	-73.2	171.7	0	0	0	112.4	Y1069 L1107 F1114 F1160 L1161 D1162 R1168	Y1069-L1164 HydrophobicContact CE2-CD1 4.47Å; L1107-L1164 HydrophobicContact CD2-CD1 3.79Å; F1114-L1164 HydrophobicContact CE1-CB 4.01Å; F1114-L1164 HydrophobicContact CE1-CD1 3.92Å; F1114-L1164 HydrophobicContact CZ-CB 3.74Å; F1114-L1164 HydrophobicContact CZ-CD1 4.44Å; F1160-L1164 HydrophobicContact CD1-CD1 4.12Å; F1160-L1164 HydrophobicContact CE1-CD1 3.67Å; F1160-L1164 HydrophobicContact CE2-CD1 4.28Å; F1160-L1164 HydrophobicContact CE2-CG 4.3Å; F1160-L1164 HydrophobicContact CZ-CD1 3.76Å; F1160-L1164 HydrophobicContact CZ-CD2 4.48Å; F1160-L1164 HydrophobicContact CZ-CG 4.24Å; F1160-L1164 WeakPolarHBondContact O-CG 3.19Å; F1160-L1164 PolarHBondContact O-N 2.63Å; L1161-L1164 CarbonylContact O-C 3.46Å; L1161-L1164 WeakPolarHBondContact O-CA 3.44Å; L1161-L1164 WeakPolarHBondContact O-CB 3.25Å; L1161-L1164 PolarHBondContact O-N 3.09Å; L1161-L1164 VanDerWaalsContact O-N 3.08Å; D1162-L1164 VanDerWaalsContact C-N 3.31Å; D1162-L1164 PolarHBondContact O-N 2.95Å; L1164-R1168 VanDerWaalsContact O-CZ 3.28Å; L1164-R1168 PolarHBondContact O-NE 3.35Å; L1164-R1168 PolarHBondContact O-NH2 2.58Å
1165	Q	91.8	Very high	91	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.224	21%	0.214	C	C	.	.	H	α-helix	trans	-78.2	-41.8	176.1	-64.2	-81	37.7	0	0	112.4	F1114 L1161 D1162 W1163 N1167 R1168 S1171 S1172	F1114-Q1165 HydrophobicContact CE2-CG 4.16Å; L1161-Q1165 VanDerWaalsContact O-CG 3.3Å; L1161-Q1165 WeakPolarHBondContact O-CG 3.43Å; L1161-Q1165 PolarHBondContact O-N 3.4Å; D1162-Q1165 WeakPolarHBondContact O-CA 3.45Å; D1162-Q1165 WeakPolarHBondContact O-CB 3.43Å; D1162-Q1165 PolarHBondContact O-N 3.21Å; W1163-Q1165 VanDerWaalsContact C-N 3.32Å; Q1165-N1167 PolarHBondContact O-N 2.77Å; Q1165-N1167 VanDerWaalsContact O-N 3.1Å; Q1165-R1168 WeakPolarHBondContact O-CG 3.4Å; Q1165-R1168 PolarHBondContact O-N 2.85Å; Q1165-R1168 VanDerWaalsContact O-N 3.13Å; Q1165-S1171 PolarHBondContact NE2-OG 2.93Å; Q1165-S1172 PolarHBondContact NE2-O 3.38Å
1166	D	87.4	Confident	90.9	Very high	139 Å²	139	38.2 Å²	38.2	74%	0.743	20%	0.198	S	C	*	.	H	α-helix	trans	-59	-25.1	176.4	-78.1	-16.3	0	0	0	112.5	D1162	D1162-D1166 PolarHBondContact O-N 3.48Å
1167	N	81.2	Confident	90.7	Very high	86 Å²	86	36.1 Å²	36.1	46%	0.46	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	25.8	178.9	-74.5	-74.5	0	0	0	114.3	W1163 Q1165	W1163-N1167 PolarHBondContact O-N 2.88Å; W1163-N1167 PolarHBondContact O-ND2 3.35Å; Q1165-N1167 PolarHBondContact O-N 2.77Å; Q1165-N1167 VanDerWaalsContact O-N 3.1Å
1168	R	88	Confident	90.5	Very high	30 Å²	30	38 Å²	38	11%	0.113	20%	0.199	C	C	.	.	S	Bend	trans	-147.5	160	170.6	68.4	-168.2	74.7	-145.8	-8.3	112.8	D1109 G1111 L1164 Q1165 F1170 S1172	D1109-R1168 IonicContact OD1-CZ 3.46Å; D1109-R1168 IonicContact OD1-NH1 2.7Å; D1109-R1168 PolarHBondContact OD1-NH1 3.11Å; D1109-R1168 IonicContact OD1-NH2 3.43Å; D1109-R1168 IonicContact OD2-CZ 3.19Å; D1109-R1168 IonicContact OD2-NH1 3.26Å; D1109-R1168 PolarHBondContact OD2-NH1 3.26Å; D1109-R1168 IonicContact OD2-NH2 3.47Å; D1109-R1168 PolarHBondContact OD2-NH2 2.83Å; G1111-R1168 PolarHBondContact O-NH1 3.09Å; L1164-R1168 VanDerWaalsContact O-CZ 3.28Å; L1164-R1168 PolarHBondContact O-NE 3.35Å; L1164-R1168 PolarHBondContact O-NH2 2.58Å; Q1165-R1168 WeakPolarHBondContact O-CG 3.4Å; Q1165-R1168 PolarHBondContact O-N 2.85Å; Q1165-R1168 VanDerWaalsContact O-N 3.13Å; R1168-F1170 WeakPolarHBondContact CD-O 3.45Å; R1168-F1170 VanDerWaalsContact CG-O 3.25Å; R1168-F1170 WeakPolarHBondContact CG-O 3.49Å; R1168-S1172 WeakPolarHBondContact CD-OG 3.45Å; R1168-S1172 PolarHBondContact NH1-OG 3.22Å
1169	A	86	Confident	90.1	Very high	44 Å²	44	37.8 Å²	37.8	36%	0.364	20%	0.201	S	C	.	.	S	Bend	trans	-81.7	-28	-179.6	0	0	0	0	0	114	R859 D904	R859-A1169 VanDerWaalsContact CD-O 3.24Å; R859-A1169 WeakPolarHBondContact CD-O 3.44Å; R859-A1169 VanDerWaalsContact CG-O 3.32Å; R859-A1169 WeakPolarHBondContact CG-O 3.36Å; R859-A1169 PolarHBondContact NE-O 3.43Å; D904-A1169 VanDerWaalsContact OD1-CB 3.24Å; D904-A1169 WeakPolarHBondContact OD1-CB 3.5Å
1170	F	86.6	Confident	89.6	Confident	31 Å²	31	40.3 Å²	40.3	14%	0.136	21%	0.213	C	C	.	.	S	Bend	trans	-121	119.7	-178.5	-68.6	-84.1	0	0	0	109.5	F836 D856 R859 D904 R1168 S1172	F836-F1170 AromaticContact CE1-CE1 3.9Å; F836-F1170 HydrophobicContact CE1-CE1 3.9Å; F836-F1170 AromaticContact CE1-CZ 3.88Å; F836-F1170 HydrophobicContact CE1-CZ 3.88Å; F836-F1170 HydrophobicContact CZ-CE1 4.41Å; F836-F1170 HydrophobicContact CZ-CZ 4.16Å; D856-F1170 HydrophobicContact CB-CD1 4.34Å; D856-F1170 HydrophobicContact CB-CE1 4.49Å; D856-F1170 WeakPolarHBondContact OD1-CD1 3.39Å; R859-F1170 HydrophobicContact CB-CD1 3.92Å; R859-F1170 HydrophobicContact CB-CE1 3.81Å; R859-F1170 HydrophobicContact CG-CD1 3.75Å; R859-F1170 HydrophobicContact CG-CE1 3.48Å; R859-F1170 VanDerWaalsContact CG-CE1 3.48Å; R859-F1170 HydrophobicContact CG-CG 4.38Å; R859-F1170 HydrophobicContact CG-CZ 3.89Å; D904-F1170 HydrophobicContact CB-CE2 3.87Å; R1168-F1170 WeakPolarHBondContact CD-O 3.45Å; R1168-F1170 VanDerWaalsContact CG-O 3.25Å; R1168-F1170 WeakPolarHBondContact CG-O 3.49Å; F1170-S1172 PolarHBondContact O-N 3.23Å
1171	S	85.8	Confident	88.8	Confident	51 Å²	51	46.6 Å²	46.6	36%	0.357	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-65.5	120.4	-178.1	169.5	0	0	0	0	110.7	Q1165	Q1165-S1171 PolarHBondContact NE2-OG 2.93Å
1172	S	90.4	Very high	87.8	Confident	3 Å²	3	50 Å²	50	2%	0.021	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-77.8	131	-179.4	-64.1	0	0	0	0	110.5	G1111 Q1165 R1168 F1170	G1111-S1172 PolarHBondContact O-OG 2.94Å; Q1165-S1172 PolarHBondContact NE2-O 3.38Å; R1168-S1172 WeakPolarHBondContact CD-OG 3.45Å; R1168-S1172 PolarHBondContact NH1-OG 3.22Å; F1170-S1172 PolarHBondContact O-N 3.23Å
1173	P	89.7	Confident	86.7	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.045	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-63.4	151.8	166.9	27.7	-33.5	0	0	0	110.3	N1112 V1113 F1114	N1112-P1173 WeakPolarHBondContact O-CD 3.4Å; V1113-P1173 HydrophobicContact CG2-CG 4.35Å; F1114-P1173 PolarHBondContact N-O 3.37Å
1174	I	91.5	Very high	85.9	Confident	20 Å²	20	47.3 Å²	47.3	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.2	170.7	-172.4	165.4	0	0	0	110.3	L1107 F1114 L1116 S1144 I1146 L1161	L1107-I1174 HydrophobicContact CD1-CD1 4.26Å; F1114-I1174 HydrophobicContact CB-CB 4.06Å; F1114-I1174 HydrophobicContact CB-CD1 4.32Å; F1114-I1174 HydrophobicContact CB-CG1 3.88Å; F1114-I1174 CarbonylContact O-C 3.47Å; F1114-I1174 WeakPolarHBondContact O-CA 3.42Å; L1116-I1174 HydrophobicContact CB-CD1 4.24Å; L1116-I1174 HydrophobicContact CB-CG1 4.5Å; S1144-I1174 CarbonylContact C-O 3.52Å; S1144-I1174 VanDerWaalsContact CA-O 3.23Å; S1144-I1174 WeakPolarHBondContact CA-O 3.48Å; S1144-I1174 VanDerWaalsContact O-CG2 3.23Å; S1144-I1174 WeakPolarHBondContact O-CG2 3.15Å; I1146-I1174 HydrophobicContact CD1-CD1 4.15Å; I1146-I1174 HydrophobicContact CG1-CD1 4.13Å; L1161-I1174 HydrophobicContact CD1-CD1 3.87Å; L1161-I1174 HydrophobicContact CD2-CD1 4.09Å
1175	H	90.3	Very high	85.4	Confident	49 Å²	49	50.7 Å²	50.7	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.9	177.3	-64.1	-19.8	0	0	0	108.9	F1114 Y1115 L1116	F1114-H1175 PolarHBondContact O-N 2.93Å; Y1115-H1175 WeakPolarHBondContact CA-O 3.43Å; Y1115-H1175 HydrophobicContact CD1-CB 4.02Å; Y1115-H1175 HydrophobicContact CE1-CB 4.26Å; L1116-H1175 PolarHBondContact N-O 3.27Å
1176	I	92.3	Very high	84.8	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118.5	177.6	-65.3	153.2	0	0	0	108	L1116 I1118 L1131 I1139 M1143 H1145 I1146	L1116-I1176 HydrophobicContact CB-CG1 4.18Å; L1116-I1176 HydrophobicContact CD2-CG1 4.26Å; L1116-I1176 WeakPolarHBondContact O-CA 3.34Å; I1118-I1176 HydrophobicContact CG1-CG2 4.04Å; L1131-I1176 HydrophobicContact CD1-CG2 4.4Å; L1131-I1176 HydrophobicContact CD2-CD1 4.03Å; I1139-I1176 HydrophobicContact CG2-CG2 4.17Å; M1143-I1176 HydrophobicContact CB-CB 4.25Å; M1143-I1176 HydrophobicContact CB-CD1 4.05Å; M1143-I1176 HydrophobicContact CE-CD1 3.93Å; M1143-I1176 HydrophobicContact CG-CD1 3.63Å; M1143-I1176 WeakPolarHBondContact O-CB 3.48Å; M1143-I1176 PolarHBondContact O-N 3.24Å; M1143-I1176 HydrophobicContact SD-CD1 3.72Å; H1145-I1176 VanDerWaalsContact O-CD1 3.28Å; H1145-I1176 WeakPolarHBondContact O-CD1 3.33Å; I1146-I1176 HydrophobicContact CD1-CD1 4.15Å
1177	I	90.1	Very high	84.7	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.087	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.2	-174	-75.9	180	0	0	0	109.5	Y1115 L1116 W1117 I1118 A1183	Y1115-I1177 HydrophobicContact CD1-CD1 3.41Å; Y1115-I1177 VanDerWaalsContact CD1-CD1 3.41Å; Y1115-I1177 HydrophobicContact CD1-CG1 4.35Å; Y1115-I1177 HydrophobicContact CE1-CD1 3.97Å; Y1115-I1177 HydrophobicContact CG-CD1 4.06Å; L1116-I1177 PolarHBondContact O-N 3.1Å; W1117-I1177 HydrophobicContact CD2-CG2 4.35Å; W1117-I1177 HydrophobicContact CE3-CB 4.41Å; W1117-I1177 HydrophobicContact CE3-CG2 3.35Å; W1117-I1177 HydrophobicContact CZ3-CG2 3.61Å; I1118-I1177 PolarHBondContact N-O 3.1Å; I1177-A1183 HydrophobicContact CB-CB 4.43Å; I1177-A1183 HydrophobicContact CD1-CB 4.42Å; I1177-A1183 HydrophobicContact CG1-CB 4.33Å; I1177-A1183 HydrophobicContact CG2-CB 3.45Å; I1177-A1183 VanDerWaalsContact CG2-CB 3.45Å
1178	K	90.8	Very high	85.1	Confident	40 Å²	40	44 Å²	44	17%	0.174	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	154.2	173.2	-60.8	178	79.9	164.5	0	109.6	Y1136 A1137 I1139 D1180	Y1136-K1178 HydrophobicContact CE2-CB 4.27Å; Y1136-K1178 HydrophobicContact CE2-CG 4.49Å; Y1136-K1178 WeakPolarHBondContact O-CE 3.36Å; Y1136-K1178 PolarHBondContact O-NZ 3.32Å; A1137-K1178 PolarHBondContact O-NZ 2.63Å; A1137-K1178 VanDerWaalsContact O-NZ 3.12Å; I1139-K1178 HydrophobicContact CB-CD 4.05Å; I1139-K1178 HydrophobicContact CG2-CD 4.07Å; I1139-K1178 HydrophobicContact CG2-CG 4.22Å; I1139-K1178 PolarHBondContact O-NZ 2.61Å; K1178-D1180 PolarHBondContact O-N 2.99Å
1179	D	86.6	Confident	85.1	Confident	38 Å²	38	46.4 Å²	46.4	20%	0.203	27%	0.269	C	S	.	.	S	Bend	trans	-66.4	78.7	166.7	-176.9	3.8	0	0	0	111	W1117 I1118 K1120 Y1136 K1184	W1117-D1179 HydrophobicContact CH2-CB 4.09Å; W1117-D1179 HydrophobicContact CZ2-CB 3.65Å; I1118-D1179 PolarHBondContact O-N 3.29Å; K1120-D1179 HydrophobicContact CB-CB 4.03Å; K1120-D1179 WeakPolarHBondContact CB-OD2 3.27Å; K1120-D1179 PolarHBondContact N-OD2 2.91Å; Y1136-D1179 WeakPolarHBondContact OH-CA 3.15Å; Y1136-D1179 WeakPolarHBondContact OH-CB 3.48Å; Y1136-D1179 PolarHBondContact OH-N 3.29Å; Y1136-D1179 PolarHBondContact OH-O 3.23Å; D1179-K1184 WeakPolarHBondContact OD1-CE 3.39Å; D1179-K1184 IonicContact OD1-NZ 3.52Å; D1179-K1184 PolarHBondContact OD1-NZ 3.44Å
1180	D	82.9	Confident	85.5	Confident	66 Å²	66	46.2 Å²	46.2	35%	0.353	26%	0.261	S	S	.	.	S	Bend	trans	-127.9	168.8	170.6	79.3	64.9	0	0	0	112.1	K1178 S1182 A1183 K1184	K1178-D1180 PolarHBondContact O-N 2.99Å; D1180-S1182 WeakPolarHBondContact OD1-CA 3.48Å; D1180-S1182 WeakPolarHBondContact OD1-CB 3.45Å; D1180-S1182 PolarHBondContact OD1-N 3.25Å; D1180-S1182 PolarHBondContact OD1-OG 3.39Å; D1180-A1183 PolarHBondContact OD1-N 2.85Å; D1180-K1184 VanDerWaalsContact O-CG 3.28Å; D1180-K1184 WeakPolarHBondContact O-CG 3.47Å; D1180-K1184 PolarHBondContact O-N 3.41Å
1181	V	78.1	Confident	85.9	Confident	134 Å²	134	45 Å²	45	81%	0.812	26%	0.256	S	S	*	.	H	α-helix	trans	-69.9	-33.3	-172.9	-177.7	0	0	0	0	112.7
1182	S	72.9	Confident	86.3	Confident	89 Å²	89	43 Å²	43	62%	0.622	24%	0.241	S	C	*	.	H	α-helix	trans	-75.3	-46.2	-176.5	70.3	0	0	0	0	111.5	D1180 K1184 A1185	D1180-S1182 WeakPolarHBondContact OD1-CA 3.48Å; D1180-S1182 WeakPolarHBondContact OD1-CB 3.45Å; D1180-S1182 PolarHBondContact OD1-N 3.25Å; D1180-S1182 PolarHBondContact OD1-OG 3.39Å; S1182-K1184 VanDerWaalsContact C-N 3.34Å; S1182-K1184 PolarHBondContact O-N 3.39Å; S1182-A1185 PolarHBondContact O-N 3.32Å
1183	A	71.3	Confident	86.6	Confident	14 Å²	14	43.9 Å²	43.9	12%	0.116	25%	0.245	C	C	.	.	H	α-helix	trans	-77.3	-20.7	-176.3	0	0	0	0	0	113.1	I1177 D1180 A1185 T1186 L1187	I1177-A1183 HydrophobicContact CB-CB 4.43Å; I1177-A1183 HydrophobicContact CD1-CB 4.42Å; I1177-A1183 HydrophobicContact CG1-CB 4.33Å; I1177-A1183 HydrophobicContact CG2-CB 3.45Å; I1177-A1183 VanDerWaalsContact CG2-CB 3.45Å; D1180-A1183 PolarHBondContact OD1-N 2.85Å; A1183-A1185 VanDerWaalsContact C-N 3.33Å; A1183-A1185 PolarHBondContact O-N 3.44Å; A1183-T1186 PolarHBondContact O-N 2.81Å; A1183-L1187 PolarHBondContact O-N 3.39Å
1184	K	78.3	Confident	86.9	Confident	74 Å²	74	45.5 Å²	45.5	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-55.1	-45.4	167.8	-85.9	179.2	179.5	163	0	112.6	W1117 D1179 D1180 S1182 T1186 L1187 F1188	W1117-K1184 HydrophobicContact CH2-CD 4.35Å; W1117-K1184 HydrophobicContact CH2-CG 3.54Å; W1117-K1184 HydrophobicContact CZ3-CG 4.02Å; D1179-K1184 WeakPolarHBondContact OD1-CE 3.39Å; D1179-K1184 IonicContact OD1-NZ 3.52Å; D1179-K1184 PolarHBondContact OD1-NZ 3.44Å; D1180-K1184 VanDerWaalsContact O-CG 3.28Å; D1180-K1184 WeakPolarHBondContact O-CG 3.47Å; D1180-K1184 PolarHBondContact O-N 3.41Å; S1182-K1184 VanDerWaalsContact C-N 3.34Å; S1182-K1184 PolarHBondContact O-N 3.39Å; K1184-T1186 PolarHBondContact O-N 2.93Å; K1184-L1187 PolarHBondContact O-N 3.16Å; K1184-F1188 HydrophobicContact CB-CD1 4.2Å; K1184-F1188 HydrophobicContact CB-CE1 4.33Å; K1184-F1188 HydrophobicContact CD-CE1 4.46Å; K1184-F1188 HydrophobicContact CD-CZ 4.39Å; K1184-F1188 HydrophobicContact CG-CD1 4.18Å; K1184-F1188 HydrophobicContact CG-CE1 3.8Å; K1184-F1188 HydrophobicContact CG-CZ 4.22Å; K1184-F1188 WeakPolarHBondContact O-CB 3.25Å; K1184-F1188 VanDerWaalsContact O-CD1 3.23Å; K1184-F1188 WeakPolarHBondContact O-CD1 3.38Å; K1184-F1188 WeakPolarHBondContact O-CG 3.12Å; K1184-F1188 PolarHBondContact O-N 2.95Å
1185	A	80.8	Confident	87.1	Confident	72 Å²	72	53.1 Å²	53.1	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-59.6	-38.8	-179.9	0	0	0	0	0	111.9	S1182 A1183	S1182-A1185 PolarHBondContact O-N 3.32Å; A1183-A1185 VanDerWaalsContact C-N 3.33Å; A1183-A1185 PolarHBondContact O-N 3.44Å
1186	T	79.9	Confident	86.9	Confident	53 Å²	53	53.2 Å²	53.2	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-41.5	179.4	-53.6	0	0	0	0	113.1	Y1115 A1183 K1184 Q1189 H1190	Y1115-T1186 HydrophobicContact CE1-CG2 4.07Å; A1183-T1186 PolarHBondContact O-N 2.81Å; K1184-T1186 PolarHBondContact O-N 2.93Å; T1186-Q1189 WeakPolarHBondContact O-CG 3.27Å; T1186-Q1189 PolarHBondContact O-NE2 2.82Å; T1186-H1190 PolarHBondContact O-CD2 3.22Å
1187	L	85.8	Confident	86.4	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-82	-43.9	179.1	-168.9	82.2	0	0	0	112.4	L1100 M1108 Y1115 W1117 A1183 K1184 Q1189 H1190	L1100-L1187 HydrophobicContact CD1-CD2 4.03Å; M1108-L1187 HydrophobicContact CB-CD1 4.19Å; M1108-L1187 HydrophobicContact CE-CD1 3.79Å; M1108-L1187 HydrophobicContact CE-CG 4.05Å; M1108-L1187 HydrophobicContact SD-CD1 3.71Å; M1108-L1187 HydrophobicContact SD-CG 4.43Å; Y1115-L1187 HydrophobicContact CD2-CD1 4.14Å; Y1115-L1187 HydrophobicContact CG-CD1 4.17Å; W1117-L1187 HydrophobicContact CB-CD2 4.07Å; W1117-L1187 HydrophobicContact CD2-CD2 3.83Å; W1117-L1187 HydrophobicContact CE3-CB 4.35Å; W1117-L1187 HydrophobicContact CE3-CD2 3.54Å; W1117-L1187 HydrophobicContact CG-CD2 4.05Å; W1117-L1187 HydrophobicContact CZ3-CD2 4.34Å; A1183-L1187 PolarHBondContact O-N 3.39Å; K1184-L1187 PolarHBondContact O-N 3.16Å; L1187-Q1189 VanDerWaalsContact C-N 3.26Å; L1187-Q1189 PolarHBondContact O-N 2.88Å; L1187-H1190 WeakPolarHBondContact O-CB 3.41Å; L1187-H1190 PolarHBondContact O-N 3.29Å
1188	F	89.1	Confident	86	Confident	80 Å²	80	63.8 Å²	63.8	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-21.6	-167.6	-78.3	46.3	0	0	0	112.8	A1097 L1100 W1117 K1184 H1190 L1191	A1097-F1188 HydrophobicContact CB-CE2 4.13Å; L1100-F1188 HydrophobicContact CD1-CE1 4.31Å; W1117-F1188 HydrophobicContact CH2-CE1 4.24Å; W1117-F1188 HydrophobicContact CZ3-CE1 4.41Å; K1184-F1188 HydrophobicContact CB-CD1 4.2Å; K1184-F1188 HydrophobicContact CB-CE1 4.33Å; K1184-F1188 HydrophobicContact CD-CE1 4.46Å; K1184-F1188 HydrophobicContact CD-CZ 4.39Å; K1184-F1188 HydrophobicContact CG-CD1 4.18Å; K1184-F1188 HydrophobicContact CG-CE1 3.8Å; K1184-F1188 HydrophobicContact CG-CZ 4.22Å; K1184-F1188 WeakPolarHBondContact O-CB 3.25Å; K1184-F1188 VanDerWaalsContact O-CD1 3.23Å; K1184-F1188 WeakPolarHBondContact O-CD1 3.38Å; K1184-F1188 WeakPolarHBondContact O-CG 3.12Å; K1184-F1188 PolarHBondContact O-N 2.95Å; F1188-H1190 PolarHBondContact O-N 2.76Å; F1188-L1191 HydrophobicContact CB-CD1 4.26Å; F1188-L1191 HydrophobicContact CD1-CD1 3.99Å; F1188-L1191 HydrophobicContact CD2-CD1 4Å; F1188-L1191 HydrophobicContact CE1-CD1 4.29Å; F1188-L1191 HydrophobicContact CE2-CD1 4.31Å; F1188-L1191 HydrophobicContact CG-CD1 3.82Å; F1188-L1191 HydrophobicContact CZ-CD1 4.44Å; F1188-L1191 PolarHBondContact O-N 3.11Å; F1188-L1191 VanDerWaalsContact O-N 3.07Å
1189	Q	88.9	Confident	86	Confident	80 Å²	80	63 Å²	63	37%	0.374	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18	169.1	66.8	179.1	-24.8	0	0	113.9	T1186 L1187	T1186-Q1189 WeakPolarHBondContact O-CG 3.27Å; T1186-Q1189 PolarHBondContact O-NE2 2.82Å; L1187-Q1189 VanDerWaalsContact C-N 3.26Å; L1187-Q1189 PolarHBondContact O-N 2.88Å
1190	H	92.7	Very high	86.4	Confident	40 Å²	40	63.1 Å²	63.1	19%	0.185	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.4	175	-64	-80.4	0	0	0	113.1	P1066 M1108 T1186 L1187 F1188 V1192	P1066-H1190 HydrophobicContact CG-CB 4.25Å; M1108-H1190 HydrophobicContact CE-CB 4.08Å; M1108-H1190 HydrophobicContact SD-CB 3.45Å; M1108-H1190 WeakPolarHBondContact SD-CB 3.18Å; T1186-H1190 PolarHBondContact O-CD2 3.22Å; L1187-H1190 WeakPolarHBondContact O-CB 3.41Å; L1187-H1190 PolarHBondContact O-N 3.29Å; F1188-H1190 PolarHBondContact O-N 2.76Å; H1190-V1192 PolarHBondContact O-N 3.49Å
1191	L	95.1	Very high	87	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	34%	0.336	C	S	.	.			trans	-81.2	68.2	174.8	-58.8	175.4	0	0	0	109.6	L1095 A1097 L1100 M1108 F1188 E1193 D1194	L1095-L1191 CarbonylContact O-C 3.51Å; L1095-L1191 WeakPolarHBondContact O-CA 3.38Å; A1097-L1191 HydrophobicContact CB-CD1 4.09Å; L1100-L1191 HydrophobicContact CD1-CD1 3.88Å; L1100-L1191 HydrophobicContact CD1-CD2 4.4Å; M1108-L1191 HydrophobicContact CE-CD2 3.84Å; F1188-L1191 HydrophobicContact CB-CD1 4.26Å; F1188-L1191 HydrophobicContact CD1-CD1 3.99Å; F1188-L1191 HydrophobicContact CD2-CD1 4Å; F1188-L1191 HydrophobicContact CE1-CD1 4.29Å; F1188-L1191 HydrophobicContact CE2-CD1 4.31Å; F1188-L1191 HydrophobicContact CG-CD1 3.82Å; F1188-L1191 HydrophobicContact CZ-CD1 4.44Å; F1188-L1191 PolarHBondContact O-N 3.11Å; F1188-L1191 VanDerWaalsContact O-N 3.07Å; L1191-E1193 PolarHBondContact O-N 3.08Å; L1191-E1193 VanDerWaalsContact O-N 3.12Å; L1191-D1194 PolarHBondContact O-N 2.99Å; L1191-D1194 VanDerWaalsContact O-N 3.09Å
1192	V	95.3	Very high	88	Confident	8 Å²	8	55.7 Å²	55.7	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.1	-168.5	-64.1	0	0	0	0	114.9	A1027 K1030 L1095 H1190	A1027-V1192 HydrophobicContact CB-CB 4.11Å; A1027-V1192 HydrophobicContact CB-CG1 4.24Å; A1027-V1192 HydrophobicContact CB-CG2 3.85Å; K1030-V1192 HydrophobicContact CB-CG1 4.4Å; K1030-V1192 HydrophobicContact CD-CB 4.21Å; K1030-V1192 HydrophobicContact CD-CG1 4.49Å; K1030-V1192 WeakPolarHBondContact CD-O 3.27Å; K1030-V1192 PolarHBondContact NZ-O 3.31Å; L1095-V1192 HydrophobicContact CB-CG2 4.02Å; L1095-V1192 HydrophobicContact CD1-CG2 3.72Å; L1095-V1192 PolarHBondContact O-N 3.42Å; H1190-V1192 PolarHBondContact O-N 3.49Å
1193	E	96.4	Very high	89.1	Confident	22 Å²	22	56 Å²	56	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-26.1	173.9	-66.2	179.7	-116.6	0	0	112.6	L1023 H1094 L1095 L1191 S1201 Y1202	L1023-E1193 HydrophobicContact CD1-CG 3.52Å; H1094-E1193 VanDerWaalsContact CA-OE1 3.31Å; H1094-E1193 WeakPolarHBondContact CA-OE1 3.34Å; H1094-E1193 VanDerWaalsContact CB-OE1 3.22Å; H1094-E1193 WeakPolarHBondContact CB-OE1 3.47Å; H1094-E1193 IonicContact CE1-OE2 2.73Å; H1094-E1193 IonicContact CG-OE1 2.7Å; H1094-E1193 IonicContact CG-OE2 3.06Å; H1094-E1193 VanDerWaalsContact ND1-CD 3.27Å; H1094-E1193 IonicContact ND1-OE1 2.71Å; H1094-E1193 PolarHBondContact ND1-OE1 2.87Å; H1094-E1193 IonicContact ND1-OE2 3.79Å; H1094-E1193 PolarHBondContact ND1-OE2 3.44Å; L1095-E1193 PolarHBondContact N-OE1 3.03Å; L1095-E1193 WeakPolarHBondContact O-CB 3.42Å; L1095-E1193 PolarHBondContact O-N 3.41Å; L1191-E1193 PolarHBondContact O-N 3.08Å; L1191-E1193 VanDerWaalsContact O-N 3.12Å; E1193-S1201 CarbonylContact O-C 3.59Å; E1193-S1201 VanDerWaalsContact O-CA 3.26Å; E1193-S1201 WeakPolarHBondContact O-CA 3.28Å; E1193-S1201 WeakPolarHBondContact O-CB 3.27Å; E1193-Y1202 PolarHBondContact O-N 3.02Å
1194	D	95.8	Very high	90.3	Very high	41 Å²	41	58 Å²	58	22%	0.219	30%	0.3	C	S	.	.	S	Bend	trans	-75.5	157.3	-177.2	-67.1	-25.5	0	0	0	112.6	K1030 S1096 A1097 L1191	K1030-D1194 PolarHBondContact NZ-O 2.8Å; S1096-D1194 WeakPolarHBondContact CA-OD1 3.5Å; S1096-D1194 WeakPolarHBondContact CA-OD2 3.33Å; S1096-D1194 VanDerWaalsContact CB-OD1 3.23Å; S1096-D1194 WeakPolarHBondContact CB-OD1 3.41Å; S1096-D1194 PolarHBondContact OG-OD1 2.69Å; A1097-D1194 WeakPolarHBondContact CB-OD2 3.49Å; A1097-D1194 PolarHBondContact N-OD2 3.03Å; L1191-D1194 PolarHBondContact O-N 2.99Å; L1191-D1194 VanDerWaalsContact O-N 3.09Å
1195	R	95.2	Very high	91.2	Very high	180 Å²	180	54.8 Å²	54.8	68%	0.679	29%	0.286	S	S	*	.			trans	-73.3	135.8	171.3	-178.4	172.5	172.7	159.6	-9.3	110.2	E1204	R1195-E1204 WeakPolarHBondContact CD-OE1 3.34Å; R1195-E1204 WeakPolarHBondContact CD-OE2 3.29Å; R1195-E1204 IonicContact CZ-OE1 3.63Å; R1195-E1204 IonicContact NE-OE1 3.54Å; R1195-E1204 IonicContact NH1-OE1 2.63Å; R1195-E1204 PolarHBondContact NH1-OE1 2.84Å
1196	S	87.4	Confident	92	Very high	50 Å²	50	51.5 Å²	51.5	35%	0.35	26%	0.258	S	S	.	.			trans	-116.7	175.9	172.2	70.7	0	0	0	0	111.2	S1198 A1199	S1196-S1198 PolarHBondContact O-N 3.47Å; S1196-A1199 PolarHBondContact N-O 2.93Å; S1196-A1199 PolarHBondContact OG-N 3.4Å; S1196-A1199 PolarHBondContact OG-O 3.35Å
1197	E	80.4	Confident	92.8	Very high	208 Å²	208	52.7 Å²	52.7	97%	0.972	26%	0.26	S	S	*	.	S	Bend	trans	-59.6	-33.6	-179.4	-60.8	-178.9	157.6	0	0	113.1
1198	S	82.5	Confident	93.3	Very high	44 Å²	44	56 Å²	56	31%	0.308	28%	0.275	S	S	.	.	S	Bend	trans	-120.6	2.3	-174.7	65.7	0	0	0	0	115.4	T1036 T1038 S1196	T1036-S1198 WeakPolarHBondContact O-CB 3.15Å; T1036-S1198 PolarHBondContact O-OG 2.94Å; T1038-S1198 PolarHBondContact N-OG 3.34Å; T1038-S1198 PolarHBondContact OG1-OG 3.23Å; S1196-S1198 PolarHBondContact O-N 3.47Å
1199	A	90.5	Very high	93.6	Very high	23 Å²	23	52.2 Å²	52.2	19%	0.19	26%	0.259	C	S	.	.	S	Bend	trans	-146.2	142.8	177.9	0	0	0	0	0	112.8	K1030 S1196	K1030-A1199 HydrophobicContact CD-CB 4.47Å; K1030-A1199 HydrophobicContact CG-CB 4.03Å; S1196-A1199 PolarHBondContact N-O 2.93Å; S1196-A1199 PolarHBondContact OG-N 3.4Å; S1196-A1199 PolarHBondContact OG-O 3.35Å
1200	S	94.1	Very high	93.9	Very high	41 Å²	41	51.1 Å²	51.1	29%	0.287	25%	0.253	S	S	.	.			trans	-62.4	154.2	-179.6	52.8	0	0	0	0	113.6	K1030	K1030-S1200 WeakPolarHBondContact CE-O 3.11Å; K1030-S1200 PolarHBondContact NZ-O 3.5Å
1201	S	97.1	Very high	93.9	Very high	23 Å²	23	54.6 Å²	54.6	16%	0.161	27%	0.27	C	S	.	.			trans	-63.6	169.1	161.2	61.1	0	0	0	0	111.9	E1193 H1203 E1204 F1205	E1193-S1201 CarbonylContact O-C 3.59Å; E1193-S1201 VanDerWaalsContact O-CA 3.26Å; E1193-S1201 WeakPolarHBondContact O-CA 3.28Å; E1193-S1201 WeakPolarHBondContact O-CB 3.27Å; S1201-H1203 VanDerWaalsContact C-N 3.34Å; S1201-H1203 PolarHBondContact O-N 3.22Å; S1201-E1204 WeakPolarHBondContact CB-OE2 3.23Å; S1201-E1204 PolarHBondContact N-OE2 3.41Å; S1201-E1204 PolarHBondContact O-N 3.19Å; S1201-E1204 WeakPolarHBondContact OG-CB 3.33Å; S1201-E1204 VanDerWaalsContact OG-CD 3.27Å; S1201-E1204 VanDerWaalsContact OG-CG 3.3Å; S1201-E1204 WeakPolarHBondContact OG-CG 3.49Å; S1201-E1204 PolarHBondContact OG-N 2.95Å; S1201-E1204 PolarHBondContact OG-OE2 3.14Å; S1201-F1205 WeakPolarHBondContact O-CB 3.4Å; S1201-F1205 PolarHBondContact O-N 3.37Å
1202	Y	97.4	Very high	93.8	Very high	20 Å²	20	56.9 Å²	56.9	8%	0.078	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-40.4	174.3	-177.3	-119.3	0	0	0	112.9	L480 P1022 L1023 L1026 E1193 F1205 L1206	L480-Y1202 HydrophobicContact CD1-CE1 3.49Å; L480-Y1202 VanDerWaalsContact CD1-CE1 3.49Å; L480-Y1202 WeakPolarHBondContact CD1-OH 3.29Å; P1022-Y1202 HydrophobicContact CB-CE2 4.28Å; L1023-Y1202 HydrophobicContact CB-CD2 4.27Å; L1023-Y1202 HydrophobicContact CB-CE2 3.76Å; L1023-Y1202 HydrophobicContact CD1-CD2 4.06Å; L1023-Y1202 HydrophobicContact CD1-CE2 4.39Å; L1023-Y1202 HydrophobicContact CD1-CG 4.39Å; L1026-Y1202 VanDerWaalsContact CD2-CA 3.43Å; L1026-Y1202 HydrophobicContact CD2-CD2 4.09Å; E1193-Y1202 PolarHBondContact O-N 3.02Å; Y1202-F1205 PolarHBondContact O-N 3.03Å; Y1202-L1206 HydrophobicContact CD1-CD1 4.19Å; Y1202-L1206 HydrophobicContact CD2-CG 4.47Å; Y1202-L1206 HydrophobicContact CE1-CD1 3.61Å; Y1202-L1206 HydrophobicContact CE1-CG 4.29Å; Y1202-L1206 HydrophobicContact CE2-CD1 4.23Å; Y1202-L1206 HydrophobicContact CE2-CD2 4.1Å; Y1202-L1206 HydrophobicContact CE2-CG 4.02Å; Y1202-L1206 WeakPolarHBondContact O-CG 3.41Å; Y1202-L1206 PolarHBondContact O-N 3.49Å
1203	H	96.4	Very high	93.5	Very high	97 Å²	97	58.2 Å²	58.2	45%	0.449	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-44.9	178.3	-170.9	71.5	0	0	0	112.3	S1201 F1205 L1206 Q1207	S1201-H1203 VanDerWaalsContact C-N 3.34Å; S1201-H1203 PolarHBondContact O-N 3.22Å; H1203-F1205 VanDerWaalsContact C-N 3.3Å; H1203-F1205 PolarHBondContact O-N 3.13Å; H1203-L1206 PolarHBondContact O-N 3.21Å; H1203-Q1207 PolarHBondContact CD2-NE2 3.1Å; H1203-Q1207 PolarHBondContact NE2-NE2 3.45Å; H1203-Q1207 WeakPolarHBondContact O-CG 3.3Å; H1203-Q1207 PolarHBondContact O-N 2.98Å
1204	E	97.4	Very high	92.8	Very high	56 Å²	56	61.7 Å²	61.7	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-35.4	174.6	-71	163.5	136.7	0	0	112	R1195 S1201 Q1207 H1208	R1195-E1204 WeakPolarHBondContact CD-OE1 3.34Å; R1195-E1204 WeakPolarHBondContact CD-OE2 3.29Å; R1195-E1204 IonicContact CZ-OE1 3.63Å; R1195-E1204 IonicContact NE-OE1 3.54Å; R1195-E1204 IonicContact NH1-OE1 2.63Å; R1195-E1204 PolarHBondContact NH1-OE1 2.84Å; S1201-E1204 WeakPolarHBondContact CB-OE2 3.23Å; S1201-E1204 PolarHBondContact N-OE2 3.41Å; S1201-E1204 PolarHBondContact O-N 3.19Å; S1201-E1204 WeakPolarHBondContact OG-CB 3.33Å; S1201-E1204 VanDerWaalsContact OG-CD 3.27Å; S1201-E1204 VanDerWaalsContact OG-CG 3.3Å; S1201-E1204 WeakPolarHBondContact OG-CG 3.49Å; S1201-E1204 PolarHBondContact OG-N 2.95Å; S1201-E1204 PolarHBondContact OG-OE2 3.14Å; E1204-Q1207 PolarHBondContact O-N 3.39Å; E1204-H1208 PolarHBondContact O-N 3.19Å
1205	F	97.7	Very high	91.9	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-65.4	-44.6	174.8	-176.5	-113.7	0	0	0	112	V990 P1022 I1025 L1026 L1029 S1201 Y1202 H1203 Q1207 H1208 I1209	V990-F1205 HydrophobicContact CG2-CE2 4.21Å; P1022-F1205 HydrophobicContact CB-CD1 4.49Å; P1022-F1205 HydrophobicContact CB-CE1 4.1Å; P1022-F1205 VanDerWaalsContact O-CE1 3.31Å; P1022-F1205 WeakPolarHBondContact O-CE1 3.32Å; I1025-F1205 HydrophobicContact CG2-CZ 4.14Å; L1026-F1205 HydrophobicContact CB-CD1 3.97Å; L1026-F1205 HydrophobicContact CB-CE1 4.24Å; L1026-F1205 HydrophobicContact CB-CG 4.32Å; L1026-F1205 HydrophobicContact CD1-CB 4.2Å; L1026-F1205 HydrophobicContact CD1-CD2 4.25Å; L1026-F1205 HydrophobicContact CD1-CG 4.11Å; L1026-F1205 HydrophobicContact CD2-CB 4.02Å; L1026-F1205 HydrophobicContact CD2-CG 4.39Å; L1029-F1205 HydrophobicContact CD1-CE2 4.03Å; L1029-F1205 HydrophobicContact CD1-CZ 4.29Å; S1201-F1205 WeakPolarHBondContact O-CB 3.4Å; S1201-F1205 PolarHBondContact O-N 3.37Å; Y1202-F1205 PolarHBondContact O-N 3.03Å; H1203-F1205 VanDerWaalsContact C-N 3.3Å; H1203-F1205 PolarHBondContact O-N 3.13Å; F1205-Q1207 VanDerWaalsContact C-N 3.34Å; F1205-Q1207 PolarHBondContact O-N 3.34Å; F1205-H1208 WeakPolarHBondContact O-CB 3.07Å; F1205-H1208 PolarHBondContact O-N 3.49Å; F1205-H1208 VanDerWaalsContact O-N 3.13Å; F1205-I1209 HydrophobicContact CD1-CG1 4.47Å; F1205-I1209 HydrophobicContact CE1-CD1 4.4Å; F1205-I1209 HydrophobicContact CE1-CG1 4.14Å; F1205-I1209 HydrophobicContact CE2-CD1 4.31Å; F1205-I1209 HydrophobicContact CE2-CG1 4.49Å; F1205-I1209 HydrophobicContact CZ-CD1 3.96Å; F1205-I1209 HydrophobicContact CZ-CG1 4.15Å; F1205-I1209 WeakPolarHBondContact O-CG1 3.48Å; F1205-I1209 PolarHBondContact O-N 2.99Å
1206	L	97.2	Very high	91.7	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-63.4	-37.9	174.8	-68.8	176.5	0	0	0	112.6	L474 L475 V1012 P1022 Y1202 H1203 H1208 I1209 Q1210	L474-L1206 HydrophobicContact CB-CD1 3.74Å; L474-L1206 HydrophobicContact CB-CD2 3.96Å; L474-L1206 HydrophobicContact CD1-CD2 3.97Å; L474-L1206 WeakPolarHBondContact O-CD1 3.45Å; L475-L1206 HydrophobicContact CD2-CB 3.56Å; L475-L1206 HydrophobicContact CD2-CD1 4.2Å; L475-L1206 HydrophobicContact CG-CB 4.43Å; V1012-L1206 HydrophobicContact CG1-CD2 4.25Å; P1022-L1206 HydrophobicContact CB-CD2 3.98Å; P1022-L1206 HydrophobicContact CG-CD2 4.39Å; Y1202-L1206 HydrophobicContact CD1-CD1 4.19Å; Y1202-L1206 HydrophobicContact CD2-CG 4.47Å; Y1202-L1206 HydrophobicContact CE1-CD1 3.61Å; Y1202-L1206 HydrophobicContact CE1-CG 4.29Å; Y1202-L1206 HydrophobicContact CE2-CD1 4.23Å; Y1202-L1206 HydrophobicContact CE2-CD2 4.1Å; Y1202-L1206 HydrophobicContact CE2-CG 4.02Å; Y1202-L1206 WeakPolarHBondContact O-CG 3.41Å; Y1202-L1206 PolarHBondContact O-N 3.49Å; H1203-L1206 PolarHBondContact O-N 3.21Å; L1206-H1208 VanDerWaalsContact C-N 3.33Å; L1206-I1209 PolarHBondContact O-N 2.68Å; L1206-Q1210 PolarHBondContact O-N 3Å
1207	Q	95.8	Very high	91.9	Very high	78 Å²	78	64.9 Å²	64.9	36%	0.364	33%	0.328	S	S	.	.	H	α-helix	trans	-61.3	-41.1	171.5	-70.5	-178.9	8	0	0	111.5	H1203 E1204 F1205 Q1210 Q1211	H1203-Q1207 PolarHBondContact CD2-NE2 3.1Å; H1203-Q1207 PolarHBondContact NE2-NE2 3.45Å; H1203-Q1207 WeakPolarHBondContact O-CG 3.3Å; H1203-Q1207 PolarHBondContact O-N 2.98Å; E1204-Q1207 PolarHBondContact O-N 3.39Å; F1205-Q1207 VanDerWaalsContact C-N 3.34Å; F1205-Q1207 PolarHBondContact O-N 3.34Å; Q1207-Q1210 PolarHBondContact O-N 3.36Å; Q1207-Q1211 VanDerWaalsContact O-CG 3.3Å; Q1207-Q1211 WeakPolarHBondContact O-CG 3.43Å; Q1207-Q1211 PolarHBondContact O-N 2.88Å
1208	H	96.1	Very high	92.6	Very high	72 Å²	72	57 Å²	57	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-46.9	174.9	-176.4	78.8	0	0	0	111.8	E1204 F1205 L1206 Q1210 Q1211 Q1212	E1204-H1208 PolarHBondContact O-N 3.19Å; F1205-H1208 WeakPolarHBondContact O-CB 3.07Å; F1205-H1208 PolarHBondContact O-N 3.49Å; F1205-H1208 VanDerWaalsContact O-N 3.13Å; L1206-H1208 VanDerWaalsContact C-N 3.33Å; H1208-Q1210 VanDerWaalsContact C-N 3.32Å; H1208-Q1210 PolarHBondContact O-N 3.12Å; H1208-Q1211 WeakPolarHBondContact O-CB 3.24Å; H1208-Q1211 PolarHBondContact O-N 3.16Å; H1208-Q1211 VanDerWaalsContact O-N 3.14Å; H1208-Q1212 PolarHBondContact CE1-NE2 2.97Å; H1208-Q1212 PolarHBondContact NE2-NE2 3.24Å; H1208-Q1212 WeakPolarHBondContact O-CG 3.28Å; H1208-Q1212 PolarHBondContact O-N 2.73Å
1209	I	96.4	Very high	93.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-46.8	174.6	-64.3	-61.4	0	0	0	110.6	V990 V993 V994 V1012 F1205 L1206 Q1211 Q1212 M1213	V990-I1209 HydrophobicContact CG1-CD1 3.99Å; V993-I1209 HydrophobicContact CB-CD1 3.89Å; V993-I1209 HydrophobicContact CG1-CD1 3.73Å; V993-I1209 HydrophobicContact CG1-CG1 3.99Å; V993-I1209 HydrophobicContact CG1-CG2 4.15Å; V994-I1209 HydrophobicContact CG2-CD1 3.62Å; V994-I1209 HydrophobicContact CG2-CG2 4.46Å; V1012-I1209 HydrophobicContact CG1-CG2 4.36Å; V1012-I1209 HydrophobicContact CG2-CG2 4.46Å; F1205-I1209 HydrophobicContact CD1-CG1 4.47Å; F1205-I1209 HydrophobicContact CE1-CD1 4.4Å; F1205-I1209 HydrophobicContact CE1-CG1 4.14Å; F1205-I1209 HydrophobicContact CE2-CD1 4.31Å; F1205-I1209 HydrophobicContact CE2-CG1 4.49Å; F1205-I1209 HydrophobicContact CZ-CD1 3.96Å; F1205-I1209 HydrophobicContact CZ-CG1 4.15Å; F1205-I1209 WeakPolarHBondContact O-CG1 3.48Å; F1205-I1209 PolarHBondContact O-N 2.99Å; L1206-I1209 PolarHBondContact O-N 2.68Å; I1209-Q1211 VanDerWaalsContact C-N 3.31Å; I1209-Q1211 PolarHBondContact O-N 3.33Å; I1209-Q1212 PolarHBondContact O-N 2.93Å; I1209-M1213 HydrophobicContact CG2-CG 4.27Å; I1209-M1213 HydrophobicContact CG2-SD 3.92Å; I1209-M1213 VanDerWaalsContact O-CG 3.25Å; I1209-M1213 WeakPolarHBondContact O-CG 3.25Å; I1209-M1213 PolarHBondContact O-N 3.07Å
1210	Q	94.2	Very high	93.3	Very high	56 Å²	56	59.9 Å²	59.9	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.9	-170.3	-177.2	7.3	0	0	112.7	V1012 L1206 Q1207 H1208 S1214	V1012-Q1210 HydrophobicContact CG2-CB 3.89Å; L1206-Q1210 PolarHBondContact O-N 3Å; Q1207-Q1210 PolarHBondContact O-N 3.36Å; H1208-Q1210 VanDerWaalsContact C-N 3.32Å; H1208-Q1210 PolarHBondContact O-N 3.12Å; Q1210-S1214 PolarHBondContact O-N 3.41Å; Q1210-S1214 PolarHBondContact O-OG 2.97Å
1211	Q	93.8	Very high	93.3	Very high	114 Å²	114	61.2 Å²	61.2	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-39	176.6	-71.7	169.1	15.6	0	0	112.4	Q1207 H1208 I1209 S1214	Q1207-Q1211 VanDerWaalsContact O-CG 3.3Å; Q1207-Q1211 WeakPolarHBondContact O-CG 3.43Å; Q1207-Q1211 PolarHBondContact O-N 2.88Å; H1208-Q1211 WeakPolarHBondContact O-CB 3.24Å; H1208-Q1211 PolarHBondContact O-N 3.16Å; H1208-Q1211 VanDerWaalsContact O-N 3.14Å; I1209-Q1211 VanDerWaalsContact C-N 3.31Å; I1209-Q1211 PolarHBondContact O-N 3.33Å; Q1211-S1214 PolarHBondContact O-N 3.28Å
1212	Q	93.1	Very high	93	Very high	53 Å²	53	63.9 Å²	63.9	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-38	177.4	-60.4	-73	35.9	0	0	111.6	V994 H1208 I1209 S1214 K1215	V994-Q1212 HydrophobicContact CG1-CB 4.01Å; V994-Q1212 HydrophobicContact CG2-CB 3.71Å; V994-Q1212 HydrophobicContact CG2-CG 4.32Å; H1208-Q1212 PolarHBondContact CE1-NE2 2.97Å; H1208-Q1212 PolarHBondContact NE2-NE2 3.24Å; H1208-Q1212 WeakPolarHBondContact O-CG 3.28Å; H1208-Q1212 PolarHBondContact O-N 2.73Å; I1209-Q1212 PolarHBondContact O-N 2.93Å; Q1212-S1214 PolarHBondContact O-N 3.09Å; Q1212-S1214 VanDerWaalsContact O-N 3.12Å; Q1212-K1215 PolarHBondContact O-N 2.74Å
1213	M	88.3	Confident	92.7	Very high	36 Å²	36	67.3 Å²	67.3	18%	0.177	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.2	171.8	-67.8	173.9	65.1	0	0	114.5	V994 V997 K1001 I1209	V994-M1213 HydrophobicContact CG1-CG 4.15Å; V997-M1213 HydrophobicContact CB-CE 4.04Å; V997-M1213 HydrophobicContact CB-SD 3.81Å; V997-M1213 HydrophobicContact CG1-CE 3.48Å; V997-M1213 VanDerWaalsContact CG1-CE 3.48Å; V997-M1213 HydrophobicContact CG1-SD 3.56Å; V997-M1213 VanDerWaalsContact CG1-SD 3.56Å; K1001-M1213 HydrophobicContact CB-CE 4.45Å; K1001-M1213 HydrophobicContact CD-CE 3.87Å; I1209-M1213 HydrophobicContact CG2-CG 4.27Å; I1209-M1213 HydrophobicContact CG2-SD 3.92Å; I1209-M1213 VanDerWaalsContact O-CG 3.25Å; I1209-M1213 WeakPolarHBondContact O-CG 3.25Å; I1209-M1213 PolarHBondContact O-N 3.07Å
1214	S	81	Confident	92.3	Very high	95 Å²	95	64.8 Å²	64.8	66%	0.664	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	14.4	-177.4	-54.8	0	0	0	0	112.7	Q1210 Q1211 Q1212	Q1210-S1214 PolarHBondContact O-N 3.41Å; Q1210-S1214 PolarHBondContact O-OG 2.97Å; Q1211-S1214 PolarHBondContact O-N 3.28Å; Q1212-S1214 PolarHBondContact O-N 3.09Å; Q1212-S1214 VanDerWaalsContact O-N 3.12Å
1215	K	77.2	Confident	91.9	Very high	210 Å²	210	65.6 Å²	65.6	91%	0.913	32%	0.321	S	S	*	.			trans	-115.4	0	177.3	-63.4	174.3	-172.4	172.8	0	110.4	Q1212	Q1212-K1215 PolarHBondContact O-N 2.74Å

Retrieved 1,215 of 1,215 residues in 862.5 ms (Link to these results)

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