A0A096NHV6_PAPAN Loading...

Zinc finger protein 629

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NHV6, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF629, Length 872 aa.

						>A0A096NHV6_PAPAN|A0A096NHV6|ZNF629
MEPETALWGPDLQGPEQSPNDAHRGAESENEEESPRQESSGEEIIMGDPAQSPESKDSIEMSLERPSQDPSVTQNPPTPLAHSNLLDHQTPLDPPAPEVVPTPSDWTKACEASWQWGALTTWNSPPVVPANEPSLRELVQGRPAGAEKPYICNECGKSFSQWSKLLRHQRIHTGERPNTCSECGKSFTQSSHLVQHQRTHTGEKPYKCPDCGKCFSWSSNLVQHQRTHTGEKPYKCTECEKAFTQSTNLIKHQRSHTGEKPYKCGECRRAFYRSSDLIQHQATHTGEKPYKCPECGKRFGQNHNLLKHQKIHAGEKPYRCTECGKSFIQSSELTQHQRTHTGEKPYECLECGKSFGHSSTLIKHQRTHLREDPFKCPVCGKTFTLSATLLRHQRTHTGERPYKCPECGKSFSVSSNLINHQRIHRGERPYICADCGKSFIMSSTLIRHQRIHTGEKPYKCSDCGKSFIRSSHLIQHRRTHTGEKPYKCPECGKSFSQSSNLITHVRTHMDENLFVCSDCGKAFLEAHELEQHRVIHERGKTPARRAQGDALLGLGDPSLLTPPPGAKPHKCLVCGKGFNDEGIFMQHQRIHIGENPYKNADGLIAHPAPKPPQLRSPRLPFRGNSYPGAAEGRADAPGQPLKPPEGQEGFSQRRGLLSSKTYICSHCGESFLDRSVLLQHQLTHGNEKPFLFPDYRIGLGEGAGPSPFLSGKPFKCPECKQSFGLSSELLLHQKVHAGGKSSQKSTELGKSSSVLLEHLRSPLGARPYSCSDCGASFLDRVALTRHQETHTQEKSPSPEDPPPEAATLSTGQEGEGEAPTPMGSSSHGEGEEGESPKTRVEEKPYLCPECGDGFTEVAALLLHRSCHPGVSL
					

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	37.4	Very low	33.7	Very low	247 Å²	247	148.5 Å²	148.5	100%	1.217	81%	0.814	S	S	*	*				0	114.3	0	-77.4	169	167.2	0	0	107.2
2	E	29	Very low	33.4	Very low	180 Å²	180	148.2 Å²	148.2	84%	0.841	81%	0.809	S	S	*	*			trans	-72.3	-177.9	154.6	-70.3	-164.7	129.6	0	0	108.8
3	P	51.4	Low	33.2	Very low	94 Å²	94	150 Å²	150	61%	0.61	81%	0.809	S	S	*	*			cis	-132.8	-156.7	10.4	44.3	-24.6	0	0	0	112.8
4	E	33.2	Very low	32.6	Very low	161 Å²	161	144 Å²	144	75%	0.752	80%	0.8	S	S	*	*			cis	-156.9	117.7	5.4	-132.6	131	-126.8	0	0	105.8
5	T	31.8	Very low	33.4	Very low	110 Å²	110	142.9 Å²	142.9	68%	0.675	80%	0.801	S	S	*	*				58.6	117.6	83.8	67.2	0	0	0	0	119.1
6	A	31.5	Very low	33	Very low	93 Å²	93	144.6 Å²	144.6	77%	0.769	80%	0.801	S	S	*	*			trans	-162	99.8	146.9	0	0	0	0	0	108.6
7	L	28.1	Very low	32.7	Very low	145 Å²	145	147.1 Å²	147.1	76%	0.759	81%	0.805	S	S	*	*				59.3	99.8	87.5	-75.5	125.2	0	0	0	113.4
8	W	28.5	Very low	32.5	Very low	257 Å²	257	145.3 Å²	145.3	97%	0.973	81%	0.805	S	S	*	*				79.4	128.7	72.6	-80.4	50.6	0	0	0	114.5
9	G	25.8	Very low	33.2	Very low	73 Å²	73	143.6 Å²	143.6	75%	0.753	80%	0.802	S	S	*	*			trans	165.2	132.6	160	0	0	0	0	0	116
10	P	45.5	Very low	32.9	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	81%	0.805	S	S	*	*			trans	-107.8	-164	-160.6	43.3	-39.5	0	0	0	117.5
11	D	28.7	Very low	32.6	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	80%	0.803	S	S	*	*			trans	-41.6	160.6	-172.3	-59.3	-98.5	0	0	0	120.7
12	L	30.6	Very low	32.1	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	77%	0.774	S	S	*	*				-177.7	145.9	118.4	-93.2	179	0	0	0	114.5
13	Q	30.3	Very low	32.2	Very low	172 Å²	172	136 Å²	136	80%	0.804	77%	0.772	S	S	*	*			trans	46.8	144.6	161.3	-91.3	100	37.6	0	0	124
14	G	25.3	Very low	31.2	Very low	66 Å²	66	141.9 Å²	141.9	68%	0.68	78%	0.782	S	S	*	*			trans	-103.7	-154.7	161.5	0	0	0	0	0	112.4
15	P	44	Very low	30.8	Very low	127 Å²	127	137.6 Å²	137.6	83%	0.825	78%	0.782	S	S	*	*			cis	-140.9	-158.6	23.6	36.9	-12.7	0	0	0	115.7
16	E	27.6	Very low	30.6	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	79%	0.791	S	S	*	*			trans	73.2	103.4	166.2	-51.6	-147.6	133.6	0	0	120.7
17	Q	28.2	Very low	30.3	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	80%	0.798	S	S	*	*				174.4	168.1	105.2	-89.6	-177.2	21.3	0	0	111.3
18	S	28.6	Very low	30.3	Very low	115 Å²	115	140.6 Å²	140.6	80%	0.804	80%	0.798	S	S	*	*			trans	-158.7	167.4	-172.4	-75.1	0	0	0	0	110.9
19	P	46.4	Very low	30.3	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	79%	0.788	S	S	*	*			cis	-127.9	-176.1	-24.9	37.8	-22	0	0	0	112.1
20	N	27.1	Very low	30.2	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	79%	0.793	S	S	*	*			trans	-162.4	161	150	-106.4	-27.5	0	0	0	114.8
21	D	26.3	Very low	29.4	Very low	145 Å²	145	143 Å²	143	78%	0.775	80%	0.795	S	S	*	*			trans	-63.8	131.1	-156.5	-78	-59.6	0	0	0	121.6
22	A	27.1	Very low	29.3	Very low	72 Å²	72	143.8 Å²	143.8	60%	0.595	79%	0.794	S	S	*	*				45.2	147.1	111.9	0	0	0	0	0	125
23	H	30.9	Very low	29.2	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.815	80%	0.795	S	S	*	*			trans	73.2	153.2	153.9	-72.7	-27.5	0	0	0	118.7
24	R	29.7	Very low	29	Very low	218 Å²	218	141.7 Å²	141.7	82%	0.823	79%	0.792	S	S	*	*			cis	-155.7	148.7	-4.9	143.2	-174.4	-72.5	-174.7	-1.4	109.7
25	G	25.8	Very low	29.2	Very low	71 Å²	71	143.3 Å²	143.3	73%	0.732	79%	0.79	S	S	*	*			trans	-78.3	152	169.2	0	0	0	0	0	113.7
26	A	25.9	Very low	28.4	Very low	106 Å²	106	145.7 Å²	145.7	88%	0.876	78%	0.783	S	S	*	*			trans	-104	126.9	-173.2	0	0	0	0	0	113.6
27	E	26.6	Very low	28.3	Very low	195 Å²	195	146.8 Å²	146.8	91%	0.911	79%	0.788	S	S	*	*			trans	-104.5	160	167	-70.8	-163	124.5	0	0	111.7
28	S	27.6	Very low	28.1	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	79%	0.79	S	S	*	*			trans	-94.7	121.8	-174.5	59.3	0	0	0	0	113.4
29	E	27.6	Very low	27.9	Very low	162 Å²	162	147.4 Å²	147.4	76%	0.757	79%	0.791	S	S	*	*			trans	-84.9	140.7	171.6	-63.6	-172.6	124.9	0	0	112.3
30	N	25	Very low	26.9	Very low	159 Å²	159	148 Å²	148	85%	0.85	80%	0.798	S	S	*	*			trans	-126.7	120.9	164.5	-83.9	-80	0	0	0	107
31	E	28.6	Very low	26.8	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	79%	0.789	S	S	*	*			trans	-95.2	133.9	174.8	-63.1	-146.7	104	0	0	111.8
32	E	27.1	Very low	26.8	Very low	165 Å²	165	145.9 Å²	145.9	77%	0.771	80%	0.796	S	S	*	*			trans	-99.7	110.5	156.7	-88.9	-162.4	129.4	0	0	107.9
33	E	27.6	Very low	26.7	Very low	168 Å²	168	150.9 Å²	150.9	79%	0.785	81%	0.807	S	S	*	*			trans	-70.2	151.4	173.1	-152	-164.3	126.7	0	0	110.8
34	S	25.7	Very low	26.4	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	81%	0.81	S	S	*	*			trans	-148.4	142.4	170.4	-83	0	0	0	0	111.2
35	P	30.3	Very low	26.3	Very low	101 Å²	101	146.5 Å²	146.5	66%	0.656	80%	0.803	S	S	*	*			trans	-80	157.5	-148.9	30.9	-37.8	0	0	0	114
36	R	25.9	Very low	26.3	Very low	176 Å²	176	151.9 Å²	151.9	66%	0.664	81%	0.811	S	S	*	*			trans	-116.2	159.5	159.5	-68.4	-170.8	178.4	-176.5	4	110.4
37	Q	26.1	Very low	26.3	Very low	194 Å²	194	150.3 Å²	150.3	91%	0.907	81%	0.805	S	S	*	*			trans	-97.6	143.5	176.9	-62.3	165.1	-102.1	0	0	108.5
38	E	24.5	Very low	26.2	Very low	198 Å²	198	148.8 Å²	148.8	93%	0.925	80%	0.803	S	S	*	*			trans	-86.8	160.3	172.1	-66.1	171.3	131	0	0	111
39	S	23.9	Very low	26.5	Very low	117 Å²	117	149.6 Å²	149.6	82%	0.818	81%	0.806	S	S	*	*			trans	-140.9	134.8	168.7	56.7	0	0	0	0	108.9
40	S	26.1	Very low	26.5	Very low	125 Å²	125	146.2 Å²	146.2	87%	0.874	81%	0.805	S	S	*	*			trans	-61	154.9	-167.3	51.7	0	0	0	0	117.5
41	G	24.2	Very low	26.5	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	81%	0.809	S	S	*	*			trans	102.4	143.5	159.8	0	0	0	0	0	114.3
42	E	26.1	Very low	26.3	Very low	197 Å²	197	144.5 Å²	144.5	92%	0.921	80%	0.804	S	S	*	*			cis	-167.7	151.4	-12.4	-129.9	164.9	161.8	0	0	107
43	E	25.3	Very low	27	Very low	176 Å²	176	141.4 Å²	141.4	82%	0.822	80%	0.799	S	S	*	*			trans	-85.3	139.8	-176.6	-66.3	-173.1	130.5	0	0	112.9
44	I	25.3	Very low	26.9	Very low	170 Å²	170	141.5 Å²	141.5	87%	0.872	80%	0.799	S	S	*	*			trans	-136.5	133.8	163	-58.8	-178.2	0	0	0	108.2
45	I	27.2	Very low	26.9	Very low	132 Å²	132	140.5 Å²	140.5	68%	0.677	79%	0.792	S	S	*	*			trans	-117.2	163.2	-172.5	-63.1	175	0	0	0	110
46	M	25.5	Very low	26.8	Very low	185 Å²	185	143.9 Å²	143.9	91%	0.911	80%	0.796	S	S	*	*			trans	88.9	134.5	177.2	-50.4	-174.5	-64.3	0	0	115
47	G	25.7	Very low	26.8	Very low	72 Å²	72	141.3 Å²	141.3	74%	0.742	80%	0.795	S	S	*	*			cis	178.6	161.4	-6.1	0	0	0	0	0	112.8
48	D	25	Very low	26.8	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	79%	0.785	S	S	*	*			trans	-68.6	158.9	176.3	-74.2	-61.3	0	0	0	113.2
49	P	33	Very low	26.9	Very low	128 Å²	128	134.4 Å²	134.4	83%	0.831	78%	0.777	S	S	*	*				-131.3	138.2	119.8	36.2	-28.9	0	0	0	113.2
50	A	28.6	Very low	27.2	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	77%	0.773	S	S	*	*			trans	-88.8	152.2	177.9	0	0	0	0	0	113
51	Q	24.4	Very low	27.4	Very low	199 Å²	199	137.3 Å²	137.3	93%	0.93	77%	0.766	S	S	*	*			trans	-155.3	125.3	155	-126.1	159.6	79.9	0	0	112.5
52	S	23.7	Very low	27.8	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	76%	0.763	S	S	*	*			trans	-94.7	-168	166.1	-54.3	0	0	0	0	107.8
53	P	42.1	Very low	28.1	Very low	100 Å²	100	135.5 Å²	135.5	65%	0.649	75%	0.753	S	S	*	*			cis	-151.1	-163.4	10.6	47.5	-26.2	0	0	0	117.5
54	E	25.3	Very low	28.1	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	75%	0.747	S	S	*	*			trans	69.4	149.8	151.5	-71.4	-177.2	135	0	0	121
55	S	26.3	Very low	28.4	Very low	82 Å²	82	135.7 Å²	135.7	57%	0.573	74%	0.742	S	S	*	*			cis	-169.9	170.3	-22.2	61.1	0	0	0	0	112.8
56	K	27.6	Very low	29.6	Very low	173 Å²	173	134.8 Å²	134.8	75%	0.752	74%	0.744	S	S	*	*			trans	74.3	153.5	150.4	-76.5	167.9	179.3	172.2	0	119.6
57	D	25.8	Very low	29.8	Very low	121 Å²	121	130 Å²	130	65%	0.647	73%	0.729	S	S	*	*			cis	-152.9	152.4	2.9	-130.6	-42.3	0	0	0	115.2
58	S	27.8	Very low	30	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	73%	0.734	S	S	*	*			trans	42.7	159.1	148.3	-61.3	0	0	0	0	122.2
59	I	26.3	Very low	30.2	Very low	148 Å²	148	134.2 Å²	134.2	76%	0.759	73%	0.729	S	S	*	*			cis	-148.2	127.5	34.8	-72.2	174.3	0	0	0	107.7
60	E	30.6	Very low	31.2	Very low	155 Å²	155	133.1 Å²	133.1	72%	0.724	72%	0.722	S	S	*	*				60.5	151.1	90.1	-81.8	-160.5	139.3	0	0	116.7
61	M	29	Very low	31.3	Very low	149 Å²	149	133.3 Å²	133.3	73%	0.734	72%	0.718	S	S	*	*			cis	-161.7	-178.7	7.1	-119.2	-144.1	-164.7	0	0	107.1
62	S	32.1	Very low	31.7	Very low	87 Å²	87	129.8 Å²	129.8	61%	0.608	71%	0.709	S	S	*	*			cis	-178	170	-21.3	-108.8	0	0	0	0	107.7
63	L	33.6	Very low	31.8	Very low	137 Å²	137	129.7 Å²	129.7	72%	0.717	71%	0.705	S	S	*	*			cis	-130	-106	-7.9	-143.3	175.8	0	0	0	112
64	E	24.9	Very low	31.1	Very low	148 Å²	148	133.4 Å²	133.4	69%	0.692	71%	0.713	S	S	*	*			cis	-144.6	-169.8	-9.4	-132.4	-38.1	94.4	0	0	110.7
65	R	31.7	Very low	31.1	Very low	202 Å²	202	132.9 Å²	132.9	76%	0.762	72%	0.716	S	S	*	*			trans	-152.2	-167.3	-152.4	-108.8	-167.9	170.4	-174.3	-0.7	116.2
66	P	52.6	Low	32.5	Very low	113 Å²	113	134.5 Å²	134.5	73%	0.734	73%	0.725	S	S	*	*			cis	-115.7	-162.3	-5.3	45.5	-32.2	0	0	0	112.1
67	S	30.5	Very low	33.4	Very low	85 Å²	85	132.2 Å²	132.2	59%	0.594	73%	0.727	S	S	*	*			cis	-162.3	176.9	-3.5	-137	0	0	0	0	107.8
68	Q	29.9	Very low	33.6	Very low	181 Å²	181	132.5 Å²	132.5	85%	0.846	73%	0.733	S	S	*	*			cis	-156.7	-157	-1.7	-147.5	155.3	-72.2	0	0	110.4
69	D	28.3	Very low	34	Very low	142 Å²	142	133 Å²	133	76%	0.759	73%	0.734	S	S	*	*			trans	-152	171.7	-178.3	-159.3	47.6	0	0	0	107.7
70	P	54.7	Low	34	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	74%	0.739	S	S	*	*			cis	-132.7	-155.1	12.2	48	-28.6	0	0	0	113.7
71	S	30.4	Very low	33.7	Very low	93 Å²	93	131.2 Å²	131.2	65%	0.65	74%	0.744	S	S	*	*			cis	-159.9	145	6.1	54.5	0	0	0	0	115.1
72	V	32.1	Very low	33.5	Very low	125 Å²	125	132.6 Å²	132.6	76%	0.758	75%	0.749	S	S	*	*				32	137.7	123.8	-156.3	0	0	0	0	119.1
73	T	26.3	Very low	33.2	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	76%	0.758	S	S	*	*				179.9	141.2	76.6	-42.2	0	0	0	0	116.1
74	Q	28.1	Very low	32.9	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	76%	0.761	S	S	*	*			trans	73.3	157.3	149.8	-88.8	165.6	42.6	0	0	124.8
75	N	25.5	Very low	32.9	Very low	158 Å²	158	133.6 Å²	133.6	85%	0.845	76%	0.761	S	S	*	*			trans	-127.8	-146.3	-156.3	-59.5	-66.2	0	0	0	115
76	P	55.9	Low	32.8	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	76%	0.76	S	S	*	*				-119.3	-169.2	-127.5	42.2	-20.4	0	0	0	114.2
77	P	44.6	Very low	31.6	Very low	124 Å²	124	130.7 Å²	130.7	81%	0.805	75%	0.754	S	S	*	*				-153.2	178.9	83.8	41.1	-21.5	0	0	0	116.5
78	T	30	Very low	31.6	Very low	127 Å²	127	133 Å²	133	78%	0.779	76%	0.755	S	S	*	*			trans	-85.3	160.1	165.8	-19.8	0	0	0	0	111.3
79	P	36.7	Very low	31.5	Very low	110 Å²	110	131.8 Å²	131.8	71%	0.714	75%	0.749	S	S	*	*				-152.9	157.5	98.7	39.1	-21.4	0	0	0	118
80	L	26.3	Very low	31.7	Very low	165 Å²	165	131 Å²	131	86%	0.864	75%	0.75	S	S	*	*			trans	26.7	126.6	140.5	-54.9	169.1	0	0	0	121.2
81	A	23.8	Very low	31	Very low	100 Å²	100	131 Å²	131	83%	0.826	75%	0.75	S	S	*	*				178.5	151.8	106.7	0	0	0	0	0	115.1
82	H	26.5	Very low	30.8	Very low	179 Å²	179	133.8 Å²	133.8	83%	0.829	76%	0.756	S	S	*	*			trans	-58.6	145	179.8	-60.2	-115.3	0	0	0	116.4
83	S	25.3	Very low	30.6	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	76%	0.756	S	S	*	*				164.7	142.7	106.6	-72	0	0	0	0	117.2
84	N	27.1	Very low	31.5	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	76%	0.757	S	S	*	*			trans	-36.8	167.9	151.1	-65.4	-28.2	0	0	0	116.5
85	L	25.2	Very low	31.6	Very low	134 Å²	134	131.8 Å²	131.8	70%	0.702	76%	0.756	S	S	*	*			cis	-172.7	146.1	-10.7	-104.8	166.4	0	0	0	107.9
86	L	29.2	Very low	31.8	Very low	140 Å²	140	128.9 Å²	128.9	73%	0.733	75%	0.754	S	S	*	*			trans	62.8	164.2	158.1	-60.4	165.3	0	0	0	116.2
87	D	26.8	Very low	30.7	Very low	113 Å²	113	129.1 Å²	129.1	60%	0.604	76%	0.755	S	S	*	*			cis	-153.5	171.8	-3.6	-133.7	-32.4	0	0	0	114
88	H	30.1	Very low	29.9	Very low	134 Å²	134	132.6 Å²	132.6	62%	0.62	76%	0.761	S	S	*	*			trans	44.5	116.2	152.9	-72.9	-65.2	0	0	0	125.2
89	Q	28.7	Very low	29.9	Very low	155 Å²	155	133.1 Å²	133.1	72%	0.724	76%	0.763	S	S	*	*				78.9	104.8	124.6	-69.8	164.8	-10.3	0	0	124.7
90	T	31.8	Very low	29.7	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	76%	0.764	S	S	*	*				4.9	149.4	123.5	49.5	0	0	0	0	120.2
91	P	40.8	Very low	29.9	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	76%	0.759	S	S	*	*				-160.2	-179	60.5	46.5	-26	0	0	0	120.8
92	L	26.4	Very low	30.3	Very low	150 Å²	150	131.3 Å²	131.3	79%	0.785	75%	0.749	S	S	*	*			trans	70.6	138.9	163.2	-60	173.2	0	0	0	118.5
93	D	28.3	Very low	30.9	Very low	142 Å²	142	127.9 Å²	127.9	76%	0.759	74%	0.743	S	S	*	*			cis	-158.6	-174.8	-17.7	-128.9	10.5	0	0	0	110.9
94	P	43.7	Very low	31.3	Very low	105 Å²	105	126.4 Å²	126.4	68%	0.682	73%	0.732	S	S	*	*			trans	-97.8	177.5	-145.3	41.1	-43.1	0	0	0	118
95	P	31.4	Very low	31.6	Very low	123 Å²	123	125.6 Å²	125.6	80%	0.799	73%	0.728	S	S	*	*				-141.9	141.8	118.4	37.9	-25.6	0	0	0	117.2
96	A	30.2	Very low	32	Very low	97 Å²	97	128.9 Å²	128.9	80%	0.802	73%	0.731	S	S	*	*			trans	53.6	150.9	145.7	0	0	0	0	0	122.8
97	P	31.4	Very low	32.2	Very low	121 Å²	121	127.3 Å²	127.3	79%	0.786	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-102.1	149.5	-171.9	38.8	-33.8	0	0	0	115.4
98	E	27.8	Very low	32.7	Very low	198 Å²	198	130 Å²	130	93%	0.925	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-81.2	161.2	164.9	-73.4	-159.5	124.1	0	0	113.2
99	V	31.2	Very low	32.9	Very low	138 Å²	138	127.4 Å²	127.4	84%	0.836	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-95.7	133	-161.1	177.5	0	0	0	0	112.8
100	V	31	Very low	33	Very low	119 Å²	119	125 Å²	125	72%	0.721	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-76.9	129.8	173.5	-175.4	0	0	0	0	110.5
101	P	30.5	Very low	32.8	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-61.6	146.2	174.8	-23.4	34.2	0	0	0	113
102	T	32	Very low	32.5	Very low	101 Å²	101	126 Å²	126	62%	0.62	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-95.2	156.3	-176.3	57.9	0	0	0	0	112.9	S104	T102-S104 PolarHBondContact O-N 3.21Å
103	P	39.3	Very low	32.8	Very low	107 Å²	107	123 Å²	123	70%	0.695	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	17.6	-161.9	-18.2	34.4	0	0	0	117.4
104	S	34.9	Very low	32.9	Very low	82 Å²	82	127.9 Å²	127.9	57%	0.573	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-18.1	-158.3	-59	0	0	0	0	116.2	T102 T107	T102-S104 PolarHBondContact O-N 3.21Å; S104-T107 PolarHBondContact O-OG1 2.96Å
105	D	33.6	Very low	32.1	Very low	128 Å²	128	132.2 Å²	132.2	68%	0.684	75%	0.747	S	S	*	*	S	Bend	trans	-94.3	-14.7	-169	-66.7	-60.3	0	0	0	115.2	T107	D105-T107 VanDerWaalsContact C-N 3.29Å; D105-T107 PolarHBondContact O-N 3.4Å
106	W	32.3	Very low	32.2	Very low	204 Å²	204	138.2 Å²	138.2	77%	0.773	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-72.3	-15.6	-177.6	-77.4	-64.8	0	0	0	114.9	K108	W106-K108 PolarHBondContact O-N 3.25Å
107	T	34.8	Very low	32	Very low	106 Å²	106	136.6 Å²	136.6	65%	0.65	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-70.5	-26	-179.8	32.8	0	0	0	0	113.9	S104 D105 A109	S104-T107 PolarHBondContact O-OG1 2.96Å; D105-T107 VanDerWaalsContact C-N 3.29Å; D105-T107 PolarHBondContact O-N 3.4Å; T107-A109 VanDerWaalsContact C-N 3.32Å; T107-A109 PolarHBondContact O-N 3.47Å
108	K	36.8	Very low	32	Very low	171 Å²	171	135.4 Å²	135.4	74%	0.743	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-78.9	-8.3	-178.7	-73.6	-178.5	176.2	174.3	0	114.9	W106	W106-K108 PolarHBondContact O-N 3.25Å
109	A	32.9	Very low	32	Very low	78 Å²	78	133.5 Å²	133.5	65%	0.645	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-89.2	-8.5	-177.5	0	0	0	0	0	114.4	T107	T107-A109 VanDerWaalsContact C-N 3.32Å; T107-A109 PolarHBondContact O-N 3.47Å
110	C	31.3	Very low	31.8	Very low	105 Å²	105	132.1 Å²	132.1	71%	0.709	73%	0.734	S	S	*	*	S	Bend	trans	-108.1	2.7	-177	-69.1	0	0	0	0	114.7
111	E	28.6	Very low	31.9	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.762	74%	0.737	S	S	*	*	S	Bend	trans	-94.9	-10.3	-179.8	-62.5	-178.1	135.7	0	0	113.1	S113	E111-S113 PolarHBondContact O-N 3.29Å
112	A	33.3	Very low	31.6	Very low	92 Å²	92	139 Å²	139	76%	0.76	75%	0.747	S	S	*	*	S	Bend	trans	-77.6	1.1	-178.8	0	0	0	0	0	114.7
113	S	33.9	Very low	31.5	Very low	85 Å²	85	142 Å²	142	59%	0.594	76%	0.759	S	S	*	*	S	Bend	trans	-158.4	133.1	166.7	-68.8	0	0	0	0	105.4	E111	E111-S113 PolarHBondContact O-N 3.29Å
114	W	29	Very low	30.9	Very low	245 Å²	245	142 Å²	142	93%	0.928	76%	0.762	S	S	*	*			cis	-123.8	145.1	24.4	-64.9	40.8	0	0	0	111.3
115	Q	28.4	Very low	30.9	Very low	196 Å²	196	143.3 Å²	143.3	92%	0.916	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-83.6	129.8	171.3	-69.8	179.2	-28.6	0	0	111
116	W	32.8	Very low	30.7	Very low	249 Å²	249	142.8 Å²	142.8	94%	0.943	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-94.6	116.8	161	-103	89.1	0	0	0	109.6
117	G	26.8	Very low	30.7	Very low	63 Å²	63	139.6 Å²	139.6	65%	0.649	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.3	139.2	165.2	0	0	0	0	0	110.1
118	A	30.8	Very low	30.5	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-78.1	139.5	-173.3	0	0	0	0	0	112.8
119	L	27	Very low	30.2	Very low	159 Å²	159	137.6 Å²	137.6	83%	0.832	78%	0.778	S	S	*	*			trans	-148.6	125.8	139.2	-138.6	79.6	0	0	0	111.9
120	T	26.7	Very low	30.1	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.663	79%	0.785	S	S	*	*			trans	49.1	81.1	154.9	50.8	0	0	0	0	120.4
121	T	33.1	Very low	30	Very low	128 Å²	128	141.5 Å²	141.5	79%	0.785	79%	0.794	S	S	*	*				35.4	96.3	115.7	58.6	0	0	0	0	119.3
122	W	25.4	Very low	30.1	Very low	254 Å²	254	139 Å²	139	96%	0.962	78%	0.783	S	S	*	*			trans	-134.5	80.1	146.8	-95	82.2	0	0	0	110
123	N	28.9	Very low	30.3	Very low	163 Å²	163	140.1 Å²	140.1	87%	0.872	78%	0.782	S	S	*	*			trans	-140.8	93.8	170	-124.8	-17.8	0	0	0	108.9
124	S	27.4	Very low	30.2	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	79%	0.791	S	S	*	*			trans	-143.5	127	165.1	-73.1	0	0	0	0	106.5
125	P	35.8	Very low	30.5	Very low	108 Å²	108	137 Å²	137	70%	0.701	79%	0.785	S	S	*	*			trans	-65	144.9	177.9	28.7	-34.1	0	0	0	109.3	V127	P125-V127 PolarHBondContact O-N 3.15Å
126	P	28.8	Very low	31	Very low	118 Å²	118	138.1 Å²	138.1	77%	0.766	78%	0.781	S	S	*	*			trans	-63.7	109	174.7	25.9	-33	0	0	0	109.5	V128	P126-V128 PolarHBondContact O-N 2.68Å; P126-V128 VanDerWaalsContact O-N 3.09Å
127	V	32.8	Very low	31	Very low	136 Å²	136	134.4 Å²	134.4	82%	0.824	77%	0.774	S	S	*	*			trans	-69.9	101.9	169.6	177.1	0	0	0	0	107.5	P125	P125-V127 PolarHBondContact O-N 3.15Å
128	V	29.9	Very low	31.4	Very low	122 Å²	122	137.7 Å²	137.7	74%	0.739	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-94.1	125.4	167.9	-175.4	0	0	0	0	107	P126	P126-V128 PolarHBondContact O-N 2.68Å; P126-V128 VanDerWaalsContact O-N 3.09Å
129	P	29.8	Very low	32.1	Very low	113 Å²	113	140 Å²	140	73%	0.734	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67	148.8	-172.3	26.7	-35	0	0	0	112.3	N131	P129-N131 PolarHBondContact O-N 2.89Å
130	A	32.5	Very low	32.6	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-71.5	121.2	175.5	0	0	0	0	0	110.9
131	N	28.4	Very low	32.9	Very low	169 Å²	169	138.8 Å²	138.8	90%	0.904	78%	0.783	S	S	*	*			trans	-149.5	68.1	158.6	-103.8	-16.3	0	0	0	109.2	P129	P129-N131 PolarHBondContact O-N 2.89Å
132	E	29.6	Very low	33.2	Very low	111 Å²	111	144 Å²	144	52%	0.519	79%	0.789	S	S	.	*			trans	-80.5	144.8	148	-110.3	-116.8	101	0	0	106.7	S134 L135	E132-S134 PolarHBondContact OE1-N 3.12Å; E132-L135 PolarHBondContact OE1-N 2.86Å; E132-L135 VanDerWaalsContact OE1-N 3.07Å
133	P	39.2	Very low	33.8	Very low	116 Å²	116	137.4 Å²	137.4	75%	0.753	78%	0.778	S	S	*	*				-142.4	132.2	61.7	35.8	-17.9	0	0	0	116.3
134	S	31.8	Very low	34.7	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	78%	0.776	S	S	*	*	S	Bend	trans	-175.8	84.8	134.8	-81.4	0	0	0	0	111.1	E132	E132-S134 PolarHBondContact OE1-N 3.12Å
135	L	35.2	Very low	35.7	Very low	154 Å²	154	132.6 Å²	132.6	81%	0.806	78%	0.775	S	S	*	*			trans	-167.4	69.9	133.1	-102.4	165.2	0	0	0	112.1	E132	E132-L135 PolarHBondContact OE1-N 2.86Å; E132-L135 VanDerWaalsContact OE1-N 3.07Å
136	R	37.3	Very low	36.3	Very low	219 Å²	219	131 Å²	131	83%	0.826	77%	0.771	S	S	*	*			trans	-115.4	147.4	154.4	-62.4	-176.3	-168.9	-122.3	-0.4	107.5
137	E	34.6	Very low	37.8	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.804	77%	0.771	S	S	*	*			trans	65.7	140	-154.5	-46.2	-163.4	132.4	0	0	111.8
138	L	34.7	Very low	38.9	Very low	131 Å²	131	132.1 Å²	132.1	69%	0.686	76%	0.755	S	S	*	*			cis	-114.5	121.5	12.5	-178.5	64.4	0	0	0	112.5	Q140	L138-Q140 HydrophobicContact CD1-CB 4.48Å; L138-Q140 HydrophobicContact CD1-CG 4.35Å; L138-Q140 HydrophobicContact CD2-CB 4.48Å; L138-Q140 HydrophobicContact CG-CB 4.23Å; L138-Q140 PolarHBondContact O-N 2.78Å
139	V	44.2	Very low	40.8	Very low	146 Å²	146	130.1 Å²	130.1	89%	0.885	74%	0.744	S	S	*	*			trans	-93.1	90.3	165.3	177.9	0	0	0	0	108.9
140	Q	38.5	Very low	42.7	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	73%	0.727	S	S	*	*			trans	-143.6	141.4	164.5	-87.7	176.3	35.2	0	0	109.8	L138	L138-Q140 HydrophobicContact CD1-CB 4.48Å; L138-Q140 HydrophobicContact CD1-CG 4.35Å; L138-Q140 HydrophobicContact CD2-CB 4.48Å; L138-Q140 HydrophobicContact CG-CB 4.23Å; L138-Q140 PolarHBondContact O-N 2.78Å
141	G	32.4	Very low	44.5	Very low	78 Å²	78	129 Å²	129	80%	0.804	71%	0.712	S	S	*	*			trans	80.7	83.2	177.8	0	0	0	0	0	115.1	P143	G141-P143 WeakPolarHBondContact O-CD 3.49Å
142	R	39.3	Very low	46.9	Very low	238 Å²	238	121 Å²	121	90%	0.898	67%	0.669	S	S	*	*			trans	-107.4	101.1	166.6	-174.6	-165.5	-167.9	-160.5	6.7	110.9
143	P	38.4	Very low	48.9	Very low	115 Å²	115	123.1 Å²	123.1	75%	0.747	68%	0.684	S	S	*	*			trans	-78.6	123.2	160.2	-6.3	24.2	0	0	0	109.3	G141 G145	G141-P143 WeakPolarHBondContact O-CD 3.49Å; P143-G145 PolarHBondContact O-N 2.75Å
144	A	47.7	Very low	50.3	Low	100 Å²	100	123.2 Å²	123.2	83%	0.826	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	116.2	163.8	0	0	0	0	0	108.5
145	G	48.7	Very low	52.3	Low	70 Å²	70	120.2 Å²	120.2	72%	0.722	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.7	-21.3	178.7	0	0	0	0	0	116.4	P143 E147	P143-G145 PolarHBondContact O-N 2.75Å; G145-E147 PolarHBondContact O-N 3.08Å
146	A	49.1	Very low	53.9	Low	75 Å²	75	115.6 Å²	115.6	62%	0.62	64%	0.642	S	S	*	*			trans	-87.1	79.5	-179.8	0	0	0	0	0	112.6	K148	A146-K148 PolarHBondContact O-N 2.89Å
147	E	59	Low	55.7	Low	163 Å²	163	110.7 Å²	110.7	76%	0.762	63%	0.627	S	S	*	*	S	Bend	trans	-61.3	-16	-179.8	-65.5	-163.5	144.7	0	0	114.9	G145 S160	G145-E147 PolarHBondContact O-N 3.08Å; E147-S160 WeakPolarHBondContact O-CA 3.48Å; E147-S160 WeakPolarHBondContact O-CB 3.49Å
148	K	56.2	Low	57.5	Low	114 Å²	114	104.9 Å²	104.9	50%	0.496	61%	0.605	S	S	.	*			trans	-137.3	73.3	-174.5	-63.8	173.3	-174.3	167.1	0	112.2	A146 Y150 S158 F159	A146-K148 PolarHBondContact O-N 2.89Å; K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 3.21Å; K148-S158 WeakPolarHBondContact CB-OG 3.47Å; K148-S158 WeakPolarHBondContact CD-OG 3.43Å; K148-F159 CarbonylContact C-O 3.28Å; K148-F159 VanDerWaalsContact C-O 3.26Å; K148-F159 VanDerWaalsContact CA-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.15Å
149	P	69.4	Low	59.7	Low	79 Å²	79	100.7 Å²	100.7	51%	0.513	58%	0.582	S	S	.	*			trans	-67.3	-22.9	-174	-21.3	34.2	0	0	0	114.9
150	Y	70.7	Confident	61.3	Low	93 Å²	93	96.7 Å²	96.7	37%	0.365	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	102.9	-166.8	-56.4	-74.6	0	0	0	110.9	K148 S158 F159 Q161 W162	K148-Y150 VanDerWaalsContact C-N 3.28Å; K148-Y150 PolarHBondContact O-N 3.21Å; Y150-S158 CarbonylContact O-C 3.11Å; Y150-S158 WeakPolarHBondContact O-CA 3.13Å; Y150-F159 PolarHBondContact N-O 3.24Å; Y150-F159 VanDerWaalsContact N-O 3.07Å; Y150-F159 PolarHBondContact O-N 3.34Å; Y150-Q161 VanDerWaalsContact CD2-C 3.46Å; Y150-W162 HydrophobicContact CD1-CB 4.15Å; Y150-W162 HydrophobicContact CD1-CD2 4.48Å; Y150-W162 AromaticContact CD1-CE3 3.62Å; Y150-W162 HydrophobicContact CD1-CE3 3.62Å; Y150-W162 HydrophobicContact CD1-CZ3 4.42Å; Y150-W162 VanDerWaalsContact CD2-N 3.33Å; Y150-W162 HydrophobicContact CE1-CB 4Å; Y150-W162 HydrophobicContact CE1-CE3 4.13Å; Y150-W162 HydrophobicContact CE2-CB 4.46Å; Y150-W162 HydrophobicContact CG-CB 4.4Å; Y150-W162 HydrophobicContact CG-CE3 4.37Å
151	I	70.9	Confident	63.1	Low	93 Å²	93	93.4 Å²	93.4	48%	0.477	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.1	-175.8	-50.8	-177.4	0	0	0	110.7	N153 L165	I151-N153 PolarHBondContact O-N 2.81Å; I151-L165 WeakPolarHBondContact O-CD2 3.36Å
152	C	78.4	Confident	64.7	Low	1 Å²	1	96.7 Å²	96.7	1%	0.007	53%	0.533	C	S	.	.			trans	-82.9	107.8	170.1	-176.6	0	0	0	0	110.2	E154 C155 G156 K157 F159 L165 H172	C152-E154 PolarHBondContact O-N 3.34Å; C152-E154 VanDerWaalsContact O-N 3.17Å; C152-C155 PolarHBondContact O-N 3.21Å; C152-C155 VanDerWaalsContact O-N 3.15Å; C152-G156 WeakPolarHBondContact O-CA 3.02Å; C152-G156 PolarHBondContact O-N 2.81Å; C152-K157 PolarHBondContact N-O 3.08Å; C152-F159 HydrophobicContact CB-CE2 4.34Å; C152-L165 HydrophobicContact CB-CD1 3.46Å; C152-L165 VanDerWaalsContact CB-CD1 3.46Å; C152-H172 VanDerWaalsContact SG-CD2 3.59Å; C152-H172 PolarHBondContact SG-NE2 3.44Å; C152-H172 VanDerWaalsContact SG-NE2 3.37Å
153	N	71.8	Confident	66.4	Low	156 Å²	156	89 Å²	89	83%	0.834	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.2	-176.9	-63.5	-9.8	0	0	0	113.2	I151	I151-N153 PolarHBondContact O-N 2.81Å
154	E	67.2	Low	68.1	Low	117 Å²	117	87 Å²	87	55%	0.547	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.4	-179.2	-61.4	165.3	115.1	0	0	113.8	C152 H172	C152-E154 PolarHBondContact O-N 3.34Å; C152-E154 VanDerWaalsContact O-N 3.17Å; E154-H172 IonicContact OE2-CD2 3.61Å; E154-H172 PolarHBondContact OE2-CD2 2.79Å; E154-H172 IonicContact OE2-CG 3.38Å
155	C	73.9	Confident	69.5	Low	47 Å²	47	82.5 Å²	82.5	32%	0.318	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152	15.2	-178.5	79.2	0	0	0	0	116.1	C152 K157 H168 H172	C152-C155 PolarHBondContact O-N 3.21Å; C152-C155 VanDerWaalsContact O-N 3.15Å; C155-K157 PolarHBondContact O-N 3.29Å; C155-H168 PolarHBondContact SG-NE2 3.1Å; C155-H172 PolarHBondContact SG-NE2 2.86Å
156	G	69.9	Low	70.6	Confident	57 Å²	57	83 Å²	83	59%	0.588	44%	0.443	S	S	*	.			trans	66.1	4.2	175.9	0	0	0	0	0	116.7	C152 S158	C152-G156 WeakPolarHBondContact O-CA 3.02Å; C152-G156 PolarHBondContact O-N 2.81Å; G156-S158 PolarHBondContact O-N 2.82Å
157	K	74.9	Confident	71.9	Confident	116 Å²	116	84.5 Å²	84.5	50%	0.504	43%	0.433	S	S	.	.			trans	-78.2	124	-174.6	-72.2	174	-168.5	155.5	0	110.9	C152 C155 F159	C152-K157 PolarHBondContact N-O 3.08Å; C155-K157 PolarHBondContact O-N 3.29Å; K157-F159 HydrophobicContact CB-CE2 3.74Å; K157-F159 HydrophobicContact CB-CZ 3.95Å; K157-F159 WeakPolarHBondContact O-CD2 3.26Å; K157-F159 WeakPolarHBondContact O-CE2 3.36Å
158	S	72.3	Confident	72.6	Confident	51 Å²	51	77.7 Å²	77.7	36%	0.357	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.8	178.7	63.3	0	0	0	0	112.6	K148 Y150 G156	K148-S158 WeakPolarHBondContact CB-OG 3.47Å; K148-S158 WeakPolarHBondContact CD-OG 3.43Å; Y150-S158 CarbonylContact O-C 3.11Å; Y150-S158 WeakPolarHBondContact O-CA 3.13Å; G156-S158 PolarHBondContact O-N 2.82Å
159	F	80.4	Confident	73.3	Confident	42 Å²	42	75 Å²	75	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.7	-176.3	-61.4	-87.7	0	0	0	111.1	K148 Y150 C152 K157 Q161 K164 L165 H168	K148-F159 CarbonylContact C-O 3.28Å; K148-F159 VanDerWaalsContact C-O 3.26Å; K148-F159 VanDerWaalsContact CA-O 3.32Å; K148-F159 WeakPolarHBondContact CA-O 3.15Å; Y150-F159 PolarHBondContact N-O 3.24Å; Y150-F159 VanDerWaalsContact N-O 3.07Å; Y150-F159 PolarHBondContact O-N 3.34Å; C152-F159 HydrophobicContact CB-CE2 4.34Å; K157-F159 HydrophobicContact CB-CE2 3.74Å; K157-F159 HydrophobicContact CB-CZ 3.95Å; K157-F159 WeakPolarHBondContact O-CD2 3.26Å; K157-F159 WeakPolarHBondContact O-CE2 3.36Å; F159-Q161 VanDerWaalsContact C-N 3.3Å; F159-Q161 PolarHBondContact O-N 3.24Å; F159-K164 HydrophobicContact CB-CB 4.22Å; F159-K164 HydrophobicContact CD1-CB 3.93Å; F159-K164 HydrophobicContact CG-CB 4.35Å; F159-L165 HydrophobicContact CB-CB 4.32Å; F159-L165 HydrophobicContact CD2-CB 3.94Å; F159-L165 HydrophobicContact CD2-CD1 3.94Å; F159-L165 HydrophobicContact CE2-CD1 4.1Å; F159-L165 HydrophobicContact CG-CB 4.3Å; F159-H168 HydrophobicContact CE1-CB 4.18Å; F159-H168 HydrophobicContact CE2-CB 4.05Å; F159-H168 AromaticContact CE2-CD2 3.34Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.12Å; F159-H168 AromaticContact CE2-CG 3.88Å; F159-H168 HydrophobicContact CZ-CB 3.64Å; F159-H168 AromaticContact CZ-CD2 3.29Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.35Å; F159-H168 AromaticContact CZ-CG 3.43Å; F159-H168 VanDerWaalsContact CZ-CG 3.43Å
160	S	77.4	Confident	73.6	Confident	62 Å²	62	74.9 Å²	74.9	43%	0.434	38%	0.379	S	S	.	.	S	Bend	trans	-77.6	-10.8	178.3	56.2	0	0	0	0	114.5	E147	E147-S160 WeakPolarHBondContact O-CA 3.48Å; E147-S160 WeakPolarHBondContact O-CB 3.49Å
161	Q	77.2	Confident	73.5	Confident	95 Å²	95	75.9 Å²	75.9	44%	0.444	39%	0.39	S	S	.	.	S	Bend	trans	-145.5	136.5	-178.2	-66.8	172.4	-52	0	0	110.6	Y150 F159 S163 K164 L165	Y150-Q161 VanDerWaalsContact CD2-C 3.46Å; F159-Q161 VanDerWaalsContact C-N 3.3Å; F159-Q161 PolarHBondContact O-N 3.24Å; Q161-S163 VanDerWaalsContact C-N 3.28Å; Q161-S163 PolarHBondContact O-N 3.4Å; Q161-K164 HydrophobicContact CB-CD 4.24Å; Q161-K164 HydrophobicContact CB-CG 4.37Å; Q161-K164 WeakPolarHBondContact O-CB 3.21Å; Q161-K164 PolarHBondContact O-N 3.5Å; Q161-L165 PolarHBondContact O-N 3.16Å
162	W	66.3	Low	73.4	Confident	146 Å²	146	75 Å²	75	55%	0.553	38%	0.383	S	S	*	.	H	α-helix	trans	-53.4	-41.9	177.6	179.8	-110.3	0	0	0	112.8	Y150 K164 L165 L166	Y150-W162 HydrophobicContact CD1-CB 4.15Å; Y150-W162 HydrophobicContact CD1-CD2 4.48Å; Y150-W162 AromaticContact CD1-CE3 3.62Å; Y150-W162 HydrophobicContact CD1-CE3 3.62Å; Y150-W162 HydrophobicContact CD1-CZ3 4.42Å; Y150-W162 VanDerWaalsContact CD2-N 3.33Å; Y150-W162 HydrophobicContact CE1-CB 4Å; Y150-W162 HydrophobicContact CE1-CE3 4.13Å; Y150-W162 HydrophobicContact CE2-CB 4.46Å; Y150-W162 HydrophobicContact CG-CB 4.4Å; Y150-W162 HydrophobicContact CG-CE3 4.37Å; W162-K164 PolarHBondContact O-N 2.83Å; W162-K164 VanDerWaalsContact O-N 3.17Å; W162-L165 HydrophobicContact CE3-CD2 3.91Å; W162-L165 HydrophobicContact CZ3-CD2 3.77Å; W162-L165 WeakPolarHBondContact O-CA 3.33Å; W162-L165 WeakPolarHBondContact O-CB 3.32Å; W162-L165 PolarHBondContact O-N 2.8Å; W162-L166 PolarHBondContact O-N 3.4Å
163	S	74.2	Confident	72.9	Confident	76 Å²	76	78.8 Å²	78.8	53%	0.531	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-25.8	176.6	58.1	0	0	0	0	114	Q161 R167	Q161-S163 VanDerWaalsContact C-N 3.28Å; Q161-S163 PolarHBondContact O-N 3.4Å; S163-R167 WeakPolarHBondContact O-CB 3.5Å; S163-R167 PolarHBondContact O-N 3.03Å
164	K	74.9	Confident	72.6	Confident	75 Å²	75	73.7 Å²	73.7	33%	0.326	39%	0.391	S	S	.	.	H	α-helix	trans	-80.4	-34.7	173.5	-69.8	171.9	174.6	154.5	0	111.9	F159 Q161 W162 H168	F159-K164 HydrophobicContact CB-CB 4.22Å; F159-K164 HydrophobicContact CD1-CB 3.93Å; F159-K164 HydrophobicContact CG-CB 4.35Å; Q161-K164 HydrophobicContact CB-CD 4.24Å; Q161-K164 HydrophobicContact CB-CG 4.37Å; Q161-K164 WeakPolarHBondContact O-CB 3.21Å; Q161-K164 PolarHBondContact O-N 3.5Å; W162-K164 PolarHBondContact O-N 2.83Å; W162-K164 VanDerWaalsContact O-N 3.17Å; K164-H168 WeakPolarHBondContact O-CB 3.33Å; K164-H168 PolarHBondContact O-N 3.28Å; K164-H168 VanDerWaalsContact O-N 3.15Å
165	L	77.1	Confident	72.6	Confident	5 Å²	5	73 Å²	73	3%	0.026	39%	0.388	C	S	.	.	H	α-helix	trans	-67	-51	171.9	171.2	58.6	0	0	0	111.4	I151 C152 F159 Q161 W162 R167 H168 Q169	I151-L165 WeakPolarHBondContact O-CD2 3.36Å; C152-L165 HydrophobicContact CB-CD1 3.46Å; C152-L165 VanDerWaalsContact CB-CD1 3.46Å; F159-L165 HydrophobicContact CB-CB 4.32Å; F159-L165 HydrophobicContact CD2-CB 3.94Å; F159-L165 HydrophobicContact CD2-CD1 3.94Å; F159-L165 HydrophobicContact CE2-CD1 4.1Å; F159-L165 HydrophobicContact CG-CB 4.3Å; Q161-L165 PolarHBondContact O-N 3.16Å; W162-L165 HydrophobicContact CE3-CD2 3.91Å; W162-L165 HydrophobicContact CZ3-CD2 3.77Å; W162-L165 WeakPolarHBondContact O-CA 3.33Å; W162-L165 WeakPolarHBondContact O-CB 3.32Å; W162-L165 PolarHBondContact O-N 2.8Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.26Å; L165-H168 CarbonylContact O-C 3.26Å; L165-H168 VanDerWaalsContact O-CA 3.31Å; L165-H168 WeakPolarHBondContact O-CA 3.32Å; L165-H168 VanDerWaalsContact O-CB 3.28Å; L165-H168 WeakPolarHBondContact O-CB 3.35Å; L165-H168 PolarHBondContact O-N 3.46Å; L165-Q169 HydrophobicContact CD1-CG 4.08Å; L165-Q169 PolarHBondContact O-N 3.49Å
166	L	72.1	Confident	72.5	Confident	81 Å²	81	77 Å²	77	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-41.3	-179.9	-170.8	68	0	0	0	111.8	W162 H168 Q169 R170	W162-L166 PolarHBondContact O-N 3.4Å; L166-H168 PolarHBondContact O-N 3.2Å; L166-Q169 PolarHBondContact O-N 3.03Å; L166-R170 PolarHBondContact O-N 3.26Å
167	R	74.9	Confident	72.7	Confident	106 Å²	106	77.9 Å²	77.9	40%	0.4	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-21.6	172.8	-171.4	179.3	70.4	162.9	-6.5	113.4	S163 L165 Q189	S163-R167 WeakPolarHBondContact O-CB 3.5Å; S163-R167 PolarHBondContact O-N 3.03Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 3.26Å; R167-Q189 HydrophobicContact CG-CG 4.18Å
168	H	74.8	Confident	72.6	Confident	19 Å²	19	74 Å²	74	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-84.3	-36.9	174	175.2	45.5	0	0	0	112.4	C155 F159 K164 L165 L166 R170 I171 H172	C155-H168 PolarHBondContact SG-NE2 3.1Å; F159-H168 HydrophobicContact CE1-CB 4.18Å; F159-H168 HydrophobicContact CE2-CB 4.05Å; F159-H168 AromaticContact CE2-CD2 3.34Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.12Å; F159-H168 AromaticContact CE2-CG 3.88Å; F159-H168 HydrophobicContact CZ-CB 3.64Å; F159-H168 AromaticContact CZ-CD2 3.29Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.35Å; F159-H168 AromaticContact CZ-CG 3.43Å; F159-H168 VanDerWaalsContact CZ-CG 3.43Å; K164-H168 WeakPolarHBondContact O-CB 3.33Å; K164-H168 PolarHBondContact O-N 3.28Å; K164-H168 VanDerWaalsContact O-N 3.15Å; L165-H168 CarbonylContact O-C 3.26Å; L165-H168 VanDerWaalsContact O-CA 3.31Å; L165-H168 WeakPolarHBondContact O-CA 3.32Å; L165-H168 VanDerWaalsContact O-CB 3.28Å; L165-H168 WeakPolarHBondContact O-CB 3.35Å; L165-H168 PolarHBondContact O-N 3.46Å; L166-H168 PolarHBondContact O-N 3.2Å; H168-R170 PolarHBondContact O-N 3.26Å; H168-I171 WeakPolarHBondContact O-CB 3.44Å; H168-I171 WeakPolarHBondContact O-CG1 3.26Å; H168-I171 PolarHBondContact O-N 2.84Å; H168-H172 AromaticContact CE1-NE2 3.81Å; H168-H172 AromaticContact NE2-NE2 3.54Å
169	Q	70.2	Confident	72.3	Confident	58 Å²	58	75.9 Å²	75.9	27%	0.271	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-31.1	175.3	-71.7	171.3	-71.7	0	0	112.3	L165 L166 I171 H172 T173	L165-Q169 HydrophobicContact CD1-CG 4.08Å; L165-Q169 PolarHBondContact O-N 3.49Å; L166-Q169 PolarHBondContact O-N 3.03Å; Q169-I171 PolarHBondContact O-N 3.35Å; Q169-H172 WeakPolarHBondContact O-CA 3.47Å; Q169-H172 PolarHBondContact O-N 3.25Å; Q169-T173 PolarHBondContact O-N 2.94Å; Q169-T173 PolarHBondContact O-OG1 3.02Å
170	R	76.5	Confident	72.3	Confident	77 Å²	77	74 Å²	74	29%	0.291	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-9.6	168.5	-66.2	-172.3	179.5	155.6	4.7	115.6	L166 H168 E175 T188	L166-R170 PolarHBondContact O-N 3.26Å; H168-R170 PolarHBondContact O-N 3.26Å; R170-E175 HydrophobicContact CB-CB 4.31Å; R170-E175 HydrophobicContact CG-CB 4.06Å; R170-E175 IonicContact NE-OE2 3.98Å; R170-T188 HydrophobicContact CB-CG2 4.43Å
171	I	68.1	Low	71.9	Confident	114 Å²	114	76 Å²	76	59%	0.585	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-30.5	171.1	-54.7	-176.5	0	0	0	110.7	H168 Q169	H168-I171 WeakPolarHBondContact O-CB 3.44Å; H168-I171 WeakPolarHBondContact O-CG1 3.26Å; H168-I171 PolarHBondContact O-N 2.84Å; Q169-I171 PolarHBondContact O-N 3.35Å
172	H	69.3	Low	71.4	Confident	74 Å²	74	76.8 Å²	76.8	34%	0.343	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-44.9	177.4	-55.7	-52.3	0	0	0	111.4	C152 E154 C155 H168 Q169 G174	C152-H172 VanDerWaalsContact SG-CD2 3.59Å; C152-H172 PolarHBondContact SG-NE2 3.44Å; C152-H172 VanDerWaalsContact SG-NE2 3.37Å; E154-H172 IonicContact OE2-CD2 3.61Å; E154-H172 PolarHBondContact OE2-CD2 2.79Å; E154-H172 IonicContact OE2-CG 3.38Å; C155-H172 PolarHBondContact SG-NE2 2.86Å; H168-H172 AromaticContact CE1-NE2 3.81Å; H168-H172 AromaticContact NE2-NE2 3.54Å; Q169-H172 WeakPolarHBondContact O-CA 3.47Å; Q169-H172 PolarHBondContact O-N 3.25Å; H172-G174 PolarHBondContact O-N 3.36Å
173	T	67	Low	71.5	Confident	81 Å²	81	72.2 Å²	72.2	50%	0.497	39%	0.386	S	S	.	.	S	Bend	trans	-74	-8.3	176.7	65.6	0	0	0	0	114	Q169 E175	Q169-T173 PolarHBondContact O-N 2.94Å; Q169-T173 PolarHBondContact O-OG1 3.02Å; T173-E175 PolarHBondContact O-N 3.13Å; T173-E175 VanDerWaalsContact O-N 3.11Å; T173-E175 WeakPolarHBondContact OG1-CG 3.36Å
174	G	65.8	Low	71.3	Confident	49 Å²	49	71.1 Å²	71.1	51%	0.505	39%	0.386	S	S	.	.			trans	69.4	0.8	-178.2	0	0	0	0	0	115.4	H172 R176	H172-G174 PolarHBondContact O-N 3.36Å; G174-R176 WeakPolarHBondContact O-CG 3.41Å; G174-R176 PolarHBondContact O-N 3.19Å
175	E	66.8	Low	71	Confident	101 Å²	101	73.2 Å²	73.2	47%	0.472	40%	0.395	S	S	.	.			trans	-59.5	124.2	-178	-78.9	179.5	-167.8	0	0	113.3	R170 T173	R170-E175 HydrophobicContact CB-CB 4.31Å; R170-E175 HydrophobicContact CG-CB 4.06Å; R170-E175 IonicContact NE-OE2 3.98Å; T173-E175 PolarHBondContact O-N 3.13Å; T173-E175 VanDerWaalsContact O-N 3.11Å; T173-E175 WeakPolarHBondContact OG1-CG 3.36Å
176	R	73	Confident	70.8	Confident	131 Å²	131	74.9 Å²	74.9	49%	0.494	41%	0.407	S	S	.	.			trans	-130.5	70	-179.8	-65.9	169	81.9	101.2	5.1	111.1	G174 N178 S186 F187 T188	G174-R176 WeakPolarHBondContact O-CG 3.41Å; G174-R176 PolarHBondContact O-N 3.19Å; R176-N178 PolarHBondContact O-N 3.32Å; R176-S186 VanDerWaalsContact CB-CB 3.46Å; R176-S186 PolarHBondContact NE-O 3.1Å; R176-S186 PolarHBondContact NH2-O 3.37Å; R176-S186 WeakPolarHBondContact O-CB 3.23Å; R176-F187 CarbonylContact C-O 3.54Å; R176-F187 WeakPolarHBondContact CA-O 3.43Å; R176-T188 HydrophobicContact CG-CG2 3.95Å
177	P	73.1	Confident	71.1	Confident	77 Å²	77	72.8 Å²	72.8	50%	0.5	40%	0.395	S	S	.	.			trans	-66.3	-5.5	-165.5	-23	35.3	0	0	0	116.6
178	N	72.4	Confident	71	Confident	34 Å²	34	69 Å²	69	18%	0.182	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	87.6	-173.7	-51	-98.9	0	0	0	108.5	R176 S186 F187 Q189 S190 L193	R176-N178 PolarHBondContact O-N 3.32Å; N178-S186 CarbonylContact O-C 3.53Å; N178-S186 WeakPolarHBondContact O-CA 3.25Å; N178-F187 HydrophobicContact CB-CB 4.3Å; N178-F187 WeakPolarHBondContact CB-O 3.3Å; N178-F187 PolarHBondContact N-O 3.26Å; N178-F187 VanDerWaalsContact N-O 3.08Å; N178-F187 PolarHBondContact ND2-O 3.04Å; N178-F187 PolarHBondContact O-N 3.3Å; N178-Q189 PolarHBondContact ND2-N 2.92Å; N178-S190 VanDerWaalsContact OD1-CA 3.22Å; N178-S190 WeakPolarHBondContact OD1-CA 3.41Å; N178-S190 VanDerWaalsContact OD1-CB 3.29Å; N178-S190 WeakPolarHBondContact OD1-CB 3.46Å; N178-S190 PolarHBondContact OD1-N 2.91Å; N178-L193 HydrophobicContact CB-CB 3.98Å; N178-L193 HydrophobicContact CB-CD2 3.85Å
179	T	67.5	Low	71.1	Confident	90 Å²	90	70.1 Å²	70.1	55%	0.552	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.3	-179.1	43	0	0	0	0	112.1	L193	T179-L193 WeakPolarHBondContact O-CD2 3.28Å
180	C	79.4	Confident	71.1	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.014	40%	0.4	C	S	.	.			trans	-81.8	114.7	168.9	-178.9	0	0	0	0	110	E182 C183 G184 K185 L193 H200	C180-E182 VanDerWaalsContact C-N 3.28Å; C180-E182 PolarHBondContact O-N 3.07Å; C180-C183 PolarHBondContact O-N 3.14Å; C180-G184 VanDerWaalsContact O-CA 3.31Å; C180-G184 WeakPolarHBondContact O-CA 3.3Å; C180-G184 PolarHBondContact O-N 2.85Å; C180-K185 HydrophobicContact CB-CB 4.44Å; C180-K185 VanDerWaalsContact CB-O 3.26Å; C180-K185 WeakPolarHBondContact CB-O 3.35Å; C180-K185 PolarHBondContact N-O 2.89Å; C180-L193 HydrophobicContact CB-CD1 3.53Å; C180-H200 PolarHBondContact SG-NE2 3.28Å; C180-H200 VanDerWaalsContact SG-NE2 3.44Å
181	S	70	Confident	71	Confident	105 Å²	105	70.2 Å²	70.2	73%	0.734	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-39.9	176.5	44	0	0	0	0	113.2	C183	S181-C183 PolarHBondContact O-N 3.3Å
182	E	66.3	Low	71.3	Confident	112 Å²	112	68.4 Å²	68.4	52%	0.523	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.6	-172.8	-61.7	166.6	124.4	0	0	114.3	C180 H200	C180-E182 VanDerWaalsContact C-N 3.28Å; C180-E182 PolarHBondContact O-N 3.07Å; E182-H200 IonicContact OE2-CD2 3.32Å; E182-H200 PolarHBondContact OE2-CD2 2.97Å; E182-H200 IonicContact OE2-CG 3.27Å
183	C	68	Low	71.7	Confident	50 Å²	50	66 Å²	66	34%	0.338	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.3	13.6	-177.4	72.4	0	0	0	0	115.9	C180 S181 K185 H196 H200	C180-C183 PolarHBondContact O-N 3.14Å; S181-C183 PolarHBondContact O-N 3.3Å; C183-K185 PolarHBondContact O-N 3Å; C183-H196 PolarHBondContact SG-NE2 3.42Å; C183-H200 PolarHBondContact SG-NE2 3.12Å; C183-H200 VanDerWaalsContact SG-NE2 3.36Å
184	G	69.6	Low	71.9	Confident	52 Å²	52	65.7 Å²	65.7	54%	0.536	38%	0.384	S	S	.	.			trans	68.4	-8.3	178.9	0	0	0	0	0	116.2	C180 S186	C180-G184 VanDerWaalsContact O-CA 3.31Å; C180-G184 WeakPolarHBondContact O-CA 3.3Å; C180-G184 PolarHBondContact O-N 2.85Å; G184-S186 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact O-N 3.16Å; G184-S186 PolarHBondContact O-OG 3.27Å
185	K	68.1	Low	72.1	Confident	120 Å²	120	67 Å²	67	52%	0.522	38%	0.377	S	S	.	.			trans	-65.8	117.3	-175.1	-71.6	174.2	-172.4	159.2	0	111.4	C180 C183 F187	C180-K185 HydrophobicContact CB-CB 4.44Å; C180-K185 VanDerWaalsContact CB-O 3.26Å; C180-K185 WeakPolarHBondContact CB-O 3.35Å; C180-K185 PolarHBondContact N-O 2.89Å; C183-K185 PolarHBondContact O-N 3Å; K185-F187 HydrophobicContact CB-CE2 3.81Å; K185-F187 HydrophobicContact CB-CZ 4.16Å; K185-F187 WeakPolarHBondContact O-CD2 3.49Å; K185-F187 WeakPolarHBondContact O-CE2 3.37Å
186	S	74.8	Confident	72.4	Confident	39 Å²	39	63.3 Å²	63.3	27%	0.273	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	147.8	-178.8	-40.7	0	0	0	0	112.2	R176 N178 G184	R176-S186 VanDerWaalsContact CB-CB 3.46Å; R176-S186 PolarHBondContact NE-O 3.1Å; R176-S186 PolarHBondContact NH2-O 3.37Å; R176-S186 WeakPolarHBondContact O-CB 3.23Å; N178-S186 CarbonylContact O-C 3.53Å; N178-S186 WeakPolarHBondContact O-CA 3.25Å; G184-S186 PolarHBondContact O-N 2.89Å; G184-S186 VanDerWaalsContact O-N 3.16Å; G184-S186 PolarHBondContact O-OG 3.27Å
187	F	78.4	Confident	72.3	Confident	38 Å²	38	60.1 Å²	60.1	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.6	-179.3	-62.1	-94.7	0	0	0	112.7	R176 N178 K185 Q189 H192 L193 H196	R176-F187 CarbonylContact C-O 3.54Å; R176-F187 WeakPolarHBondContact CA-O 3.43Å; N178-F187 HydrophobicContact CB-CB 4.3Å; N178-F187 WeakPolarHBondContact CB-O 3.3Å; N178-F187 PolarHBondContact N-O 3.26Å; N178-F187 VanDerWaalsContact N-O 3.08Å; N178-F187 PolarHBondContact ND2-O 3.04Å; N178-F187 PolarHBondContact O-N 3.3Å; K185-F187 HydrophobicContact CB-CE2 3.81Å; K185-F187 HydrophobicContact CB-CZ 4.16Å; K185-F187 WeakPolarHBondContact O-CD2 3.49Å; K185-F187 WeakPolarHBondContact O-CE2 3.37Å; F187-Q189 PolarHBondContact O-N 3.3Å; F187-H192 HydrophobicContact CB-CB 4.29Å; F187-H192 HydrophobicContact CD1-CB 3.85Å; F187-H192 HydrophobicContact CG-CB 4.32Å; F187-L193 HydrophobicContact CB-CB 4.43Å; F187-L193 HydrophobicContact CD2-CB 4.1Å; F187-L193 HydrophobicContact CD2-CD1 4.08Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; F187-L193 HydrophobicContact CG-CB 4.44Å; F187-H196 HydrophobicContact CE1-CB 4.27Å; F187-H196 HydrophobicContact CE2-CB 4Å; F187-H196 AromaticContact CE2-CD2 3.34Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.4Å; F187-H196 AromaticContact CE2-CG 3.89Å; F187-H196 HydrophobicContact CZ-CB 3.65Å; F187-H196 AromaticContact CZ-CD2 3.41Å; F187-H196 VanDerWaalsContact CZ-CD2 3.41Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.47Å; F187-H196 AromaticContact CZ-CG 3.56Å
188	T	72.8	Confident	72.5	Confident	27 Å²	27	59.5 Å²	59.5	17%	0.166	34%	0.338	C	S	.	.	S	Bend	trans	-71.7	-12.4	176.8	57.3	0	0	0	0	113.5	R170 R176	R170-T188 HydrophobicContact CB-CG2 4.43Å; R176-T188 HydrophobicContact CG-CG2 3.95Å
189	Q	75.2	Confident	72	Confident	42 Å²	42	61.9 Å²	61.9	20%	0.196	35%	0.354	C	S	.	.	S	Bend	trans	-143	139.1	-176.6	-61.7	-177.4	73.4	0	0	110.9	R167 N178 F187 S191 H192 L193	R167-Q189 HydrophobicContact CG-CG 4.18Å; N178-Q189 PolarHBondContact ND2-N 2.92Å; F187-Q189 PolarHBondContact O-N 3.3Å; Q189-S191 PolarHBondContact O-N 3.31Å; Q189-H192 HydrophobicContact CB-CB 4.48Å; Q189-H192 PolarHBondContact NE2-CE1 3.23Å; Q189-H192 PolarHBondContact O-N 3Å; Q189-L193 PolarHBondContact O-N 2.8Å
190	S	71.5	Confident	72	Confident	74 Å²	74	61 Å²	61	52%	0.517	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-38.5	176.6	50.2	0	0	0	0	112.7	N178 H192 L193 V194	N178-S190 VanDerWaalsContact OD1-CA 3.22Å; N178-S190 WeakPolarHBondContact OD1-CA 3.41Å; N178-S190 VanDerWaalsContact OD1-CB 3.29Å; N178-S190 WeakPolarHBondContact OD1-CB 3.46Å; N178-S190 PolarHBondContact OD1-N 2.91Å; S190-H192 VanDerWaalsContact C-N 3.26Å; S190-H192 PolarHBondContact O-N 2.99Å; S190-L193 WeakPolarHBondContact O-CA 3.38Å; S190-L193 WeakPolarHBondContact O-CB 3.08Å; S190-L193 PolarHBondContact O-N 2.88Å; S190-V194 PolarHBondContact O-N 3.29Å
191	S	74.4	Confident	71.3	Confident	63 Å²	63	64.6 Å²	64.6	44%	0.441	37%	0.365	S	S	.	.	H	α-helix	trans	-57.4	-36.9	175.5	54.4	0	0	0	0	113.1	Q189 Q195	Q189-S191 PolarHBondContact O-N 3.31Å; S191-Q195 VanDerWaalsContact O-CB 3.24Å; S191-Q195 WeakPolarHBondContact O-CB 3.34Å; S191-Q195 PolarHBondContact O-N 2.91Å
192	H	74.3	Confident	71	Confident	76 Å²	76	61.6 Å²	61.6	35%	0.352	35%	0.351	S	S	.	.	H	α-helix	trans	-75.1	-30.6	175.9	-64.1	173.5	0	0	0	112.4	F187 Q189 S190 H196	F187-H192 HydrophobicContact CB-CB 4.29Å; F187-H192 HydrophobicContact CD1-CB 3.85Å; F187-H192 HydrophobicContact CG-CB 4.32Å; Q189-H192 HydrophobicContact CB-CB 4.48Å; Q189-H192 PolarHBondContact NE2-CE1 3.23Å; Q189-H192 PolarHBondContact O-N 3Å; S190-H192 VanDerWaalsContact C-N 3.26Å; S190-H192 PolarHBondContact O-N 2.99Å; H192-H196 WeakPolarHBondContact O-CB 3.21Å; H192-H196 PolarHBondContact O-N 3.47Å
193	L	76.4	Confident	71	Confident	22 Å²	22	61 Å²	61	12%	0.115	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-49	171.2	171.4	60.8	0	0	0	110.9	N178 T179 C180 F187 Q189 S190 Q195 H196 Q197	N178-L193 HydrophobicContact CB-CB 3.98Å; N178-L193 HydrophobicContact CB-CD2 3.85Å; T179-L193 WeakPolarHBondContact O-CD2 3.28Å; C180-L193 HydrophobicContact CB-CD1 3.53Å; F187-L193 HydrophobicContact CB-CB 4.43Å; F187-L193 HydrophobicContact CD2-CB 4.1Å; F187-L193 HydrophobicContact CD2-CD1 4.08Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; F187-L193 HydrophobicContact CG-CB 4.44Å; Q189-L193 PolarHBondContact O-N 2.8Å; S190-L193 WeakPolarHBondContact O-CA 3.38Å; S190-L193 WeakPolarHBondContact O-CB 3.08Å; S190-L193 PolarHBondContact O-N 2.88Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.44Å; L193-H196 CarbonylContact O-C 3.55Å; L193-H196 WeakPolarHBondContact O-CA 3.5Å; L193-H196 WeakPolarHBondContact O-CB 3.27Å; L193-H196 PolarHBondContact O-N 2.71Å; L193-Q197 HydrophobicContact CD1-CG 4.22Å; L193-Q197 PolarHBondContact O-N 2.81Å
194	V	73	Confident	71.3	Confident	76 Å²	76	64.5 Å²	64.5	46%	0.461	36%	0.357	S	S	.	.	H	α-helix	trans	-62	-40	177	175.5	0	0	0	0	111.3	S190 H196 Q197	S190-V194 PolarHBondContact O-N 3.29Å; V194-H196 PolarHBondContact O-N 2.81Å; V194-Q197 PolarHBondContact O-N 3.5Å
195	Q	68.7	Low	71.5	Confident	77 Å²	77	65.4 Å²	65.4	36%	0.36	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-28.8	172.3	-174.3	-179.3	12.3	0	0	112.8	S191 L193 W217	S191-Q195 VanDerWaalsContact O-CB 3.24Å; S191-Q195 WeakPolarHBondContact O-CB 3.34Å; S191-Q195 PolarHBondContact O-N 2.91Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.44Å; Q195-W217 VanDerWaalsContact NE2-CD1 3.26Å; Q195-W217 VanDerWaalsContact NE2-NE1 3.16Å
196	H	73.8	Confident	71.9	Confident	23 Å²	23	63.5 Å²	63.5	11%	0.106	34%	0.344	C	S	.	.	H	α-helix	trans	-80.4	-38.2	175.5	174.6	36.5	0	0	0	112.9	C183 F187 H192 L193 V194 R198 T199 H200	C183-H196 PolarHBondContact SG-NE2 3.42Å; F187-H196 HydrophobicContact CE1-CB 4.27Å; F187-H196 HydrophobicContact CE2-CB 4Å; F187-H196 AromaticContact CE2-CD2 3.34Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.4Å; F187-H196 AromaticContact CE2-CG 3.89Å; F187-H196 HydrophobicContact CZ-CB 3.65Å; F187-H196 AromaticContact CZ-CD2 3.41Å; F187-H196 VanDerWaalsContact CZ-CD2 3.41Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.47Å; F187-H196 AromaticContact CZ-CG 3.56Å; H192-H196 WeakPolarHBondContact O-CB 3.21Å; H192-H196 PolarHBondContact O-N 3.47Å; L193-H196 CarbonylContact O-C 3.55Å; L193-H196 WeakPolarHBondContact O-CA 3.5Å; L193-H196 WeakPolarHBondContact O-CB 3.27Å; L193-H196 PolarHBondContact O-N 2.71Å; V194-H196 PolarHBondContact O-N 2.81Å; H196-R198 PolarHBondContact O-N 2.96Å; H196-R198 VanDerWaalsContact O-N 3.12Å; H196-T199 PolarHBondContact CE1-OG1 3.41Å; H196-T199 VanDerWaalsContact CE1-OG1 3.23Å; H196-T199 PolarHBondContact ND1-OG1 3.43Å; H196-T199 WeakPolarHBondContact O-CB 2.9Å; H196-T199 PolarHBondContact O-N 2.99Å; H196-T199 PolarHBondContact O-OG1 3.37Å; H196-H200 AromaticContact CE1-CE1 3.52Å; H196-H200 AromaticContact CE1-NE2 3.3Å; H196-H200 PolarHBondContact CE1-NE2 2.82Å; H196-H200 VanDerWaalsContact CE1-NE2 3.3Å; H196-H200 AromaticContact NE2-CE1 3.79Å; H196-H200 AromaticContact NE2-NE2 3.23Å; H196-H200 PolarHBondContact NE2-NE2 3.08Å
197	Q	70.8	Confident	71.6	Confident	63 Å²	63	68.3 Å²	68.3	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-57	-30.7	178.4	-73.8	168.3	-62.6	0	0	112.2	L193 V194 T199 H200 T201	L193-Q197 HydrophobicContact CD1-CG 4.22Å; L193-Q197 PolarHBondContact O-N 2.81Å; V194-Q197 PolarHBondContact O-N 3.5Å; Q197-T199 PolarHBondContact O-N 3.48Å; Q197-H200 PolarHBondContact O-N 3.08Å; Q197-T201 PolarHBondContact O-N 3.32Å
198	R	76.4	Confident	71.6	Confident	65 Å²	65	66.5 Å²	66.5	25%	0.245	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15	169.6	-62.8	-179.7	-177.9	174.1	2.1	115.2	H196 G202 E203	H196-R198 PolarHBondContact O-N 2.96Å; H196-R198 VanDerWaalsContact O-N 3.12Å; R198-G202 PolarHBondContact O-N 3.34Å; R198-E203 HydrophobicContact CB-CB 4.39Å; R198-E203 HydrophobicContact CG-CB 4.21Å
199	T	62.6	Low	71.5	Confident	84 Å²	84	69.8 Å²	69.8	52%	0.515	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-17.6	171.6	69.5	0	0	0	0	113.1	H196 Q197	H196-T199 PolarHBondContact CE1-OG1 3.41Å; H196-T199 VanDerWaalsContact CE1-OG1 3.23Å; H196-T199 PolarHBondContact ND1-OG1 3.43Å; H196-T199 WeakPolarHBondContact O-CB 2.9Å; H196-T199 PolarHBondContact O-N 2.99Å; H196-T199 PolarHBondContact O-OG1 3.37Å; Q197-T199 PolarHBondContact O-N 3.48Å
200	H	66.6	Low	71.3	Confident	71 Å²	71	72.6 Å²	72.6	33%	0.329	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-47.9	177.7	-52.4	-47.2	0	0	0	110.6	C180 E182 C183 H196 Q197 G202	C180-H200 PolarHBondContact SG-NE2 3.28Å; C180-H200 VanDerWaalsContact SG-NE2 3.44Å; E182-H200 IonicContact OE2-CD2 3.32Å; E182-H200 PolarHBondContact OE2-CD2 2.97Å; E182-H200 IonicContact OE2-CG 3.27Å; C183-H200 PolarHBondContact SG-NE2 3.12Å; C183-H200 VanDerWaalsContact SG-NE2 3.36Å; H196-H200 AromaticContact CE1-CE1 3.52Å; H196-H200 AromaticContact CE1-NE2 3.3Å; H196-H200 PolarHBondContact CE1-NE2 2.82Å; H196-H200 VanDerWaalsContact CE1-NE2 3.3Å; H196-H200 AromaticContact NE2-CE1 3.79Å; H196-H200 AromaticContact NE2-NE2 3.23Å; H196-H200 PolarHBondContact NE2-NE2 3.08Å; Q197-H200 PolarHBondContact O-N 3.08Å; H200-G202 PolarHBondContact O-N 3.14Å
201	T	65.4	Low	71.1	Confident	77 Å²	77	71.4 Å²	71.4	47%	0.472	38%	0.381	S	S	.	.	S	Bend	trans	-69.8	-13.2	175.2	68	0	0	0	0	113.6	Q197 E203	Q197-T201 PolarHBondContact O-N 3.32Å; T201-E203 PolarHBondContact O-N 2.93Å; T201-E203 VanDerWaalsContact OG1-CD 3.31Å; T201-E203 WeakPolarHBondContact OG1-CG 3.39Å; T201-E203 PolarHBondContact OG1-OE1 2.93Å; T201-E203 VanDerWaalsContact OG1-OE1 3.07Å
202	G	64.5	Low	70.7	Confident	42 Å²	42	70 Å²	70	43%	0.433	38%	0.376	S	S	.	.			trans	72.5	1.5	-179.6	0	0	0	0	0	115	R198 H200 K204	R198-G202 PolarHBondContact O-N 3.34Å; H200-G202 PolarHBondContact O-N 3.14Å; G202-K204 PolarHBondContact O-N 3.45Å
203	E	66.1	Low	70.3	Confident	101 Å²	101	72.1 Å²	72.1	47%	0.472	39%	0.385	S	S	.	.			trans	-54.6	129.6	-178	-81.2	169.3	-137.7	0	0	113.3	R198 T201	R198-E203 HydrophobicContact CB-CB 4.39Å; R198-E203 HydrophobicContact CG-CB 4.21Å; T201-E203 PolarHBondContact O-N 2.93Å; T201-E203 VanDerWaalsContact OG1-CD 3.31Å; T201-E203 WeakPolarHBondContact OG1-CG 3.39Å; T201-E203 PolarHBondContact OG1-OE1 2.93Å; T201-E203 VanDerWaalsContact OG1-OE1 3.07Å
204	K	73.1	Confident	69.9	Low	123 Å²	123	73.6 Å²	73.6	54%	0.535	40%	0.396	S	S	.	.			trans	-131.2	77.1	178.8	-70.9	155.7	-177.9	170.2	0	109.8	G202 Y206 C214 F215	G202-K204 PolarHBondContact O-N 3.45Å; K204-Y206 PolarHBondContact O-N 3.13Å; K204-Y206 VanDerWaalsContact O-N 3.11Å; K204-C214 HydrophobicContact CB-CB 3.43Å; K204-C214 VanDerWaalsContact CB-CB 3.43Å; K204-C214 HydrophobicContact CD-CB 4.26Å; K204-C214 HydrophobicContact CG-CB 4.41Å; K204-C214 WeakPolarHBondContact O-CB 3.37Å; K204-F215 CarbonylContact C-O 3.58Å; K204-F215 VanDerWaalsContact CA-O 3.29Å; K204-F215 WeakPolarHBondContact CA-O 3.24Å
205	P	75.1	Confident	70.1	Confident	70 Å²	70	72.2 Å²	72.2	46%	0.455	38%	0.384	S	S	.	.			trans	-63.6	-19.6	-172.2	-24.3	35.8	0	0	0	114.7	K207	P205-K207 PolarHBondContact O-N 3.3Å
206	Y	75.8	Confident	70.2	Confident	81 Å²	81	70 Å²	70	32%	0.318	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	86.8	-172.4	-52.9	-73.6	0	0	0	110.7	K204 C214 F215 S216 S218	K204-Y206 PolarHBondContact O-N 3.13Å; K204-Y206 VanDerWaalsContact O-N 3.11Å; Y206-C214 WeakPolarHBondContact O-CA 3.29Å; Y206-F215 WeakPolarHBondContact CD2-O 3.31Å; Y206-F215 PolarHBondContact N-O 2.83Å; Y206-F215 VanDerWaalsContact N-O 3.09Å; Y206-F215 PolarHBondContact O-N 3.19Å; Y206-S216 WeakPolarHBondContact CE2-O 3.15Å; Y206-S218 VanDerWaalsContact CD2-N 3.28Å
207	K	68.4	Low	70.3	Confident	139 Å²	139	73.8 Å²	73.8	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.9	176.4	-175.3	175.1	179.4	-174.4	0	111.6	P205	P205-K207 PolarHBondContact O-N 3.3Å
208	C	79.6	Confident	70.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.398	C	S	.	.			trans	-77.2	126.1	170.1	-154.9	0	0	0	0	109.7	D210 G212 K213 F215 L221	C208-D210 PolarHBondContact SG-OD2 3.29Å; C208-G212 VanDerWaalsContact O-CA 3.25Å; C208-G212 WeakPolarHBondContact O-CA 3.46Å; C208-G212 PolarHBondContact O-N 3.44Å; C208-K213 VanDerWaalsContact CB-O 3.31Å; C208-K213 WeakPolarHBondContact CB-O 3.36Å; C208-K213 PolarHBondContact N-O 3.44Å; C208-F215 HydrophobicContact CB-CE2 4.42Å; C208-L221 VanDerWaalsContact CA-CD1 3.47Å; C208-L221 HydrophobicContact CB-CD1 3.55Å
209	P	70.4	Confident	70.4	Confident	97 Å²	97	74.1 Å²	74.1	63%	0.63	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-42.5	178.3	25.1	-31.2	0	0	0	111.2	C211	P209-C211 VanDerWaalsContact C-N 3.3Å; P209-C211 PolarHBondContact O-N 3.04Å
210	D	69.4	Low	71.2	Confident	100 Å²	100	72.4 Å²	72.4	54%	0.535	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.6	-167.7	-26.5	-85.4	0	0	0	114.2	C208 H228	C208-D210 PolarHBondContact SG-OD2 3.29Å; D210-H228 HydrophobicContact CB-CB 4.43Å; D210-H228 IonicContact OD2-CD2 3.76Å; D210-H228 PolarHBondContact OD2-CD2 3.16Å
211	C	67.2	Low	71.8	Confident	49 Å²	49	70 Å²	70	33%	0.331	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	6.5	-174.8	74.9	0	0	0	0	114.8	P209 K213 H224 H228	P209-C211 VanDerWaalsContact C-N 3.3Å; P209-C211 PolarHBondContact O-N 3.04Å; C211-K213 PolarHBondContact O-N 2.79Å; C211-H224 PolarHBondContact SG-NE2 3.27Å; C211-H228 PolarHBondContact SG-NE2 3.42Å
212	G	67.1	Low	72.4	Confident	33 Å²	33	69.9 Å²	69.9	34%	0.34	39%	0.386	S	S	.	.			trans	67	-4.5	179.7	0	0	0	0	0	116.9	C208 C214	C208-G212 VanDerWaalsContact O-CA 3.25Å; C208-G212 WeakPolarHBondContact O-CA 3.46Å; C208-G212 PolarHBondContact O-N 3.44Å; G212-C214 PolarHBondContact O-N 3.25Å; G212-C214 PolarHBondContact O-SG 3.16Å
213	K	66.8	Low	73.1	Confident	121 Å²	121	71.7 Å²	71.7	53%	0.526	38%	0.384	S	S	.	.			trans	-69	128.4	-176.3	-68.1	173.7	-173	165.2	0	111.5	C208 C211 F215	C208-K213 VanDerWaalsContact CB-O 3.31Å; C208-K213 WeakPolarHBondContact CB-O 3.36Å; C208-K213 PolarHBondContact N-O 3.44Å; C211-K213 PolarHBondContact O-N 2.79Å; K213-F215 HydrophobicContact CB-CE2 3.92Å; K213-F215 HydrophobicContact CB-CZ 4.16Å; K213-F215 WeakPolarHBondContact O-CD2 3.36Å; K213-F215 VanDerWaalsContact O-CE2 3.29Å; K213-F215 WeakPolarHBondContact O-CE2 3.24Å
214	C	67.6	Low	73.8	Confident	54 Å²	54	68.2 Å²	68.2	37%	0.365	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	141.1	-178.6	-54	0	0	0	0	112.6	K204 Y206 G212	K204-C214 HydrophobicContact CB-CB 3.43Å; K204-C214 VanDerWaalsContact CB-CB 3.43Å; K204-C214 HydrophobicContact CD-CB 4.26Å; K204-C214 HydrophobicContact CG-CB 4.41Å; K204-C214 WeakPolarHBondContact O-CB 3.37Å; Y206-C214 WeakPolarHBondContact O-CA 3.29Å; G212-C214 PolarHBondContact O-N 3.25Å; G212-C214 PolarHBondContact O-SG 3.16Å
215	F	75.8	Confident	74	Confident	46 Å²	46	65.2 Å²	65.2	20%	0.202	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.3	-179.6	-60.6	-90.8	0	0	0	111.5	K204 Y206 C208 K213 N220 L221 H224	K204-F215 CarbonylContact C-O 3.58Å; K204-F215 VanDerWaalsContact CA-O 3.29Å; K204-F215 WeakPolarHBondContact CA-O 3.24Å; Y206-F215 WeakPolarHBondContact CD2-O 3.31Å; Y206-F215 PolarHBondContact N-O 2.83Å; Y206-F215 VanDerWaalsContact N-O 3.09Å; Y206-F215 PolarHBondContact O-N 3.19Å; C208-F215 HydrophobicContact CB-CE2 4.42Å; K213-F215 HydrophobicContact CB-CE2 3.92Å; K213-F215 HydrophobicContact CB-CZ 4.16Å; K213-F215 WeakPolarHBondContact O-CD2 3.36Å; K213-F215 VanDerWaalsContact O-CE2 3.29Å; K213-F215 WeakPolarHBondContact O-CE2 3.24Å; F215-N220 HydrophobicContact CB-CB 4.26Å; F215-N220 HydrophobicContact CD1-CB 3.89Å; F215-N220 HydrophobicContact CG-CB 4.32Å; F215-L221 HydrophobicContact CB-CB 4.34Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 4.04Å; F215-L221 HydrophobicContact CE2-CD1 4.27Å; F215-L221 HydrophobicContact CG-CB 4.34Å; F215-H224 HydrophobicContact CE1-CB 4.13Å; F215-H224 HydrophobicContact CE2-CB 3.94Å; F215-H224 AromaticContact CE2-CD2 3.39Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.04Å; F215-H224 AromaticContact CE2-CG 3.86Å; F215-H224 HydrophobicContact CZ-CB 3.56Å; F215-H224 AromaticContact CZ-CD2 3.3Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.32Å; F215-H224 AromaticContact CZ-CG 3.42Å; F215-H224 VanDerWaalsContact CZ-CG 3.42Å
216	S	71.4	Confident	74.3	Confident	32 Å²	32	64.7 Å²	64.7	22%	0.224	34%	0.344	C	S	.	.	S	Bend	trans	-78	-21.4	176.9	50.2	0	0	0	0	113.6	Y206	Y206-S216 WeakPolarHBondContact CE2-O 3.15Å
217	W	75.9	Confident	74.2	Confident	102 Å²	102	64.9 Å²	64.9	39%	0.386	35%	0.354	S	S	.	.	S	Bend	trans	-129.7	137.7	178.9	-45.9	-35.4	0	0	0	111.1	Q195 S219 N220 L221	Q195-W217 VanDerWaalsContact NE2-CD1 3.26Å; Q195-W217 VanDerWaalsContact NE2-NE1 3.16Å; W217-S219 VanDerWaalsContact C-N 3.3Å; W217-S219 PolarHBondContact O-N 3.06Å; W217-N220 WeakPolarHBondContact O-CB 3.44Å; W217-N220 PolarHBondContact O-N 3.34Å; W217-N220 VanDerWaalsContact O-N 3.09Å; W217-L221 PolarHBondContact O-N 3.48Å
218	S	74.5	Confident	74.5	Confident	62 Å²	62	62 Å²	62	43%	0.434	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-35.6	178.9	51.7	0	0	0	0	113	Y206 N220 L221 V222	Y206-S218 VanDerWaalsContact CD2-N 3.28Å; S218-N220 PolarHBondContact O-N 3.3Å; S218-L221 PolarHBondContact O-N 3.1Å; S218-L221 VanDerWaalsContact O-N 3.14Å; S218-V222 WeakPolarHBondContact O-CG2 3.45Å; S218-V222 PolarHBondContact O-N 3.37Å
219	S	75.8	Confident	74.2	Confident	73 Å²	73	66.1 Å²	66.1	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-58.5	-33.1	174.1	53.8	0	0	0	0	113.2	W217 Q223	W217-S219 VanDerWaalsContact C-N 3.3Å; W217-S219 PolarHBondContact O-N 3.06Å; S219-Q223 WeakPolarHBondContact O-CB 3.4Å; S219-Q223 PolarHBondContact O-N 3.22Å
220	N	79.1	Confident	74.4	Confident	47 Å²	47	63.5 Å²	63.5	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-77.9	-35	177.2	-66.4	0.7	0	0	0	111.4	F215 W217 S218 Q223 H224	F215-N220 HydrophobicContact CB-CB 4.26Å; F215-N220 HydrophobicContact CD1-CB 3.89Å; F215-N220 HydrophobicContact CG-CB 4.32Å; W217-N220 WeakPolarHBondContact O-CB 3.44Å; W217-N220 PolarHBondContact O-N 3.34Å; W217-N220 VanDerWaalsContact O-N 3.09Å; S218-N220 PolarHBondContact O-N 3.3Å; N220-Q223 PolarHBondContact O-N 3.22Å; N220-H224 WeakPolarHBondContact O-CB 3.47Å; N220-H224 PolarHBondContact O-N 3.01Å
221	L	79.8	Confident	74.6	Confident	21 Å²	21	63.4 Å²	63.4	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-51.8	171.4	170.2	58.6	0	0	0	110.9	C208 F215 W217 S218 Q223 H224 Q225	C208-L221 VanDerWaalsContact CA-CD1 3.47Å; C208-L221 HydrophobicContact CB-CD1 3.55Å; F215-L221 HydrophobicContact CB-CB 4.34Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 4.04Å; F215-L221 HydrophobicContact CE2-CD1 4.27Å; F215-L221 HydrophobicContact CG-CB 4.34Å; W217-L221 PolarHBondContact O-N 3.48Å; S218-L221 PolarHBondContact O-N 3.1Å; S218-L221 VanDerWaalsContact O-N 3.14Å; L221-Q223 VanDerWaalsContact C-N 3.26Å; L221-Q223 PolarHBondContact O-N 3.35Å; L221-H224 CarbonylContact O-C 3.51Å; L221-H224 WeakPolarHBondContact O-CA 3.41Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.18Å; L221-Q225 HydrophobicContact CD1-CG 3.95Å; L221-Q225 HydrophobicContact CG-CG 4.48Å; L221-Q225 WeakPolarHBondContact O-CG 3.24Å; L221-Q225 PolarHBondContact O-N 2.85Å
222	V	78	Confident	75.2	Confident	75 Å²	75	66.3 Å²	66.3	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-60.3	-37.7	178.1	173.8	0	0	0	0	111.3	S218 H224	S218-V222 WeakPolarHBondContact O-CG2 3.45Å; S218-V222 PolarHBondContact O-N 3.37Å; V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 PolarHBondContact O-N 3.04Å
223	Q	78.7	Confident	75.9	Confident	80 Å²	80	68 Å²	68	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-31	172.8	-176	177.2	111.7	0	0	113	S219 N220 L221 Q245	S219-Q223 WeakPolarHBondContact O-CB 3.4Å; S219-Q223 PolarHBondContact O-N 3.22Å; N220-Q223 PolarHBondContact O-N 3.22Å; L221-Q223 VanDerWaalsContact C-N 3.26Å; L221-Q223 PolarHBondContact O-N 3.35Å; Q223-Q245 HydrophobicContact CG-CG 4.3Å
224	H	79.6	Confident	76.5	Confident	27 Å²	27	66 Å²	66	13%	0.125	36%	0.356	C	S	.	.	H	α-helix	trans	-77.8	-37.7	176.2	-179.8	43	0	0	0	112.6	C211 F215 N220 L221 V222 R226 T227 H228	C211-H224 PolarHBondContact SG-NE2 3.27Å; F215-H224 HydrophobicContact CE1-CB 4.13Å; F215-H224 HydrophobicContact CE2-CB 3.94Å; F215-H224 AromaticContact CE2-CD2 3.39Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.04Å; F215-H224 AromaticContact CE2-CG 3.86Å; F215-H224 HydrophobicContact CZ-CB 3.56Å; F215-H224 AromaticContact CZ-CD2 3.3Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.32Å; F215-H224 AromaticContact CZ-CG 3.42Å; F215-H224 VanDerWaalsContact CZ-CG 3.42Å; N220-H224 WeakPolarHBondContact O-CB 3.47Å; N220-H224 PolarHBondContact O-N 3.01Å; L221-H224 CarbonylContact O-C 3.51Å; L221-H224 WeakPolarHBondContact O-CA 3.41Å; L221-H224 WeakPolarHBondContact O-CB 3.37Å; L221-H224 PolarHBondContact O-N 3.18Å; V222-H224 VanDerWaalsContact C-N 3.31Å; V222-H224 PolarHBondContact O-N 3.04Å; H224-R226 PolarHBondContact O-N 3.25Å; H224-T227 PolarHBondContact CE1-OG1 3.17Å; H224-T227 PolarHBondContact ND1-OG1 2.9Å; H224-T227 WeakPolarHBondContact O-CA 3.31Å; H224-T227 WeakPolarHBondContact O-CB 3.39Å; H224-T227 PolarHBondContact O-N 2.91Å; H224-T227 PolarHBondContact O-OG1 3.15Å; H224-H228 AromaticContact CD2-NE2 3.86Å; H224-H228 AromaticContact CE1-CE1 3.77Å; H224-H228 AromaticContact CE1-NE2 3.66Å; H224-H228 AromaticContact NE2-CE1 3.69Å; H224-H228 AromaticContact NE2-NE2 3.26Å; H224-H228 PolarHBondContact NE2-NE2 3.33Å
225	Q	77.7	Confident	77	Confident	60 Å²	60	70.7 Å²	70.7	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-58.8	-31.8	178.3	-73	172.1	-63.5	0	0	112.3	L221 T227 H228 T229	L221-Q225 HydrophobicContact CD1-CG 3.95Å; L221-Q225 HydrophobicContact CG-CG 4.48Å; L221-Q225 WeakPolarHBondContact O-CG 3.24Å; L221-Q225 PolarHBondContact O-N 2.85Å; Q225-T227 PolarHBondContact O-N 3.44Å; Q225-H228 PolarHBondContact O-N 3.43Å; Q225-T229 PolarHBondContact O-N 2.94Å
226	R	81.9	Confident	77.3	Confident	60 Å²	60	68.7 Å²	68.7	23%	0.226	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.8	169.5	-64.6	-179.3	-179	168.7	3.9	115.1	H224 G230 E231 T244	H224-R226 PolarHBondContact O-N 3.25Å; R226-G230 CarbonylContact O-C 3.47Å; R226-G230 PolarHBondContact O-N 3.4Å; R226-E231 HydrophobicContact CB-CB 4.21Å; R226-E231 HydrophobicContact CG-CB 4.01Å; R226-E231 IonicContact NE-OE2 3.84Å; R226-E231 PolarHBondContact O-N 3.35Å; R226-T244 HydrophobicContact CB-CG2 4.38Å; R226-T244 PolarHBondContact NH1-O 3.18Å
227	T	73.7	Confident	77.5	Confident	85 Å²	85	73.3 Å²	73.3	52%	0.521	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-16.6	171.5	69.1	0	0	0	0	113.1	H224 Q225	H224-T227 PolarHBondContact CE1-OG1 3.17Å; H224-T227 PolarHBondContact ND1-OG1 2.9Å; H224-T227 WeakPolarHBondContact O-CA 3.31Å; H224-T227 WeakPolarHBondContact O-CB 3.39Å; H224-T227 PolarHBondContact O-N 2.91Å; H224-T227 PolarHBondContact O-OG1 3.15Å; Q225-T227 PolarHBondContact O-N 3.44Å
228	H	74.4	Confident	77.3	Confident	78 Å²	78	73.3 Å²	73.3	36%	0.361	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-47.8	172.3	-54	-48.8	0	0	0	111.2	D210 C211 H224 Q225 G230	D210-H228 HydrophobicContact CB-CB 4.43Å; D210-H228 IonicContact OD2-CD2 3.76Å; D210-H228 PolarHBondContact OD2-CD2 3.16Å; C211-H228 PolarHBondContact SG-NE2 3.42Å; H224-H228 AromaticContact CD2-NE2 3.86Å; H224-H228 AromaticContact CE1-CE1 3.77Å; H224-H228 AromaticContact CE1-NE2 3.66Å; H224-H228 AromaticContact NE2-CE1 3.69Å; H224-H228 AromaticContact NE2-NE2 3.26Å; H224-H228 PolarHBondContact NE2-NE2 3.33Å; Q225-H228 PolarHBondContact O-N 3.43Å; H228-G230 PolarHBondContact O-N 3.09Å
229	T	73.8	Confident	77.3	Confident	87 Å²	87	72.5 Å²	72.5	53%	0.534	39%	0.387	S	S	.	.	S	Bend	trans	-72.1	-8.8	177.2	65.8	0	0	0	0	113.6	Q225 E231	Q225-T229 PolarHBondContact O-N 2.94Å; T229-E231 PolarHBondContact O-N 3.35Å; T229-E231 VanDerWaalsContact O-N 3.09Å; T229-E231 WeakPolarHBondContact OG1-CB 3.24Å; T229-E231 WeakPolarHBondContact OG1-CG 3.19Å; T229-E231 PolarHBondContact OG1-OE1 2.65Å
230	G	74.3	Confident	77.1	Confident	41 Å²	41	77 Å²	77	42%	0.423	40%	0.4	S	S	.	.			trans	68.8	0.5	-176.5	0	0	0	0	0	114.8	R226 H228 K232	R226-G230 CarbonylContact O-C 3.47Å; R226-G230 PolarHBondContact O-N 3.4Å; H228-G230 PolarHBondContact O-N 3.09Å; G230-K232 WeakPolarHBondContact O-CG 3.13Å; G230-K232 PolarHBondContact O-N 3.25Å
231	E	73.9	Confident	76.9	Confident	98 Å²	98	80.8 Å²	80.8	46%	0.458	41%	0.414	S	S	.	.			trans	-53.7	120.6	-176.2	-87.7	175.2	-137.8	0	0	113	R226 T229 P233 T244	R226-E231 HydrophobicContact CB-CB 4.21Å; R226-E231 HydrophobicContact CG-CB 4.01Å; R226-E231 IonicContact NE-OE2 3.84Å; R226-E231 PolarHBondContact O-N 3.35Å; T229-E231 PolarHBondContact O-N 3.35Å; T229-E231 VanDerWaalsContact O-N 3.09Å; T229-E231 WeakPolarHBondContact OG1-CB 3.24Å; T229-E231 WeakPolarHBondContact OG1-CG 3.19Å; T229-E231 PolarHBondContact OG1-OE1 2.65Å; E231-P233 WeakPolarHBondContact O-CD 3.4Å; E231-T244 WeakPolarHBondContact O-CG2 3.47Å
232	K	79.9	Confident	76.9	Confident	111 Å²	111	81.4 Å²	81.4	48%	0.483	42%	0.422	S	S	.	.			trans	-125.4	76.1	175.9	-70	153	-175.7	169.2	0	109.8	G230 Y234 A242 F243 T244	G230-K232 WeakPolarHBondContact O-CG 3.13Å; G230-K232 PolarHBondContact O-N 3.25Å; K232-Y234 PolarHBondContact O-N 3.38Å; K232-Y234 VanDerWaalsContact O-N 3.12Å; K232-A242 HydrophobicContact CB-CB 3.43Å; K232-A242 VanDerWaalsContact CB-CB 3.43Å; K232-A242 HydrophobicContact CD-CB 4.11Å; K232-A242 WeakPolarHBondContact CD-O 3.27Å; K232-A242 HydrophobicContact CG-CB 4.29Å; K232-F243 CarbonylContact C-O 3.59Å; K232-F243 VanDerWaalsContact C-O 3.28Å; K232-F243 VanDerWaalsContact CA-O 3.32Å; K232-F243 WeakPolarHBondContact CA-O 3.44Å; K232-T244 HydrophobicContact CG-CG2 4.14Å
233	P	80.6	Confident	77.2	Confident	69 Å²	69	80.3 Å²	80.3	45%	0.448	41%	0.411	S	S	.	.			trans	-63.3	-21.1	-172.9	-23.1	34.9	0	0	0	114.1	E231 K235	E231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-K235 PolarHBondContact O-N 2.94Å
234	Y	80.1	Confident	77.1	Confident	78 Å²	78	78.1 Å²	78.1	31%	0.306	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	84.1	-173	-51.6	-75.5	0	0	0	110	K232 F243	K232-Y234 PolarHBondContact O-N 3.38Å; K232-Y234 VanDerWaalsContact O-N 3.12Å; Y234-F243 WeakPolarHBondContact CD2-O 3.18Å; Y234-F243 PolarHBondContact N-O 3.39Å; Y234-F243 VanDerWaalsContact N-O 3.15Å; Y234-F243 PolarHBondContact O-N 2.78Å
235	K	78.9	Confident	77.1	Confident	153 Å²	153	79.2 Å²	79.2	67%	0.665	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	140.5	176.4	-62.1	-173.2	178.4	-177.6	0	111.6	P233 A242 L249	P233-K235 PolarHBondContact O-N 2.94Å; K235-A242 HydrophobicContact CG-CB 3.9Å; K235-L249 WeakPolarHBondContact O-CD2 3.48Å
236	C	82.3	Confident	77.1	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.02	41%	0.412	C	S	.	.			trans	-84.8	123.8	171.6	-165	0	0	0	0	110.3	E238 E240 K241 L249 H256	C236-E238 VanDerWaalsContact C-N 3.29Å; C236-E238 PolarHBondContact O-N 3.3Å; C236-E240 WeakPolarHBondContact O-CA 3.29Å; C236-E240 PolarHBondContact O-N 3.44Å; C236-K241 VanDerWaalsContact CB-O 3.25Å; C236-K241 WeakPolarHBondContact CB-O 3.41Å; C236-K241 PolarHBondContact N-O 3Å; C236-L249 HydrophobicContact CB-CD1 3.59Å; C236-H256 VanDerWaalsContact SG-CD2 3.53Å; C236-H256 PolarHBondContact SG-NE2 3.45Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å
237	T	74.3	Confident	76.8	Confident	129 Å²	129	79 Å²	79	79%	0.791	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.2	-179.3	45.2	0	0	0	0	113.7
238	E	72	Confident	77.1	Confident	103 Å²	103	77.3 Å²	77.3	48%	0.481	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-18.1	-173.6	-63.2	163	116	0	0	114.4	C236 H256	C236-E238 VanDerWaalsContact C-N 3.29Å; C236-E238 PolarHBondContact O-N 3.3Å; E238-H256 HydrophobicContact CB-CB 4.46Å; E238-H256 IonicContact OE2-CD2 3.46Å; E238-H256 PolarHBondContact OE2-CD2 3.23Å; E238-H256 VanDerWaalsContact OE2-CD2 3.25Å; E238-H256 IonicContact OE2-CG 3.31Å
239	C	75.4	Confident	77.4	Confident	44 Å²	44	74.6 Å²	74.6	30%	0.297	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	20.3	178.6	85.8	0	0	0	0	114.2	K241 H252 H256	C239-K241 PolarHBondContact O-N 2.8Å; C239-H252 PolarHBondContact SG-NE2 3Å; C239-H256 PolarHBondContact SG-CE1 2.96Å; C239-H256 PolarHBondContact SG-NE2 3.24Å
240	E	71.1	Confident	77.5	Confident	169 Å²	169	74.6 Å²	74.6	79%	0.79	39%	0.392	S	S	*	.			trans	59.8	-7.1	175.4	-53.3	-168.8	140.3	0	0	117.6	C236 A242	C236-E240 WeakPolarHBondContact O-CA 3.29Å; C236-E240 PolarHBondContact O-N 3.44Å; E240-A242 PolarHBondContact O-N 3.19Å
241	K	74	Confident	77.4	Confident	125 Å²	125	77.4 Å²	77.4	54%	0.543	39%	0.393	S	S	.	.			trans	-58.2	124.7	-179.8	-73.6	176.3	-171.8	166.2	0	110.9	C236 C239 F243	C236-K241 VanDerWaalsContact CB-O 3.25Å; C236-K241 WeakPolarHBondContact CB-O 3.41Å; C236-K241 PolarHBondContact N-O 3Å; C239-K241 PolarHBondContact O-N 2.8Å; K241-F243 HydrophobicContact CB-CE2 3.9Å; K241-F243 HydrophobicContact CB-CZ 4.18Å; K241-F243 WeakPolarHBondContact O-CD2 3.48Å; K241-F243 VanDerWaalsContact O-CE2 3.24Å; K241-F243 WeakPolarHBondContact O-CE2 3.4Å
242	A	81.1	Confident	77.6	Confident	34 Å²	34	74 Å²	74	28%	0.281	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.4	-172.7	0	0	0	0	0	111.9	K232 K235 E240	K232-A242 HydrophobicContact CB-CB 3.43Å; K232-A242 VanDerWaalsContact CB-CB 3.43Å; K232-A242 HydrophobicContact CD-CB 4.11Å; K232-A242 WeakPolarHBondContact CD-O 3.27Å; K232-A242 HydrophobicContact CG-CB 4.29Å; K235-A242 HydrophobicContact CG-CB 3.9Å; E240-A242 PolarHBondContact O-N 3.19Å
243	F	82.4	Confident	77.3	Confident	52 Å²	52	71.6 Å²	71.6	23%	0.228	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.5	-174.8	-60.4	-93.3	0	0	0	112.1	K232 Y234 K241 Q245 N248 L249 H252	K232-F243 CarbonylContact C-O 3.59Å; K232-F243 VanDerWaalsContact C-O 3.28Å; K232-F243 VanDerWaalsContact CA-O 3.32Å; K232-F243 WeakPolarHBondContact CA-O 3.44Å; Y234-F243 WeakPolarHBondContact CD2-O 3.18Å; Y234-F243 PolarHBondContact N-O 3.39Å; Y234-F243 VanDerWaalsContact N-O 3.15Å; Y234-F243 PolarHBondContact O-N 2.78Å; K241-F243 HydrophobicContact CB-CE2 3.9Å; K241-F243 HydrophobicContact CB-CZ 4.18Å; K241-F243 WeakPolarHBondContact O-CD2 3.48Å; K241-F243 VanDerWaalsContact O-CE2 3.24Å; K241-F243 WeakPolarHBondContact O-CE2 3.4Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3.48Å; F243-N248 HydrophobicContact CB-CB 4.48Å; F243-N248 HydrophobicContact CD1-CB 4.04Å; F243-L249 HydrophobicContact CB-CB 4.42Å; F243-L249 HydrophobicContact CD2-CB 4.09Å; F243-L249 HydrophobicContact CD2-CD1 4.04Å; F243-L249 HydrophobicContact CE2-CD1 4.28Å; F243-L249 HydrophobicContact CG-CB 4.42Å; F243-H252 HydrophobicContact CE1-CB 4.21Å; F243-H252 HydrophobicContact CE2-CB 3.98Å; F243-H252 AromaticContact CE2-CD2 3.24Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.45Å; F243-H252 AromaticContact CE2-CG 3.75Å; F243-H252 HydrophobicContact CZ-CB 3.61Å; F243-H252 AromaticContact CZ-CD2 3.37Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.45Å; F243-H252 AromaticContact CZ-CG 3.43Å; F243-H252 VanDerWaalsContact CZ-CG 3.43Å
244	T	77.4	Confident	76.9	Confident	35 Å²	35	71.7 Å²	71.7	22%	0.215	36%	0.359	C	S	.	.	S	Bend	trans	-75	-15.1	176.3	56.6	0	0	0	0	113.3	R226 E231 K232	R226-T244 HydrophobicContact CB-CG2 4.38Å; R226-T244 PolarHBondContact NH1-O 3.18Å; E231-T244 WeakPolarHBondContact O-CG2 3.47Å; K232-T244 HydrophobicContact CG-CG2 4.14Å
245	Q	79	Confident	76.3	Confident	50 Å²	50	70.7 Å²	70.7	23%	0.234	36%	0.363	C	S	.	.	S	Bend	trans	-139.1	135.6	-176.8	-55.8	177.8	23.9	0	0	112	Q223 F243 T247 N248 L249	Q223-Q245 HydrophobicContact CG-CG 4.3Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3.48Å; Q245-T247 VanDerWaalsContact C-N 3.3Å; Q245-T247 PolarHBondContact O-N 2.98Å; Q245-N248 HydrophobicContact CB-CB 4.46Å; Q245-N248 PolarHBondContact O-N 2.82Å; Q245-N248 VanDerWaalsContact O-N 3.08Å; Q245-N248 PolarHBondContact OE1-ND2 2.89Å; Q245-L249 PolarHBondContact O-N 3.21Å
246	S	77.9	Confident	75.7	Confident	48 Å²	48	66.7 Å²	66.7	34%	0.336	35%	0.346	S	S	.	.	H	α-helix	trans	-58.3	-38.8	175.6	53.6	0	0	0	0	112.9	N248 L249 I250	S246-N248 PolarHBondContact O-N 3.14Å; S246-N248 VanDerWaalsContact O-N 3.17Å; S246-L249 PolarHBondContact O-N 3.36Å; S246-L249 VanDerWaalsContact O-N 3.17Å; S246-I250 WeakPolarHBondContact O-CG1 3.37Å; S246-I250 PolarHBondContact O-N 3.28Å
247	T	76.6	Confident	74.7	Confident	68 Å²	68	70 Å²	70	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-23.7	178.6	74	0	0	0	0	113	Q245 K251	Q245-T247 VanDerWaalsContact C-N 3.3Å; Q245-T247 PolarHBondContact O-N 2.98Å; T247-K251 VanDerWaalsContact O-CD 3.22Å; T247-K251 WeakPolarHBondContact O-CD 3.49Å; T247-K251 WeakPolarHBondContact O-CE 3.36Å; T247-K251 WeakPolarHBondContact O-CG 3.29Å; T247-K251 PolarHBondContact O-N 3.49Å; T247-K251 PolarHBondContact OG1-NZ 2.94Å
248	N	79.6	Confident	74.1	Confident	49 Å²	49	65.8 Å²	65.8	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-88.1	-33.8	177	-65.8	-25.3	0	0	0	111.6	F243 Q245 S246 K251 H252	F243-N248 HydrophobicContact CB-CB 4.48Å; F243-N248 HydrophobicContact CD1-CB 4.04Å; Q245-N248 HydrophobicContact CB-CB 4.46Å; Q245-N248 PolarHBondContact O-N 2.82Å; Q245-N248 VanDerWaalsContact O-N 3.08Å; Q245-N248 PolarHBondContact OE1-ND2 2.89Å; S246-N248 PolarHBondContact O-N 3.14Å; S246-N248 VanDerWaalsContact O-N 3.17Å; N248-K251 PolarHBondContact O-N 3.07Å; N248-K251 PolarHBondContact OD1-NZ 2.91Å; N248-H252 WeakPolarHBondContact O-CB 3.49Å; N248-H252 PolarHBondContact O-N 3.05Å
249	L	80.2	Confident	73.6	Confident	20 Å²	20	66.4 Å²	66.4	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-58.9	-48.3	166.4	174.1	61	0	0	0	111.2	K235 C236 F243 Q245 S246 K251 H252 Q253	K235-L249 WeakPolarHBondContact O-CD2 3.48Å; C236-L249 HydrophobicContact CB-CD1 3.59Å; F243-L249 HydrophobicContact CB-CB 4.42Å; F243-L249 HydrophobicContact CD2-CB 4.09Å; F243-L249 HydrophobicContact CD2-CD1 4.04Å; F243-L249 HydrophobicContact CE2-CD1 4.28Å; F243-L249 HydrophobicContact CG-CB 4.42Å; Q245-L249 PolarHBondContact O-N 3.21Å; S246-L249 PolarHBondContact O-N 3.36Å; S246-L249 VanDerWaalsContact O-N 3.17Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.43Å; L249-H252 CarbonylContact O-C 3.21Å; L249-H252 WeakPolarHBondContact O-CA 3.46Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 3.04Å; L249-Q253 HydrophobicContact CD1-CG 3.91Å; L249-Q253 HydrophobicContact CG-CG 4.3Å; L249-Q253 PolarHBondContact O-N 3.37Å
250	I	76.3	Confident	73.4	Confident	87 Å²	87	68.5 Å²	68.5	45%	0.446	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-36.9	179.4	-66.3	163.6	0	0	0	111.9	S246 H252	S246-I250 WeakPolarHBondContact O-CG1 3.37Å; S246-I250 PolarHBondContact O-N 3.28Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 2.92Å
251	K	72.8	Confident	73.5	Confident	101 Å²	101	63.9 Å²	63.9	44%	0.439	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-31.4	172.1	-70.4	161.6	-154.4	156.2	0	112.2	T247 N248 L249	T247-K251 VanDerWaalsContact O-CD 3.22Å; T247-K251 WeakPolarHBondContact O-CD 3.49Å; T247-K251 WeakPolarHBondContact O-CE 3.36Å; T247-K251 WeakPolarHBondContact O-CG 3.29Å; T247-K251 PolarHBondContact O-N 3.49Å; T247-K251 PolarHBondContact OG1-NZ 2.94Å; N248-K251 PolarHBondContact O-N 3.07Å; N248-K251 PolarHBondContact OD1-NZ 2.91Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 3.43Å
252	H	77.9	Confident	73.5	Confident	27 Å²	27	61.6 Å²	61.6	13%	0.125	33%	0.329	C	S	.	.	H	α-helix	trans	-80.5	-39.7	-179.9	172.6	50.4	0	0	0	113.1	C239 F243 N248 L249 I250 R254 S255 H256	C239-H252 PolarHBondContact SG-NE2 3Å; F243-H252 HydrophobicContact CE1-CB 4.21Å; F243-H252 HydrophobicContact CE2-CB 3.98Å; F243-H252 AromaticContact CE2-CD2 3.24Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.45Å; F243-H252 AromaticContact CE2-CG 3.75Å; F243-H252 HydrophobicContact CZ-CB 3.61Å; F243-H252 AromaticContact CZ-CD2 3.37Å; F243-H252 WeakPolarHBondContact CZ-CD2 3.45Å; F243-H252 AromaticContact CZ-CG 3.43Å; F243-H252 VanDerWaalsContact CZ-CG 3.43Å; N248-H252 WeakPolarHBondContact O-CB 3.49Å; N248-H252 PolarHBondContact O-N 3.05Å; L249-H252 CarbonylContact O-C 3.21Å; L249-H252 WeakPolarHBondContact O-CA 3.46Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 3.04Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 2.92Å; H252-R254 PolarHBondContact O-N 3.37Å; H252-S255 PolarHBondContact ND1-OG 3.29Å; H252-S255 WeakPolarHBondContact O-CA 3.42Å; H252-S255 WeakPolarHBondContact O-CB 3.45Å; H252-S255 PolarHBondContact O-N 3.36Å; H252-S255 PolarHBondContact O-OG 3.18Å; H252-H256 AromaticContact CD2-NE2 3.86Å; H252-H256 AromaticContact CE1-CE1 3.46Å; H252-H256 PolarHBondContact CE1-CE1 3.33Å; H252-H256 VanDerWaalsContact CE1-CE1 3.46Å; H252-H256 AromaticContact CE1-NE2 3.23Å; H252-H256 PolarHBondContact CE1-NE2 2.9Å; H252-H256 AromaticContact NE2-CE1 3.7Å; H252-H256 AromaticContact NE2-NE2 3.06Å; H252-H256 PolarHBondContact NE2-NE2 3.11Å
253	Q	73.1	Confident	73.1	Confident	59 Å²	59	67.5 Å²	67.5	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-35	177.4	-73	170.2	-60.9	0	0	112.1	L249 S255 H256 T257	L249-Q253 HydrophobicContact CD1-CG 3.91Å; L249-Q253 HydrophobicContact CG-CG 4.3Å; L249-Q253 PolarHBondContact O-N 3.37Å; Q253-S255 PolarHBondContact O-N 2.64Å; Q253-S255 VanDerWaalsContact O-N 3.08Å; Q253-H256 PolarHBondContact O-N 3.18Å; Q253-T257 PolarHBondContact O-N 3.23Å; Q253-T257 VanDerWaalsContact O-N 3.13Å
254	R	73.3	Confident	72.8	Confident	72 Å²	72	65.6 Å²	65.6	27%	0.272	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	170.9	-66.6	175.9	-177	177.9	1.4	114.7	H252 G258 Y272	H252-R254 PolarHBondContact O-N 3.37Å; R254-G258 PolarHBondContact O-N 3.4Å; R254-Y272 HydrophobicContact CB-CD1 4.09Å; R254-Y272 PolarHBondContact NH1-O 3.13Å; R254-Y272 WeakPolarHBondContact O-CE1 3.48Å
255	S	66.6	Low	72.5	Confident	57 Å²	57	67.8 Å²	67.8	40%	0.399	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.1	174.8	68.7	0	0	0	0	113.6	H252 Q253	H252-S255 PolarHBondContact ND1-OG 3.29Å; H252-S255 WeakPolarHBondContact O-CA 3.42Å; H252-S255 WeakPolarHBondContact O-CB 3.45Å; H252-S255 PolarHBondContact O-N 3.36Å; H252-S255 PolarHBondContact O-OG 3.18Å; Q253-S255 PolarHBondContact O-N 2.64Å; Q253-S255 VanDerWaalsContact O-N 3.08Å
256	H	65.7	Low	71.9	Confident	68 Å²	68	70.8 Å²	70.8	32%	0.315	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-48	174.3	-57.7	-45.2	0	0	0	111.7	C236 E238 C239 H252 Q253 G258	C236-H256 VanDerWaalsContact SG-CD2 3.53Å; C236-H256 PolarHBondContact SG-NE2 3.45Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å; E238-H256 HydrophobicContact CB-CB 4.46Å; E238-H256 IonicContact OE2-CD2 3.46Å; E238-H256 PolarHBondContact OE2-CD2 3.23Å; E238-H256 VanDerWaalsContact OE2-CD2 3.25Å; E238-H256 IonicContact OE2-CG 3.31Å; C239-H256 PolarHBondContact SG-CE1 2.96Å; C239-H256 PolarHBondContact SG-NE2 3.24Å; H252-H256 AromaticContact CD2-NE2 3.86Å; H252-H256 AromaticContact CE1-CE1 3.46Å; H252-H256 PolarHBondContact CE1-CE1 3.33Å; H252-H256 VanDerWaalsContact CE1-CE1 3.46Å; H252-H256 AromaticContact CE1-NE2 3.23Å; H252-H256 PolarHBondContact CE1-NE2 2.9Å; H252-H256 AromaticContact NE2-CE1 3.7Å; H252-H256 AromaticContact NE2-NE2 3.06Å; H252-H256 PolarHBondContact NE2-NE2 3.11Å; Q253-H256 PolarHBondContact O-N 3.18Å; H256-G258 PolarHBondContact O-N 3.38Å
257	T	62.9	Low	71.4	Confident	73 Å²	73	70.4 Å²	70.4	45%	0.448	38%	0.382	S	S	.	.	S	Bend	trans	-65.1	-10.8	177.8	65	0	0	0	0	113.4	Q253 E259	Q253-T257 PolarHBondContact O-N 3.23Å; Q253-T257 VanDerWaalsContact O-N 3.13Å; T257-E259 PolarHBondContact O-N 2.91Å; T257-E259 WeakPolarHBondContact OG1-CB 3.31Å; T257-E259 WeakPolarHBondContact OG1-CG 3.25Å; T257-E259 PolarHBondContact OG1-N 3.1Å; T257-E259 PolarHBondContact OG1-OE2 3.39Å
258	G	61.7	Low	71	Confident	40 Å²	40	79.7 Å²	79.7	41%	0.412	41%	0.409	S	S	.	.			trans	68.4	-1.8	-175.4	0	0	0	0	0	113.9	R254 H256 K260	R254-G258 PolarHBondContact O-N 3.4Å; H256-G258 PolarHBondContact O-N 3.38Å; G258-K260 PolarHBondContact O-N 3.24Å
259	E	61.3	Low	70.2	Confident	117 Å²	117	85.1 Å²	85.1	55%	0.547	43%	0.426	S	S	.	.			trans	-63.7	116.2	-175.8	-72.6	-175.1	139.6	0	0	111.1	T257 P261 Y272	T257-E259 PolarHBondContact O-N 2.91Å; T257-E259 WeakPolarHBondContact OG1-CB 3.31Å; T257-E259 WeakPolarHBondContact OG1-CG 3.25Å; T257-E259 PolarHBondContact OG1-N 3.1Å; T257-E259 PolarHBondContact OG1-OE2 3.39Å; E259-P261 WeakPolarHBondContact O-CD 3.49Å; E259-Y272 WeakPolarHBondContact O-CD1 3.36Å; E259-Y272 WeakPolarHBondContact O-CE1 3.46Å
260	K	70.6	Confident	69.9	Low	87 Å²	87	85.4 Å²	85.4	38%	0.378	43%	0.431	S	S	.	.			trans	-117.1	83.6	174.6	-70.9	159.3	174.6	179.5	0	108.1	G258 Y262 A270 F271 Y272	G258-K260 PolarHBondContact O-N 3.24Å; K260-Y262 PolarHBondContact O-N 2.9Å; K260-A270 HydrophobicContact CB-CB 3.45Å; K260-A270 VanDerWaalsContact CB-CB 3.45Å; K260-A270 HydrophobicContact CD-CB 4.1Å; K260-A270 WeakPolarHBondContact CD-O 3.38Å; K260-A270 HydrophobicContact CG-CB 4.32Å; K260-F271 CarbonylContact C-O 3.54Å; K260-F271 WeakPolarHBondContact CA-O 3.3Å; K260-Y272 HydrophobicContact CD-CE1 4.25Å; K260-Y272 WeakPolarHBondContact CE-OH 3.15Å; K260-Y272 HydrophobicContact CG-CD1 3.75Å; K260-Y272 HydrophobicContact CG-CE1 3.43Å; K260-Y272 VanDerWaalsContact CG-CE1 3.43Å; K260-Y272 HydrophobicContact CG-CE2 4.46Å; K260-Y272 HydrophobicContact CG-CG 4.37Å
261	P	74.2	Confident	70	Confident	72 Å²	72	83.3 Å²	83.3	47%	0.468	42%	0.419	S	S	.	.			trans	-62.3	-30.6	-174	-22.4	34	0	0	0	112.3	E259 K263	E259-P261 WeakPolarHBondContact O-CD 3.49Å; P261-K263 PolarHBondContact O-N 3.47Å; P261-K263 VanDerWaalsContact O-N 3.16Å
262	Y	74.1	Confident	69.8	Low	78 Å²	78	82.4 Å²	82.4	31%	0.306	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	78.2	-175.5	-52.5	-74.9	0	0	0	109.7	K260 A270 F271	K260-Y262 PolarHBondContact O-N 2.9Å; Y262-A270 CarbonylContact O-C 3.52Å; Y262-A270 WeakPolarHBondContact O-CA 3.4Å; Y262-F271 WeakPolarHBondContact CD2-O 3.32Å; Y262-F271 PolarHBondContact N-O 3.5Å; Y262-F271 PolarHBondContact O-N 3.2Å
263	K	72.4	Confident	69.5	Low	158 Å²	158	87.6 Å²	87.6	69%	0.687	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	140.5	174.6	-59.4	179.5	-179.5	173.9	0	110.2	P261 A270 L277	P261-K263 PolarHBondContact O-N 3.47Å; P261-K263 VanDerWaalsContact O-N 3.16Å; K263-A270 HydrophobicContact CB-CB 4.23Å; K263-A270 HydrophobicContact CG-CB 3.79Å; K263-L277 WeakPolarHBondContact O-CD2 3.5Å
264	C	75.6	Confident	69.5	Low	12 Å²	12	87.4 Å²	87.4	8%	0.081	44%	0.437	C	S	.	.			trans	-79.9	139.8	168.5	-177.8	0	0	0	0	109.7	C267 R269 L277 H284	C264-C267 WeakPolarHBondContact CB-O 3.38Å; C264-C267 VanDerWaalsContact O-O 3.04Å; C264-R269 WeakPolarHBondContact CB-O 3.42Å; C264-R269 PolarHBondContact N-O 3.49Å; C264-L277 HydrophobicContact CB-CD1 3.71Å; C264-H284 VanDerWaalsContact SG-CD2 3.53Å; C264-H284 PolarHBondContact SG-NE2 3.24Å; C264-H284 VanDerWaalsContact SG-NE2 3.37Å
265	G	70.9	Confident	69.4	Low	81 Å²	81	87 Å²	87	84%	0.835	45%	0.445	S	S	*	.	S	Bend	trans	-76.7	-35.5	174.9	0	0	0	0	0	112.8
266	E	66.5	Low	69.7	Low	113 Å²	113	86 Å²	86	53%	0.528	44%	0.435	S	S	.	.	S	Bend	trans	-82.7	-19.9	-172.8	-62.5	150.4	146.4	0	0	113	H284	E266-H284 IonicContact OE2-CD2 2.87Å; E266-H284 PolarHBondContact OE2-CD2 2.8Å; E266-H284 VanDerWaalsContact OE2-CD2 3.27Å; E266-H284 IonicContact OE2-CG 3.79Å
267	C	66.7	Low	70.2	Confident	40 Å²	40	83.8 Å²	83.8	27%	0.27	43%	0.425	S	S	.	.	S	Bend	trans	-150.3	159	173	88.1	0	0	0	0	112.3	C264 R269 H280 H284	C264-C267 WeakPolarHBondContact CB-O 3.38Å; C264-C267 VanDerWaalsContact O-O 3.04Å; C267-R269 PolarHBondContact O-N 3.48Å; C267-H280 PolarHBondContact SG-NE2 2.9Å; C267-H284 VanDerWaalsContact SG-CE1 3.56Å; C267-H284 PolarHBondContact SG-NE2 3.09Å
268	R	68.2	Low	70.5	Confident	262 Å²	262	85.5 Å²	85.5	99%	0.989	43%	0.431	S	S	*	.	S	Bend	trans	-69.8	17.6	-176	-57.4	-176.5	-178.2	-174.6	0.3	115.3
269	R	63.8	Low	70.8	Confident	164 Å²	164	87.4 Å²	87.4	62%	0.619	43%	0.429	S	S	*	.			trans	-85.5	144.8	173.1	-75.3	-176.5	149.4	172	-4.8	111.1	C264 C267 F271	C264-R269 WeakPolarHBondContact CB-O 3.42Å; C264-R269 PolarHBondContact N-O 3.49Å; C267-R269 PolarHBondContact O-N 3.48Å; R269-F271 HydrophobicContact CB-CE2 3.85Å; R269-F271 HydrophobicContact CB-CZ 4Å
270	A	73.9	Confident	71.5	Confident	26 Å²	26	82.6 Å²	82.6	22%	0.215	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.3	179	0	0	0	0	0	110.9	K260 Y262 K263	K260-A270 HydrophobicContact CB-CB 3.45Å; K260-A270 VanDerWaalsContact CB-CB 3.45Å; K260-A270 HydrophobicContact CD-CB 4.1Å; K260-A270 WeakPolarHBondContact CD-O 3.38Å; K260-A270 HydrophobicContact CG-CB 4.32Å; Y262-A270 CarbonylContact O-C 3.52Å; Y262-A270 WeakPolarHBondContact O-CA 3.4Å; K263-A270 HydrophobicContact CB-CB 4.23Å; K263-A270 HydrophobicContact CG-CB 3.79Å
271	F	77.8	Confident	71.3	Confident	42 Å²	42	81.9 Å²	81.9	18%	0.184	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.6	-165.3	-58.8	-94.6	0	0	0	112	K260 Y262 R269 D276 L277 H280	K260-F271 CarbonylContact C-O 3.54Å; K260-F271 WeakPolarHBondContact CA-O 3.3Å; Y262-F271 WeakPolarHBondContact CD2-O 3.32Å; Y262-F271 PolarHBondContact N-O 3.5Å; Y262-F271 PolarHBondContact O-N 3.2Å; R269-F271 HydrophobicContact CB-CE2 3.85Å; R269-F271 HydrophobicContact CB-CZ 4Å; F271-D276 HydrophobicContact CB-CB 4.15Å; F271-D276 HydrophobicContact CD1-CB 3.83Å; F271-D276 HydrophobicContact CG-CB 4.26Å; F271-L277 HydrophobicContact CB-CB 4.31Å; F271-L277 HydrophobicContact CD2-CB 4.04Å; F271-L277 HydrophobicContact CD2-CD1 4.02Å; F271-L277 HydrophobicContact CE2-CD1 4.32Å; F271-L277 HydrophobicContact CG-CB 4.34Å; F271-H280 HydrophobicContact CE1-CB 4.1Å; F271-H280 HydrophobicContact CE2-CB 3.94Å; F271-H280 AromaticContact CE2-CD2 3.22Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.42Å; F271-H280 AromaticContact CE2-CG 3.74Å; F271-H280 HydrophobicContact CZ-CB 3.56Å; F271-H280 AromaticContact CZ-CD2 3.29Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.49Å; F271-H280 AromaticContact CZ-CG 3.38Å
272	Y	68.1	Low	71	Confident	82 Å²	82	79.1 Å²	79.1	32%	0.322	39%	0.388	S	S	.	.	S	Bend	trans	-83.6	-14.6	180	-56.7	-69.5	0	0	0	113.4	R254 E259 K260	R254-Y272 HydrophobicContact CB-CD1 4.09Å; R254-Y272 PolarHBondContact NH1-O 3.13Å; R254-Y272 WeakPolarHBondContact O-CE1 3.48Å; E259-Y272 WeakPolarHBondContact O-CD1 3.36Å; E259-Y272 WeakPolarHBondContact O-CE1 3.46Å; K260-Y272 HydrophobicContact CD-CE1 4.25Å; K260-Y272 WeakPolarHBondContact CE-OH 3.15Å; K260-Y272 HydrophobicContact CG-CD1 3.75Å; K260-Y272 HydrophobicContact CG-CE1 3.43Å; K260-Y272 VanDerWaalsContact CG-CE1 3.43Å; K260-Y272 HydrophobicContact CG-CE2 4.46Å; K260-Y272 HydrophobicContact CG-CG 4.37Å
273	R	72.2	Confident	70.6	Confident	136 Å²	136	79.9 Å²	79.9	51%	0.513	40%	0.401	S	S	.	.	S	Bend	trans	-134.4	144.6	179.6	-60.4	-179.6	-68.4	-160.9	-1	110.5	S275 D276 L277	R273-S275 VanDerWaalsContact C-N 3.35Å; R273-S275 WeakPolarHBondContact CB-OG 3.22Å; R273-D276 HydrophobicContact CB-CB 4.46Å; R273-D276 IonicContact CZ-OD1 3.67Å; R273-D276 IonicContact CZ-OD2 3.71Å; R273-D276 VanDerWaalsContact NE-CG 3.3Å; R273-D276 IonicContact NE-OD1 3.15Å; R273-D276 PolarHBondContact NE-OD1 2.6Å; R273-D276 IonicContact NE-OD2 2.73Å; R273-D276 PolarHBondContact NE-OD2 2.79Å; R273-D276 IonicContact NH2-OD1 3.69Å; R273-D276 PolarHBondContact NH2-OD1 2.75Å; R273-D276 IonicContact NH2-OD2 3.89Å; R273-D276 PolarHBondContact NH2-OD2 2.83Å; R273-D276 PolarHBondContact O-N 3.28Å; R273-L277 PolarHBondContact O-N 3.21Å
274	S	73.3	Confident	70.1	Confident	56 Å²	56	76 Å²	76	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-37.6	175	46.4	0	0	0	0	112.8	D276 L277 I278	S274-D276 PolarHBondContact O-N 2.81Å; S274-L277 PolarHBondContact O-N 2.86Å; S274-I278 VanDerWaalsContact O-CG1 3.32Å; S274-I278 WeakPolarHBondContact O-CG1 3.47Å; S274-I278 PolarHBondContact O-N 3.36Å
275	S	71.2	Confident	69.5	Low	62 Å²	62	78.8 Å²	78.8	43%	0.434	40%	0.402	S	S	.	.	H	α-helix	trans	-51.8	-40.6	173.7	49.5	0	0	0	0	112.9	R273 Q279	R273-S275 VanDerWaalsContact C-N 3.35Å; R273-S275 WeakPolarHBondContact CB-OG 3.22Å; S275-Q279 WeakPolarHBondContact O-CB 3.37Å; S275-Q279 PolarHBondContact O-N 3.41Å
276	D	73.5	Confident	69	Low	38 Å²	38	77.4 Å²	77.4	20%	0.203	39%	0.388	C	S	.	.	H	α-helix	trans	-81.2	-32.8	-172.5	-53.7	9.8	0	0	0	110.2	F271 R273 S274 H280	F271-D276 HydrophobicContact CB-CB 4.15Å; F271-D276 HydrophobicContact CD1-CB 3.83Å; F271-D276 HydrophobicContact CG-CB 4.26Å; R273-D276 HydrophobicContact CB-CB 4.46Å; R273-D276 IonicContact CZ-OD1 3.67Å; R273-D276 IonicContact CZ-OD2 3.71Å; R273-D276 VanDerWaalsContact NE-CG 3.3Å; R273-D276 IonicContact NE-OD1 3.15Å; R273-D276 PolarHBondContact NE-OD1 2.6Å; R273-D276 IonicContact NE-OD2 2.73Å; R273-D276 PolarHBondContact NE-OD2 2.79Å; R273-D276 IonicContact NH2-OD1 3.69Å; R273-D276 PolarHBondContact NH2-OD1 2.75Å; R273-D276 IonicContact NH2-OD2 3.89Å; R273-D276 PolarHBondContact NH2-OD2 2.83Å; R273-D276 PolarHBondContact O-N 3.28Å; S274-D276 PolarHBondContact O-N 2.81Å; D276-H280 VanDerWaalsContact O-CB 3.31Å; D276-H280 WeakPolarHBondContact O-CB 3.32Å; D276-H280 PolarHBondContact O-N 3.14Å; D276-H280 VanDerWaalsContact O-N 3.07Å
277	L	75.2	Confident	68.6	Low	20 Å²	20	77.3 Å²	77.3	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-65.2	-48.8	168.4	172	62.8	0	0	0	111.2	K263 C264 F271 R273 S274 Q279 H280 Q281	K263-L277 WeakPolarHBondContact O-CD2 3.5Å; C264-L277 HydrophobicContact CB-CD1 3.71Å; F271-L277 HydrophobicContact CB-CB 4.31Å; F271-L277 HydrophobicContact CD2-CB 4.04Å; F271-L277 HydrophobicContact CD2-CD1 4.02Å; F271-L277 HydrophobicContact CE2-CD1 4.32Å; F271-L277 HydrophobicContact CG-CB 4.34Å; R273-L277 PolarHBondContact O-N 3.21Å; S274-L277 PolarHBondContact O-N 2.86Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; L277-H280 CarbonylContact O-C 3.51Å; L277-H280 WeakPolarHBondContact O-CA 3.41Å; L277-H280 WeakPolarHBondContact O-CB 3.27Å; L277-H280 PolarHBondContact O-N 2.83Å; L277-Q281 HydrophobicContact CD1-CG 3.98Å; L277-Q281 HydrophobicContact CG-CG 4.38Å; L277-Q281 WeakPolarHBondContact O-CG 3.33Å; L277-Q281 PolarHBondContact O-N 3.46Å
278	I	70.1	Confident	68.7	Low	109 Å²	109	80.6 Å²	80.6	56%	0.559	40%	0.397	S	S	*	.	H	α-helix	trans	-60.7	-44.4	-179.7	-67.9	162.8	0	0	0	110.4	S274 H280 Q281 A282	S274-I278 VanDerWaalsContact O-CG1 3.32Å; S274-I278 WeakPolarHBondContact O-CG1 3.47Å; S274-I278 PolarHBondContact O-N 3.36Å; I278-H280 PolarHBondContact O-N 2.84Å; I278-Q281 PolarHBondContact O-N 3.26Å; I278-A282 PolarHBondContact O-N 3.29Å
279	Q	67.9	Low	68.8	Low	80 Å²	80	71.8 Å²	71.8	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-31.2	173.4	-179.1	174.6	-4.2	0	0	112.7	S275 L277 Q301	S275-Q279 WeakPolarHBondContact O-CB 3.37Å; S275-Q279 PolarHBondContact O-N 3.41Å; L277-Q279 VanDerWaalsContact C-N 3.33Å; L277-Q279 PolarHBondContact O-N 3.2Å; Q279-Q301 VanDerWaalsContact CD-NE2 3.31Å; Q279-Q301 VanDerWaalsContact NE2-NE2 3.2Å
280	H	74.8	Confident	69.1	Low	16 Å²	16	68.3 Å²	68.3	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-79.7	-34.3	176.7	176.1	49.7	0	0	0	113.4	C267 F271 D276 L277 I278 A282 T283 H284	C267-H280 PolarHBondContact SG-NE2 2.9Å; F271-H280 HydrophobicContact CE1-CB 4.1Å; F271-H280 HydrophobicContact CE2-CB 3.94Å; F271-H280 AromaticContact CE2-CD2 3.22Å; F271-H280 WeakPolarHBondContact CE2-CD2 3.42Å; F271-H280 AromaticContact CE2-CG 3.74Å; F271-H280 HydrophobicContact CZ-CB 3.56Å; F271-H280 AromaticContact CZ-CD2 3.29Å; F271-H280 WeakPolarHBondContact CZ-CD2 3.49Å; F271-H280 AromaticContact CZ-CG 3.38Å; D276-H280 VanDerWaalsContact O-CB 3.31Å; D276-H280 WeakPolarHBondContact O-CB 3.32Å; D276-H280 PolarHBondContact O-N 3.14Å; D276-H280 VanDerWaalsContact O-N 3.07Å; L277-H280 CarbonylContact O-C 3.51Å; L277-H280 WeakPolarHBondContact O-CA 3.41Å; L277-H280 WeakPolarHBondContact O-CB 3.27Å; L277-H280 PolarHBondContact O-N 2.83Å; I278-H280 PolarHBondContact O-N 2.84Å; H280-A282 VanDerWaalsContact C-N 3.26Å; H280-A282 PolarHBondContact O-N 2.91Å; H280-T283 PolarHBondContact ND1-OG1 2.85Å; H280-T283 WeakPolarHBondContact O-CA 3.48Å; H280-T283 WeakPolarHBondContact O-CB 3.45Å; H280-T283 PolarHBondContact O-N 3.13Å; H280-T283 PolarHBondContact O-OG1 2.92Å; H280-H284 AromaticContact CD2-NE2 3.75Å; H280-H284 AromaticContact CE1-CE1 3.44Å; H280-H284 PolarHBondContact CE1-CE1 2.78Å; H280-H284 VanDerWaalsContact CE1-CE1 3.44Å; H280-H284 AromaticContact CE1-NE2 3.19Å; H280-H284 PolarHBondContact CE1-NE2 3.2Å; H280-H284 AromaticContact NE2-CE1 3.65Å; H280-H284 AromaticContact NE2-NE2 3.02Å; H280-H284 PolarHBondContact NE2-NE2 2.69Å
281	Q	67.8	Low	69	Low	72 Å²	72	73.4 Å²	73.4	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-38.3	172.9	-70.7	174.1	-75.9	0	0	110.7	L277 I278 T283 H284 T285	L277-Q281 HydrophobicContact CD1-CG 3.98Å; L277-Q281 HydrophobicContact CG-CG 4.38Å; L277-Q281 WeakPolarHBondContact O-CG 3.33Å; L277-Q281 PolarHBondContact O-N 3.46Å; I278-Q281 PolarHBondContact O-N 3.26Å; Q281-T283 PolarHBondContact O-N 3.34Å; Q281-H284 PolarHBondContact O-N 3.3Å; Q281-T285 PolarHBondContact O-N 3.2Å; Q281-T285 VanDerWaalsContact O-N 3.17Å; Q281-T285 PolarHBondContact O-OG1 3.31Å
282	A	67.3	Low	69	Low	14 Å²	14	71.4 Å²	71.4	12%	0.116	37%	0.369	C	S	.	.	H	α-helix	trans	-62.2	-2.2	168	0	0	0	0	0	115.2	I278 H280 E287	I278-A282 PolarHBondContact O-N 3.29Å; H280-A282 VanDerWaalsContact C-N 3.26Å; H280-A282 PolarHBondContact O-N 2.91Å; A282-E287 WeakPolarHBondContact CB-O 3.48Å
283	T	65.3	Low	69.2	Low	95 Å²	95	72 Å²	72	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-99.1	-14.5	168.4	66.6	0	0	0	0	114.1	H280 Q281	H280-T283 PolarHBondContact ND1-OG1 2.85Å; H280-T283 WeakPolarHBondContact O-CA 3.48Å; H280-T283 WeakPolarHBondContact O-CB 3.45Å; H280-T283 PolarHBondContact O-N 3.13Å; H280-T283 PolarHBondContact O-OG1 2.92Å; Q281-T283 PolarHBondContact O-N 3.34Å
284	H	62.7	Low	69.2	Low	76 Å²	76	70.6 Å²	70.6	35%	0.352	38%	0.383	S	S	.	.	H	α-helix	trans	-92.1	-47.1	173.1	-60.5	-53.9	0	0	0	111.4	C264 E266 C267 H280 Q281 G286	C264-H284 VanDerWaalsContact SG-CD2 3.53Å; C264-H284 PolarHBondContact SG-NE2 3.24Å; C264-H284 VanDerWaalsContact SG-NE2 3.37Å; E266-H284 IonicContact OE2-CD2 2.87Å; E266-H284 PolarHBondContact OE2-CD2 2.8Å; E266-H284 VanDerWaalsContact OE2-CD2 3.27Å; E266-H284 IonicContact OE2-CG 3.79Å; C267-H284 VanDerWaalsContact SG-CE1 3.56Å; C267-H284 PolarHBondContact SG-NE2 3.09Å; H280-H284 AromaticContact CD2-NE2 3.75Å; H280-H284 AromaticContact CE1-CE1 3.44Å; H280-H284 PolarHBondContact CE1-CE1 2.78Å; H280-H284 VanDerWaalsContact CE1-CE1 3.44Å; H280-H284 AromaticContact CE1-NE2 3.19Å; H280-H284 PolarHBondContact CE1-NE2 3.2Å; H280-H284 AromaticContact NE2-CE1 3.65Å; H280-H284 AromaticContact NE2-NE2 3.02Å; H280-H284 PolarHBondContact NE2-NE2 2.69Å; Q281-H284 PolarHBondContact O-N 3.3Å; H284-G286 PolarHBondContact O-N 3.18Å
285	T	61.9	Low	69.1	Low	71 Å²	71	70.4 Å²	70.4	44%	0.436	38%	0.381	S	S	.	.	S	Bend	trans	-72.6	-11.1	178.6	64.5	0	0	0	0	113.4	Q281 E287	Q281-T285 PolarHBondContact O-N 3.2Å; Q281-T285 VanDerWaalsContact O-N 3.17Å; Q281-T285 PolarHBondContact O-OG1 3.31Å; T285-E287 PolarHBondContact O-N 3.07Å; T285-E287 WeakPolarHBondContact OG1-CB 3.29Å; T285-E287 PolarHBondContact OG1-N 2.91Å
286	G	61.3	Low	69.1	Low	52 Å²	52	69.1 Å²	69.1	54%	0.536	38%	0.377	S	S	.	.			trans	68.2	-6	-169.2	0	0	0	0	0	114.2	H284 K288	H284-G286 PolarHBondContact O-N 3.18Å; G286-K288 VanDerWaalsContact C-N 3.31Å; G286-K288 PolarHBondContact O-N 3.5Å
287	E	58.1	Low	69	Low	111 Å²	111	73.3 Å²	73.3	52%	0.519	39%	0.393	S	S	.	.			trans	-76	79.3	-175.8	-62.6	-160.8	112.1	0	0	112.3	A282 T285 P289	A282-E287 WeakPolarHBondContact CB-O 3.48Å; T285-E287 PolarHBondContact O-N 3.07Å; T285-E287 WeakPolarHBondContact OG1-CB 3.29Å; T285-E287 PolarHBondContact OG1-N 2.91Å; E287-P289 WeakPolarHBondContact O-CD 3.27Å; E287-P289 WeakPolarHBondContact O-CG 3.43Å; E287-P289 VanDerWaalsContact O-N 3.13Å
288	K	68.8	Low	68.9	Low	108 Å²	108	77.7 Å²	77.7	47%	0.47	41%	0.409	S	S	.	.			trans	-59.4	108.2	157.9	-68.9	-177.1	-164.3	170	0	108.2	G286 Y290 R298 F299	G286-K288 VanDerWaalsContact C-N 3.31Å; G286-K288 PolarHBondContact O-N 3.5Å; K288-Y290 VanDerWaalsContact C-N 3.32Å; K288-Y290 PolarHBondContact O-N 3.15Å; K288-R298 HydrophobicContact CB-CB 3.5Å; K288-R298 VanDerWaalsContact CB-CB 3.5Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 WeakPolarHBondContact CD-O 3.43Å; K288-R298 HydrophobicContact CG-CB 4.49Å; K288-R298 PolarHBondContact O-NE 3.49Å; K288-R298 PolarHBondContact O-NH2 3Å; K288-R298 VanDerWaalsContact O-NH2 3.12Å; K288-F299 CarbonylContact C-O 3.18Å
289	P	69.3	Low	69	Low	77 Å²	77	74.7 Å²	74.7	50%	0.5	39%	0.392	S	S	.	.	S	Bend	trans	-72.3	-27.8	-165.5	-21	35	0	0	0	113.2	E287 K291	E287-P289 WeakPolarHBondContact O-CD 3.27Å; E287-P289 WeakPolarHBondContact O-CG 3.43Å; E287-P289 VanDerWaalsContact O-N 3.13Å; P289-K291 PolarHBondContact O-N 3.4Å
290	Y	71.8	Confident	69	Low	92 Å²	92	72.4 Å²	72.4	36%	0.361	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	87.4	-170.8	-55.1	-81.8	0	0	0	109.8	K288 R298 F299 N302	K288-Y290 VanDerWaalsContact C-N 3.32Å; K288-Y290 PolarHBondContact O-N 3.15Å; Y290-R298 CarbonylContact O-C 3.56Å; Y290-R298 WeakPolarHBondContact O-CA 3.29Å; Y290-F299 WeakPolarHBondContact CB-O 3.29Å; Y290-F299 WeakPolarHBondContact CD2-O 3.38Å; Y290-F299 PolarHBondContact N-O 3.16Å; Y290-F299 VanDerWaalsContact N-O 3.1Å; Y290-F299 PolarHBondContact O-N 2.97Å; Y290-N302 HydrophobicContact CD1-CB 3.64Å; Y290-N302 WeakPolarHBondContact CD1-OD1 3.5Å; Y290-N302 HydrophobicContact CE1-CB 3.47Å; Y290-N302 VanDerWaalsContact CE1-CB 3.47Å; Y290-N302 HydrophobicContact CE2-CB 4.42Å; Y290-N302 HydrophobicContact CG-CB 4.2Å
291	K	70.9	Confident	68.8	Low	132 Å²	132	74.4 Å²	74.4	57%	0.574	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.1	175.1	-175.7	-175.7	173.6	-172.2	0	110.5	P289 R298	P289-K291 PolarHBondContact O-N 3.4Å; K291-R298 HydrophobicContact CB-CG 4.12Å; K291-R298 HydrophobicContact CG-CG 4.15Å
292	C	77.9	Confident	69.1	Low	0 Å²	0	74.6 Å²	74.6	0%	0	40%	0.402	C	S	.	.			trans	-72.4	127.1	165.6	174.3	0	0	0	0	110.1	G296 K297 F299 L305 H312	C292-G296 VanDerWaalsContact O-CA 3.26Å; C292-G296 WeakPolarHBondContact O-CA 3.45Å; C292-G296 PolarHBondContact O-N 3.19Å; C292-K297 VanDerWaalsContact CB-O 3.26Å; C292-K297 WeakPolarHBondContact CB-O 3.48Å; C292-K297 PolarHBondContact N-O 2.81Å; C292-F299 HydrophobicContact CB-CE2 4.43Å; C292-L305 HydrophobicContact CB-CD1 3.66Å; C292-H312 PolarHBondContact SG-NE2 2.83Å
293	P	72.4	Confident	69.4	Low	94 Å²	94	78.6 Å²	78.6	61%	0.61	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-43	178.4	25.5	-32	0	0	0	111.7
294	E	72.1	Confident	70	Confident	108 Å²	108	76.8 Å²	76.8	51%	0.505	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-26.7	-168	-62.1	139.3	-76	0	0	114.8	H312	E294-H312 IonicContact OE1-CD2 2.82Å; E294-H312 WeakPolarHBondContact OE2-CB 3.5Å; E294-H312 IonicContact OE2-CD2 2.73Å; E294-H312 IonicContact OE2-CG 3.21Å
295	C	70.3	Confident	70.7	Confident	52 Å²	52	73.8 Å²	73.8	35%	0.351	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	12	179.9	77.8	0	0	0	0	114.7	K297 H308 H312	C295-K297 PolarHBondContact O-N 3.23Å; C295-K297 VanDerWaalsContact SG-CG 3.6Å; C295-H308 PolarHBondContact SG-NE2 2.7Å; C295-H312 PolarHBondContact SG-CE1 3.16Å; C295-H312 PolarHBondContact SG-NE2 3.48Å
296	G	71.6	Confident	71.4	Confident	34 Å²	34	75 Å²	75	35%	0.351	39%	0.394	S	S	.	.			trans	68.7	-12.6	176.5	0	0	0	0	0	116.8	C292 R298	C292-G296 VanDerWaalsContact O-CA 3.26Å; C292-G296 WeakPolarHBondContact O-CA 3.45Å; C292-G296 PolarHBondContact O-N 3.19Å; G296-R298 PolarHBondContact O-N 3.03Å
297	K	72.1	Confident	72	Confident	126 Å²	126	77.1 Å²	77.1	55%	0.548	39%	0.389	S	S	.	.			trans	-56.4	124.1	-179.3	-70.9	175.8	-172.7	165.2	0	110.7	C292 C295 F299	C292-K297 VanDerWaalsContact CB-O 3.26Å; C292-K297 WeakPolarHBondContact CB-O 3.48Å; C292-K297 PolarHBondContact N-O 2.81Å; C295-K297 PolarHBondContact O-N 3.23Å; C295-K297 VanDerWaalsContact SG-CG 3.6Å; K297-F299 HydrophobicContact CB-CE2 3.86Å; K297-F299 HydrophobicContact CB-CZ 4.12Å; K297-F299 WeakPolarHBondContact O-CD2 3.35Å; K297-F299 VanDerWaalsContact O-CE2 3.26Å; K297-F299 WeakPolarHBondContact O-CE2 3.15Å
298	R	71.8	Confident	72.9	Confident	113 Å²	113	72.5 Å²	72.5	43%	0.426	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.1	-179.6	-55.6	177.9	68.1	163.7	1	111.3	K288 Y290 K291 G296	K288-R298 HydrophobicContact CB-CB 3.5Å; K288-R298 VanDerWaalsContact CB-CB 3.5Å; K288-R298 HydrophobicContact CD-CB 4.21Å; K288-R298 WeakPolarHBondContact CD-O 3.43Å; K288-R298 HydrophobicContact CG-CB 4.49Å; K288-R298 PolarHBondContact O-NE 3.49Å; K288-R298 PolarHBondContact O-NH2 3Å; K288-R298 VanDerWaalsContact O-NH2 3.12Å; Y290-R298 CarbonylContact O-C 3.56Å; Y290-R298 WeakPolarHBondContact O-CA 3.29Å; K291-R298 HydrophobicContact CB-CG 4.12Å; K291-R298 HydrophobicContact CG-CG 4.15Å; G296-R298 PolarHBondContact O-N 3.03Å
299	F	73.7	Confident	73.2	Confident	46 Å²	46	70.3 Å²	70.3	20%	0.202	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.6	-179.4	-61.1	-92.6	0	0	0	111.4	K288 Y290 C292 K297 Q301 N304 L305 H308	K288-F299 CarbonylContact C-O 3.18Å; Y290-F299 WeakPolarHBondContact CB-O 3.29Å; Y290-F299 WeakPolarHBondContact CD2-O 3.38Å; Y290-F299 PolarHBondContact N-O 3.16Å; Y290-F299 VanDerWaalsContact N-O 3.1Å; Y290-F299 PolarHBondContact O-N 2.97Å; C292-F299 HydrophobicContact CB-CE2 4.43Å; K297-F299 HydrophobicContact CB-CE2 3.86Å; K297-F299 HydrophobicContact CB-CZ 4.12Å; K297-F299 WeakPolarHBondContact O-CD2 3.35Å; K297-F299 VanDerWaalsContact O-CE2 3.26Å; K297-F299 WeakPolarHBondContact O-CE2 3.15Å; F299-Q301 VanDerWaalsContact C-N 3.32Å; F299-N304 HydrophobicContact CB-CB 4.46Å; F299-N304 HydrophobicContact CD1-CB 3.95Å; F299-N304 HydrophobicContact CG-CB 4.49Å; F299-L305 HydrophobicContact CB-CB 4.3Å; F299-L305 HydrophobicContact CD2-CB 4.03Å; F299-L305 HydrophobicContact CD2-CD1 4.06Å; F299-L305 HydrophobicContact CE2-CD1 4.31Å; F299-L305 HydrophobicContact CG-CB 4.31Å; F299-H308 HydrophobicContact CE1-CB 4.03Å; F299-H308 HydrophobicContact CE2-CB 3.95Å; F299-H308 AromaticContact CE2-CD2 3.2Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.01Å; F299-H308 AromaticContact CE2-CG 3.64Å; F299-H308 AromaticContact CE2-NE2 3.94Å; F299-H308 HydrophobicContact CZ-CB 3.53Å; F299-H308 AromaticContact CZ-CD2 3.33Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.34Å; F299-H308 AromaticContact CZ-CG 3.29Å; F299-H308 AromaticContact CZ-ND1 3.95Å; F299-H308 AromaticContact CZ-NE2 3.98Å
300	G	66.5	Low	73.6	Confident	31 Å²	31	70.4 Å²	70.4	32%	0.32	35%	0.351	S	S	.	.	S	Bend	trans	-81.9	-5.3	178.7	0	0	0	0	0	114.8
301	Q	71.9	Confident	73.5	Confident	59 Å²	59	70.8 Å²	70.8	28%	0.276	36%	0.359	S	S	.	.	S	Bend	trans	-147.4	134.8	-177.8	-66.5	174.7	-36.6	0	0	109.9	Q279 F299 H303 N304 L305	Q279-Q301 VanDerWaalsContact CD-NE2 3.31Å; Q279-Q301 VanDerWaalsContact NE2-NE2 3.2Å; F299-Q301 VanDerWaalsContact C-N 3.32Å; Q301-H303 VanDerWaalsContact C-N 3.32Å; Q301-H303 PolarHBondContact O-N 2.99Å; Q301-H303 PolarHBondContact OE1-CE1 2.98Å; Q301-H303 PolarHBondContact OE1-NE2 3.03Å; Q301-N304 PolarHBondContact O-N 3.13Å; Q301-N304 VanDerWaalsContact O-N 3.1Å; Q301-N304 PolarHBondContact OE1-ND2 3.26Å; Q301-L305 PolarHBondContact O-N 3.42Å
302	N	73.1	Confident	73.5	Confident	75 Å²	75	67.8 Å²	67.8	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-39.5	-174.7	-161.6	25.3	0	0	0	113.6	Y290 N304 L305 L306	Y290-N302 HydrophobicContact CD1-CB 3.64Å; Y290-N302 WeakPolarHBondContact CD1-OD1 3.5Å; Y290-N302 HydrophobicContact CE1-CB 3.47Å; Y290-N302 VanDerWaalsContact CE1-CB 3.47Å; Y290-N302 HydrophobicContact CE2-CB 4.42Å; Y290-N302 HydrophobicContact CG-CB 4.2Å; N302-N304 PolarHBondContact O-N 3.18Å; N302-N304 VanDerWaalsContact O-N 3.17Å; N302-L305 WeakPolarHBondContact O-CB 3.18Å; N302-L305 PolarHBondContact O-N 3.22Å; N302-L306 PolarHBondContact O-N 3.06Å
303	H	73.9	Confident	73.1	Confident	99 Å²	99	70.8 Å²	70.8	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-23.8	-178.6	72	-106.6	0	0	0	113.3	Q301 K307	Q301-H303 VanDerWaalsContact C-N 3.32Å; Q301-H303 PolarHBondContact O-N 2.99Å; Q301-H303 PolarHBondContact OE1-CE1 2.98Å; Q301-H303 PolarHBondContact OE1-NE2 3.03Å; H303-K307 WeakPolarHBondContact O-CG 3.49Å; H303-K307 PolarHBondContact O-N 2.78Å
304	N	77.1	Confident	72.7	Confident	56 Å²	56	68.8 Å²	68.8	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-82.9	-29.2	175.2	-69.4	-46.2	0	0	0	112.1	F299 Q301 N302 H308	F299-N304 HydrophobicContact CB-CB 4.46Å; F299-N304 HydrophobicContact CD1-CB 3.95Å; F299-N304 HydrophobicContact CG-CB 4.49Å; Q301-N304 PolarHBondContact O-N 3.13Å; Q301-N304 VanDerWaalsContact O-N 3.1Å; Q301-N304 PolarHBondContact OE1-ND2 3.26Å; N302-N304 PolarHBondContact O-N 3.18Å; N302-N304 VanDerWaalsContact O-N 3.17Å; N304-H308 WeakPolarHBondContact O-CB 3.38Å; N304-H308 PolarHBondContact O-N 2.9Å
305	L	78.6	Confident	72.4	Confident	14 Å²	14	68.3 Å²	68.3	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-64.5	-49	165.7	171.2	59.7	0	0	0	110.5	C292 F299 Q301 N302 K307 H308 Q309	C292-L305 HydrophobicContact CB-CD1 3.66Å; F299-L305 HydrophobicContact CB-CB 4.3Å; F299-L305 HydrophobicContact CD2-CB 4.03Å; F299-L305 HydrophobicContact CD2-CD1 4.06Å; F299-L305 HydrophobicContact CE2-CD1 4.31Å; F299-L305 HydrophobicContact CG-CB 4.31Å; Q301-L305 PolarHBondContact O-N 3.42Å; N302-L305 WeakPolarHBondContact O-CB 3.18Å; N302-L305 PolarHBondContact O-N 3.22Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.17Å; L305-H308 CarbonylContact O-C 3.59Å; L305-H308 WeakPolarHBondContact O-CA 3.38Å; L305-H308 WeakPolarHBondContact O-CB 3.3Å; L305-H308 PolarHBondContact O-N 3.21Å; L305-Q309 HydrophobicContact CD1-CG 3.86Å; L305-Q309 HydrophobicContact CG-CG 4.35Å; L305-Q309 WeakPolarHBondContact O-CG 3.31Å; L305-Q309 PolarHBondContact O-N 3.33Å
306	L	76.1	Confident	72.6	Confident	96 Å²	96	71.3 Å²	71.3	50%	0.503	37%	0.372	S	S	.	.	H	α-helix	trans	-58.6	-41.4	177.9	-79.8	156.1	0	0	0	113	N302 H308	N302-L306 PolarHBondContact O-N 3.06Å; L306-H308 VanDerWaalsContact C-N 3.31Å; L306-H308 PolarHBondContact O-N 3.14Å
307	K	74.2	Confident	72.7	Confident	96 Å²	96	73.3 Å²	73.3	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-35.2	171.2	-77.7	-177	-180	-167.5	0	112.8	H303 L305 Q329	H303-K307 WeakPolarHBondContact O-CG 3.49Å; H303-K307 PolarHBondContact O-N 2.78Å; L305-K307 VanDerWaalsContact C-N 3.35Å; L305-K307 PolarHBondContact O-N 3.17Å; K307-Q329 VanDerWaalsContact CE-OE1 3.25Å
308	H	77.7	Confident	72.9	Confident	15 Å²	15	71.8 Å²	71.8	7%	0.069	37%	0.37	C	S	.	.	H	α-helix	trans	-75	-36	-179.6	170.3	56.6	0	0	0	113.2	C295 F299 N304 L305 L306 K310 I311 H312	C295-H308 PolarHBondContact SG-NE2 2.7Å; F299-H308 HydrophobicContact CE1-CB 4.03Å; F299-H308 HydrophobicContact CE2-CB 3.95Å; F299-H308 AromaticContact CE2-CD2 3.2Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.01Å; F299-H308 AromaticContact CE2-CG 3.64Å; F299-H308 AromaticContact CE2-NE2 3.94Å; F299-H308 HydrophobicContact CZ-CB 3.53Å; F299-H308 AromaticContact CZ-CD2 3.33Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.34Å; F299-H308 AromaticContact CZ-CG 3.29Å; F299-H308 AromaticContact CZ-ND1 3.95Å; F299-H308 AromaticContact CZ-NE2 3.98Å; N304-H308 WeakPolarHBondContact O-CB 3.38Å; N304-H308 PolarHBondContact O-N 2.9Å; L305-H308 CarbonylContact O-C 3.59Å; L305-H308 WeakPolarHBondContact O-CA 3.38Å; L305-H308 WeakPolarHBondContact O-CB 3.3Å; L305-H308 PolarHBondContact O-N 3.21Å; L306-H308 VanDerWaalsContact C-N 3.31Å; L306-H308 PolarHBondContact O-N 3.14Å; H308-K310 PolarHBondContact O-N 2.83Å; H308-I311 WeakPolarHBondContact O-CB 3.38Å; H308-I311 WeakPolarHBondContact O-CG1 3.45Å; H308-I311 PolarHBondContact O-N 3.21Å; H308-H312 AromaticContact CD2-NE2 3.95Å; H308-H312 AromaticContact CE1-CE1 3.72Å; H308-H312 AromaticContact CE1-NE2 3.32Å; H308-H312 PolarHBondContact CE1-NE2 2.86Å; H308-H312 VanDerWaalsContact CE1-NE2 3.32Å; H308-H312 AromaticContact NE2-CE1 3.89Å; H308-H312 AromaticContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å; H308-H312 VanDerWaalsContact NE2-NE2 3.12Å
309	Q	75.1	Confident	73.3	Confident	62 Å²	62	74.6 Å²	74.6	29%	0.29	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-31.5	177.8	-72.3	175	-77.4	0	0	112.5	L305 I311 H312 A313	L305-Q309 HydrophobicContact CD1-CG 3.86Å; L305-Q309 HydrophobicContact CG-CG 4.35Å; L305-Q309 WeakPolarHBondContact O-CG 3.31Å; L305-Q309 PolarHBondContact O-N 3.33Å; Q309-I311 PolarHBondContact O-N 2.85Å; Q309-I311 VanDerWaalsContact O-N 3.12Å; Q309-H312 PolarHBondContact O-N 3.14Å; Q309-A313 PolarHBondContact O-N 3.23Å; Q309-A313 VanDerWaalsContact O-N 3.13Å
310	K	76.1	Confident	73.7	Confident	79 Å²	79	72.4 Å²	72.4	34%	0.343	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-17.6	171	-69	-178.7	168	-80.5	0	114.3	H308 E315 I328	H308-K310 PolarHBondContact O-N 2.83Å; K310-E315 IonicContact NZ-OE2 3.13Å; K310-E315 PolarHBondContact NZ-OE2 3.12Å; K310-I328 HydrophobicContact CB-CG2 3.67Å; K310-I328 HydrophobicContact CD-CG2 4.25Å
311	I	70.8	Confident	74.3	Confident	100 Å²	100	76.9 Å²	76.9	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-71	-38.4	172.1	-55.4	178.7	0	0	0	110.7	H308 Q309 I328	H308-I311 WeakPolarHBondContact O-CB 3.38Å; H308-I311 WeakPolarHBondContact O-CG1 3.45Å; H308-I311 PolarHBondContact O-N 3.21Å; Q309-I311 PolarHBondContact O-N 2.85Å; Q309-I311 VanDerWaalsContact O-N 3.12Å; I311-I328 HydrophobicContact CB-CD1 4.22Å; I311-I328 HydrophobicContact CG1-CD1 3.56Å
312	H	70.6	Confident	74.5	Confident	69 Å²	69	79 Å²	79	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-81.3	-39.2	-177.7	-56.7	-50.5	0	0	0	112.3	C292 E294 C295 H308 Q309 G314	C292-H312 PolarHBondContact SG-NE2 2.83Å; E294-H312 IonicContact OE1-CD2 2.82Å; E294-H312 WeakPolarHBondContact OE2-CB 3.5Å; E294-H312 IonicContact OE2-CD2 2.73Å; E294-H312 IonicContact OE2-CG 3.21Å; C295-H312 PolarHBondContact SG-CE1 3.16Å; C295-H312 PolarHBondContact SG-NE2 3.48Å; H308-H312 AromaticContact CD2-NE2 3.95Å; H308-H312 AromaticContact CE1-CE1 3.72Å; H308-H312 AromaticContact CE1-NE2 3.32Å; H308-H312 PolarHBondContact CE1-NE2 2.86Å; H308-H312 VanDerWaalsContact CE1-NE2 3.32Å; H308-H312 AromaticContact NE2-CE1 3.89Å; H308-H312 AromaticContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact NE2-NE2 2.95Å; H308-H312 VanDerWaalsContact NE2-NE2 3.12Å; Q309-H312 PolarHBondContact O-N 3.14Å; H312-G314 PolarHBondContact O-N 3.45Å
313	A	68.4	Low	74.6	Confident	63 Å²	63	77.9 Å²	77.9	52%	0.521	40%	0.4	S	S	.	.	S	Bend	trans	-63.1	-5.7	174.7	0	0	0	0	0	114.1	Q309 E315	Q309-A313 PolarHBondContact O-N 3.23Å; Q309-A313 VanDerWaalsContact O-N 3.13Å; A313-E315 HydrophobicContact CB-CB 4.41Å; A313-E315 HydrophobicContact CB-CG 4.11Å; A313-E315 PolarHBondContact O-N 3.21Å
314	G	65.6	Low	74.7	Confident	51 Å²	51	74.4 Å²	74.4	53%	0.526	39%	0.391	S	S	.	.			trans	68.5	-12.8	-174.3	0	0	0	0	0	114.7	H312 K316	H312-G314 PolarHBondContact O-N 3.45Å; G314-K316 PolarHBondContact O-N 3.12Å
315	E	66.1	Low	74.7	Confident	98 Å²	98	77.8 Å²	77.8	46%	0.458	40%	0.403	S	S	.	.			trans	-52	102.7	178	-75.2	-170.4	-176.3	0	0	112.1	K310 A313 P317	K310-E315 IonicContact NZ-OE2 3.13Å; K310-E315 PolarHBondContact NZ-OE2 3.12Å; A313-E315 HydrophobicContact CB-CB 4.41Å; A313-E315 HydrophobicContact CB-CG 4.11Å; A313-E315 PolarHBondContact O-N 3.21Å; E315-P317 WeakPolarHBondContact O-CD 3.46Å
316	K	72.5	Confident	74.8	Confident	115 Å²	115	78.8 Å²	78.8	50%	0.5	41%	0.411	S	S	.	.			trans	-118.8	75.5	168.7	-70.8	164.7	164.7	-171.7	0	108.6	G314 Y318 S326 F327 I328	G314-K316 PolarHBondContact O-N 3.12Å; K316-Y318 PolarHBondContact O-N 2.7Å; K316-Y318 VanDerWaalsContact O-N 3.09Å; K316-S326 VanDerWaalsContact CB-CB 3.47Å; K316-S326 WeakPolarHBondContact CD-O 3.29Å; K316-F327 CarbonylContact C-O 3.59Å; K316-F327 WeakPolarHBondContact CA-O 3.35Å; K316-I328 HydrophobicContact CG-CG1 3.81Å
317	P	75	Confident	75	Confident	76 Å²	76	76.4 Å²	76.4	49%	0.494	40%	0.397	S	S	.	.			trans	-66.5	-16.5	-169	-19.6	33.9	0	0	0	113.4	E315	E315-P317 WeakPolarHBondContact O-CD 3.46Å
318	Y	76.5	Confident	75	Confident	94 Å²	94	73.4 Å²	73.4	37%	0.369	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	83	-173.7	-53.8	-70.7	0	0	0	109.7	K316 S326 F327 I328 S330	K316-Y318 PolarHBondContact O-N 2.7Å; K316-Y318 VanDerWaalsContact O-N 3.09Å; Y318-S326 WeakPolarHBondContact O-CA 3.43Å; Y318-F327 PolarHBondContact N-O 2.99Å; Y318-F327 PolarHBondContact O-N 3.32Å; Y318-I328 WeakPolarHBondContact CE2-O 3.28Å; Y318-S330 VanDerWaalsContact CD2-N 3.29Å
319	R	78.8	Confident	74.9	Confident	173 Å²	173	75.3 Å²	75.3	65%	0.653	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.5	177.4	-177.4	168	178.9	152.1	0.5	111.5	S326	R319-S326 WeakPolarHBondContact CB-OG 3.33Å; R319-S326 WeakPolarHBondContact CG-OG 3.33Å
320	C	83.4	Confident	75	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.401	C	S	.	.			trans	-73.2	128	166.4	174.1	0	0	0	0	109.8	E322 C323 G324 K325 L333 H340	C320-E322 PolarHBondContact SG-N 3.07Å; C320-C323 VanDerWaalsContact SG-SG 3.61Å; C320-G324 WeakPolarHBondContact O-CA 3.46Å; C320-G324 PolarHBondContact O-N 3.15Å; C320-K325 VanDerWaalsContact CB-O 3.25Å; C320-K325 WeakPolarHBondContact CB-O 3.47Å; C320-K325 PolarHBondContact N-O 3.43Å; C320-L333 HydrophobicContact CB-CD1 3.67Å; C320-H340 PolarHBondContact SG-NE2 2.79Å; C320-H340 VanDerWaalsContact SG-NE2 3.37Å
321	T	78.4	Confident	75	Confident	125 Å²	125	74.9 Å²	74.9	77%	0.767	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-39.7	176.4	41.1	0	0	0	0	112.2
322	E	75.9	Confident	75.4	Confident	104 Å²	104	73.1 Å²	73.1	49%	0.486	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-30	-170.2	-62.2	147.3	121.5	0	0	113.9	C320 H340	C320-E322 PolarHBondContact SG-N 3.07Å; E322-H340 WeakPolarHBondContact OE1-CB 3.46Å; E322-H340 IonicContact OE2-CD2 3.01Å; E322-H340 PolarHBondContact OE2-CD2 3.46Å; E322-H340 VanDerWaalsContact OE2-CD2 3.23Å; E322-H340 IonicContact OE2-CG 3.89Å
323	C	76	Confident	76	Confident	50 Å²	50	70.9 Å²	70.9	34%	0.338	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	9.5	-178.9	75.6	0	0	0	0	115	C320 K325 H336 H340	C320-C323 VanDerWaalsContact SG-SG 3.61Å; C323-K325 PolarHBondContact O-N 3.03Å; C323-H336 PolarHBondContact SG-NE2 3.41Å; C323-H340 PolarHBondContact SG-CE1 3.15Å; C323-H340 PolarHBondContact SG-NE2 2.83Å; C323-H340 VanDerWaalsContact SG-NE2 3.36Å
324	G	76.1	Confident	76.5	Confident	27 Å²	27	71.4 Å²	71.4	28%	0.278	39%	0.385	S	S	.	.			trans	69.5	-7.5	175.9	0	0	0	0	0	116.7	C320 S326	C320-G324 WeakPolarHBondContact O-CA 3.46Å; C320-G324 PolarHBondContact O-N 3.15Å; G324-S326 PolarHBondContact O-N 3.17Å; G324-S326 PolarHBondContact O-OG 3.48Å
325	K	76.8	Confident	77.2	Confident	127 Å²	127	73.1 Å²	73.1	55%	0.552	38%	0.379	S	S	*	.			trans	-62.9	130.5	178.9	-67.6	176.3	-173.7	172	0	110.6	C320 C323 F327	C320-K325 VanDerWaalsContact CB-O 3.25Å; C320-K325 WeakPolarHBondContact CB-O 3.47Å; C320-K325 PolarHBondContact N-O 3.43Å; C323-K325 PolarHBondContact O-N 3.03Å; K325-F327 HydrophobicContact CB-CE2 3.84Å; K325-F327 HydrophobicContact CB-CZ 4.05Å; K325-F327 VanDerWaalsContact O-CE2 3.31Å; K325-F327 WeakPolarHBondContact O-CE2 3.34Å
326	S	80.1	Confident	77.9	Confident	35 Å²	35	69.5 Å²	69.5	25%	0.245	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.7	-177.3	-51.6	0	0	0	0	113	K316 Y318 R319 G324	K316-S326 VanDerWaalsContact CB-CB 3.47Å; K316-S326 WeakPolarHBondContact CD-O 3.29Å; Y318-S326 WeakPolarHBondContact O-CA 3.43Å; R319-S326 WeakPolarHBondContact CB-OG 3.33Å; R319-S326 WeakPolarHBondContact CG-OG 3.33Å; G324-S326 PolarHBondContact O-N 3.17Å; G324-S326 PolarHBondContact O-OG 3.48Å
327	F	80.5	Confident	78.3	Confident	46 Å²	46	67.2 Å²	67.2	20%	0.202	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	160.5	-170.8	-59.4	-91.7	0	0	0	112.1	K316 Y318 K325 E332 L333 H336	K316-F327 CarbonylContact C-O 3.59Å; K316-F327 WeakPolarHBondContact CA-O 3.35Å; Y318-F327 PolarHBondContact N-O 2.99Å; Y318-F327 PolarHBondContact O-N 3.32Å; K325-F327 HydrophobicContact CB-CE2 3.84Å; K325-F327 HydrophobicContact CB-CZ 4.05Å; K325-F327 VanDerWaalsContact O-CE2 3.31Å; K325-F327 WeakPolarHBondContact O-CE2 3.34Å; F327-E332 HydrophobicContact CB-CB 3.93Å; F327-E332 HydrophobicContact CD1-CB 3.78Å; F327-E332 HydrophobicContact CG-CB 4.11Å; F327-L333 HydrophobicContact CB-CB 4.38Å; F327-L333 HydrophobicContact CD2-CB 4.13Å; F327-L333 HydrophobicContact CD2-CD1 4.04Å; F327-L333 HydrophobicContact CE2-CD1 4.33Å; F327-L333 HydrophobicContact CG-CB 4.45Å; F327-H336 HydrophobicContact CE1-CB 4.1Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.22Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.47Å; F327-H336 AromaticContact CE2-CG 3.76Å; F327-H336 HydrophobicContact CZ-CB 3.6Å; F327-H336 AromaticContact CZ-CD2 3.3Å; F327-H336 WeakPolarHBondContact CZ-CD2 3.47Å; F327-H336 AromaticContact CZ-CG 3.4Å; F327-H336 VanDerWaalsContact CZ-CG 3.4Å
328	I	75.1	Confident	78.6	Confident	32 Å²	32	66.4 Å²	66.4	16%	0.164	34%	0.34	C	S	.	.	S	Bend	trans	-94.6	-24.2	-173.7	-61.1	178.3	0	0	0	110.8	K310 I311 K316 Y318 E332	K310-I328 HydrophobicContact CB-CG2 3.67Å; K310-I328 HydrophobicContact CD-CG2 4.25Å; I311-I328 HydrophobicContact CB-CD1 4.22Å; I311-I328 HydrophobicContact CG1-CD1 3.56Å; K316-I328 HydrophobicContact CG-CG1 3.81Å; Y318-I328 WeakPolarHBondContact CE2-O 3.28Å; I328-E332 PolarHBondContact N-OE2 3.14Å; I328-E332 VanDerWaalsContact N-OE2 3.13Å
329	Q	75.6	Confident	78.7	Confident	55 Å²	55	66.4 Å²	66.4	26%	0.257	35%	0.35	S	S	.	.	S	Bend	trans	-121.8	139.9	174.2	-54	-178.9	90.4	0	0	111	K307 S331 E332 L333	K307-Q329 VanDerWaalsContact CE-OE1 3.25Å; Q329-S331 PolarHBondContact O-N 2.78Å; Q329-E332 HydrophobicContact CB-CG 3.99Å; Q329-E332 PolarHBondContact N-OE2 3.24Å; Q329-E332 PolarHBondContact NE2-OE1 2.89Å; Q329-E332 WeakPolarHBondContact O-CB 3.47Å; Q329-E332 PolarHBondContact O-N 2.88Å; Q329-L333 PolarHBondContact O-N 3.35Å
330	S	76.2	Confident	78.7	Confident	62 Å²	62	61.5 Å²	61.5	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-57.6	-35.1	176	51.1	0	0	0	0	112.5	Y318 E332 L333 T334	Y318-S330 VanDerWaalsContact CD2-N 3.29Å; S330-E332 VanDerWaalsContact C-N 3.27Å; S330-E332 PolarHBondContact O-N 3.16Å; S330-L333 PolarHBondContact O-N 3.3Å; S330-T334 PolarHBondContact O-N 3.19Å; S330-T334 PolarHBondContact O-OG1 2.92Å
331	S	77.4	Confident	78.3	Confident	71 Å²	71	65 Å²	65	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-62.2	-30.8	174.8	56.4	0	0	0	0	113.6	Q329 Q335	Q329-S331 PolarHBondContact O-N 2.78Å; S331-Q335 WeakPolarHBondContact O-CB 3.44Å; S331-Q335 PolarHBondContact O-N 3.39Å
332	E	79.2	Confident	78.2	Confident	62 Å²	62	61.4 Å²	61.4	29%	0.29	34%	0.343	S	S	.	.	H	α-helix	trans	-73.7	-39.3	175.3	-63.9	160.1	176.3	0	0	110.5	F327 I328 Q329 S330 Q335 H336	F327-E332 HydrophobicContact CB-CB 3.93Å; F327-E332 HydrophobicContact CD1-CB 3.78Å; F327-E332 HydrophobicContact CG-CB 4.11Å; I328-E332 PolarHBondContact N-OE2 3.14Å; I328-E332 VanDerWaalsContact N-OE2 3.13Å; Q329-E332 HydrophobicContact CB-CG 3.99Å; Q329-E332 PolarHBondContact N-OE2 3.24Å; Q329-E332 PolarHBondContact NE2-OE1 2.89Å; Q329-E332 WeakPolarHBondContact O-CB 3.47Å; Q329-E332 PolarHBondContact O-N 2.88Å; S330-E332 VanDerWaalsContact C-N 3.27Å; S330-E332 PolarHBondContact O-N 3.16Å; E332-Q335 PolarHBondContact O-N 3.38Å; E332-H336 VanDerWaalsContact O-CB 3.3Å; E332-H336 WeakPolarHBondContact O-CB 3.36Å; E332-H336 PolarHBondContact O-N 3.21Å
333	L	82.6	Confident	78.2	Confident	22 Å²	22	61.3 Å²	61.3	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-50.4	173.1	173.3	61.4	0	0	0	111.4	C320 F327 Q329 S330 Q335 H336 Q337	C320-L333 HydrophobicContact CB-CD1 3.67Å; F327-L333 HydrophobicContact CB-CB 4.38Å; F327-L333 HydrophobicContact CD2-CB 4.13Å; F327-L333 HydrophobicContact CD2-CD1 4.04Å; F327-L333 HydrophobicContact CE2-CD1 4.33Å; F327-L333 HydrophobicContact CG-CB 4.45Å; Q329-L333 PolarHBondContact O-N 3.35Å; S330-L333 PolarHBondContact O-N 3.3Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 PolarHBondContact O-N 2.89Å; L333-H336 CarbonylContact O-C 3.28Å; L333-H336 WeakPolarHBondContact O-CA 2.93Å; L333-H336 WeakPolarHBondContact O-CB 3.32Å; L333-H336 PolarHBondContact O-N 2.82Å; L333-Q337 HydrophobicContact CD1-CG 4.08Å; L333-Q337 HydrophobicContact CG-CG 4.43Å; L333-Q337 WeakPolarHBondContact O-CG 3.39Å; L333-Q337 PolarHBondContact O-N 3.22Å
334	T	79.4	Confident	78.4	Confident	75 Å²	75	64.6 Å²	64.6	46%	0.46	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-32.8	178	-54.3	0	0	0	0	112.2	S330	S330-T334 PolarHBondContact O-N 3.19Å; S330-T334 PolarHBondContact O-OG1 2.92Å
335	Q	78.9	Confident	78.6	Confident	87 Å²	87	66.6 Å²	66.6	41%	0.407	36%	0.36	S	S	.	.	H	α-helix	trans	-66.7	-40.1	170.8	-178.1	178.3	1.4	0	0	111.7	S331 E332 L333 H357	S331-Q335 WeakPolarHBondContact O-CB 3.44Å; S331-Q335 PolarHBondContact O-N 3.39Å; E332-Q335 PolarHBondContact O-N 3.38Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 PolarHBondContact O-N 2.89Å; Q335-H357 WeakPolarHBondContact CG-NE2 3.49Å; Q335-H357 PolarHBondContact NE2-CD2 3.01Å; Q335-H357 PolarHBondContact NE2-CE1 3.16Å; Q335-H357 PolarHBondContact NE2-NE2 2.98Å
336	H	82.2	Confident	78.7	Confident	22 Å²	22	64.3 Å²	64.3	10%	0.102	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-36.8	178.4	171.6	44.9	0	0	0	113.6	C323 F327 E332 L333 R338 T339 H340	C323-H336 PolarHBondContact SG-NE2 3.41Å; F327-H336 HydrophobicContact CE1-CB 4.1Å; F327-H336 HydrophobicContact CE2-CB 3.97Å; F327-H336 AromaticContact CE2-CD2 3.22Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.47Å; F327-H336 AromaticContact CE2-CG 3.76Å; F327-H336 HydrophobicContact CZ-CB 3.6Å; F327-H336 AromaticContact CZ-CD2 3.3Å; F327-H336 WeakPolarHBondContact CZ-CD2 3.47Å; F327-H336 AromaticContact CZ-CG 3.4Å; F327-H336 VanDerWaalsContact CZ-CG 3.4Å; E332-H336 VanDerWaalsContact O-CB 3.3Å; E332-H336 WeakPolarHBondContact O-CB 3.36Å; E332-H336 PolarHBondContact O-N 3.21Å; L333-H336 CarbonylContact O-C 3.28Å; L333-H336 WeakPolarHBondContact O-CA 2.93Å; L333-H336 WeakPolarHBondContact O-CB 3.32Å; L333-H336 PolarHBondContact O-N 2.82Å; H336-R338 PolarHBondContact O-N 3.16Å; H336-T339 PolarHBondContact CE1-OG1 3.1Å; H336-T339 VanDerWaalsContact CE1-OG1 3.25Å; H336-T339 PolarHBondContact ND1-OG1 3.27Å; H336-T339 VanDerWaalsContact ND1-OG1 3.12Å; H336-T339 WeakPolarHBondContact O-CB 3.44Å; H336-T339 PolarHBondContact O-N 3.48Å; H336-T339 PolarHBondContact O-OG1 2.98Å; H336-H340 AromaticContact CD2-NE2 3.9Å; H336-H340 AromaticContact CE1-CE1 3.51Å; H336-H340 AromaticContact CE1-NE2 3.15Å; H336-H340 PolarHBondContact CE1-NE2 3.27Å; H336-H340 AromaticContact NE2-CE1 3.75Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 3.02Å
337	Q	80.3	Confident	78.7	Confident	66 Å²	66	67.7 Å²	67.7	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-56.2	-28.3	179.6	-75	171.7	-66.2	0	0	112.7	L333 T339 H340 T341	L333-Q337 HydrophobicContact CD1-CG 4.08Å; L333-Q337 HydrophobicContact CG-CG 4.43Å; L333-Q337 WeakPolarHBondContact O-CG 3.39Å; L333-Q337 PolarHBondContact O-N 3.22Å; Q337-T339 PolarHBondContact O-N 3.35Å; Q337-T339 VanDerWaalsContact O-N 3.15Å; Q337-H340 PolarHBondContact O-N 3.38Å; Q337-T341 PolarHBondContact O-N 3.32Å; Q337-T341 PolarHBondContact O-OG1 3Å
338	R	82	Confident	78.8	Confident	59 Å²	59	65.5 Å²	65.5	22%	0.223	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-17.3	172.1	-59.8	-179.6	-178.2	169.3	2	114.7	H336 H340 G342 E343 G356	H336-R338 PolarHBondContact O-N 3.16Å; R338-H340 VanDerWaalsContact C-N 3.3Å; R338-G342 WeakPolarHBondContact O-CA 3.38Å; R338-G342 PolarHBondContact O-N 2.86Å; R338-E343 HydrophobicContact CB-CB 4.33Å; R338-E343 HydrophobicContact CG-CB 4.13Å; R338-G356 PolarHBondContact NH1-O 3.35Å
339	T	78.1	Confident	79	Confident	94 Å²	94	71.5 Å²	71.5	58%	0.577	38%	0.382	S	S	*	.	H	α-helix	trans	-77.3	-17.6	172.1	69.6	0	0	0	0	112.8	H336 Q337	H336-T339 PolarHBondContact CE1-OG1 3.1Å; H336-T339 VanDerWaalsContact CE1-OG1 3.25Å; H336-T339 PolarHBondContact ND1-OG1 3.27Å; H336-T339 VanDerWaalsContact ND1-OG1 3.12Å; H336-T339 WeakPolarHBondContact O-CB 3.44Å; H336-T339 PolarHBondContact O-N 3.48Å; H336-T339 PolarHBondContact O-OG1 2.98Å; Q337-T339 PolarHBondContact O-N 3.35Å; Q337-T339 VanDerWaalsContact O-N 3.15Å
340	H	77.9	Confident	79.1	Confident	70 Å²	70	74.6 Å²	74.6	32%	0.324	40%	0.397	S	S	.	.	H	α-helix	trans	-100.1	-45.1	177.8	-50.8	-50.6	0	0	0	111.1	C320 E322 C323 H336 Q337 R338 G342	C320-H340 PolarHBondContact SG-NE2 2.79Å; C320-H340 VanDerWaalsContact SG-NE2 3.37Å; E322-H340 WeakPolarHBondContact OE1-CB 3.46Å; E322-H340 IonicContact OE2-CD2 3.01Å; E322-H340 PolarHBondContact OE2-CD2 3.46Å; E322-H340 VanDerWaalsContact OE2-CD2 3.23Å; E322-H340 IonicContact OE2-CG 3.89Å; C323-H340 PolarHBondContact SG-CE1 3.15Å; C323-H340 PolarHBondContact SG-NE2 2.83Å; C323-H340 VanDerWaalsContact SG-NE2 3.36Å; H336-H340 AromaticContact CD2-NE2 3.9Å; H336-H340 AromaticContact CE1-CE1 3.51Å; H336-H340 AromaticContact CE1-NE2 3.15Å; H336-H340 PolarHBondContact CE1-NE2 3.27Å; H336-H340 AromaticContact NE2-CE1 3.75Å; H336-H340 AromaticContact NE2-NE2 3.04Å; H336-H340 PolarHBondContact NE2-NE2 3.02Å; Q337-H340 PolarHBondContact O-N 3.38Å; R338-H340 VanDerWaalsContact C-N 3.3Å; H340-G342 PolarHBondContact O-N 3.19Å
341	T	76.6	Confident	79.1	Confident	75 Å²	75	74 Å²	74	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-72.2	-12.1	175.9	64.6	0	0	0	0	113.6	Q337 E343	Q337-T341 PolarHBondContact O-N 3.32Å; Q337-T341 PolarHBondContact O-OG1 3Å; T341-E343 PolarHBondContact O-N 3.25Å; T341-E343 VanDerWaalsContact O-N 3.14Å; T341-E343 WeakPolarHBondContact OG1-CB 3.36Å; T341-E343 WeakPolarHBondContact OG1-CG 3.33Å; T341-E343 PolarHBondContact OG1-N 2.93Å
342	G	75.8	Confident	79.1	Confident	48 Å²	48	72.7 Å²	72.7	50%	0.495	39%	0.39	S	S	.	.			trans	68.7	3.3	-175.5	0	0	0	0	0	114.4	R338 H340 K344	R338-G342 WeakPolarHBondContact O-CA 3.38Å; R338-G342 PolarHBondContact O-N 2.86Å; H340-G342 PolarHBondContact O-N 3.19Å; G342-K344 PolarHBondContact O-N 3.47Å
343	E	75.1	Confident	79.1	Confident	103 Å²	103	74.5 Å²	74.5	48%	0.481	40%	0.396	S	S	.	.			trans	-55.5	125.7	-176.9	-84	174.8	-146.9	0	0	112.3	R338 T341 P345	R338-E343 HydrophobicContact CB-CB 4.33Å; R338-E343 HydrophobicContact CG-CB 4.13Å; T341-E343 PolarHBondContact O-N 3.25Å; T341-E343 VanDerWaalsContact O-N 3.14Å; T341-E343 WeakPolarHBondContact OG1-CB 3.36Å; T341-E343 WeakPolarHBondContact OG1-CG 3.33Å; T341-E343 PolarHBondContact OG1-N 2.93Å; E343-P345 HydrophobicContact CB-CG 4.39Å; E343-P345 WeakPolarHBondContact O-CD 3.32Å
344	K	79.9	Confident	79	Confident	119 Å²	119	75.3 Å²	75.3	52%	0.517	40%	0.404	S	S	.	.			trans	-123.7	70.3	178.4	-76.2	164.7	169.9	-174.1	0	110.3	G342 Y346 S354 F355	G342-K344 PolarHBondContact O-N 3.47Å; K344-Y346 PolarHBondContact O-N 3.2Å; K344-S354 WeakPolarHBondContact CD-O 3.34Å; K344-S354 WeakPolarHBondContact O-CB 3.29Å; K344-F355 CarbonylContact C-O 3.6Å; K344-F355 WeakPolarHBondContact CA-O 3.34Å
345	P	80	Confident	79.1	Confident	69 Å²	69	74.1 Å²	74.1	45%	0.448	39%	0.393	S	S	.	.			trans	-72.7	2.9	-168	-17.6	33.6	0	0	0	115.6	E343	E343-P345 HydrophobicContact CB-CG 4.39Å; E343-P345 WeakPolarHBondContact O-CD 3.32Å
346	Y	79.3	Confident	78.9	Confident	78 Å²	78	70.9 Å²	70.9	31%	0.306	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	87.2	-176.7	-54.5	-72.4	0	0	0	109.9	K344 F355 G356 S358	K344-Y346 PolarHBondContact O-N 3.2Å; Y346-F355 WeakPolarHBondContact CB-O 3.29Å; Y346-F355 WeakPolarHBondContact CD2-O 3.3Å; Y346-F355 PolarHBondContact N-O 2.91Å; Y346-F355 VanDerWaalsContact N-O 3.15Å; Y346-F355 PolarHBondContact O-N 3.13Å; Y346-G356 WeakPolarHBondContact CE2-O 3.35Å; Y346-S358 VanDerWaalsContact CE2-N 3.32Å
347	E	79.9	Confident	78.7	Confident	106 Å²	106	72.8 Å²	72.8	50%	0.495	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.6	177.4	-173	174.7	161.6	0	0	112.7	S354 L361	E347-S354 WeakPolarHBondContact CG-OG 3.5Å; E347-L361 WeakPolarHBondContact O-CD2 3.12Å
348	C	83.5	Confident	78.6	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	99.4	171.3	-163.4	0	0	0	0	110.6	E350 C351 G352 K353 F355 L361 H368	C348-E350 PolarHBondContact O-N 3.36Å; C348-C351 PolarHBondContact O-N 3.04Å; C348-G352 PolarHBondContact O-N 2.9Å; C348-K353 HydrophobicContact CB-CB 4.46Å; C348-K353 VanDerWaalsContact CB-O 3.29Å; C348-K353 WeakPolarHBondContact CB-O 3.46Å; C348-K353 PolarHBondContact N-O 2.83Å; C348-F355 HydrophobicContact CB-CE2 4.43Å; C348-L361 HydrophobicContact CB-CD1 3.5Å; C348-H368 VanDerWaalsContact SG-CD2 3.54Å
349	L	79.5	Confident	78.3	Confident	159 Å²	159	72.6 Å²	72.6	83%	0.832	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-19.5	-178.5	-57.3	177.4	0	0	0	114.7
350	E	76.3	Confident	78.4	Confident	119 Å²	119	70.2 Å²	70.2	56%	0.556	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.2	178.9	-62.3	177.6	124.2	0	0	113.7	C348 H368	C348-E350 PolarHBondContact O-N 3.36Å; E350-H368 WeakPolarHBondContact OE2-CB 3.44Å; E350-H368 IonicContact OE2-CD2 3.25Å; E350-H368 PolarHBondContact OE2-CD2 2.87Å; E350-H368 IonicContact OE2-CG 3.74Å
351	C	78	Confident	78.5	Confident	49 Å²	49	67.9 Å²	67.9	33%	0.331	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.6	10	-177.9	69.5	0	0	0	0	116.9	C348 K353 H364 H368	C348-C351 PolarHBondContact O-N 3.04Å; C351-K353 PolarHBondContact O-N 3.22Å; C351-K353 VanDerWaalsContact O-N 3.16Å; C351-H364 PolarHBondContact SG-NE2 3.5Å; C351-H368 WeakPolarHBondContact CB-NE2 3.45Å; C351-H368 PolarHBondContact SG-NE2 2.93Å
352	G	77.3	Confident	78.6	Confident	44 Å²	44	68.5 Å²	68.5	45%	0.454	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	7.8	179.3	0	0	0	0	0	115.5	C348 S354	C348-G352 PolarHBondContact O-N 2.9Å; G352-S354 PolarHBondContact O-N 3.21Å
353	K	77.9	Confident	78.5	Confident	100 Å²	100	71.3 Å²	71.3	44%	0.435	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.5	-176.1	-69.6	-176.2	-179.6	-176.1	0	111.5	C348 C351 F355	C348-K353 HydrophobicContact CB-CB 4.46Å; C348-K353 VanDerWaalsContact CB-O 3.29Å; C348-K353 WeakPolarHBondContact CB-O 3.46Å; C348-K353 PolarHBondContact N-O 2.83Å; C351-K353 PolarHBondContact O-N 3.22Å; C351-K353 VanDerWaalsContact O-N 3.16Å; K353-F355 HydrophobicContact CB-CE2 3.86Å; K353-F355 HydrophobicContact CB-CZ 4.1Å; K353-F355 WeakPolarHBondContact O-CD2 3.39Å; K353-F355 WeakPolarHBondContact O-CE2 3.37Å
354	S	81.1	Confident	78.7	Confident	40 Å²	40	67.7 Å²	67.7	28%	0.28	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.9	-176	-55.7	0	0	0	0	112.9	K344 E347 G352	K344-S354 WeakPolarHBondContact CD-O 3.34Å; K344-S354 WeakPolarHBondContact O-CB 3.29Å; E347-S354 WeakPolarHBondContact CG-OG 3.5Å; G352-S354 PolarHBondContact O-N 3.21Å
355	F	80.4	Confident	78.5	Confident	50 Å²	50	65.1 Å²	65.1	22%	0.219	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.3	-175.1	-60.1	-91.2	0	0	0	111.9	K344 Y346 C348 K353 H357 L361 H364	K344-F355 CarbonylContact C-O 3.6Å; K344-F355 WeakPolarHBondContact CA-O 3.34Å; Y346-F355 WeakPolarHBondContact CB-O 3.29Å; Y346-F355 WeakPolarHBondContact CD2-O 3.3Å; Y346-F355 PolarHBondContact N-O 2.91Å; Y346-F355 VanDerWaalsContact N-O 3.15Å; Y346-F355 PolarHBondContact O-N 3.13Å; C348-F355 HydrophobicContact CB-CE2 4.43Å; K353-F355 HydrophobicContact CB-CE2 3.86Å; K353-F355 HydrophobicContact CB-CZ 4.1Å; K353-F355 WeakPolarHBondContact O-CD2 3.39Å; K353-F355 WeakPolarHBondContact O-CE2 3.37Å; F355-H357 VanDerWaalsContact C-N 3.28Å; F355-H357 PolarHBondContact O-N 2.95Å; F355-L361 HydrophobicContact CD2-CB 4.16Å; F355-L361 HydrophobicContact CD2-CD1 4.03Å; F355-L361 HydrophobicContact CE2-CD1 4.27Å; F355-H364 HydrophobicContact CE1-CB 4.23Å; F355-H364 HydrophobicContact CE2-CB 3.93Å; F355-H364 AromaticContact CE2-CD2 3.25Å; F355-H364 WeakPolarHBondContact CE2-CD2 3.36Å; F355-H364 AromaticContact CE2-CG 3.74Å; F355-H364 HydrophobicContact CZ-CB 3.62Å; F355-H364 AromaticContact CZ-CD2 3.33Å; F355-H364 WeakPolarHBondContact CZ-CD2 3.39Å; F355-H364 AromaticContact CZ-CG 3.4Å
356	G	76.3	Confident	78.2	Confident	19 Å²	19	66.6 Å²	66.6	20%	0.196	35%	0.35	C	S	.	.	S	Bend	trans	-70.2	-20.3	175.4	0	0	0	0	0	114.5	R338 Y346	R338-G356 PolarHBondContact NH1-O 3.35Å; Y346-G356 WeakPolarHBondContact CE2-O 3.35Å
357	H	77.6	Confident	77.8	Confident	61 Å²	61	66.1 Å²	66.1	28%	0.282	36%	0.355	S	S	.	.			trans	-129.6	139.8	179.9	-42.7	126.9	0	0	0	113.1	Q335 F355 S359 T360 L361	Q335-H357 WeakPolarHBondContact CG-NE2 3.49Å; Q335-H357 PolarHBondContact NE2-CD2 3.01Å; Q335-H357 PolarHBondContact NE2-CE1 3.16Å; Q335-H357 PolarHBondContact NE2-NE2 2.98Å; F355-H357 VanDerWaalsContact C-N 3.28Å; F355-H357 PolarHBondContact O-N 2.95Å; H357-S359 PolarHBondContact O-N 3.37Å; H357-T360 WeakPolarHBondContact CB-OG1 3.49Å; H357-T360 PolarHBondContact O-N 3.46Å; H357-T360 VanDerWaalsContact O-N 3.1Å; H357-T360 PolarHBondContact O-OG1 3.02Å; H357-L361 PolarHBondContact O-N 2.92Å; H357-L361 VanDerWaalsContact O-N 3.12Å
358	S	77.1	Confident	77.3	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-33	173.2	55.3	0	0	0	0	112.4	Y346 T360 L361 I362	Y346-S358 VanDerWaalsContact CE2-N 3.32Å; S358-T360 VanDerWaalsContact C-N 3.28Å; S358-T360 PolarHBondContact O-N 3.32Å; S358-L361 PolarHBondContact O-N 3.25Å; S358-I362 VanDerWaalsContact O-CG1 3.28Å; S358-I362 WeakPolarHBondContact O-CG1 3.45Å; S358-I362 PolarHBondContact O-N 3.01Å
359	S	77.3	Confident	76.4	Confident	66 Å²	66	70 Å²	70	46%	0.462	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-24.7	176.1	64.1	0	0	0	0	113.4	H357 K363	H357-S359 PolarHBondContact O-N 3.37Å; S359-K363 WeakPolarHBondContact O-CD 3.21Å; S359-K363 VanDerWaalsContact O-CG 3.23Å; S359-K363 WeakPolarHBondContact O-CG 3.33Å; S359-K363 PolarHBondContact O-N 2.68Å
360	T	79.3	Confident	75.4	Confident	44 Å²	44	73 Å²	73	27%	0.27	38%	0.376	S	S	.	.	H	α-helix	trans	-81.5	-39.1	170.3	36.2	0	0	0	0	111.8	H357 S358 I362 K363 H364	H357-T360 WeakPolarHBondContact CB-OG1 3.49Å; H357-T360 PolarHBondContact O-N 3.46Å; H357-T360 VanDerWaalsContact O-N 3.1Å; H357-T360 PolarHBondContact O-OG1 3.02Å; S358-T360 VanDerWaalsContact C-N 3.28Å; S358-T360 PolarHBondContact O-N 3.32Å; T360-I362 PolarHBondContact O-N 2.98Å; T360-K363 PolarHBondContact O-N 2.93Å; T360-H364 WeakPolarHBondContact O-CB 3.3Å; T360-H364 PolarHBondContact O-N 3.39Å
361	L	80.5	Confident	74.3	Confident	20 Å²	20	74.2 Å²	74.2	11%	0.105	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-48.3	171.8	174.6	61.5	0	0	0	111.6	E347 C348 F355 H357 S358 K363 H364 Q365	E347-L361 WeakPolarHBondContact O-CD2 3.12Å; C348-L361 HydrophobicContact CB-CD1 3.5Å; F355-L361 HydrophobicContact CD2-CB 4.16Å; F355-L361 HydrophobicContact CD2-CD1 4.03Å; F355-L361 HydrophobicContact CE2-CD1 4.27Å; H357-L361 PolarHBondContact O-N 2.92Å; H357-L361 VanDerWaalsContact O-N 3.12Å; S358-L361 PolarHBondContact O-N 3.25Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.03Å; L361-H364 CarbonylContact O-C 3.49Å; L361-H364 WeakPolarHBondContact O-CA 3.37Å; L361-H364 WeakPolarHBondContact O-CB 3.49Å; L361-H364 PolarHBondContact O-N 3.47Å; L361-Q365 HydrophobicContact CD1-CG 3.92Å; L361-Q365 HydrophobicContact CG-CG 4.29Å; L361-Q365 WeakPolarHBondContact O-CG 3.32Å; L361-Q365 PolarHBondContact O-N 3.39Å
362	I	78.2	Confident	73.5	Confident	88 Å²	88	73.8 Å²	73.8	45%	0.451	38%	0.376	S	S	.	.	H	α-helix	trans	-63.3	-31.5	179.1	-67.7	163.9	0	0	0	112.3	S358 T360 R366	S358-I362 VanDerWaalsContact O-CG1 3.28Å; S358-I362 WeakPolarHBondContact O-CG1 3.45Å; S358-I362 PolarHBondContact O-N 3.01Å; T360-I362 PolarHBondContact O-N 2.98Å; I362-R366 WeakPolarHBondContact O-CG 3.19Å
363	K	74.7	Confident	73.1	Confident	107 Å²	107	75.5 Å²	75.5	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-71	-35.9	171.4	-73	171.8	-176.4	177.6	0	111.6	S359 T360 L361 L385	S359-K363 WeakPolarHBondContact O-CD 3.21Å; S359-K363 VanDerWaalsContact O-CG 3.23Å; S359-K363 WeakPolarHBondContact O-CG 3.33Å; S359-K363 PolarHBondContact O-N 2.68Å; T360-K363 PolarHBondContact O-N 2.93Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.03Å; K363-L385 HydrophobicContact CD-CD2 4.45Å; K363-L385 HydrophobicContact CG-CD2 4.11Å
364	H	79.5	Confident	72.9	Confident	28 Å²	28	73.7 Å²	73.7	13%	0.13	37%	0.371	C	S	.	.	H	α-helix	trans	-74.5	-41.5	-179.8	176.1	49.4	0	0	0	113	C351 F355 T360 L361 R366 T367 H368	C351-H364 PolarHBondContact SG-NE2 3.5Å; F355-H364 HydrophobicContact CE1-CB 4.23Å; F355-H364 HydrophobicContact CE2-CB 3.93Å; F355-H364 AromaticContact CE2-CD2 3.25Å; F355-H364 WeakPolarHBondContact CE2-CD2 3.36Å; F355-H364 AromaticContact CE2-CG 3.74Å; F355-H364 HydrophobicContact CZ-CB 3.62Å; F355-H364 AromaticContact CZ-CD2 3.33Å; F355-H364 WeakPolarHBondContact CZ-CD2 3.39Å; F355-H364 AromaticContact CZ-CG 3.4Å; T360-H364 WeakPolarHBondContact O-CB 3.3Å; T360-H364 PolarHBondContact O-N 3.39Å; L361-H364 CarbonylContact O-C 3.49Å; L361-H364 WeakPolarHBondContact O-CA 3.37Å; L361-H364 WeakPolarHBondContact O-CB 3.49Å; L361-H364 PolarHBondContact O-N 3.47Å; H364-R366 PolarHBondContact O-N 2.87Å; H364-R366 VanDerWaalsContact O-N 3.14Å; H364-T367 PolarHBondContact ND1-OG1 3.37Å; H364-T367 WeakPolarHBondContact O-CA 3.18Å; H364-T367 VanDerWaalsContact O-CB 3.28Å; H364-T367 WeakPolarHBondContact O-CB 3.3Å; H364-T367 WeakPolarHBondContact O-CG2 3.3Å; H364-T367 PolarHBondContact O-N 3.21Å; H364-T367 PolarHBondContact O-OG1 3.34Å; H364-H368 AromaticContact CE1-NE2 3.45Å; H364-H368 PolarHBondContact CE1-NE2 3.21Å; H364-H368 AromaticContact NE2-NE2 3.55Å
365	Q	75.3	Confident	72.8	Confident	64 Å²	64	78.8 Å²	78.8	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-56.6	-32.1	177.1	-74	168.4	-40.8	0	0	112.6	L361 T367 H368 L369	L361-Q365 HydrophobicContact CD1-CG 3.92Å; L361-Q365 HydrophobicContact CG-CG 4.29Å; L361-Q365 WeakPolarHBondContact O-CG 3.32Å; L361-Q365 PolarHBondContact O-N 3.39Å; Q365-T367 PolarHBondContact O-N 3.34Å; Q365-T367 VanDerWaalsContact O-N 3.15Å; Q365-H368 PolarHBondContact O-N 2.83Å; Q365-L369 PolarHBondContact O-N 2.88Å
366	R	72.6	Confident	72.9	Confident	101 Å²	101	76.5 Å²	76.5	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-62	-18.5	171.9	-64.6	170.9	-172.6	-157.9	-4.1	114.2	I362 H364	I362-R366 WeakPolarHBondContact O-CG 3.19Å; H364-R366 PolarHBondContact O-N 2.87Å; H364-R366 VanDerWaalsContact O-N 3.14Å
367	T	70.9	Confident	73	Confident	68 Å²	68	80.7 Å²	80.7	42%	0.417	40%	0.403	S	S	.	.	H	α-helix	trans	-77.7	-24.8	174.6	70.3	0	0	0	0	112.7	H364 Q365 T384	H364-T367 PolarHBondContact ND1-OG1 3.37Å; H364-T367 WeakPolarHBondContact O-CA 3.18Å; H364-T367 VanDerWaalsContact O-CB 3.28Å; H364-T367 WeakPolarHBondContact O-CB 3.3Å; H364-T367 WeakPolarHBondContact O-CG2 3.3Å; H364-T367 PolarHBondContact O-N 3.21Å; H364-T367 PolarHBondContact O-OG1 3.34Å; Q365-T367 PolarHBondContact O-N 3.34Å; Q365-T367 VanDerWaalsContact O-N 3.15Å; T367-T384 HydrophobicContact CG2-CG2 4.25Å
368	H	69.3	Low	73.1	Confident	80 Å²	80	82.6 Å²	82.6	37%	0.37	42%	0.418	S	S	.	.	H	α-helix	trans	-82.3	-45.7	176.3	-56.9	-50.4	0	0	0	112	C348 E350 C351 H364 Q365 R370	C348-H368 VanDerWaalsContact SG-CD2 3.54Å; E350-H368 WeakPolarHBondContact OE2-CB 3.44Å; E350-H368 IonicContact OE2-CD2 3.25Å; E350-H368 PolarHBondContact OE2-CD2 2.87Å; E350-H368 IonicContact OE2-CG 3.74Å; C351-H368 WeakPolarHBondContact CB-NE2 3.45Å; C351-H368 PolarHBondContact SG-NE2 2.93Å; H364-H368 AromaticContact CE1-NE2 3.45Å; H364-H368 PolarHBondContact CE1-NE2 3.21Å; H364-H368 AromaticContact NE2-NE2 3.55Å; Q365-H368 PolarHBondContact O-N 2.83Å; H368-R370 PolarHBondContact O-N 2.81Å
369	L	65.1	Low	73.2	Confident	107 Å²	107	82.3 Å²	82.3	56%	0.56	42%	0.415	S	S	*	.	S	Bend	trans	-56.7	-22.5	178	-72.6	163.9	0	0	0	113.7	Q365 E371	Q365-L369 PolarHBondContact O-N 2.88Å; L369-E371 PolarHBondContact O-N 3.46Å
370	R	58.4	Low	73.3	Confident	221 Å²	221	81.6 Å²	81.6	83%	0.834	42%	0.419	S	S	*	.			trans	58.5	0.7	-179.8	-144.7	177.5	-168	-129.1	3.3	115.4	H368 D372	H368-R370 PolarHBondContact O-N 2.81Å; R370-D372 VanDerWaalsContact C-N 3.27Å; R370-D372 PolarHBondContact O-N 2.89Å
371	E	53.3	Low	73.2	Confident	146 Å²	146	85.6 Å²	85.6	68%	0.682	43%	0.432	S	S	*	.			trans	-68.3	81.6	163	-64.8	-166.3	152.5	0	0	110.1	L369 P373	L369-E371 PolarHBondContact O-N 3.46Å; E371-P373 WeakPolarHBondContact O-CD 3.3Å; E371-P373 WeakPolarHBondContact O-CG 3.41Å
372	D	61.6	Low	72.9	Confident	39 Å²	39	87.7 Å²	87.7	21%	0.209	45%	0.446	C	S	.	.			trans	-69.5	103.8	162.4	-81.2	-43.3	0	0	0	109.4	R370 F374 T382 F383 T384	R370-D372 VanDerWaalsContact C-N 3.27Å; R370-D372 PolarHBondContact O-N 2.89Å; D372-F374 VanDerWaalsContact C-N 3.28Å; D372-F374 PolarHBondContact O-N 3.21Å; D372-T382 VanDerWaalsContact CB-CB 3.43Å; D372-T382 VanDerWaalsContact OD2-CB 3.24Å; D372-T382 WeakPolarHBondContact OD2-CB 3.3Å; D372-T382 PolarHBondContact OD2-OG1 3.01Å; D372-F383 WeakPolarHBondContact OD1-CA 3.49Å; D372-T384 WeakPolarHBondContact OD1-CG2 3.49Å; D372-T384 PolarHBondContact OD1-N 3.36Å
373	P	69.1	Low	73	Confident	80 Å²	80	85.6 Å²	85.6	52%	0.519	43%	0.433	S	S	.	.			trans	-78.5	-20.2	-172.4	-10.8	30.4	0	0	0	111.5	E371 F383	E371-P373 WeakPolarHBondContact O-CD 3.3Å; E371-P373 WeakPolarHBondContact O-CG 3.41Å; P373-F383 WeakPolarHBondContact CD-O 3.44Å
374	F	73.7	Confident	72.8	Confident	63 Å²	63	82.1 Å²	82.1	28%	0.276	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	82.4	-171.1	-53.3	-71.4	0	0	0	109.5	D372 F383 L385 S386 L389	D372-F374 VanDerWaalsContact C-N 3.28Å; D372-F374 PolarHBondContact O-N 3.21Å; F374-F383 HydrophobicContact CB-CB 4.36Å; F374-F383 WeakPolarHBondContact CB-O 3.44Å; F374-F383 WeakPolarHBondContact CD2-O 3.44Å; F374-F383 PolarHBondContact N-O 3.31Å; F374-F383 PolarHBondContact O-N 3.15Å; F374-L385 VanDerWaalsContact CD2-C 3.42Å; F374-S386 VanDerWaalsContact CD2-N 3.29Å; F374-L389 HydrophobicContact CB-CB 3.99Å; F374-L389 HydrophobicContact CB-CD2 3.75Å; F374-L389 HydrophobicContact CB-CG 4.49Å
375	K	79	Confident	72.5	Confident	146 Å²	146	83.1 Å²	83.1	64%	0.635	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.3	177	-52.2	-165.6	178.9	-179.2	0	111	T382	K375-T382 HydrophobicContact CB-CG2 4.37Å; K375-T382 HydrophobicContact CD-CG2 4.11Å; K375-T382 HydrophobicContact CG-CG2 3.87Å
376	C	83.4	Confident	72.5	Confident	3 Å²	3	83.1 Å²	83.1	2%	0.02	43%	0.434	C	S	.	.			trans	-77.4	122.4	175.9	-175.3	0	0	0	0	110.9	V378 G380 K381 F383 L389 H396	C376-V378 VanDerWaalsContact C-N 3.26Å; C376-V378 PolarHBondContact O-N 3.34Å; C376-G380 WeakPolarHBondContact O-CA 3.44Å; C376-G380 PolarHBondContact O-N 2.8Å; C376-K381 WeakPolarHBondContact CB-O 3.23Å; C376-K381 PolarHBondContact N-O 3.35Å; C376-F383 HydrophobicContact CB-CE2 4.3Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; C376-H396 PolarHBondContact SG-NE2 3.47Å
377	P	77.5	Confident	72.6	Confident	107 Å²	107	81.4 Å²	81.4	70%	0.695	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.1	-177.3	27.9	-34.9	0	0	0	113.6
378	V	79.5	Confident	73	Confident	100 Å²	100	79.6 Å²	79.6	61%	0.606	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-37.2	-175.2	-175.4	0	0	0	0	112.6	C376 H396	C376-V378 VanDerWaalsContact C-N 3.26Å; C376-V378 PolarHBondContact O-N 3.34Å; V378-H396 HydrophobicContact CB-CB 4.38Å; V378-H396 HydrophobicContact CG1-CB 4.14Å; V378-H396 HydrophobicContact CG2-CB 4.2Å
379	C	79.7	Confident	73.6	Confident	50 Å²	50	76.7 Å²	76.7	34%	0.338	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	12.4	-171.7	71.4	0	0	0	0	114.6	K381 H392 H396	C379-K381 PolarHBondContact O-N 3.33Å; C379-H392 PolarHBondContact SG-NE2 3.17Å; C379-H396 VanDerWaalsContact SG-CE1 3.54Å; C379-H396 PolarHBondContact SG-NE2 2.81Å
380	G	77.9	Confident	74.3	Confident	51 Å²	51	76.4 Å²	76.4	53%	0.526	42%	0.416	S	S	.	.			trans	69	-14.4	177.5	0	0	0	0	0	116.4	C376 T382	C376-G380 WeakPolarHBondContact O-CA 3.44Å; C376-G380 PolarHBondContact O-N 2.8Å; G380-T382 WeakPolarHBondContact O-CG2 3.31Å; G380-T382 PolarHBondContact O-N 3Å
381	K	77.5	Confident	75.4	Confident	129 Å²	129	71 Å²	71	56%	0.561	40%	0.396	S	S	*	.			trans	-55.8	135.4	-178.4	-69.1	178.9	-176.7	174.2	0	111.2	C376 C379 F383	C376-K381 WeakPolarHBondContact CB-O 3.23Å; C376-K381 PolarHBondContact N-O 3.35Å; C379-K381 PolarHBondContact O-N 3.33Å; K381-F383 HydrophobicContact CB-CE2 3.91Å; K381-F383 HydrophobicContact CB-CZ 4.15Å; K381-F383 WeakPolarHBondContact O-CE2 3.42Å
382	T	75.7	Confident	76.8	Confident	63 Å²	63	65.2 Å²	65.2	39%	0.387	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147	-167.9	61.1	0	0	0	0	110.9	D372 K375 G380	D372-T382 VanDerWaalsContact CB-CB 3.43Å; D372-T382 VanDerWaalsContact OD2-CB 3.24Å; D372-T382 WeakPolarHBondContact OD2-CB 3.3Å; D372-T382 PolarHBondContact OD2-OG1 3.01Å; K375-T382 HydrophobicContact CB-CG2 4.37Å; K375-T382 HydrophobicContact CD-CG2 4.11Å; K375-T382 HydrophobicContact CG-CG2 3.87Å; G380-T382 WeakPolarHBondContact O-CG2 3.31Å; G380-T382 PolarHBondContact O-N 3Å
383	F	78.8	Confident	77.7	Confident	44 Å²	44	66.2 Å²	66.2	19%	0.193	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.2	-173.7	-59.7	-91.1	0	0	0	112.7	D372 P373 F374 C376 K381 L385 L389 H392	D372-F383 WeakPolarHBondContact OD1-CA 3.49Å; P373-F383 WeakPolarHBondContact CD-O 3.44Å; F374-F383 HydrophobicContact CB-CB 4.36Å; F374-F383 WeakPolarHBondContact CB-O 3.44Å; F374-F383 WeakPolarHBondContact CD2-O 3.44Å; F374-F383 PolarHBondContact N-O 3.31Å; F374-F383 PolarHBondContact O-N 3.15Å; C376-F383 HydrophobicContact CB-CE2 4.3Å; K381-F383 HydrophobicContact CB-CE2 3.91Å; K381-F383 HydrophobicContact CB-CZ 4.15Å; K381-F383 WeakPolarHBondContact O-CE2 3.42Å; F383-L385 VanDerWaalsContact C-N 3.31Å; F383-L385 PolarHBondContact O-N 3.23Å; F383-L389 HydrophobicContact CB-CB 4.27Å; F383-L389 HydrophobicContact CD2-CB 4.06Å; F383-L389 HydrophobicContact CD2-CD1 3.89Å; F383-L389 HydrophobicContact CE2-CD1 4.11Å; F383-L389 HydrophobicContact CG-CB 4.26Å; F383-H392 HydrophobicContact CE1-CB 4.09Å; F383-H392 HydrophobicContact CE2-CB 4.12Å; F383-H392 AromaticContact CE2-CD2 3.3Å; F383-H392 WeakPolarHBondContact CE2-CD2 3.24Å; F383-H392 AromaticContact CE2-CG 3.9Å; F383-H392 HydrophobicContact CZ-CB 3.61Å; F383-H392 AromaticContact CZ-CD2 3.29Å; F383-H392 WeakPolarHBondContact CZ-CD2 3.26Å; F383-H392 AromaticContact CZ-CG 3.44Å; F383-H392 VanDerWaalsContact CZ-CG 3.44Å
384	T	71.3	Confident	78.4	Confident	34 Å²	34	65.8 Å²	65.8	21%	0.209	36%	0.36	C	S	.	.	S	Bend	trans	-75.4	-15.8	177.1	55.4	0	0	0	0	114	T367 D372	T367-T384 HydrophobicContact CG2-CG2 4.25Å; D372-T384 WeakPolarHBondContact OD1-CG2 3.49Å; D372-T384 PolarHBondContact OD1-N 3.36Å
385	L	72.8	Confident	78.7	Confident	50 Å²	50	67 Å²	67	26%	0.262	37%	0.373	S	S	.	.			trans	-135.2	134	-175.3	-63	172.9	0	0	0	111.6	K363 F374 F383 A387 T388 L389	K363-L385 HydrophobicContact CD-CD2 4.45Å; K363-L385 HydrophobicContact CG-CD2 4.11Å; F374-L385 VanDerWaalsContact CD2-C 3.42Å; F383-L385 VanDerWaalsContact C-N 3.31Å; F383-L385 PolarHBondContact O-N 3.23Å; L385-A387 VanDerWaalsContact C-N 3.25Å; L385-A387 PolarHBondContact O-N 3.5Å; L385-T388 HydrophobicContact CB-CG2 4.26Å; L385-T388 HydrophobicContact CD1-CG2 4.38Å; L385-T388 PolarHBondContact O-N 3.1Å; L385-T388 VanDerWaalsContact O-N 3.12Å; L385-T388 PolarHBondContact O-OG1 2.9Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å
386	S	75.3	Confident	78.7	Confident	63 Å²	63	63.4 Å²	63.4	44%	0.441	36%	0.359	S	S	.	.	H	α-helix	trans	-59.6	-35.4	175	53.9	0	0	0	0	112.8	F374 T388 L389 L390	F374-S386 VanDerWaalsContact CD2-N 3.29Å; S386-T388 VanDerWaalsContact C-N 3.34Å; S386-T388 PolarHBondContact O-N 3.13Å; S386-L389 PolarHBondContact O-N 2.73Å; S386-L390 WeakPolarHBondContact O-CB 3.32Å; S386-L390 WeakPolarHBondContact O-CG 3.41Å; S386-L390 PolarHBondContact O-N 2.82Å
387	A	75.7	Confident	78.3	Confident	66 Å²	66	67.3 Å²	67.3	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-32.7	176.9	0	0	0	0	0	113.2	L385 R391	L385-A387 VanDerWaalsContact C-N 3.25Å; L385-A387 PolarHBondContact O-N 3.5Å; A387-R391 VanDerWaalsContact O-CB 3.29Å; A387-R391 WeakPolarHBondContact O-CB 3.42Å; A387-R391 PolarHBondContact O-N 3.24Å
388	T	79.4	Confident	78.3	Confident	29 Å²	29	64.6 Å²	64.6	18%	0.178	37%	0.374	C	S	.	.	H	α-helix	trans	-79.8	-33.2	176	57.7	0	0	0	0	111.5	L385 S386 R391 H392	L385-T388 HydrophobicContact CB-CG2 4.26Å; L385-T388 HydrophobicContact CD1-CG2 4.38Å; L385-T388 PolarHBondContact O-N 3.1Å; L385-T388 VanDerWaalsContact O-N 3.12Å; L385-T388 PolarHBondContact O-OG1 2.9Å; S386-T388 VanDerWaalsContact C-N 3.34Å; S386-T388 PolarHBondContact O-N 3.13Å; T388-R391 PolarHBondContact O-N 3.43Å; T388-H392 WeakPolarHBondContact O-CB 3.42Å; T388-H392 PolarHBondContact O-N 3.33Å
389	L	81.6	Confident	78.2	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-49.8	166.8	173.2	60.7	0	0	0	111.7	F374 C376 F383 L385 S386 R391 H392 Q393	F374-L389 HydrophobicContact CB-CB 3.99Å; F374-L389 HydrophobicContact CB-CD2 3.75Å; F374-L389 HydrophobicContact CB-CG 4.49Å; C376-L389 HydrophobicContact CB-CD1 3.66Å; F383-L389 HydrophobicContact CB-CB 4.27Å; F383-L389 HydrophobicContact CD2-CB 4.06Å; F383-L389 HydrophobicContact CD2-CD1 3.89Å; F383-L389 HydrophobicContact CE2-CD1 4.11Å; F383-L389 HydrophobicContact CG-CB 4.26Å; L385-L389 PolarHBondContact O-N 2.99Å; L385-L389 VanDerWaalsContact O-N 3.12Å; S386-L389 PolarHBondContact O-N 2.73Å; L389-R391 VanDerWaalsContact C-N 3.32Å; L389-R391 PolarHBondContact O-N 3.21Å; L389-H392 CarbonylContact O-C 3.21Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.43Å; L389-H392 PolarHBondContact O-N 3.25Å; L389-Q393 HydrophobicContact CD1-CG 3.96Å; L389-Q393 HydrophobicContact CG-CG 4.33Å; L389-Q393 WeakPolarHBondContact O-CG 3.5Å; L389-Q393 PolarHBondContact O-N 3.25Å
390	L	79.1	Confident	78.3	Confident	101 Å²	101	68.8 Å²	68.8	53%	0.529	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-41.7	178	-75.1	163.7	0	0	0	111.7	S386 H392 Q393	S386-L390 WeakPolarHBondContact O-CB 3.32Å; S386-L390 WeakPolarHBondContact O-CG 3.41Å; S386-L390 PolarHBondContact O-N 2.82Å; L390-H392 VanDerWaalsContact C-N 3.26Å; L390-H392 PolarHBondContact O-N 2.93Å; L390-Q393 PolarHBondContact O-N 3.4Å
391	R	80.8	Confident	78.5	Confident	108 Å²	108	69.7 Å²	69.7	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-32.4	172.8	-176.3	169.4	70.8	-174.4	3.1	112.3	A387 T388 L389 V413	A387-R391 VanDerWaalsContact O-CB 3.29Å; A387-R391 WeakPolarHBondContact O-CB 3.42Å; A387-R391 PolarHBondContact O-N 3.24Å; T388-R391 PolarHBondContact O-N 3.43Å; L389-R391 VanDerWaalsContact C-N 3.32Å; L389-R391 PolarHBondContact O-N 3.21Å; R391-V413 HydrophobicContact CG-CG2 4.02Å
392	H	82.9	Confident	78.9	Confident	25 Å²	25	67.7 Å²	67.7	12%	0.116	36%	0.362	C	S	.	.	H	α-helix	trans	-78.8	-36.4	175	172.6	47.5	0	0	0	113.3	C379 F383 T388 L389 L390 R394 T395 H396	C379-H392 PolarHBondContact SG-NE2 3.17Å; F383-H392 HydrophobicContact CE1-CB 4.09Å; F383-H392 HydrophobicContact CE2-CB 4.12Å; F383-H392 AromaticContact CE2-CD2 3.3Å; F383-H392 WeakPolarHBondContact CE2-CD2 3.24Å; F383-H392 AromaticContact CE2-CG 3.9Å; F383-H392 HydrophobicContact CZ-CB 3.61Å; F383-H392 AromaticContact CZ-CD2 3.29Å; F383-H392 WeakPolarHBondContact CZ-CD2 3.26Å; F383-H392 AromaticContact CZ-CG 3.44Å; F383-H392 VanDerWaalsContact CZ-CG 3.44Å; T388-H392 WeakPolarHBondContact O-CB 3.42Å; T388-H392 PolarHBondContact O-N 3.33Å; L389-H392 CarbonylContact O-C 3.21Å; L389-H392 WeakPolarHBondContact O-CA 3.49Å; L389-H392 WeakPolarHBondContact O-CB 3.43Å; L389-H392 PolarHBondContact O-N 3.25Å; L390-H392 VanDerWaalsContact C-N 3.26Å; L390-H392 PolarHBondContact O-N 2.93Å; H392-R394 PolarHBondContact O-N 3.31Å; H392-R394 VanDerWaalsContact O-N 3.15Å; H392-T395 PolarHBondContact CE1-OG1 3.29Å; H392-T395 PolarHBondContact ND1-OG1 3.16Å; H392-T395 VanDerWaalsContact ND1-OG1 3.16Å; H392-T395 WeakPolarHBondContact O-CB 3.35Å; H392-T395 PolarHBondContact O-N 3.09Å; H392-T395 PolarHBondContact O-OG1 3.29Å; H392-H396 AromaticContact CD2-NE2 3.91Å; H392-H396 AromaticContact CE1-CE1 3.77Å; H392-H396 AromaticContact CE1-NE2 3.14Å; H392-H396 PolarHBondContact CE1-NE2 3.14Å; H392-H396 AromaticContact NE2-CD2 3.88Å; H392-H396 AromaticContact NE2-CE1 3.9Å; H392-H396 AromaticContact NE2-NE2 2.99Å; H392-H396 PolarHBondContact NE2-NE2 3.23Å
393	Q	80.3	Confident	79.2	Confident	59 Å²	59	71.9 Å²	71.9	28%	0.276	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-30.6	179.3	-76.1	171.5	-55.8	0	0	112.3	L389 L390 T395 H396 T397	L389-Q393 HydrophobicContact CD1-CG 3.96Å; L389-Q393 HydrophobicContact CG-CG 4.33Å; L389-Q393 WeakPolarHBondContact O-CG 3.5Å; L389-Q393 PolarHBondContact O-N 3.25Å; L390-Q393 PolarHBondContact O-N 3.4Å; Q393-T395 PolarHBondContact O-N 3.05Å; Q393-T395 VanDerWaalsContact O-N 3.15Å; Q393-H396 WeakPolarHBondContact O-CB 3.06Å; Q393-H396 PolarHBondContact O-N 2.88Å; Q393-T397 PolarHBondContact O-N 2.87Å; Q393-T397 VanDerWaalsContact O-N 3.07Å
394	R	83.9	Confident	79.6	Confident	71 Å²	71	69.9 Å²	69.9	27%	0.268	37%	0.366	S	S	.	.	H	α-helix	trans	-57.2	-21.7	169.3	-65.7	-178	-174.5	159.2	4.8	115.1	H392 H396 G398 E399 S412	H392-R394 PolarHBondContact O-N 3.31Å; H392-R394 VanDerWaalsContact O-N 3.15Å; R394-H396 VanDerWaalsContact C-N 3.3Å; R394-G398 CarbonylContact O-C 3.19Å; R394-G398 PolarHBondContact O-N 3.19Å; R394-E399 HydrophobicContact CB-CB 4.21Å; R394-E399 HydrophobicContact CG-CB 4.01Å; R394-E399 PolarHBondContact O-N 2.88Å; R394-S412 PolarHBondContact NH1-O 3.02Å
395	T	79.9	Confident	80	Confident	90 Å²	90	72.4 Å²	72.4	55%	0.552	38%	0.383	S	S	*	.	H	α-helix	trans	-78.4	-16.8	173.5	73	0	0	0	0	112.7	H392 Q393	H392-T395 PolarHBondContact CE1-OG1 3.29Å; H392-T395 PolarHBondContact ND1-OG1 3.16Å; H392-T395 VanDerWaalsContact ND1-OG1 3.16Å; H392-T395 WeakPolarHBondContact O-CB 3.35Å; H392-T395 PolarHBondContact O-N 3.09Å; H392-T395 PolarHBondContact O-OG1 3.29Å; Q393-T395 PolarHBondContact O-N 3.05Å; Q393-T395 VanDerWaalsContact O-N 3.15Å
396	H	78.7	Confident	80.4	Confident	70 Å²	70	73.6 Å²	73.6	32%	0.324	39%	0.388	S	S	.	.	H	α-helix	trans	-96.2	-38.6	175.6	-58.2	-58.2	0	0	0	111.9	C376 V378 C379 H392 Q393 R394 G398	C376-H396 PolarHBondContact SG-NE2 3.47Å; V378-H396 HydrophobicContact CB-CB 4.38Å; V378-H396 HydrophobicContact CG1-CB 4.14Å; V378-H396 HydrophobicContact CG2-CB 4.2Å; C379-H396 VanDerWaalsContact SG-CE1 3.54Å; C379-H396 PolarHBondContact SG-NE2 2.81Å; H392-H396 AromaticContact CD2-NE2 3.91Å; H392-H396 AromaticContact CE1-CE1 3.77Å; H392-H396 AromaticContact CE1-NE2 3.14Å; H392-H396 PolarHBondContact CE1-NE2 3.14Å; H392-H396 AromaticContact NE2-CD2 3.88Å; H392-H396 AromaticContact NE2-CE1 3.9Å; H392-H396 AromaticContact NE2-NE2 2.99Å; H392-H396 PolarHBondContact NE2-NE2 3.23Å; Q393-H396 WeakPolarHBondContact O-CB 3.06Å; Q393-H396 PolarHBondContact O-N 2.88Å; R394-H396 VanDerWaalsContact C-N 3.3Å; H396-G398 VanDerWaalsContact C-N 3.28Å; H396-G398 PolarHBondContact O-N 2.99Å
397	T	76.8	Confident	80.7	Confident	84 Å²	84	70.6 Å²	70.6	52%	0.515	37%	0.367	S	S	.	.	H	α-helix	trans	-80.2	-8.5	176	61.8	0	0	0	0	113.6	Q393 E399	Q393-T397 PolarHBondContact O-N 2.87Å; Q393-T397 VanDerWaalsContact O-N 3.07Å; T397-E399 VanDerWaalsContact CB-OE1 3.29Å; T397-E399 WeakPolarHBondContact CB-OE1 3.38Å; T397-E399 PolarHBondContact O-N 3.04Å; T397-E399 WeakPolarHBondContact OG1-CB 3.28Å; T397-E399 VanDerWaalsContact OG1-CD 3.25Å; T397-E399 WeakPolarHBondContact OG1-CG 3.41Å; T397-E399 PolarHBondContact OG1-OE1 2.87Å
398	G	77.6	Confident	80.9	Confident	50 Å²	50	68.5 Å²	68.5	52%	0.515	35%	0.351	S	S	.	.			trans	70.5	2.9	-174.8	0	0	0	0	0	114.4	R394 H396 R400	R394-G398 CarbonylContact O-C 3.19Å; R394-G398 PolarHBondContact O-N 3.19Å; H396-G398 VanDerWaalsContact C-N 3.28Å; H396-G398 PolarHBondContact O-N 2.99Å; G398-R400 WeakPolarHBondContact O-CG 3.26Å; G398-R400 PolarHBondContact O-N 3.25Å
399	E	76.4	Confident	81	Confident	101 Å²	101	71 Å²	71	47%	0.472	36%	0.36	S	S	.	.			trans	-59.8	117.2	-178.1	-82.4	168.3	-115.7	0	0	112.5	R394 T397	R394-E399 HydrophobicContact CB-CB 4.21Å; R394-E399 HydrophobicContact CG-CB 4.01Å; R394-E399 PolarHBondContact O-N 2.88Å; T397-E399 VanDerWaalsContact CB-OE1 3.29Å; T397-E399 WeakPolarHBondContact CB-OE1 3.38Å; T397-E399 PolarHBondContact O-N 3.04Å; T397-E399 WeakPolarHBondContact OG1-CB 3.28Å; T397-E399 VanDerWaalsContact OG1-CD 3.25Å; T397-E399 WeakPolarHBondContact OG1-CG 3.41Å; T397-E399 PolarHBondContact OG1-OE1 2.87Å
400	R	82.3	Confident	81.1	Confident	137 Å²	137	71.5 Å²	71.5	52%	0.517	36%	0.364	S	S	.	.			trans	-128.6	77.9	177.5	-66.4	167.2	79.3	132	0.3	108.5	G398 Y402 S410 F411	G398-R400 WeakPolarHBondContact O-CG 3.26Å; G398-R400 PolarHBondContact O-N 3.25Å; R400-Y402 VanDerWaalsContact C-N 3.27Å; R400-Y402 PolarHBondContact O-N 3.39Å; R400-S410 PolarHBondContact NE-O 3.12Å; R400-S410 PolarHBondContact NH2-O 2.94Å; R400-S410 WeakPolarHBondContact O-CB 3.43Å; R400-F411 CarbonylContact C-O 3.53Å; R400-F411 VanDerWaalsContact CA-O 3.28Å; R400-F411 WeakPolarHBondContact CA-O 3.4Å
401	P	82.3	Confident	81.3	Confident	71 Å²	71	68.2 Å²	68.2	46%	0.461	35%	0.346	S	S	.	.			trans	-64.2	-30.2	-171.2	-23.2	35.1	0	0	0	113.7	K403	P401-K403 PolarHBondContact O-N 3.28Å; P401-K403 VanDerWaalsContact O-N 3.14Å
402	Y	84.7	Confident	81.3	Confident	87 Å²	87	64.5 Å²	64.5	34%	0.341	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	85.5	-173.3	-54.3	-76	0	0	0	110	R400 S410 F411	R400-Y402 VanDerWaalsContact C-N 3.27Å; R400-Y402 PolarHBondContact O-N 3.39Å; Y402-S410 CarbonylContact O-C 3.59Å; Y402-S410 WeakPolarHBondContact O-CA 3.44Å; Y402-F411 WeakPolarHBondContact CD2-O 3.02Å; Y402-F411 PolarHBondContact N-O 3.33Å; Y402-F411 VanDerWaalsContact N-O 3.07Å; Y402-F411 PolarHBondContact O-N 3.41Å
403	K	82.5	Confident	81.1	Confident	151 Å²	151	64.5 Å²	64.5	66%	0.657	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.3	174.2	-61.6	176.6	-175.4	171.9	0	110	P401	P401-K403 PolarHBondContact O-N 3.28Å; P401-K403 VanDerWaalsContact O-N 3.14Å
404	C	87.3	Confident	81.2	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.007	34%	0.343	C	S	.	.			trans	-74.6	132.9	165.2	-176	0	0	0	0	109.5	C407 G408 K409 L417	C404-C407 WeakPolarHBondContact CB-SG 3.41Å; C404-C407 PolarHBondContact SG-SG 3.29Å; C404-G408 WeakPolarHBondContact O-CA 3.44Å; C404-G408 PolarHBondContact O-N 3.37Å; C404-K409 WeakPolarHBondContact CB-O 3.32Å; C404-K409 PolarHBondContact N-O 2.76Å; C404-L417 VanDerWaalsContact CA-CD1 3.44Å; C404-L417 HydrophobicContact CB-CD1 3.4Å; C404-L417 VanDerWaalsContact CB-CD1 3.4Å
405	P	80.3	Confident	81.1	Confident	87 Å²	87	63.6 Å²	63.6	57%	0.565	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-56.9	176.3	24.8	-31	0	0	0	110.7	C407 G408	P405-C407 VanDerWaalsContact C-N 3.26Å; P405-C407 PolarHBondContact O-N 3.12Å; P405-C407 VanDerWaalsContact O-N 3.14Å; P405-G408 PolarHBondContact O-N 3.46Å
406	E	80.1	Confident	81.3	Confident	76 Å²	76	63 Å²	63	36%	0.355	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.9	-171.8	-62.4	151.3	-98.5	0	0	113.9	H424 A600	E406-H424 WeakPolarHBondContact OE2-CB 3.2Å; E406-H424 IonicContact OE2-CD2 3.53Å; E406-H424 IonicContact OE2-CG 2.76Å; E406-A600 WeakPolarHBondContact O-CB 3.41Å; E406-A600 PolarHBondContact O-N 3.33Å
407	C	83.1	Confident	81.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-2.3	-179	71.9	0	0	0	0	116.2	C404 P405 K409 H420 H424 K598 N599	C404-C407 WeakPolarHBondContact CB-SG 3.41Å; C404-C407 PolarHBondContact SG-SG 3.29Å; P405-C407 VanDerWaalsContact C-N 3.26Å; P405-C407 PolarHBondContact O-N 3.12Å; P405-C407 VanDerWaalsContact O-N 3.14Å; C407-K409 HydrophobicContact CB-CD 4.24Å; C407-K409 HydrophobicContact CB-CG 4.34Å; C407-K409 PolarHBondContact O-N 3.14Å; C407-K409 VanDerWaalsContact SG-CB 3.54Å; C407-H420 VanDerWaalsContact SG-CD2 3.55Å; C407-H420 PolarHBondContact SG-NE2 3.15Å; C407-H424 WeakPolarHBondContact CB-NE2 3.49Å; C407-K598 CarbonylContact O-C 3.56Å; C407-K598 WeakPolarHBondContact O-CB 3.33Å; C407-N599 VanDerWaalsContact CB-OD1 3.24Å; C407-N599 WeakPolarHBondContact CB-OD1 3.34Å
408	G	79.6	Confident	81.9	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	33%	0.329	C	S	.	.			trans	60.6	2.9	-176.2	0	0	0	0	0	116.2	C404 P405 K598	C404-G408 WeakPolarHBondContact O-CA 3.44Å; C404-G408 PolarHBondContact O-N 3.37Å; P405-G408 PolarHBondContact O-N 3.46Å; G408-K598 WeakPolarHBondContact O-CD 3.04Å
409	K	81.5	Confident	82.1	Confident	83 Å²	83	60.3 Å²	60.3	36%	0.361	32%	0.315	S	S	.	.			trans	-76.6	128.2	179.6	-65.8	168.3	177.5	121.3	0	109.6	C404 C407 F411 K598 N599	C404-K409 WeakPolarHBondContact CB-O 3.32Å; C404-K409 PolarHBondContact N-O 2.76Å; C407-K409 HydrophobicContact CB-CD 4.24Å; C407-K409 HydrophobicContact CB-CG 4.34Å; C407-K409 PolarHBondContact O-N 3.14Å; C407-K409 VanDerWaalsContact SG-CB 3.54Å; K409-F411 HydrophobicContact CB-CE2 4.18Å; K409-F411 HydrophobicContact CB-CZ 4.31Å; K409-F411 WeakPolarHBondContact O-CE2 3.46Å; K409-K598 VanDerWaalsContact CE-O 3.29Å; K409-K598 WeakPolarHBondContact CE-O 3.41Å; K409-K598 PolarHBondContact NZ-O 3.46Å; K409-N599 PolarHBondContact NZ-OD1 3.32Å
410	S	83.4	Confident	82.5	Confident	28 Å²	28	56.8 Å²	56.8	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.9	-176.3	-43.2	0	0	0	0	112	R400 Y402	R400-S410 PolarHBondContact NE-O 3.12Å; R400-S410 PolarHBondContact NH2-O 2.94Å; R400-S410 WeakPolarHBondContact O-CB 3.43Å; Y402-S410 CarbonylContact O-C 3.59Å; Y402-S410 WeakPolarHBondContact O-CA 3.44Å
411	F	83	Confident	82.5	Confident	32 Å²	32	52.3 Å²	52.3	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.6	175.8	-58.7	-87.8	0	0	0	111.5	R400 Y402 K409 V413 N416 L417 H420	R400-F411 CarbonylContact C-O 3.53Å; R400-F411 VanDerWaalsContact CA-O 3.28Å; R400-F411 WeakPolarHBondContact CA-O 3.4Å; Y402-F411 WeakPolarHBondContact CD2-O 3.02Å; Y402-F411 PolarHBondContact N-O 3.33Å; Y402-F411 VanDerWaalsContact N-O 3.07Å; Y402-F411 PolarHBondContact O-N 3.41Å; K409-F411 HydrophobicContact CB-CE2 4.18Å; K409-F411 HydrophobicContact CB-CZ 4.31Å; K409-F411 WeakPolarHBondContact O-CE2 3.46Å; F411-V413 VanDerWaalsContact C-N 3.34Å; F411-N416 HydrophobicContact CB-CB 4.25Å; F411-N416 HydrophobicContact CD1-CB 3.93Å; F411-N416 HydrophobicContact CG-CB 4.3Å; F411-L417 HydrophobicContact CB-CB 4.41Å; F411-L417 HydrophobicContact CD2-CB 3.92Å; F411-L417 HydrophobicContact CD2-CD1 4.03Å; F411-L417 HydrophobicContact CE2-CD1 4.19Å; F411-L417 HydrophobicContact CG-CB 4.38Å; F411-H420 HydrophobicContact CE1-CB 4.32Å; F411-H420 HydrophobicContact CE2-CB 3.84Å; F411-H420 AromaticContact CE2-CD2 3.66Å; F411-H420 AromaticContact CE2-CG 3.77Å; F411-H420 HydrophobicContact CZ-CB 3.6Å; F411-H420 AromaticContact CZ-CD2 3.61Å; F411-H420 AromaticContact CZ-CG 3.38Å; F411-H420 AromaticContact CZ-ND1 3.85Å
412	S	80.1	Confident	82.7	Confident	30 Å²	30	51.2 Å²	51.2	21%	0.21	27%	0.27	C	S	.	.	S	Bend	trans	-83.5	-9.3	177.5	52.4	0	0	0	0	113.8	R394	R394-S412 PolarHBondContact NH1-O 3.02Å
413	V	79.8	Confident	82.7	Confident	26 Å²	26	51.4 Å²	51.4	16%	0.158	28%	0.276	C	S	.	.	S	Bend	trans	-139.7	137.9	-178	-167.1	0	0	0	0	109.6	R391 F411 S415 N416 L417	R391-V413 HydrophobicContact CG-CG2 4.02Å; F411-V413 VanDerWaalsContact C-N 3.34Å; V413-S415 WeakPolarHBondContact CG1-OG 3.43Å; V413-N416 PolarHBondContact O-N 3.4Å; V413-L417 PolarHBondContact O-N 2.62Å
414	S	81.3	Confident	82.6	Confident	54 Å²	54	47.5 Å²	47.5	38%	0.378	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-40.3	-178.3	48	0	0	0	0	113.8	N416 L417 I418	S414-N416 PolarHBondContact O-N 3.24Å; S414-L417 WeakPolarHBondContact O-CA 3.16Å; S414-L417 WeakPolarHBondContact O-CB 3.05Å; S414-L417 PolarHBondContact O-N 3.03Å; S414-I418 PolarHBondContact O-N 3.3Å
415	S	81.9	Confident	82.3	Confident	57 Å²	57	55 Å²	55	40%	0.399	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-30	177.3	54.3	0	0	0	0	113	V413 N419	V413-S415 WeakPolarHBondContact CG1-OG 3.43Å; S415-N419 WeakPolarHBondContact O-CB 3.26Å; S415-N419 PolarHBondContact O-N 3.43Å; S415-N419 PolarHBondContact O-ND2 3.2Å
416	N	83.8	Confident	82.3	Confident	77 Å²	77	53.1 Å²	53.1	41%	0.412	28%	0.284	S	S	.	.	H	α-helix	trans	-72.8	-32.2	173.6	-69.2	-9.8	0	0	0	112.1	F411 V413 S414 H420	F411-N416 HydrophobicContact CB-CB 4.25Å; F411-N416 HydrophobicContact CD1-CB 3.93Å; F411-N416 HydrophobicContact CG-CB 4.3Å; V413-N416 PolarHBondContact O-N 3.4Å; S414-N416 PolarHBondContact O-N 3.24Å; N416-H420 VanDerWaalsContact O-CB 3.31Å; N416-H420 WeakPolarHBondContact O-CB 3.2Å; N416-H420 PolarHBondContact O-N 2.84Å; N416-H420 VanDerWaalsContact O-N 3.12Å
417	L	85	Confident	82.4	Confident	20 Å²	20	53 Å²	53	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-46.9	171	169.9	59.9	0	0	0	111	C404 F411 V413 S414 N419 H420 Q421	C404-L417 VanDerWaalsContact CA-CD1 3.44Å; C404-L417 HydrophobicContact CB-CD1 3.4Å; C404-L417 VanDerWaalsContact CB-CD1 3.4Å; F411-L417 HydrophobicContact CB-CB 4.41Å; F411-L417 HydrophobicContact CD2-CB 3.92Å; F411-L417 HydrophobicContact CD2-CD1 4.03Å; F411-L417 HydrophobicContact CE2-CD1 4.19Å; F411-L417 HydrophobicContact CG-CB 4.38Å; V413-L417 PolarHBondContact O-N 2.62Å; S414-L417 WeakPolarHBondContact O-CA 3.16Å; S414-L417 WeakPolarHBondContact O-CB 3.05Å; S414-L417 PolarHBondContact O-N 3.03Å; L417-N419 PolarHBondContact O-N 3.01Å; L417-H420 CarbonylContact O-C 3.58Å; L417-H420 WeakPolarHBondContact O-CA 3.26Å; L417-H420 VanDerWaalsContact O-CB 3.3Å; L417-H420 WeakPolarHBondContact O-CB 3.46Å; L417-H420 PolarHBondContact O-N 3.04Å; L417-Q421 HydrophobicContact CD1-CG 3.92Å; L417-Q421 HydrophobicContact CG-CG 4.45Å; L417-Q421 WeakPolarHBondContact O-CG 3.33Å; L417-Q421 PolarHBondContact O-N 2.89Å
418	I	83.1	Confident	82.4	Confident	87 Å²	87	59 Å²	59	45%	0.446	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-47.5	179.3	-64.6	165.3	0	0	0	110.6	S414 H420 Q421 R422	S414-I418 PolarHBondContact O-N 3.3Å; I418-H420 PolarHBondContact O-N 3.25Å; I418-Q421 PolarHBondContact O-N 3.4Å; I418-R422 PolarHBondContact O-N 3.16Å
419	N	82.8	Confident	82.6	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.214	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-22.5	173.9	-75.3	-42.4	0	0	0	113.3	S415 L417	S415-N419 WeakPolarHBondContact O-CB 3.26Å; S415-N419 PolarHBondContact O-N 3.43Å; S415-N419 PolarHBondContact O-ND2 3.2Å; L417-N419 PolarHBondContact O-N 3.01Å
420	H	85	Confident	82.9	Confident	28 Å²	28	60.2 Å²	60.2	13%	0.13	31%	0.311	C	S	.	.	H	α-helix	trans	-81.1	-41.2	173.8	-171	63.5	0	0	0	112.6	C407 F411 N416 L417 I418 R422 I423 H424	C407-H420 VanDerWaalsContact SG-CD2 3.55Å; C407-H420 PolarHBondContact SG-NE2 3.15Å; F411-H420 HydrophobicContact CE1-CB 4.32Å; F411-H420 HydrophobicContact CE2-CB 3.84Å; F411-H420 AromaticContact CE2-CD2 3.66Å; F411-H420 AromaticContact CE2-CG 3.77Å; F411-H420 HydrophobicContact CZ-CB 3.6Å; F411-H420 AromaticContact CZ-CD2 3.61Å; F411-H420 AromaticContact CZ-CG 3.38Å; F411-H420 AromaticContact CZ-ND1 3.85Å; N416-H420 VanDerWaalsContact O-CB 3.31Å; N416-H420 WeakPolarHBondContact O-CB 3.2Å; N416-H420 PolarHBondContact O-N 2.84Å; N416-H420 VanDerWaalsContact O-N 3.12Å; L417-H420 CarbonylContact O-C 3.58Å; L417-H420 WeakPolarHBondContact O-CA 3.26Å; L417-H420 VanDerWaalsContact O-CB 3.3Å; L417-H420 WeakPolarHBondContact O-CB 3.46Å; L417-H420 PolarHBondContact O-N 3.04Å; I418-H420 PolarHBondContact O-N 3.25Å; H420-R422 PolarHBondContact O-N 3.04Å; H420-I423 WeakPolarHBondContact O-CB 3.48Å; H420-I423 WeakPolarHBondContact O-CG1 3.45Å; H420-I423 PolarHBondContact O-N 3.3Å; H420-H424 AromaticContact NE2-NE2 3.57Å
421	Q	83.1	Confident	83	Confident	43 Å²	43	64.1 Å²	64.1	20%	0.201	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-33.2	177.4	-70.3	175.1	-76.1	0	0	112.2	L417 I418 I423 H424 R425	L417-Q421 HydrophobicContact CD1-CG 3.92Å; L417-Q421 HydrophobicContact CG-CG 4.45Å; L417-Q421 WeakPolarHBondContact O-CG 3.33Å; L417-Q421 PolarHBondContact O-N 2.89Å; I418-Q421 PolarHBondContact O-N 3.4Å; Q421-I423 PolarHBondContact O-N 3.32Å; Q421-I423 VanDerWaalsContact O-N 3.14Å; Q421-H424 PolarHBondContact O-N 3.12Å; Q421-R425 PolarHBondContact O-N 2.85Å; Q421-R425 VanDerWaalsContact O-N 3.13Å
422	R	85.8	Confident	83.3	Confident	47 Å²	47	62.6 Å²	62.6	18%	0.177	32%	0.322	C	S	.	.	H	α-helix	trans	-55.4	-26.5	169.3	-70.7	-180	179.6	177.9	-1.1	113.7	I418 H420 G426 E427 I440	I418-R422 PolarHBondContact O-N 3.16Å; H420-R422 PolarHBondContact O-N 3.04Å; R422-G426 CarbonylContact O-C 3.53Å; R422-G426 PolarHBondContact O-N 2.82Å; R422-E427 HydrophobicContact CB-CB 4.14Å; R422-E427 HydrophobicContact CG-CB 4.1Å; R422-E427 PolarHBondContact O-N 3.26Å; R422-I440 HydrophobicContact CB-CG2 3.62Å; R422-I440 HydrophobicContact CG-CG2 4.44Å; R422-I440 PolarHBondContact NH1-O 3.46Å
423	I	83.4	Confident	83.6	Confident	91 Å²	91	65.7 Å²	65.7	47%	0.467	35%	0.35	S	S	.	.	H	α-helix	trans	-68.7	-44.2	175.2	-52.9	179.2	0	0	0	110.7	H420 Q421 G426 I440	H420-I423 WeakPolarHBondContact O-CB 3.48Å; H420-I423 WeakPolarHBondContact O-CG1 3.45Å; H420-I423 PolarHBondContact O-N 3.3Å; Q421-I423 PolarHBondContact O-N 3.32Å; Q421-I423 VanDerWaalsContact O-N 3.14Å; I423-G426 PolarHBondContact O-N 3.21Å; I423-I440 HydrophobicContact CB-CD1 4.32Å; I423-I440 HydrophobicContact CG1-CD1 3.7Å
424	H	80.9	Confident	83.8	Confident	69 Å²	69	69.1 Å²	69.1	32%	0.319	37%	0.367	S	S	.	.	H	α-helix	trans	-69.7	-43.8	-178.7	-58.2	-43.8	0	0	0	112.1	E406 C407 H420 Q421 G426	E406-H424 WeakPolarHBondContact OE2-CB 3.2Å; E406-H424 IonicContact OE2-CD2 3.53Å; E406-H424 IonicContact OE2-CG 2.76Å; C407-H424 WeakPolarHBondContact CB-NE2 3.49Å; H420-H424 AromaticContact NE2-NE2 3.57Å; Q421-H424 PolarHBondContact O-N 3.12Å; H424-G426 PolarHBondContact O-N 2.85Å
425	R	81.2	Confident	84	Confident	160 Å²	160	69 Å²	69	60%	0.604	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.7	177.1	-61.6	-176.5	179.6	179.9	-1.8	114.4	Q421 E427	Q421-R425 PolarHBondContact O-N 2.85Å; Q421-R425 VanDerWaalsContact O-N 3.13Å; R425-E427 HydrophobicContact CB-CB 4.49Å; R425-E427 HydrophobicContact CB-CG 3.88Å; R425-E427 WeakPolarHBondContact CD-OE1 3.44Å; R425-E427 IonicContact CZ-OE1 3.55Å; R425-E427 IonicContact NE-OE1 3.73Å; R425-E427 IonicContact NH1-OE1 3.77Å; R425-E427 PolarHBondContact NH1-OE1 3.01Å; R425-E427 PolarHBondContact O-N 3.08Å; R425-E427 VanDerWaalsContact O-N 3.17Å
426	G	79.4	Confident	84.1	Confident	46 Å²	46	68.7 Å²	68.7	47%	0.474	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	9.9	-172.3	0	0	0	0	0	114.6	R422 I423 H424 R428	R422-G426 CarbonylContact O-C 3.53Å; R422-G426 PolarHBondContact O-N 2.82Å; I423-G426 PolarHBondContact O-N 3.21Å; H424-G426 PolarHBondContact O-N 2.85Å; G426-R428 WeakPolarHBondContact O-CG 3.45Å; G426-R428 PolarHBondContact O-N 3.06Å
427	E	82.7	Confident	84.1	Confident	75 Å²	75	70.9 Å²	70.9	35%	0.35	38%	0.378	S	S	.	.			trans	-64.3	115.4	-179.4	-75.7	177.7	-153.7	0	0	110.7	R422 R425	R422-E427 HydrophobicContact CB-CB 4.14Å; R422-E427 HydrophobicContact CG-CB 4.1Å; R422-E427 PolarHBondContact O-N 3.26Å; R425-E427 HydrophobicContact CB-CB 4.49Å; R425-E427 HydrophobicContact CB-CG 3.88Å; R425-E427 WeakPolarHBondContact CD-OE1 3.44Å; R425-E427 IonicContact CZ-OE1 3.55Å; R425-E427 IonicContact NE-OE1 3.73Å; R425-E427 IonicContact NH1-OE1 3.77Å; R425-E427 PolarHBondContact NH1-OE1 3.01Å; R425-E427 PolarHBondContact O-N 3.08Å; R425-E427 VanDerWaalsContact O-N 3.17Å
428	R	83.9	Confident	84.2	Confident	124 Å²	124	71.8 Å²	71.8	47%	0.468	39%	0.386	S	S	.	.			trans	-129.3	70.3	-177.3	-64.6	166.4	85	103.7	5.3	110.5	G426 Y430 S438 F439 I440	G426-R428 WeakPolarHBondContact O-CG 3.45Å; G426-R428 PolarHBondContact O-N 3.06Å; R428-Y430 PolarHBondContact O-N 3.17Å; R428-Y430 VanDerWaalsContact O-N 3.13Å; R428-S438 WeakPolarHBondContact CB-OG 3.4Å; R428-S438 WeakPolarHBondContact CD-OG 3.31Å; R428-S438 VanDerWaalsContact CZ-O 3.32Å; R428-S438 PolarHBondContact NE-O 3.02Å; R428-S438 PolarHBondContact NE-OG 3.19Å; R428-S438 PolarHBondContact NH2-O 3.46Å; R428-F439 CarbonylContact C-O 3.6Å; R428-F439 VanDerWaalsContact CA-O 3.32Å; R428-F439 WeakPolarHBondContact CA-O 3.35Å; R428-I440 HydrophobicContact CG-CG1 3.83Å
429	P	83.6	Confident	84.3	Confident	70 Å²	70	69.5 Å²	69.5	46%	0.455	37%	0.373	S	S	.	.			trans	-65.3	-21.1	-165.5	-22	34.7	0	0	0	114.9
430	Y	87.1	Confident	84.4	Confident	60 Å²	60	69.1 Å²	69.1	24%	0.235	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	95.5	-172	-52.3	-78.3	0	0	0	109.7	R428 F439 I440 S442	R428-Y430 PolarHBondContact O-N 3.17Å; R428-Y430 VanDerWaalsContact O-N 3.13Å; Y430-F439 WeakPolarHBondContact CD2-O 3.42Å; Y430-F439 PolarHBondContact N-O 3.25Å; Y430-F439 VanDerWaalsContact N-O 3.1Å; Y430-F439 PolarHBondContact O-N 3.44Å; Y430-I440 WeakPolarHBondContact CE2-O 3.23Å; Y430-S442 VanDerWaalsContact CD2-N 3.3Å
431	I	85.8	Confident	84.3	Confident	111 Å²	111	71.3 Å²	71.3	57%	0.569	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.3	-178.9	-55.4	177.2	0	0	0	110	L445	I431-L445 WeakPolarHBondContact O-CD2 3.05Å
432	C	90.3	Very high	84.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.388	C	S	.	.			trans	-81.3	116.2	171.5	174.4	0	0	0	0	110.3	D434 C435 G436 K437 F439 L445 H452	C432-D434 VanDerWaalsContact C-N 3.25Å; C432-D434 PolarHBondContact O-N 3.32Å; C432-D434 PolarHBondContact SG-OD2 3.05Å; C432-C435 PolarHBondContact O-N 3.38Å; C432-G436 VanDerWaalsContact O-CA 3.3Å; C432-G436 WeakPolarHBondContact O-CA 3.45Å; C432-G436 PolarHBondContact O-N 2.92Å; C432-K437 WeakPolarHBondContact CB-O 3.49Å; C432-K437 PolarHBondContact N-O 3.46Å; C432-F439 HydrophobicContact CB-CE2 4.32Å; C432-L445 HydrophobicContact CB-CD1 3.5Å; C432-H452 VanDerWaalsContact SG-CD2 3.6Å; C432-H452 PolarHBondContact SG-NE2 3.14Å
433	A	86.2	Confident	84.1	Confident	95 Å²	95	72.4 Å²	72.4	79%	0.785	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.6	177	0	0	0	0	0	112.1	C435	A433-C435 VanDerWaalsContact C-N 3.26Å; A433-C435 PolarHBondContact O-N 2.74Å
434	D	83.3	Confident	84.2	Confident	97 Å²	97	69.4 Å²	69.4	52%	0.519	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.5	-171	-30.7	-79.3	0	0	0	114.1	C432 H452	C432-D434 VanDerWaalsContact C-N 3.25Å; C432-D434 PolarHBondContact O-N 3.32Å; C432-D434 PolarHBondContact SG-OD2 3.05Å; D434-H452 HydrophobicContact CB-CB 4.3Å; D434-H452 IonicContact OD2-CD2 3.79Å; D434-H452 PolarHBondContact OD2-CD2 3.35Å; D434-H452 VanDerWaalsContact OD2-CD2 3.31Å
435	C	86.7	Confident	84.5	Confident	51 Å²	51	67.1 Å²	67.1	35%	0.345	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.8	13.9	-177.3	71.4	0	0	0	0	116.2	C432 A433 K437 H448 H452	C432-C435 PolarHBondContact O-N 3.38Å; A433-C435 VanDerWaalsContact C-N 3.26Å; A433-C435 PolarHBondContact O-N 2.74Å; C435-K437 PolarHBondContact O-N 3.15Å; C435-H448 PolarHBondContact SG-NE2 3.4Å; C435-H452 PolarHBondContact SG-NE2 3.27Å; C435-H452 VanDerWaalsContact SG-NE2 3.4Å
436	G	82.7	Confident	84.6	Confident	52 Å²	52	62.7 Å²	62.7	54%	0.536	37%	0.365	S	S	.	.			trans	67.1	-3.8	178.5	0	0	0	0	0	116.6	C432 S438	C432-G436 VanDerWaalsContact O-CA 3.3Å; C432-G436 WeakPolarHBondContact O-CA 3.45Å; C432-G436 PolarHBondContact O-N 2.92Å; G436-S438 PolarHBondContact O-N 3.37Å
437	K	85.1	Confident	84.8	Confident	123 Å²	123	66.3 Å²	66.3	54%	0.535	36%	0.364	S	S	.	.			trans	-68.4	126.3	-175	-71	174.5	-173.6	165.8	0	111.2	C432 C435 F439	C432-K437 WeakPolarHBondContact CB-O 3.49Å; C432-K437 PolarHBondContact N-O 3.46Å; C435-K437 PolarHBondContact O-N 3.15Å; K437-F439 HydrophobicContact CB-CE2 3.86Å; K437-F439 HydrophobicContact CB-CZ 4.12Å; K437-F439 VanDerWaalsContact O-CD2 3.3Å; K437-F439 WeakPolarHBondContact O-CD2 3.34Å; K437-F439 WeakPolarHBondContact O-CE2 3.48Å
438	S	86	Confident	85	Confident	39 Å²	39	63.8 Å²	63.8	27%	0.273	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.4	-175.5	65.5	0	0	0	0	113	R428 G436	R428-S438 WeakPolarHBondContact CB-OG 3.4Å; R428-S438 WeakPolarHBondContact CD-OG 3.31Å; R428-S438 VanDerWaalsContact CZ-O 3.32Å; R428-S438 PolarHBondContact NE-O 3.02Å; R428-S438 PolarHBondContact NE-OG 3.19Å; R428-S438 PolarHBondContact NH2-O 3.46Å; G436-S438 PolarHBondContact O-N 3.37Å
439	F	86.1	Confident	85.1	Confident	39 Å²	39	61.1 Å²	61.1	17%	0.171	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.3	-173	-62.7	-87.3	0	0	0	112.2	R428 Y430 C432 K437 L445 H448	R428-F439 CarbonylContact C-O 3.6Å; R428-F439 VanDerWaalsContact CA-O 3.32Å; R428-F439 WeakPolarHBondContact CA-O 3.35Å; Y430-F439 WeakPolarHBondContact CD2-O 3.42Å; Y430-F439 PolarHBondContact N-O 3.25Å; Y430-F439 VanDerWaalsContact N-O 3.1Å; Y430-F439 PolarHBondContact O-N 3.44Å; C432-F439 HydrophobicContact CB-CE2 4.32Å; K437-F439 HydrophobicContact CB-CE2 3.86Å; K437-F439 HydrophobicContact CB-CZ 4.12Å; K437-F439 VanDerWaalsContact O-CD2 3.3Å; K437-F439 WeakPolarHBondContact O-CD2 3.34Å; K437-F439 WeakPolarHBondContact O-CE2 3.48Å; F439-L445 HydrophobicContact CB-CB 4.35Å; F439-L445 HydrophobicContact CD2-CB 4.09Å; F439-L445 HydrophobicContact CD2-CD1 4.01Å; F439-L445 HydrophobicContact CE2-CD1 4.23Å; F439-L445 HydrophobicContact CG-CB 4.37Å; F439-H448 HydrophobicContact CE1-CB 4.18Å; F439-H448 HydrophobicContact CE2-CB 4.01Å; F439-H448 AromaticContact CE2-CD2 3.32Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.4Å; F439-H448 AromaticContact CE2-CG 3.76Å; F439-H448 HydrophobicContact CZ-CB 3.63Å; F439-H448 AromaticContact CZ-CD2 3.38Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.47Å; F439-H448 AromaticContact CZ-CG 3.37Å
440	I	83.8	Confident	85.2	Confident	32 Å²	32	59.4 Å²	59.4	16%	0.164	33%	0.329	C	S	.	.	S	Bend	trans	-82.9	-21.8	-177	-60.4	-179	0	0	0	112.2	R422 I423 R428 Y430	R422-I440 HydrophobicContact CB-CG2 3.62Å; R422-I440 HydrophobicContact CG-CG2 4.44Å; R422-I440 PolarHBondContact NH1-O 3.46Å; I423-I440 HydrophobicContact CB-CD1 4.32Å; I423-I440 HydrophobicContact CG1-CD1 3.7Å; R428-I440 HydrophobicContact CG-CG1 3.83Å; Y430-I440 WeakPolarHBondContact CE2-O 3.23Å
441	M	82.8	Confident	85.1	Confident	73 Å²	73	61.1 Å²	61.1	36%	0.36	34%	0.341	S	S	.	.	S	Bend	trans	-136.5	136.1	-177.9	-58	175.1	73.2	0	0	111.6	S443 T444 L445	M441-S443 VanDerWaalsContact C-N 3.3Å; M441-S443 PolarHBondContact O-N 2.95Å; M441-T444 HydrophobicContact CB-CG2 4.2Å; M441-T444 PolarHBondContact O-N 2.96Å; M441-T444 PolarHBondContact O-OG1 3.12Å; M441-L445 PolarHBondContact O-N 2.84Å
442	S	82.4	Confident	85	Confident	48 Å²	48	59.5 Å²	59.5	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-52.8	-43.6	176.3	54.8	0	0	0	0	112.9	Y430 T444 L445 I446	Y430-S442 VanDerWaalsContact CD2-N 3.3Å; S442-T444 PolarHBondContact O-N 2.84Å; S442-T444 VanDerWaalsContact O-N 3.16Å; S442-L445 WeakPolarHBondContact O-CB 3.29Å; S442-L445 PolarHBondContact O-N 3.32Å; S442-I446 WeakPolarHBondContact O-CG1 3.38Å; S442-I446 PolarHBondContact O-N 3.31Å
443	S	82.3	Confident	84.5	Confident	65 Å²	65	63.7 Å²	63.7	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-25.8	176.6	63.9	0	0	0	0	113.9	M441 R447	M441-S443 VanDerWaalsContact C-N 3.3Å; M441-S443 PolarHBondContact O-N 2.95Å; S443-R447 VanDerWaalsContact O-CB 3.3Å; S443-R447 WeakPolarHBondContact O-CB 3.46Å; S443-R447 PolarHBondContact O-N 3.29Å
444	T	85.8	Confident	84.3	Confident	29 Å²	29	60.9 Å²	60.9	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-83.7	-30.6	174.8	63.7	0	0	0	0	112.9	M441 S442 H448	M441-T444 HydrophobicContact CB-CG2 4.2Å; M441-T444 PolarHBondContact O-N 2.96Å; M441-T444 PolarHBondContact O-OG1 3.12Å; S442-T444 PolarHBondContact O-N 2.84Å; S442-T444 VanDerWaalsContact O-N 3.16Å; T444-H448 WeakPolarHBondContact O-CB 3.44Å; T444-H448 PolarHBondContact O-N 3.11Å; T444-H448 VanDerWaalsContact O-N 3.14Å
445	L	87.4	Confident	84.1	Confident	20 Å²	20	60.5 Å²	60.5	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-66.7	-50.5	168.7	169.2	60	0	0	0	111.2	I431 C432 F439 M441 S442 R447 H448 Q449	I431-L445 WeakPolarHBondContact O-CD2 3.05Å; C432-L445 HydrophobicContact CB-CD1 3.5Å; F439-L445 HydrophobicContact CB-CB 4.35Å; F439-L445 HydrophobicContact CD2-CB 4.09Å; F439-L445 HydrophobicContact CD2-CD1 4.01Å; F439-L445 HydrophobicContact CE2-CD1 4.23Å; F439-L445 HydrophobicContact CG-CB 4.37Å; M441-L445 PolarHBondContact O-N 2.84Å; S442-L445 WeakPolarHBondContact O-CB 3.29Å; S442-L445 PolarHBondContact O-N 3.32Å; L445-R447 PolarHBondContact O-N 3.26Å; L445-H448 CarbonylContact O-C 3.57Å; L445-H448 VanDerWaalsContact O-CA 3.31Å; L445-H448 WeakPolarHBondContact O-CA 3.22Å; L445-H448 VanDerWaalsContact O-CB 3.3Å; L445-H448 WeakPolarHBondContact O-CB 3.48Å; L445-H448 PolarHBondContact O-N 3.46Å; L445-Q449 HydrophobicContact CD1-CG 3.99Å; L445-Q449 HydrophobicContact CG-CG 4.45Å; L445-Q449 PolarHBondContact O-N 3.47Å
446	I	83.5	Confident	84	Confident	67 Å²	67	63.4 Å²	63.4	34%	0.344	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-36.4	179.5	-63.1	162	0	0	0	111.1	S442 H448	S442-I446 WeakPolarHBondContact O-CG1 3.38Å; S442-I446 PolarHBondContact O-N 3.31Å; I446-H448 VanDerWaalsContact C-N 3.28Å; I446-H448 PolarHBondContact O-N 3.18Å
447	R	83.9	Confident	84.1	Confident	123 Å²	123	63.9 Å²	63.9	46%	0.464	33%	0.333	S	S	.	.	H	α-helix	trans	-70.2	-22.9	172.9	-174.4	-177.3	66	-173.2	-1.4	113.2	S443 L445	S443-R447 VanDerWaalsContact O-CB 3.3Å; S443-R447 WeakPolarHBondContact O-CB 3.46Å; S443-R447 PolarHBondContact O-N 3.29Å; L445-R447 PolarHBondContact O-N 3.26Å
448	H	86.6	Confident	84.1	Confident	21 Å²	21	62 Å²	62	10%	0.097	32%	0.323	C	S	.	.	H	α-helix	trans	-83.9	-39.1	175.5	172.9	56	0	0	0	112.2	C435 F439 T444 L445 I446 R450 I451 H452	C435-H448 PolarHBondContact SG-NE2 3.4Å; F439-H448 HydrophobicContact CE1-CB 4.18Å; F439-H448 HydrophobicContact CE2-CB 4.01Å; F439-H448 AromaticContact CE2-CD2 3.32Å; F439-H448 WeakPolarHBondContact CE2-CD2 3.4Å; F439-H448 AromaticContact CE2-CG 3.76Å; F439-H448 HydrophobicContact CZ-CB 3.63Å; F439-H448 AromaticContact CZ-CD2 3.38Å; F439-H448 WeakPolarHBondContact CZ-CD2 3.47Å; F439-H448 AromaticContact CZ-CG 3.37Å; T444-H448 WeakPolarHBondContact O-CB 3.44Å; T444-H448 PolarHBondContact O-N 3.11Å; T444-H448 VanDerWaalsContact O-N 3.14Å; L445-H448 CarbonylContact O-C 3.57Å; L445-H448 VanDerWaalsContact O-CA 3.31Å; L445-H448 WeakPolarHBondContact O-CA 3.22Å; L445-H448 VanDerWaalsContact O-CB 3.3Å; L445-H448 WeakPolarHBondContact O-CB 3.48Å; L445-H448 PolarHBondContact O-N 3.46Å; I446-H448 VanDerWaalsContact C-N 3.28Å; I446-H448 PolarHBondContact O-N 3.18Å; H448-R450 PolarHBondContact O-N 3.34Å; H448-I451 VanDerWaalsContact O-CB 3.23Å; H448-I451 WeakPolarHBondContact O-CB 3.46Å; H448-I451 WeakPolarHBondContact O-CG1 3.28Å; H448-I451 PolarHBondContact O-N 2.81Å; H448-H452 AromaticContact CD2-NE2 3.85Å; H448-H452 AromaticContact CE1-CE1 3.83Å; H448-H452 AromaticContact CE1-NE2 3.55Å; H448-H452 AromaticContact NE2-CE1 3.81Å; H448-H452 AromaticContact NE2-NE2 3.17Å; H448-H452 PolarHBondContact NE2-NE2 3.26Å; H448-H452 VanDerWaalsContact NE2-NE2 3.17Å
449	Q	85.6	Confident	84	Confident	68 Å²	68	67.4 Å²	67.4	32%	0.318	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-31.9	177.4	-72.3	171.2	-66.3	0	0	112.8	L445 I451 H452 T453	L445-Q449 HydrophobicContact CD1-CG 3.99Å; L445-Q449 HydrophobicContact CG-CG 4.45Å; L445-Q449 PolarHBondContact O-N 3.47Å; Q449-I451 PolarHBondContact O-N 3.1Å; Q449-H452 WeakPolarHBondContact O-CA 3.44Å; Q449-H452 PolarHBondContact O-N 3.46Å; Q449-T453 PolarHBondContact O-N 2.71Å
450	R	86.1	Confident	84.2	Confident	35 Å²	35	65.7 Å²	65.7	13%	0.132	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-12.4	170.6	-67.5	-173.5	170.5	164.2	2.1	115.7	H448 G454 E455 I468	H448-R450 PolarHBondContact O-N 3.34Å; R450-G454 PolarHBondContact O-N 3.15Å; R450-E455 HydrophobicContact CB-CB 4.17Å; R450-E455 HydrophobicContact CG-CB 4.01Å; R450-E455 IonicContact NE-OE2 3.74Å; R450-E455 PolarHBondContact NE-OE2 3.27Å; R450-E455 PolarHBondContact O-N 3.09Å; R450-I468 HydrophobicContact CB-CG2 3.69Å
451	I	84.5	Confident	84.3	Confident	95 Å²	95	69.7 Å²	69.7	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-77.8	-34.9	171.3	-57.6	-179.5	0	0	0	109.9	H448 Q449 I468	H448-I451 VanDerWaalsContact O-CB 3.23Å; H448-I451 WeakPolarHBondContact O-CB 3.46Å; H448-I451 WeakPolarHBondContact O-CG1 3.28Å; H448-I451 PolarHBondContact O-N 2.81Å; Q449-I451 PolarHBondContact O-N 3.1Å; I451-I468 HydrophobicContact CG1-CD1 4.24Å
452	H	83.3	Confident	84.3	Confident	78 Å²	78	70 Å²	70	36%	0.361	37%	0.369	S	S	.	.	H	α-helix	trans	-83.2	-43	179.6	-49.5	-50.1	0	0	0	111.7	C432 D434 C435 H448 Q449 G454	C432-H452 VanDerWaalsContact SG-CD2 3.6Å; C432-H452 PolarHBondContact SG-NE2 3.14Å; D434-H452 HydrophobicContact CB-CB 4.3Å; D434-H452 IonicContact OD2-CD2 3.79Å; D434-H452 PolarHBondContact OD2-CD2 3.35Å; D434-H452 VanDerWaalsContact OD2-CD2 3.31Å; C435-H452 PolarHBondContact SG-NE2 3.27Å; C435-H452 VanDerWaalsContact SG-NE2 3.4Å; H448-H452 AromaticContact CD2-NE2 3.85Å; H448-H452 AromaticContact CE1-CE1 3.83Å; H448-H452 AromaticContact CE1-NE2 3.55Å; H448-H452 AromaticContact NE2-CE1 3.81Å; H448-H452 AromaticContact NE2-NE2 3.17Å; H448-H452 PolarHBondContact NE2-NE2 3.26Å; H448-H452 VanDerWaalsContact NE2-NE2 3.17Å; Q449-H452 WeakPolarHBondContact O-CA 3.44Å; Q449-H452 PolarHBondContact O-N 3.46Å; H452-G454 PolarHBondContact O-N 2.85Å
453	T	81.4	Confident	84.4	Confident	87 Å²	87	70.4 Å²	70.4	53%	0.534	37%	0.371	S	S	.	.	S	Bend	trans	-72.4	-8.3	174	68.5	0	0	0	0	113.3	Q449 E455	Q449-T453 PolarHBondContact O-N 2.71Å; T453-E455 PolarHBondContact O-N 3.22Å; T453-E455 WeakPolarHBondContact OG1-CG 3.35Å; T453-E455 PolarHBondContact OG1-OE1 2.65Å
454	G	80.3	Confident	84.4	Confident	37 Å²	37	69.7 Å²	69.7	38%	0.381	37%	0.374	S	S	.	.			trans	67.9	-0.4	-177.8	0	0	0	0	0	115.3	R450 H452 K456	R450-G454 PolarHBondContact O-N 3.15Å; H452-G454 PolarHBondContact O-N 2.85Å; G454-K456 WeakPolarHBondContact O-CG 3.47Å; G454-K456 PolarHBondContact O-N 3.45Å
455	E	80.8	Confident	84.4	Confident	88 Å²	88	74.5 Å²	74.5	41%	0.411	39%	0.392	S	S	.	.			trans	-50.6	120.6	-177.1	-89.8	171.7	-116.4	0	0	113.1	R450 T453 P457	R450-E455 HydrophobicContact CB-CB 4.17Å; R450-E455 HydrophobicContact CG-CB 4.01Å; R450-E455 IonicContact NE-OE2 3.74Å; R450-E455 PolarHBondContact NE-OE2 3.27Å; R450-E455 PolarHBondContact O-N 3.09Å; T453-E455 PolarHBondContact O-N 3.22Å; T453-E455 WeakPolarHBondContact OG1-CG 3.35Å; T453-E455 PolarHBondContact OG1-OE1 2.65Å; E455-P457 WeakPolarHBondContact O-CD 3.32Å
456	K	84.8	Confident	84.4	Confident	112 Å²	112	75.6 Å²	75.6	49%	0.487	40%	0.402	S	S	.	.			trans	-123.8	72.2	176.8	-72.7	153.3	-176.3	168.2	0	110.9	G454 Y458 S466 F467 I468	G454-K456 WeakPolarHBondContact O-CG 3.47Å; G454-K456 PolarHBondContact O-N 3.45Å; K456-Y458 PolarHBondContact O-N 3.02Å; K456-Y458 VanDerWaalsContact O-N 3.15Å; K456-S466 WeakPolarHBondContact CD-O 3.48Å; K456-F467 CarbonylContact C-O 3.16Å; K456-F467 VanDerWaalsContact C-O 3.28Å; K456-F467 WeakPolarHBondContact CA-O 3.4Å; K456-I468 HydrophobicContact CG-CG1 3.84Å
457	P	84.1	Confident	84.5	Confident	63 Å²	63	74.6 Å²	74.6	41%	0.409	40%	0.395	S	S	.	.			trans	-64	-22.2	-172.9	-22.3	34.7	0	0	0	114.2	E455 K459	E455-P457 WeakPolarHBondContact O-CD 3.32Å; P457-K459 PolarHBondContact O-N 3.24Å
458	Y	84.9	Confident	84.5	Confident	83 Å²	83	70.7 Å²	70.7	33%	0.325	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	84.4	-172.9	-54.2	-73.5	0	0	0	110.2	K456 F467 I468 S470	K456-Y458 PolarHBondContact O-N 3.02Å; K456-Y458 VanDerWaalsContact O-N 3.15Å; Y458-F467 WeakPolarHBondContact CB-O 3.44Å; Y458-F467 WeakPolarHBondContact CD2-O 3.21Å; Y458-F467 PolarHBondContact N-O 3.42Å; Y458-F467 VanDerWaalsContact N-O 3.14Å; Y458-F467 PolarHBondContact O-N 3.18Å; Y458-I468 WeakPolarHBondContact CE2-O 3.19Å; Y458-S470 VanDerWaalsContact CD2-N 3.29Å
459	K	84.4	Confident	84.3	Confident	153 Å²	153	74.4 Å²	74.4	67%	0.665	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	142.2	176.5	-51.4	-162.4	177	176.3	0	111.5	P457 S466 L473	P457-K459 PolarHBondContact O-N 3.24Å; K459-S466 WeakPolarHBondContact CG-OG 3.38Å; K459-L473 WeakPolarHBondContact O-CD2 3.32Å
460	C	89.6	Confident	84.2	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.014	40%	0.4	C	S	.	.			trans	-92	112.8	174.8	-169.5	0	0	0	0	110.5	D462 C463 G464 K465 F467 L473	C460-D462 PolarHBondContact O-N 3.36Å; C460-C463 PolarHBondContact O-N 3.4Å; C460-G464 WeakPolarHBondContact O-CA 3.37Å; C460-G464 PolarHBondContact O-N 3.29Å; C460-K465 WeakPolarHBondContact CB-O 3.38Å; C460-K465 PolarHBondContact N-O 3.21Å; C460-F467 HydrophobicContact CB-CE2 4.43Å; C460-L473 HydrophobicContact CB-CD1 3.51Å
461	S	85.4	Confident	84.1	Confident	117 Å²	117	75.3 Å²	75.3	82%	0.818	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.4	176.8	-45.9	0	0	0	0	112.4	C463	S461-C463 VanDerWaalsContact C-N 3.32Å; S461-C463 PolarHBondContact O-N 3.31Å
462	D	82.8	Confident	84.1	Confident	80 Å²	80	74.1 Å²	74.1	43%	0.428	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17	-171.3	-42	-59.9	0	0	0	113.9	C460 R477 H480	C460-D462 PolarHBondContact O-N 3.36Å; D462-R477 IonicContact OD2-CZ 3.03Å; D462-R477 IonicContact OD2-NE 2.83Å; D462-R477 PolarHBondContact OD2-NE 2.99Å; D462-R477 IonicContact OD2-NH2 3.27Å; D462-H480 HydrophobicContact CB-CB 4.29Å; D462-H480 IonicContact OD2-CD2 3.57Å
463	C	85.8	Confident	84.3	Confident	55 Å²	55	71.6 Å²	71.6	37%	0.372	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.9	16.5	179.7	71.6	0	0	0	0	116.3	C460 S461 K465 H476 H480	C460-C463 PolarHBondContact O-N 3.4Å; S461-C463 VanDerWaalsContact C-N 3.32Å; S461-C463 PolarHBondContact O-N 3.31Å; C463-K465 PolarHBondContact O-N 3.21Å; C463-H476 PolarHBondContact SG-NE2 2.63Å; C463-H480 VanDerWaalsContact SG-CE1 3.52Å; C463-H480 PolarHBondContact SG-NE2 3.37Å
464	G	82.6	Confident	84.4	Confident	51 Å²	51	72.2 Å²	72.2	53%	0.526	40%	0.395	S	S	.	.			trans	71.5	-18.9	179.4	0	0	0	0	0	116.9	C460 S466	C460-G464 WeakPolarHBondContact O-CA 3.37Å; C460-G464 PolarHBondContact O-N 3.29Å; G464-S466 PolarHBondContact O-N 3.39Å; G464-S466 PolarHBondContact O-OG 3.27Å
465	K	85.3	Confident	84.6	Confident	129 Å²	129	73.9 Å²	73.9	56%	0.561	39%	0.394	S	S	*	.			trans	-56.4	130.7	-177.2	-69.7	179.3	-177.9	175.1	0	111.5	C460 C463 F467	C460-K465 WeakPolarHBondContact CB-O 3.38Å; C460-K465 PolarHBondContact N-O 3.21Å; C463-K465 PolarHBondContact O-N 3.21Å; K465-F467 HydrophobicContact CB-CE2 3.86Å; K465-F467 HydrophobicContact CB-CZ 4.07Å; K465-F467 WeakPolarHBondContact O-CE2 3.35Å
466	S	87.3	Confident	84.8	Confident	43 Å²	43	70.9 Å²	70.9	30%	0.301	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.4	-168.7	-59.9	0	0	0	0	111.8	K456 K459 G464	K456-S466 WeakPolarHBondContact CD-O 3.48Å; K459-S466 WeakPolarHBondContact CG-OG 3.38Å; G464-S466 PolarHBondContact O-N 3.39Å; G464-S466 PolarHBondContact O-OG 3.27Å
467	F	85.5	Confident	84.8	Confident	46 Å²	46	70.3 Å²	70.3	20%	0.202	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.4	-169.5	-59.9	-93.1	0	0	0	113.1	K456 Y458 C460 K465 R469 H472 L473 H476	K456-F467 CarbonylContact C-O 3.16Å; K456-F467 VanDerWaalsContact C-O 3.28Å; K456-F467 WeakPolarHBondContact CA-O 3.4Å; Y458-F467 WeakPolarHBondContact CB-O 3.44Å; Y458-F467 WeakPolarHBondContact CD2-O 3.21Å; Y458-F467 PolarHBondContact N-O 3.42Å; Y458-F467 VanDerWaalsContact N-O 3.14Å; Y458-F467 PolarHBondContact O-N 3.18Å; C460-F467 HydrophobicContact CB-CE2 4.43Å; K465-F467 HydrophobicContact CB-CE2 3.86Å; K465-F467 HydrophobicContact CB-CZ 4.07Å; K465-F467 WeakPolarHBondContact O-CE2 3.35Å; F467-R469 VanDerWaalsContact C-N 3.3Å; F467-R469 PolarHBondContact O-N 3.43Å; F467-H472 HydrophobicContact CB-CB 4.31Å; F467-H472 HydrophobicContact CD1-CB 3.89Å; F467-H472 HydrophobicContact CG-CB 4.36Å; F467-L473 HydrophobicContact CB-CB 4.42Å; F467-L473 HydrophobicContact CD2-CB 4.1Å; F467-L473 HydrophobicContact CD2-CD1 4.02Å; F467-L473 HydrophobicContact CE2-CD1 4.25Å; F467-L473 HydrophobicContact CG-CB 4.42Å; F467-H476 HydrophobicContact CE1-CB 4.2Å; F467-H476 HydrophobicContact CE2-CB 4.03Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.34Å; F467-H476 AromaticContact CE2-CG 3.88Å; F467-H476 HydrophobicContact CZ-CB 3.63Å; F467-H476 AromaticContact CZ-CD2 3.33Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.47Å; F467-H476 AromaticContact CZ-CG 3.48Å; F467-H476 VanDerWaalsContact CZ-CG 3.48Å
468	I	83.4	Confident	84.8	Confident	42 Å²	42	69.9 Å²	69.9	22%	0.215	36%	0.364	C	S	.	.	S	Bend	trans	-73.4	-22.6	177.3	-54.5	179.2	0	0	0	111.8	R450 I451 K456 Y458	R450-I468 HydrophobicContact CB-CG2 3.69Å; I451-I468 HydrophobicContact CG1-CD1 4.24Å; K456-I468 HydrophobicContact CG-CG1 3.84Å; Y458-I468 WeakPolarHBondContact CE2-O 3.19Å
469	R	83.1	Confident	84.7	Confident	99 Å²	99	70.3 Å²	70.3	37%	0.374	38%	0.376	S	S	.	.	S	Bend	trans	-132.9	138.4	-176.4	-55.2	-177.8	-167.5	154.4	-4.5	111.7	F467 S471 H472 L473	F467-R469 VanDerWaalsContact C-N 3.3Å; F467-R469 PolarHBondContact O-N 3.43Å; R469-S471 VanDerWaalsContact C-N 3.3Å; R469-S471 PolarHBondContact O-N 3.01Å; R469-H472 HydrophobicContact CB-CB 4.49Å; R469-H472 PolarHBondContact NH1-CE1 2.98Å; R469-H472 PolarHBondContact NH1-NE2 2.81Å; R469-H472 PolarHBondContact O-N 3.29Å; R469-L473 PolarHBondContact O-N 2.93Å
470	S	83.6	Confident	84.6	Confident	57 Å²	57	66.7 Å²	66.7	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-35.2	175.1	52.2	0	0	0	0	113.2	Y458 H472 L473 I474	Y458-S470 VanDerWaalsContact CD2-N 3.29Å; S470-H472 VanDerWaalsContact C-N 3.32Å; S470-H472 PolarHBondContact O-N 3.22Å; S470-L473 WeakPolarHBondContact O-CB 3.23Å; S470-L473 PolarHBondContact O-N 2.6Å; S470-I474 WeakPolarHBondContact O-CG1 3.28Å; S470-I474 PolarHBondContact O-N 2.94Å
471	S	83.1	Confident	84.2	Confident	65 Å²	65	69.7 Å²	69.7	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-38.6	175.6	54.3	0	0	0	0	112.7	R469 I474 Q475	R469-S471 VanDerWaalsContact C-N 3.3Å; R469-S471 PolarHBondContact O-N 3.01Å; S471-I474 PolarHBondContact O-N 2.87Å; S471-Q475 VanDerWaalsContact O-CB 3.27Å; S471-Q475 WeakPolarHBondContact O-CB 3.33Å; S471-Q475 PolarHBondContact O-N 2.92Å
472	H	85.1	Confident	83.9	Confident	69 Å²	69	66.5 Å²	66.5	32%	0.319	37%	0.365	S	S	.	.	H	α-helix	trans	-71	-35.7	176.6	-63.4	-163.4	0	0	0	110.8	F467 R469 S470 H476	F467-H472 HydrophobicContact CB-CB 4.31Å; F467-H472 HydrophobicContact CD1-CB 3.89Å; F467-H472 HydrophobicContact CG-CB 4.36Å; R469-H472 HydrophobicContact CB-CB 4.49Å; R469-H472 PolarHBondContact NH1-CE1 2.98Å; R469-H472 PolarHBondContact NH1-NE2 2.81Å; R469-H472 PolarHBondContact O-N 3.29Å; S470-H472 VanDerWaalsContact C-N 3.32Å; S470-H472 PolarHBondContact O-N 3.22Å; H472-H476 VanDerWaalsContact O-CB 3.29Å; H472-H476 WeakPolarHBondContact O-CB 3.39Å; H472-H476 PolarHBondContact O-N 2.83Å
473	L	87	Confident	83.8	Confident	25 Å²	25	67.2 Å²	67.2	13%	0.131	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-45	171	173.1	61.7	0	0	0	111.6	K459 C460 F467 R469 S470 H476 R477	K459-L473 WeakPolarHBondContact O-CD2 3.32Å; C460-L473 HydrophobicContact CB-CD1 3.51Å; F467-L473 HydrophobicContact CB-CB 4.42Å; F467-L473 HydrophobicContact CD2-CB 4.1Å; F467-L473 HydrophobicContact CD2-CD1 4.02Å; F467-L473 HydrophobicContact CE2-CD1 4.25Å; F467-L473 HydrophobicContact CG-CB 4.42Å; R469-L473 PolarHBondContact O-N 2.93Å; S470-L473 WeakPolarHBondContact O-CB 3.23Å; S470-L473 PolarHBondContact O-N 2.6Å; L473-H476 CarbonylContact O-C 3.49Å; L473-H476 PolarHBondContact O-N 3.06Å; L473-R477 HydrophobicContact CD1-CG 4.07Å; L473-R477 WeakPolarHBondContact O-CG 3.43Å; L473-R477 PolarHBondContact O-N 2.96Å
474	I	83.8	Confident	83.6	Confident	100 Å²	100	70.5 Å²	70.5	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-45.7	178.1	-67.4	162.4	0	0	0	110.7	S470 S471 H476 R477 R478	S470-I474 WeakPolarHBondContact O-CG1 3.28Å; S470-I474 PolarHBondContact O-N 2.94Å; S471-I474 PolarHBondContact O-N 2.87Å; I474-H476 VanDerWaalsContact C-N 3.26Å; I474-H476 PolarHBondContact O-N 3.15Å; I474-R477 PolarHBondContact O-N 3.45Å; I474-R478 PolarHBondContact O-N 3.26Å
475	Q	84.3	Confident	83.7	Confident	73 Å²	73	71.3 Å²	71.3	34%	0.341	37%	0.369	S	S	.	.	H	α-helix	trans	-57.2	-39.2	173.4	-179.6	-174.1	7.5	0	0	111.9	S471 Q497	S471-Q475 VanDerWaalsContact O-CB 3.27Å; S471-Q475 WeakPolarHBondContact O-CB 3.33Å; S471-Q475 PolarHBondContact O-N 2.92Å; Q475-Q497 HydrophobicContact CG-CG 4.39Å; Q475-Q497 VanDerWaalsContact NE2-CD 3.32Å
476	H	86	Confident	83.5	Confident	25 Å²	25	68.9 Å²	68.9	12%	0.116	36%	0.357	C	S	.	.	H	α-helix	trans	-72.1	-40.7	175.3	177.7	42.8	0	0	0	113	C463 F467 H472 L473 I474 R478 T479 H480	C463-H476 PolarHBondContact SG-NE2 2.63Å; F467-H476 HydrophobicContact CE1-CB 4.2Å; F467-H476 HydrophobicContact CE2-CB 4.03Å; F467-H476 AromaticContact CE2-CD2 3.33Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.34Å; F467-H476 AromaticContact CE2-CG 3.88Å; F467-H476 HydrophobicContact CZ-CB 3.63Å; F467-H476 AromaticContact CZ-CD2 3.33Å; F467-H476 WeakPolarHBondContact CZ-CD2 3.47Å; F467-H476 AromaticContact CZ-CG 3.48Å; F467-H476 VanDerWaalsContact CZ-CG 3.48Å; H472-H476 VanDerWaalsContact O-CB 3.29Å; H472-H476 WeakPolarHBondContact O-CB 3.39Å; H472-H476 PolarHBondContact O-N 2.83Å; L473-H476 CarbonylContact O-C 3.49Å; L473-H476 PolarHBondContact O-N 3.06Å; I474-H476 VanDerWaalsContact C-N 3.26Å; I474-H476 PolarHBondContact O-N 3.15Å; H476-R478 PolarHBondContact O-N 2.94Å; H476-R478 VanDerWaalsContact O-N 3.16Å; H476-T479 PolarHBondContact ND1-OG1 2.79Å; H476-T479 WeakPolarHBondContact O-CB 3.44Å; H476-T479 PolarHBondContact O-N 3.12Å; H476-T479 PolarHBondContact O-OG1 2.93Å; H476-H480 AromaticContact CD2-NE2 3.76Å; H476-H480 AromaticContact CE1-CE1 3.48Å; H476-H480 PolarHBondContact CE1-CE1 3.14Å; H476-H480 VanDerWaalsContact CE1-CE1 3.48Å; H476-H480 AromaticContact CE1-NE2 3.16Å; H476-H480 PolarHBondContact CE1-NE2 3.33Å; H476-H480 AromaticContact ND1-NE2 3.97Å; H476-H480 AromaticContact NE2-CE1 3.69Å; H476-H480 AromaticContact NE2-NE2 3.01Å; H476-H480 PolarHBondContact NE2-NE2 3.03Å
477	R	83.9	Confident	83.2	Confident	100 Å²	100	73.8 Å²	73.8	38%	0.377	37%	0.373	S	S	.	.	H	α-helix	trans	-59.5	-29.5	177.9	-73.8	-167.1	68.5	-110.3	-4.2	112.8	D462 L473 I474 T479 H480 T481	D462-R477 IonicContact OD2-CZ 3.03Å; D462-R477 IonicContact OD2-NE 2.83Å; D462-R477 PolarHBondContact OD2-NE 2.99Å; D462-R477 IonicContact OD2-NH2 3.27Å; L473-R477 HydrophobicContact CD1-CG 4.07Å; L473-R477 WeakPolarHBondContact O-CG 3.43Å; L473-R477 PolarHBondContact O-N 2.96Å; I474-R477 PolarHBondContact O-N 3.45Å; R477-T479 PolarHBondContact O-N 2.85Å; R477-H480 PolarHBondContact O-N 2.92Å; R477-T481 PolarHBondContact O-N 3.13Å; R477-T481 PolarHBondContact O-OG1 2.99Å
478	R	85.1	Confident	83.1	Confident	53 Å²	53	71.7 Å²	71.7	20%	0.2	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-19.6	170.5	-64.2	-179.3	-179.8	170.9	0.5	114.3	I474 H476 H480 G482 E483 S496	I474-R478 PolarHBondContact O-N 3.26Å; H476-R478 PolarHBondContact O-N 2.94Å; H476-R478 VanDerWaalsContact O-N 3.16Å; R478-H480 VanDerWaalsContact C-N 3.34Å; R478-G482 CarbonylContact O-C 3.45Å; R478-G482 WeakPolarHBondContact O-CA 3.39Å; R478-G482 PolarHBondContact O-N 2.9Å; R478-G482 VanDerWaalsContact O-N 3.15Å; R478-E483 HydrophobicContact CB-CB 4.23Å; R478-E483 HydrophobicContact CG-CB 3.95Å; R478-E483 PolarHBondContact O-N 3.3Å; R478-S496 WeakPolarHBondContact CD-O 3.46Å; R478-S496 PolarHBondContact NH1-O 2.96Å
479	T	82.8	Confident	82.8	Confident	93 Å²	93	75 Å²	75	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-77	-22.4	171.5	71.7	0	0	0	0	112.6	H476 R477	H476-T479 PolarHBondContact ND1-OG1 2.79Å; H476-T479 WeakPolarHBondContact O-CB 3.44Å; H476-T479 PolarHBondContact O-N 3.12Å; H476-T479 PolarHBondContact O-OG1 2.93Å; R477-T479 PolarHBondContact O-N 2.85Å
480	H	82.3	Confident	82.4	Confident	77 Å²	77	76 Å²	76	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-90.4	-42.7	176.1	-54.9	-49	0	0	0	111.8	D462 C463 H476 R477 R478 G482	D462-H480 HydrophobicContact CB-CB 4.29Å; D462-H480 IonicContact OD2-CD2 3.57Å; C463-H480 VanDerWaalsContact SG-CE1 3.52Å; C463-H480 PolarHBondContact SG-NE2 3.37Å; H476-H480 AromaticContact CD2-NE2 3.76Å; H476-H480 AromaticContact CE1-CE1 3.48Å; H476-H480 PolarHBondContact CE1-CE1 3.14Å; H476-H480 VanDerWaalsContact CE1-CE1 3.48Å; H476-H480 AromaticContact CE1-NE2 3.16Å; H476-H480 PolarHBondContact CE1-NE2 3.33Å; H476-H480 AromaticContact ND1-NE2 3.97Å; H476-H480 AromaticContact NE2-CE1 3.69Å; H476-H480 AromaticContact NE2-NE2 3.01Å; H476-H480 PolarHBondContact NE2-NE2 3.03Å; R477-H480 PolarHBondContact O-N 2.92Å; R478-H480 VanDerWaalsContact C-N 3.34Å; H480-G482 VanDerWaalsContact C-N 3.29Å; H480-G482 PolarHBondContact O-N 2.94Å
481	T	79.9	Confident	82.1	Confident	65 Å²	65	76 Å²	76	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-80.5	-8.6	178.4	62	0	0	0	0	113.8	R477 E483	R477-T481 PolarHBondContact O-N 3.13Å; R477-T481 PolarHBondContact O-OG1 2.99Å; T481-E483 VanDerWaalsContact CB-OE1 3.29Å; T481-E483 WeakPolarHBondContact CB-OE1 3.25Å; T481-E483 PolarHBondContact O-N 3.06Å; T481-E483 VanDerWaalsContact O-N 3.16Å; T481-E483 WeakPolarHBondContact OG1-CB 3.46Å; T481-E483 VanDerWaalsContact OG1-CG 3.29Å; T481-E483 WeakPolarHBondContact OG1-CG 3.47Å; T481-E483 PolarHBondContact OG1-OE1 3.46Å
482	G	79.8	Confident	81.8	Confident	49 Å²	49	75 Å²	75	51%	0.505	40%	0.397	S	S	.	.			trans	67.7	5.9	-175.3	0	0	0	0	0	114.5	R478 H480 K484	R478-G482 CarbonylContact O-C 3.45Å; R478-G482 WeakPolarHBondContact O-CA 3.39Å; R478-G482 PolarHBondContact O-N 2.9Å; R478-G482 VanDerWaalsContact O-N 3.15Å; H480-G482 VanDerWaalsContact C-N 3.29Å; H480-G482 PolarHBondContact O-N 2.94Å; G482-K484 PolarHBondContact O-N 3.05Å
483	E	79.6	Confident	81.5	Confident	95 Å²	95	77.6 Å²	77.6	44%	0.444	41%	0.408	S	S	.	.			trans	-57.7	120.8	-176	-84.6	167.7	-120.6	0	0	112.4	R478 T481 P485 S496	R478-E483 HydrophobicContact CB-CB 4.23Å; R478-E483 HydrophobicContact CG-CB 3.95Å; R478-E483 PolarHBondContact O-N 3.3Å; T481-E483 VanDerWaalsContact CB-OE1 3.29Å; T481-E483 WeakPolarHBondContact CB-OE1 3.25Å; T481-E483 PolarHBondContact O-N 3.06Å; T481-E483 VanDerWaalsContact O-N 3.16Å; T481-E483 WeakPolarHBondContact OG1-CB 3.46Å; T481-E483 VanDerWaalsContact OG1-CG 3.29Å; T481-E483 WeakPolarHBondContact OG1-CG 3.47Å; T481-E483 PolarHBondContact OG1-OE1 3.46Å; E483-P485 WeakPolarHBondContact O-CD 3.15Å; E483-S496 WeakPolarHBondContact O-CB 3.2Å
484	K	83.2	Confident	81.2	Confident	124 Å²	124	78 Å²	78	54%	0.539	41%	0.413	S	S	.	.			trans	-124.1	76.1	179	-76	164.6	162.2	-168.8	0	110.3	G482 Y486 S494 F495	G482-K484 PolarHBondContact O-N 3.05Å; K484-Y486 VanDerWaalsContact C-N 3.3Å; K484-Y486 PolarHBondContact O-N 2.71Å; K484-S494 VanDerWaalsContact CD-O 3.24Å; K484-S494 WeakPolarHBondContact CD-O 3.24Å; K484-F495 CarbonylContact C-O 3.59Å; K484-F495 VanDerWaalsContact CA-O 3.25Å; K484-F495 WeakPolarHBondContact CA-O 3.48Å
485	P	83	Confident	81.1	Confident	68 Å²	68	75.4 Å²	75.4	44%	0.442	40%	0.398	S	S	.	.			trans	-69.2	-26.6	-172.2	-19.7	34	0	0	0	113.8	E483 K487 F495	E483-P485 WeakPolarHBondContact O-CD 3.15Å; P485-K487 PolarHBondContact O-N 2.96Å; P485-F495 WeakPolarHBondContact CD-O 3.21Å
486	Y	81.9	Confident	81	Confident	78 Å²	78	73.4 Å²	73.4	31%	0.306	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	101.2	-172.3	-53.6	-70.7	0	0	0	109.6	K484 S494 F495 S498	K484-Y486 VanDerWaalsContact C-N 3.3Å; K484-Y486 PolarHBondContact O-N 2.71Å; Y486-S494 CarbonylContact O-C 3.41Å; Y486-S494 WeakPolarHBondContact O-CA 3.29Å; Y486-F495 PolarHBondContact N-O 3.31Å; Y486-F495 VanDerWaalsContact N-O 3.1Å; Y486-F495 PolarHBondContact O-N 2.92Å; Y486-S498 VanDerWaalsContact CD2-N 3.33Å; Y486-S498 VanDerWaalsContact CE2-N 3.28Å
487	K	81.1	Confident	80.8	Confident	146 Å²	146	75.1 Å²	75.1	64%	0.635	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.2	-179.8	-54.6	-160.6	175.3	-177.2	0	111.1	P485 S494	P485-K487 PolarHBondContact O-N 2.96Å; K487-S494 WeakPolarHBondContact CG-OG 3.46Å
488	C	82.9	Confident	80.6	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.02	40%	0.401	C	S	.	.			trans	-71.6	125.7	168.7	-167.6	0	0	0	0	109.7	G492 K493 L501 H508	C488-G492 VanDerWaalsContact O-CA 3.24Å; C488-G492 WeakPolarHBondContact O-CA 3.37Å; C488-G492 PolarHBondContact O-N 3.27Å; C488-K493 WeakPolarHBondContact CB-O 3.12Å; C488-K493 PolarHBondContact N-O 3.32Å; C488-L501 HydrophobicContact CB-CD1 3.82Å; C488-H508 PolarHBondContact SG-NE2 3.45Å
489	P	76.4	Confident	80.4	Confident	111 Å²	111	73.4 Å²	73.4	72%	0.721	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-39.1	177.8	25.8	-32.5	0	0	0	111.8
490	E	74.7	Confident	80.3	Confident	121 Å²	121	72.1 Å²	72.1	57%	0.565	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-34.8	-170.9	-71	154.5	-153.5	0	0	114.7	H508	E490-H508 WeakPolarHBondContact OE2-CB 3.45Å; E490-H508 IonicContact OE2-CD2 4Å; E490-H508 PolarHBondContact OE2-CD2 2.76Å; E490-H508 VanDerWaalsContact OE2-CD2 3.3Å; E490-H508 IonicContact OE2-CG 3.3Å
491	C	77.4	Confident	80.2	Confident	55 Å²	55	69.9 Å²	69.9	37%	0.372	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	10.3	-179.5	81	0	0	0	0	115.2	K493 H504 H508	C491-K493 PolarHBondContact O-N 3.1Å; C491-K493 VanDerWaalsContact SG-CD 3.58Å; C491-K493 VanDerWaalsContact SG-CG 3.54Å; C491-H504 PolarHBondContact SG-NE2 3.33Å; C491-H508 PolarHBondContact SG-CE1 3.09Å; C491-H508 PolarHBondContact SG-NE2 3.03Å; C491-H508 VanDerWaalsContact SG-NE2 3.37Å
492	G	77	Confident	80.1	Confident	46 Å²	46	71.2 Å²	71.2	47%	0.474	40%	0.395	S	S	.	.			trans	68.7	-11.2	176.2	0	0	0	0	0	116.9	C488 S494	C488-G492 VanDerWaalsContact O-CA 3.24Å; C488-G492 WeakPolarHBondContact O-CA 3.37Å; C488-G492 PolarHBondContact O-N 3.27Å; G492-S494 PolarHBondContact O-N 3.07Å; G492-S494 PolarHBondContact O-OG 2.84Å; G492-S494 VanDerWaalsContact O-OG 3.06Å
493	K	78.4	Confident	79.9	Confident	123 Å²	123	71.1 Å²	71.1	54%	0.535	39%	0.385	S	S	.	.			trans	-53.5	132.3	178.4	-72	176	-169.7	166.9	0	110.4	C488 C491 F495	C488-K493 WeakPolarHBondContact CB-O 3.12Å; C488-K493 PolarHBondContact N-O 3.32Å; C491-K493 PolarHBondContact O-N 3.1Å; C491-K493 VanDerWaalsContact SG-CD 3.58Å; C491-K493 VanDerWaalsContact SG-CG 3.54Å; K493-F495 HydrophobicContact CB-CE2 3.73Å; K493-F495 HydrophobicContact CB-CZ 3.93Å; K493-F495 VanDerWaalsContact O-CE2 3.31Å; K493-F495 WeakPolarHBondContact O-CE2 3.44Å
494	S	82.5	Confident	79.7	Confident	34 Å²	34	67.3 Å²	67.3	24%	0.238	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.4	-169.7	-56.8	0	0	0	0	111.5	K484 Y486 K487 G492	K484-S494 VanDerWaalsContact CD-O 3.24Å; K484-S494 WeakPolarHBondContact CD-O 3.24Å; Y486-S494 CarbonylContact O-C 3.41Å; Y486-S494 WeakPolarHBondContact O-CA 3.29Å; K487-S494 WeakPolarHBondContact CG-OG 3.46Å; G492-S494 PolarHBondContact O-N 3.07Å; G492-S494 PolarHBondContact O-OG 2.84Å; G492-S494 VanDerWaalsContact O-OG 3.06Å
495	F	81.9	Confident	79.2	Confident	45 Å²	45	63.1 Å²	63.1	20%	0.197	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.6	-170.3	-58.4	-93	0	0	0	111.9	K484 P485 Y486 K493 Q497 N500 L501 H504	K484-F495 CarbonylContact C-O 3.59Å; K484-F495 VanDerWaalsContact CA-O 3.25Å; K484-F495 WeakPolarHBondContact CA-O 3.48Å; P485-F495 WeakPolarHBondContact CD-O 3.21Å; Y486-F495 PolarHBondContact N-O 3.31Å; Y486-F495 VanDerWaalsContact N-O 3.1Å; Y486-F495 PolarHBondContact O-N 2.92Å; K493-F495 HydrophobicContact CB-CE2 3.73Å; K493-F495 HydrophobicContact CB-CZ 3.93Å; K493-F495 VanDerWaalsContact O-CE2 3.31Å; K493-F495 WeakPolarHBondContact O-CE2 3.44Å; F495-Q497 VanDerWaalsContact C-N 3.34Å; F495-N500 HydrophobicContact CB-CB 4.38Å; F495-N500 HydrophobicContact CD1-CB 3.9Å; F495-N500 HydrophobicContact CG-CB 4.42Å; F495-L501 HydrophobicContact CB-CB 4.46Å; F495-L501 HydrophobicContact CD2-CB 4.2Å; F495-L501 HydrophobicContact CD2-CD1 4.03Å; F495-L501 HydrophobicContact CE2-CD1 4.28Å; F495-L501 HydrophobicContact CG-CB 4.48Å; F495-H504 HydrophobicContact CE1-CB 4.07Å; F495-H504 HydrophobicContact CE2-CB 3.98Å; F495-H504 AromaticContact CE2-CD2 3.24Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.35Å; F495-H504 AromaticContact CE2-CG 3.76Å; F495-H504 HydrophobicContact CZ-CB 3.56Å; F495-H504 AromaticContact CZ-CD2 3.29Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.3Å; F495-H504 AromaticContact CZ-CG 3.36Å
496	S	81.3	Confident	78.7	Confident	31 Å²	31	64.7 Å²	64.7	22%	0.217	35%	0.349	C	S	.	.	S	Bend	trans	-81.6	-13.3	178.1	53.9	0	0	0	0	113.6	R478 E483	R478-S496 WeakPolarHBondContact CD-O 3.46Å; R478-S496 PolarHBondContact NH1-O 2.96Å; E483-S496 WeakPolarHBondContact O-CB 3.2Å
497	Q	81.3	Confident	78.1	Confident	61 Å²	61	63.3 Å²	63.3	29%	0.285	35%	0.348	S	S	.	.	S	Bend	trans	-134.1	142.8	-177	-52.4	-174.3	51.1	0	0	110.6	Q475 F495 N500 L501	Q475-Q497 HydrophobicContact CG-CG 4.39Å; Q475-Q497 VanDerWaalsContact NE2-CD 3.32Å; F495-Q497 VanDerWaalsContact C-N 3.34Å; Q497-N500 HydrophobicContact CB-CB 4.46Å; Q497-N500 PolarHBondContact O-N 2.91Å; Q497-L501 PolarHBondContact O-N 2.96Å
498	S	80.3	Confident	77.5	Confident	57 Å²	57	59.3 Å²	59.3	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-73.1	-32.6	-179.2	46.8	0	0	0	0	112.6	Y486 N500 L501 I502	Y486-S498 VanDerWaalsContact CD2-N 3.33Å; Y486-S498 VanDerWaalsContact CE2-N 3.28Å; S498-N500 VanDerWaalsContact C-N 3.27Å; S498-N500 PolarHBondContact O-N 3.17Å; S498-L501 PolarHBondContact O-N 3.42Å; S498-I502 WeakPolarHBondContact O-CG1 3.35Å; S498-I502 PolarHBondContact O-N 3.33Å
499	S	79.7	Confident	76.7	Confident	59 Å²	59	64.6 Å²	64.6	41%	0.413	36%	0.358	S	S	.	.	H	α-helix	trans	-51.3	-46.9	170.1	43.9	0	0	0	0	112.1	L501 I502 T503	S499-L501 VanDerWaalsContact C-N 3.35Å; S499-I502 PolarHBondContact O-N 3.07Å; S499-I502 VanDerWaalsContact O-N 3.15Å; S499-T503 PolarHBondContact O-N 3.39Å; S499-T503 PolarHBondContact O-OG1 3.49Å
500	N	81.4	Confident	75.6	Confident	67 Å²	67	65.8 Å²	65.8	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-75.5	-25.6	-177.1	-59.4	52.2	0	0	0	112	F495 Q497 S498 T503 H504	F495-N500 HydrophobicContact CB-CB 4.38Å; F495-N500 HydrophobicContact CD1-CB 3.9Å; F495-N500 HydrophobicContact CG-CB 4.42Å; Q497-N500 HydrophobicContact CB-CB 4.46Å; Q497-N500 PolarHBondContact O-N 2.91Å; S498-N500 VanDerWaalsContact C-N 3.27Å; S498-N500 PolarHBondContact O-N 3.17Å; N500-T503 PolarHBondContact O-OG1 3.1Å; N500-H504 WeakPolarHBondContact O-CB 3.31Å; N500-H504 PolarHBondContact O-N 3.46Å; N500-H504 VanDerWaalsContact O-N 3.16Å
501	L	79.6	Confident	74.9	Confident	30 Å²	30	63.1 Å²	63.1	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-41.8	166	175	61.5	0	0	0	110.7	C488 F495 Q497 S498 S499 H504 V505	C488-L501 HydrophobicContact CB-CD1 3.82Å; F495-L501 HydrophobicContact CB-CB 4.46Å; F495-L501 HydrophobicContact CD2-CB 4.2Å; F495-L501 HydrophobicContact CD2-CD1 4.03Å; F495-L501 HydrophobicContact CE2-CD1 4.28Å; F495-L501 HydrophobicContact CG-CB 4.48Å; Q497-L501 PolarHBondContact O-N 2.96Å; S498-L501 PolarHBondContact O-N 3.42Å; S499-L501 VanDerWaalsContact C-N 3.35Å; L501-H504 CarbonylContact O-C 3.38Å; L501-H504 PolarHBondContact O-N 3.24Å; L501-V505 HydrophobicContact CD1-CG2 3.82Å; L501-V505 HydrophobicContact CG-CG2 4.24Å; L501-V505 WeakPolarHBondContact O-CG2 3.25Å; L501-V505 PolarHBondContact O-N 2.9Å
502	I	79.1	Confident	74	Confident	93 Å²	93	63.2 Å²	63.2	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-44.6	-179.5	-68	161.6	0	0	0	111.5	S498 S499 H504 V505 R506	S498-I502 WeakPolarHBondContact O-CG1 3.35Å; S498-I502 PolarHBondContact O-N 3.33Å; S499-I502 PolarHBondContact O-N 3.07Å; S499-I502 VanDerWaalsContact O-N 3.15Å; I502-H504 VanDerWaalsContact C-N 3.26Å; I502-H504 PolarHBondContact O-N 3.01Å; I502-V505 PolarHBondContact O-N 3.29Å; I502-R506 WeakPolarHBondContact O-CG 3.46Å; I502-R506 PolarHBondContact O-N 2.7Å
503	T	74.8	Confident	73.3	Confident	46 Å²	46	63.8 Å²	63.8	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-33.4	173.7	55.8	0	0	0	0	111.7	S499 N500	S499-T503 PolarHBondContact O-N 3.39Å; S499-T503 PolarHBondContact O-OG1 3.49Å; N500-T503 PolarHBondContact O-OG1 3.1Å
504	H	75.9	Confident	72.6	Confident	16 Å²	16	60.8 Å²	60.8	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-71.3	-40.4	174.5	177.3	43.6	0	0	0	114.3	C491 F495 N500 L501 I502 R506 T507 H508	C491-H504 PolarHBondContact SG-NE2 3.33Å; F495-H504 HydrophobicContact CE1-CB 4.07Å; F495-H504 HydrophobicContact CE2-CB 3.98Å; F495-H504 AromaticContact CE2-CD2 3.24Å; F495-H504 WeakPolarHBondContact CE2-CD2 3.35Å; F495-H504 AromaticContact CE2-CG 3.76Å; F495-H504 HydrophobicContact CZ-CB 3.56Å; F495-H504 AromaticContact CZ-CD2 3.29Å; F495-H504 WeakPolarHBondContact CZ-CD2 3.3Å; F495-H504 AromaticContact CZ-CG 3.36Å; N500-H504 WeakPolarHBondContact O-CB 3.31Å; N500-H504 PolarHBondContact O-N 3.46Å; N500-H504 VanDerWaalsContact O-N 3.16Å; L501-H504 CarbonylContact O-C 3.38Å; L501-H504 PolarHBondContact O-N 3.24Å; I502-H504 VanDerWaalsContact C-N 3.26Å; I502-H504 PolarHBondContact O-N 3.01Å; H504-R506 PolarHBondContact O-N 3.16Å; H504-T507 PolarHBondContact CE1-OG1 3.22Å; H504-T507 PolarHBondContact ND1-OG1 2.83Å; H504-T507 VanDerWaalsContact ND1-OG1 3.12Å; H504-T507 WeakPolarHBondContact O-CB 3.3Å; H504-T507 WeakPolarHBondContact O-CG2 3.22Å; H504-T507 PolarHBondContact O-N 2.84Å; H504-T507 PolarHBondContact O-OG1 3.48Å; H504-H508 AromaticContact CD2-NE2 3.85Å; H504-H508 AromaticContact CE1-CE1 3.3Å; H504-H508 PolarHBondContact CE1-CE1 3.43Å; H504-H508 AromaticContact CE1-NE2 3.1Å; H504-H508 PolarHBondContact CE1-NE2 2.97Å; H504-H508 AromaticContact NE2-CE1 3.56Å; H504-H508 AromaticContact NE2-NE2 3Å; H504-H508 PolarHBondContact NE2-NE2 3.5Å
505	V	72.6	Confident	71.5	Confident	36 Å²	36	63.2 Å²	63.2	22%	0.218	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-35	179.2	166	0	0	0	0	110.8	L501 I502 T507 H508 M509	L501-V505 HydrophobicContact CD1-CG2 3.82Å; L501-V505 HydrophobicContact CG-CG2 4.24Å; L501-V505 WeakPolarHBondContact O-CG2 3.25Å; L501-V505 PolarHBondContact O-N 2.9Å; I502-V505 PolarHBondContact O-N 3.29Å; V505-T507 PolarHBondContact O-N 3.12Å; V505-T507 VanDerWaalsContact O-N 3.14Å; V505-H508 PolarHBondContact O-N 3.13Å; V505-H508 VanDerWaalsContact O-N 3.07Å; V505-M509 HydrophobicContact CG1-SD 4.27Å
506	R	73.6	Confident	71	Confident	100 Å²	100	61.1 Å²	61.1	38%	0.377	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-57.2	-26.9	171.5	-64	170.3	-172.5	174.4	-2.4	113.5	I502 H504 H508 M509	I502-R506 WeakPolarHBondContact O-CG 3.46Å; I502-R506 PolarHBondContact O-N 2.7Å; H504-R506 PolarHBondContact O-N 3.16Å; R506-H508 PolarHBondContact O-N 3.02Å; R506-M509 PolarHBondContact O-N 3.13Å
507	T	68.3	Low	70.4	Confident	49 Å²	49	64.5 Å²	64.5	30%	0.301	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-73.1	-10.1	178.7	79.7	0	0	0	0	114	H504 V505 L524	H504-T507 PolarHBondContact CE1-OG1 3.22Å; H504-T507 PolarHBondContact ND1-OG1 2.83Å; H504-T507 VanDerWaalsContact ND1-OG1 3.12Å; H504-T507 WeakPolarHBondContact O-CB 3.3Å; H504-T507 WeakPolarHBondContact O-CG2 3.22Å; H504-T507 PolarHBondContact O-N 2.84Å; H504-T507 PolarHBondContact O-OG1 3.48Å; V505-T507 PolarHBondContact O-N 3.12Å; V505-T507 VanDerWaalsContact O-N 3.14Å; T507-L524 HydrophobicContact CG2-CD1 3.51Å; T507-L524 HydrophobicContact CG2-CD2 3.87Å; T507-L524 HydrophobicContact CG2-CG 4.29Å
508	H	68.5	Low	69.8	Low	63 Å²	63	65 Å²	65	29%	0.292	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-99.9	-12.1	173.6	-54	-54.2	0	0	0	112.7	C488 E490 C491 H504 V505 R506	C488-H508 PolarHBondContact SG-NE2 3.45Å; E490-H508 WeakPolarHBondContact OE2-CB 3.45Å; E490-H508 IonicContact OE2-CD2 4Å; E490-H508 PolarHBondContact OE2-CD2 2.76Å; E490-H508 VanDerWaalsContact OE2-CD2 3.3Å; E490-H508 IonicContact OE2-CG 3.3Å; C491-H508 PolarHBondContact SG-CE1 3.09Å; C491-H508 PolarHBondContact SG-NE2 3.03Å; C491-H508 VanDerWaalsContact SG-NE2 3.37Å; H504-H508 AromaticContact CD2-NE2 3.85Å; H504-H508 AromaticContact CE1-CE1 3.3Å; H504-H508 PolarHBondContact CE1-CE1 3.43Å; H504-H508 AromaticContact CE1-NE2 3.1Å; H504-H508 PolarHBondContact CE1-NE2 2.97Å; H504-H508 AromaticContact NE2-CE1 3.56Å; H504-H508 AromaticContact NE2-NE2 3Å; H504-H508 PolarHBondContact NE2-NE2 3.5Å; V505-H508 PolarHBondContact O-N 3.13Å; V505-H508 VanDerWaalsContact O-N 3.07Å; R506-H508 PolarHBondContact O-N 3.02Å
509	M	65.3	Low	69.5	Low	113 Å²	113	65 Å²	65	56%	0.557	35%	0.353	S	S	*	.	S	Bend	trans	-92.9	2.6	-176.8	-58	-177.7	74.2	0	0	112.7	V505 R506 E511	V505-M509 HydrophobicContact CG1-SD 4.27Å; R506-M509 PolarHBondContact O-N 3.13Å; M509-E511 PolarHBondContact O-N 3.25Å
510	D	55.2	Low	68.6	Low	137 Å²	137	64.8 Å²	64.8	73%	0.733	36%	0.36	S	S	*	.			trans	51.7	-1	-173.4	-84.7	-33.3	0	0	0	117.4	N512	D510-N512 PolarHBondContact O-N 2.85Å; D510-N512 PolarHBondContact O-ND2 2.82Å; D510-N512 VanDerWaalsContact O-ND2 3.16Å
511	E	60	Low	67.9	Low	64 Å²	64	67.7 Å²	67.7	30%	0.299	37%	0.369	S	S	.	.			trans	-69.4	74.3	170.4	-69.1	-168.5	168.6	0	0	111.5	M509 L513	M509-E511 PolarHBondContact O-N 3.25Å; E511-L513 VanDerWaalsContact C-N 3.27Å; E511-L513 PolarHBondContact O-N 3.36Å
512	N	58.4	Low	67.1	Low	58 Å²	58	68.3 Å²	68.3	31%	0.31	38%	0.379	S	S	.	.			trans	-70.6	84	166.5	-68.5	-88.6	0	0	0	109.4	D510 F514 A522 L524	D510-N512 PolarHBondContact O-N 2.85Å; D510-N512 PolarHBondContact O-ND2 2.82Å; D510-N512 VanDerWaalsContact O-ND2 3.16Å; N512-F514 PolarHBondContact O-N 3.19Å; N512-A522 HydrophobicContact CB-CB 3.39Å; N512-L524 WeakPolarHBondContact OD1-CD2 3.48Å
513	L	61.3	Low	66.7	Low	57 Å²	57	65.9 Å²	65.9	30%	0.298	37%	0.365	S	S	.	.			trans	-53.7	-28	-170.6	-64.7	171.4	0	0	0	114.7	E511 M585	E511-L513 VanDerWaalsContact C-N 3.27Å; E511-L513 PolarHBondContact O-N 3.36Å; L513-M585 HydrophobicContact CD1-CE 4.3Å; L513-M585 HydrophobicContact CD2-CE 4Å
514	F	62.9	Low	66.1	Low	60 Å²	60	66.8 Å²	66.8	26%	0.263	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	82	-171.2	-61.4	-68.3	0	0	0	111.7	N512 F523 A526 L529	N512-F514 PolarHBondContact O-N 3.19Å; F514-F523 HydrophobicContact CB-CB 4.26Å; F514-F523 PolarHBondContact N-O 2.87Å; F514-F523 WeakPolarHBondContact O-CD2 3.24Å; F514-F523 PolarHBondContact O-N 3.19Å; F514-A526 HydrophobicContact CD1-CB 3.94Å; F514-A526 HydrophobicContact CD2-CB 4.27Å; F514-A526 HydrophobicContact CE1-CB 3.73Å; F514-A526 HydrophobicContact CE2-CB 4.07Å; F514-A526 HydrophobicContact CG-CB 4.22Å; F514-A526 HydrophobicContact CZ-CB 3.8Å; F514-L529 HydrophobicContact CB-CB 3.9Å; F514-L529 HydrophobicContact CB-CD2 3.77Å; F514-L529 HydrophobicContact CB-CG 4.43Å; F514-L529 HydrophobicContact CD1-CD2 4.44Å
515	V	60	Low	65.6	Low	85 Å²	85	70.6 Å²	70.6	52%	0.515	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.8	176	-173.3	0	0	0	0	111.2	S517 A522	V515-S517 PolarHBondContact O-N 3.06Å; V515-A522 HydrophobicContact CG2-CB 3.96Å
516	C	71.4	Confident	65.5	Low	2 Å²	2	71.3 Å²	71.3	1%	0.014	40%	0.395	C	S	.	.			trans	-75	118.2	175.7	-173.6	0	0	0	0	111.8	D518 C519 G520 K521 F523 L529 H532	C516-D518 PolarHBondContact O-N 3.17Å; C516-C519 PolarHBondContact O-N 3.48Å; C516-G520 WeakPolarHBondContact O-CA 3.47Å; C516-G520 PolarHBondContact O-N 3.37Å; C516-K521 WeakPolarHBondContact CB-O 3.46Å; C516-K521 PolarHBondContact N-O 3.48Å; C516-F523 HydrophobicContact CB-CE2 4.35Å; C516-L529 HydrophobicContact CB-CD1 3.6Å; C516-H532 VanDerWaalsContact SG-CD2 3.55Å
517	S	70.2	Confident	65.6	Low	101 Å²	101	72.2 Å²	72.2	71%	0.706	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34	175.3	47.2	0	0	0	0	114.1	V515	V515-S517 PolarHBondContact O-N 3.06Å
518	D	67.4	Low	65.9	Low	73 Å²	73	73.8 Å²	73.8	39%	0.39	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.6	-172	-67.9	-116.9	0	0	0	113.8	C516 H536 K540	C516-D518 PolarHBondContact O-N 3.17Å; D518-H536 HydrophobicContact CB-CB 4.14Å; D518-K540 IonicContact OD1-NZ 3.74Å; D518-K540 PolarHBondContact OD1-NZ 2.95Å
519	C	75.1	Confident	66.2	Low	57 Å²	57	71.9 Å²	71.9	39%	0.385	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.5	5	177.1	70.1	0	0	0	0	117.9	C516 K521 H532 H536	C516-C519 PolarHBondContact O-N 3.48Å; C519-K521 PolarHBondContact O-N 3.23Å; C519-K521 VanDerWaalsContact O-N 3.15Å; C519-H532 PolarHBondContact SG-NE2 2.97Å; C519-H536 PolarHBondContact SG-NE2 3.29Å
520	G	60.2	Low	66.7	Low	53 Å²	53	71.3 Å²	71.3	55%	0.546	40%	0.395	S	S	.	.			trans	71.7	0.6	178.5	0	0	0	0	0	115.9	C516	C516-G520 WeakPolarHBondContact O-CA 3.47Å; C516-G520 PolarHBondContact O-N 3.37Å
521	K	65.4	Low	67.7	Low	129 Å²	129	70.4 Å²	70.4	56%	0.561	39%	0.386	S	S	*	.			trans	-66.3	134.1	172.9	-71.1	179.7	-178.8	179.5	0	110.3	C516 C519 F523	C516-K521 WeakPolarHBondContact CB-O 3.46Å; C516-K521 PolarHBondContact N-O 3.48Å; C519-K521 PolarHBondContact O-N 3.23Å; C519-K521 VanDerWaalsContact O-N 3.15Å; K521-F523 HydrophobicContact CB-CE2 3.75Å; K521-F523 HydrophobicContact CB-CZ 4Å; K521-F523 WeakPolarHBondContact O-CE2 3.13Å
522	A	63.5	Low	68.5	Low	43 Å²	43	68.2 Å²	68.2	36%	0.355	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.3	-172.6	0	0	0	0	0	111.5	N512 V515	N512-A522 HydrophobicContact CB-CB 3.39Å; V515-A522 HydrophobicContact CG2-CB 3.96Å
523	F	69.9	Low	69.3	Low	42 Å²	42	70.2 Å²	70.2	18%	0.184	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158	-170.3	-61.7	-88.6	0	0	0	111.5	F514 C516 K521 E528 L529 H532	F514-F523 HydrophobicContact CB-CB 4.26Å; F514-F523 PolarHBondContact N-O 2.87Å; F514-F523 WeakPolarHBondContact O-CD2 3.24Å; F514-F523 PolarHBondContact O-N 3.19Å; C516-F523 HydrophobicContact CB-CE2 4.35Å; K521-F523 HydrophobicContact CB-CE2 3.75Å; K521-F523 HydrophobicContact CB-CZ 4Å; K521-F523 WeakPolarHBondContact O-CE2 3.13Å; F523-E528 HydrophobicContact CB-CB 4.14Å; F523-E528 HydrophobicContact CD1-CB 3.86Å; F523-E528 HydrophobicContact CG-CB 4.3Å; F523-L529 HydrophobicContact CB-CB 4.24Å; F523-L529 HydrophobicContact CD2-CB 4.1Å; F523-L529 HydrophobicContact CD2-CD1 4.04Å; F523-L529 HydrophobicContact CE2-CD1 4.35Å; F523-L529 HydrophobicContact CG-CB 4.32Å; F523-H532 HydrophobicContact CE1-CB 4.07Å; F523-H532 HydrophobicContact CE2-CB 3.95Å; F523-H532 AromaticContact CE2-CD2 3.25Å; F523-H532 WeakPolarHBondContact CE2-CD2 3.5Å; F523-H532 AromaticContact CE2-CG 3.64Å; F523-H532 HydrophobicContact CZ-CB 3.58Å; F523-H532 AromaticContact CZ-CD2 3.37Å; F523-H532 WeakPolarHBondContact CZ-CD2 3.49Å; F523-H532 AromaticContact CZ-CG 3.29Å; F523-H532 AromaticContact CZ-ND1 3.9Å
524	L	63.8	Low	70.2	Confident	65 Å²	65	71 Å²	71	34%	0.34	39%	0.386	S	S	.	.	S	Bend	trans	-93.4	-31.4	-173.2	-62.8	172.1	0	0	0	111.9	T507 N512 E528	T507-L524 HydrophobicContact CG2-CD1 3.51Å; T507-L524 HydrophobicContact CG2-CD2 3.87Å; T507-L524 HydrophobicContact CG2-CG 4.29Å; N512-L524 WeakPolarHBondContact OD1-CD2 3.48Å; L524-E528 PolarHBondContact N-OE2 3.45Å
525	E	64.8	Low	70.7	Confident	96 Å²	96	73.3 Å²	73.3	45%	0.449	40%	0.4	S	S	.	.	S	Bend	trans	-121.3	139.9	174.4	-57.6	-167.3	170.3	0	0	112	H527 E528 L529	E525-H527 PolarHBondContact O-N 3.04Å; E525-H527 VanDerWaalsContact O-N 3.08Å; E525-E528 HydrophobicContact CB-CG 4.18Å; E525-E528 PolarHBondContact N-OE2 2.83Å; E525-E528 WeakPolarHBondContact O-CB 3.4Å; E525-E528 PolarHBondContact O-N 3.15Å; E525-L529 PolarHBondContact O-N 3.25Å
526	A	69.9	Low	71.3	Confident	50 Å²	50	71.5 Å²	71.5	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-29.1	-178.6	0	0	0	0	0	113.7	F514 E530	F514-A526 HydrophobicContact CD1-CB 3.94Å; F514-A526 HydrophobicContact CD2-CB 4.27Å; F514-A526 HydrophobicContact CE1-CB 3.73Å; F514-A526 HydrophobicContact CE2-CB 4.07Å; F514-A526 HydrophobicContact CG-CB 4.22Å; F514-A526 HydrophobicContact CZ-CB 3.8Å; A526-E530 PolarHBondContact O-N 3.12Å
527	H	75.5	Confident	71	Confident	120 Å²	120	78.6 Å²	78.6	56%	0.556	42%	0.419	S	S	*	.	H	α-helix	trans	-69.9	-33.5	175.7	170.9	-104.9	0	0	0	112.7	E525 E530 Q531	E525-H527 PolarHBondContact O-N 3.04Å; E525-H527 VanDerWaalsContact O-N 3.08Å; H527-E530 PolarHBondContact O-N 3.23Å; H527-Q531 PolarHBondContact CE1-NE2 2.87Å; H527-Q531 PolarHBondContact NE2-NE2 2.84Å; H527-Q531 VanDerWaalsContact NE2-NE2 3.18Å; H527-Q531 WeakPolarHBondContact O-CG 3.38Å; H527-Q531 PolarHBondContact O-N 3.42Å
528	E	75	Confident	70.5	Confident	81 Å²	81	84.2 Å²	84.2	38%	0.379	43%	0.425	S	S	.	.	H	α-helix	trans	-68.5	-42.2	174.7	-59.7	175.7	132.9	0	0	110.7	F523 L524 E525 Q531 H532	F523-E528 HydrophobicContact CB-CB 4.14Å; F523-E528 HydrophobicContact CD1-CB 3.86Å; F523-E528 HydrophobicContact CG-CB 4.3Å; L524-E528 PolarHBondContact N-OE2 3.45Å; E525-E528 HydrophobicContact CB-CG 4.18Å; E525-E528 PolarHBondContact N-OE2 2.83Å; E525-E528 WeakPolarHBondContact O-CB 3.4Å; E525-E528 PolarHBondContact O-N 3.15Å; E528-Q531 PolarHBondContact O-N 3.1Å; E528-H532 VanDerWaalsContact O-CB 3.3Å; E528-H532 WeakPolarHBondContact O-CB 3.45Å; E528-H532 PolarHBondContact O-N 3.15Å
529	L	75.9	Confident	69.8	Low	23 Å²	23	83.6 Å²	83.6	12%	0.12	44%	0.435	C	S	.	.	H	α-helix	trans	-59.2	-46.7	171.6	170.7	60.5	0	0	0	111.1	F514 C516 F523 E525 Q531 H532 R533	F514-L529 HydrophobicContact CB-CB 3.9Å; F514-L529 HydrophobicContact CB-CD2 3.77Å; F514-L529 HydrophobicContact CB-CG 4.43Å; F514-L529 HydrophobicContact CD1-CD2 4.44Å; C516-L529 HydrophobicContact CB-CD1 3.6Å; F523-L529 HydrophobicContact CB-CB 4.24Å; F523-L529 HydrophobicContact CD2-CB 4.1Å; F523-L529 HydrophobicContact CD2-CD1 4.04Å; F523-L529 HydrophobicContact CE2-CD1 4.35Å; F523-L529 HydrophobicContact CG-CB 4.32Å; E525-L529 PolarHBondContact O-N 3.25Å; L529-Q531 PolarHBondContact O-N 3Å; L529-H532 CarbonylContact O-C 3.36Å; L529-H532 WeakPolarHBondContact O-CA 3.37Å; L529-H532 WeakPolarHBondContact O-CB 3.46Å; L529-H532 PolarHBondContact O-N 3.06Å; L529-H532 VanDerWaalsContact O-N 3.08Å; L529-R533 HydrophobicContact CD1-CG 3.96Å; L529-R533 HydrophobicContact CG-CG 4.38Å; L529-R533 WeakPolarHBondContact O-CG 3.43Å; L529-R533 PolarHBondContact O-N 3.41Å
530	E	74.8	Confident	68.6	Low	102 Å²	102	87.6 Å²	87.6	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-66.1	-41	-178.1	-164.9	64.9	-177.2	0	0	112	A526 H527 H532 R533 V534	A526-E530 PolarHBondContact O-N 3.12Å; H527-E530 PolarHBondContact O-N 3.23Å; E530-H532 VanDerWaalsContact C-N 3.26Å; E530-H532 PolarHBondContact O-N 3.29Å; E530-R533 PolarHBondContact O-N 3.03Å; E530-R533 IonicContact OE1-NH1 3.73Å; E530-R533 PolarHBondContact OE1-NH1 3.3Å; E530-R533 WeakPolarHBondContact OE2-CD 3.5Å; E530-R533 IonicContact OE2-CZ 3.43Å; E530-R533 IonicContact OE2-NE 2.89Å; E530-R533 IonicContact OE2-NH1 3.44Å; E530-R533 PolarHBondContact OE2-NH1 3.23Å; E530-V534 PolarHBondContact O-N 2.95Å
531	Q	76.1	Confident	67.8	Low	118 Å²	118	90.6 Å²	90.6	55%	0.551	45%	0.454	S	S	*	.	H	α-helix	trans	-59.8	-36.9	170.1	-74.2	-168.6	-8.5	0	0	112.4	H527 E528 L529	H527-Q531 PolarHBondContact CE1-NE2 2.87Å; H527-Q531 PolarHBondContact NE2-NE2 2.84Å; H527-Q531 VanDerWaalsContact NE2-NE2 3.18Å; H527-Q531 WeakPolarHBondContact O-CG 3.38Å; H527-Q531 PolarHBondContact O-N 3.42Å; E528-Q531 PolarHBondContact O-N 3.1Å; L529-Q531 PolarHBondContact O-N 3Å
532	H	76.8	Confident	66.9	Low	17 Å²	17	89.9 Å²	89.9	8%	0.079	46%	0.463	C	S	.	.	H	α-helix	trans	-70.4	-35.5	176.9	175.8	57.4	0	0	0	113	C516 C519 F523 E528 L529 E530 V534 I535 H536	C516-H532 VanDerWaalsContact SG-CD2 3.55Å; C519-H532 PolarHBondContact SG-NE2 2.97Å; F523-H532 HydrophobicContact CE1-CB 4.07Å; F523-H532 HydrophobicContact CE2-CB 3.95Å; F523-H532 AromaticContact CE2-CD2 3.25Å; F523-H532 WeakPolarHBondContact CE2-CD2 3.5Å; F523-H532 AromaticContact CE2-CG 3.64Å; F523-H532 HydrophobicContact CZ-CB 3.58Å; F523-H532 AromaticContact CZ-CD2 3.37Å; F523-H532 WeakPolarHBondContact CZ-CD2 3.49Å; F523-H532 AromaticContact CZ-CG 3.29Å; F523-H532 AromaticContact CZ-ND1 3.9Å; E528-H532 VanDerWaalsContact O-CB 3.3Å; E528-H532 WeakPolarHBondContact O-CB 3.45Å; E528-H532 PolarHBondContact O-N 3.15Å; L529-H532 CarbonylContact O-C 3.36Å; L529-H532 WeakPolarHBondContact O-CA 3.37Å; L529-H532 WeakPolarHBondContact O-CB 3.46Å; L529-H532 PolarHBondContact O-N 3.06Å; L529-H532 VanDerWaalsContact O-N 3.08Å; E530-H532 VanDerWaalsContact C-N 3.26Å; E530-H532 PolarHBondContact O-N 3.29Å; H532-V534 VanDerWaalsContact C-N 3.29Å; H532-V534 PolarHBondContact O-N 3.22Å; H532-I535 VanDerWaalsContact O-CB 3.23Å; H532-I535 WeakPolarHBondContact O-CB 3.42Å; H532-I535 WeakPolarHBondContact O-CG1 3.42Å; H532-I535 PolarHBondContact O-N 3.03Å; H532-H536 AromaticContact CE1-NE2 3.73Å; H532-H536 AromaticContact NE2-CD2 3.91Å; H532-H536 AromaticContact NE2-NE2 3.51Å
533	R	75.9	Confident	65.8	Low	100 Å²	100	92.6 Å²	92.6	38%	0.377	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-33.6	177.4	-71.7	171.9	77.7	-137.4	1.6	112.6	L529 E530 I535 H536 E537	L529-R533 HydrophobicContact CD1-CG 3.96Å; L529-R533 HydrophobicContact CG-CG 4.38Å; L529-R533 WeakPolarHBondContact O-CG 3.43Å; L529-R533 PolarHBondContact O-N 3.41Å; E530-R533 PolarHBondContact O-N 3.03Å; E530-R533 IonicContact OE1-NH1 3.73Å; E530-R533 PolarHBondContact OE1-NH1 3.3Å; E530-R533 WeakPolarHBondContact OE2-CD 3.5Å; E530-R533 IonicContact OE2-CZ 3.43Å; E530-R533 IonicContact OE2-NE 2.89Å; E530-R533 IonicContact OE2-NH1 3.44Å; E530-R533 PolarHBondContact OE2-NH1 3.23Å; R533-I535 PolarHBondContact O-N 3.27Å; R533-I535 VanDerWaalsContact O-N 3.13Å; R533-H536 WeakPolarHBondContact O-CB 3.38Å; R533-H536 PolarHBondContact O-N 3.27Å; R533-E537 PolarHBondContact O-N 2.73Å
534	V	78.9	Confident	64.5	Low	73 Å²	73	102.6 Å²	102.6	44%	0.442	52%	0.522	S	S	.	.	H	α-helix	trans	-58.5	-25.6	172.8	179	0	0	0	0	112.7	E530 H532 E537 R538	E530-V534 PolarHBondContact O-N 2.95Å; H532-V534 VanDerWaalsContact C-N 3.29Å; H532-V534 PolarHBondContact O-N 3.22Å; V534-E537 PolarHBondContact O-N 3.15Å; V534-R538 PolarHBondContact O-N 2.89Å; V534-R538 VanDerWaalsContact O-N 3.1Å
535	I	73.8	Confident	63.4	Low	110 Å²	110	110.5 Å²	110.5	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-69.4	-36.3	174.9	-50.9	179.8	0	0	0	110.8	H532 R533 R538 G539	H532-I535 VanDerWaalsContact O-CB 3.23Å; H532-I535 WeakPolarHBondContact O-CB 3.42Å; H532-I535 WeakPolarHBondContact O-CG1 3.42Å; H532-I535 PolarHBondContact O-N 3.03Å; R533-I535 PolarHBondContact O-N 3.27Å; R533-I535 VanDerWaalsContact O-N 3.13Å; I535-R538 PolarHBondContact O-N 2.99Å; I535-G539 PolarHBondContact O-N 3.49Å
536	H	73	Confident	62.4	Low	46 Å²	46	110.2 Å²	110.2	21%	0.213	56%	0.561	C	S	.	*	H	α-helix	trans	-71.9	-29.7	176.2	-75.1	-78.5	0	0	0	113.2	D518 C519 H532 R533 K540	D518-H536 HydrophobicContact CB-CB 4.14Å; C519-H536 PolarHBondContact SG-NE2 3.29Å; H532-H536 AromaticContact CE1-NE2 3.73Å; H532-H536 AromaticContact NE2-CD2 3.91Å; H532-H536 AromaticContact NE2-NE2 3.51Å; R533-H536 WeakPolarHBondContact O-CB 3.38Å; R533-H536 PolarHBondContact O-N 3.27Å; H536-K540 WeakPolarHBondContact O-CG 3.37Å
537	E	64.4	Low	60.8	Low	152 Å²	152	117.4 Å²	117.4	71%	0.71	59%	0.586	S	S	*	*	H	α-helix	trans	-72.4	-41.3	172.8	-60.2	-159.9	141.4	0	0	111.8	R533 V534 G539 K540	R533-E537 PolarHBondContact O-N 2.73Å; V534-E537 PolarHBondContact O-N 3.15Å; E537-G539 PolarHBondContact O-N 3.31Å; E537-K540 PolarHBondContact O-N 3.23Å
538	R	60.9	Low	58.7	Low	218 Å²	218	115.8 Å²	115.8	82%	0.823	60%	0.601	S	S	*	*	H	α-helix	trans	-62.4	-21.2	173.3	-82.1	-175	166.8	-172.8	-3.7	114.2	V534 I535	V534-R538 PolarHBondContact O-N 2.89Å; V534-R538 VanDerWaalsContact O-N 3.1Å; I535-R538 PolarHBondContact O-N 2.99Å
539	G	51.7	Low	56.8	Low	60 Å²	60	118.8 Å²	118.8	62%	0.619	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-8	-179.8	0	0	0	0	0	116	I535 E537	I535-G539 PolarHBondContact O-N 3.49Å; E537-G539 PolarHBondContact O-N 3.31Å
540	K	50	Low	54.6	Low	142 Å²	142	122.2 Å²	122.2	62%	0.617	65%	0.652	S	S	*	*			trans	-106.8	80.4	-169.1	-68.7	170	-172.5	168.5	0	112.2	D518 H536 E537	D518-K540 IonicContact OD1-NZ 3.74Å; D518-K540 PolarHBondContact OD1-NZ 2.95Å; H536-K540 WeakPolarHBondContact O-CG 3.37Å; E537-K540 PolarHBondContact O-N 3.23Å
541	T	43	Very low	52.6	Low	116 Å²	116	125.7 Å²	125.7	71%	0.712	67%	0.673	S	S	*	*			trans	-89.2	160	168.6	52.3	0	0	0	0	111.5	A543	T541-A543 VanDerWaalsContact C-N 3.34Å; T541-A543 PolarHBondContact O-N 2.84Å
542	P	47	Very low	50.7	Low	114 Å²	114	127.5 Å²	127.5	74%	0.74	69%	0.685	S	S	*	*	S	Bend	trans	-86	43.1	-140.2	34	-38.5	0	0	0	117.1	R544	P542-R544 VanDerWaalsContact C-N 3.32Å; P542-R544 PolarHBondContact O-N 3.16Å
543	A	39.9	Very low	48.4	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	24.9	-174.4	0	0	0	0	0	116.2	T541	T541-A543 VanDerWaalsContact C-N 3.34Å; T541-A543 PolarHBondContact O-N 2.84Å
544	R	43.4	Very low	46.4	Very low	253 Å²	253	134 Å²	134	96%	0.955	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	25.5	171.9	-87.2	-162.7	175.6	-160.2	-0.5	114.9	P542	P542-R544 VanDerWaalsContact C-N 3.32Å; P542-R544 PolarHBondContact O-N 3.16Å
545	R	41.7	Very low	44	Very low	230 Å²	230	134 Å²	134	87%	0.868	76%	0.76	S	S	*	*			trans	-93.7	93.4	158.2	-84.7	-178	167.8	155.9	-4.4	109.5
546	A	42.4	Very low	42	Very low	90 Å²	90	134.9 Å²	134.9	74%	0.744	77%	0.766	S	S	*	*	S	Bend	trans	171.8	64.6	155.1	0	0	0	0	0	113.2
547	Q	37.3	Very low	40	Very low	202 Å²	202	138.7 Å²	138.7	94%	0.944	79%	0.794	S	S	*	*	S	Bend	trans	176.6	125.4	147.3	-101.1	163.3	22.9	0	0	108.7
548	G	30.5	Very low	38.6	Very low	85 Å²	85	135.5 Å²	135.5	88%	0.876	79%	0.789	S	S	*	*			trans	110.2	32	176.7	0	0	0	0	0	117
549	D	34.5	Very low	37.5	Very low	144 Å²	144	132.3 Å²	132.3	77%	0.77	79%	0.787	S	S	*	*			trans	-129.4	81.5	172.6	-150.7	-11.3	0	0	0	109.8
550	A	31.2	Very low	36.5	Very low	96 Å²	96	137.8 Å²	137.8	79%	0.793	80%	0.801	S	S	*	*	S	Bend	trans	-156.5	20.5	-174.7	0	0	0	0	0	115.5
551	L	31.5	Very low	35.5	Very low	175 Å²	175	136 Å²	136	92%	0.916	80%	0.802	S	S	*	*			trans	-166.7	113	159.6	-111.8	159.3	0	0	0	110.3
552	L	36.6	Very low	35	Very low	155 Å²	155	135.3 Å²	135.3	81%	0.812	80%	0.8	S	S	*	*			trans	-93.7	129.8	-176.9	-63.2	169.4	0	0	0	110.4
553	G	28.1	Very low	34.3	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	80%	0.796	S	S	*	*			trans	173.5	52.3	179.7	0	0	0	0	0	118.3
554	L	34.3	Very low	34.2	Very low	181 Å²	181	136.5 Å²	136.5	95%	0.948	80%	0.8	S	S	*	*			trans	43.9	82.7	161.2	-59.3	178	0	0	0	117.2
555	G	28.6	Very low	34.2	Very low	73 Å²	73	127.1 Å²	127.1	75%	0.753	78%	0.781	S	S	*	*			trans	-77.6	136.7	166.8	0	0	0	0	0	113.1	P557	G555-P557 WeakPolarHBondContact O-CD 3.47Å
556	D	31.6	Very low	34.4	Very low	128 Å²	128	119 Å²	119	68%	0.684	76%	0.763	S	S	*	*			trans	-74	119.1	169.5	-177.2	-29	0	0	0	110.1	S558	D556-S558 PolarHBondContact O-N 3.17Å; D556-S558 VanDerWaalsContact O-N 3.12Å; D556-S558 VanDerWaalsContact OD1-CB 3.26Å; D556-S558 WeakPolarHBondContact OD1-CB 3.19Å; D556-S558 PolarHBondContact OD1-N 2.94Å; D556-S558 PolarHBondContact OD1-OG 2.94Å
557	P	32.3	Very low	34.7	Very low	126 Å²	126	120.5 Å²	120.5	82%	0.818	75%	0.753	S	S	*	*			trans	-80.7	28.7	179.7	-13.2	31.6	0	0	0	115	G555	G555-P557 WeakPolarHBondContact O-CD 3.47Å
558	S	34.6	Very low	35.3	Very low	85 Å²	85	115.4 Å²	115.4	59%	0.594	74%	0.738	S	S	*	*			trans	-64.8	135.8	168.4	-67.5	0	0	0	0	111.2	D556	D556-S558 PolarHBondContact O-N 3.17Å; D556-S558 VanDerWaalsContact O-N 3.12Å; D556-S558 VanDerWaalsContact OD1-CB 3.26Å; D556-S558 WeakPolarHBondContact OD1-CB 3.19Å; D556-S558 PolarHBondContact OD1-N 2.94Å; D556-S558 PolarHBondContact OD1-OG 2.94Å
559	L	36.5	Very low	36.5	Very low	150 Å²	150	114 Å²	114	79%	0.785	71%	0.708	S	S	*	*			trans	72.9	72.2	175.9	-49.4	-179.1	0	0	0	117.8
560	L	31.6	Very low	37.6	Very low	175 Å²	175	113.2 Å²	113.2	92%	0.916	70%	0.698	S	S	*	*				-131.9	78.5	125.7	-104.6	-179.5	0	0	0	110.5
561	T	29.6	Very low	39	Very low	104 Å²	104	108.7 Å²	108.7	64%	0.638	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.3	136.1	172.7	47.5	0	0	0	0	111.2
562	P	32.2	Very low	40.1	Very low	102 Å²	102	107.2 Å²	107.2	66%	0.662	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-62.3	154.2	160.2	30	-34.5	0	0	0	109.8
563	P	31.3	Very low	41.1	Very low	100 Å²	100	104.8 Å²	104.8	65%	0.649	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.2	-175.4	23.3	-33.6	0	0	0	111.6	G565 A566	P563-G565 PolarHBondContact O-N 2.85Å; P563-A566 PolarHBondContact O-N 3.05Å
564	P	38.4	Very low	42.7	Very low	139 Å²	139	104 Å²	104	90%	0.903	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	100.9	-173.1	27.2	-34.5	0	0	0	110.9
565	G	43.3	Very low	43.7	Very low	55 Å²	55	97.3 Å²	97.3	57%	0.567	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	146.9	-17.5	179.9	0	0	0	0	0	114.6	P563 K567	P563-G565 PolarHBondContact O-N 2.85Å; G565-K567 PolarHBondContact O-N 3.45Å
566	A	46.6	Very low	45.4	Very low	59 Å²	59	100.2 Å²	100.2	49%	0.488	59%	0.593	S	S	.	*			trans	-61.2	121.5	176.1	0	0	0	0	0	111.5	P563 P568	P563-A566 PolarHBondContact O-N 3.05Å; A566-P568 WeakPolarHBondContact O-CD 3.13Å
567	K	49	Very low	46.8	Very low	122 Å²	122	94.8 Å²	94.8	53%	0.53	57%	0.567	S	S	.	*			trans	-116.1	82.6	-178	-81.8	155.8	173.6	-89.9	0	109.4	G565 H569 G577 F578 N579	G565-K567 PolarHBondContact O-N 3.45Å; K567-H569 VanDerWaalsContact C-N 3.29Å; K567-H569 PolarHBondContact O-N 3.34Å; K567-G577 WeakPolarHBondContact CD-O 3.41Å; K567-G577 PolarHBondContact NZ-O 2.82Å; K567-F578 CarbonylContact C-O 3.59Å; K567-N579 WeakPolarHBondContact CG-OD1 3.38Å
568	P	49.3	Very low	48.5	Very low	96 Å²	96	90.8 Å²	90.8	62%	0.623	54%	0.537	S	S	*	.			trans	-60.7	-32.6	-171.7	21.5	-33.6	0	0	0	114.2	A566 F578	A566-P568 WeakPolarHBondContact O-CD 3.13Å; P568-F578 WeakPolarHBondContact CD-O 3.12Å
569	H	56.1	Low	49.4	Very low	54 Å²	54	92 Å²	92	25%	0.25	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	101.7	-176.6	-52.9	-79.4	0	0	0	110.7	K567 F578 F584	K567-H569 VanDerWaalsContact C-N 3.29Å; K567-H569 PolarHBondContact O-N 3.34Å; H569-F578 HydrophobicContact CB-CB 4.45Å; H569-F578 PolarHBondContact N-O 3.22Å; H569-F578 VanDerWaalsContact N-O 3.08Å; H569-F578 PolarHBondContact O-N 3.37Å; H569-F584 HydrophobicContact CB-CB 3.66Å; H569-F584 HydrophobicContact CB-CD1 3.84Å; H569-F584 HydrophobicContact CB-CD2 3.63Å; H569-F584 HydrophobicContact CB-CE1 4.32Å; H569-F584 HydrophobicContact CB-CE2 4.13Å; H569-F584 HydrophobicContact CB-CG 3.45Å; H569-F584 VanDerWaalsContact CB-CG 3.45Å; H569-F584 HydrophobicContact CB-CZ 4.44Å
570	K	56.5	Low	50.7	Low	128 Å²	128	88.8 Å²	88.8	56%	0.557	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	120	-175.5	-165.5	178.9	-178.7	-176.2	0	111.8	L572 G575 K576	K570-L572 PolarHBondContact O-N 3.01Å; K570-G575 WeakPolarHBondContact CE-O 3.43Å; K570-G575 WeakPolarHBondContact CG-O 3.38Å; K570-K576 WeakPolarHBondContact CA-O 3.31Å
571	C	61	Low	51.9	Low	1 Å²	1	84.7 Å²	84.7	1%	0.007	50%	0.497	C	S	.	.			trans	-64.3	120	175.6	-178.6	0	0	0	0	110.3	V573 G575 K576 F578 H587	C571-V573 VanDerWaalsContact C-N 3.32Å; C571-V573 PolarHBondContact O-N 3.16Å; C571-G575 CarbonylContact O-C 3.49Å; C571-G575 WeakPolarHBondContact O-CA 3.35Å; C571-G575 PolarHBondContact O-N 3.49Å; C571-K576 PolarHBondContact N-O 3.14Å; C571-F578 HydrophobicContact CB-CE2 4.35Å; C571-H587 VanDerWaalsContact CB-NE2 3.33Å; C571-H587 WeakPolarHBondContact CB-NE2 3.34Å; C571-H587 PolarHBondContact SG-NE2 2.89Å; C571-H587 VanDerWaalsContact SG-NE2 3.4Å
572	L	54.7	Low	53.5	Low	144 Å²	144	81.7 Å²	81.7	75%	0.754	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.3	179.8	-57.3	179.1	0	0	0	112.8	K570	K570-L572 PolarHBondContact O-N 3.01Å
573	V	57.4	Low	54.9	Low	105 Å²	105	80.8 Å²	80.8	64%	0.636	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-26.9	-178.2	-166.3	0	0	0	0	113.1	C571 H591	C571-V573 VanDerWaalsContact C-N 3.32Å; C571-V573 PolarHBondContact O-N 3.16Å; V573-H591 HydrophobicContact CB-CB 4.23Å; V573-H591 HydrophobicContact CG1-CB 4.12Å; V573-H591 VanDerWaalsContact CG1-ND1 3.32Å; V573-H591 WeakPolarHBondContact CG1-ND1 3.47Å; V573-H591 HydrophobicContact CG2-CB 4.09Å
574	C	61.8	Low	56.8	Low	57 Å²	57	76.5 Å²	76.5	39%	0.385	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	9.3	178.3	77.1	0	0	0	0	115.5	K576 H587	C574-K576 PolarHBondContact O-N 3.48Å; C574-K576 VanDerWaalsContact O-N 3.08Å; C574-H587 VanDerWaalsContact SG-CE1 3.53Å; C574-H587 PolarHBondContact SG-NE2 3.34Å
575	G	54.8	Low	57.9	Low	41 Å²	41	72.3 Å²	72.3	42%	0.423	42%	0.415	S	S	.	.			trans	71.7	-5.7	175.9	0	0	0	0	0	116.5	K570 C571 G577	K570-G575 WeakPolarHBondContact CE-O 3.43Å; K570-G575 WeakPolarHBondContact CG-O 3.38Å; C571-G575 CarbonylContact O-C 3.49Å; C571-G575 WeakPolarHBondContact O-CA 3.35Å; C571-G575 PolarHBondContact O-N 3.49Å; G575-G577 PolarHBondContact O-N 3.06Å
576	K	64.8	Low	58.7	Low	134 Å²	134	72.1 Å²	72.1	58%	0.583	40%	0.399	S	S	*	.			trans	-70.2	127.4	-175.4	-71.2	-175.5	178.6	-177.1	0	112.2	K570 C571 C574 F578	K570-K576 WeakPolarHBondContact CA-O 3.31Å; C571-K576 PolarHBondContact N-O 3.14Å; C574-K576 PolarHBondContact O-N 3.48Å; C574-K576 VanDerWaalsContact O-N 3.08Å; K576-F578 HydrophobicContact CB-CE2 3.61Å; K576-F578 HydrophobicContact CB-CZ 3.88Å; K576-F578 VanDerWaalsContact O-CD2 3.32Å; K576-F578 WeakPolarHBondContact O-CD2 3.22Å; K576-F578 WeakPolarHBondContact O-CE2 3.48Å
577	G	60.4	Low	59.7	Low	14 Å²	14	70.3 Å²	70.3	14%	0.144	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	138.2	175.2	0	0	0	0	0	113.5	K567 G575	K567-G577 WeakPolarHBondContact CD-O 3.41Å; K567-G577 PolarHBondContact NZ-O 2.82Å; G575-G577 PolarHBondContact O-N 3.06Å
578	F	68.4	Low	60.1	Low	42 Å²	42	66.8 Å²	66.8	18%	0.184	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.6	-177	-58.3	-94.9	0	0	0	110.9	K567 P568 H569 C571 K576 I583 F584 H587	K567-F578 CarbonylContact C-O 3.59Å; P568-F578 WeakPolarHBondContact CD-O 3.12Å; H569-F578 HydrophobicContact CB-CB 4.45Å; H569-F578 PolarHBondContact N-O 3.22Å; H569-F578 VanDerWaalsContact N-O 3.08Å; H569-F578 PolarHBondContact O-N 3.37Å; C571-F578 HydrophobicContact CB-CE2 4.35Å; K576-F578 HydrophobicContact CB-CE2 3.61Å; K576-F578 HydrophobicContact CB-CZ 3.88Å; K576-F578 VanDerWaalsContact O-CD2 3.32Å; K576-F578 WeakPolarHBondContact O-CD2 3.22Å; K576-F578 WeakPolarHBondContact O-CE2 3.48Å; F578-I583 HydrophobicContact CD1-CG2 3.79Å; F578-I583 HydrophobicContact CE1-CG2 4.17Å; F578-F584 HydrophobicContact CB-CB 4.28Å; F578-F584 HydrophobicContact CD2-CD2 4.22Å; F578-H587 HydrophobicContact CE1-CB 4.35Å; F578-H587 HydrophobicContact CE2-CB 4.34Å; F578-H587 AromaticContact CE2-CD2 3.12Å; F578-H587 WeakPolarHBondContact CE2-CD2 3.45Å; F578-H587 AromaticContact CE2-CG 3.8Å; F578-H587 AromaticContact CE2-NE2 3.64Å; F578-H587 HydrophobicContact CZ-CB 3.96Å; F578-H587 AromaticContact CZ-CD2 3.26Å; F578-H587 WeakPolarHBondContact CZ-CD2 3.44Å; F578-H587 AromaticContact CZ-CG 3.47Å; F578-H587 VanDerWaalsContact CZ-CG 3.47Å; F578-H587 AromaticContact CZ-NE2 3.71Å
579	N	53.3	Low	61	Low	110 Å²	110	66.6 Å²	66.6	59%	0.588	35%	0.353	S	S	*	.	S	Bend	trans	-107.7	-8	-176.6	-61.5	28.3	0	0	0	112.9	K567	K567-N579 WeakPolarHBondContact CG-OD1 3.38Å
580	D	65.2	Low	61.3	Low	83 Å²	83	68 Å²	68	44%	0.444	36%	0.362	S	S	.	.			trans	-126	128.3	-176.9	177.1	-82.9	0	0	0	109.2	G582 I583 F584	D580-G582 VanDerWaalsContact OD1-CA 3.28Å; D580-G582 WeakPolarHBondContact OD1-CA 3.39Å; D580-G582 PolarHBondContact OD1-N 2.61Å; D580-I583 HydrophobicContact CB-CB 4.27Å; D580-I583 HydrophobicContact CB-CD1 4.12Å; D580-I583 HydrophobicContact CB-CG1 4.24Å; D580-I583 WeakPolarHBondContact OD1-CG1 3.48Å; D580-I583 PolarHBondContact OD1-N 3.44Å; D580-F584 WeakPolarHBondContact O-CB 3.16Å; D580-F584 PolarHBondContact O-N 3.23Å
581	E	55.4	Low	61.4	Low	89 Å²	89	65.7 Å²	65.7	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-35.4	-176.7	-166	-168.9	155	0	0	112	F584 M585	E581-F584 PolarHBondContact O-N 3.48Å; E581-M585 HydrophobicContact CG-CG 4.31Å; E581-M585 VanDerWaalsContact O-CB 3.27Å; E581-M585 WeakPolarHBondContact O-CB 3.4Å; E581-M585 WeakPolarHBondContact O-CG 3.39Å; E581-M585 PolarHBondContact O-N 3.08Å
582	G	63.8	Low	60.8	Low	41 Å²	41	72 Å²	72	42%	0.423	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-46.3	178.4	0	0	0	0	0	112	D580 M585 Q586	D580-G582 VanDerWaalsContact OD1-CA 3.28Å; D580-G582 WeakPolarHBondContact OD1-CA 3.39Å; D580-G582 PolarHBondContact OD1-N 2.61Å; G582-M585 PolarHBondContact O-N 3.3Å; G582-Q586 WeakPolarHBondContact O-CB 3.37Å; G582-Q586 PolarHBondContact O-N 2.96Å
583	I	62.4	Low	60.3	Low	82 Å²	82	68.4 Å²	68.4	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-39.9	175	-64	176	0	0	0	110.6	F578 D580 Q586 H587	F578-I583 HydrophobicContact CD1-CG2 3.79Å; F578-I583 HydrophobicContact CE1-CG2 4.17Å; D580-I583 HydrophobicContact CB-CB 4.27Å; D580-I583 HydrophobicContact CB-CD1 4.12Å; D580-I583 HydrophobicContact CB-CG1 4.24Å; D580-I583 WeakPolarHBondContact OD1-CG1 3.48Å; D580-I583 PolarHBondContact OD1-N 3.44Å; I583-Q586 CarbonylContact O-C 3.57Å; I583-Q586 PolarHBondContact O-N 2.82Å; I583-H587 WeakPolarHBondContact O-CB 3.26Å; I583-H587 PolarHBondContact O-N 3.28Å
584	F	70.3	Confident	59.7	Low	10 Å²	10	69.7 Å²	69.7	4%	0.044	38%	0.382	C	S	.	.	H	α-helix	trans	-62.8	-49.8	174.5	169.8	-108.4	0	0	0	112.7	H569 F578 D580 E581 Q586 H587 Q588	H569-F584 HydrophobicContact CB-CB 3.66Å; H569-F584 HydrophobicContact CB-CD1 3.84Å; H569-F584 HydrophobicContact CB-CD2 3.63Å; H569-F584 HydrophobicContact CB-CE1 4.32Å; H569-F584 HydrophobicContact CB-CE2 4.13Å; H569-F584 HydrophobicContact CB-CG 3.45Å; H569-F584 VanDerWaalsContact CB-CG 3.45Å; H569-F584 HydrophobicContact CB-CZ 4.44Å; F578-F584 HydrophobicContact CB-CB 4.28Å; F578-F584 HydrophobicContact CD2-CD2 4.22Å; D580-F584 WeakPolarHBondContact O-CB 3.16Å; D580-F584 PolarHBondContact O-N 3.23Å; E581-F584 PolarHBondContact O-N 3.48Å; F584-Q586 PolarHBondContact O-N 3.04Å; F584-H587 PolarHBondContact O-N 3.13Å; F584-Q588 HydrophobicContact CD2-CG 4.47Å; F584-Q588 HydrophobicContact CE1-CG 4.36Å; F584-Q588 HydrophobicContact CE2-CG 4.05Å; F584-Q588 HydrophobicContact CZ-CG 4.01Å; F584-Q588 PolarHBondContact O-N 2.93Å
585	M	61.2	Low	58.5	Low	51 Å²	51	72.4 Å²	72.4	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-25.9	174.8	-74.7	-77.2	178.8	0	0	112.3	L513 E581 G582 R589	L513-M585 HydrophobicContact CD1-CE 4.3Å; L513-M585 HydrophobicContact CD2-CE 4Å; E581-M585 HydrophobicContact CG-CG 4.31Å; E581-M585 VanDerWaalsContact O-CB 3.27Å; E581-M585 WeakPolarHBondContact O-CB 3.4Å; E581-M585 WeakPolarHBondContact O-CG 3.39Å; E581-M585 PolarHBondContact O-N 3.08Å; G582-M585 PolarHBondContact O-N 3.3Å; M585-R589 PolarHBondContact O-NE 3.16Å; M585-R589 PolarHBondContact O-NH2 3.41Å
586	Q	60.6	Low	58	Low	51 Å²	51	71.4 Å²	71.4	24%	0.238	38%	0.378	C	S	.	.	H	α-helix	trans	-81.3	-34.2	171.8	-150.4	157.4	-14.9	0	0	112	G582 I583 F584 R589 P596 Y597	G582-Q586 WeakPolarHBondContact O-CB 3.37Å; G582-Q586 PolarHBondContact O-N 2.96Å; I583-Q586 CarbonylContact O-C 3.57Å; I583-Q586 PolarHBondContact O-N 2.82Å; F584-Q586 PolarHBondContact O-N 3.04Å; Q586-R589 VanDerWaalsContact CA-NH2 3.35Å; Q586-P596 HydrophobicContact CG-CB 3.77Å; Q586-P596 HydrophobicContact CG-CG 4.23Å; Q586-P596 PolarHBondContact NE2-O 3.42Å; Q586-P596 WeakPolarHBondContact O-CG 3.24Å; Q586-Y597 HydrophobicContact CB-CE2 3.82Å; Q586-Y597 HydrophobicContact CG-CD2 3.95Å; Q586-Y597 HydrophobicContact CG-CE1 4.28Å; Q586-Y597 HydrophobicContact CG-CE2 3.41Å; Q586-Y597 VanDerWaalsContact CG-CE2 3.41Å; Q586-Y597 PolarHBondContact OE1-OH 3.28Å
587	H	67.5	Low	56.7	Low	22 Å²	22	70.7 Å²	70.7	10%	0.102	37%	0.373	C	S	.	.	H	α-helix	trans	-72.4	-40.9	175.3	172.3	58.8	0	0	0	113.5	C571 C574 F578 I583 F584 R589 I590 H591	C571-H587 VanDerWaalsContact CB-NE2 3.33Å; C571-H587 WeakPolarHBondContact CB-NE2 3.34Å; C571-H587 PolarHBondContact SG-NE2 2.89Å; C571-H587 VanDerWaalsContact SG-NE2 3.4Å; C574-H587 VanDerWaalsContact SG-CE1 3.53Å; C574-H587 PolarHBondContact SG-NE2 3.34Å; F578-H587 HydrophobicContact CE1-CB 4.35Å; F578-H587 HydrophobicContact CE2-CB 4.34Å; F578-H587 AromaticContact CE2-CD2 3.12Å; F578-H587 WeakPolarHBondContact CE2-CD2 3.45Å; F578-H587 AromaticContact CE2-CG 3.8Å; F578-H587 AromaticContact CE2-NE2 3.64Å; F578-H587 HydrophobicContact CZ-CB 3.96Å; F578-H587 AromaticContact CZ-CD2 3.26Å; F578-H587 WeakPolarHBondContact CZ-CD2 3.44Å; F578-H587 AromaticContact CZ-CG 3.47Å; F578-H587 VanDerWaalsContact CZ-CG 3.47Å; F578-H587 AromaticContact CZ-NE2 3.71Å; I583-H587 WeakPolarHBondContact O-CB 3.26Å; I583-H587 PolarHBondContact O-N 3.28Å; F584-H587 PolarHBondContact O-N 3.13Å; H587-R589 VanDerWaalsContact C-N 3.29Å; H587-R589 PolarHBondContact O-N 3.11Å; H587-I590 VanDerWaalsContact O-CB 3.3Å; H587-I590 WeakPolarHBondContact O-CB 3.45Å; H587-I590 WeakPolarHBondContact O-CG1 3.37Å; H587-I590 PolarHBondContact O-N 3.46Å; H587-H591 AromaticContact CE1-NE2 3.62Å; H587-H591 AromaticContact NE2-NE2 3.93Å
588	Q	58.4	Low	55.1	Low	48 Å²	48	75 Å²	75	22%	0.224	39%	0.388	C	S	.	.	H	α-helix	trans	-56.4	-41.1	176.3	-85	-171.3	-23	0	0	112.3	F584 I590 H591	F584-Q588 HydrophobicContact CD2-CG 4.47Å; F584-Q588 HydrophobicContact CE1-CG 4.36Å; F584-Q588 HydrophobicContact CE2-CG 4.05Å; F584-Q588 HydrophobicContact CZ-CG 4.01Å; F584-Q588 PolarHBondContact O-N 2.93Å; Q588-I590 PolarHBondContact O-N 3.33Å; Q588-I590 VanDerWaalsContact O-N 3.14Å; Q588-H591 PolarHBondContact O-N 2.76Å
589	R	67.4	Low	53.3	Low	92 Å²	92	77.4 Å²	77.4	35%	0.347	40%	0.402	S	S	.	.	H	α-helix	trans	-57.7	-28.4	-180	-83.5	177.2	-78.6	160.6	-6.2	114	M585 Q586 H587 H591 I592 E594 P596	M585-R589 PolarHBondContact O-NE 3.16Å; M585-R589 PolarHBondContact O-NH2 3.41Å; Q586-R589 VanDerWaalsContact CA-NH2 3.35Å; H587-R589 VanDerWaalsContact C-N 3.29Å; H587-R589 PolarHBondContact O-N 3.11Å; R589-H591 PolarHBondContact O-N 3.49Å; R589-I592 PolarHBondContact O-N 2.83Å; R589-I592 VanDerWaalsContact O-N 3.13Å; R589-E594 CarbonylContact C-O 3.58Å; R589-E594 HydrophobicContact CB-CB 4.41Å; R589-E594 PolarHBondContact O-N 3.01Å; R589-P596 HydrophobicContact CB-CB 3.93Å; R589-P596 HydrophobicContact CB-CG 3.92Å
590	I	63	Low	52.6	Low	84 Å²	84	74 Å²	74	43%	0.431	39%	0.39	S	S	.	.	H	α-helix	trans	-56	-40.9	174.1	-55.8	173.6	0	0	0	110.8	H587 Q588 I592 G593 P596	H587-I590 VanDerWaalsContact O-CB 3.3Å; H587-I590 WeakPolarHBondContact O-CB 3.45Å; H587-I590 WeakPolarHBondContact O-CG1 3.37Å; H587-I590 PolarHBondContact O-N 3.46Å; Q588-I590 PolarHBondContact O-N 3.33Å; Q588-I590 VanDerWaalsContact O-N 3.14Å; I590-I592 VanDerWaalsContact C-N 3.31Å; I590-I592 PolarHBondContact O-N 2.83Å; I590-G593 PolarHBondContact O-N 2.93Å; I590-P596 HydrophobicContact CD1-CG 4.49Å; I590-P596 HydrophobicContact CG1-CG 3.53Å
591	H	57	Low	51.1	Low	79 Å²	79	77.8 Å²	77.8	37%	0.366	41%	0.41	S	S	.	.	H	α-helix	trans	-79.1	-11.5	-176.9	-66.4	-75.5	0	0	0	113.8	V573 H587 Q588 R589	V573-H591 HydrophobicContact CB-CB 4.23Å; V573-H591 HydrophobicContact CG1-CB 4.12Å; V573-H591 VanDerWaalsContact CG1-ND1 3.32Å; V573-H591 WeakPolarHBondContact CG1-ND1 3.47Å; V573-H591 HydrophobicContact CG2-CB 4.09Å; H587-H591 AromaticContact CE1-NE2 3.62Å; H587-H591 AromaticContact NE2-NE2 3.93Å; Q588-H591 PolarHBondContact O-N 2.76Å; R589-H591 PolarHBondContact O-N 3.49Å
592	I	49.7	Very low	50.1	Low	134 Å²	134	77.2 Å²	77.2	69%	0.687	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	6.6	175.5	-45	177.1	0	0	0	110.2	R589 I590 E594	R589-I592 PolarHBondContact O-N 2.83Å; R589-I592 VanDerWaalsContact O-N 3.13Å; I590-I592 VanDerWaalsContact C-N 3.31Å; I590-I592 PolarHBondContact O-N 2.83Å; I592-E594 PolarHBondContact O-N 3.34Å
593	G	44.1	Very low	48.6	Very low	67 Å²	67	83.8 Å²	83.8	69%	0.691	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-9.2	-178	0	0	0	0	0	114.8	I590 N595	I590-G593 PolarHBondContact O-N 2.93Å; G593-N595 PolarHBondContact O-N 3.25Å
594	E	43.7	Very low	47.2	Very low	133 Å²	133	87.7 Å²	87.7	62%	0.621	47%	0.472	S	S	*	.			trans	-76.7	85.6	171.9	-71.1	-153.7	145.1	0	0	110.5	R589 I592 P596	R589-E594 CarbonylContact C-O 3.58Å; R589-E594 HydrophobicContact CB-CB 4.41Å; R589-E594 PolarHBondContact O-N 3.01Å; I592-E594 PolarHBondContact O-N 3.34Å; E594-P596 WeakPolarHBondContact O-CD 3.16Å
595	N	38.1	Very low	44.9	Very low	114 Å²	114	91.7 Å²	91.7	61%	0.61	51%	0.507	S	S	*	.			trans	-54.1	110	177.5	-175.6	-18.5	0	0	0	111	G593 Y597	G593-N595 PolarHBondContact O-N 3.25Å; N595-Y597 VanDerWaalsContact OD1-C 3.28Å; N595-Y597 PolarHBondContact OD1-N 3.06Å; N595-Y597 PolarHBondContact OD1-O 3.23Å
596	P	42.8	Very low	43.3	Very low	20 Å²	20	97.9 Å²	97.9	13%	0.13	54%	0.535	C	S	.	.			trans	-104.2	-4.3	-167.8	37.9	-27.8	0	0	0	112.7	Q586 R589 I590 E594	Q586-P596 HydrophobicContact CG-CB 3.77Å; Q586-P596 HydrophobicContact CG-CG 4.23Å; Q586-P596 PolarHBondContact NE2-O 3.42Å; Q586-P596 WeakPolarHBondContact O-CG 3.24Å; R589-P596 HydrophobicContact CB-CB 3.93Å; R589-P596 HydrophobicContact CB-CG 3.92Å; I590-P596 HydrophobicContact CD1-CG 4.49Å; I590-P596 HydrophobicContact CG1-CG 3.53Å; E594-P596 WeakPolarHBondContact O-CD 3.16Å
597	Y	37.7	Very low	42.1	Very low	118 Å²	118	101.1 Å²	101.1	46%	0.463	56%	0.561	S	S	.	*			trans	-131.3	87.2	168.6	-69.8	-75.5	0	0	0	109.7	Q586 N595	Q586-Y597 HydrophobicContact CB-CE2 3.82Å; Q586-Y597 HydrophobicContact CG-CD2 3.95Å; Q586-Y597 HydrophobicContact CG-CE1 4.28Å; Q586-Y597 HydrophobicContact CG-CE2 3.41Å; Q586-Y597 VanDerWaalsContact CG-CE2 3.41Å; Q586-Y597 PolarHBondContact OE1-OH 3.28Å; N595-Y597 VanDerWaalsContact OD1-C 3.28Å; N595-Y597 PolarHBondContact OD1-N 3.06Å; N595-Y597 PolarHBondContact OD1-O 3.23Å
598	K	27.8	Very low	40.2	Very low	106 Å²	106	104.5 Å²	104.5	46%	0.461	59%	0.593	S	S	.	*				-107.2	110.1	119.3	-64.2	-163.8	175	-165.8	0	108.7	C407 G408 K409	C407-K598 CarbonylContact O-C 3.56Å; C407-K598 WeakPolarHBondContact O-CB 3.33Å; G408-K598 WeakPolarHBondContact O-CD 3.04Å; K409-K598 VanDerWaalsContact CE-O 3.29Å; K409-K598 WeakPolarHBondContact CE-O 3.41Å; K409-K598 PolarHBondContact NZ-O 3.46Å
599	N	30.3	Very low	38.8	Very low	92 Å²	92	108.4 Å²	108.4	49%	0.492	62%	0.622	S	S	.	*			trans	-123.5	163.4	131.8	-94.9	41.2	0	0	0	107.5	C407 K409	C407-N599 VanDerWaalsContact CB-OD1 3.24Å; C407-N599 WeakPolarHBondContact CB-OD1 3.34Å; K409-N599 PolarHBondContact NZ-OD1 3.32Å
600	A	37.3	Very low	37.1	Very low	39 Å²	39	113.5 Å²	113.5	32%	0.322	65%	0.647	S	S	.	*			trans	-82.5	158.7	-175.8	0	0	0	0	0	113.5	E406	E406-A600 WeakPolarHBondContact O-CB 3.41Å; E406-A600 PolarHBondContact O-N 3.33Å
601	D	34.1	Very low	35.6	Very low	161 Å²	161	114.7 Å²	114.7	86%	0.861	66%	0.66	S	S	*	*			trans	47.8	83.9	153	-48.1	-27.6	0	0	0	117.1
602	G	35.5	Very low	34.2	Very low	78 Å²	78	117.1 Å²	117.1	80%	0.804	68%	0.682	S	S	*	*			trans	-85.3	121.3	177.2	0	0	0	0	0	114
603	L	31.1	Very low	33.3	Very low	179 Å²	179	119.4 Å²	119.4	94%	0.937	69%	0.69	S	S	*	*			trans	-135.2	160.3	153.3	-84.7	177.5	0	0	0	109.5
604	I	32.6	Very low	32.3	Very low	163 Å²	163	124.4 Å²	124.4	84%	0.836	70%	0.7	S	S	*	*			trans	-118.1	132.2	-169.5	-59.4	171	0	0	0	110.2
605	A	23.7	Very low	31.5	Very low	94 Å²	94	129.5 Å²	129.5	78%	0.777	71%	0.714	S	S	*	*			trans	-152.6	152.1	162.2	0	0	0	0	0	112.9
606	H	26.5	Very low	31	Very low	181 Å²	181	129.6 Å²	129.6	84%	0.838	72%	0.724	S	S	*	*			trans	-73.2	175.8	-161.6	-67.4	-92.2	0	0	0	117
607	P	36.2	Very low	30.7	Very low	119 Å²	119	134.1 Å²	134.1	77%	0.773	75%	0.753	S	S	*	*			trans	-110.2	-177.9	-165.5	42.4	-34.8	0	0	0	116.2
608	A	27.5	Very low	30.1	Very low	94 Å²	94	140.3 Å²	140.3	78%	0.777	78%	0.776	S	S	*	*			trans	89	153.3	174.1	0	0	0	0	0	115.8
609	P	28.1	Very low	30.3	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	79%	0.793	S	S	*	*			cis	-111.2	-173.6	6.2	41.5	-32.1	0	0	0	115.4
610	K	33.2	Very low	30.7	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	80%	0.804	S	S	*	*			trans	-116.8	158.4	173.1	-98.7	-175.3	177.3	177.5	0	111.4
611	P	29.8	Very low	30.2	Very low	109 Å²	109	151.1 Å²	151.1	71%	0.708	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.7	164.4	-168.4	32.6	-37.6	0	0	0	114.7
612	P	28.2	Very low	29.8	Very low	129 Å²	129	154 Å²	154	84%	0.838	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.2	158.5	176.6	29.7	-36.4	0	0	0	113.6
613	Q	30	Very low	29.4	Very low	182 Å²	182	152.9 Å²	152.9	85%	0.85	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-103.3	145.6	-178.8	-71.5	-79.1	5.5	0	0	111.9
614	L	24.5	Very low	29.1	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	81%	0.812	S	S	*	*			trans	-135.7	150.6	165.9	-106.5	165.9	0	0	0	111
615	R	25.7	Very low	28.9	Very low	240 Å²	240	149.5 Å²	149.5	91%	0.906	81%	0.81	S	S	*	*			trans	-84.8	154.1	-156.3	-77.5	178.4	168.2	168.2	-4.2	115.6
616	S	28.6	Very low	29.1	Very low	116 Å²	116	155.8 Å²	155.8	81%	0.811	82%	0.815	S	S	*	*			trans	-93.4	152.8	163.1	-33.4	0	0	0	0	113.1
617	P	35.4	Very low	30	Very low	115 Å²	115	153 Å²	153	75%	0.747	81%	0.813	S	S	*	*			trans	-126.7	163.9	145	36.4	-24.6	0	0	0	111.2
618	R	26.2	Very low	29.6	Very low	248 Å²	248	150.7 Å²	150.7	94%	0.936	81%	0.811	S	S	*	*			cis	-159.8	162.3	-26.2	-110.8	-175.8	179.2	-163.2	0.4	106.8
619	L	32	Very low	29.5	Very low	159 Å²	159	151.3 Å²	151.3	83%	0.832	82%	0.816	S	S	*	*			trans	-70.2	164.7	178	-89.1	171	0	0	0	113.1
620	P	38.8	Very low	29.4	Very low	110 Å²	110	149.7 Å²	149.7	71%	0.714	81%	0.813	S	S	*	*				-153.6	164.5	57.3	40.8	-18.9	0	0	0	121.4
621	F	25.8	Very low	29.3	Very low	195 Å²	195	149.7 Å²	149.7	86%	0.855	82%	0.816	S	S	*	*			trans	38.5	138.9	145.9	-76.3	-108.5	0	0	0	120.3
622	R	27	Very low	29.1	Very low	222 Å²	222	148.4 Å²	148.4	84%	0.838	82%	0.822	S	S	*	*			cis	-176.1	158.8	50	-174.1	-178.7	-176.3	-177.5	4.8	109.3
623	G	26	Very low	29.2	Very low	54 Å²	54	154.2 Å²	154.2	56%	0.557	83%	0.828	S	S	*	*			cis	127.6	88	-10.7	0	0	0	0	0	115.6
624	N	25.6	Very low	28.9	Very low	158 Å²	158	150.2 Å²	150.2	85%	0.845	83%	0.826	S	S	*	*			trans	-168.8	175.6	160.9	-108.2	21.3	0	0	0	113.6
625	S	28.2	Very low	29	Very low	113 Å²	113	149.8 Å²	149.8	79%	0.79	82%	0.824	S	S	*	*			trans	-128.4	174.5	-157.9	-54.4	0	0	0	0	116.8
626	Y	28.2	Very low	29.3	Very low	225 Å²	225	142.6 Å²	142.6	88%	0.882	82%	0.817	S	S	*	*			trans	-34	171.3	161.5	-65.4	-81.5	0	0	0	117.7
627	P	45.8	Very low	29.7	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	82%	0.82	S	S	*	*			cis	-146.6	-179.4	19.7	43.9	-24.4	0	0	0	119.5
628	G	26.7	Very low	29.3	Very low	70 Å²	70	141.9 Å²	141.9	72%	0.722	82%	0.824	S	S	*	*				111	113.4	122	0	0	0	0	0	123
629	A	25.8	Very low	29.3	Very low	107 Å²	107	139 Å²	139	88%	0.884	82%	0.821	S	S	*	*			trans	57.3	172.3	147.2	0	0	0	0	0	119.5
630	A	27	Very low	29.8	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	82%	0.816	S	S	*	*			cis	-148.2	-174.9	2	0	0	0	0	0	113.4
631	E	29.9	Very low	29.1	Very low	201 Å²	201	140 Å²	140	94%	0.939	83%	0.826	S	S	*	*			trans	-40.5	166.9	-174.6	-58.2	176.3	112.3	0	0	122.4
632	G	26.5	Very low	29	Very low	81 Å²	81	139.7 Å²	139.7	84%	0.835	83%	0.825	S	S	*	*			trans	-172.4	116.2	161.8	0	0	0	0	0	113.5
633	R	28.9	Very low	30	Very low	251 Å²	251	133.2 Å²	133.2	95%	0.947	81%	0.811	S	S	*	*			trans	-114.5	146.5	173.5	-90.7	-172.8	174.4	-170.3	0.2	110.7
634	A	25.2	Very low	30.1	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	82%	0.822	S	S	*	*			trans	-158.2	156.8	154.8	0	0	0	0	0	110.2
635	D	25.8	Very low	30	Very low	163 Å²	163	137.8 Å²	137.8	87%	0.872	82%	0.824	S	S	*	*			trans	-98.4	171.5	-165.2	-75.1	-89.3	0	0	0	115.5
636	A	31.2	Very low	29.9	Very low	90 Å²	90	135.4 Å²	135.4	74%	0.744	82%	0.817	S	S	*	*			trans	-97.9	162.1	168.2	0	0	0	0	0	111.4
637	P	37	Very low	29.9	Very low	135 Å²	135	132.7 Å²	132.7	88%	0.877	81%	0.812	S	S	*	*				-148	170.7	124.4	38.3	-24	0	0	0	114.8
638	G	27	Very low	29	Very low	81 Å²	81	134.6 Å²	134.6	84%	0.835	81%	0.81	S	S	*	*			trans	119.2	95.1	147.2	0	0	0	0	0	118.8
639	Q	26.6	Very low	28.9	Very low	187 Å²	187	134 Å²	134	87%	0.874	80%	0.804	S	S	*	*			trans	-126.4	170.9	150.4	-92.8	-166	-11.3	0	0	107.3
640	P	43.4	Very low	28.8	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	81%	0.805	S	S	*	*			cis	-127.8	-175.6	-18.5	37.2	-20.9	0	0	0	112.4
641	L	23.1	Very low	28.8	Very low	177 Å²	177	138.6 Å²	138.6	93%	0.927	80%	0.799	S	S	*	*			trans	-165.1	174.1	142	-109	166.9	0	0	0	111.7
642	K	24.3	Very low	28.8	Very low	189 Å²	189	138.8 Å²	138.8	82%	0.822	80%	0.8	S	S	*	*			trans	-144.3	-173.3	-163.7	-140.3	-168	176.5	-171.7	0	112.6
643	P	46.9	Very low	28.8	Very low	86 Å²	86	146.5 Å²	146.5	56%	0.558	80%	0.804	S	S	*	*				-93.1	-177.2	-124	44.1	-30.2	0	0	0	115.3	E645	P643-E645 HydrophobicContact CG-CG 4.43Å
644	P	29.1	Very low	28.8	Very low	121 Å²	121	146.4 Å²	146.4	79%	0.786	80%	0.804	S	S	*	*				-122.1	157.3	103.9	36.2	-33.3	0	0	0	111.8
645	E	24.2	Very low	28.8	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	80%	0.797	S	S	*	*			cis	88.6	138.1	32.9	-65.1	-165.7	153.6	0	0	115.6	P643	P643-E645 HydrophobicContact CG-CG 4.43Å
646	G	26.3	Very low	29.3	Very low	62 Å²	62	145.3 Å²	145.3	64%	0.639	80%	0.798	S	S	*	*			trans	108.7	80.9	-162.4	0	0	0	0	0	111.8
647	Q	27.9	Very low	29.3	Very low	168 Å²	168	148.9 Å²	148.9	79%	0.785	80%	0.804	S	S	*	*				65.5	140.1	90.4	-65.9	-175.1	-68.1	0	0	114.3
648	E	25.3	Very low	29.1	Very low	164 Å²	164	148 Å²	148	77%	0.766	80%	0.801	S	S	*	*			cis	-165.1	155.4	-11.3	-113.7	164.1	-144	0	0	106.2
649	G	25.6	Very low	29.8	Very low	58 Å²	58	148.1 Å²	148.1	60%	0.598	79%	0.789	S	S	*	*			cis	177.3	178.6	-3.4	0	0	0	0	0	110.4
650	F	24.6	Very low	30.7	Very low	203 Å²	203	146.9 Å²	146.9	89%	0.89	78%	0.781	S	S	*	*			trans	62.8	151.9	169.7	-70	-102.3	0	0	0	119.4
651	S	25.2	Very low	31.3	Very low	95 Å²	95	145.3 Å²	145.3	66%	0.664	77%	0.769	S	S	*	*			cis	-178.9	121.9	-38.3	-107.3	0	0	0	0	109.4
652	Q	30.4	Very low	33.2	Very low	205 Å²	205	140.9 Å²	140.9	96%	0.958	74%	0.741	S	S	*	*			trans	-166.2	146.1	136.6	-110	164.7	36.3	0	0	114.2
653	R	26.6	Very low	34.9	Very low	242 Å²	242	137 Å²	137	91%	0.913	73%	0.728	S	S	*	*			trans	-91	115	-166	178.5	-171.5	-66.3	-145.2	-0.5	111.2	G655	R653-G655 PolarHBondContact O-N 3.34Å
654	R	28.1	Very low	36.1	Very low	250 Å²	250	133 Å²	133	94%	0.943	70%	0.702	S	S	*	*			trans	-84.6	112	169.1	-143.3	179	-159.3	-163.1	6.6	109.9
655	G	26.9	Very low	37.3	Very low	65 Å²	65	131.5 Å²	131.5	67%	0.67	69%	0.694	S	S	*	*			trans	-70.3	142.4	-178.1	0	0	0	0	0	113.4	R653	R653-G655 PolarHBondContact O-N 3.34Å
656	L	36.5	Very low	39	Very low	174 Å²	174	128.7 Å²	128.7	91%	0.911	68%	0.681	S	S	*	*			trans	-76.4	125.4	171.9	-75.6	162.7	0	0	0	110.5
657	L	29.5	Very low	41.3	Very low	165 Å²	165	128.5 Å²	128.5	86%	0.864	67%	0.67	S	S	*	*			trans	-120.9	101.9	158.4	-79.1	173.3	0	0	0	108.3	S659	L657-S659 PolarHBondContact O-N 3.4Å
658	S	34.2	Very low	42.8	Very low	115 Å²	115	123 Å²	123	80%	0.804	66%	0.658	S	S	*	*			trans	-78.9	97.6	175.6	-173.9	0	0	0	0	109.6	K660	S658-K660 PolarHBondContact O-N 2.89Å
659	S	41.8	Very low	44.9	Very low	85 Å²	85	120.2 Å²	120.2	59%	0.594	65%	0.645	S	S	*	*			trans	-66	97.1	176.4	-56.5	0	0	0	0	110.5	L657 T661	L657-S659 PolarHBondContact O-N 3.4Å; S659-T661 PolarHBondContact O-N 3.22Å
660	K	44.7	Very low	46.9	Very low	160 Å²	160	121.3 Å²	121.3	70%	0.696	64%	0.643	S	S	*	*			trans	-60.1	107.2	172.5	-76.3	-175.2	173.5	177	0	109.7	S658 Y662	S658-K660 PolarHBondContact O-N 2.89Å; K660-Y662 WeakPolarHBondContact O-CD2 3.39Å; K660-Y662 WeakPolarHBondContact O-CE2 3.34Å
661	T	56.8	Low	49.1	Very low	80 Å²	80	113.1 Å²	113.1	49%	0.491	61%	0.607	S	S	.	*			trans	-79.7	130.1	171.5	42	0	0	0	0	110.2	S659 F671 L672	S659-T661 PolarHBondContact O-N 3.22Å; T661-F671 WeakPolarHBondContact CA-O 3.47Å; T661-L672 HydrophobicContact CG2-CD2 3.87Å
662	Y	62.9	Low	51.5	Low	84 Å²	84	115 Å²	115	33%	0.329	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	127.4	176.2	-57	-87.7	0	0	0	108.7	K660 F671 R674	K660-Y662 WeakPolarHBondContact O-CD2 3.39Å; K660-Y662 WeakPolarHBondContact O-CE2 3.34Å; Y662-F671 PolarHBondContact N-O 3.36Å; Y662-F671 PolarHBondContact O-N 3.41Å; Y662-R674 HydrophobicContact CD1-CB 4.32Å; Y662-R674 HydrophobicContact CD1-CG 4.26Å; Y662-R674 HydrophobicContact CD2-CB 4.06Å; Y662-R674 HydrophobicContact CE1-CB 4.25Å; Y662-R674 HydrophobicContact CE1-CG 4.31Å; Y662-R674 HydrophobicContact CE2-CB 3.99Å; Y662-R674 HydrophobicContact CG-CB 4.23Å
663	I	59.2	Low	53.4	Low	106 Å²	106	109 Å²	109	54%	0.544	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.6	134.2	-174.4	-57	178.9	0	0	0	109.6	S665 E669	I663-S665 PolarHBondContact O-N 3.44Å; I663-E669 WeakPolarHBondContact CA-O 3.37Å
664	C	71.4	Confident	55.2	Low	3 Å²	3	105.2 Å²	105.2	2%	0.02	57%	0.57	C	S	.	*			trans	-72.4	126.2	176.5	-179.2	0	0	0	0	111.9	H666 C667 G668 E669 F671 L677 H680	C664-H666 VanDerWaalsContact C-N 3.25Å; C664-H666 PolarHBondContact O-N 3.23Å; C664-H666 PolarHBondContact SG-N 3.3Å; C664-H666 VanDerWaalsContact SG-N 3.45Å; C664-C667 WeakPolarHBondContact CB-SG 3.22Å; C664-C667 VanDerWaalsContact SG-SG 3.6Å; C664-G668 WeakPolarHBondContact O-CA 3.42Å; C664-G668 PolarHBondContact O-N 3.23Å; C664-E669 PolarHBondContact N-O 3.37Å; C664-F671 HydrophobicContact CB-CE2 3.97Å; C664-L677 VanDerWaalsContact CA-CD1 3.46Å; C664-L677 HydrophobicContact CB-CD1 3.47Å; C664-L677 VanDerWaalsContact CB-CD1 3.47Å; C664-H680 VanDerWaalsContact SG-CD2 3.59Å
665	S	55.8	Low	56.9	Low	89 Å²	89	96.9 Å²	96.9	62%	0.622	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.3	176.3	44.7	0	0	0	0	114.4	I663 Q681	I663-S665 PolarHBondContact O-N 3.44Å; S665-Q681 PolarHBondContact OG-NE2 3.05Å
666	H	59.5	Low	58.9	Low	129 Å²	129	97.4 Å²	97.4	60%	0.597	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-26.5	-173.2	-62	-83.2	0	0	0	114.1	C664 H684	C664-H666 VanDerWaalsContact C-N 3.25Å; C664-H666 PolarHBondContact O-N 3.23Å; C664-H666 PolarHBondContact SG-N 3.3Å; C664-H666 VanDerWaalsContact SG-N 3.45Å; H666-H684 HydrophobicContact CB-CB 4.18Å
667	C	75.1	Confident	60.7	Low	59 Å²	59	89.7 Å²	89.7	40%	0.399	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-12.8	-174.5	69.7	0	0	0	0	115.2	C664 E669 H680	C664-C667 WeakPolarHBondContact CB-SG 3.22Å; C664-C667 VanDerWaalsContact SG-SG 3.6Å; C667-E669 VanDerWaalsContact C-N 3.27Å; C667-E669 PolarHBondContact O-N 2.93Å; C667-E669 PolarHBondContact SG-N 3.13Å; C667-E669 VanDerWaalsContact SG-N 3.4Å; C667-H680 PolarHBondContact SG-NE2 2.79Å
668	G	58.8	Low	62.2	Low	52 Å²	52	86.3 Å²	86.3	54%	0.536	48%	0.482	S	S	.	.			trans	75	3.5	-177	0	0	0	0	0	116	C664	C664-G668 WeakPolarHBondContact O-CA 3.42Å; C664-G668 PolarHBondContact O-N 3.23Å
669	E	70.1	Confident	63.7	Low	105 Å²	105	87 Å²	87	49%	0.491	47%	0.472	S	S	.	.			trans	-67.6	142.5	174	-67.6	-167.7	141	0	0	111.4	I663 C664 C667 F671 H680	I663-E669 WeakPolarHBondContact CA-O 3.37Å; C664-E669 PolarHBondContact N-O 3.37Å; C667-E669 VanDerWaalsContact C-N 3.27Å; C667-E669 PolarHBondContact O-N 2.93Å; C667-E669 PolarHBondContact SG-N 3.13Å; C667-E669 VanDerWaalsContact SG-N 3.4Å; E669-F671 HydrophobicContact CB-CE2 3.66Å; E669-F671 HydrophobicContact CB-CZ 3.78Å; E669-F671 WeakPolarHBondContact O-CD2 3.24Å; E669-F671 WeakPolarHBondContact O-CE2 3.43Å; E669-H680 IonicContact OE2-CE1 3.56Å; E669-H680 PolarHBondContact OE2-CE1 3.37Å; E669-H680 VanDerWaalsContact OE2-CE1 3.23Å; E669-H680 IonicContact OE2-ND1 2.71Å; E669-H680 IonicContact OE2-NE2 3.69Å
670	S	66	Low	65	Low	82 Å²	82	84.8 Å²	84.8	57%	0.573	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.5	-178.9	55.5	0	0	0	0	112
671	F	70.8	Confident	65.8	Low	31 Å²	31	80.1 Å²	80.1	14%	0.136	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140	-176.1	-59.8	-87.9	0	0	0	109.9	T661 Y662 C664 E669 D673 V676 L677 H680	T661-F671 WeakPolarHBondContact CA-O 3.47Å; Y662-F671 PolarHBondContact N-O 3.36Å; Y662-F671 PolarHBondContact O-N 3.41Å; C664-F671 HydrophobicContact CB-CE2 3.97Å; E669-F671 HydrophobicContact CB-CE2 3.66Å; E669-F671 HydrophobicContact CB-CZ 3.78Å; E669-F671 WeakPolarHBondContact O-CD2 3.24Å; E669-F671 WeakPolarHBondContact O-CE2 3.43Å; F671-D673 VanDerWaalsContact C-N 3.3Å; F671-V676 HydrophobicContact CD1-CG1 3.79Å; F671-V676 HydrophobicContact CE1-CG1 4.26Å; F671-L677 HydrophobicContact CB-CB 4.18Å; F671-L677 HydrophobicContact CD2-CB 4.13Å; F671-L677 HydrophobicContact CD2-CD1 3.84Å; F671-L677 HydrophobicContact CE2-CD1 4.11Å; F671-L677 HydrophobicContact CG-CB 4.23Å; F671-H680 HydrophobicContact CE1-CB 4.33Å; F671-H680 HydrophobicContact CZ-CB 4.03Å; F671-H680 AromaticContact CZ-CD2 3.92Å; F671-H680 AromaticContact CZ-CE1 3.8Å; F671-H680 AromaticContact CZ-CG 3.58Å; F671-H680 AromaticContact CZ-ND1 3.52Å
672	L	76.8	Confident	66	Low	133 Å²	133	82.3 Å²	82.3	70%	0.696	44%	0.441	S	S	*	.	S	Bend	trans	-81.3	-13.8	174.9	-70.5	164.9	0	0	0	112.6	T661	T661-L672 HydrophobicContact CG2-CD2 3.87Å
673	D	69.9	Low	66.1	Low	81 Å²	81	83.3 Å²	83.3	43%	0.433	46%	0.456	S	S	.	.			trans	-127.4	132.9	-177.9	-168.4	-59.8	0	0	0	110.7	F671 S675 V676 L677	F671-D673 VanDerWaalsContact C-N 3.3Å; D673-S675 WeakPolarHBondContact OD1-CA 3.47Å; D673-S675 VanDerWaalsContact OD1-CB 3.31Å; D673-S675 WeakPolarHBondContact OD1-CB 3.25Å; D673-S675 PolarHBondContact OD1-N 2.81Å; D673-S675 PolarHBondContact OD1-OG 2.8Å; D673-V676 HydrophobicContact CB-CB 4.25Å; D673-V676 HydrophobicContact CB-CG2 3.92Å; D673-V676 PolarHBondContact O-N 2.78Å; D673-V676 PolarHBondContact OD1-N 3.23Å; D673-L677 PolarHBondContact O-N 2.83Å; D673-L677 VanDerWaalsContact O-N 3.13Å
674	R	64.6	Low	66.3	Low	162 Å²	162	82.2 Å²	82.2	61%	0.611	45%	0.448	S	S	*	.	H	α-helix	trans	-74	-27.8	-177.3	-171.1	175.7	177.9	179.9	-1.2	113.1	Y662 L678	Y662-R674 HydrophobicContact CD1-CB 4.32Å; Y662-R674 HydrophobicContact CD1-CG 4.26Å; Y662-R674 HydrophobicContact CD2-CB 4.06Å; Y662-R674 HydrophobicContact CE1-CB 4.25Å; Y662-R674 HydrophobicContact CE1-CG 4.31Å; Y662-R674 HydrophobicContact CE2-CB 3.99Å; Y662-R674 HydrophobicContact CG-CB 4.23Å; R674-L678 PolarHBondContact O-N 3.47Å
675	S	63.6	Low	65	Low	74 Å²	74	85 Å²	85	52%	0.517	48%	0.477	S	S	.	.	H	α-helix	trans	-70.8	-38.9	174.3	70.7	0	0	0	0	111.3	D673 L678 Q679	D673-S675 WeakPolarHBondContact OD1-CA 3.47Å; D673-S675 VanDerWaalsContact OD1-CB 3.31Å; D673-S675 WeakPolarHBondContact OD1-CB 3.25Å; D673-S675 PolarHBondContact OD1-N 2.81Å; D673-S675 PolarHBondContact OD1-OG 2.8Å; S675-L678 PolarHBondContact O-N 2.96Å; S675-Q679 WeakPolarHBondContact O-CB 3.13Å; S675-Q679 PolarHBondContact O-N 2.85Å
676	V	70.1	Confident	63.9	Low	76 Å²	76	88.7 Å²	88.7	46%	0.461	49%	0.49	S	S	.	.	H	α-helix	trans	-66.7	-39.4	173.7	-178.6	0	0	0	0	110.8	F671 D673 Q679 H680	F671-V676 HydrophobicContact CD1-CG1 3.79Å; F671-V676 HydrophobicContact CE1-CG1 4.26Å; D673-V676 HydrophobicContact CB-CB 4.25Å; D673-V676 HydrophobicContact CB-CG2 3.92Å; D673-V676 PolarHBondContact O-N 2.78Å; D673-V676 PolarHBondContact OD1-N 3.23Å; V676-Q679 PolarHBondContact O-N 3.03Å; V676-H680 VanDerWaalsContact O-CB 3.29Å; V676-H680 WeakPolarHBondContact O-CB 3.46Å; V676-H680 PolarHBondContact O-N 2.99Å
677	L	73.2	Confident	62.7	Low	13 Å²	13	91.4 Å²	91.4	7%	0.068	50%	0.503	C	S	.	.	H	α-helix	trans	-60.1	-47.3	170.8	170.3	60	0	0	0	111.9	C664 F671 D673 Q679 H680 Q681	C664-L677 VanDerWaalsContact CA-CD1 3.46Å; C664-L677 HydrophobicContact CB-CD1 3.47Å; C664-L677 VanDerWaalsContact CB-CD1 3.47Å; F671-L677 HydrophobicContact CB-CB 4.18Å; F671-L677 HydrophobicContact CD2-CB 4.13Å; F671-L677 HydrophobicContact CD2-CD1 3.84Å; F671-L677 HydrophobicContact CE2-CD1 4.11Å; F671-L677 HydrophobicContact CG-CB 4.23Å; D673-L677 PolarHBondContact O-N 2.83Å; D673-L677 VanDerWaalsContact O-N 3.13Å; L677-Q679 PolarHBondContact O-N 2.88Å; L677-H680 CarbonylContact O-C 3.49Å; L677-H680 WeakPolarHBondContact O-CB 3.35Å; L677-H680 PolarHBondContact O-N 2.89Å; L677-Q681 HydrophobicContact CD1-CG 3.83Å; L677-Q681 HydrophobicContact CG-CG 4.36Å; L677-Q681 WeakPolarHBondContact O-CG 3.4Å; L677-Q681 PolarHBondContact O-N 3.48Å
678	L	61.1	Low	60.5	Low	94 Å²	94	98 Å²	98	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-44.8	178.3	-85.2	159.3	0	0	0	111.8	R674 S675 H680 Q681 L682	R674-L678 PolarHBondContact O-N 3.47Å; S675-L678 PolarHBondContact O-N 2.96Å; L678-H680 VanDerWaalsContact C-N 3.28Å; L678-H680 PolarHBondContact O-N 3.15Å; L678-Q681 PolarHBondContact O-N 3.21Å; L678-L682 WeakPolarHBondContact O-CG 3.36Å; L678-L682 PolarHBondContact O-N 3.46Å
679	Q	65	Low	59.2	Low	130 Å²	130	100.9 Å²	100.9	61%	0.607	53%	0.534	S	S	*	.	H	α-helix	trans	-61.9	-37	175.6	-166.9	65.9	27.2	0	0	111.9	S675 V676 L677	S675-Q679 WeakPolarHBondContact O-CB 3.13Å; S675-Q679 PolarHBondContact O-N 2.85Å; V676-Q679 PolarHBondContact O-N 3.03Å; L677-Q679 PolarHBondContact O-N 2.88Å
680	H	70.1	Confident	57	Low	38 Å²	38	105.9 Å²	105.9	18%	0.176	56%	0.555	C	S	.	*	H	α-helix	trans	-69.1	-42.6	173.6	177.6	100.7	0	0	0	111.5	C664 C667 E669 F671 V676 L677 L678 L682 T683 H684	C664-H680 VanDerWaalsContact SG-CD2 3.59Å; C667-H680 PolarHBondContact SG-NE2 2.79Å; E669-H680 IonicContact OE2-CE1 3.56Å; E669-H680 PolarHBondContact OE2-CE1 3.37Å; E669-H680 VanDerWaalsContact OE2-CE1 3.23Å; E669-H680 IonicContact OE2-ND1 2.71Å; E669-H680 IonicContact OE2-NE2 3.69Å; F671-H680 HydrophobicContact CE1-CB 4.33Å; F671-H680 HydrophobicContact CZ-CB 4.03Å; F671-H680 AromaticContact CZ-CD2 3.92Å; F671-H680 AromaticContact CZ-CE1 3.8Å; F671-H680 AromaticContact CZ-CG 3.58Å; F671-H680 AromaticContact CZ-ND1 3.52Å; V676-H680 VanDerWaalsContact O-CB 3.29Å; V676-H680 WeakPolarHBondContact O-CB 3.46Å; V676-H680 PolarHBondContact O-N 2.99Å; L677-H680 CarbonylContact O-C 3.49Å; L677-H680 WeakPolarHBondContact O-CB 3.35Å; L677-H680 PolarHBondContact O-N 2.89Å; L678-H680 VanDerWaalsContact C-N 3.28Å; L678-H680 PolarHBondContact O-N 3.15Å; H680-L682 VanDerWaalsContact C-N 3.28Å; H680-L682 PolarHBondContact O-N 3.26Å; H680-T683 WeakPolarHBondContact O-CB 3.33Å; H680-T683 PolarHBondContact O-N 3.17Å; H680-T683 PolarHBondContact O-OG1 3.15Å; H680-H684 AromaticContact CD2-CD2 3.84Å; H680-H684 AromaticContact CD2-NE2 3.38Å; H680-H684 PolarHBondContact CD2-NE2 3.08Å; H680-H684 AromaticContact CE1-NE2 3.8Å; H680-H684 AromaticContact NE2-CD2 3.87Å; H680-H684 AromaticContact NE2-CE1 3.93Å; H680-H684 AromaticContact NE2-NE2 2.94Å; H680-H684 PolarHBondContact NE2-NE2 3.34Å; H680-H684 PolarHBondContact O-CD2 3.17Å; H680-H684 VanDerWaalsContact O-CD2 3.25Å
681	Q	60.8	Low	55.4	Low	61 Å²	61	109 Å²	109	29%	0.285	56%	0.564	S	S	.	*	H	α-helix	trans	-59.7	-36.8	176	-76.9	175.8	-53.5	0	0	112.3	S665 L677 L678 T683 H684	S665-Q681 PolarHBondContact OG-NE2 3.05Å; L677-Q681 HydrophobicContact CD1-CG 3.83Å; L677-Q681 HydrophobicContact CG-CG 4.36Å; L677-Q681 WeakPolarHBondContact O-CG 3.4Å; L677-Q681 PolarHBondContact O-N 3.48Å; L678-Q681 PolarHBondContact O-N 3.21Å; Q681-T683 PolarHBondContact O-N 3.25Å; Q681-T683 VanDerWaalsContact O-N 3.16Å; Q681-H684 PolarHBondContact O-N 3.17Å; Q681-H684 VanDerWaalsContact O-N 3.09Å
682	L	61.8	Low	53.1	Low	127 Å²	127	117.4 Å²	117.4	67%	0.665	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-12	172.5	-69.2	171	0	0	0	114.1	L678 H680	L678-L682 WeakPolarHBondContact O-CG 3.36Å; L678-L682 PolarHBondContact O-N 3.46Å; H680-L682 VanDerWaalsContact C-N 3.28Å; H680-L682 PolarHBondContact O-N 3.26Å
683	T	63.6	Low	50.9	Low	105 Å²	105	116 Å²	116	64%	0.644	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-8	172.6	69	0	0	0	0	114	H680 Q681	H680-T683 WeakPolarHBondContact O-CB 3.33Å; H680-T683 PolarHBondContact O-N 3.17Å; H680-T683 PolarHBondContact O-OG1 3.15Å; Q681-T683 PolarHBondContact O-N 3.25Å; Q681-T683 VanDerWaalsContact O-N 3.16Å
684	H	63.6	Low	48.8	Very low	83 Å²	83	120.2 Å²	120.2	38%	0.384	62%	0.623	S	S	.	*	S	Bend	trans	-93.2	3.6	-176.5	-72.1	-81.2	0	0	0	115	H666 H680 Q681	H666-H684 HydrophobicContact CB-CB 4.18Å; H680-H684 AromaticContact CD2-CD2 3.84Å; H680-H684 AromaticContact CD2-NE2 3.38Å; H680-H684 PolarHBondContact CD2-NE2 3.08Å; H680-H684 AromaticContact CE1-NE2 3.8Å; H680-H684 AromaticContact NE2-CD2 3.87Å; H680-H684 AromaticContact NE2-CE1 3.93Å; H680-H684 AromaticContact NE2-NE2 2.94Å; H680-H684 PolarHBondContact NE2-NE2 3.34Å; H680-H684 PolarHBondContact O-CD2 3.17Å; H680-H684 VanDerWaalsContact O-CD2 3.25Å; Q681-H684 PolarHBondContact O-N 3.17Å; Q681-H684 VanDerWaalsContact O-N 3.09Å
685	G	44.7	Very low	46.9	Very low	61 Å²	61	123 Å²	123	63%	0.629	64%	0.635	S	S	*	*			trans	-157	130.2	-178.6	0	0	0	0	0	114.9
686	N	32.9	Very low	45.3	Very low	167 Å²	167	130 Å²	130	89%	0.893	65%	0.65	S	S	*	*			trans	-136.6	56.1	163.5	-170.2	22.7	0	0	0	110.2
687	E	33.9	Very low	43.3	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	67%	0.671	S	S	*	*	S	Bend	trans	-124.4	154.1	162.9	-67.4	-158	158.5	0	0	109.4
688	K	28.3	Very low	41.1	Very low	196 Å²	196	136.9 Å²	136.9	85%	0.852	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-69.5	128.6	-166.3	-71.5	178.8	177.6	177	0	112.5	F690	K688-F690 PolarHBondContact O-N 2.91Å
689	P	31.6	Very low	39.7	Very low	113 Å²	113	141.4 Å²	141.4	73%	0.734	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-66.1	126.3	163.7	-17.6	31.5	0	0	0	110.7
690	F	23.6	Very low	37.8	Very low	211 Å²	211	138.5 Å²	138.5	93%	0.925	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-73.8	139.9	154.7	-93.1	-101.8	0	0	0	108.8	K688	K688-F690 PolarHBondContact O-N 2.91Å
691	L	32.6	Very low	35.9	Very low	146 Å²	146	146.5 Å²	146.5	76%	0.764	76%	0.762	S	S	*	*			trans	-118	132.3	174.8	-68.4	173.4	0	0	0	109.3
692	F	22.8	Very low	34.3	Very low	208 Å²	208	147 Å²	147	91%	0.912	78%	0.784	S	S	*	*			trans	-167.2	162.7	148.3	-98.6	-48.2	0	0	0	109.4
693	P	31.7	Very low	32.6	Very low	105 Å²	105	146.4 Å²	146.4	68%	0.682	80%	0.797	S	S	*	*				-123.5	154.7	-117.2	40.3	-27.7	0	0	0	115.7
694	D	24.4	Very low	30.8	Very low	169 Å²	169	144.8 Å²	144.8	90%	0.904	80%	0.801	S	S	*	*			trans	-79.5	141.2	164	-76.2	-51.7	0	0	0	111.9
695	Y	25.7	Very low	29.4	Very low	221 Å²	221	146.8 Å²	146.8	87%	0.867	82%	0.822	S	S	*	*			trans	-105.1	165.4	174.3	-141.4	-107.2	0	0	0	111.5
696	R	29.6	Very low	28.6	Very low	219 Å²	219	149.4 Å²	149.4	83%	0.826	83%	0.83	S	S	*	*			trans	-64.3	157.6	-169.7	-62.7	176.9	175.4	177.4	-2.4	113
697	I	28.4	Very low	28.7	Very low	177 Å²	177	146.5 Å²	146.5	91%	0.908	82%	0.82	S	S	*	*				-168.4	147.8	81.8	-77	143.9	0	0	0	107.8
698	G	26.7	Very low	28.6	Very low	58 Å²	58	147 Å²	147	60%	0.598	82%	0.82	S	S	*	*			cis	167.3	177.3	-2.5	0	0	0	0	0	111.4
699	L	31	Very low	28.9	Very low	188 Å²	188	146.2 Å²	146.2	98%	0.984	82%	0.824	S	S	*	*			trans	68.9	127.5	-176.6	-55.5	168.4	0	0	0	115.5
700	G	26.6	Very low	29.6	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	83%	0.831	S	S	*	*			cis	-165	163.7	-4.3	0	0	0	0	0	113.5
701	E	29.2	Very low	30.5	Very low	206 Å²	206	139.6 Å²	139.6	96%	0.963	82%	0.816	S	S	*	*			trans	24.2	128.5	158.6	-54.2	-177.5	139.6	0	0	120.5
702	G	27.3	Very low	31.7	Very low	72 Å²	72	138.6 Å²	138.6	74%	0.742	81%	0.806	S	S	*	*			cis	178.4	-171.4	1.6	0	0	0	0	0	113.3
703	A	27.3	Very low	33.2	Very low	114 Å²	114	133.3 Å²	133.3	94%	0.942	79%	0.792	S	S	*	*			trans	64.6	139.3	-179.5	0	0	0	0	0	118
704	G	25.8	Very low	34.4	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	78%	0.777	S	S	*	*			trans	-147.1	-159.9	167.9	0	0	0	0	0	108.8
705	P	33.7	Very low	36.6	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	76%	0.762	S	S	*	*			cis	-110.6	-179.9	-7	40.4	-30.1	0	0	0	112.6
706	S	27.3	Very low	38.7	Very low	115 Å²	115	120.2 Å²	120.2	80%	0.804	72%	0.721	S	S	*	*			trans	-86.5	145	174.6	179	0	0	0	0	112.8
707	P	34.2	Very low	40.2	Very low	106 Å²	106	114.4 Å²	114.4	69%	0.688	71%	0.712	S	S	*	*			trans	-120.6	138.7	147.7	35.6	-26.7	0	0	0	113.1
708	F	32	Very low	42.1	Very low	197 Å²	197	112.2 Å²	112.2	86%	0.864	70%	0.698	S	S	*	*			trans	7.9	115.2	157	-76.7	-100.2	0	0	0	119.5	S710	F708-S710 PolarHBondContact O-N 3.24Å
709	L	35.9	Very low	44.6	Very low	179 Å²	179	112 Å²	112	94%	0.937	69%	0.687	S	S	*	*			trans	-92.6	87.1	159.1	-76.7	178.3	0	0	0	111.9	G711	L709-G711 VanDerWaalsContact C-N 3.31Å; L709-G711 PolarHBondContact O-N 2.86Å; L709-G711 VanDerWaalsContact O-N 3.1Å
710	S	45.3	Very low	46.4	Very low	125 Å²	125	111.2 Å²	111.2	87%	0.874	68%	0.676	S	S	*	*			trans	-78	76.6	163.9	48.1	0	0	0	0	111	F708	F708-S710 PolarHBondContact O-N 3.24Å
711	G	43.7	Very low	48.6	Very low	60 Å²	60	113 Å²	113	62%	0.619	67%	0.665	S	S	*	*			trans	-118.8	116.1	-176	0	0	0	0	0	114.3	L709 P713	L709-G711 VanDerWaalsContact C-N 3.31Å; L709-G711 PolarHBondContact O-N 2.86Å; L709-G711 VanDerWaalsContact O-N 3.1Å; G711-P713 WeakPolarHBondContact O-CD 3.38Å
712	K	57.1	Low	50.5	Low	126 Å²	126	105.4 Å²	105.4	55%	0.548	64%	0.635	S	S	.	*			trans	-68.3	117.8	166.6	-76.7	-172.1	177.2	-170	0	109.5
713	P	53.9	Low	52.6	Low	97 Å²	97	103.2 Å²	103.2	63%	0.63	61%	0.605	S	S	*	*			trans	-81.6	-19.3	-162.3	30	-35.1	0	0	0	115.1	G711	G711-P713 WeakPolarHBondContact O-CD 3.38Å
714	F	56.8	Low	53.9	Low	80 Å²	80	99.1 Å²	99.1	35%	0.351	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	133.1	-178.2	-56.3	-72.8	0	0	0	110.7	S722 F723 L729	F714-S722 CarbonylContact O-C 3.54Å; F714-S722 WeakPolarHBondContact O-CA 3.31Å; F714-F723 HydrophobicContact CB-CB 4.44Å; F714-F723 PolarHBondContact N-O 3.19Å; F714-F723 PolarHBondContact O-N 3.06Å; F714-L729 HydrophobicContact CB-CD2 4.08Å
715	K	71.2	Confident	55.9	Low	138 Å²	138	100.8 Å²	100.8	60%	0.6	57%	0.565	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127	138.9	174.3	-71.4	-176.3	-179.9	179.2	0	110.9	Q721 S722	K715-Q721 WeakPolarHBondContact CA-O 3.24Å; K715-S722 VanDerWaalsContact CE-OG 3.25Å; K715-S722 WeakPolarHBondContact CE-OG 3.28Å
716	C	69.4	Low	57	Low	1 Å²	1	97.8 Å²	97.8	1%	0.007	55%	0.547	C	S	.	.			trans	-74.4	127.2	172.2	-177.6	0	0	0	0	109.8	E718 C719 K720 Q721 F723 L729	C716-E718 VanDerWaalsContact C-N 3.29Å; C716-E718 PolarHBondContact O-N 2.87Å; C716-C719 WeakPolarHBondContact CB-SG 3.41Å; C716-K720 WeakPolarHBondContact O-CA 3.5Å; C716-K720 PolarHBondContact O-N 2.79Å; C716-Q721 PolarHBondContact N-O 3.39Å; C716-F723 HydrophobicContact CB-CE2 4.13Å; C716-L729 HydrophobicContact CB-CD1 3.53Å
717	P	62.2	Low	58.6	Low	98 Å²	98	95.8 Å²	95.8	64%	0.636	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.3	-176.4	26	-34.1	0	0	0	113.5
718	E	67.7	Low	60.4	Low	131 Å²	131	94.5 Å²	94.5	61%	0.612	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-40.9	-175.4	-66.3	-175.3	-131.5	0	0	113.3	C716 H736	C716-E718 VanDerWaalsContact C-N 3.29Å; C716-E718 PolarHBondContact O-N 2.87Å; E718-H736 IonicContact OE2-CE1 3.33Å; E718-H736 IonicContact OE2-CG 2.7Å; E718-H736 IonicContact OE2-ND1 3.12Å; E718-H736 PolarHBondContact OE2-ND1 2.86Å
719	C	78.1	Confident	62.4	Low	54 Å²	54	86.2 Å²	86.2	37%	0.365	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-4.3	-177.6	70.3	0	0	0	0	114.3	C716 Q721 H732	C716-C719 WeakPolarHBondContact CB-SG 3.41Å; C719-Q721 PolarHBondContact O-N 2.89Å; C719-Q721 VanDerWaalsContact SG-CB 3.53Å; C719-H732 PolarHBondContact SG-NE2 3Å
720	K	70.6	Confident	64	Low	171 Å²	171	82.6 Å²	82.6	74%	0.743	46%	0.464	S	S	*	.			trans	60	4.6	-176.4	-58.4	-179.3	-179.2	176.6	0	116.1	C716	C716-K720 WeakPolarHBondContact O-CA 3.5Å; C716-K720 PolarHBondContact O-N 2.79Å
721	Q	71.5	Confident	65	Low	106 Å²	106	82.6 Å²	82.6	50%	0.495	45%	0.453	S	S	.	.			trans	-65.1	144.1	178.4	-159.3	170.7	37.5	0	0	111.6	K715 C716 C719 F723 H732	K715-Q721 WeakPolarHBondContact CA-O 3.24Å; C716-Q721 PolarHBondContact N-O 3.39Å; C719-Q721 PolarHBondContact O-N 2.89Å; C719-Q721 VanDerWaalsContact SG-CB 3.53Å; Q721-F723 HydrophobicContact CB-CE2 3.99Å; Q721-F723 HydrophobicContact CB-CZ 4.09Å; Q721-F723 HydrophobicContact CG-CE2 4.31Å; Q721-F723 HydrophobicContact CG-CZ 4.01Å; Q721-F723 WeakPolarHBondContact O-CE2 3.48Å; Q721-H732 PolarHBondContact OE1-CE1 3.07Å
722	S	68.6	Low	66.5	Low	47 Å²	47	81.8 Å²	81.8	33%	0.329	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.3	-169	-44.4	0	0	0	0	112.8	F714 K715	F714-S722 CarbonylContact O-C 3.54Å; F714-S722 WeakPolarHBondContact O-CA 3.31Å; K715-S722 VanDerWaalsContact CE-OG 3.25Å; K715-S722 WeakPolarHBondContact CE-OG 3.28Å
723	F	72.9	Confident	66.9	Low	27 Å²	27	78.9 Å²	78.9	12%	0.118	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.2	-173	-61.8	-78.7	0	0	0	111	F714 C716 Q721 E728 L729 H732	F714-F723 HydrophobicContact CB-CB 4.44Å; F714-F723 PolarHBondContact N-O 3.19Å; F714-F723 PolarHBondContact O-N 3.06Å; C716-F723 HydrophobicContact CB-CE2 4.13Å; Q721-F723 HydrophobicContact CB-CE2 3.99Å; Q721-F723 HydrophobicContact CB-CZ 4.09Å; Q721-F723 HydrophobicContact CG-CE2 4.31Å; Q721-F723 HydrophobicContact CG-CZ 4.01Å; Q721-F723 WeakPolarHBondContact O-CE2 3.48Å; F723-E728 HydrophobicContact CB-CB 4.05Å; F723-E728 HydrophobicContact CD1-CB 3.74Å; F723-E728 HydrophobicContact CG-CB 4.16Å; F723-L729 HydrophobicContact CB-CB 4.4Å; F723-L729 HydrophobicContact CD2-CB 4.18Å; F723-L729 HydrophobicContact CD2-CD1 4.11Å; F723-L729 HydrophobicContact CE2-CD1 4.34Å; F723-L729 HydrophobicContact CG-CB 4.41Å; F723-H732 HydrophobicContact CE1-CB 4.33Å; F723-H732 HydrophobicContact CE2-CB 4.31Å; F723-H732 HydrophobicContact CZ-CB 3.87Å; F723-H732 AromaticContact CZ-CD2 3.88Å; F723-H732 AromaticContact CZ-CG 3.54Å; F723-H732 AromaticContact CZ-ND1 3.64Å
724	G	54.4	Low	67.6	Low	27 Å²	27	81.4 Å²	81.4	28%	0.278	42%	0.423	S	S	.	.	S	Bend	trans	-77.1	-34.1	-178.9	0	0	0	0	0	111.6	E728	G724-E728 PolarHBondContact N-OE2 3.42Å
725	L	66.7	Low	68	Low	105 Å²	105	82.9 Å²	82.9	55%	0.55	44%	0.438	S	S	.	.	S	Bend	trans	-124.9	145.8	-175.6	-56.4	173.4	0	0	0	111.1	S727 E728 L729	L725-S727 PolarHBondContact O-N 3.32Å; L725-E728 HydrophobicContact CB-CG 4.2Å; L725-E728 PolarHBondContact N-OE2 3.04Å; L725-E728 WeakPolarHBondContact O-CB 3.3Å; L725-E728 PolarHBondContact O-N 2.85Å; L725-L729 PolarHBondContact O-N 2.94Å
726	S	56.6	Low	67.9	Low	64 Å²	64	79.6 Å²	79.6	45%	0.448	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-24	179.1	54	0	0	0	0	113.3	L730	S726-L730 WeakPolarHBondContact O-CB 3.34Å; S726-L730 WeakPolarHBondContact O-CG 3.2Å; S726-L730 PolarHBondContact O-N 3.08Å
727	S	62.7	Low	67	Low	73 Å²	73	83.8 Å²	83.8	51%	0.51	46%	0.459	S	S	.	.	H	α-helix	trans	-65.1	-39	172.9	47.4	0	0	0	0	113	L725 L730 L731	L725-S727 PolarHBondContact O-N 3.32Å; S727-L730 PolarHBondContact O-N 3.4Å; S727-L731 PolarHBondContact O-N 3.12Å; S727-L731 VanDerWaalsContact O-N 3.1Å
728	E	71.6	Confident	66	Low	79 Å²	79	82.4 Å²	82.4	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-64.6	-46.1	176	-59.3	174.1	134	0	0	110.3	F723 G724 L725 L730 L731 H732	F723-E728 HydrophobicContact CB-CB 4.05Å; F723-E728 HydrophobicContact CD1-CB 3.74Å; F723-E728 HydrophobicContact CG-CB 4.16Å; G724-E728 PolarHBondContact N-OE2 3.42Å; L725-E728 HydrophobicContact CB-CG 4.2Å; L725-E728 PolarHBondContact N-OE2 3.04Å; L725-E728 WeakPolarHBondContact O-CB 3.3Å; L725-E728 PolarHBondContact O-N 2.85Å; E728-L730 PolarHBondContact O-N 2.95Å; E728-L731 PolarHBondContact O-N 3.06Å; E728-H732 WeakPolarHBondContact O-CB 3.35Å; E728-H732 PolarHBondContact O-N 2.8Å
729	L	73.9	Confident	64.4	Low	22 Å²	22	79.2 Å²	79.2	12%	0.115	47%	0.465	C	S	.	.	H	α-helix	trans	-60.2	-44.1	176.6	173.8	59	0	0	0	111.9	F714 C716 F723 L725 L731 H732 Q733	F714-L729 HydrophobicContact CB-CD2 4.08Å; C716-L729 HydrophobicContact CB-CD1 3.53Å; F723-L729 HydrophobicContact CB-CB 4.4Å; F723-L729 HydrophobicContact CD2-CB 4.18Å; F723-L729 HydrophobicContact CD2-CD1 4.11Å; F723-L729 HydrophobicContact CE2-CD1 4.34Å; F723-L729 HydrophobicContact CG-CB 4.41Å; L725-L729 PolarHBondContact O-N 2.94Å; L729-L731 VanDerWaalsContact C-N 3.27Å; L729-L731 PolarHBondContact O-N 3.4Å; L729-H732 PolarHBondContact O-N 3.35Å; L729-Q733 HydrophobicContact CD1-CG 3.88Å; L729-Q733 HydrophobicContact CG-CG 4.43Å; L729-Q733 WeakPolarHBondContact O-CB 3.49Å; L729-Q733 WeakPolarHBondContact O-CG 3.29Å; L729-Q733 PolarHBondContact O-N 3.31Å
730	L	68.1	Low	62.2	Low	104 Å²	104	86.7 Å²	86.7	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-24.8	177.3	-82.8	165.7	0	0	0	113.8	S726 S727 E728	S726-L730 WeakPolarHBondContact O-CB 3.34Å; S726-L730 WeakPolarHBondContact O-CG 3.2Å; S726-L730 PolarHBondContact O-N 3.08Å; S727-L730 PolarHBondContact O-N 3.4Å; E728-L730 PolarHBondContact O-N 2.95Å
731	L	67.4	Low	60.2	Low	125 Å²	125	84.6 Å²	84.6	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-78.4	-43.2	171.8	-163.3	69.9	0	0	0	110.7	S727 E728 L729 K734	S727-L731 PolarHBondContact O-N 3.12Å; S727-L731 VanDerWaalsContact O-N 3.1Å; E728-L731 PolarHBondContact O-N 3.06Å; L729-L731 VanDerWaalsContact C-N 3.27Å; L729-L731 PolarHBondContact O-N 3.4Å; L731-K734 PolarHBondContact O-N 3.48Å
732	H	74.9	Confident	58.1	Low	42 Å²	42	85.3 Å²	85.3	19%	0.194	52%	0.515	C	S	.	.	H	α-helix	trans	-64.8	-41.2	178.6	-176	87.9	0	0	0	113	C719 Q721 F723 E728 L729 K734 V735 H736	C719-H732 PolarHBondContact SG-NE2 3Å; Q721-H732 PolarHBondContact OE1-CE1 3.07Å; F723-H732 HydrophobicContact CE1-CB 4.33Å; F723-H732 HydrophobicContact CE2-CB 4.31Å; F723-H732 HydrophobicContact CZ-CB 3.87Å; F723-H732 AromaticContact CZ-CD2 3.88Å; F723-H732 AromaticContact CZ-CG 3.54Å; F723-H732 AromaticContact CZ-ND1 3.64Å; E728-H732 WeakPolarHBondContact O-CB 3.35Å; E728-H732 PolarHBondContact O-N 2.8Å; L729-H732 PolarHBondContact O-N 3.35Å; H732-K734 PolarHBondContact O-N 3.26Å; H732-K734 VanDerWaalsContact O-N 3.15Å; H732-V735 VanDerWaalsContact O-CB 3.3Å; H732-V735 WeakPolarHBondContact O-CB 3.39Å; H732-V735 WeakPolarHBondContact O-CG2 3.21Å; H732-V735 PolarHBondContact O-N 3.44Å; H732-H736 AromaticContact NE2-NE2 3.84Å
733	Q	66.3	Low	56.3	Low	66 Å²	66	92.1 Å²	92.1	31%	0.308	54%	0.542	S	S	.	.	H	α-helix	trans	-61.7	-22.7	177.3	-77.5	176.9	-37	0	0	113.6	L729 V735 H736 A737	L729-Q733 HydrophobicContact CD1-CG 3.88Å; L729-Q733 HydrophobicContact CG-CG 4.43Å; L729-Q733 WeakPolarHBondContact O-CB 3.49Å; L729-Q733 WeakPolarHBondContact O-CG 3.29Å; L729-Q733 PolarHBondContact O-N 3.31Å; Q733-V735 PolarHBondContact O-N 3.37Å; Q733-H736 PolarHBondContact O-N 3.34Å; Q733-A737 PolarHBondContact O-N 3.45Å
734	K	67.7	Low	54.2	Low	150 Å²	150	100.6 Å²	100.6	65%	0.652	58%	0.578	S	S	*	*	H	α-helix	trans	-70.5	-17.4	174.3	-69.8	173.9	-178.6	174.1	0	113.5	L731 H732 H736	L731-K734 PolarHBondContact O-N 3.48Å; H732-K734 PolarHBondContact O-N 3.26Å; H732-K734 VanDerWaalsContact O-N 3.15Å; K734-H736 VanDerWaalsContact C-N 3.35Å
735	V	64.9	Low	52.8	Low	111 Å²	111	104.6 Å²	104.6	67%	0.673	60%	0.602	S	S	*	*	H	α-helix	trans	-69.4	-37	172.1	-174.7	0	0	0	0	110.5	H732 Q733	H732-V735 VanDerWaalsContact O-CB 3.3Å; H732-V735 WeakPolarHBondContact O-CB 3.39Å; H732-V735 WeakPolarHBondContact O-CG2 3.21Å; H732-V735 PolarHBondContact O-N 3.44Å; Q733-V735 PolarHBondContact O-N 3.37Å
736	H	68.8	Low	51	Low	68 Å²	68	105.5 Å²	105.5	32%	0.315	61%	0.612	S	S	.	*	H	α-helix	trans	-74.9	-30.9	179.6	-72	-104.7	0	0	0	113.1	E718 H732 Q733 K734 G738	E718-H736 IonicContact OE2-CE1 3.33Å; E718-H736 IonicContact OE2-CG 2.7Å; E718-H736 IonicContact OE2-ND1 3.12Å; E718-H736 PolarHBondContact OE2-ND1 2.86Å; H732-H736 AromaticContact NE2-NE2 3.84Å; Q733-H736 PolarHBondContact O-N 3.34Å; K734-H736 VanDerWaalsContact C-N 3.35Å; H736-G738 PolarHBondContact O-N 3.35Å
737	A	51.3	Low	49.5	Very low	89 Å²	89	110.3 Å²	110.3	74%	0.736	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	6.3	176.3	0	0	0	0	0	114.7	Q733	Q733-A737 PolarHBondContact O-N 3.45Å
738	G	42.3	Very low	47.9	Very low	69 Å²	69	114 Å²	114	71%	0.711	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	0.1	-166.6	0	0	0	0	0	118	H736	H736-G738 PolarHBondContact O-N 3.35Å
739	G	32.8	Very low	45.6	Very low	64 Å²	64	113.4 Å²	113.4	66%	0.66	66%	0.656	S	S	*	*			trans	-175.7	137.2	177.1	0	0	0	0	0	118.2
740	K	32.4	Very low	43.5	Very low	212 Å²	212	122.6 Å²	122.6	92%	0.922	70%	0.695	S	S	*	*			trans	-173	95	152	-110.6	167.7	-175.2	173.5	0	113.3
741	S	28.5	Very low	41.5	Very low	126 Å²	126	122.9 Å²	122.9	88%	0.881	71%	0.706	S	S	*	*			trans	176.3	140.9	147.1	53.6	0	0	0	0	108.7
742	S	27.9	Very low	39.5	Very low	121 Å²	121	121.8 Å²	121.8	85%	0.846	71%	0.708	S	S	*	*			cis	-146.4	163.6	-10.6	-166.8	0	0	0	0	109.3
743	Q	31.1	Very low	37.2	Very low	190 Å²	190	124.7 Å²	124.7	89%	0.888	73%	0.733	S	S	*	*			trans	-110.2	108.9	-179.4	-83.2	-170.7	-69.7	0	0	114
744	K	28.6	Very low	35.3	Very low	205 Å²	205	128.3 Å²	128.3	89%	0.891	76%	0.759	S	S	*	*			trans	179.5	144.6	144.2	-102.4	175.2	179.1	-176.4	0	106.3
745	S	25.1	Very low	33.3	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	77%	0.765	S	S	*	*			cis	-133.7	168.7	19.9	-58.5	0	0	0	0	112.8
746	T	28	Very low	31.7	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	77%	0.771	S	S	*	*			trans	-81.5	148.8	165.4	45	0	0	0	0	111.6
747	E	26.4	Very low	29.6	Very low	165 Å²	165	135.3 Å²	135.3	77%	0.771	80%	0.796	S	S	*	*				180	165.1	126.6	-94	-64	86.1	0	0	111.6
748	L	27.9	Very low	28.4	Very low	151 Å²	151	138.3 Å²	138.3	79%	0.791	79%	0.794	S	S	*	*			trans	-51	144.5	-164.9	-73.8	86.7	0	0	0	119.1
749	G	23.1	Very low	27.9	Very low	65 Å²	65	143.2 Å²	143.2	67%	0.67	80%	0.803	S	S	*	*				127.1	112.6	98.8	0	0	0	0	0	120.8
750	K	29.4	Very low	27.7	Very low	215 Å²	215	151.1 Å²	151.1	94%	0.935	81%	0.813	S	S	*	*			trans	69.6	144.9	156	-55.2	169.7	-173.4	174.4	0	115.8
751	S	26.2	Very low	27.5	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	81%	0.805	S	S	*	*			cis	-154	137.5	-4.9	44.8	0	0	0	0	112.9
752	S	26.2	Very low	28.7	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	80%	0.796	S	S	*	*			trans	19.4	140	143.1	-165.3	0	0	0	0	122.4
753	S	26.2	Very low	29.3	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	80%	0.799	S	S	*	*			trans	62.8	141.8	148.9	48	0	0	0	0	118
754	V	26	Very low	29.7	Very low	141 Å²	141	142.9 Å²	142.9	86%	0.855	80%	0.799	S	S	*	*			cis	-127.2	152.8	29.1	170.8	0	0	0	0	112.6
755	L	26.4	Very low	30.4	Very low	146 Å²	146	136.9 Å²	136.9	76%	0.764	79%	0.788	S	S	*	*			trans	-95.4	148.4	171.8	-96.4	162.9	0	0	0	111.7
756	L	30.3	Very low	31.7	Very low	153 Å²	153	138.8 Å²	138.8	80%	0.801	78%	0.778	S	S	*	*			trans	56.5	78.7	150.7	-69.8	165.7	0	0	0	119
757	E	26.3	Very low	33	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	77%	0.771	S	S	*	*			trans	-165.7	120.4	134.7	-114.2	176.6	164.3	0	0	107.5
758	H	26.3	Very low	34.6	Very low	152 Å²	152	133.4 Å²	133.4	70%	0.704	75%	0.75	S	S	*	*			cis	-140.6	144.7	41	-75.7	47.3	0	0	0	113.2
759	L	30.8	Very low	36.4	Very low	172 Å²	172	130 Å²	130	90%	0.901	74%	0.739	S	S	*	*			trans	-115.8	83.8	153.7	-90	172.1	0	0	0	110
760	R	29.3	Very low	39	Very low	230 Å²	230	127 Å²	127	87%	0.868	71%	0.708	S	S	*	*			trans	-119.4	122.1	154.3	-71.4	-171.8	-175.8	-179.2	3.5	108
761	S	28.5	Very low	41.1	Very low	109 Å²	109	121.4 Å²	121.4	76%	0.762	70%	0.695	S	S	*	*			trans	-83.8	162.1	169.8	-54.6	0	0	0	0	110.3
762	P	52.2	Low	43.1	Very low	107 Å²	107	120.7 Å²	120.7	70%	0.695	68%	0.683	S	S	*	*	S	Bend	cis	-128.9	-166	-22.3	37	-18.9	0	0	0	111.7
763	L	42	Very low	45.6	Very low	173 Å²	173	119.1 Å²	119.1	91%	0.906	67%	0.671	S	S	*	*			trans	54.9	93.8	160.6	-57.3	172.8	0	0	0	117.2
764	G	37.8	Very low	47.4	Very low	86 Å²	86	116.8 Å²	116.8	89%	0.887	66%	0.663	S	S	*	*			trans	-159.4	25.4	-175.7	0	0	0	0	0	119.7
765	A	44.9	Very low	49.7	Very low	80 Å²	80	111.7 Å²	111.7	66%	0.661	64%	0.636	S	S	*	*			trans	-145.5	97	173.4	0	0	0	0	0	112	L778	A765-L778 WeakPolarHBondContact O-CD2 3.22Å
766	R	51.5	Low	51.8	Low	150 Å²	150	107 Å²	107	57%	0.566	62%	0.616	S	S	*	*			trans	-112.7	94.4	171.6	-69.5	-161.7	-175.6	179.5	3	108.3	Y768 S776 F777 L778	R766-Y768 PolarHBondContact O-N 2.84Å; R766-Y768 VanDerWaalsContact O-N 3.15Å; R766-S776 VanDerWaalsContact CD-C 3.41Å; R766-S776 WeakPolarHBondContact CD-O 3.49Å; R766-S776 PolarHBondContact NH1-O 3.15Å; R766-F777 CarbonylContact C-O 3.44Å; R766-F777 WeakPolarHBondContact CA-O 3.32Å; R766-F777 WeakPolarHBondContact CB-O 3.48Å; R766-L778 HydrophobicContact CG-CD2 3.91Å; R766-L778 HydrophobicContact CG-CG 4.15Å
767	P	54.3	Low	53.9	Low	95 Å²	95	101.6 Å²	101.6	62%	0.617	59%	0.586	S	S	*	*			trans	-77.4	2.4	-164.2	30.8	-36.2	0	0	0	115.1
768	Y	60.9	Low	55.8	Low	83 Å²	83	99.1 Å²	99.1	33%	0.325	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.7	128.2	178.6	-54.6	-67.4	0	0	0	109.6	R766 S776 F777 R780	R766-Y768 PolarHBondContact O-N 2.84Å; R766-Y768 VanDerWaalsContact O-N 3.15Å; Y768-S776 CarbonylContact O-C 3.17Å; Y768-S776 VanDerWaalsContact O-CA 3.32Å; Y768-S776 WeakPolarHBondContact O-CA 3.44Å; Y768-F777 PolarHBondContact N-O 3Å; Y768-F777 PolarHBondContact O-N 3.22Å; Y768-R780 HydrophobicContact CD1-CG 3.77Å; Y768-R780 HydrophobicContact CD2-CG 4.08Å; Y768-R780 HydrophobicContact CE1-CG 3.47Å; Y768-R780 VanDerWaalsContact CE1-CG 3.47Å; Y768-R780 HydrophobicContact CE2-CG 3.81Å; Y768-R780 HydrophobicContact CG-CG 4.06Å; Y768-R780 VanDerWaalsContact CZ-CG 3.49Å
769	S	66.6	Low	57.7	Low	80 Å²	80	95.7 Å²	95.7	56%	0.559	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.3	148	174.6	47.9	0	0	0	0	111.4	A775	S769-A775 CarbonylContact C-O 3.2Å; S769-A775 WeakPolarHBondContact CA-O 3.4Å
770	C	77.7	Confident	59.3	Low	2 Å²	2	95.2 Å²	95.2	1%	0.014	55%	0.551	C	S	.	*			trans	-78.1	127	167.1	168.7	0	0	0	0	108.7	D772 G774 A775 F777 L783	C770-D772 PolarHBondContact O-N 3.31Å; C770-D772 PolarHBondContact SG-N 3.17Å; C770-D772 VanDerWaalsContact SG-N 3.36Å; C770-D772 PolarHBondContact SG-OD2 3.48Å; C770-G774 VanDerWaalsContact O-CA 3.28Å; C770-G774 WeakPolarHBondContact O-CA 3.35Å; C770-G774 PolarHBondContact O-N 2.91Å; C770-A775 PolarHBondContact N-O 3.26Å; C770-F777 HydrophobicContact CB-CE2 4.23Å; C770-L783 HydrophobicContact CB-CD1 3.7Å
771	S	71.8	Confident	61.5	Low	97 Å²	97	88.4 Å²	88.4	68%	0.678	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.2	175.3	34.7	0	0	0	0	112.9
772	D	69.7	Low	63.7	Low	95 Å²	95	85.1 Å²	85.1	51%	0.508	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-20	-156.8	-33.5	-58.6	0	0	0	111.7	C770	C770-D772 PolarHBondContact O-N 3.31Å; C770-D772 PolarHBondContact SG-N 3.17Å; C770-D772 VanDerWaalsContact SG-N 3.36Å; C770-D772 PolarHBondContact SG-OD2 3.48Å
773	C	78.8	Confident	65	Low	69 Å²	69	80.9 Å²	80.9	47%	0.466	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	5.6	175.4	68.4	0	0	0	0	114.7	A775 H786 H790	C773-A775 PolarHBondContact O-N 3.48Å; C773-A775 VanDerWaalsContact O-N 3.08Å; C773-A775 VanDerWaalsContact SG-CB 3.6Å; C773-H786 PolarHBondContact SG-NE2 2.84Å; C773-H790 PolarHBondContact SG-NE2 2.91Å; C773-H790 VanDerWaalsContact SG-NE2 3.4Å
774	G	64	Low	66.4	Low	54 Å²	54	75.9 Å²	75.9	56%	0.557	46%	0.462	S	S	*	.			trans	72	-5.7	179.5	0	0	0	0	0	116.1	C770 S776	C770-G774 VanDerWaalsContact O-CA 3.28Å; C770-G774 WeakPolarHBondContact O-CA 3.35Å; C770-G774 PolarHBondContact O-N 2.91Å; G774-S776 PolarHBondContact O-N 3.48Å
775	A	73.9	Confident	68.4	Low	35 Å²	35	79.3 Å²	79.3	29%	0.289	45%	0.448	S	S	.	.			trans	-57.8	132.2	178.8	0	0	0	0	0	111.3	S769 C770 C773 F777	S769-A775 CarbonylContact C-O 3.2Å; S769-A775 WeakPolarHBondContact CA-O 3.4Å; C770-A775 PolarHBondContact N-O 3.26Å; C773-A775 PolarHBondContact O-N 3.48Å; C773-A775 VanDerWaalsContact O-N 3.08Å; C773-A775 VanDerWaalsContact SG-CB 3.6Å; A775-F777 HydrophobicContact CB-CE2 3.73Å; A775-F777 HydrophobicContact CB-CZ 3.87Å; A775-F777 WeakPolarHBondContact O-CD2 3.46Å; A775-F777 WeakPolarHBondContact O-CE2 3.29Å
776	S	70.2	Confident	70	Confident	48 Å²	48	77.6 Å²	77.6	34%	0.336	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.9	-176.9	55.1	0	0	0	0	112.6	R766 Y768 G774	R766-S776 VanDerWaalsContact CD-C 3.41Å; R766-S776 WeakPolarHBondContact CD-O 3.49Å; R766-S776 PolarHBondContact NH1-O 3.15Å; Y768-S776 CarbonylContact O-C 3.17Å; Y768-S776 VanDerWaalsContact O-CA 3.32Å; Y768-S776 WeakPolarHBondContact O-CA 3.44Å; G774-S776 PolarHBondContact O-N 3.48Å
777	F	74.4	Confident	71	Confident	39 Å²	39	73.7 Å²	73.7	17%	0.171	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	153	-167.4	-62.2	-84.1	0	0	0	112.1	R766 Y768 C770 A775 A782 L783 H786	R766-F777 CarbonylContact C-O 3.44Å; R766-F777 WeakPolarHBondContact CA-O 3.32Å; R766-F777 WeakPolarHBondContact CB-O 3.48Å; Y768-F777 PolarHBondContact N-O 3Å; Y768-F777 PolarHBondContact O-N 3.22Å; C770-F777 HydrophobicContact CB-CE2 4.23Å; A775-F777 HydrophobicContact CB-CE2 3.73Å; A775-F777 HydrophobicContact CB-CZ 3.87Å; A775-F777 WeakPolarHBondContact O-CD2 3.46Å; A775-F777 WeakPolarHBondContact O-CE2 3.29Å; F777-A782 HydrophobicContact CB-CB 4.34Å; F777-A782 HydrophobicContact CD1-CB 4.02Å; F777-L783 HydrophobicContact CB-CB 4.28Å; F777-L783 HydrophobicContact CD2-CB 4.15Å; F777-L783 HydrophobicContact CD2-CD1 3.85Å; F777-L783 HydrophobicContact CE2-CD1 4.13Å; F777-L783 HydrophobicContact CG-CB 4.31Å; F777-H786 HydrophobicContact CE1-CB 4.07Å; F777-H786 HydrophobicContact CE2-CB 4.15Å; F777-H786 AromaticContact CE2-CD2 3.41Å; F777-H786 VanDerWaalsContact CE2-CD2 3.41Å; F777-H786 WeakPolarHBondContact CE2-CD2 3.36Å; F777-H786 AromaticContact CE2-CG 3.95Å; F777-H786 HydrophobicContact CZ-CB 3.63Å; F777-H786 AromaticContact CZ-CD2 3.26Å; F777-H786 WeakPolarHBondContact CZ-CD2 3.19Å; F777-H786 AromaticContact CZ-CG 3.4Å; F777-H786 AromaticContact CZ-NE2 3.95Å
778	L	66.9	Low	72	Confident	126 Å²	126	74.2 Å²	74.2	66%	0.66	41%	0.409	S	S	*	.	S	Bend	trans	-83.8	-23.3	-178.1	-70.9	167.9	0	0	0	113.6	A765 R766	A765-L778 WeakPolarHBondContact O-CD2 3.22Å; R766-L778 HydrophobicContact CG-CD2 3.91Å; R766-L778 HydrophobicContact CG-CG 4.15Å
779	D	64.8	Low	72.3	Confident	80 Å²	80	74 Å²	74	43%	0.428	42%	0.416	S	S	.	.	S	Bend	trans	-144.3	155	-179.4	173.8	52	0	0	0	111.3	V781 A782 L783	D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 3.46Å; D779-V781 VanDerWaalsContact OD2-CB 3.23Å; D779-V781 WeakPolarHBondContact OD2-CB 3.29Å; D779-V781 WeakPolarHBondContact OD2-CG2 3.4Å; D779-V781 PolarHBondContact OD2-N 3.06Å; D779-A782 PolarHBondContact O-N 3.43Å; D779-L783 PolarHBondContact O-N 3.46Å
780	R	64.7	Low	72.5	Confident	162 Å²	162	74 Å²	74	61%	0.611	41%	0.407	S	S	*	.	H	α-helix	trans	-64	-33.4	179.8	-64.3	-173	69.7	139.7	1.5	112.8	Y768 A782 L783 T784	Y768-R780 HydrophobicContact CD1-CG 3.77Å; Y768-R780 HydrophobicContact CD2-CG 4.08Å; Y768-R780 HydrophobicContact CE1-CG 3.47Å; Y768-R780 VanDerWaalsContact CE1-CG 3.47Å; Y768-R780 HydrophobicContact CE2-CG 3.81Å; Y768-R780 HydrophobicContact CG-CG 4.06Å; Y768-R780 VanDerWaalsContact CZ-CG 3.49Å; R780-A782 VanDerWaalsContact C-N 3.26Å; R780-A782 PolarHBondContact O-N 3.39Å; R780-L783 PolarHBondContact O-N 3.17Å; R780-T784 PolarHBondContact O-N 3.15Å; R780-T784 PolarHBondContact O-OG1 3.27Å; R780-T784 VanDerWaalsContact O-OG1 3.07Å
781	V	75.4	Confident	71.4	Confident	86 Å²	86	79.3 Å²	79.3	52%	0.521	44%	0.439	S	S	.	.	H	α-helix	trans	-67.8	-30.6	179.2	-175.5	0	0	0	0	111.3	D779 R785	D779-V781 VanDerWaalsContact C-N 3.34Å; D779-V781 PolarHBondContact O-N 3.46Å; D779-V781 VanDerWaalsContact OD2-CB 3.23Å; D779-V781 WeakPolarHBondContact OD2-CB 3.29Å; D779-V781 WeakPolarHBondContact OD2-CG2 3.4Å; D779-V781 PolarHBondContact OD2-N 3.06Å; V781-R785 PolarHBondContact O-N 3.48Å
782	A	74.9	Confident	70.4	Confident	40 Å²	40	82.8 Å²	82.8	33%	0.331	45%	0.445	S	S	.	.	H	α-helix	trans	-72.1	-40.8	172.2	0	0	0	0	0	111.9	F777 D779 R780 H786	F777-A782 HydrophobicContact CB-CB 4.34Å; F777-A782 HydrophobicContact CD1-CB 4.02Å; D779-A782 PolarHBondContact O-N 3.43Å; R780-A782 VanDerWaalsContact C-N 3.26Å; R780-A782 PolarHBondContact O-N 3.39Å; A782-H786 PolarHBondContact O-N 3.21Å
783	L	79.5	Confident	69.1	Low	19 Å²	19	87.1 Å²	87.1	10%	0.099	46%	0.462	C	S	.	.	H	α-helix	trans	-62.2	-48.8	173.7	173.1	60.1	0	0	0	111.7	C770 F777 D779 R780 R785 H786 Q787	C770-L783 HydrophobicContact CB-CD1 3.7Å; F777-L783 HydrophobicContact CB-CB 4.28Å; F777-L783 HydrophobicContact CD2-CB 4.15Å; F777-L783 HydrophobicContact CD2-CD1 3.85Å; F777-L783 HydrophobicContact CE2-CD1 4.13Å; F777-L783 HydrophobicContact CG-CB 4.31Å; D779-L783 PolarHBondContact O-N 3.46Å; R780-L783 PolarHBondContact O-N 3.17Å; L783-R785 PolarHBondContact O-N 3.12Å; L783-H786 CarbonylContact O-C 3.5Å; L783-H786 WeakPolarHBondContact O-CA 3.49Å; L783-H786 WeakPolarHBondContact O-CB 3.49Å; L783-H786 PolarHBondContact O-N 2.97Å; L783-Q787 HydrophobicContact CD1-CG 3.86Å; L783-Q787 HydrophobicContact CG-CG 4.31Å; L783-Q787 WeakPolarHBondContact O-CG 3.45Å; L783-Q787 PolarHBondContact O-N 3.46Å
784	T	72.6	Confident	66.8	Low	68 Å²	68	93.1 Å²	93.1	42%	0.417	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-44.9	-178.5	-56.7	0	0	0	0	111.6	R780 H786 Q787 E788	R780-T784 PolarHBondContact O-N 3.15Å; R780-T784 PolarHBondContact O-OG1 3.27Å; R780-T784 VanDerWaalsContact O-OG1 3.07Å; T784-H786 PolarHBondContact O-N 2.91Å; T784-Q787 PolarHBondContact O-N 3.46Å; T784-Q787 VanDerWaalsContact O-N 3.15Å; T784-E788 WeakPolarHBondContact O-CG 3.47Å; T784-E788 PolarHBondContact O-N 3.29Å
785	R	78.1	Confident	65.2	Low	158 Å²	158	96 Å²	96	60%	0.596	49%	0.492	S	S	*	.	H	α-helix	trans	-62.8	-25.8	175.8	-170.1	176.4	-63.9	111.7	3.1	113.6	V781 L783 E788	V781-R785 PolarHBondContact O-N 3.48Å; L783-R785 PolarHBondContact O-N 3.12Å; R785-E788 WeakPolarHBondContact CA-OE2 3.44Å
786	H	79.6	Confident	63.4	Low	44 Å²	44	100.5 Å²	100.5	20%	0.204	52%	0.519	C	S	.	.	H	α-helix	trans	-83.9	-34.3	174.4	179.5	58.7	0	0	0	112.8	C773 F777 A782 L783 T784 E788 T789 H790	C773-H786 PolarHBondContact SG-NE2 2.84Å; F777-H786 HydrophobicContact CE1-CB 4.07Å; F777-H786 HydrophobicContact CE2-CB 4.15Å; F777-H786 AromaticContact CE2-CD2 3.41Å; F777-H786 VanDerWaalsContact CE2-CD2 3.41Å; F777-H786 WeakPolarHBondContact CE2-CD2 3.36Å; F777-H786 AromaticContact CE2-CG 3.95Å; F777-H786 HydrophobicContact CZ-CB 3.63Å; F777-H786 AromaticContact CZ-CD2 3.26Å; F777-H786 WeakPolarHBondContact CZ-CD2 3.19Å; F777-H786 AromaticContact CZ-CG 3.4Å; F777-H786 AromaticContact CZ-NE2 3.95Å; A782-H786 PolarHBondContact O-N 3.21Å; L783-H786 CarbonylContact O-C 3.5Å; L783-H786 WeakPolarHBondContact O-CA 3.49Å; L783-H786 WeakPolarHBondContact O-CB 3.49Å; L783-H786 PolarHBondContact O-N 2.97Å; T784-H786 PolarHBondContact O-N 2.91Å; H786-E788 VanDerWaalsContact C-N 3.27Å; H786-E788 PolarHBondContact O-N 3.28Å; H786-T789 PolarHBondContact ND1-OG1 3.09Å; H786-T789 PolarHBondContact O-N 3.02Å; H786-T789 VanDerWaalsContact O-N 3.09Å; H786-T789 PolarHBondContact O-OG1 3.17Å; H786-H790 AromaticContact CD2-NE2 3.74Å; H786-H790 AromaticContact CE1-NE2 3.3Å; H786-H790 PolarHBondContact CE1-NE2 2.83Å; H786-H790 VanDerWaalsContact CE1-NE2 3.3Å; H786-H790 AromaticContact NE2-CD2 3.9Å; H786-H790 AromaticContact NE2-NE2 3.04Å; H786-H790 PolarHBondContact NE2-NE2 3.11Å; H786-H790 PolarHBondContact O-CD2 3.31Å; H786-H790 VanDerWaalsContact O-CD2 3.26Å; H786-H790 PolarHBondContact O-N 2.95Å
787	Q	73.2	Confident	61.3	Low	67 Å²	67	103.7 Å²	103.7	31%	0.313	54%	0.541	S	S	.	.	H	α-helix	trans	-63.9	-35.7	170.2	-68.2	-177.2	-67.7	0	0	111.2	L783 T784 T789 H790	L783-Q787 HydrophobicContact CD1-CG 3.86Å; L783-Q787 HydrophobicContact CG-CG 4.31Å; L783-Q787 WeakPolarHBondContact O-CG 3.45Å; L783-Q787 PolarHBondContact O-N 3.46Å; T784-Q787 PolarHBondContact O-N 3.46Å; T784-Q787 VanDerWaalsContact O-N 3.15Å; Q787-T789 VanDerWaalsContact C-N 3.27Å; Q787-T789 PolarHBondContact O-N 3.29Å; Q787-H790 PolarHBondContact O-N 3.09Å
788	E	74	Confident	59.8	Low	106 Å²	106	107.2 Å²	107.2	50%	0.495	57%	0.568	S	S	.	*	H	α-helix	trans	-56.5	-37.2	169.8	-72.3	163	-174.6	0	0	112.2	T784 R785 H786 H790 T791	T784-E788 WeakPolarHBondContact O-CG 3.47Å; T784-E788 PolarHBondContact O-N 3.29Å; R785-E788 WeakPolarHBondContact CA-OE2 3.44Å; H786-E788 VanDerWaalsContact C-N 3.27Å; H786-E788 PolarHBondContact O-N 3.28Å; E788-H790 PolarHBondContact O-N 3.37Å; E788-T791 PolarHBondContact O-N 2.83Å; E788-T791 VanDerWaalsContact O-N 3.11Å; E788-T791 PolarHBondContact O-OG1 2.84Å
789	T	68.5	Low	58	Low	78 Å²	78	110.4 Å²	110.4	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-67.4	-32.1	177	52	0	0	0	0	114	H786 Q787 T791 Q792	H786-T789 PolarHBondContact ND1-OG1 3.09Å; H786-T789 PolarHBondContact O-N 3.02Å; H786-T789 VanDerWaalsContact O-N 3.09Å; H786-T789 PolarHBondContact O-OG1 3.17Å; Q787-T789 VanDerWaalsContact C-N 3.27Å; Q787-T789 PolarHBondContact O-N 3.29Å; T789-T791 PolarHBondContact O-N 2.99Å; T789-Q792 PolarHBondContact O-N 2.97Å
790	H	69.1	Low	56.1	Low	80 Å²	80	113.6 Å²	113.6	37%	0.37	60%	0.596	S	S	.	*	H	α-helix	trans	-70.4	-12.7	173.5	-65.6	-69	0	0	0	113.2	C773 H786 Q787 E788	C773-H790 PolarHBondContact SG-NE2 2.91Å; C773-H790 VanDerWaalsContact SG-NE2 3.4Å; H786-H790 AromaticContact CD2-NE2 3.74Å; H786-H790 AromaticContact CE1-NE2 3.3Å; H786-H790 PolarHBondContact CE1-NE2 2.83Å; H786-H790 VanDerWaalsContact CE1-NE2 3.3Å; H786-H790 AromaticContact NE2-CD2 3.9Å; H786-H790 AromaticContact NE2-NE2 3.04Å; H786-H790 PolarHBondContact NE2-NE2 3.11Å; H786-H790 PolarHBondContact O-CD2 3.31Å; H786-H790 VanDerWaalsContact O-CD2 3.26Å; H786-H790 PolarHBondContact O-N 2.95Å; Q787-H790 PolarHBondContact O-N 3.09Å; E788-H790 PolarHBondContact O-N 3.37Å
791	T	56.5	Low	54.8	Low	114 Å²	114	111.5 Å²	111.5	70%	0.699	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-2.4	179.8	63.1	0	0	0	0	115	E788 T789	E788-T791 PolarHBondContact O-N 2.83Å; E788-T791 VanDerWaalsContact O-N 3.11Å; E788-T791 PolarHBondContact O-OG1 2.84Å; T789-T791 PolarHBondContact O-N 2.99Å
792	Q	49.2	Very low	52.9	Low	171 Å²	171	112.7 Å²	112.7	80%	0.799	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-22.2	178	-72.3	-159	-44.1	0	0	115.1	T789 K794	T789-Q792 PolarHBondContact O-N 2.97Å; Q792-K794 PolarHBondContact O-N 3.3Å
793	E	42.5	Very low	51.2	Low	185 Å²	185	116.9 Å²	116.9	86%	0.864	64%	0.637	S	S	*	*			trans	-94.9	71.4	178.4	-66.4	-159	151.8	0	0	113
794	K	32	Very low	48.9	Very low	195 Å²	195	125.2 Å²	125.2	85%	0.848	68%	0.675	S	S	*	*			trans	-151.4	80.1	160.2	-157.7	164.1	-172.1	172.1	0	114.6	Q792	Q792-K794 PolarHBondContact O-N 3.3Å
795	S	28.6	Very low	46.8	Very low	115 Å²	115	126.2 Å²	126.2	80%	0.804	69%	0.691	S	S	*	*			trans	-76.7	141.5	158.5	-56.7	0	0	0	0	110.2
796	P	35.9	Very low	44.3	Very low	130 Å²	130	122.6 Å²	122.6	84%	0.844	69%	0.694	S	S	*	*			trans	-84.1	151.4	176.5	33.6	-34.3	0	0	0	112.6
797	S	27	Very low	41.9	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	72%	0.722	S	S	*	*			trans	-113.4	155.9	163.9	58.5	0	0	0	0	110.1
798	P	42.1	Very low	39.6	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	74%	0.744	S	S	*	*			trans	-93.9	163.1	-166.9	37.3	-36.6	0	0	0	114.4
799	E	29.1	Very low	37.4	Very low	193 Å²	193	130 Å²	130	90%	0.902	75%	0.753	S	S	*	*			trans	-136.3	141.7	151.8	-68.4	-162.2	138	0	0	109.7
800	D	26.4	Very low	35.4	Very low	147 Å²	147	133 Å²	133	79%	0.786	77%	0.771	S	S	*	*			trans	-93.3	-178.8	175.2	-73.5	-63.2	0	0	0	110.5
801	P	36.8	Very low	33.4	Very low	117 Å²	117	132.7 Å²	132.7	76%	0.76	79%	0.789	S	S	*	*			cis	-136.2	-179.7	2.9	43.5	-27.4	0	0	0	115.9
802	P	34.7	Very low	32.2	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	79%	0.793	S	S	*	*			trans	-121.6	164.3	147.9	37.6	-27.2	0	0	0	113.2
803	P	40.8	Very low	31.2	Very low	129 Å²	129	135.3 Å²	135.3	84%	0.838	79%	0.794	S	S	*	*			trans	-89.6	-179.8	-172.5	36.1	-37.4	0	0	0	116.4
804	E	29.5	Very low	30.6	Very low	193 Å²	193	129.8 Å²	129.8	90%	0.902	79%	0.786	S	S	*	*			trans	-63.6	172.7	-171.8	-42.9	179.1	123.7	0	0	115.2
805	A	28.5	Very low	30.5	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	79%	0.793	S	S	*	*			cis	-160.7	174.6	20.5	0	0	0	0	0	115.7
806	A	27.4	Very low	30.6	Very low	81 Å²	81	128.5 Å²	128.5	67%	0.669	79%	0.79	S	S	*	*			trans	93.1	111.7	144.4	0	0	0	0	0	122.9
807	T	27.2	Very low	30.2	Very low	129 Å²	129	131.6 Å²	131.6	79%	0.791	79%	0.793	S	S	*	*			trans	72.9	146.3	137.4	57.9	0	0	0	0	120.6
808	L	25.2	Very low	30.7	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	79%	0.79	S	S	*	*			cis	-158.9	136.9	0.9	-117.2	163.8	0	0	0	113.5
809	S	28.2	Very low	31	Very low	96 Å²	96	130.5 Å²	130.5	67%	0.671	79%	0.791	S	S	*	*			trans	34.7	141.3	144.4	-66	0	0	0	0	129.1
810	T	27.7	Very low	31	Very low	141 Å²	141	127.5 Å²	127.5	87%	0.865	79%	0.785	S	S	*	*				87.3	126.5	129.4	45	0	0	0	0	126.8
811	G	27	Very low	32.2	Very low	73 Å²	73	125.4 Å²	125.4	75%	0.753	78%	0.78	S	S	*	*			trans	93.1	161.2	139.3	0	0	0	0	0	119.7
812	Q	30.6	Very low	31.8	Very low	165 Å²	165	128.8 Å²	128.8	77%	0.771	79%	0.788	S	S	*	*			cis	-170.4	151.8	-32.3	-145.2	176.5	-80.6	0	0	109.6
813	E	28.7	Very low	31.5	Very low	176 Å²	176	126.3 Å²	126.3	82%	0.822	78%	0.783	S	S	*	*			trans	67.1	157	162.8	-46.9	-179.1	174.6	0	0	118.4
814	G	29.7	Very low	31.1	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	79%	0.785	S	S	*	*			cis	176.5	153.5	-9.9	0	0	0	0	0	113.8
815	E	30.4	Very low	31.1	Very low	211 Å²	211	122.1 Å²	122.1	99%	0.986	78%	0.778	S	S	*	*			trans	61.7	159.8	164.9	-50.3	-172.3	150.8	0	0	118.5
816	G	29.5	Very low	31.2	Very low	72 Å²	72	122 Å²	122	74%	0.742	77%	0.772	S	S	*	*			cis	175.6	168.5	-3.7	0	0	0	0	0	107.7
817	E	27.9	Very low	31.2	Very low	196 Å²	196	127.2 Å²	127.2	92%	0.916	78%	0.782	S	S	*	*			cis	-161	171.8	-5.1	-90.1	-126.1	88	0	0	109.1
818	A	36.6	Very low	31.3	Very low	90 Å²	90	124.2 Å²	124.2	74%	0.744	78%	0.777	S	S	*	*			trans	-160.2	150.1	175.4	0	0	0	0	0	115.9
819	P	49.3	Very low	31.5	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	79%	0.787	S	S	*	*			trans	-134.3	153	151.8	34.8	-19.3	0	0	0	113.6
820	T	29.3	Very low	31.6	Very low	129 Å²	129	126 Å²	126	79%	0.791	79%	0.789	S	S	*	*			cis	71.8	158.5	35.9	75.3	0	0	0	0	114.5
821	P	51.5	Low	31.7	Very low	103 Å²	103	129 Å²	129	67%	0.669	79%	0.794	S	S	*	*			cis	-142.6	174.8	10.6	43.7	-24.7	0	0	0	119.2
822	M	28.4	Very low	31.8	Very low	188 Å²	188	135.1 Å²	135.1	93%	0.926	80%	0.803	S	S	*	*			trans	46.5	160.5	148.4	-68.3	-167	-60.4	0	0	123.6
823	G	27.5	Very low	31.7	Very low	60 Å²	60	131 Å²	131	62%	0.619	81%	0.805	S	S	*	*			cis	146.7	135	-11.6	0	0	0	0	0	115.8
824	S	32.6	Very low	31.7	Very low	125 Å²	125	131.2 Å²	131.2	87%	0.874	81%	0.806	S	S	*	*			trans	66.4	158.5	175.8	78.8	0	0	0	0	116.1
825	S	29.5	Very low	31.8	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	81%	0.808	S	S	*	*			cis	-171	173.2	-6.4	-111.5	0	0	0	0	108
826	S	30.5	Very low	32.1	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	79%	0.794	S	S	*	*			cis	-175.6	161.7	-11	46.5	0	0	0	0	110.5
827	H	27.9	Very low	32.3	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.875	80%	0.804	S	S	*	*			trans	69.3	148.2	174.5	-60.1	-86.8	0	0	0	118.5
828	G	28.2	Very low	32.5	Very low	67 Å²	67	131.7 Å²	131.7	69%	0.691	80%	0.796	S	S	*	*			cis	149.4	86.2	-15.5	0	0	0	0	0	116.7
829	E	30.8	Very low	32.6	Very low	209 Å²	209	138.5 Å²	138.5	98%	0.977	80%	0.803	S	S	*	*			trans	-176.7	148.2	163.6	-106.5	166.9	-144.8	0	0	106.6
830	G	28.9	Very low	32.2	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	81%	0.805	S	S	*	*			cis	-140.3	-162.3	-19.4	0	0	0	0	0	107.6
831	E	30.1	Very low	33.1	Very low	204 Å²	204	139.6 Å²	139.6	95%	0.953	80%	0.798	S	S	*	*			cis	-131.9	-149.6	-2.6	-62.8	175.9	89.2	0	0	108.3
832	E	30.1	Very low	33.4	Very low	203 Å²	203	142.9 Å²	142.9	95%	0.949	80%	0.804	S	S	*	*			trans	-122.4	152.6	-170.7	-61.3	-171.6	128.1	0	0	116.2
833	G	28	Very low	35.5	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	78%	0.784	S	S	*	*			trans	-174.7	112.7	172.8	0	0	0	0	0	111.4
834	E	29.6	Very low	37.4	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	78%	0.782	S	S	*	*			trans	-85.1	140.7	-160.5	-62.5	-177.9	82.4	0	0	116.6
835	S	30.2	Very low	39.3	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	76%	0.759	S	S	*	*			trans	61.4	164.5	138.1	-67.1	0	0	0	0	121.2
836	P	37.6	Very low	41.6	Very low	107 Å²	107	139.9 Å²	139.9	70%	0.695	75%	0.751	S	S	*	*			cis	-121.5	167.1	-42.6	37	-25	0	0	0	111.7	T838	P836-T838 PolarHBondContact O-N 3.18Å
837	K	34.8	Very low	43.8	Very low	219 Å²	219	135.9 Å²	135.9	95%	0.952	72%	0.723	S	S	*	*			trans	-68	99.4	175.5	-90.1	179.8	174.9	171.8	0	112.2
838	T	32	Very low	45.7	Very low	123 Å²	123	131.7 Å²	131.7	76%	0.755	71%	0.713	S	S	*	*			trans	-79.4	139.7	163.8	47.8	0	0	0	0	111.3	P836 V840	P836-T838 PolarHBondContact O-N 3.18Å; T838-V840 PolarHBondContact O-N 3.25Å
839	R	38.1	Very low	48.1	Very low	233 Å²	233	132 Å²	132	88%	0.879	70%	0.696	S	S	*	*			trans	-52.7	123.9	174.2	-178.2	-177.6	-169.8	162	0.3	110.4	E841	R839-E841 PolarHBondContact O-N 2.78Å
840	V	40.4	Very low	50.4	Low	131 Å²	131	125 Å²	125	79%	0.794	67%	0.67	S	S	*	*			trans	-69.3	114.3	172.2	179.2	0	0	0	0	108.4	T838	T838-V840 PolarHBondContact O-N 3.25Å
841	E	49.1	Very low	52.7	Low	136 Å²	136	123.9 Å²	123.9	64%	0.636	66%	0.658	S	S	*	*			trans	-78.6	120	167.6	-66	-169.1	146.8	0	0	109.4	R839 K843 T855	R839-E841 PolarHBondContact O-N 2.78Å; E841-K843 PolarHBondContact O-N 3.28Å; E841-T855 HydrophobicContact CB-CG2 4.19Å
842	E	56.8	Low	55.1	Low	172 Å²	172	118.2 Å²	118.2	80%	0.804	63%	0.634	S	S	*	*			trans	-66.4	133.5	170.7	-64.2	-171	148.8	0	0	109.8	P844	E842-P844 WeakPolarHBondContact O-CD 3.47Å
843	K	72.4	Confident	57.4	Low	115 Å²	115	109.4 Å²	109.4	50%	0.5	60%	0.598	S	S	.	*			trans	-112.2	80.7	-177	-78.7	171.1	154.8	-145.6	0	109.7	E841 Y845 G853 F854 T855	E841-K843 PolarHBondContact O-N 3.28Å; K843-Y845 PolarHBondContact O-N 2.93Å; K843-G853 VanDerWaalsContact CD-O 3.31Å; K843-G853 WeakPolarHBondContact CD-O 3.39Å; K843-G853 WeakPolarHBondContact CE-O 3.31Å; K843-G853 PolarHBondContact NZ-O 3.05Å; K843-F854 CarbonylContact C-O 3.56Å; K843-F854 WeakPolarHBondContact CA-O 3.29Å; K843-T855 HydrophobicContact CG-CG2 3.76Å
844	P	68.3	Low	60	Low	88 Å²	88	107.4 Å²	107.4	57%	0.571	57%	0.567	S	S	*	*			trans	-70.9	-11.4	-170.6	28.7	-36.5	0	0	0	114.2	E842	E842-P844 WeakPolarHBondContact O-CD 3.47Å
845	Y	72.3	Confident	62.3	Low	102 Å²	102	101.6 Å²	101.6	40%	0.4	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	97	-176	-53.4	-60.5	0	0	0	111.2	K843 F854 T855 V857	K843-Y845 PolarHBondContact O-N 2.93Å; Y845-F854 PolarHBondContact N-O 3.07Å; Y845-F854 PolarHBondContact O-N 3.18Å; Y845-T855 WeakPolarHBondContact CD2-O 3.46Å; Y845-T855 WeakPolarHBondContact CE2-O 3.32Å; Y845-V857 HydrophobicContact CD1-CG2 3.89Å; Y845-V857 HydrophobicContact CD2-CG2 3.82Å; Y845-V857 HydrophobicContact CE1-CG2 3.66Å; Y845-V857 HydrophobicContact CE2-CG2 3.58Å; Y845-V857 HydrophobicContact CG-CG2 3.97Å; Y845-V857 VanDerWaalsContact CZ-CG2 3.5Å
846	L	76.9	Confident	64.6	Low	115 Å²	115	102.4 Å²	102.4	60%	0.602	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.9	175.4	-61.4	170.7	0	0	0	111	P848 D852	L846-P848 WeakPolarHBondContact O-CD 3.25Å; L846-D852 CarbonylContact C-O 3.59Å; L846-D852 WeakPolarHBondContact CA-O 3.48Å
847	C	78.3	Confident	66.4	Low	3 Å²	3	100.6 Å²	100.6	2%	0.02	52%	0.523	C	S	.	.			trans	-74	121.3	174.1	-177.7	0	0	0	0	111.4	E849 C850 G851 D852 F854 L860	C847-E849 PolarHBondContact O-N 3.14Å; C847-C850 WeakPolarHBondContact CB-SG 3.45Å; C847-G851 VanDerWaalsContact O-CA 3.32Å; C847-G851 WeakPolarHBondContact O-CA 3.41Å; C847-G851 PolarHBondContact O-N 3.38Å; C847-D852 PolarHBondContact N-O 2.64Å; C847-F854 HydrophobicContact CB-CE2 4.13Å; C847-L860 HydrophobicContact CB-CD1 3.61Å
848	P	67.3	Low	68.5	Low	102 Å²	102	92.9 Å²	92.9	66%	0.662	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	179.2	-23.2	34.1	0	0	0	114.6	L846	L846-P848 WeakPolarHBondContact O-CD 3.25Å
849	E	78.8	Confident	70.6	Confident	74 Å²	74	88.9 Å²	88.9	35%	0.346	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-24.7	-174.2	-71.3	77	-163	0	0	114.5	C847 R864 H867	C847-E849 PolarHBondContact O-N 3.14Å; E849-R864 VanDerWaalsContact CD-NE 3.32Å; E849-R864 IonicContact OE1-CZ 3.93Å; E849-R864 IonicContact OE1-NE 4Å; E849-R864 PolarHBondContact OE1-NE 3.38Å; E849-R864 VanDerWaalsContact OE1-NE 3.12Å; E849-R864 IonicContact OE1-NH2 3.23Å; E849-R864 PolarHBondContact OE1-NH2 3.26Å; E849-R864 IonicContact OE2-CZ 3.85Å; E849-R864 IonicContact OE2-NE 3.43Å; E849-R864 PolarHBondContact OE2-NE 3.3Å; E849-R864 IonicContact OE2-NH2 3.23Å; E849-H867 WeakPolarHBondContact CB-NE2 3.42Å
850	C	79.6	Confident	72.6	Confident	61 Å²	61	78.9 Å²	78.9	41%	0.412	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-21.7	178.9	64.3	0	0	0	0	115.5	C847 D852 H863	C847-C850 WeakPolarHBondContact CB-SG 3.45Å; C850-D852 VanDerWaalsContact SG-CB 3.6Å; C850-D852 PolarHBondContact SG-N 3.19Å; C850-D852 VanDerWaalsContact SG-N 3.36Å; C850-D852 PolarHBondContact SG-OD2 2.8Å; C850-H863 PolarHBondContact SG-NE2 2.85Å
851	G	75.5	Confident	74.3	Confident	48 Å²	48	76.2 Å²	76.2	50%	0.495	42%	0.424	S	S	.	.			trans	92.5	-4.5	-174.4	0	0	0	0	0	115.7	C847	C847-G851 VanDerWaalsContact O-CA 3.32Å; C847-G851 WeakPolarHBondContact O-CA 3.41Å; C847-G851 PolarHBondContact O-N 3.38Å
852	D	81.1	Confident	75.6	Confident	84 Å²	84	75.6 Å²	75.6	45%	0.449	43%	0.425	S	S	.	.			trans	-63.7	139	-178.3	-73.6	-48.4	0	0	0	112.8	L846 C847 C850 F854 H863	L846-D852 CarbonylContact C-O 3.59Å; L846-D852 WeakPolarHBondContact CA-O 3.48Å; C847-D852 PolarHBondContact N-O 2.64Å; C850-D852 VanDerWaalsContact SG-CB 3.6Å; C850-D852 PolarHBondContact SG-N 3.19Å; C850-D852 VanDerWaalsContact SG-N 3.36Å; C850-D852 PolarHBondContact SG-OD2 2.8Å; D852-F854 HydrophobicContact CB-CE2 3.71Å; D852-F854 HydrophobicContact CB-CZ 3.94Å; D852-F854 WeakPolarHBondContact O-CD2 3.5Å; D852-F854 VanDerWaalsContact O-CE2 3.3Å; D852-F854 WeakPolarHBondContact O-CE2 3.34Å; D852-H863 IonicContact OD2-CE1 3.13Å; D852-H863 IonicContact OD2-NE2 3.6Å
853	G	77.9	Confident	76.7	Confident	19 Å²	19	70 Å²	70	20%	0.196	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.7	-177.1	0	0	0	0	0	114.5	K843	K843-G853 VanDerWaalsContact CD-O 3.31Å; K843-G853 WeakPolarHBondContact CD-O 3.39Å; K843-G853 WeakPolarHBondContact CE-O 3.31Å; K843-G853 PolarHBondContact NZ-O 3.05Å
854	F	82.9	Confident	76.9	Confident	35 Å²	35	68.3 Å²	68.3	15%	0.154	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.2	-180	-58.2	-88.1	0	0	0	110.9	K843 Y845 C847 D852 A859 L860 H863	K843-F854 CarbonylContact C-O 3.56Å; K843-F854 WeakPolarHBondContact CA-O 3.29Å; Y845-F854 PolarHBondContact N-O 3.07Å; Y845-F854 PolarHBondContact O-N 3.18Å; C847-F854 HydrophobicContact CB-CE2 4.13Å; D852-F854 HydrophobicContact CB-CE2 3.71Å; D852-F854 HydrophobicContact CB-CZ 3.94Å; D852-F854 WeakPolarHBondContact O-CD2 3.5Å; D852-F854 VanDerWaalsContact O-CE2 3.3Å; D852-F854 WeakPolarHBondContact O-CE2 3.34Å; F854-A859 HydrophobicContact CB-CB 4.49Å; F854-A859 HydrophobicContact CD1-CB 3.86Å; F854-L860 HydrophobicContact CB-CB 4.17Å; F854-L860 HydrophobicContact CD2-CB 3.98Å; F854-L860 HydrophobicContact CD2-CD1 4.01Å; F854-L860 HydrophobicContact CE2-CD1 4.25Å; F854-L860 HydrophobicContact CG-CB 4.11Å; F854-H863 HydrophobicContact CE1-CB 3.98Å; F854-H863 HydrophobicContact CE2-CB 4.26Å; F854-H863 HydrophobicContact CZ-CB 3.6Å; F854-H863 AromaticContact CZ-CD2 3.79Å; F854-H863 AromaticContact CZ-CG 3.41Å; F854-H863 VanDerWaalsContact CZ-CG 3.41Å; F854-H863 AromaticContact CZ-ND1 3.63Å
855	T	77.8	Confident	76.9	Confident	59 Å²	59	67 Å²	67	36%	0.362	38%	0.382	S	S	.	.	S	Bend	trans	-76.8	-31.5	172.4	42.7	0	0	0	0	111.7	E841 K843 Y845	E841-T855 HydrophobicContact CB-CG2 4.19Å; K843-T855 HydrophobicContact CG-CG2 3.76Å; Y845-T855 WeakPolarHBondContact CD2-O 3.46Å; Y845-T855 WeakPolarHBondContact CE2-O 3.32Å
856	E	79.3	Confident	76.8	Confident	125 Å²	125	66.9 Å²	66.9	58%	0.584	40%	0.395	S	S	*	.	S	Bend	trans	-120.7	142	-177.9	-64.4	-171.9	174.1	0	0	113.4	A858 A859 L860	E856-A858 VanDerWaalsContact C-N 3.26Å; E856-A858 PolarHBondContact O-N 3.29Å; E856-A859 PolarHBondContact O-N 3.01Å; E856-L860 PolarHBondContact O-N 3.27Å
857	V	75	Confident	76.7	Confident	68 Å²	68	63.7 Å²	63.7	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-33.6	175.5	-175.3	0	0	0	0	111.9	Y845 L860 L861	Y845-V857 HydrophobicContact CD1-CG2 3.89Å; Y845-V857 HydrophobicContact CD2-CG2 3.82Å; Y845-V857 HydrophobicContact CE1-CG2 3.66Å; Y845-V857 HydrophobicContact CE2-CG2 3.58Å; Y845-V857 HydrophobicContact CG-CG2 3.97Å; Y845-V857 VanDerWaalsContact CZ-CG2 3.5Å; V857-L860 PolarHBondContact O-N 3.46Å; V857-L861 HydrophobicContact CG1-CD1 4.02Å; V857-L861 HydrophobicContact CG1-CG 4.26Å; V857-L861 WeakPolarHBondContact O-CG 3.48Å; V857-L861 PolarHBondContact O-N 2.89Å
858	A	78.4	Confident	75.3	Confident	58 Å²	58	70 Å²	70	48%	0.479	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-43.2	178.4	0	0	0	0	0	112.1	E856 L861 L862	E856-A858 VanDerWaalsContact C-N 3.26Å; E856-A858 PolarHBondContact O-N 3.29Å; A858-L861 PolarHBondContact O-N 3.22Å; A858-L862 PolarHBondContact O-N 3.09Å
859	A	75.8	Confident	74.8	Confident	39 Å²	39	69.1 Å²	69.1	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-41.6	176	0	0	0	0	0	111.8	F854 E856 L862 H863	F854-A859 HydrophobicContact CB-CB 4.49Å; F854-A859 HydrophobicContact CD1-CB 3.86Å; E856-A859 PolarHBondContact O-N 3.01Å; A859-L862 PolarHBondContact O-N 3.3Å; A859-H863 WeakPolarHBondContact O-CB 3.35Å; A859-H863 PolarHBondContact O-N 3.45Å
860	L	80.4	Confident	73.5	Confident	22 Å²	22	68 Å²	68	12%	0.115	43%	0.426	C	S	.	.	H	α-helix	trans	-58.8	-47.2	172.7	168.2	59.2	0	0	0	111.7	C847 F854 E856 V857 H863 R864	C847-L860 HydrophobicContact CB-CD1 3.61Å; F854-L860 HydrophobicContact CB-CB 4.17Å; F854-L860 HydrophobicContact CD2-CB 3.98Å; F854-L860 HydrophobicContact CD2-CD1 4.01Å; F854-L860 HydrophobicContact CE2-CD1 4.25Å; F854-L860 HydrophobicContact CG-CB 4.11Å; E856-L860 PolarHBondContact O-N 3.27Å; V857-L860 PolarHBondContact O-N 3.46Å; L860-H863 PolarHBondContact O-N 2.77Å; L860-R864 VanDerWaalsContact O-CB 3.27Å; L860-R864 WeakPolarHBondContact O-CB 3.47Å; L860-R864 PolarHBondContact O-N 3.46Å
861	L	76.3	Confident	71.9	Confident	75 Å²	75	70.3 Å²	70.3	39%	0.393	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-41.3	-180	-70.6	171.5	0	0	0	112.1	V857 A858 R864 S865 L872	V857-L861 HydrophobicContact CG1-CD1 4.02Å; V857-L861 HydrophobicContact CG1-CG 4.26Å; V857-L861 WeakPolarHBondContact O-CG 3.48Å; V857-L861 PolarHBondContact O-N 2.89Å; A858-L861 PolarHBondContact O-N 3.22Å; L861-R864 PolarHBondContact O-N 3.05Å; L861-S865 PolarHBondContact O-N 3.17Å; L861-L872 HydrophobicContact CB-CD2 3.93Å; L861-L872 HydrophobicContact CD2-CD2 3.76Å; L861-L872 HydrophobicContact CG-CD2 4.41Å
862	L	77.7	Confident	70.2	Confident	124 Å²	124	75.6 Å²	75.6	65%	0.649	46%	0.459	S	S	*	.	H	α-helix	trans	-60.5	-49.2	173.2	-102.5	144	0	0	0	111.8	A858 A859 R864 S865	A858-L862 PolarHBondContact O-N 3.09Å; A859-L862 PolarHBondContact O-N 3.3Å; L862-R864 VanDerWaalsContact C-N 3.28Å; L862-R864 PolarHBondContact O-N 3.09Å; L862-S865 WeakPolarHBondContact O-CB 3.39Å; L862-S865 PolarHBondContact O-N 2.98Å; L862-S865 PolarHBondContact O-OG 3.07Å
863	H	79.8	Confident	69.6	Low	53 Å²	53	75.2 Å²	75.2	25%	0.245	46%	0.459	C	S	.	.	H	α-helix	trans	-59.4	-40.1	175.3	178.7	92.4	0	0	0	111.9	C850 D852 F854 A859 L860 S865 C866 H867	C850-H863 PolarHBondContact SG-NE2 2.85Å; D852-H863 IonicContact OD2-CE1 3.13Å; D852-H863 IonicContact OD2-NE2 3.6Å; F854-H863 HydrophobicContact CE1-CB 3.98Å; F854-H863 HydrophobicContact CE2-CB 4.26Å; F854-H863 HydrophobicContact CZ-CB 3.6Å; F854-H863 AromaticContact CZ-CD2 3.79Å; F854-H863 AromaticContact CZ-CG 3.41Å; F854-H863 VanDerWaalsContact CZ-CG 3.41Å; F854-H863 AromaticContact CZ-ND1 3.63Å; A859-H863 WeakPolarHBondContact O-CB 3.35Å; A859-H863 PolarHBondContact O-N 3.45Å; L860-H863 PolarHBondContact O-N 2.77Å; H863-S865 PolarHBondContact O-N 3.41Å; H863-C866 VanDerWaalsContact O-CB 3.27Å; H863-C866 WeakPolarHBondContact O-CB 3.14Å; H863-C866 PolarHBondContact O-N 3.47Å; H863-H867 AromaticContact NE2-NE2 3.84Å
864	R	75.4	Confident	69.2	Low	80 Å²	80	78.1 Å²	78.1	30%	0.302	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-26.3	179.5	-157.1	174	-172.4	-139.3	-4.5	113.3	E849 L860 L861 L862 C866 H867 V870	E849-R864 VanDerWaalsContact CD-NE 3.32Å; E849-R864 IonicContact OE1-CZ 3.93Å; E849-R864 IonicContact OE1-NE 4Å; E849-R864 PolarHBondContact OE1-NE 3.38Å; E849-R864 VanDerWaalsContact OE1-NE 3.12Å; E849-R864 IonicContact OE1-NH2 3.23Å; E849-R864 PolarHBondContact OE1-NH2 3.26Å; E849-R864 IonicContact OE2-CZ 3.85Å; E849-R864 IonicContact OE2-NE 3.43Å; E849-R864 PolarHBondContact OE2-NE 3.3Å; E849-R864 IonicContact OE2-NH2 3.23Å; L860-R864 VanDerWaalsContact O-CB 3.27Å; L860-R864 WeakPolarHBondContact O-CB 3.47Å; L860-R864 PolarHBondContact O-N 3.46Å; L861-R864 PolarHBondContact O-N 3.05Å; L862-R864 VanDerWaalsContact C-N 3.28Å; L862-R864 PolarHBondContact O-N 3.09Å; R864-C866 PolarHBondContact O-N 3.32Å; R864-H867 PolarHBondContact O-N 3.31Å; R864-V870 HydrophobicContact CG-CG1 4.3Å
865	S	69	Low	68.4	Low	60 Å²	60	80.5 Å²	80.5	42%	0.42	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.3	172.2	79.7	0	0	0	0	113.8	L861 L862 H863 H867	L861-S865 PolarHBondContact O-N 3.17Å; L862-S865 WeakPolarHBondContact O-CB 3.39Å; L862-S865 PolarHBondContact O-N 2.98Å; L862-S865 PolarHBondContact O-OG 3.07Å; H863-S865 PolarHBondContact O-N 3.41Å; S865-H867 VanDerWaalsContact C-N 3.3Å
866	C	69.9	Low	67.9	Low	100 Å²	100	81.8 Å²	81.8	68%	0.676	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.5	175.3	-56.7	0	0	0	0	113.1	H863 R864 P868	H863-C866 VanDerWaalsContact O-CB 3.27Å; H863-C866 WeakPolarHBondContact O-CB 3.14Å; H863-C866 PolarHBondContact O-N 3.47Å; R864-C866 PolarHBondContact O-N 3.32Å; C866-P868 WeakPolarHBondContact O-CD 3.42Å
867	H	74.8	Confident	67.2	Low	48 Å²	48	79.1 Å²	79.1	22%	0.222	49%	0.493	C	S	.	.	S	Bend	trans	-82.8	116	176	-74.9	-70	0	0	0	111.5	E849 H863 R864 S865 G869 V870	E849-H867 WeakPolarHBondContact CB-NE2 3.42Å; H863-H867 AromaticContact NE2-NE2 3.84Å; R864-H867 PolarHBondContact O-N 3.31Å; S865-H867 VanDerWaalsContact C-N 3.3Å; H867-G869 PolarHBondContact O-N 3.49Å; H867-G869 VanDerWaalsContact O-N 3.09Å; H867-V870 HydrophobicContact CB-CG2 4.18Å; H867-V870 PolarHBondContact O-N 2.95Å
868	P	49.2	Very low	66.7	Low	135 Å²	135	79.8 Å²	79.8	88%	0.877	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	113.1	-172.8	26.7	-34.5	0	0	0	111.6	C866	C866-P868 WeakPolarHBondContact O-CD 3.42Å
869	G	55.9	Low	65.8	Low	85 Å²	85	81.4 Å²	81.4	88%	0.876	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.9	-6.2	179.9	0	0	0	0	0	114.8	H867	H867-G869 PolarHBondContact O-N 3.49Å; H867-G869 VanDerWaalsContact O-N 3.09Å
870	V	51.9	Low	65	Low	49 Å²	49	84.6 Å²	84.6	30%	0.297	51%	0.513	S	S	.	.			trans	-94.1	118.9	171.2	-172.4	0	0	0	0	109.5	R864 H867	R864-V870 HydrophobicContact CG-CG1 4.3Å; H867-V870 HydrophobicContact CB-CG2 4.18Å; H867-V870 PolarHBondContact O-N 2.95Å
871	S	45.1	Very low	63.8	Low	110 Å²	110	89.8 Å²	89.8	77%	0.769	55%	0.547	S	S	*	.			trans	-88.7	129.9	161.1	56.2	0	0	0	0	109
872	L	40.3	Very low	62.6	Low	159 Å²	159	91.2 Å²	91.2	83%	0.832	56%	0.561	S	S	*	*			trans	-64	0	168.3	-80.3	172.1	0	0	0	111.9	L861	L861-L872 HydrophobicContact CB-CD2 3.93Å; L861-L872 HydrophobicContact CD2-CD2 3.76Å; L861-L872 HydrophobicContact CG-CD2 4.41Å

Retrieved 872 of 872 residues in 168.5 ms (Link to these results)

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