A0A5K4F5S8_SCHMA Loading...

Subfamily M12B unassigned peptidase (M12 family)

AlphaFold DB , UniProt , Accession A0A5K4F5S8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,084 aa.

						>A0A5K4F5S8_SCHMA|A0A5K4F5S8
MHIFHICLFLGNIALLINVGDQIHLMTFDSPNLSEYNEVGSRNIISCELFSSNVTTSLKKCSQPLYIHGFDQFTGNTFGQFYENLFCVTGYSLQVDNLKFISETSKNNVYGLFFLSKNKLKGYVNISSSEIYPSGCTILIESINQELRRNENNPIYPTTVCHLFGATYNSTIFPLNVTILENDTETFSNVQRWNQILPSGKISKFHSSNNSINSTSSTNVQIFNSYDRSNNIARRVKRSSISMTNTSILDTVHVFHRPDESQTYVVELFMVVDETMAAEFRGRYHQLVSRINMIIALVNELFAPFNIVIVIVRLEIWEQDRVSLKVEEHHLLTALAQFKRMHANVRHDCLHALLGTKEQGSRTRGKANHMTMCIYSRCVGYSRVSPTFDIIETARTIAHELGHNFGLRHDTEECECQGCIMATGVEFGTTVMKWSPCSKRDLPGLLKHGMGVCLHDLPASGTVTVNSFVPNSKTSTHRKNNNNNNSTPSVVHIYDWQSEAKRIPVSRVLTIRQHHSVLSVEKYSNGLCGNGVLDPGEECDCGTQTSCPKKWQACCDPVRCRLRGNSQCAGGPCCDIIKKDSLENVNQSASFYCKLKPSGTICRNESGTCDLPEYCDGRSQWCPADVYKIDGQLCYTDEGRRAHCIRGGCREADGWCRVLWGKTARLADKHCFYENEVKSRKSNVDSVANCGVHRPLSKNRWEDVKTWTGIACETWHDTSCGRLWCHHQNEKAMLLGWIQSQTRVIHSSGRSCSALVYDPVWPASDTATWDVNNLVQINANGAGVGLYSANTQDAGMVPDGTPCSRGFCYNGSCKSIDIVRPLYSCYCNGHGICNNLGHCHCSPGYKPPYCEEDGNGGSVDSGPPPISRIKDNTLLVVICILFFVILPIIGFGVYYVFIRSGRCLLSTSKEFIYTSSGLRKPFDKNCTECFCQLFSFLASFTELFTRSIRTTVIDGSNTVTVSNMTKSKIQNKVTDSKNRTPYLHSQPPIQKSQRIRNSSTVKPMVTVISHPTVNYQTVLTDQLNQKQSALNQCPRREQLPTSVESKQLAHKTPCSLVHQQKIARSQKTNISEQIKTASSKKIVK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	28.7	Very low	201 Å²	201	151.9 Å²	151.9	99%	0.99	79%	0.792	S	S	*	*				0	128.6	0	-86.4	179	169.8	0	0	107.4
2	H	32.2	Very low	28.9	Very low	155 Å²	155	153.3 Å²	153.3	72%	0.718	80%	0.801	S	S	*	*			cis	-143.1	140.6	3.8	-73.3	-84.6	0	0	0	108.9
3	I	28.7	Very low	28.7	Very low	143 Å²	143	152.9 Å²	152.9	73%	0.733	80%	0.798	S	S	*	*	S	Bend	cis	-140.4	107.3	-15.6	-77.5	143.7	0	0	0	106.1
4	F	30.4	Very low	28.4	Very low	204 Å²	204	147.9 Å²	147.9	90%	0.895	79%	0.79	S	S	*	*			trans	-175.5	70.4	149.4	-119.6	-77	0	0	0	108
5	H	29.7	Very low	28.2	Very low	122 Å²	122	148.1 Å²	148.1	57%	0.565	79%	0.79	S	S	*	*			trans	-143.9	48.6	-164.3	-162	-69.5	0	0	0	111.6
6	I	27.4	Very low	28.1	Very low	158 Å²	158	147.2 Å²	147.2	81%	0.81	78%	0.784	S	S	*	*			trans	-146.5	104.7	177.2	-56.5	177.6	0	0	0	104.1
7	C	26.1	Very low	28	Very low	111 Å²	111	146.7 Å²	146.7	75%	0.75	78%	0.78	S	S	*	*	S	Bend	cis	-134.1	146.5	7.8	-67.3	0	0	0	0	111.6
8	L	29.1	Very low	27.7	Very low	173 Å²	173	146.6 Å²	146.6	91%	0.906	78%	0.78	S	S	*	*			trans	122.1	70.4	168.5	-72.1	165.9	0	0	0	114.2
9	F	26.4	Very low	27.8	Very low	151 Å²	151	145.5 Å²	145.5	66%	0.662	78%	0.779	S	S	*	*			trans	-155.5	66.6	159.7	-135.3	-82.5	0	0	0	112.5
10	L	26.7	Very low	27.6	Very low	182 Å²	182	141.5 Å²	141.5	95%	0.953	77%	0.773	S	S	*	*			trans	-142.9	104.6	161.6	-74.4	-180	0	0	0	106.8
11	G	28	Very low	27.7	Very low	71 Å²	71	142.8 Å²	142.8	73%	0.732	78%	0.779	S	S	*	*	S	Bend	trans	-178.8	28.6	-166.8	0	0	0	0	0	116.7
12	N	31.2	Very low	27.5	Very low	169 Å²	169	140.7 Å²	140.7	90%	0.904	77%	0.767	S	S	*	*			trans	66.8	146.2	172.1	-62.2	-15.1	0	0	0	119.3
13	I	26.2	Very low	27.3	Very low	148 Å²	148	141.7 Å²	141.7	76%	0.759	78%	0.776	S	S	*	*			trans	-135.2	134.5	174.9	-80.5	177	0	0	0	108.6
14	A	24.8	Very low	27	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	77%	0.773	S	S	*	*			trans	69.5	169	157.8	0	0	0	0	0	121.2
15	L	25.6	Very low	26.8	Very low	151 Å²	151	139.2 Å²	139.2	79%	0.791	77%	0.768	S	S	*	*			trans	74.6	137.2	172	-89.6	68.2	0	0	0	115.5
16	L	26.3	Very low	26.6	Very low	134 Å²	134	140.4 Å²	140.4	70%	0.702	78%	0.776	S	S	*	*			cis	-148.8	161.3	9.4	-88.8	137.8	0	0	0	112.5
17	I	26.2	Very low	26.5	Very low	139 Å²	139	138.2 Å²	138.2	71%	0.713	77%	0.769	S	S	*	*			trans	52.7	120.6	142.8	-67.8	170.2	0	0	0	118.6
18	N	23.1	Very low	26.5	Very low	145 Å²	145	141.3 Å²	141.3	78%	0.775	77%	0.77	S	S	*	*			cis	90.8	154.9	46.1	-172.7	44.1	0	0	0	113.9
19	V	29.7	Very low	26.4	Very low	125 Å²	125	139.5 Å²	139.5	76%	0.758	76%	0.762	S	S	*	*			trans	74.8	128.8	-172.1	-167.4	0	0	0	0	113.4
20	G	24.3	Very low	26.4	Very low	65 Å²	65	137.4 Å²	137.4	67%	0.67	77%	0.766	S	S	*	*			cis	120.4	114.7	-11.1	0	0	0	0	0	114
21	D	28.9	Very low	26.8	Very low	169 Å²	169	133.7 Å²	133.7	90%	0.904	75%	0.753	S	S	*	*			trans	-155.4	154.5	168.6	-121.3	-29.9	0	0	0	112.2
22	Q	25.8	Very low	26.5	Very low	158 Å²	158	137.3 Å²	137.3	74%	0.738	76%	0.755	S	S	*	*			trans	-128.9	145.1	176.5	-73.2	-172.2	-53.8	0	0	110.8
23	I	29.1	Very low	26.3	Very low	175 Å²	175	137 Å²	137	90%	0.897	75%	0.753	S	S	*	*			trans	-131.2	131.2	150.8	-63.1	-175.2	0	0	0	108.8
24	H	23.1	Very low	26.1	Very low	147 Å²	147	134.2 Å²	134.2	68%	0.681	75%	0.746	S	S	*	*			trans	-82.5	156.1	177.3	-95	-112.6	0	0	0	112.2
25	L	25.9	Very low	26	Very low	148 Å²	148	139 Å²	139	78%	0.775	76%	0.755	S	S	*	*			trans	-159.2	109.9	134.1	-107.3	165.4	0	0	0	111.8
26	M	25.6	Very low	26.1	Very low	148 Å²	148	142.6 Å²	142.6	73%	0.729	76%	0.759	S	S	*	*			trans	49.8	102.3	143.8	-73.4	171.3	-170.9	0	0	119.8
27	T	23.8	Very low	26	Very low	111 Å²	111	142.4 Å²	142.4	68%	0.681	76%	0.759	S	S	*	*				78.8	145.5	87.4	56.4	0	0	0	0	114.6
28	F	27	Very low	25.9	Very low	176 Å²	176	144.3 Å²	144.3	77%	0.772	77%	0.765	S	S	*	*			cis	-137.2	151.1	19.1	-104	-80.9	0	0	0	113.1
29	D	27	Very low	26	Very low	135 Å²	135	144.1 Å²	144.1	72%	0.722	77%	0.769	S	S	*	*			trans	16.5	159.6	148.1	-61.1	0.4	0	0	0	123
30	S	25.8	Very low	25.8	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	76%	0.764	S	S	*	*			cis	155.1	160	-23.4	-91	0	0	0	0	108.7
31	P	35.1	Very low	25.9	Very low	105 Å²	105	143.4 Å²	143.4	68%	0.682	77%	0.769	S	S	*	*			trans	-131.3	179.4	-141.8	44.4	-31.5	0	0	0	118.7
32	N	22.5	Very low	25.6	Very low	146 Å²	146	146.7 Å²	146.7	78%	0.781	77%	0.769	S	S	*	*			trans	74.4	126.4	155.9	-61	-23.6	0	0	0	120.6
33	L	25.6	Very low	25.5	Very low	164 Å²	164	146 Å²	146	86%	0.859	77%	0.77	S	S	*	*				-161.6	157.7	112.5	-132.9	71.1	0	0	0	115.4
34	S	22.9	Very low	25.2	Very low	89 Å²	89	145.1 Å²	145.1	62%	0.622	77%	0.766	S	S	*	*			trans	-14.9	128	168.2	54.6	0	0	0	0	122.8
35	E	23.6	Very low	25.2	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	77%	0.772	S	S	*	*				49.5	110.7	112.7	-166.2	171.7	-125.1	0	0	120.2
36	Y	27.4	Very low	25	Very low	225 Å²	225	143.4 Å²	143.4	88%	0.882	77%	0.769	S	S	*	*			trans	-156.3	172.1	145.5	-126.5	-89.2	0	0	0	111.2
37	N	24.1	Very low	24.7	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	77%	0.772	S	S	*	*			trans	-79.9	158.3	-162	-69.7	-28	0	0	0	118
38	E	24.1	Very low	24.7	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	78%	0.782	S	S	*	*			trans	75	138.5	141.8	-87.9	-179.4	163.9	0	0	122.9
39	V	25.2	Very low	24.5	Very low	141 Å²	141	145 Å²	145	86%	0.855	79%	0.785	S	S	*	*			trans	64.2	126.7	158.5	179.8	0	0	0	0	119.1
40	G	25.7	Very low	24.4	Very low	63 Å²	63	148.1 Å²	148.1	65%	0.649	79%	0.793	S	S	*	*			trans	112.1	23.8	140.5	0	0	0	0	0	119.6	R42	G40-R42 PolarHBondContact O-N 3.49Å
41	S	25.2	Very low	24.4	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	80%	0.796	S	S	*	*			trans	-65.9	80	-178.5	-52.3	0	0	0	0	115.2	N43	S41-N43 PolarHBondContact O-N 2.95Å
42	R	23.1	Very low	24.1	Very low	237 Å²	237	149.1 Å²	149.1	89%	0.894	80%	0.802	S	S	*	*			trans	-73.2	92.5	151.9	-79.8	-176.4	172.8	177.1	-0.8	108.9	G40 I44	G40-R42 PolarHBondContact O-N 3.49Å; R42-I44 PolarHBondContact O-N 3.13Å
43	N	24.5	Very low	24.2	Very low	143 Å²	143	149.2 Å²	149.2	77%	0.765	80%	0.802	S	S	*	*			trans	-83.7	111.9	172.3	-77.9	9.6	0	0	0	110.7	S41	S41-N43 PolarHBondContact O-N 2.95Å
44	I	21.4	Very low	24.1	Very low	157 Å²	157	148.1 Å²	148.1	81%	0.805	80%	0.802	S	S	*	*			trans	-69.4	137.3	164.4	-65.2	161	0	0	0	107.8	R42	R42-I44 PolarHBondContact O-N 3.13Å
45	I	23.5	Very low	24.1	Very low	158 Å²	158	149.5 Å²	149.5	81%	0.81	81%	0.807	S	S	*	*			trans	-115.8	125.4	158.6	-63.4	179.9	0	0	0	106.5
46	S	21.3	Very low	24.2	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	81%	0.809	S	S	*	*			trans	-83.2	134.2	-177.2	49.4	0	0	0	0	111.7
47	C	20	Very low	24	Very low	116 Å²	116	142.1 Å²	142.1	78%	0.784	80%	0.803	S	S	*	*			trans	-104.9	123.5	157.1	-63.4	0	0	0	0	108.1
48	E	23	Very low	23.8	Very low	194 Å²	194	144.6 Å²	144.6	91%	0.907	82%	0.815	S	S	*	*			trans	-87.4	145.5	160.7	-70.8	-167	132	0	0	109.7
49	L	23.1	Very low	23.9	Very low	158 Å²	158	145.7 Å²	145.7	83%	0.827	82%	0.817	S	S	*	*			trans	-126.2	145.9	-174.5	-85.8	159.9	0	0	0	109.4
50	F	25.5	Very low	23.8	Very low	201 Å²	201	148.8 Å²	148.8	88%	0.882	82%	0.819	S	S	*	*			trans	-128.2	104.9	165.4	-104.2	-81.7	0	0	0	111
51	S	26.5	Very low	23.8	Very low	116 Å²	116	151.8 Å²	151.8	81%	0.811	83%	0.828	S	S	*	*	S	Bend	trans	59.9	140.7	169.6	62.5	0	0	0	0	117.9
52	S	27.9	Very low	23.8	Very low	117 Å²	117	151.5 Å²	151.5	82%	0.818	83%	0.827	S	S	*	*			cis	-136.9	159.9	7.9	56.1	0	0	0	0	112.8
53	N	24.7	Very low	24	Very low	147 Å²	147	149.2 Å²	149.2	79%	0.786	83%	0.826	S	S	*	*			trans	-80.3	139.3	-163.1	-53.2	-33.5	0	0	0	115
54	V	24.6	Very low	24.1	Very low	141 Å²	141	148.6 Å²	148.6	86%	0.855	83%	0.83	S	S	*	*				-139.1	136.9	122.4	-177.9	0	0	0	0	107.9
55	T	21.7	Very low	24.4	Very low	118 Å²	118	149.1 Å²	149.1	72%	0.724	83%	0.834	S	S	*	*			trans	-138.6	133	-175.6	52.6	0	0	0	0	112.4
56	T	25	Very low	24.5	Very low	146 Å²	146	151.8 Å²	151.8	90%	0.896	84%	0.835	S	S	*	*			trans	-148.5	149.9	160.7	5.7	0	0	0	0	112.4
57	S	23.7	Very low	24.8	Very low	108 Å²	108	153.9 Å²	153.9	76%	0.755	84%	0.836	S	S	*	*			trans	-80	142.8	-160.7	55	0	0	0	0	116.4
58	L	21.3	Very low	25.2	Very low	182 Å²	182	157 Å²	157	95%	0.953	84%	0.839	S	S	*	*			trans	-77.1	138.9	153.4	-81	161.2	0	0	0	110.7
59	K	24.7	Very low	25.4	Very low	201 Å²	201	150.9 Å²	150.9	87%	0.874	83%	0.828	S	S	*	*			trans	-142.5	149.3	167.8	-146.4	174.2	-173.4	179.7	0	110.5
60	K	22.6	Very low	25.6	Very low	206 Å²	206	153.5 Å²	153.5	90%	0.896	83%	0.833	S	S	*	*			trans	-106.5	127.9	-168.1	-167.4	-178.9	-174.9	-176	0	110.4
61	C	26	Very low	25.6	Very low	126 Å²	126	149.9 Å²	149.9	85%	0.851	82%	0.823	S	S	*	*			trans	-122.9	164.2	176.6	-69.2	0	0	0	0	111.3
62	S	25.2	Very low	25.7	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	82%	0.823	S	S	*	*			trans	-141.7	139.9	-158.1	52	0	0	0	0	113.8
63	Q	27.2	Very low	25.7	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	83%	0.83	S	S	*	*			trans	63.9	133.6	170.4	-63.7	-177.8	-18	0	0	117.1
64	P	26.6	Very low	25.8	Very low	130 Å²	130	156.5 Å²	156.5	84%	0.844	83%	0.829	S	S	*	*			trans	-88.2	150.2	167.7	36	-32.3	0	0	0	111.1
65	L	28.8	Very low	26	Very low	169 Å²	169	153.2 Å²	153.2	89%	0.885	82%	0.824	S	S	*	*			trans	-121	134.4	173.1	-140.1	153.6	0	0	0	109.3
66	Y	25.6	Very low	26.3	Very low	213 Å²	213	154.8 Å²	154.8	84%	0.835	83%	0.828	S	S	*	*			trans	-65.2	154.3	-176	-82.3	-120	0	0	0	112.8
67	I	27	Very low	26.4	Very low	146 Å²	146	154.6 Å²	154.6	75%	0.749	83%	0.826	S	S	*	*				178.5	133.4	111.5	-93.2	159.6	0	0	0	111.6
68	H	29.8	Very low	26.5	Very low	182 Å²	182	160.2 Å²	160.2	84%	0.843	84%	0.838	S	S	*	*			trans	27.6	139.9	157.2	-64.2	-114.4	0	0	0	121.7
69	G	27.2	Very low	26.8	Very low	65 Å²	65	154.7 Å²	154.7	67%	0.67	83%	0.825	S	S	*	*			cis	142.2	142.7	-4.8	0	0	0	0	0	113.5
70	F	26.6	Very low	27.1	Very low	213 Å²	213	153.3 Å²	153.3	93%	0.934	82%	0.822	S	S	*	*			trans	-153.5	119.6	156.3	-132.6	-81.1	0	0	0	109.8
71	D	25.5	Very low	27.5	Very low	125 Å²	125	152.6 Å²	152.6	67%	0.668	82%	0.819	S	S	*	*			trans	-77.9	146.2	178.4	-72.5	-77.4	0	0	0	112.1
72	Q	28.6	Very low	27.4	Very low	176 Å²	176	157.3 Å²	157.3	82%	0.822	82%	0.82	S	S	*	*				170.6	96.1	113.5	-91.9	-177.8	2.5	0	0	110.9
73	F	28.2	Very low	27.4	Very low	219 Å²	219	160.7 Å²	160.7	96%	0.961	82%	0.824	S	S	*	*			trans	-178.3	61.8	142.7	-99.4	-62.1	0	0	0	109
74	T	25.6	Very low	27.4	Very low	124 Å²	124	158.5 Å²	158.5	76%	0.761	82%	0.819	S	S	*	*			trans	-82.9	140.1	177	42.3	0	0	0	0	111.1
75	G	28.6	Very low	27.2	Very low	72 Å²	72	159.4 Å²	159.4	74%	0.742	82%	0.815	S	S	*	*			trans	-160.4	28.2	-169.2	0	0	0	0	0	116.3
76	N	27.9	Very low	27.1	Very low	152 Å²	152	160.9 Å²	160.9	81%	0.813	82%	0.815	S	S	*	*			trans	28.5	96	164.7	-64.9	-7.9	0	0	0	119.3
77	T	28	Very low	27	Very low	141 Å²	141	156 Å²	156	87%	0.865	81%	0.811	S	S	*	*				-167.8	81.3	127.6	13.1	0	0	0	0	111.8
78	F	25.6	Very low	26.9	Very low	226 Å²	226	156.3 Å²	156.3	99%	0.991	82%	0.819	S	S	*	*			trans	-139.7	133.3	161.6	-97.5	-83	0	0	0	109.3
79	G	28.3	Very low	26.8	Very low	66 Å²	66	153.8 Å²	153.8	68%	0.68	82%	0.817	S	S	*	*			trans	-159.6	118.6	175.6	0	0	0	0	0	110.9
80	Q	30.1	Very low	26.8	Very low	173 Å²	173	153.9 Å²	153.9	81%	0.808	82%	0.818	S	S	*	*	S	Bend	trans	61.6	118.3	171.9	-54.1	172.3	-12.3	0	0	114
81	F	30.5	Very low	26.6	Very low	191 Å²	191	155.5 Å²	155.5	84%	0.838	82%	0.819	S	S	*	*			cis	-144.7	146.7	32.6	-81	-97.9	0	0	0	112
82	Y	24.2	Very low	26.4	Very low	224 Å²	224	154.9 Å²	154.9	88%	0.878	83%	0.825	S	S	*	*			trans	-117.8	110	170.3	-86.3	-83.9	0	0	0	110.6
83	E	25.5	Very low	26.2	Very low	179 Å²	179	154.4 Å²	154.4	84%	0.836	83%	0.827	S	S	*	*			trans	-143.6	153.1	152.2	-72.3	-159.5	150.8	0	0	108.8
84	N	27	Very low	26	Very low	143 Å²	143	152.4 Å²	152.4	77%	0.765	82%	0.821	S	S	*	*			trans	77.3	54	-178.3	-48.3	-68.5	0	0	0	117.5
85	L	23.9	Very low	26.1	Very low	149 Å²	149	152 Å²	152	78%	0.78	82%	0.818	S	S	*	*			trans	-123.1	129.7	156.7	-143.8	80.1	0	0	0	110.5
86	F	24.7	Very low	26.1	Very low	200 Å²	200	156.1 Å²	156.1	88%	0.877	82%	0.823	S	S	*	*			trans	-123.1	132.7	176.1	-75.8	-84.3	0	0	0	110.4
87	C	24	Very low	26.2	Very low	110 Å²	110	156.6 Å²	156.6	74%	0.743	83%	0.825	S	S	*	*			trans	-110.4	140.3	175.4	-70.6	0	0	0	0	110.8
88	V	24.3	Very low	26.1	Very low	152 Å²	152	156.7 Å²	156.7	92%	0.921	82%	0.82	S	S	*	*			trans	-116.2	126.4	165.1	176.6	0	0	0	0	107.8
89	T	28.4	Very low	26.4	Very low	130 Å²	130	155.1 Å²	155.1	80%	0.798	81%	0.813	S	S	*	*			trans	-118.6	108.5	-175.7	50	0	0	0	0	111.5
90	G	26.5	Very low	26.5	Very low	67 Å²	67	160.1 Å²	160.1	69%	0.691	82%	0.816	S	S	*	*			trans	78.9	99.6	147.7	0	0	0	0	0	118.7
91	Y	23.1	Very low	26.5	Very low	246 Å²	246	159.2 Å²	159.2	97%	0.965	82%	0.815	S	S	*	*				-128.6	159.1	106.6	5.3	-86.8	0	0	0	109.6
92	S	22.1	Very low	26.6	Very low	113 Å²	113	155.3 Å²	155.3	79%	0.79	81%	0.811	S	S	*	*			trans	-101.9	133.3	-177.8	171.2	0	0	0	0	110.4
93	L	23.6	Very low	26.9	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	81%	0.81	S	S	*	*			trans	-143.1	162.5	150.4	-138.7	74.3	0	0	0	110
94	Q	25.2	Very low	27.2	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	81%	0.806	S	S	*	*	S	Bend	trans	-69.7	140.6	-151.4	-79.6	162.1	-85.3	0	0	117.3
95	V	26.8	Very low	27.3	Very low	117 Å²	117	149.1 Å²	149.1	71%	0.709	81%	0.807	S	S	*	*	S	Bend	trans	77.1	108.8	155.4	-178.4	0	0	0	0	118.3
96	D	27.9	Very low	27.8	Very low	158 Å²	158	151.6 Å²	151.6	85%	0.845	81%	0.811	S	S	*	*			trans	55.9	78.7	146.2	-57.8	-6	0	0	0	120.5
97	N	29.7	Very low	28.2	Very low	161 Å²	161	149.7 Å²	149.7	86%	0.861	81%	0.81	S	S	*	*			trans	-94.7	136.6	163.4	-83.2	-82.3	0	0	0	112.8
98	L	26.2	Very low	28.5	Very low	144 Å²	144	149.2 Å²	149.2	75%	0.754	80%	0.8	S	S	*	*			trans	-77.9	152.4	156.6	-79.9	164.7	0	0	0	110.1
99	K	31.7	Very low	28.9	Very low	192 Å²	192	146.6 Å²	146.6	84%	0.835	78%	0.784	S	S	*	*			trans	-137.1	125.6	177.2	-164.6	173.7	-175.1	179.2	0	111.8
100	F	31	Very low	29.3	Very low	171 Å²	171	146.9 Å²	146.9	75%	0.75	77%	0.772	S	S	*	*			trans	-90.1	144.2	179.1	-58.4	-90.4	0	0	0	111.1
101	I	31.2	Very low	29.7	Very low	155 Å²	155	145.5 Å²	145.5	80%	0.795	76%	0.757	S	S	*	*			trans	-135.3	138.2	168.2	-59	179.1	0	0	0	106.9
102	S	32.3	Very low	30.4	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	73%	0.732	S	S	*	*			trans	-136.6	132.2	176	-178	0	0	0	0	108.2
103	E	29	Very low	31.3	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	72%	0.722	S	S	*	*			trans	-144.4	148	177.8	-171.3	165.9	-138.2	0	0	108.7
104	T	31.4	Very low	32	Very low	120 Å²	120	134.2 Å²	134.2	74%	0.736	70%	0.696	S	S	*	*			trans	-140.7	121.3	-164.8	56.7	0	0	0	0	113.3
105	S	30.5	Very low	32.7	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	69%	0.688	S	S	*	*			trans	-153.5	130.1	149.6	75.8	0	0	0	0	112.4
106	K	33.1	Very low	33.4	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	68%	0.677	S	S	*	*	S	Bend	trans	45.2	113.9	162.6	-64	176.6	-179	173.6	0	118.6
107	N	33.4	Very low	34.2	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	68%	0.679	S	S	*	*	S	Bend	trans	74.7	128.6	180	-66.1	-5.4	0	0	0	115.1	V109	N107-V109 PolarHBondContact O-N 3.38Å
108	N	30.6	Very low	34.7	Very low	100 Å²	100	131.8 Å²	131.8	54%	0.535	68%	0.68	S	S	.	*			trans	-83.9	109.6	-160.6	-57.6	-19.1	0	0	0	113.3	S128	N108-S128 PolarHBondContact ND2-OG 2.99Å
109	V	33.8	Very low	35.2	Very low	96 Å²	96	132.3 Å²	132.3	58%	0.582	68%	0.676	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.3	124	153.2	171.2	0	0	0	0	107.2	N107 N125	N107-V109 PolarHBondContact O-N 3.38Å; V109-N125 VanDerWaalsContact CG1-OD1 3.25Å; V109-N125 WeakPolarHBondContact CG1-OD1 3.37Å
110	Y	35.8	Very low	35.7	Very low	137 Å²	137	127.9 Å²	127.9	54%	0.537	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.8	125.3	171.6	-54.5	-95.1	0	0	0	109.2	I126	Y110-I126 PolarHBondContact N-O 3.43Å; Y110-I126 PolarHBondContact O-N 3.39Å
111	G	35.5	Very low	36.4	Very low	37 Å²	37	127.2 Å²	127.2	38%	0.381	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.6	118.3	178.2	0	0	0	0	0	111.6	V124	G111-V124 WeakPolarHBondContact CA-O 3.38Å
112	L	38	Very low	36.8	Very low	83 Å²	83	121.1 Å²	121.1	44%	0.435	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	126.3	165.6	-82.6	165.1	0	0	0	109	Y123 V124 I126	L112-Y123 CarbonylContact O-C 3.54Å; L112-Y123 WeakPolarHBondContact O-CA 3.46Å; L112-V124 HydrophobicContact CB-CB 4.38Å; L112-V124 PolarHBondContact N-O 3.42Å; L112-V124 PolarHBondContact O-N 2.89Å; L112-I126 HydrophobicContact CD1-CD1 4.44Å
113	F	40.5	Very low	37.2	Very low	132 Å²	132	123.3 Å²	123.3	58%	0.579	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.2	128.1	-179.1	-62.3	-89	0	0	0	110.7	L120 Y123	F113-L120 HydrophobicContact CB-CD1 4.15Å; F113-L120 HydrophobicContact CD1-CD1 4.02Å; F113-Y123 HydrophobicContact CE1-CG 4.37Å
114	F	38.6	Very low	37.5	Very low	73 Å²	73	117.4 Å²	117.4	32%	0.32	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	116.4	178.6	-62.8	-85.7	0	0	0	109.8	K121 G122 V124	F114-K121 HydrophobicContact CB-CB 4.41Å; F114-K121 PolarHBondContact O-N 3.25Å; F114-G122 PolarHBondContact N-O 3.21Å; F114-V124 HydrophobicContact CE2-CG2 4.08Å
115	L	39	Very low	37.5	Very low	127 Å²	127	116.5 Å²	116.5	67%	0.665	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.2	131	179.1	-73.4	162.7	0	0	0	109.8	L120	L115-L120 HydrophobicContact CD2-CB 4.33Å; L115-L120 HydrophobicContact CD2-CD1 4.38Å
116	S	42.8	Very low	37.7	Very low	68 Å²	68	113.3 Å²	113.3	48%	0.476	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.8	132.6	171.5	-175.5	0	0	0	0	109.7	N118 K119	S116-N118 VanDerWaalsContact C-N 3.26Å; S116-N118 PolarHBondContact O-N 3.46Å; S116-K119 PolarHBondContact N-O 2.95Å; S116-K119 VanDerWaalsContact N-O 3.08Å; S116-K119 PolarHBondContact O-N 3.14Å
117	K	44.9	Very low	37.6	Very low	202 Å²	202	107.5 Å²	107.5	88%	0.878	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.6	48.9	-175	-59.6	-174.6	179.5	-177.7	0	112.7	K119	K117-K119 PolarHBondContact O-N 2.73Å; K117-K119 VanDerWaalsContact O-N 3.15Å
118	N	39.9	Very low	37.4	Very low	165 Å²	165	103.3 Å²	103.3	88%	0.882	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	23.8	-178.8	-62.2	0	0	0	0	115.8	S116	S116-N118 VanDerWaalsContact C-N 3.26Å; S116-N118 PolarHBondContact O-N 3.46Å
119	K	37.1	Very low	37.1	Very low	155 Å²	155	103 Å²	103	67%	0.674	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.4	168.9	-67.3	-169.2	176.5	-173	0	111.1	S116 K117 K121	S116-K119 PolarHBondContact N-O 2.95Å; S116-K119 VanDerWaalsContact N-O 3.08Å; S116-K119 PolarHBondContact O-N 3.14Å; K117-K119 PolarHBondContact O-N 2.73Å; K117-K119 VanDerWaalsContact O-N 3.15Å; K119-K121 PolarHBondContact O-N 3.45Å
120	L	41.2	Very low	36.7	Very low	99 Å²	99	107.1 Å²	107.1	52%	0.518	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.5	123	171.4	-174.8	68.5	0	0	0	108.9	F113 L115 G122	F113-L120 HydrophobicContact CB-CD1 4.15Å; F113-L120 HydrophobicContact CD1-CD1 4.02Å; L115-L120 HydrophobicContact CD2-CB 4.33Å; L115-L120 HydrophobicContact CD2-CD1 4.38Å; L120-G122 WeakPolarHBondContact CD1-O 3.44Å
121	K	45.7	Very low	36.3	Very low	156 Å²	156	106.7 Å²	106.7	68%	0.678	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.8	-17.9	179.2	-84	-73.1	-174.9	174.1	0	113.4	F114 K119	F114-K121 HydrophobicContact CB-CB 4.41Å; F114-K121 PolarHBondContact O-N 3.25Å; K119-K121 PolarHBondContact O-N 3.45Å
122	G	39.7	Very low	35.8	Very low	28 Å²	28	114.4 Å²	114.4	29%	0.289	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	171.9	166.8	173.4	0	0	0	0	0	111.5	F114 L120	F114-G122 PolarHBondContact N-O 3.21Å; L120-G122 WeakPolarHBondContact CD1-O 3.44Å
123	Y	40.4	Very low	35.3	Very low	154 Å²	154	116.2 Å²	116.2	60%	0.604	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136	150.8	167.7	74.2	-82.7	0	0	0	110.1	L112 F113 N125	L112-Y123 CarbonylContact O-C 3.54Å; L112-Y123 WeakPolarHBondContact O-CA 3.46Å; F113-Y123 HydrophobicContact CE1-CG 4.37Å; Y123-N125 HydrophobicContact CE2-CB 4.39Å
124	V	35.1	Very low	34.6	Very low	58 Å²	58	114.5 Å²	114.5	35%	0.352	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.6	124.3	174.3	175.7	0	0	0	0	108.3	G111 L112 F114 I126	G111-V124 WeakPolarHBondContact CA-O 3.38Å; L112-V124 HydrophobicContact CB-CB 4.38Å; L112-V124 PolarHBondContact N-O 3.42Å; L112-V124 PolarHBondContact O-N 2.89Å; F114-V124 HydrophobicContact CE2-CG2 4.08Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å
125	N	32.2	Very low	34.1	Very low	101 Å²	101	114.9 Å²	114.9	54%	0.54	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	178.2	178.3	-14.8	0	0	0	109.3	V109 Y123	V109-N125 VanDerWaalsContact CG1-OD1 3.25Å; V109-N125 WeakPolarHBondContact CG1-OD1 3.37Å; Y123-N125 HydrophobicContact CE2-CB 4.39Å
126	I	35.3	Very low	33.4	Very low	47 Å²	47	114.5 Å²	114.5	24%	0.241	63%	0.63	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	106.4	177.5	-55.9	168.3	0	0	0	108.7	Y110 L112 V124 I131	Y110-I126 PolarHBondContact N-O 3.43Å; Y110-I126 PolarHBondContact O-N 3.39Å; L112-I126 HydrophobicContact CD1-CD1 4.44Å; V124-I126 HydrophobicContact CG1-CG1 4.26Å; I126-I131 HydrophobicContact CG2-CD1 3.66Å
127	S	30.6	Very low	32.5	Very low	79 Å²	79	117.5 Å²	117.5	55%	0.552	65%	0.646	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-80	147.1	167.5	50.3	0	0	0	0	110.7	S129	S127-S129 PolarHBondContact O-N 3.46Å
128	S	28.4	Very low	31.5	Very low	73 Å²	73	113.2 Å²	113.2	51%	0.51	63%	0.631	S	S	.	*	S	Bend	trans	-85.3	70.7	-167.8	68.3	0	0	0	0	114.6	N108	N108-S128 PolarHBondContact ND2-OG 2.99Å
129	S	25.4	Very low	30.6	Very low	93 Å²	93	111.7 Å²	111.7	65%	0.65	62%	0.622	S	S	*	*	S	Bend	trans	-156.8	134.7	159.9	53.1	0	0	0	0	110.2	S127	S127-S129 PolarHBondContact O-N 3.46Å
130	E	25	Very low	30	Very low	183 Å²	183	110.2 Å²	110.2	86%	0.855	62%	0.621	S	S	*	*			trans	66.9	69.8	172.7	-53	-172.3	171.4	0	0	117.7
131	I	26.8	Very low	29.2	Very low	128 Å²	128	113.1 Å²	113.1	66%	0.656	63%	0.632	S	S	*	*			trans	-130.2	123	153.7	-62	-174.9	0	0	0	110.2	I126	I126-I131 HydrophobicContact CG2-CD1 3.66Å
132	Y	26.1	Very low	28.3	Very low	199 Å²	199	110.6 Å²	110.6	78%	0.78	63%	0.634	S	S	*	*			trans	-93.6	143.6	168.4	-75.1	-101.7	0	0	0	110.2	S134	Y132-S134 VanDerWaalsContact C-N 3.33Å; Y132-S134 PolarHBondContact O-N 3.4Å
133	P	25.8	Very low	27.6	Very low	121 Å²	121	116 Å²	116	79%	0.786	65%	0.654	S	S	*	*	S	Bend	trans	-80.9	76.5	177	33.7	-35.1	0	0	0	111.9
134	S	27.7	Very low	27	Very low	95 Å²	95	115 Å²	115	66%	0.664	66%	0.659	S	S	*	*	S	Bend	trans	-129.1	130	159.9	58.2	0	0	0	0	108.2	Y132 C136	Y132-S134 VanDerWaalsContact C-N 3.33Å; Y132-S134 PolarHBondContact O-N 3.4Å; S134-C136 PolarHBondContact O-N 2.94Å
135	G	26.6	Very low	26.8	Very low	81 Å²	81	120.7 Å²	120.7	84%	0.835	68%	0.682	S	S	*	*			trans	-58.3	125.1	-157.6	0	0	0	0	0	116.2
136	C	24.6	Very low	26.5	Very low	120 Å²	120	124.2 Å²	124.2	81%	0.811	70%	0.695	S	S	*	*			trans	-88.4	98.3	163.5	-73.9	0	0	0	0	110.1	S134 I138	S134-C136 PolarHBondContact O-N 2.94Å; C136-I138 PolarHBondContact O-N 3.24Å; C136-I138 VanDerWaalsContact O-N 3.15Å
137	T	24.2	Very low	26.2	Very low	131 Å²	131	128.4 Å²	128.4	80%	0.804	72%	0.717	S	S	*	*			trans	-72.4	100.5	164.5	-51.7	0	0	0	0	108.6	L139	T137-L139 PolarHBondContact O-N 3.02Å; T137-L139 VanDerWaalsContact O-N 3.12Å
138	I	23	Very low	26.1	Very low	111 Å²	111	134.8 Å²	134.8	57%	0.569	73%	0.729	S	S	*	*			trans	-76.2	100.4	176.6	-56.3	179.6	0	0	0	108.7	C136 I140	C136-I138 PolarHBondContact O-N 3.24Å; C136-I138 VanDerWaalsContact O-N 3.15Å; I138-I140 HydrophobicContact CG2-CD1 4.44Å; I138-I140 HydrophobicContact CG2-CG1 3.85Å; I138-I140 PolarHBondContact O-N 3.13Å
139	L	22.9	Very low	26.1	Very low	134 Å²	134	141.8 Å²	141.8	70%	0.702	75%	0.745	S	S	*	*			trans	-76.1	108.3	171.2	-144	83.9	0	0	0	108.9	T137 E141	T137-L139 PolarHBondContact O-N 3.02Å; T137-L139 VanDerWaalsContact O-N 3.12Å; L139-E141 HydrophobicContact CD2-CG 4.1Å; L139-E141 PolarHBondContact O-N 3.19Å
140	I	22.6	Very low	26.2	Very low	124 Å²	124	143.1 Å²	143.1	64%	0.636	74%	0.744	S	S	*	*			trans	-96.3	85.7	175.5	-53.9	-178.9	0	0	0	108.8	I138	I138-I140 HydrophobicContact CG2-CD1 4.44Å; I138-I140 HydrophobicContact CG2-CG1 3.85Å; I138-I140 PolarHBondContact O-N 3.13Å
141	E	24.6	Very low	26.3	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	74%	0.738	S	S	*	*			trans	-80.3	120.8	167.6	-71.4	-173.3	151.4	0	0	110.4	L139	L139-E141 HydrophobicContact CD2-CG 4.1Å; L139-E141 PolarHBondContact O-N 3.19Å
142	S	27.4	Very low	26.4	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	75%	0.748	S	S	*	*			trans	32.8	112.8	166.1	-159.6	0	0	0	0	119.9
143	I	24.4	Very low	26.4	Very low	140 Å²	140	141.2 Å²	141.2	72%	0.718	75%	0.75	S	S	*	*			trans	-114.5	93.5	159.1	-60.3	-180	0	0	0	109.9
144	N	28.6	Very low	26.7	Very low	133 Å²	133	140.5 Å²	140.5	71%	0.711	75%	0.745	S	S	*	*			trans	-178.4	137	157.6	-93.4	-13.7	0	0	0	105.8
145	Q	30.9	Very low	26.6	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	75%	0.752	S	S	*	*			cis	-153	170.6	-0.7	-146.2	168.2	-17.1	0	0	108.8
146	E	25.9	Very low	26.4	Very low	174 Å²	174	150 Å²	150	81%	0.813	75%	0.753	S	S	*	*			trans	-69.9	148	-174.7	-57.3	176.7	102.9	0	0	114.6
147	L	28.3	Very low	26.7	Very low	135 Å²	135	149.3 Å²	149.3	71%	0.707	75%	0.747	S	S	*	*				167.7	118.4	107.7	-85.8	168.2	0	0	0	115.4
148	R	28.7	Very low	26.6	Very low	213 Å²	213	148.9 Å²	148.9	80%	0.804	75%	0.745	S	S	*	*			trans	62.6	115.1	141.3	-63.5	179.2	-175.9	-167.8	2.2	123.6
149	R	28.2	Very low	26.6	Very low	220 Å²	220	149.5 Å²	149.5	83%	0.83	75%	0.753	S	S	*	*				82.4	121.7	126.1	-73	-170.4	175.5	-178.9	-2.3	123
150	N	27.8	Very low	26.6	Very low	121 Å²	121	148.3 Å²	148.3	65%	0.647	75%	0.751	S	S	*	*			trans	63.6	117.9	135.4	-67.8	61	0	0	0	122
151	E	27.8	Very low	26.5	Very low	154 Å²	154	148.6 Å²	148.6	72%	0.72	76%	0.763	S	S	*	*				50.3	100.4	127.8	-58.6	168.1	133.6	0	0	118.7
152	N	29	Very low	26.4	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	76%	0.763	S	S	*	*				-175	179.1	101.3	-98.6	-69.4	0	0	0	113.6
153	N	26.5	Very low	26.2	Very low	154 Å²	154	149.8 Å²	149.8	82%	0.824	76%	0.76	S	S	*	*			trans	-60.5	168.3	-166	-102.3	-17.6	0	0	0	118.2
154	P	31.3	Very low	26.3	Very low	106 Å²	106	152.5 Å²	152.5	69%	0.688	77%	0.767	S	S	*	*			trans	-99.9	170.3	-161.1	39.9	-38.6	0	0	0	116.2
155	I	25.5	Very low	26.1	Very low	157 Å²	157	149.7 Å²	149.7	81%	0.805	77%	0.77	S	S	*	*			trans	-166	129.2	152.8	-103	148.3	0	0	0	112
156	Y	22.9	Very low	25.9	Very low	220 Å²	220	146 Å²	146	86%	0.863	77%	0.77	S	S	*	*			trans	31.2	164.5	151.6	-69.3	-88.6	0	0	0	124.8
157	P	29.5	Very low	25.8	Very low	104 Å²	104	144.1 Å²	144.1	68%	0.675	77%	0.771	S	S	*	*			trans	-131.7	-157.5	-153	44.9	-27.7	0	0	0	116.2
158	T	22.2	Very low	25.8	Very low	123 Å²	123	147.7 Å²	147.7	76%	0.755	78%	0.776	S	S	*	*			trans	114.2	122.8	161.2	65.2	0	0	0	0	119.1
159	T	23.5	Very low	25.8	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	77%	0.773	S	S	*	*				19.6	152.8	126.5	-1.1	0	0	0	0	120.1
160	V	22.6	Very low	25.8	Very low	109 Å²	109	138.2 Å²	138.2	66%	0.661	77%	0.766	S	S	*	*			cis	-155.6	160	21	-161.3	0	0	0	0	110.2
161	C	21.1	Very low	25.7	Very low	130 Å²	130	138.8 Å²	138.8	88%	0.878	77%	0.774	S	S	*	*			trans	-171.1	157.4	130.7	-111.4	0	0	0	0	114.9
162	H	22.6	Very low	25.6	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.755	78%	0.775	S	S	*	*			trans	-108.7	-165	-177.6	-69.5	-106	0	0	0	111.4
163	L	23.2	Very low	25.4	Very low	126 Å²	126	140.5 Å²	140.5	66%	0.66	78%	0.777	S	S	*	*			cis	-164.5	-177.1	16.7	-153.9	126.3	0	0	0	112.4
164	F	26.2	Very low	25.5	Very low	196 Å²	196	137.4 Å²	137.4	86%	0.86	77%	0.765	S	S	*	*			trans	85.5	136.3	168.4	-58.2	-80.5	0	0	0	118.6
165	G	23.8	Very low	25.1	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	77%	0.77	S	S	*	*			cis	154.4	123.3	-16.5	0	0	0	0	0	116.3
166	A	26.3	Very low	25	Very low	102 Å²	102	139.2 Å²	139.2	84%	0.843	77%	0.77	S	S	*	*			trans	-161.8	154.6	161	0	0	0	0	0	110.3
167	T	24.4	Very low	24.9	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	76%	0.762	S	S	*	*			trans	-147.1	164	-167.1	52.2	0	0	0	0	113.4
168	Y	28.3	Very low	24.6	Very low	211 Å²	211	136 Å²	136	83%	0.827	77%	0.771	S	S	*	*			trans	-162.7	123.4	139	-114.4	-73.4	0	0	0	112.5
169	N	29.1	Very low	24.5	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	77%	0.769	S	S	*	*			trans	32.1	150.7	154.9	-65.9	2.1	0	0	0	122.9
170	S	27.6	Very low	24.4	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	77%	0.769	S	S	*	*			cis	175.7	147.1	-17.8	57.1	0	0	0	0	106
171	T	26.9	Very low	24.4	Very low	133 Å²	133	139.8 Å²	139.8	82%	0.816	77%	0.771	S	S	*	*			cis	-154.6	164.4	31.4	42.9	0	0	0	0	111.9
172	I	25	Very low	24.5	Very low	146 Å²	146	139.7 Å²	139.7	75%	0.749	76%	0.762	S	S	*	*			trans	-139.7	153.5	172.5	-67.1	168.8	0	0	0	108
173	F	24.6	Very low	24.7	Very low	205 Å²	205	138 Å²	138	90%	0.899	76%	0.758	S	S	*	*			trans	-164.2	157.7	148.8	-98	-45	0	0	0	112.7
174	P	29.9	Very low	24.8	Very low	89 Å²	89	137.2 Å²	137.2	58%	0.578	76%	0.759	S	S	*	*				-139.4	-179.8	-98	49.4	-37	0	0	0	118.8
175	L	22.4	Very low	24.8	Very low	150 Å²	150	135.9 Å²	135.9	79%	0.785	76%	0.756	S	S	*	*			trans	30.3	138.5	139.6	-85.3	94.9	0	0	0	122.6
176	N	23.8	Very low	24.8	Very low	152 Å²	152	137.3 Å²	137.3	81%	0.813	75%	0.75	S	S	*	*				-160.6	151.2	97.8	-108.2	-15.8	0	0	0	114.2
177	V	19.8	Very low	24.8	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.685	75%	0.752	S	S	*	*			trans	-147.7	137.6	176.4	173.9	0	0	0	0	109.4	I179	V177-I179 HydrophobicContact CG1-CD1 4.25Å; V177-I179 HydrophobicContact CG1-CG1 4.2Å
178	T	22.3	Very low	24.9	Very low	144 Å²	144	140 Å²	140	88%	0.883	74%	0.743	S	S	*	*			trans	-142.5	152.2	159.8	35.2	0	0	0	0	110.1
179	I	20.6	Very low	24.6	Very low	137 Å²	137	137.4 Å²	137.4	70%	0.703	74%	0.743	S	S	*	*			trans	-138.8	170.3	-171.7	-65.3	172.8	0	0	0	107.9	V177	V177-I179 HydrophobicContact CG1-CD1 4.25Å; V177-I179 HydrophobicContact CG1-CG1 4.2Å
180	L	22.5	Very low	24.5	Very low	143 Å²	143	138 Å²	138	75%	0.749	75%	0.751	S	S	*	*			trans	109.7	139.1	165.9	-59.8	168.7	0	0	0	114.3
181	E	23	Very low	24.4	Very low	153 Å²	153	142.1 Å²	142.1	72%	0.715	76%	0.76	S	S	*	*			cis	-166.7	153.2	-29	-132.4	170.8	-154.8	0	0	108.8
182	N	23	Very low	24.2	Very low	129 Å²	129	146.5 Å²	146.5	69%	0.69	76%	0.761	S	S	*	*			trans	32.5	149.1	153.3	-69.4	32.9	0	0	0	122.1
183	D	25.3	Very low	24.1	Very low	126 Å²	126	150.1 Å²	150.1	67%	0.674	77%	0.765	S	S	*	*			cis	-160.6	-167.4	7.2	-124.9	-43.9	0	0	0	107.8
184	T	26.8	Very low	24.1	Very low	110 Å²	110	146.1 Å²	146.1	68%	0.675	75%	0.753	S	S	*	*			cis	-153.5	-176.5	7.3	-6.5	0	0	0	0	112.3
185	E	26.1	Very low	24.1	Very low	169 Å²	169	149.4 Å²	149.4	79%	0.79	76%	0.761	S	S	*	*			trans	-14.2	162.1	151.8	-60.3	-171.2	167.9	0	0	121.7
186	T	23.3	Very low	24.2	Very low	105 Å²	105	149.8 Å²	149.8	64%	0.644	76%	0.762	S	S	*	*			cis	-165.7	156.7	-21.6	35.4	0	0	0	0	108.5
187	F	27.2	Very low	24.3	Very low	204 Å²	204	149.8 Å²	149.8	90%	0.895	76%	0.762	S	S	*	*			trans	165.3	178	134.3	-107	-91.2	0	0	0	112.8
188	S	25	Very low	24.9	Very low	88 Å²	88	149.4 Å²	149.4	62%	0.615	76%	0.761	S	S	*	*			trans	-122.3	150.4	-152.8	59.9	0	0	0	0	118
189	N	23	Very low	25.1	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	76%	0.758	S	S	*	*			trans	35.8	104.6	145.4	-64.1	-27.2	0	0	0	120.9
190	V	25.7	Very low	25.4	Very low	148 Å²	148	145 Å²	145	90%	0.897	76%	0.76	S	S	*	*			trans	-138.9	152.6	143.9	179.1	0	0	0	0	109.9
191	Q	25.4	Very low	25.6	Very low	185 Å²	185	147.7 Å²	147.7	86%	0.864	77%	0.766	S	S	*	*			trans	-85.8	160.1	-178.3	-65	179.9	-80.7	0	0	114.5
192	R	23.1	Very low	25.7	Very low	224 Å²	224	147.2 Å²	147.2	85%	0.845	77%	0.767	S	S	*	*			trans	-47.3	-179.2	169.7	-157.8	-179	-161.9	157.1	5.9	116
193	W	23.8	Very low	25.7	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.841	77%	0.767	S	S	*	*			trans	86.5	139.8	174.8	-53.8	91.7	0	0	0	112.6
194	N	25.1	Very low	25.6	Very low	121 Å²	121	148.4 Å²	148.4	65%	0.647	77%	0.772	S	S	*	*			cis	-146.3	-176.8	29.3	-96.2	-57.6	0	0	0	110.2
195	Q	28	Very low	25.5	Very low	159 Å²	159	151.6 Å²	151.6	74%	0.743	78%	0.777	S	S	*	*			cis	-152.9	-176.7	2.8	-122.6	143.7	31.9	0	0	106.8
196	I	25.9	Very low	25.5	Very low	157 Å²	157	151.6 Å²	151.6	81%	0.805	78%	0.777	S	S	*	*			cis	-141.7	144.4	33.4	-64.3	168.2	0	0	0	111.6
197	L	25.4	Very low	25.6	Very low	153 Å²	153	151.4 Å²	151.4	80%	0.801	78%	0.78	S	S	*	*			trans	-138.8	154.3	157.4	-108.7	168.4	0	0	0	105.2
198	P	32.5	Very low	25.7	Very low	104 Å²	104	146.8 Å²	146.8	68%	0.675	77%	0.773	S	S	*	*				-165.4	165.4	91.9	42.1	-21.4	0	0	0	119.7
199	S	26.7	Very low	26	Very low	118 Å²	118	149.3 Å²	149.3	83%	0.825	78%	0.779	S	S	*	*			trans	55.4	149.9	140.8	63.7	0	0	0	0	123.1
200	G	26.3	Very low	26.3	Very low	72 Å²	72	149 Å²	149	74%	0.742	78%	0.778	S	S	*	*			cis	157.1	176.4	-7.1	0	0	0	0	0	114.7
201	K	27.9	Very low	26.5	Very low	198 Å²	198	146.6 Å²	146.6	86%	0.861	77%	0.767	S	S	*	*			trans	99.4	108.9	165.8	-65.1	-171.5	175.2	179.2	0	122.3
202	I	25.4	Very low	26.7	Very low	144 Å²	144	144.5 Å²	144.5	74%	0.738	76%	0.76	S	S	*	*				73.6	108.3	116.7	-62.7	166	0	0	0	122.7
203	S	22.5	Very low	26.9	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	76%	0.756	S	S	*	*			trans	72	129.6	137.1	79.2	0	0	0	0	126.2
204	K	22	Very low	27.1	Very low	181 Å²	181	134.8 Å²	134.8	79%	0.787	75%	0.749	S	S	*	*			trans	54.1	116	144	-66.3	-178.7	179.1	-177.7	0	120.4
205	F	25	Very low	27.1	Very low	178 Å²	178	135.8 Å²	135.8	78%	0.781	76%	0.76	S	S	*	*				178.6	151.1	95.2	-109.5	-70.4	0	0	0	115
206	H	27.3	Very low	27	Very low	169 Å²	169	134.1 Å²	134.1	78%	0.782	77%	0.766	S	S	*	*			trans	53.6	-179.2	157.1	-88.4	-56.8	0	0	0	121.3
207	S	25	Very low	26.9	Very low	101 Å²	101	132 Å²	132	71%	0.706	77%	0.766	S	S	*	*			trans	-155.3	147.3	-144.3	54.3	0	0	0	0	113.2
208	S	29.3	Very low	26.9	Very low	107 Å²	107	130 Å²	130	75%	0.748	76%	0.759	S	S	*	*			trans	-157.7	134.2	149.9	48.2	0	0	0	0	113.4
209	N	29.9	Very low	26.4	Very low	141 Å²	141	131.6 Å²	131.6	75%	0.754	76%	0.762	S	S	*	*			trans	45.7	116.5	149.1	-56.5	-16.6	0	0	0	120
210	N	29.3	Very low	26.2	Very low	150 Å²	150	131.4 Å²	131.4	80%	0.802	76%	0.756	S	S	*	*				69.2	133.1	70	-73.6	-19.6	0	0	0	113.4
211	S	30.4	Very low	26	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	76%	0.758	S	S	*	*			cis	-160.9	-166.2	-2.9	50.3	0	0	0	0	107.6
212	I	30.4	Very low	25.8	Very low	142 Å²	142	132.8 Å²	132.8	73%	0.728	75%	0.749	S	S	*	*			cis	-165	159.5	10.5	-142.3	154.7	0	0	0	104.6
213	N	27.6	Very low	25.7	Very low	140 Å²	140	135.5 Å²	135.5	75%	0.749	76%	0.756	S	S	*	*			cis	-161.3	166.5	-22.5	-111	8.6	0	0	0	105.8
214	S	27.5	Very low	25.7	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	76%	0.759	S	S	*	*			cis	-161.6	141.6	-10.5	44.1	0	0	0	0	108.3
215	T	24.3	Very low	25.9	Very low	143 Å²	143	133.6 Å²	133.6	88%	0.877	75%	0.754	S	S	*	*			trans	-114.7	170.3	175.8	52.1	0	0	0	0	111.5
216	S	26.8	Very low	25.8	Very low	123 Å²	123	135.3 Å²	135.3	86%	0.86	76%	0.757	S	S	*	*			trans	-138.5	133.1	160.9	62.1	0	0	0	0	110
217	S	23.6	Very low	25.8	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	75%	0.752	S	S	*	*			trans	-116.4	-173.3	-165.5	61.1	0	0	0	0	114.2
218	T	24.3	Very low	25.8	Very low	109 Å²	109	138.8 Å²	138.8	67%	0.669	76%	0.758	S	S	*	*			trans	-65	167.6	173.3	58.7	0	0	0	0	112.3
219	N	23.1	Very low	25.8	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	76%	0.757	S	S	*	*				-171.9	143.3	61.8	-96	-36.5	0	0	0	115.2
220	V	22.8	Very low	25.7	Very low	114 Å²	114	138.6 Å²	138.6	69%	0.691	76%	0.756	S	S	*	*				53.2	112.3	125.9	-176.6	0	0	0	0	123.2
221	Q	22.6	Very low	25.6	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	75%	0.752	S	S	*	*			trans	68.2	108.9	138.2	-67.9	177.1	-19.3	0	0	126.3
222	I	23.2	Very low	25.5	Very low	132 Å²	132	141.1 Å²	141.1	68%	0.677	76%	0.761	S	S	*	*				50.1	121.4	113.3	-56.9	168	0	0	0	121.3
223	F	22.5	Very low	25.3	Very low	201 Å²	201	139 Å²	139	88%	0.882	76%	0.764	S	S	*	*				-167	166.6	113.1	-114.8	-79.4	0	0	0	112.9
224	N	22.6	Very low	25.2	Very low	142 Å²	142	143.5 Å²	143.5	76%	0.759	77%	0.771	S	S	*	*			trans	-111.8	156.9	-167.9	-67.4	-29.3	0	0	0	114.8
225	S	26.2	Very low	25	Very low	98 Å²	98	150.6 Å²	150.6	69%	0.685	78%	0.782	S	S	*	*				144.2	151.5	105.1	70	0	0	0	0	117.9
226	Y	24	Very low	25.1	Very low	213 Å²	213	148.7 Å²	148.7	84%	0.835	77%	0.77	S	S	*	*			trans	58	145.4	167.7	-68.3	-92	0	0	0	120.2
227	D	26.2	Very low	24.9	Very low	128 Å²	128	153 Å²	153	68%	0.684	77%	0.774	S	S	*	*			cis	-170.2	169.6	-21.3	-172.8	28.7	0	0	0	112.6
228	R	26.3	Very low	24.8	Very low	216 Å²	216	158.3 Å²	158.3	82%	0.815	78%	0.776	S	S	*	*			trans	97.4	124.9	157	-65.9	-163.9	167	-174.7	-5.7	122.2
229	S	27.9	Very low	24.8	Very low	104 Å²	104	157.8 Å²	157.8	73%	0.727	78%	0.777	S	S	*	*			trans	84.1	97.9	147.9	-61.8	0	0	0	0	121
230	N	28	Very low	24.7	Very low	139 Å²	139	157 Å²	157	74%	0.743	78%	0.782	S	S	*	*				35.5	140	101.3	-64.8	6.7	0	0	0	118.5
231	N	27.1	Very low	24.8	Very low	135 Å²	135	158.1 Å²	158.1	72%	0.722	78%	0.783	S	S	*	*			cis	-161.1	-179	0.2	-95.7	-24.5	0	0	0	106.7
232	I	28.3	Very low	24.7	Very low	165 Å²	165	154.2 Å²	154.2	85%	0.846	77%	0.774	S	S	*	*			cis	-132.8	157	18.7	-66	169.3	0	0	0	109.5
233	A	25.7	Very low	24.6	Very low	98 Å²	98	155.4 Å²	155.4	81%	0.81	78%	0.778	S	S	*	*			trans	-65.7	145.7	-164.5	0	0	0	0	0	117.2
234	R	26.9	Very low	24.6	Very low	233 Å²	233	150.5 Å²	150.5	88%	0.879	77%	0.765	S	S	*	*			trans	-78.7	136.1	174.7	-72.2	178.8	169.2	131.2	-3.8	112.5	V236	R234-V236 HydrophobicContact CB-CG2 4.37Å; R234-V236 PolarHBondContact O-N 2.91Å
235	R	23	Very low	24.6	Very low	250 Å²	250	150 Å²	150	94%	0.943	76%	0.762	S	S	*	*			trans	-73.3	86.3	166.3	-177.3	-173	-73.6	165.5	-4.2	110.6
236	V	25.6	Very low	24.5	Very low	104 Å²	104	150.5 Å²	150.5	63%	0.63	76%	0.762	S	S	*	*			trans	-121.4	100.3	166.4	-179.5	0	0	0	0	108.8	R234 R238	R234-V236 HydrophobicContact CB-CG2 4.37Å; R234-V236 PolarHBondContact O-N 2.91Å; V236-R238 HydrophobicContact CG1-CG 4.26Å; V236-R238 PolarHBondContact O-N 2.95Å
237	K	23.7	Very low	24.5	Very low	214 Å²	214	144.5 Å²	144.5	93%	0.93	75%	0.751	S	S	*	*			trans	-70.2	78.9	164.8	-85.5	-171.3	170.6	-174.2	0	108.8	S239	K237-S239 PolarHBondContact O-N 3.35Å
238	R	22.1	Very low	24.5	Very low	224 Å²	224	145.2 Å²	145.2	85%	0.845	75%	0.753	S	S	*	*			trans	-69.6	125.4	154.2	-96.5	-177.8	171.3	161.7	-1.8	106.8	V236 S240	V236-R238 HydrophobicContact CG1-CG 4.26Å; V236-R238 PolarHBondContact O-N 2.95Å; R238-S240 PolarHBondContact O-N 3.26Å; R238-S240 VanDerWaalsContact O-N 3.13Å
239	S	23.5	Very low	24.6	Very low	98 Å²	98	140.2 Å²	140.2	69%	0.685	74%	0.742	S	S	*	*			trans	-56	115.8	170.9	46.6	0	0	0	0	109	K237 I241	K237-S239 PolarHBondContact O-N 3.35Å; S239-I241 PolarHBondContact O-N 2.84Å
240	S	21.6	Very low	24.6	Very low	121 Å²	121	139.6 Å²	139.6	85%	0.846	73%	0.73	S	S	*	*			trans	-70.5	73.4	166.7	53.7	0	0	0	0	108.9	R238 S242	R238-S240 PolarHBondContact O-N 3.26Å; R238-S240 VanDerWaalsContact O-N 3.13Å; S240-S242 PolarHBondContact O-N 2.93Å
241	I	23.9	Very low	24.8	Very low	139 Å²	139	135 Å²	135	71%	0.713	71%	0.707	S	S	*	*			trans	-62.3	101	155.3	-63.1	176.7	0	0	0	104	S239 M243	S239-I241 PolarHBondContact O-N 2.84Å; I241-M243 PolarHBondContact O-N 3.27Å; I241-M243 VanDerWaalsContact O-N 3.17Å
242	S	20.5	Very low	25.2	Very low	84 Å²	84	129.4 Å²	129.4	59%	0.587	68%	0.678	S	S	*	*			trans	-58.1	121.1	169.3	-172.7	0	0	0	0	106.6	S240 T244	S240-S242 PolarHBondContact O-N 2.93Å; S242-T244 PolarHBondContact O-N 2.83Å
243	M	21.7	Very low	25.9	Very low	157 Å²	157	123.5 Å²	123.5	77%	0.773	65%	0.647	S	S	*	*			trans	-73.3	74.8	161.2	-74.5	-167.8	70.2	0	0	107.3	I241 N245	I241-M243 PolarHBondContact O-N 3.27Å; I241-M243 VanDerWaalsContact O-N 3.17Å; M243-N245 PolarHBondContact O-N 3.37Å
244	T	21.6	Very low	26.4	Very low	98 Å²	98	119.6 Å²	119.6	60%	0.601	61%	0.613	S	S	*	*			trans	-62.9	84.6	156.6	48	0	0	0	0	106.8	S242 T246	S242-T244 PolarHBondContact O-N 2.83Å; T244-T246 PolarHBondContact O-N 3.45Å; T244-T246 PolarHBondContact O-OG1 2.92Å
245	N	22.8	Very low	27	Very low	132 Å²	132	109.6 Å²	109.6	71%	0.706	58%	0.576	S	S	*	*			trans	-68.7	60.3	153.7	-80.8	5.4	0	0	0	108	M243 S247	M243-N245 PolarHBondContact O-N 3.37Å; N245-S247 PolarHBondContact O-N 3.44Å
246	T	23.5	Very low	27.7	Very low	109 Å²	109	100.8 Å²	100.8	67%	0.669	55%	0.545	S	S	*	.			trans	-63	83.8	144.8	46.9	0	0	0	0	105.2	T244 I248	T244-T246 PolarHBondContact O-N 3.45Å; T244-T246 PolarHBondContact O-OG1 2.92Å; T246-I248 PolarHBondContact O-N 3.43Å
247	S	24.1	Very low	28.2	Very low	87 Å²	87	99.1 Å²	99.1	61%	0.608	53%	0.528	S	S	*	.			trans	-49.2	116.3	156.9	46	0	0	0	0	105.8	N245 L249	N245-S247 PolarHBondContact O-N 3.44Å; S247-L249 WeakPolarHBondContact O-CD1 3.48Å; S247-L249 PolarHBondContact O-N 2.87Å; S247-L249 VanDerWaalsContact O-N 3.11Å
248	I	27.6	Very low	28.6	Very low	143 Å²	143	92.2 Å²	92.2	73%	0.733	50%	0.504	S	S	*	.			trans	-57	123.6	174.5	-60.8	175.7	0	0	0	105.4	T246 D250	T246-I248 PolarHBondContact O-N 3.43Å; I248-D250 WeakPolarHBondContact CG2-OD1 3.15Å; I248-D250 PolarHBondContact O-N 3.31Å
249	L	27.6	Very low	29.2	Very low	110 Å²	110	87.5 Å²	87.5	58%	0.576	50%	0.496	S	S	*	.			trans	-78.4	71.5	-173.7	-112	72.7	0	0	0	108	S247 T251 S460	S247-L249 WeakPolarHBondContact O-CD1 3.48Å; S247-L249 PolarHBondContact O-N 2.87Å; S247-L249 VanDerWaalsContact O-N 3.11Å; L249-T251 PolarHBondContact O-N 3.34Å; L249-T251 VanDerWaalsContact O-N 3.15Å; L249-S460 VanDerWaalsContact C-CB 3.41Å; L249-S460 WeakPolarHBondContact CD2-O 3.33Å; L249-S460 WeakPolarHBondContact O-CB 3.34Å; L249-S460 PolarHBondContact O-OG 2.82Å; L249-S460 VanDerWaalsContact O-OG 3.12Å
250	D	28.6	Very low	30	Very low	91 Å²	91	87.7 Å²	87.7	49%	0.487	49%	0.486	S	S	.	.			trans	-61.7	115.1	-179.8	-71	-22.5	0	0	0	109.2	I248 S460	I248-D250 WeakPolarHBondContact CG2-OD1 3.15Å; I248-D250 PolarHBondContact O-N 3.31Å; D250-S460 WeakPolarHBondContact O-CB 3.41Å; D250-S460 PolarHBondContact O-OG 3.41Å
251	T	32.5	Very low	31.3	Very low	42 Å²	42	86.7 Å²	86.7	26%	0.258	48%	0.479	S	S	.	.			trans	-80.5	155.2	-174.7	-17.7	0	0	0	0	111.1	L249 H253 S460	L249-T251 PolarHBondContact O-N 3.34Å; L249-T251 VanDerWaalsContact O-N 3.15Å; T251-H253 PolarHBondContact O-CE1 3.45Å; T251-H253 VanDerWaalsContact O-CE1 3.31Å; T251-H253 VanDerWaalsContact O-CG 3.26Å; T251-H253 PolarHBondContact O-N 3.02Å; T251-H253 PolarHBondContact O-ND1 2.97Å; T251-H253 VanDerWaalsContact O-ND1 3.09Å; T251-S460 WeakPolarHBondContact CA-OG 3.4Å; T251-S460 PolarHBondContact N-OG 2.77Å
252	V	35.1	Very low	32.9	Very low	18 Å²	18	84.5 Å²	84.5	11%	0.109	47%	0.466	C	S	.	.			trans	-69	107.8	168.5	-178.2	0	0	0	0	107.7	V254 V310 V463 V532	V252-V254 HydrophobicContact CG1-CG2 4.37Å; V252-V254 PolarHBondContact O-N 3Å; V252-V254 VanDerWaalsContact O-N 3.1Å; V252-V310 HydrophobicContact CB-CG1 4.32Å; V252-V310 HydrophobicContact CG1-CG1 3.92Å; V252-V310 HydrophobicContact CG1-CG2 4.21Å; V252-V310 HydrophobicContact CG2-CG1 4.15Å; V252-V463 HydrophobicContact CG2-CG2 4.19Å; V252-V532 HydrophobicContact CG1-CG1 4.09Å
253	H	41.6	Very low	35.2	Very low	41 Å²	41	81.2 Å²	81.2	19%	0.19	44%	0.442	C	S	.	.			trans	-84.9	84.8	-166.5	-70.1	-29.9	0	0	0	112.1	T251 L533 W621	T251-H253 PolarHBondContact O-CE1 3.45Å; T251-H253 VanDerWaalsContact O-CE1 3.31Å; T251-H253 VanDerWaalsContact O-CG 3.26Å; T251-H253 PolarHBondContact O-N 3.02Å; T251-H253 PolarHBondContact O-ND1 2.97Å; T251-H253 VanDerWaalsContact O-ND1 3.09Å; H253-L533 HydrophobicContact CB-CB 4.16Å; H253-L533 PolarHBondContact O-N 3.19Å; H253-W621 HydrophobicContact CB-CZ2 3.69Å; H253-W621 AromaticContact CD2-NE1 3.53Å; H253-W621 AromaticContact CE1-CD1 3.27Å; H253-W621 AromaticContact CE1-NE1 3.53Å; H253-W621 AromaticContact CG-CD1 3.76Å; H253-W621 AromaticContact CG-CE2 3.74Å; H253-W621 AromaticContact CG-NE1 3.16Å; H253-W621 AromaticContact ND1-CD1 3.27Å; H253-W621 VanDerWaalsContact ND1-CD1 3.27Å; H253-W621 AromaticContact ND1-CE2 3.72Å; H253-W621 AromaticContact ND1-CG 3.83Å; H253-W621 AromaticContact ND1-NE1 3.15Å; H253-W621 PolarHBondContact ND1-NE1 3.29Å; H253-W621 VanDerWaalsContact ND1-NE1 3.15Å; H253-W621 AromaticContact NE2-CD1 3.7Å; H253-W621 AromaticContact NE2-NE1 3.72Å
254	V	37.4	Very low	37.9	Very low	17 Å²	17	75.5 Å²	75.5	10%	0.103	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-84.8	126.7	179.6	176.6	0	0	0	0	111.4	V252 H256 V308 V310 W621	V252-V254 HydrophobicContact CG1-CG2 4.37Å; V252-V254 PolarHBondContact O-N 3Å; V252-V254 VanDerWaalsContact O-N 3.1Å; V254-H256 PolarHBondContact O-N 3Å; V254-V308 HydrophobicContact CG1-CB 4.05Å; V254-V308 HydrophobicContact CG1-CG1 3.87Å; V254-V308 HydrophobicContact CG1-CG2 3.77Å; V254-V308 HydrophobicContact CG2-CG1 4.13Å; V254-V310 HydrophobicContact CG2-CG2 4.24Å; V254-W621 WeakPolarHBondContact O-CH2 3.34Å; V254-W621 VanDerWaalsContact O-CZ3 3.26Å; V254-W621 WeakPolarHBondContact O-CZ3 3.21Å
255	F	38.9	Very low	40.6	Very low	23 Å²	23	71.1 Å²	71.1	10%	0.101	39%	0.385	C	S	.	.			trans	-71.5	98.6	-175.9	-94.1	-119.4	0	0	0	114.7	R257 G531 C539 D540 C541 A569 W621	F255-R257 PolarHBondContact O-N 3.2Å; F255-G531 PolarHBondContact N-O 3.18Å; F255-G531 VanDerWaalsContact N-O 3.14Å; F255-C539 HydrophobicContact CZ-CB 4.09Å; F255-D540 WeakPolarHBondContact CD1-O 3.39Å; F255-D540 WeakPolarHBondContact CD2-O 3.37Å; F255-D540 VanDerWaalsContact CE2-O 3.27Å; F255-D540 WeakPolarHBondContact CE2-O 3.39Å; F255-D540 WeakPolarHBondContact CG-O 3.32Å; F255-C541 HydrophobicContact CD1-CB 3.77Å; F255-C541 HydrophobicContact CE1-CB 3.99Å; F255-A569 VanDerWaalsContact CE1-C 3.5Å; F255-A569 HydrophobicContact CE1-CB 3.75Å; F255-A569 WeakPolarHBondContact CE1-O 3.21Å; F255-A569 HydrophobicContact CZ-CB 3.92Å; F255-W621 HydrophobicContact CD2-CH2 4.2Å; F255-W621 HydrophobicContact CD2-CZ2 4.3Å; F255-W621 HydrophobicContact CE2-CZ2 4.28Å
256	H	37.7	Very low	43.6	Very low	64 Å²	64	64.9 Å²	64.9	30%	0.296	35%	0.352	S	S	.	.			trans	-61.4	128.3	177.7	-151.5	-53.3	0	0	0	112.5	V254 P258	V254-H256 PolarHBondContact O-N 3Å; H256-P258 WeakPolarHBondContact O-CD 3.45Å
257	R	36.2	Very low	46.3	Very low	70 Å²	70	59.8 Å²	59.8	26%	0.264	32%	0.321	S	S	.	.			trans	-78.3	120.9	164	-73.4	-176.1	173.6	160.3	1.4	108.9	F255 D259 A303 S546 P548	F255-R257 PolarHBondContact O-N 3.2Å; R257-D259 VanDerWaalsContact C-N 3.27Å; R257-D259 PolarHBondContact O-N 3.49Å; R257-A303 PolarHBondContact NH1-O 2.84Å; R257-S546 PolarHBondContact NH2-O 3.46Å; R257-S546 VanDerWaalsContact NH2-O 3.07Å; R257-P548 HydrophobicContact CG-CG 4.09Å
258	P	32.9	Very low	49.4	Very low	68 Å²	68	55.6 Å²	55.6	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.4	-172.1	-19.7	33.7	0	0	0	116.5	H256 W551	H256-P258 WeakPolarHBondContact O-CD 3.45Å; P258-W551 HydrophobicContact CG-CZ2 3.58Å
259	D	34.2	Very low	52.3	Low	125 Å²	125	48.8 Å²	48.8	67%	0.668	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	4.6	-167.5	-43.4	-53.6	0	0	0	113.2	R257 K550	R257-D259 VanDerWaalsContact C-N 3.27Å; R257-D259 PolarHBondContact O-N 3.49Å; D259-K550 IonicContact OD1-NZ 3.31Å; D259-K550 PolarHBondContact OD1-NZ 3.33Å; D259-K550 WeakPolarHBondContact OD2-CE 3.43Å; D259-K550 IonicContact OD2-NZ 2.7Å; D259-K550 PolarHBondContact OD2-NZ 3.02Å
260	E	39.8	Very low	55.3	Low	103 Å²	103	43.6 Å²	43.6	48%	0.481	23%	0.229	S	C	.	.	S	Bend	trans	-127.3	157.8	179	-71	-175.7	112	0	0	111.2	Q262	E260-Q262 PolarHBondContact O-N 2.86Å
261	S	49.5	Very low	58.4	Low	99 Å²	99	39.3 Å²	39.3	69%	0.692	21%	0.207	S	C	*	.	S	Bend	trans	-60.6	134.1	176.8	53.3	0	0	0	0	111.7	T263 N306	S261-T263 PolarHBondContact O-N 2.87Å; S261-N306 PolarHBondContact O-ND2 3.43Å
262	Q	57.9	Low	61.2	Low	94 Å²	94	37.3 Å²	37.3	44%	0.439	19%	0.194	S	C	.	.			trans	-11.4	114.6	176.4	-169.7	168.4	-8.3	0	0	115.2	E260 Y787	E260-Q262 PolarHBondContact O-N 2.86Å; Q262-Y787 PolarHBondContact NE2-OH 3.3Å; Q262-Y787 PolarHBondContact OE1-OH 3.45Å
263	T	67.7	Low	63.9	Low	15 Å²	15	37 Å²	37	9%	0.092	19%	0.192	C	C	.	.			trans	-55.6	134.5	-177.2	-61.8	0	0	0	0	112.2	S261 N306 V308	S261-T263 PolarHBondContact O-N 2.87Å; T263-N306 WeakPolarHBondContact CA-ND2 3.41Å; T263-N306 WeakPolarHBondContact CB-OD1 3.25Å; T263-N306 WeakPolarHBondContact CG2-OD1 3.28Å; T263-N306 PolarHBondContact OG1-ND2 2.94Å; T263-N306 PolarHBondContact OG1-OD1 3.34Å; T263-V308 HydrophobicContact CG2-CG2 3.95Å
264	Y	78.3	Confident	66.2	Low	36 Å²	36	38 Å²	38	14%	0.141	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	133.4	171.7	-67.5	-79.3	0	0	0	110	N306 I307 V308 L446 L454 H455	Y264-N306 PolarHBondContact N-O 3.11Å; Y264-I307 HydrophobicContact CD2-CG1 4.44Å; Y264-I307 HydrophobicContact CG-CG1 4.48Å; Y264-I307 CarbonylContact O-C 3.6Å; Y264-I307 WeakPolarHBondContact O-CA 3.34Å; Y264-V308 PolarHBondContact O-N 3.21Å; Y264-L446 HydrophobicContact CD1-CD2 4.45Å; Y264-L446 HydrophobicContact CD2-CD1 4.07Å; Y264-L446 HydrophobicContact CE1-CD2 4.36Å; Y264-L446 HydrophobicContact CE2-CD1 3.83Å; Y264-L454 CarbonylContact C-O 3.55Å; Y264-L454 WeakPolarHBondContact CA-O 3.39Å; Y264-L454 WeakPolarHBondContact CB-O 3.37Å; Y264-L454 HydrophobicContact CD1-CB 4.2Å; Y264-L454 WeakPolarHBondContact CD1-O 3.26Å; Y264-H455 AromaticContact CD1-CE1 3.86Å; Y264-H455 AromaticContact CD1-ND1 3.73Å; Y264-H455 AromaticContact CE1-CD2 3.91Å; Y264-H455 AromaticContact CE1-CE1 3.29Å; Y264-H455 WeakPolarHBondContact CE1-CE1 3.44Å; Y264-H455 AromaticContact CE1-ND1 3.64Å; Y264-H455 AromaticContact CE1-NE2 3.45Å; Y264-H455 WeakPolarHBondContact CE1-NE2 3.38Å; Y264-H455 AromaticContact CZ-CE1 3.87Å
265	V	78.2	Confident	68.7	Low	6 Å²	6	39.5 Å²	39.5	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.9	177.1	-174.8	0	0	0	0	109.7	V308 V310 L454 L457 P458	V265-V308 CarbonylContact C-O 3.5Å; V265-V308 VanDerWaalsContact CA-O 3.28Å; V265-V308 WeakPolarHBondContact CA-O 3.39Å; V265-V310 HydrophobicContact CG1-CB 4.42Å; V265-V310 HydrophobicContact CG1-CG2 3.87Å; V265-L454 PolarHBondContact N-O 3.14Å; V265-L454 CarbonylContact O-C 3.59Å; V265-L454 WeakPolarHBondContact O-CA 3.11Å; V265-L454 WeakPolarHBondContact O-CB 3.47Å; V265-L457 HydrophobicContact CG2-CD2 4.14Å; V265-P458 HydrophobicContact CG1-CG 4.11Å
266	V	86.1	Confident	71	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113	174.9	-173.5	0	0	0	0	108.9	L268 I307 V308 I309 V310 M372 F405 L454	V266-L268 PolarHBondContact O-N 2.94Å; V266-I307 HydrophobicContact CG2-CG2 3.8Å; V266-V308 PolarHBondContact N-O 3.2Å; V266-I309 HydrophobicContact CB-CB 4.36Å; V266-I309 HydrophobicContact CB-CG1 3.78Å; V266-I309 HydrophobicContact CG1-CG1 4.44Å; V266-I309 HydrophobicContact CG2-CG1 3.83Å; V266-V310 PolarHBondContact O-N 2.79Å; V266-M372 HydrophobicContact CG1-CE 4.34Å; V266-M372 HydrophobicContact CG1-SD 4.34Å; V266-F405 HydrophobicContact CG2-CZ 3.99Å; V266-L454 HydrophobicContact CB-CD2 4.4Å; V266-L454 HydrophobicContact CG1-CD2 4.3Å; V266-L454 HydrophobicContact CG2-CD1 4.44Å; V266-L454 HydrophobicContact CG2-CD2 4.13Å
267	E	80.6	Confident	73.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	104	169.5	-64.5	-168.6	137.9	0	0	109.7	V312 R346 H347 D348 C349 P458	E267-V312 HydrophobicContact CB-CG1 3.83Å; E267-V312 HydrophobicContact CB-CG2 4Å; E267-V312 HydrophobicContact CG-CG1 3.88Å; E267-R346 IonicContact OE1-NE 2.74Å; E267-R346 WeakPolarHBondContact OE2-CD 3.16Å; E267-R346 WeakPolarHBondContact OE2-CG 3.31Å; E267-R346 IonicContact OE2-CZ 4Å; E267-R346 IonicContact OE2-NE 3.23Å; E267-R346 PolarHBondContact OE2-NE 3.48Å; E267-R346 IonicContact OE2-NH2 3.17Å; E267-H347 HydrophobicContact CB-CB 4.38Å; E267-D348 WeakPolarHBondContact CB-OD2 3.45Å; E267-D348 PolarHBondContact N-OD2 3.31Å; E267-D348 PolarHBondContact O-N 2.73Å; E267-C349 PolarHBondContact O-N 3.09Å; E267-P458 HydrophobicContact CG-CG 4.27Å
268	L	88.1	Confident	75.8	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.1	-177.4	-162.8	73.7	0	0	0	112.2	V266 I295 I309 V310 I311 V312 C349 H351 L401	V266-L268 PolarHBondContact O-N 2.94Å; L268-I295 HydrophobicContact CD2-CD1 4.5Å; L268-I309 HydrophobicContact CB-CG2 3.93Å; L268-I309 HydrophobicContact CD2-CG2 3.91Å; L268-I309 HydrophobicContact CG-CG2 4.42Å; L268-V310 PolarHBondContact N-O 2.83Å; L268-I311 CarbonylContact O-C 3.47Å; L268-I311 WeakPolarHBondContact O-CA 3.4Å; L268-V312 PolarHBondContact O-N 2.86Å; L268-C349 HydrophobicContact CD1-CB 4.2Å; L268-H351 HydrophobicContact CD1-CB 4.09Å; L268-H351 HydrophobicContact CD2-CB 4.37Å; L268-L401 HydrophobicContact CD1-CD2 4.21Å
269	F	88.5	Confident	78.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109	162.5	-164.9	-49.2	0	0	0	108	V271 R313 E315 F338 A343 H347 C349 L350 H351	F269-V271 HydrophobicContact CD1-CG1 4.47Å; F269-V271 HydrophobicContact CE1-CG1 4.05Å; F269-R313 CarbonylContact C-O 3.52Å; F269-R313 WeakPolarHBondContact CA-O 3.4Å; F269-R313 HydrophobicContact CD1-CB 4.32Å; F269-R313 HydrophobicContact CD1-CG 4Å; F269-R313 HydrophobicContact CD2-CB 3.94Å; F269-R313 HydrophobicContact CD2-CG 3.85Å; F269-R313 HydrophobicContact CE1-CG 3.71Å; F269-R313 HydrophobicContact CE2-CB 4.17Å; F269-R313 HydrophobicContact CE2-CG 3.56Å; F269-R313 HydrophobicContact CG-CB 4.03Å; F269-R313 HydrophobicContact CG-CG 4.07Å; F269-R313 HydrophobicContact CZ-CB 4.45Å; F269-R313 HydrophobicContact CZ-CG 3.49Å; F269-R313 VanDerWaalsContact CZ-CG 3.49Å; F269-E315 HydrophobicContact CE1-CB 4.33Å; F269-E315 HydrophobicContact CE1-CG 3.94Å; F269-E315 HydrophobicContact CZ-CG 4.07Å; F269-F338 HydrophobicContact CE1-CE1 4.44Å; F269-F338 HydrophobicContact CZ-CE1 4.49Å; F269-A343 HydrophobicContact CD2-CB 3.97Å; F269-A343 HydrophobicContact CE2-CB 3.63Å; F269-A343 HydrophobicContact CZ-CB 4.42Å; F269-H347 HydrophobicContact CB-CB 4Å; F269-H347 WeakPolarHBondContact CB-CD2 3.02Å; F269-H347 AromaticContact CD2-CE1 3.83Å; F269-H347 AromaticContact CD2-ND1 3.83Å; F269-C349 PolarHBondContact N-O 3.38Å; F269-L350 HydrophobicContact CB-CB 4.23Å; F269-L350 HydrophobicContact CB-CD1 4.37Å; F269-L350 HydrophobicContact CB-CG 4.41Å; F269-L350 HydrophobicContact CD1-CD1 3.96Å; F269-L350 HydrophobicContact CD1-CG 4.49Å; F269-L350 HydrophobicContact CE1-CD1 4.46Å; F269-L350 HydrophobicContact CG-CD1 4.13Å; F269-L350 CarbonylContact O-C 3.25Å; F269-L350 WeakPolarHBondContact O-CA 3.39Å; F269-H351 PolarHBondContact O-N 2.82Å
270	M	92.5	Very high	80.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137.8	179	-162.4	164.8	-178.7	0	0	110.8	I291 I295 I311 R313 L314 E315 H351 L353 I397	M270-I291 HydrophobicContact CE-CG2 3.94Å; M270-I291 HydrophobicContact SD-CG2 3.63Å; M270-I295 HydrophobicContact CE-CD1 4.42Å; M270-I295 HydrophobicContact SD-CD1 4.16Å; M270-I295 HydrophobicContact SD-CG1 4.07Å; M270-I311 HydrophobicContact CB-CG2 3.99Å; M270-I311 HydrophobicContact SD-CD1 4.1Å; M270-R313 PolarHBondContact N-O 3.27Å; M270-L314 HydrophobicContact CB-CD1 3.97Å; M270-L314 HydrophobicContact CG-CD1 4.14Å; M270-L314 WeakPolarHBondContact O-CA 3.42Å; M270-E315 PolarHBondContact O-N 2.68Å; M270-H351 WeakPolarHBondContact CA-O 3.2Å; M270-L353 HydrophobicContact CE-CB 3.85Å; M270-L353 HydrophobicContact CE-CD2 4.01Å; M270-L353 HydrophobicContact CE-CG 4.43Å; M270-I397 HydrophobicContact CE-CD1 4.05Å
271	V	92.5	Very high	82.8	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.5	178.2	-104.6	0	0	0	0	110.5	F269 E315 W317 F338 L350 H351 A352 L353	F269-V271 HydrophobicContact CD1-CG1 4.47Å; F269-V271 HydrophobicContact CE1-CG1 4.05Å; V271-E315 CarbonylContact C-O 3.35Å; V271-E315 WeakPolarHBondContact CA-O 3.44Å; V271-E315 HydrophobicContact CG1-CB 3.88Å; V271-W317 HydrophobicContact CB-CZ2 4.31Å; V271-W317 HydrophobicContact CG1-CH2 4.46Å; V271-W317 HydrophobicContact CG1-CZ2 3.56Å; V271-F338 HydrophobicContact CG1-CE1 4.32Å; V271-L350 HydrophobicContact CG2-CD1 4.15Å; V271-L350 HydrophobicContact CG2-CD2 3.79Å; V271-L350 HydrophobicContact CG2-CG 3.92Å; V271-H351 PolarHBondContact N-O 2.96Å; V271-A352 HydrophobicContact CG2-CB 4.06Å; V271-A352 CarbonylContact O-C 3.43Å; V271-A352 WeakPolarHBondContact O-CA 3.19Å; V271-L353 PolarHBondContact O-N 2.81Å
272	V	92.4	Very high	83.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.5	178.9	-171.5	0	0	0	0	109.3	M276 L287 I291 L314 E315 I316 W317 L353	V272-M276 HydrophobicContact CG1-CB 3.61Å; V272-M276 HydrophobicContact CG1-CG 3.47Å; V272-M276 VanDerWaalsContact CG1-CG 3.47Å; V272-L287 HydrophobicContact CG1-CD1 4.46Å; V272-L287 HydrophobicContact CG1-CD2 4.22Å; V272-I291 HydrophobicContact CG2-CD1 3.61Å; V272-L314 HydrophobicContact CG2-CD1 3.93Å; V272-E315 PolarHBondContact N-O 2.79Å; V272-I316 HydrophobicContact CB-CG1 4.26Å; V272-I316 HydrophobicContact CB-CG2 4.41Å; V272-I316 HydrophobicContact CG2-CG1 4.15Å; V272-W317 WeakPolarHBondContact O-CB 3.39Å; V272-W317 PolarHBondContact O-N 2.99Å; V272-L353 WeakPolarHBondContact CA-O 3.27Å
273	D	91.4	Very high	84.9	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	17%	0.169	C	C	.	.			trans	-78	167.1	-175.1	84.8	-44.4	0	0	0	114	T275 M276 A277 L324 L353 L354 G355	D273-T275 PolarHBondContact O-N 3.34Å; D273-T275 WeakPolarHBondContact OD2-CB 3.48Å; D273-T275 PolarHBondContact OD2-N 3.28Å; D273-T275 PolarHBondContact OD2-OG1 2.93Å; D273-M276 PolarHBondContact O-N 3.48Å; D273-M276 VanDerWaalsContact OD1-CB 3.25Å; D273-M276 WeakPolarHBondContact OD1-CB 3.36Å; D273-M276 PolarHBondContact OD1-N 3.26Å; D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 2.81Å; D273-L324 HydrophobicContact CB-CD1 3.67Å; D273-L353 PolarHBondContact N-O 2.81Å; D273-L354 HydrophobicContact CB-CD2 3.81Å; D273-L354 WeakPolarHBondContact OD1-CA 3.38Å; D273-G355 PolarHBondContact OD1-N 2.8Å
274	E	89.5	Confident	85.3	Confident	63 Å²	63	34.5 Å²	34.5	29%	0.294	17%	0.171	S	C	.	.	H	α-helix	trans	-52.2	-39.5	175.1	-178.4	-175.6	119.9	0	0	112.1	A277 A278 W317 Q319 D320 K325	E274-A277 PolarHBondContact O-N 3.39Å; E274-A278 VanDerWaalsContact O-CB 3.23Å; E274-A278 WeakPolarHBondContact O-CB 3.25Å; E274-A278 PolarHBondContact O-N 3.49Å; E274-W317 WeakPolarHBondContact CA-O 3.44Å; E274-Q319 WeakPolarHBondContact OE2-CA 3.19Å; E274-D320 WeakPolarHBondContact CB-OD1 3.28Å; E274-D320 PolarHBondContact N-OD1 2.9Å; E274-D320 PolarHBondContact OE2-N 2.84Å; E274-D320 VanDerWaalsContact OE2-N 3.17Å; E274-K325 IonicContact OE1-NZ 2.85Å; E274-K325 PolarHBondContact OE1-NZ 2.8Å; E274-K325 IonicContact OE2-NZ 3.96Å
275	T	88.8	Confident	84.8	Confident	48 Å²	48	37.9 Å²	37.9	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-53.2	-177.9	-35.6	0	0	0	0	111.6	D273 A277 A278 E279	D273-T275 PolarHBondContact O-N 3.34Å; D273-T275 WeakPolarHBondContact OD2-CB 3.48Å; D273-T275 PolarHBondContact OD2-N 3.28Å; D273-T275 PolarHBondContact OD2-OG1 2.93Å; T275-A277 VanDerWaalsContact C-N 3.33Å; T275-A277 PolarHBondContact O-N 2.94Å; T275-A278 PolarHBondContact O-N 2.86Å; T275-E279 WeakPolarHBondContact O-CG 3.46Å; T275-E279 PolarHBondContact O-N 2.95Å
276	M	88.5	Confident	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-33.6	177.6	-179.7	63.9	175.9	0	0	112.1	V272 D273 E279 F280 L287 L353 V384	V272-M276 HydrophobicContact CG1-CB 3.61Å; V272-M276 HydrophobicContact CG1-CG 3.47Å; V272-M276 VanDerWaalsContact CG1-CG 3.47Å; D273-M276 PolarHBondContact O-N 3.48Å; D273-M276 VanDerWaalsContact OD1-CB 3.25Å; D273-M276 WeakPolarHBondContact OD1-CB 3.36Å; D273-M276 PolarHBondContact OD1-N 3.26Å; M276-E279 VanDerWaalsContact SD-OE2 3.4Å; M276-F280 HydrophobicContact CE-CD2 4.49Å; M276-F280 HydrophobicContact CE-CE2 3.7Å; M276-F280 HydrophobicContact CE-CZ 4.42Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 HydrophobicContact SD-CE2 4.18Å; M276-L287 HydrophobicContact CE-CD1 3.53Å; M276-L287 HydrophobicContact CG-CD1 3.97Å; M276-L287 HydrophobicContact SD-CD1 4.43Å; M276-L353 HydrophobicContact CE-CD2 4.22Å; M276-V384 HydrophobicContact CE-CG1 3.69Å; M276-V384 HydrophobicContact SD-CB 4.49Å; M276-V384 HydrophobicContact SD-CG1 3.65Å; M276-V384 HydrophobicContact SD-CG2 4.14Å
277	A	86.9	Confident	84.4	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-41.5	174	0	0	0	0	0	112.2	D273 E274 T275 F280 Y284 I316 W317	D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 2.81Å; E274-A277 PolarHBondContact O-N 3.39Å; T275-A277 VanDerWaalsContact C-N 3.33Å; T275-A277 PolarHBondContact O-N 2.94Å; A277-F280 PolarHBondContact O-N 2.73Å; A277-Y284 HydrophobicContact CB-CE1 4.44Å; A277-I316 HydrophobicContact CB-CG2 3.82Å; A277-W317 WeakPolarHBondContact CB-O 3.04Å
278	A	88.4	Confident	84.2	Confident	63 Å²	63	42.4 Å²	42.4	52%	0.521	21%	0.21	S	C	.	.	H	α-helix	trans	-67.1	-37	-179.3	0	0	0	0	0	113.3	E274 T275 F280 R281	E274-A278 VanDerWaalsContact O-CB 3.23Å; E274-A278 WeakPolarHBondContact O-CB 3.25Å; E274-A278 PolarHBondContact O-N 3.49Å; T275-A278 PolarHBondContact O-N 2.86Å; A278-F280 PolarHBondContact O-N 3.43Å; A278-R281 WeakPolarHBondContact O-CG 3.32Å; A278-R281 PolarHBondContact O-N 3.38Å
279	E	85.4	Confident	83.4	Confident	55 Å²	55	45 Å²	45	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-55	-34.3	175.7	-72.5	168.7	171.1	0	0	112	T275 M276 T356 F388	T275-E279 WeakPolarHBondContact O-CG 3.46Å; T275-E279 PolarHBondContact O-N 2.95Å; M276-E279 VanDerWaalsContact SD-OE2 3.4Å; E279-T356 PolarHBondContact OE1-N 2.89Å; E279-T356 PolarHBondContact OE1-OG1 2.8Å; E279-F388 WeakPolarHBondContact OE2-CE1 3.49Å; E279-F388 WeakPolarHBondContact OE2-CZ 3.48Å
280	F	83.1	Confident	83	Confident	28 Å²	28	46.4 Å²	46.4	12%	0.123	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.1	177.2	-77.6	-99.5	0	0	0	114.2	M276 A277 A278 G282 R283 Q286 L287	M276-F280 HydrophobicContact CE-CD2 4.49Å; M276-F280 HydrophobicContact CE-CE2 3.7Å; M276-F280 HydrophobicContact CE-CZ 4.42Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 HydrophobicContact SD-CE2 4.18Å; A277-F280 PolarHBondContact O-N 2.73Å; A278-F280 PolarHBondContact O-N 3.43Å; F280-G282 PolarHBondContact O-N 2.72Å; F280-R283 VanDerWaalsContact O-CB 3.3Å; F280-R283 WeakPolarHBondContact O-CB 3.45Å; F280-R283 WeakPolarHBondContact O-CG 3.42Å; F280-R283 PolarHBondContact O-N 3.47Å; F280-R283 VanDerWaalsContact O-N 3.12Å; F280-R283 PolarHBondContact O-NE 3.24Å; F280-Q286 HydrophobicContact CD1-CB 4.01Å; F280-Q286 HydrophobicContact CE1-CB 4.15Å; F280-L287 HydrophobicContact CB-CB 4.24Å; F280-L287 HydrophobicContact CD1-CB 3.84Å; F280-L287 HydrophobicContact CD2-CB 4.14Å; F280-L287 HydrophobicContact CD2-CD1 3.95Å; F280-L287 HydrophobicContact CD2-CG 4.45Å; F280-L287 HydrophobicContact CE1-CB 4.29Å; F280-L287 HydrophobicContact CE2-CD1 3.98Å; F280-L287 HydrophobicContact CG-CB 3.77Å; F280-L287 HydrophobicContact CG-CD1 4.45Å; F280-L287 HydrophobicContact CZ-CD1 4.48Å
281	R	84	Confident	82.6	Confident	216 Å²	216	46.4 Å²	46.4	82%	0.815	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	49	174.9	-54.3	-178.5	-174.9	176.4	0.5	113.1	A278 R283	A278-R281 WeakPolarHBondContact O-CG 3.32Å; A278-R281 PolarHBondContact O-N 3.38Å; R281-R283 VanDerWaalsContact C-N 3.28Å; R281-R283 PolarHBondContact O-N 3.02Å
282	G	73.6	Confident	81.6	Confident	41 Å²	41	48.6 Å²	48.6	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-1.9	-179.9	0	0	0	0	0	115.8	F280 Y284	F280-G282 PolarHBondContact O-N 2.72Å; G282-Y284 WeakPolarHBondContact O-CD2 3.25Å; G282-Y284 PolarHBondContact O-N 2.79Å
283	R	77.6	Confident	80.7	Confident	121 Å²	121	49.8 Å²	49.8	46%	0.457	25%	0.25	S	S	.	.			trans	-81.7	53.6	178.3	-60.6	172.7	-67.9	153.6	-9	111.7	F280 R281 H285 Q286 L287	F280-R283 VanDerWaalsContact O-CB 3.3Å; F280-R283 WeakPolarHBondContact O-CB 3.45Å; F280-R283 WeakPolarHBondContact O-CG 3.42Å; F280-R283 PolarHBondContact O-N 3.47Å; F280-R283 VanDerWaalsContact O-N 3.12Å; F280-R283 PolarHBondContact O-NE 3.24Å; R281-R283 VanDerWaalsContact C-N 3.28Å; R281-R283 PolarHBondContact O-N 3.02Å; R283-H285 VanDerWaalsContact C-N 3.28Å; R283-H285 PolarHBondContact O-N 2.69Å; R283-H285 VanDerWaalsContact O-N 3.15Å; R283-Q286 HydrophobicContact CB-CB 4.42Å; R283-Q286 HydrophobicContact CB-CG 4.39Å; R283-Q286 WeakPolarHBondContact O-CB 3.24Å; R283-Q286 PolarHBondContact O-N 3.31Å; R283-L287 PolarHBondContact O-N 3.44Å
284	Y	77.4	Confident	80.4	Confident	29 Å²	29	49.3 Å²	49.3	11%	0.114	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-31.1	-167.3	-54.8	-59	0	0	0	114.3	A277 G282 Q286 L287 V288 I316 E318 H492 Y494	A277-Y284 HydrophobicContact CB-CE1 4.44Å; G282-Y284 WeakPolarHBondContact O-CD2 3.25Å; G282-Y284 PolarHBondContact O-N 2.79Å; Y284-Q286 PolarHBondContact O-N 3.3Å; Y284-L287 HydrophobicContact CD1-CD2 4.37Å; Y284-L287 WeakPolarHBondContact O-CB 3.47Å; Y284-L287 PolarHBondContact O-N 2.89Å; Y284-V288 WeakPolarHBondContact O-CG2 3.25Å; Y284-V288 PolarHBondContact O-N 2.7Å; Y284-I316 HydrophobicContact CD1-CG2 4.12Å; Y284-I316 HydrophobicContact CE1-CG2 4.32Å; Y284-E318 WeakPolarHBondContact CE2-OE1 3.35Å; Y284-E318 VanDerWaalsContact CZ-OE1 3.29Å; Y284-E318 VanDerWaalsContact OH-CG 3.28Å; Y284-E318 WeakPolarHBondContact OH-CG 3.06Å; Y284-E318 PolarHBondContact OH-OE1 2.04Å; Y284-H492 AromaticContact CD2-CD2 3.63Å; Y284-H492 AromaticContact CD2-CE1 3.85Å; Y284-H492 AromaticContact CD2-CG 3.87Å; Y284-H492 AromaticContact CD2-NE2 3.61Å; Y284-H492 AromaticContact CE2-CD2 3.42Å; Y284-H492 VanDerWaalsContact CE2-CD2 3.42Å; Y284-H492 WeakPolarHBondContact CE2-CD2 3.25Å; Y284-H492 AromaticContact CE2-CE1 3.72Å; Y284-H492 AromaticContact CE2-NE2 3.13Å; Y284-H492 WeakPolarHBondContact CE2-NE2 3.46Å; Y284-H492 AromaticContact CZ-CD2 3.85Å; Y284-H492 AromaticContact CZ-NE2 3.81Å; Y284-Y494 WeakPolarHBondContact CB-OH 3.48Å
285	H	68.2	Low	80.1	Confident	107 Å²	107	46.8 Å²	46.8	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-57.5	-32.7	171.9	-50.6	-86.6	0	0	0	113.2	R283 S289 Y494 E499	R283-H285 VanDerWaalsContact C-N 3.28Å; R283-H285 PolarHBondContact O-N 2.69Å; R283-H285 VanDerWaalsContact O-N 3.15Å; H285-S289 WeakPolarHBondContact O-CB 3.38Å; H285-S289 PolarHBondContact O-N 3.01Å; H285-Y494 PolarHBondContact N-OH 2.74Å; H285-Y494 AromaticContact ND1-CE1 3.58Å; H285-E499 IonicContact CE1-OE1 2.66Å; H285-E499 IonicContact CE1-OE2 3.54Å; H285-E499 PolarHBondContact CE1-OE2 3.27Å; H285-E499 IonicContact ND1-OE1 3.53Å; H285-E499 IonicContact ND1-OE2 2.76Å; H285-E499 PolarHBondContact ND1-OE2 3Å
286	Q	74.4	Confident	79.4	Confident	86 Å²	86	45.9 Å²	45.9	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-75.4	-34.2	176	-64.1	-176.8	-19.1	0	0	111.8	F280 R283 Y284 R290	F280-Q286 HydrophobicContact CD1-CB 4.01Å; F280-Q286 HydrophobicContact CE1-CB 4.15Å; R283-Q286 HydrophobicContact CB-CB 4.42Å; R283-Q286 HydrophobicContact CB-CG 4.39Å; R283-Q286 WeakPolarHBondContact O-CB 3.24Å; R283-Q286 PolarHBondContact O-N 3.31Å; Y284-Q286 PolarHBondContact O-N 3.3Å; Q286-R290 VanDerWaalsContact O-CB 3.32Å; Q286-R290 WeakPolarHBondContact O-CB 3.38Å; Q286-R290 PolarHBondContact O-N 3.04Å
287	L	80.8	Confident	79.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-46.3	172.7	173	56	0	0	0	111.1	V272 M276 F280 R283 Y284 R290 I291 I316	V272-L287 HydrophobicContact CG1-CD1 4.46Å; V272-L287 HydrophobicContact CG1-CD2 4.22Å; M276-L287 HydrophobicContact CE-CD1 3.53Å; M276-L287 HydrophobicContact CG-CD1 3.97Å; M276-L287 HydrophobicContact SD-CD1 4.43Å; F280-L287 HydrophobicContact CB-CB 4.24Å; F280-L287 HydrophobicContact CD1-CB 3.84Å; F280-L287 HydrophobicContact CD2-CB 4.14Å; F280-L287 HydrophobicContact CD2-CD1 3.95Å; F280-L287 HydrophobicContact CD2-CG 4.45Å; F280-L287 HydrophobicContact CE1-CB 4.29Å; F280-L287 HydrophobicContact CE2-CD1 3.98Å; F280-L287 HydrophobicContact CG-CB 3.77Å; F280-L287 HydrophobicContact CG-CD1 4.45Å; F280-L287 HydrophobicContact CZ-CD1 4.48Å; R283-L287 PolarHBondContact O-N 3.44Å; Y284-L287 HydrophobicContact CD1-CD2 4.37Å; Y284-L287 WeakPolarHBondContact O-CB 3.47Å; Y284-L287 PolarHBondContact O-N 2.89Å; L287-R290 WeakPolarHBondContact O-CB 3.26Å; L287-R290 PolarHBondContact O-N 2.81Å; L287-I291 HydrophobicContact CD1-CD1 3.86Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.96Å; L287-I291 WeakPolarHBondContact O-CD1 3.29Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.04Å; L287-I291 PolarHBondContact O-N 2.02Å; L287-I316 HydrophobicContact CD2-CD1 3.98Å; L287-I316 HydrophobicContact CD2-CG1 4.35Å; L287-I316 HydrophobicContact CD2-CG2 3.83Å; L287-I316 HydrophobicContact CG-CD1 4.28Å
288	V	76.4	Confident	79.2	Confident	19 Å²	19	47.9 Å²	47.9	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-47.9	178.4	175.4	0	0	0	0	110.9	Y284 R290 I291 N292 L314 I316 Y494	Y284-V288 WeakPolarHBondContact O-CG2 3.25Å; Y284-V288 PolarHBondContact O-N 2.7Å; V288-R290 VanDerWaalsContact C-N 3.27Å; V288-R290 PolarHBondContact O-N 3.23Å; V288-I291 PolarHBondContact O-N 2.92Å; V288-I291 VanDerWaalsContact O-N 3.07Å; V288-N292 PolarHBondContact O-N 2.96Å; V288-N292 PolarHBondContact O-OD1 3.28Å; V288-L314 HydrophobicContact CG1-CD2 4.41Å; V288-L314 HydrophobicContact CG2-CD2 4.13Å; V288-I316 HydrophobicContact CG2-CD1 3.67Å; V288-Y494 HydrophobicContact CB-CD1 4.23Å; V288-Y494 HydrophobicContact CB-CG 4.25Å; V288-Y494 HydrophobicContact CG1-CD1 4.03Å; V288-Y494 HydrophobicContact CG1-CG 4.1Å; V288-Y494 HydrophobicContact CG2-CD1 3.65Å; V288-Y494 HydrophobicContact CG2-CD2 3.36Å; V288-Y494 HydrophobicContact CG2-CE1 4.01Å; V288-Y494 HydrophobicContact CG2-CE2 3.74Å; V288-Y494 HydrophobicContact CG2-CG 3.3Å
289	S	70.3	Confident	78.8	Confident	53 Å²	53	45.7 Å²	45.7	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-52.1	-49.2	172.6	176.4	0	0	0	0	110.4	H285 I291 N292 M293	H285-S289 WeakPolarHBondContact O-CB 3.38Å; H285-S289 PolarHBondContact O-N 3.01Å; S289-I291 PolarHBondContact O-N 2.89Å; S289-N292 WeakPolarHBondContact O-CB 3.24Å; S289-N292 PolarHBondContact O-N 2.86Å; S289-M293 VanDerWaalsContact O-CG 3.27Å; S289-M293 WeakPolarHBondContact O-CG 3.31Å; S289-M293 PolarHBondContact O-N 3.32Å; S289-M293 VanDerWaalsContact O-N 3.14Å; S289-M293 WeakPolarHBondContact OG-CE 3.42Å
290	R	80.4	Confident	78.6	Confident	30 Å²	30	47.5 Å²	47.5	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-39.3	176.4	-178	-179.7	169.1	93	7.8	113.6	Q286 L287 V288 N292 M293 I294 F388	Q286-R290 VanDerWaalsContact O-CB 3.32Å; Q286-R290 WeakPolarHBondContact O-CB 3.38Å; Q286-R290 PolarHBondContact O-N 3.04Å; L287-R290 WeakPolarHBondContact O-CB 3.26Å; L287-R290 PolarHBondContact O-N 2.81Å; V288-R290 VanDerWaalsContact C-N 3.27Å; V288-R290 PolarHBondContact O-N 3.23Å; R290-N292 VanDerWaalsContact C-N 3.33Å; R290-M293 HydrophobicContact CB-SD 4.49Å; R290-M293 VanDerWaalsContact O-CB 3.32Å; R290-M293 WeakPolarHBondContact O-CB 3.39Å; R290-M293 PolarHBondContact O-N 2.88Å; R290-I294 HydrophobicContact CG-CD1 4.37Å; R290-I294 WeakPolarHBondContact O-CG1 3.01Å; R290-I294 PolarHBondContact O-N 3.36Å; R290-I294 VanDerWaalsContact O-N 3.09Å; R290-F388 VanDerWaalsContact CZ-O 3.27Å; R290-F388 PolarHBondContact NH1-O 3.27Å; R290-F388 VanDerWaalsContact NH2-C 3.32Å; R290-F388 PolarHBondContact NH2-O 3.49Å
291	I	83.6	Confident	78.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-41	176.7	-72.9	160.3	0	0	0	110.7	M270 V272 L287 V288 S289 M293 I294 I295 I311 L314 L353	M270-I291 HydrophobicContact CE-CG2 3.94Å; M270-I291 HydrophobicContact SD-CG2 3.63Å; V272-I291 HydrophobicContact CG2-CD1 3.61Å; L287-I291 HydrophobicContact CD1-CD1 3.86Å; L287-I291 HydrophobicContact CD1-CG1 4.33Å; L287-I291 HydrophobicContact CG-CD1 3.96Å; L287-I291 WeakPolarHBondContact O-CD1 3.29Å; L287-I291 VanDerWaalsContact O-CG1 3.29Å; L287-I291 WeakPolarHBondContact O-CG1 3.04Å; L287-I291 PolarHBondContact O-N 2.02Å; V288-I291 PolarHBondContact O-N 2.92Å; V288-I291 VanDerWaalsContact O-N 3.07Å; S289-I291 PolarHBondContact O-N 2.89Å; I291-M293 VanDerWaalsContact C-N 3.31Å; I291-M293 PolarHBondContact O-N 2.88Å; I291-I294 PolarHBondContact O-N 2.81Å; I291-I294 VanDerWaalsContact O-N 3.15Å; I291-I295 PolarHBondContact O-N 3.03Å; I291-I311 HydrophobicContact CG2-CD1 3.91Å; I291-L314 HydrophobicContact CD1-CD1 4.21Å; I291-L314 HydrophobicContact CD1-CD2 4.18Å; I291-L353 HydrophobicContact CG1-CD2 3.97Å
292	N	73.1	Confident	79.1	Confident	49 Å²	49	36.4 Å²	36.4	26%	0.262	19%	0.19	S	C	.	.	H	α-helix	trans	-62.5	-38.1	174.2	-64.7	11.6	0	0	0	111.4	V288 S289 R290 I294 I295 A296 L527	V288-N292 PolarHBondContact O-N 2.96Å; V288-N292 PolarHBondContact O-OD1 3.28Å; S289-N292 WeakPolarHBondContact O-CB 3.24Å; S289-N292 PolarHBondContact O-N 2.86Å; R290-N292 VanDerWaalsContact C-N 3.33Å; N292-I294 VanDerWaalsContact C-N 3.33Å; N292-I294 PolarHBondContact O-N 2.9Å; N292-I295 PolarHBondContact O-N 2.98Å; N292-A296 VanDerWaalsContact O-CB 3.3Å; N292-A296 WeakPolarHBondContact O-CB 3.45Å; N292-A296 PolarHBondContact O-N 2.68Å; N292-L527 HydrophobicContact CB-CD2 4.01Å
293	M	72.9	Confident	79.3	Confident	25 Å²	25	35.8 Å²	35.8	12%	0.123	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-43.3	173	-46	176.8	-170.9	0	0	112	S289 R290 I291 L297 I390 Y523	S289-M293 VanDerWaalsContact O-CG 3.27Å; S289-M293 WeakPolarHBondContact O-CG 3.31Å; S289-M293 PolarHBondContact O-N 3.32Å; S289-M293 VanDerWaalsContact O-N 3.14Å; S289-M293 WeakPolarHBondContact OG-CE 3.42Å; R290-M293 HydrophobicContact CB-SD 4.49Å; R290-M293 VanDerWaalsContact O-CB 3.32Å; R290-M293 WeakPolarHBondContact O-CB 3.39Å; R290-M293 PolarHBondContact O-N 2.88Å; I291-M293 VanDerWaalsContact C-N 3.31Å; I291-M293 PolarHBondContact O-N 2.88Å; M293-L297 PolarHBondContact O-N 2.94Å; M293-I390 HydrophobicContact CB-CD1 4.15Å; M293-I390 HydrophobicContact CB-CG2 3.96Å; M293-I390 HydrophobicContact CG-CD1 4.46Å; M293-I390 HydrophobicContact SD-CD1 3.49Å; M293-I390 WeakPolarHBondContact SD-CD1 2.95Å; M293-Y523 WeakPolarHBondContact CB-OH 3.1Å; M293-Y523 HydrophobicContact CE-CD1 3.69Å; M293-Y523 HydrophobicContact CE-CD2 4.01Å; M293-Y523 HydrophobicContact CE-CE1 3.61Å; M293-Y523 HydrophobicContact CE-CE2 3.91Å; M293-Y523 HydrophobicContact CE-CG 3.92Å; M293-Y523 HydrophobicContact CG-CE1 3.58Å; M293-Y523 HydrophobicContact CG-CE2 4.32Å; M293-Y523 VanDerWaalsContact CG-CZ 3.44Å; M293-Y523 WeakPolarHBondContact CG-OH 3.35Å; M293-Y523 HydrophobicContact SD-CD1 4.42Å; M293-Y523 HydrophobicContact SD-CD2 4.27Å; M293-Y523 HydrophobicContact SD-CE1 3.78Å; M293-Y523 HydrophobicContact SD-CE2 3.58Å; M293-Y523 VanDerWaalsContact SD-CE2 3.58Å; M293-Y523 PolarHBondContact SD-OH 3.3Å
294	I	84.9	Confident	79.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-49.2	179.7	-63.4	165.2	0	0	0	109.6	R290 I291 N292 L297 V298 L353 I390 T393 A394 I397	R290-I294 HydrophobicContact CG-CD1 4.37Å; R290-I294 WeakPolarHBondContact O-CG1 3.01Å; R290-I294 PolarHBondContact O-N 3.36Å; R290-I294 VanDerWaalsContact O-N 3.09Å; I291-I294 PolarHBondContact O-N 2.81Å; I291-I294 VanDerWaalsContact O-N 3.15Å; N292-I294 VanDerWaalsContact C-N 3.33Å; N292-I294 PolarHBondContact O-N 2.9Å; I294-L297 PolarHBondContact O-N 3.19Å; I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 2.81Å; I294-L353 HydrophobicContact CD1-CD2 4.13Å; I294-I390 HydrophobicContact CB-CG2 4.46Å; I294-I390 HydrophobicContact CG1-CG2 3.7Å; I294-T393 HydrophobicContact CD1-CG2 3.91Å; I294-T393 HydrophobicContact CG1-CG2 4.48Å; I294-T393 HydrophobicContact CG2-CG2 4.26Å; I294-A394 HydrophobicContact CG2-CB 4.04Å; I294-I397 HydrophobicContact CG2-CD1 3.64Å
295	I	84.5	Confident	79.9	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.046	18%	0.182	C	C	.	.	H	α-helix	trans	-72.1	-29.3	-177	-63.4	-56.3	0	0	0	112.6	L268 M270 I291 N292 L297 V298 N299 I311 I397	L268-I295 HydrophobicContact CD2-CD1 4.5Å; M270-I295 HydrophobicContact CE-CD1 4.42Å; M270-I295 HydrophobicContact SD-CD1 4.16Å; M270-I295 HydrophobicContact SD-CG1 4.07Å; I291-I295 PolarHBondContact O-N 3.03Å; N292-I295 PolarHBondContact O-N 2.98Å; I295-L297 PolarHBondContact O-N 2.04Å; I295-V298 HydrophobicContact CD1-CB 4.47Å; I295-V298 HydrophobicContact CD1-CG2 4.31Å; I295-V298 PolarHBondContact O-N 2.7Å; I295-N299 PolarHBondContact O-N 2.89Å; I295-I311 HydrophobicContact CB-CD1 4.39Å; I295-I311 HydrophobicContact CG1-CD1 3.91Å; I295-I311 HydrophobicContact CG1-CG1 4.29Å; I295-I311 HydrophobicContact CG2-CG1 4.32Å; I295-I397 HydrophobicContact CD1-CD1 4.33Å; I295-I397 HydrophobicContact CD1-CG2 4.45Å
296	A	73.8	Confident	80.4	Confident	29 Å²	29	29 Å²	29	24%	0.24	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-44.3	169.5	0	0	0	0	0	112	N292 N299 E300 N530	N292-A296 VanDerWaalsContact O-CB 3.3Å; N292-A296 WeakPolarHBondContact O-CB 3.45Å; N292-A296 PolarHBondContact O-N 2.68Å; A296-N299 PolarHBondContact O-N 2.83Å; A296-E300 PolarHBondContact O-N 3.4Å; A296-N530 HydrophobicContact CB-CB 3.88Å
297	L	81.1	Confident	80.9	Confident	45 Å²	45	24.9 Å²	24.9	24%	0.236	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-36	173.7	-68.1	178.7	0	0	0	112.5	M293 I294 I295 N299 E300 L301 I390 I391 A394	M293-L297 PolarHBondContact O-N 2.94Å; I294-L297 PolarHBondContact O-N 3.19Å; I295-L297 PolarHBondContact O-N 2.04Å; L297-N299 VanDerWaalsContact C-N 3.33Å; L297-E300 PolarHBondContact O-N 2.83Å; L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 3.09Å; L297-I390 HydrophobicContact CD1-CG2 3.89Å; L297-I391 HydrophobicContact CD1-CG1 4.09Å; L297-A394 HydrophobicContact CB-CB 3.64Å; L297-A394 HydrophobicContact CD1-CB 4.15Å
298	V	88.9	Confident	80.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-39	173.7	177.1	0	0	0	0	110.7	I294 I295 L301 F302 I309 A394 I397 L401	I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 2.81Å; I295-V298 HydrophobicContact CD1-CB 4.47Å; I295-V298 HydrophobicContact CD1-CG2 4.31Å; I295-V298 PolarHBondContact O-N 2.7Å; V298-L301 WeakPolarHBondContact O-CB 3.26Å; V298-L301 PolarHBondContact O-N 2.86Å; V298-F302 HydrophobicContact CG1-CD2 3.77Å; V298-F302 HydrophobicContact CG1-CE2 3.97Å; V298-F302 WeakPolarHBondContact O-CD2 3.4Å; V298-F302 PolarHBondContact O-N 3.08Å; V298-I309 HydrophobicContact CG1-CD1 3.56Å; V298-A394 HydrophobicContact CG2-CB 3.97Å; V298-A394 WeakPolarHBondContact CG2-O 3.41Å; V298-I397 HydrophobicContact CG1-CG2 4.41Å; V298-I397 HydrophobicContact CG2-CB 4Å; V298-I397 HydrophobicContact CG2-CG2 4Å; V298-L401 HydrophobicContact CG1-CD1 4.19Å
299	N	81.2	Confident	81.3	Confident	17 Å²	17	25.4 Å²	25.4	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-40.2	173.9	-79.6	-18.2	0	0	0	112.5	I295 A296 L297 L301 F302 A303 I309	I295-N299 PolarHBondContact O-N 2.89Å; A296-N299 PolarHBondContact O-N 2.83Å; L297-N299 VanDerWaalsContact C-N 3.33Å; N299-L301 VanDerWaalsContact C-N 3.27Å; N299-L301 PolarHBondContact O-N 2.84Å; N299-F302 PolarHBondContact O-N 3.22Å; N299-A303 WeakPolarHBondContact O-CB 3.23Å; N299-A303 PolarHBondContact O-N 3.2Å; N299-I309 PolarHBondContact ND2-O 2.79Å; N299-I309 WeakPolarHBondContact OD1-CA 3.43Å; N299-I309 WeakPolarHBondContact OD1-CB 3.07Å; N299-I309 PolarHBondContact OD1-N 2.99Å; N299-I309 PolarHBondContact OD1-O 3.18Å
300	E	79.8	Confident	81.8	Confident	94 Å²	94	23.4 Å²	23.4	44%	0.439	13%	0.131	S	C	.	.	H	α-helix	trans	-59.7	-38.7	171.5	-173.9	171.5	-152.4	0	0	111.7	A296 L297	A296-E300 PolarHBondContact O-N 3.4Å; L297-E300 PolarHBondContact O-N 2.83Å
301	L	87.7	Confident	81.8	Confident	11 Å²	11	23.8 Å²	23.8	6%	0.058	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-36.4	174.3	-72.1	-176.9	0	0	0	113.6	L297 V298 N299 P304 A398 I420 M432 W434	L297-L301 WeakPolarHBondContact O-CG 3.48Å; L297-L301 PolarHBondContact O-N 3.09Å; V298-L301 WeakPolarHBondContact O-CB 3.26Å; V298-L301 PolarHBondContact O-N 2.86Å; N299-L301 VanDerWaalsContact C-N 3.27Å; N299-L301 PolarHBondContact O-N 2.84Å; L301-P304 WeakPolarHBondContact O-CD 3.18Å; L301-A398 HydrophobicContact CB-CB 4.45Å; L301-A398 HydrophobicContact CD1-CB 3.53Å; L301-I420 HydrophobicContact CD1-CD1 4Å; L301-I420 HydrophobicContact CD2-CD1 3.71Å; L301-I420 HydrophobicContact CG-CD1 4.32Å; L301-M432 HydrophobicContact CD1-CE 3.66Å; L301-M432 HydrophobicContact CD1-SD 4.32Å; L301-M432 HydrophobicContact CD2-CB 3.93Å; L301-M432 HydrophobicContact CD2-CE 3.98Å; L301-M432 HydrophobicContact CD2-SD 4.45Å; L301-M432 HydrophobicContact CG-CE 3.91Å; L301-W434 PolarHBondContact O-NE1 2.91Å
302	F	89.7	Confident	81.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-89	-16	-177.9	-86.4	-75	0	0	0	114.7	V298 N299 P304 F305 I307 I309 A398 L401 F405 W434 L442	V298-F302 HydrophobicContact CG1-CD2 3.77Å; V298-F302 HydrophobicContact CG1-CE2 3.97Å; V298-F302 WeakPolarHBondContact O-CD2 3.4Å; V298-F302 PolarHBondContact O-N 3.08Å; N299-F302 PolarHBondContact O-N 3.22Å; F302-P304 VanDerWaalsContact C-N 3.3Å; F302-P304 VanDerWaalsContact O-N 3.14Å; F302-F305 HydrophobicContact CD1-CD2 4.21Å; F302-F305 WeakPolarHBondContact O-CB 3.24Å; F302-F305 PolarHBondContact O-N 3.04Å; F302-I307 CarbonylContact C-O 3.33Å; F302-I307 HydrophobicContact CB-CB 4.09Å; F302-I307 HydrophobicContact CB-CG2 4.12Å; F302-I307 HydrophobicContact CD1-CB 4.22Å; F302-I307 HydrophobicContact CD1-CD1 3.97Å; F302-I307 HydrophobicContact CD1-CG2 4.11Å; F302-I307 HydrophobicContact CE1-CD1 4.44Å; F302-I307 HydrophobicContact CG-CG2 4.26Å; F302-I309 HydrophobicContact CB-CD1 4.46Å; F302-I309 HydrophobicContact CD2-CD1 3.42Å; F302-I309 VanDerWaalsContact CD2-CD1 3.42Å; F302-I309 HydrophobicContact CE2-CD1 3.81Å; F302-I309 HydrophobicContact CG-CD1 4.05Å; F302-A398 HydrophobicContact CE2-CB 4.07Å; F302-L401 HydrophobicContact CE2-CB 4.07Å; F302-L401 HydrophobicContact CE2-CD1 4.19Å; F302-L401 HydrophobicContact CZ-CB 3.89Å; F302-F405 HydrophobicContact CD1-CE2 4.41Å; F302-F405 AromaticContact CE1-CD2 3.97Å; F302-F405 HydrophobicContact CE1-CD2 3.97Å; F302-F405 AromaticContact CE1-CE2 3.69Å; F302-F405 HydrophobicContact CE1-CE2 3.69Å; F302-F405 HydrophobicContact CZ-CD2 4.25Å; F302-F405 HydrophobicContact CZ-CE2 4.05Å; F302-W434 HydrophobicContact CD1-CZ2 4.24Å; F302-W434 HydrophobicContact CE1-CH2 4.07Å; F302-W434 AromaticContact CE1-CZ2 3.79Å; F302-W434 HydrophobicContact CE1-CZ2 3.79Å; F302-W434 HydrophobicContact CE2-CZ2 4.1Å; F302-W434 AromaticContact CZ-CH2 3.84Å; F302-W434 HydrophobicContact CZ-CH2 3.84Å; F302-W434 AromaticContact CZ-CZ2 3.71Å; F302-W434 HydrophobicContact CZ-CZ2 3.71Å; F302-L442 HydrophobicContact CE1-CD2 4.3Å
303	A	79.3	Confident	81.4	Confident	27 Å²	27	22.1 Å²	22.1	22%	0.223	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-51.7	-29.9	175.7	0	0	0	0	0	116.5	R257 N299 F305 N306	R257-A303 PolarHBondContact NH1-O 2.84Å; N299-A303 WeakPolarHBondContact O-CB 3.23Å; N299-A303 PolarHBondContact O-N 3.2Å; A303-F305 PolarHBondContact O-N 3.09Å; A303-N306 PolarHBondContact O-N 3.45Å
304	P	82.5	Confident	81.9	Confident	81 Å²	81	21.4 Å²	21.4	53%	0.526	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-67.6	-9.2	172.9	-21.9	35.3	0	0	0	115.2	L301 F302	L301-P304 WeakPolarHBondContact O-CD 3.18Å; F302-P304 VanDerWaalsContact C-N 3.3Å; F302-P304 VanDerWaalsContact O-N 3.14Å
305	F	84.5	Confident	82	Confident	19 Å²	19	21.6 Å²	21.6	8%	0.083	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-107.8	4.3	177	-63.3	-70.7	0	0	0	113.3	F302 A303 I307 W434 K439 L442 P443	F302-F305 HydrophobicContact CD1-CD2 4.21Å; F302-F305 WeakPolarHBondContact O-CB 3.24Å; F302-F305 PolarHBondContact O-N 3.04Å; A303-F305 PolarHBondContact O-N 3.09Å; F305-I307 HydrophobicContact CB-CB 4.43Å; F305-I307 HydrophobicContact CB-CD1 3.66Å; F305-I307 HydrophobicContact CB-CG1 3.94Å; F305-I307 HydrophobicContact CG-CD1 4.42Å; F305-I307 PolarHBondContact O-N 2.67Å; F305-W434 HydrophobicContact CE2-CB 4.49Å; F305-W434 AromaticContact CE2-CD1 3.66Å; F305-W434 AromaticContact CE2-CD2 3.84Å; F305-W434 HydrophobicContact CE2-CD2 3.84Å; F305-W434 AromaticContact CE2-CE2 3.77Å; F305-W434 AromaticContact CE2-CG 3.77Å; F305-W434 HydrophobicContact CE2-CG 3.77Å; F305-W434 HydrophobicContact CE2-CZ2 4.42Å; F305-W434 AromaticContact CE2-NE1 3.66Å; F305-W434 HydrophobicContact CZ-CB 4.4Å; F305-W434 HydrophobicContact CZ-CD2 4.33Å; F305-W434 HydrophobicContact CZ-CG 4.12Å; F305-K439 HydrophobicContact CZ-CG 4.31Å; F305-L442 HydrophobicContact CB-CD2 4.44Å; F305-L442 HydrophobicContact CD1-CB 4.13Å; F305-L442 HydrophobicContact CD1-CD2 3.87Å; F305-L442 HydrophobicContact CD1-CG 4.09Å; F305-L442 HydrophobicContact CD2-CD2 3.76Å; F305-L442 HydrophobicContact CE1-CB 3.77Å; F305-L442 HydrophobicContact CE1-CD2 3.94Å; F305-L442 HydrophobicContact CE1-CG 4.17Å; F305-L442 HydrophobicContact CE2-CD2 3.82Å; F305-L442 HydrophobicContact CG-CD2 3.77Å; F305-L442 HydrophobicContact CG-CG 4.4Å; F305-L442 HydrophobicContact CZ-CB 4.19Å; F305-L442 HydrophobicContact CZ-CD2 3.91Å; F305-P443 HydrophobicContact CD1-CG 4.1Å; F305-P443 HydrophobicContact CE1-CG 4.28Å
306	N	78.3	Confident	82	Confident	15 Å²	15	21.1 Å²	21.1	8%	0.08	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	40	-166.7	-159.7	20.6	0	0	0	112.5	S261 T263 Y264 A303	S261-N306 PolarHBondContact O-ND2 3.43Å; T263-N306 WeakPolarHBondContact CA-ND2 3.41Å; T263-N306 WeakPolarHBondContact CB-OD1 3.25Å; T263-N306 WeakPolarHBondContact CG2-OD1 3.28Å; T263-N306 PolarHBondContact OG1-ND2 2.94Å; T263-N306 PolarHBondContact OG1-OD1 3.34Å; Y264-N306 PolarHBondContact N-O 3.11Å; A303-N306 PolarHBondContact O-N 3.45Å
307	I	85.1	Confident	82.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.7	173.3	-66.3	164.9	0	0	0	108.6	Y264 V266 F302 F305 I309 F405 L442 L446	Y264-I307 HydrophobicContact CD2-CG1 4.44Å; Y264-I307 HydrophobicContact CG-CG1 4.48Å; Y264-I307 CarbonylContact O-C 3.6Å; Y264-I307 WeakPolarHBondContact O-CA 3.34Å; V266-I307 HydrophobicContact CG2-CG2 3.8Å; F302-I307 CarbonylContact C-O 3.33Å; F302-I307 HydrophobicContact CB-CB 4.09Å; F302-I307 HydrophobicContact CB-CG2 4.12Å; F302-I307 HydrophobicContact CD1-CB 4.22Å; F302-I307 HydrophobicContact CD1-CD1 3.97Å; F302-I307 HydrophobicContact CD1-CG2 4.11Å; F302-I307 HydrophobicContact CE1-CD1 4.44Å; F302-I307 HydrophobicContact CG-CG2 4.26Å; F305-I307 HydrophobicContact CB-CB 4.43Å; F305-I307 HydrophobicContact CB-CD1 3.66Å; F305-I307 HydrophobicContact CB-CG1 3.94Å; F305-I307 HydrophobicContact CG-CD1 4.42Å; F305-I307 PolarHBondContact O-N 2.67Å; I307-I309 HydrophobicContact CG2-CG1 4.48Å; I307-F405 HydrophobicContact CD1-CE1 4.03Å; I307-F405 HydrophobicContact CD1-CE2 4.24Å; I307-F405 HydrophobicContact CD1-CZ 3.71Å; I307-F405 HydrophobicContact CG2-CZ 4.2Å; I307-L442 HydrophobicContact CD1-CD2 3.97Å; I307-L442 HydrophobicContact CD1-CG 4.49Å; I307-L446 HydrophobicContact CD1-CD1 4.27Å
308	V	81.4	Confident	82.7	Confident	27 Å²	27	21.1 Å²	21.1	16%	0.164	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.3	171.7	179.2	0	0	0	0	109.6	V254 T263 Y264 V265 V266 V310	V254-V308 HydrophobicContact CG1-CB 4.05Å; V254-V308 HydrophobicContact CG1-CG1 3.87Å; V254-V308 HydrophobicContact CG1-CG2 3.77Å; V254-V308 HydrophobicContact CG2-CG1 4.13Å; T263-V308 HydrophobicContact CG2-CG2 3.95Å; Y264-V308 PolarHBondContact O-N 3.21Å; V265-V308 CarbonylContact C-O 3.5Å; V265-V308 VanDerWaalsContact CA-O 3.28Å; V265-V308 WeakPolarHBondContact CA-O 3.39Å; V266-V308 PolarHBondContact N-O 3.2Å; V308-V310 HydrophobicContact CG1-CG2 4.4Å
309	I	84.8	Confident	82.4	Confident	3 Å²	3	25.8 Å²	25.8	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.5	179.2	-65.2	145.4	0	0	0	109	V266 L268 V298 N299 F302 I307 L401	V266-I309 HydrophobicContact CB-CB 4.36Å; V266-I309 HydrophobicContact CB-CG1 3.78Å; V266-I309 HydrophobicContact CG1-CG1 4.44Å; V266-I309 HydrophobicContact CG2-CG1 3.83Å; L268-I309 HydrophobicContact CB-CG2 3.93Å; L268-I309 HydrophobicContact CD2-CG2 3.91Å; L268-I309 HydrophobicContact CG-CG2 4.42Å; V298-I309 HydrophobicContact CG1-CD1 3.56Å; N299-I309 PolarHBondContact ND2-O 2.79Å; N299-I309 WeakPolarHBondContact OD1-CA 3.43Å; N299-I309 WeakPolarHBondContact OD1-CB 3.07Å; N299-I309 PolarHBondContact OD1-N 2.99Å; N299-I309 PolarHBondContact OD1-O 3.18Å; F302-I309 HydrophobicContact CB-CD1 4.46Å; F302-I309 HydrophobicContact CD2-CD1 3.42Å; F302-I309 VanDerWaalsContact CD2-CD1 3.42Å; F302-I309 HydrophobicContact CE2-CD1 3.81Å; F302-I309 HydrophobicContact CG-CD1 4.05Å; I307-I309 HydrophobicContact CG2-CG1 4.48Å; I309-L401 HydrophobicContact CD1-CD1 3.66Å; I309-L401 HydrophobicContact CG1-CD1 4.47Å
310	V	79.8	Confident	82.6	Confident	10 Å²	10	26.6 Å²	26.6	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.1	-178.5	176.2	0	0	0	0	108.7	V252 V254 V265 V266 L268 V308 V312 P458	V252-V310 HydrophobicContact CB-CG1 4.32Å; V252-V310 HydrophobicContact CG1-CG1 3.92Å; V252-V310 HydrophobicContact CG1-CG2 4.21Å; V252-V310 HydrophobicContact CG2-CG1 4.15Å; V254-V310 HydrophobicContact CG2-CG2 4.24Å; V265-V310 HydrophobicContact CG1-CB 4.42Å; V265-V310 HydrophobicContact CG1-CG2 3.87Å; V266-V310 PolarHBondContact O-N 2.79Å; L268-V310 PolarHBondContact N-O 2.83Å; V308-V310 HydrophobicContact CG1-CG2 4.4Å; V310-V312 HydrophobicContact CG1-CG1 4.31Å; V310-V312 PolarHBondContact O-N 3.46Å; V310-P458 HydrophobicContact CB-CG 4.42Å; V310-P458 HydrophobicContact CG1-CG 4.23Å
311	I	80.5	Confident	82.6	Confident	39 Å²	39	25.7 Å²	25.7	20%	0.2	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	95.8	173.4	-47.7	175.4	0	0	0	108.5	L268 M270 I291 I295 R313 L314	L268-I311 CarbonylContact O-C 3.47Å; L268-I311 WeakPolarHBondContact O-CA 3.4Å; M270-I311 HydrophobicContact CB-CG2 3.99Å; M270-I311 HydrophobicContact SD-CD1 4.1Å; I291-I311 HydrophobicContact CG2-CD1 3.91Å; I295-I311 HydrophobicContact CB-CD1 4.39Å; I295-I311 HydrophobicContact CG1-CD1 3.91Å; I295-I311 HydrophobicContact CG1-CG1 4.29Å; I295-I311 HydrophobicContact CG2-CG1 4.32Å; I311-R313 VanDerWaalsContact C-N 3.27Å; I311-R313 WeakPolarHBondContact CG2-O 3.39Å; I311-L314 HydrophobicContact CG2-CB 4.11Å
312	V	70.4	Confident	82.4	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-20.7	176.1	-65.1	0	0	0	0	112.3	E267 L268 V310 R346 H347 P458	E267-V312 HydrophobicContact CB-CG1 3.83Å; E267-V312 HydrophobicContact CB-CG2 4Å; E267-V312 HydrophobicContact CG-CG1 3.88Å; L268-V312 PolarHBondContact O-N 2.86Å; V310-V312 HydrophobicContact CG1-CG1 4.31Å; V310-V312 PolarHBondContact O-N 3.46Å; V312-R346 WeakPolarHBondContact CG2-O 3.36Å; V312-H347 HydrophobicContact CG2-CB 3.83Å; V312-P458 HydrophobicContact CG1-CB 4.06Å; V312-P458 HydrophobicContact CG1-CG 4.28Å
313	R	77.9	Confident	81.9	Confident	12 Å²	12	30.2 Å²	30.2	5%	0.045	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	128.9	176.4	177.6	56.5	160	-96.8	-29.5	110.8	F269 M270 I311 E315 N344 V345 T464	F269-R313 CarbonylContact C-O 3.52Å; F269-R313 WeakPolarHBondContact CA-O 3.4Å; F269-R313 HydrophobicContact CD1-CB 4.32Å; F269-R313 HydrophobicContact CD1-CG 4Å; F269-R313 HydrophobicContact CD2-CB 3.94Å; F269-R313 HydrophobicContact CD2-CG 3.85Å; F269-R313 HydrophobicContact CE1-CG 3.71Å; F269-R313 HydrophobicContact CE2-CB 4.17Å; F269-R313 HydrophobicContact CE2-CG 3.56Å; F269-R313 HydrophobicContact CG-CB 4.03Å; F269-R313 HydrophobicContact CG-CG 4.07Å; F269-R313 HydrophobicContact CZ-CB 4.45Å; F269-R313 HydrophobicContact CZ-CG 3.49Å; F269-R313 VanDerWaalsContact CZ-CG 3.49Å; M270-R313 PolarHBondContact N-O 3.27Å; I311-R313 VanDerWaalsContact C-N 3.27Å; I311-R313 WeakPolarHBondContact CG2-O 3.39Å; R313-E315 HydrophobicContact CG-CG 4.42Å; R313-E315 IonicContact CZ-OE1 3.04Å; R313-E315 IonicContact NE-OE1 3.41Å; R313-E315 PolarHBondContact NE-OE1 2.04Å; R313-E315 IonicContact NH2-OE1 3.97Å; R313-E315 PolarHBondContact NH2-OE1 3.28Å; R313-N344 PolarHBondContact NH2-OD1 3.39Å; R313-V345 HydrophobicContact CB-CB 4.37Å; R313-V345 HydrophobicContact CB-CG1 4.47Å; R313-V345 HydrophobicContact CB-CG2 4.19Å; R313-V345 HydrophobicContact CG-CG2 4.05Å; R313-T464 PolarHBondContact NH1-O 3.26Å; R313-T464 VanDerWaalsContact NH1-O 3.11Å
314	L	84.6	Confident	81.9	Confident	10 Å²	10	29.8 Å²	29.8	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.5	167.9	178.9	60.3	0	0	0	109.2	M270 V272 V288 I291 I311 I316 I493	M270-L314 HydrophobicContact CB-CD1 3.97Å; M270-L314 HydrophobicContact CG-CD1 4.14Å; M270-L314 WeakPolarHBondContact O-CA 3.42Å; V272-L314 HydrophobicContact CG2-CD1 3.93Å; V288-L314 HydrophobicContact CG1-CD2 4.41Å; V288-L314 HydrophobicContact CG2-CD2 4.13Å; I291-L314 HydrophobicContact CD1-CD1 4.21Å; I291-L314 HydrophobicContact CD1-CD2 4.18Å; I311-L314 HydrophobicContact CG2-CB 4.11Å; L314-I316 HydrophobicContact CD2-CD1 4.49Å; L314-I316 HydrophobicContact CG-CG1 4.34Å; L314-I493 VanDerWaalsContact O-CG2 3.32Å; L314-I493 WeakPolarHBondContact O-CG2 3.45Å
315	E	85.5	Confident	81.6	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121	167.9	-71.6	-166.7	-174.5	0	0	110.6	F269 M270 V271 V272 R313 W317 R321 V491	F269-E315 HydrophobicContact CE1-CB 4.33Å; F269-E315 HydrophobicContact CE1-CG 3.94Å; F269-E315 HydrophobicContact CZ-CG 4.07Å; M270-E315 PolarHBondContact O-N 2.68Å; V271-E315 CarbonylContact C-O 3.35Å; V271-E315 WeakPolarHBondContact CA-O 3.44Å; V271-E315 HydrophobicContact CG1-CB 3.88Å; V272-E315 PolarHBondContact N-O 2.79Å; R313-E315 HydrophobicContact CG-CG 4.42Å; R313-E315 IonicContact CZ-OE1 3.04Å; R313-E315 IonicContact NE-OE1 3.41Å; R313-E315 PolarHBondContact NE-OE1 2.04Å; R313-E315 IonicContact NH2-OE1 3.97Å; R313-E315 PolarHBondContact NH2-OE1 3.28Å; E315-W317 PolarHBondContact OE2-NE1 3.25Å; E315-R321 IonicContact OE1-NH1 3.01Å; E315-R321 IonicContact OE2-CZ 3.52Å; E315-R321 IonicContact OE2-NH1 3.24Å; E315-R321 PolarHBondContact OE2-NH1 3.27Å; E315-V491 HydrophobicContact CB-CG1 3.61Å; E315-V491 HydrophobicContact CG-CG1 3.64Å
316	I	86.1	Confident	81	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.3	171.5	-57.3	168.1	0	0	0	108.2	V272 A277 Y284 L287 V288 L314 V491 H492 Y494	V272-I316 HydrophobicContact CB-CG1 4.26Å; V272-I316 HydrophobicContact CB-CG2 4.41Å; V272-I316 HydrophobicContact CG2-CG1 4.15Å; A277-I316 HydrophobicContact CB-CG2 3.82Å; Y284-I316 HydrophobicContact CD1-CG2 4.12Å; Y284-I316 HydrophobicContact CE1-CG2 4.32Å; L287-I316 HydrophobicContact CD2-CD1 3.98Å; L287-I316 HydrophobicContact CD2-CG1 4.35Å; L287-I316 HydrophobicContact CD2-CG2 3.83Å; L287-I316 HydrophobicContact CG-CD1 4.28Å; V288-I316 HydrophobicContact CG2-CD1 3.67Å; L314-I316 HydrophobicContact CD2-CD1 4.49Å; L314-I316 HydrophobicContact CG-CG1 4.34Å; I316-V491 WeakPolarHBondContact O-CA 3.46Å; I316-H492 HydrophobicContact CB-CB 4.37Å; I316-H492 PolarHBondContact N-O 2.98Å; I316-H492 VanDerWaalsContact N-O 3.13Å; I316-H492 PolarHBondContact O-N 2.74Å; I316-H492 VanDerWaalsContact O-N 3.16Å; I316-Y494 HydrophobicContact CD1-CD2 3.87Å; I316-Y494 HydrophobicContact CD1-CE2 4.13Å
317	W	87.2	Confident	80.7	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.9	-176.2	-61.8	-9.6	0	0	0	111.4	V271 V272 E274 A277 E315 D320 R321 V322 L324 F338	V271-W317 HydrophobicContact CB-CZ2 4.31Å; V271-W317 HydrophobicContact CG1-CH2 4.46Å; V271-W317 HydrophobicContact CG1-CZ2 3.56Å; V272-W317 WeakPolarHBondContact O-CB 3.39Å; V272-W317 PolarHBondContact O-N 2.99Å; E274-W317 WeakPolarHBondContact CA-O 3.44Å; A277-W317 WeakPolarHBondContact CB-O 3.04Å; E315-W317 PolarHBondContact OE2-NE1 3.25Å; W317-D320 HydrophobicContact CE3-CB 4.37Å; W317-R321 HydrophobicContact CD2-CB 4.05Å; W317-R321 HydrophobicContact CD2-CG 3.82Å; W317-R321 HydrophobicContact CE3-CB 4.21Å; W317-R321 HydrophobicContact CE3-CG 4.4Å; W317-R321 VanDerWaalsContact CE3-N 3.31Å; W317-R321 HydrophobicContact CG-CG 4.01Å; W317-R321 HydrophobicContact CH2-CB 3.95Å; W317-R321 HydrophobicContact CZ2-CB 3.8Å; W317-R321 HydrophobicContact CZ2-CG 4.16Å; W317-R321 HydrophobicContact CZ3-CB 4.14Å; W317-R321 VanDerWaalsContact NE1-CD 3.33Å; W317-V322 HydrophobicContact CH2-CG2 4.05Å; W317-V322 HydrophobicContact CZ3-CG2 4.15Å; W317-L324 HydrophobicContact CE3-CD1 4.26Å; W317-L324 HydrophobicContact CZ3-CD1 3.78Å; W317-L324 HydrophobicContact CZ3-CG 4.31Å; W317-F338 HydrophobicContact CH2-CD2 4Å; W317-F338 HydrophobicContact CH2-CE2 4.13Å; W317-F338 HydrophobicContact CH2-CG 4.24Å; W317-F338 HydrophobicContact CH2-CZ 4.47Å; W317-F338 HydrophobicContact CZ2-CD1 4.23Å; W317-F338 AromaticContact CZ2-CD2 3.85Å; W317-F338 HydrophobicContact CZ2-CD2 3.85Å; W317-F338 AromaticContact CZ2-CE1 3.92Å; W317-F338 HydrophobicContact CZ2-CE1 3.92Å; W317-F338 AromaticContact CZ2-CE2 3.51Å; W317-F338 HydrophobicContact CZ2-CE2 3.51Å; W317-F338 HydrophobicContact CZ2-CG 4.22Å; W317-F338 AromaticContact CZ2-CZ 3.56Å; W317-F338 HydrophobicContact CZ2-CZ 3.56Å
318	E	82.3	Confident	80.3	Confident	72 Å²	72	42.4 Å²	42.4	34%	0.336	21%	0.211	S	C	.	.	S	Bend	trans	-74	-16.9	167.3	-66.8	-165.7	175	0	0	113	Y284 V490 H492	Y284-E318 WeakPolarHBondContact CE2-OE1 3.35Å; Y284-E318 VanDerWaalsContact CZ-OE1 3.29Å; Y284-E318 VanDerWaalsContact OH-CG 3.28Å; Y284-E318 WeakPolarHBondContact OH-CG 3.06Å; Y284-E318 PolarHBondContact OH-OE1 2.04Å; E318-V490 HydrophobicContact CB-CB 4.12Å; E318-V490 HydrophobicContact CG-CB 3.96Å; E318-V490 HydrophobicContact CG-CG1 4.25Å; E318-V490 WeakPolarHBondContact CG-O 3.34Å; E318-V490 PolarHBondContact N-O 2.9Å; E318-V490 VanDerWaalsContact N-O 3.14Å; E318-V490 WeakPolarHBondContact OE2-CB 3.34Å; E318-H492 IonicContact OE1-CD2 2.77Å; E318-H492 IonicContact OE1-CE1 3.39Å; E318-H492 IonicContact OE1-NE2 3.66Å; E318-H492 PolarHBondContact OE1-NE2 2.7Å
319	Q	82.8	Confident	79.9	Confident	97 Å²	97	47.3 Å²	47.3	45%	0.453	23%	0.232	S	C	.	.	S	Bend	trans	-147	133.4	172.3	-68.5	-175.6	-22.9	0	0	108	E274 R321	E274-Q319 WeakPolarHBondContact OE2-CA 3.19Å; Q319-R321 PolarHBondContact O-N 3.46Å
320	D	84.2	Confident	79.8	Confident	34 Å²	34	51.9 Å²	51.9	18%	0.182	25%	0.253	C	S	.	.			trans	-59.1	125.9	-173.9	-80.6	-19.3	0	0	0	113	E274 W317 V322	E274-D320 WeakPolarHBondContact CB-OD1 3.28Å; E274-D320 PolarHBondContact N-OD1 2.9Å; E274-D320 PolarHBondContact OE2-N 2.84Å; E274-D320 VanDerWaalsContact OE2-N 3.17Å; W317-D320 HydrophobicContact CE3-CB 4.37Å; D320-V322 VanDerWaalsContact C-N 3.3Å; D320-V322 WeakPolarHBondContact CB-O 2.89Å; D320-V322 PolarHBondContact O-N 2.79Å
321	R	80.4	Confident	80.3	Confident	75 Å²	75	51.4 Å²	51.4	28%	0.283	25%	0.25	S	S	.	.	S	Bend	trans	-78.1	-11.8	-178.4	-62.8	-173.9	68.7	-166.5	-3.1	114.3	E315 W317 Q319 F338 S489	E315-R321 IonicContact OE1-NH1 3.01Å; E315-R321 IonicContact OE2-CZ 3.52Å; E315-R321 IonicContact OE2-NH1 3.24Å; E315-R321 PolarHBondContact OE2-NH1 3.27Å; W317-R321 HydrophobicContact CD2-CB 4.05Å; W317-R321 HydrophobicContact CD2-CG 3.82Å; W317-R321 HydrophobicContact CE3-CB 4.21Å; W317-R321 HydrophobicContact CE3-CG 4.4Å; W317-R321 VanDerWaalsContact CE3-N 3.31Å; W317-R321 HydrophobicContact CG-CG 4.01Å; W317-R321 HydrophobicContact CH2-CB 3.95Å; W317-R321 HydrophobicContact CZ2-CB 3.8Å; W317-R321 HydrophobicContact CZ2-CG 4.16Å; W317-R321 HydrophobicContact CZ3-CB 4.14Å; W317-R321 VanDerWaalsContact NE1-CD 3.33Å; Q319-R321 PolarHBondContact O-N 3.46Å; R321-F338 HydrophobicContact CB-CD2 4.23Å; R321-F338 HydrophobicContact CB-CE2 3.88Å; R321-S489 WeakPolarHBondContact CG-OG 3.18Å
322	V	82.8	Confident	80.7	Confident	29 Å²	29	50 Å²	50	18%	0.176	24%	0.243	C	C	.	.	S	Bend	trans	-144.8	158	170.2	-67.9	0	0	0	0	108.5	W317 D320 L324 A334 F338	W317-V322 HydrophobicContact CH2-CG2 4.05Å; W317-V322 HydrophobicContact CZ3-CG2 4.15Å; D320-V322 VanDerWaalsContact C-N 3.3Å; D320-V322 WeakPolarHBondContact CB-O 2.89Å; D320-V322 PolarHBondContact O-N 2.79Å; V322-L324 HydrophobicContact CG2-CD2 3.89Å; V322-L324 HydrophobicContact CG2-CG 4.27Å; V322-L324 PolarHBondContact O-N 3.18Å; V322-A334 HydrophobicContact CG2-CB 4.44Å; V322-F338 HydrophobicContact CG1-CB 3.92Å; V322-F338 HydrophobicContact CG1-CD2 4.11Å; V322-F338 HydrophobicContact CG1-CG 4.49Å; V322-F338 HydrophobicContact CG2-CB 4.39Å
323	S	79.8	Confident	81.4	Confident	78 Å²	78	54.1 Å²	54.1	55%	0.545	27%	0.268	S	S	.	.			trans	-67.9	99.4	176.4	-169.6	0	0	0	0	111.1	K325 V326	S323-K325 VanDerWaalsContact C-N 3.32Å; S323-V326 WeakPolarHBondContact O-CG1 3.34Å
324	L	80.2	Confident	81.8	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.089	27%	0.272	C	S	.	.			trans	-84.2	-11.8	170	-61.5	178.5	0	0	0	111.9	D273 W317 V322 V326 L331 L335 L354	D273-L324 HydrophobicContact CB-CD1 3.67Å; W317-L324 HydrophobicContact CE3-CD1 4.26Å; W317-L324 HydrophobicContact CZ3-CD1 3.78Å; W317-L324 HydrophobicContact CZ3-CG 4.31Å; V322-L324 HydrophobicContact CG2-CD2 3.89Å; V322-L324 HydrophobicContact CG2-CG 4.27Å; V322-L324 PolarHBondContact O-N 3.18Å; L324-V326 PolarHBondContact O-N 3.49Å; L324-L331 HydrophobicContact CB-CD2 4.03Å; L324-L331 HydrophobicContact CD2-CD2 3.72Å; L324-L331 HydrophobicContact CG-CD2 4.49Å; L324-L331 WeakPolarHBondContact O-CD2 3.37Å; L324-L335 HydrophobicContact CD2-CD2 3.98Å; L324-L335 HydrophobicContact CD2-CG 4.34Å; L324-L354 HydrophobicContact CD1-CD2 3.82Å
325	K	74.6	Confident	82.1	Confident	147 Å²	147	53.8 Å²	53.8	64%	0.639	27%	0.269	S	S	*	.	S	Bend	trans	-80.5	44.1	177	-65.5	163.8	-174.2	162.4	0	111.2	E274 S323	E274-K325 IonicContact OE1-NZ 2.85Å; E274-K325 PolarHBondContact OE1-NZ 2.8Å; E274-K325 IonicContact OE2-NZ 3.96Å; S323-K325 VanDerWaalsContact C-N 3.32Å
326	V	72	Confident	82	Confident	48 Å²	48	53.9 Å²	53.9	29%	0.291	27%	0.271	S	S	.	.	S	Bend	trans	-111.9	173.1	178.8	-64.8	0	0	0	0	111.4	S323 L324 H330 L331	S323-V326 WeakPolarHBondContact O-CG1 3.34Å; L324-V326 PolarHBondContact O-N 3.49Å; V326-H330 HydrophobicContact CB-CB 4.24Å; V326-H330 HydrophobicContact CG2-CB 4Å; V326-L331 HydrophobicContact CG2-CD2 4.24Å; V326-L331 HydrophobicContact CG2-CG 4.08Å
327	E	72.6	Confident	81.6	Confident	143 Å²	143	57.8 Å²	57.8	67%	0.668	29%	0.289	S	S	*	.			trans	-63.9	152.4	170.5	-62.3	-168.1	172.5	0	0	112.2	H329 H330 L331	E327-H329 PolarHBondContact O-N 2.03Å; E327-H329 VanDerWaalsContact O-N 3.13Å; E327-H330 PolarHBondContact O-N 2.85Å; E327-L331 PolarHBondContact O-N 3.38Å
328	E	76.3	Confident	81.4	Confident	43 Å²	43	57.7 Å²	57.7	20%	0.201	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.9	-169.2	-53.1	-161.8	124.5	0	0	114.1	H330 S361 T363 R383	E328-H330 VanDerWaalsContact C-N 3.34Å; E328-S361 WeakPolarHBondContact OE1-CB 3.35Å; E328-S361 PolarHBondContact OE1-OG 3.42Å; E328-S361 PolarHBondContact OE2-OG 3.49Å; E328-S361 VanDerWaalsContact OE2-OG 3.11Å; E328-T363 WeakPolarHBondContact OE2-CB 3.27Å; E328-T363 PolarHBondContact OE2-OG1 2.96Å; E328-R383 IonicContact OE1-CZ 3.61Å; E328-R383 IonicContact OE1-NH1 3.59Å; E328-R383 PolarHBondContact OE1-NH1 3.25Å; E328-R383 IonicContact OE1-NH2 3.57Å; E328-R383 PolarHBondContact OE1-NH2 3.19Å
329	H	73.7	Confident	81.5	Confident	129 Å²	129	54.3 Å²	54.3	60%	0.597	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.6	171.5	-164.8	108.1	0	0	0	111.9	E327	E327-H329 PolarHBondContact O-N 2.03Å; E327-H329 VanDerWaalsContact O-N 3.13Å
330	H	82.9	Confident	80.9	Confident	99 Å²	99	51 Å²	51	46%	0.458	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17.5	-175.7	-64.6	-51.3	0	0	0	114.1	V326 E327 E328 L332 T333 A334	V326-H330 HydrophobicContact CB-CB 4.24Å; V326-H330 HydrophobicContact CG2-CB 4Å; E327-H330 PolarHBondContact O-N 2.85Å; E328-H330 VanDerWaalsContact C-N 3.34Å; H330-L332 VanDerWaalsContact C-N 3.32Å; H330-L332 PolarHBondContact O-N 3.34Å; H330-T333 WeakPolarHBondContact O-CB 3.16Å; H330-T333 PolarHBondContact O-N 3.39Å; H330-A334 PolarHBondContact O-N 3.06Å
331	L	89.2	Confident	80.1	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-52.4	-45.5	176.7	-90.9	172.3	0	0	0	113	L324 V326 E327 T333 A334 L335 L354 Y381	L324-L331 HydrophobicContact CB-CD2 4.03Å; L324-L331 HydrophobicContact CD2-CD2 3.72Å; L324-L331 HydrophobicContact CG-CD2 4.49Å; L324-L331 WeakPolarHBondContact O-CD2 3.37Å; V326-L331 HydrophobicContact CG2-CD2 4.24Å; V326-L331 HydrophobicContact CG2-CG 4.08Å; E327-L331 PolarHBondContact O-N 3.38Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.14Å; L331-A334 PolarHBondContact O-N 3.19Å; L331-L335 WeakPolarHBondContact O-CG 2.99Å; L331-L335 PolarHBondContact O-N 3.01Å; L331-L354 HydrophobicContact CD1-CD1 4.19Å; L331-L354 HydrophobicContact CD2-CD1 4.39Å; L331-Y381 HydrophobicContact CB-CD1 3.96Å; L331-Y381 HydrophobicContact CB-CE1 3.61Å; L331-Y381 HydrophobicContact CD1-CD1 4.23Å; L331-Y381 HydrophobicContact CD1-CD2 4.45Å; L331-Y381 HydrophobicContact CD1-CE1 3.71Å; L331-Y381 HydrophobicContact CD1-CE2 3.99Å; L331-Y381 HydrophobicContact CG-CE1 4.3Å
332	L	89.8	Confident	79.8	Confident	9 Å²	9	51 Å²	51	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-65.8	-35.7	178.7	-66.9	174.8	0	0	0	112.3	H330 A336 K366 V379 Y381	H330-L332 VanDerWaalsContact C-N 3.32Å; H330-L332 PolarHBondContact O-N 3.34Å; L332-A336 VanDerWaalsContact O-CB 3.26Å; L332-A336 WeakPolarHBondContact O-CB 3.04Å; L332-A336 PolarHBondContact O-N 3.46Å; L332-K366 HydrophobicContact CD1-CB 4.12Å; L332-K366 HydrophobicContact CD1-CD 3.87Å; L332-K366 HydrophobicContact CD1-CG 3.88Å; L332-K366 WeakPolarHBondContact CD2-O 3.01Å; L332-V379 HydrophobicContact CB-CG2 4.41Å; L332-V379 HydrophobicContact CD2-CG2 4.12Å; L332-Y381 HydrophobicContact CD2-CD1 4Å; L332-Y381 HydrophobicContact CD2-CE1 4.44Å; L332-Y381 HydrophobicContact CG-CD1 4.42Å; L332-Y381 HydrophobicContact CG-CE1 4.41Å
333	T	84.6	Confident	79.3	Confident	88 Å²	88	49.8 Å²	49.8	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-66.7	-42.9	174.9	-51.8	0	0	0	0	111.3	H330 L331 A336 Q337	H330-T333 WeakPolarHBondContact O-CB 3.16Å; H330-T333 PolarHBondContact O-N 3.39Å; L331-T333 VanDerWaalsContact C-N 3.33Å; L331-T333 PolarHBondContact O-N 3.14Å; T333-A336 PolarHBondContact O-N 3.36Å; T333-Q337 WeakPolarHBondContact O-CB 3.42Å; T333-Q337 PolarHBondContact O-N 3.15Å
334	A	87.4	Confident	78.6	Confident	14 Å²	14	50.8 Å²	50.8	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-42.1	176.7	0	0	0	0	0	112.3	V322 H330 L331 Q337 F338	V322-A334 HydrophobicContact CG2-CB 4.44Å; H330-A334 PolarHBondContact O-N 3.06Å; L331-A334 PolarHBondContact O-N 3.19Å; A334-Q337 PolarHBondContact O-N 3.21Å; A334-F338 PolarHBondContact O-N 3.25Å
335	L	89.8	Confident	77.9	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-40.1	175.7	-69.3	171.4	0	0	0	112.3	L324 L331 Q337 F338 K339 L350 A352 V379 Y381	L324-L335 HydrophobicContact CD2-CD2 3.98Å; L324-L335 HydrophobicContact CD2-CG 4.34Å; L331-L335 WeakPolarHBondContact O-CG 2.99Å; L331-L335 PolarHBondContact O-N 3.01Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3Å; L335-F338 PolarHBondContact O-N 3.32Å; L335-K339 WeakPolarHBondContact O-CB 3.03Å; L335-K339 PolarHBondContact O-N 3.07Å; L335-L350 HydrophobicContact CB-CD2 4.27Å; L335-L350 HydrophobicContact CD2-CD2 4.28Å; L335-A352 HydrophobicContact CD1-CB 3.74Å; L335-A352 HydrophobicContact CD2-CB 3.82Å; L335-A352 HydrophobicContact CG-CB 4.46Å; L335-V379 HydrophobicContact CB-CB 4.27Å; L335-V379 HydrophobicContact CB-CG1 4.31Å; L335-Y381 HydrophobicContact CD1-CD1 4.4Å
336	A	83.6	Confident	77.7	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-39.9	173.9	0	0	0	0	0	111.8	L332 T333 K339 R340 V379	L332-A336 VanDerWaalsContact O-CB 3.26Å; L332-A336 WeakPolarHBondContact O-CB 3.04Å; L332-A336 PolarHBondContact O-N 3.46Å; T333-A336 PolarHBondContact O-N 3.36Å; A336-K339 PolarHBondContact O-N 3.45Å; A336-R340 WeakPolarHBondContact O-CD 3.03Å; A336-R340 VanDerWaalsContact O-CG 3.22Å; A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 3.01Å; A336-R340 VanDerWaalsContact O-N 3.15Å; A336-R340 PolarHBondContact O-NE 2.93Å; A336-V379 HydrophobicContact CB-CG1 4.39Å; A336-V379 HydrophobicContact CB-CG2 4.1Å
337	Q	78.4	Confident	78	Confident	82 Å²	82	43.2 Å²	43.2	38%	0.383	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-45	173.5	-170.8	180	5.6	0	0	111.4	T333 A334 L335 K339 R340 M341 W701	T333-Q337 WeakPolarHBondContact O-CB 3.42Å; T333-Q337 PolarHBondContact O-N 3.15Å; A334-Q337 PolarHBondContact O-N 3.21Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3Å; Q337-K339 PolarHBondContact O-N 3.2Å; Q337-R340 PolarHBondContact O-N 3.02Å; Q337-M341 HydrophobicContact CG-CG 4.32Å; Q337-M341 WeakPolarHBondContact O-CB 3.05Å; Q337-M341 WeakPolarHBondContact O-CG 2.95Å; Q337-M341 PolarHBondContact O-N 2.87Å; Q337-M341 VanDerWaalsContact O-N 3.11Å; Q337-W701 HydrophobicContact CG-CB 4.21Å
338	F	83.3	Confident	78.4	Confident	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-55.8	-49.7	173.8	175.4	-93.6	0	0	0	111.6	F269 V271 W317 R321 V322 A334 L335 R340 M341 H342 L350	F269-F338 HydrophobicContact CE1-CE1 4.44Å; F269-F338 HydrophobicContact CZ-CE1 4.49Å; V271-F338 HydrophobicContact CG1-CE1 4.32Å; W317-F338 HydrophobicContact CH2-CD2 4Å; W317-F338 HydrophobicContact CH2-CE2 4.13Å; W317-F338 HydrophobicContact CH2-CG 4.24Å; W317-F338 HydrophobicContact CH2-CZ 4.47Å; W317-F338 HydrophobicContact CZ2-CD1 4.23Å; W317-F338 AromaticContact CZ2-CD2 3.85Å; W317-F338 HydrophobicContact CZ2-CD2 3.85Å; W317-F338 AromaticContact CZ2-CE1 3.92Å; W317-F338 HydrophobicContact CZ2-CE1 3.92Å; W317-F338 AromaticContact CZ2-CE2 3.51Å; W317-F338 HydrophobicContact CZ2-CE2 3.51Å; W317-F338 HydrophobicContact CZ2-CG 4.22Å; W317-F338 AromaticContact CZ2-CZ 3.56Å; W317-F338 HydrophobicContact CZ2-CZ 3.56Å; R321-F338 HydrophobicContact CB-CD2 4.23Å; R321-F338 HydrophobicContact CB-CE2 3.88Å; V322-F338 HydrophobicContact CG1-CB 3.92Å; V322-F338 HydrophobicContact CG1-CD2 4.11Å; V322-F338 HydrophobicContact CG1-CG 4.49Å; V322-F338 HydrophobicContact CG2-CB 4.39Å; A334-F338 PolarHBondContact O-N 3.25Å; L335-F338 PolarHBondContact O-N 3.32Å; F338-R340 PolarHBondContact O-N 3.05Å; F338-M341 PolarHBondContact O-N 3.13Å; F338-H342 HydrophobicContact CD2-CB 3.95Å; F338-H342 AromaticContact CD2-CG 3.98Å; F338-H342 AromaticContact CD2-ND1 3.3Å; F338-H342 VanDerWaalsContact CD2-ND1 3.3Å; F338-H342 WeakPolarHBondContact CD2-ND1 2.95Å; F338-H342 HydrophobicContact CE1-CB 4.46Å; F338-H342 HydrophobicContact CE2-CB 3.54Å; F338-H342 AromaticContact CE2-CG 3.85Å; F338-H342 AromaticContact CE2-ND1 3.59Å; F338-H342 HydrophobicContact CZ-CB 3.82Å; F338-H342 WeakPolarHBondContact O-CB 3.27Å; F338-H342 PolarHBondContact O-N 3.31Å; F338-L350 HydrophobicContact CD1-CD1 3.91Å; F338-L350 HydrophobicContact CE1-CD1 4.09Å
339	K	83.1	Confident	79	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-50.2	179.8	-164.5	-175.5	-176.4	-169.1	0	111.3	L335 A336 Q337 M341 A343 H347 D348 L350 Y375 C378 V379	L335-K339 WeakPolarHBondContact O-CB 3.03Å; L335-K339 PolarHBondContact O-N 3.07Å; A336-K339 PolarHBondContact O-N 3.45Å; Q337-K339 PolarHBondContact O-N 3.2Å; K339-M341 PolarHBondContact O-N 3.22Å; K339-A343 HydrophobicContact CG-CB 4.46Å; K339-A343 VanDerWaalsContact O-CB 3.24Å; K339-A343 WeakPolarHBondContact O-CB 3.23Å; K339-A343 PolarHBondContact O-N 2.98Å; K339-H347 VanDerWaalsContact CE-CD2 3.43Å; K339-H347 WeakPolarHBondContact CE-CD2 3.44Å; K339-H347 WeakPolarHBondContact CE-NE2 3.29Å; K339-H347 WeakPolarHBondContact CG-NE2 3.3Å; K339-D348 PolarHBondContact NZ-O 3.08Å; K339-L350 HydrophobicContact CB-CD1 4.17Å; K339-L350 HydrophobicContact CD-CB 3.93Å; K339-L350 HydrophobicContact CG-CB 4.18Å; K339-L350 HydrophobicContact CG-CD1 4.15Å; K339-Y375 VanDerWaalsContact CD-O 3.28Å; K339-Y375 WeakPolarHBondContact CD-O 3.29Å; K339-Y375 VanDerWaalsContact CE-O 3.24Å; K339-Y375 WeakPolarHBondContact CE-O 3.45Å; K339-Y375 HydrophobicContact CG-CE2 4.43Å; K339-Y375 PolarHBondContact NZ-O 2.75Å; K339-Y375 PolarHBondContact O-OH 2.96Å; K339-C378 PolarHBondContact NZ-O 3.22Å; K339-V379 HydrophobicContact CB-CG1 4.46Å; K339-V379 HydrophobicContact CD-CG1 3.96Å
340	R	71.3	Confident	79.9	Confident	28 Å²	28	28.5 Å²	28.5	11%	0.106	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-40.8	-179.9	-63.6	161	-164.6	-164.4	-3.8	113.2	A336 Q337 F338 S376 R700	A336-R340 WeakPolarHBondContact O-CD 3.03Å; A336-R340 VanDerWaalsContact O-CG 3.22Å; A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 3.01Å; A336-R340 VanDerWaalsContact O-N 3.15Å; A336-R340 PolarHBondContact O-NE 2.93Å; Q337-R340 PolarHBondContact O-N 3.02Å; F338-R340 PolarHBondContact O-N 3.05Å; R340-S376 PolarHBondContact NE-O 2.82Å; R340-S376 VanDerWaalsContact NE-O 3.16Å; R340-S376 PolarHBondContact NH2-O 3.06Å; R340-R700 HydrophobicContact CB-CG 4.3Å; R340-R700 VanDerWaalsContact CB-O 3.25Å; R340-R700 WeakPolarHBondContact CB-O 2.98Å; R340-R700 WeakPolarHBondContact O-CD 3.43Å; R340-R700 PolarHBondContact O-NH1 3.03Å
341	M	67.3	Low	80.5	Confident	41 Å²	41	23.9 Å²	23.9	20%	0.202	12%	0.123	C	C	.	.	H	α-helix	trans	-81	-44.1	-172.5	-70.2	-100.4	-74.8	0	0	113.8	Q337 F338 K339 W701	Q337-M341 HydrophobicContact CG-CG 4.32Å; Q337-M341 WeakPolarHBondContact O-CB 3.05Å; Q337-M341 WeakPolarHBondContact O-CG 2.95Å; Q337-M341 PolarHBondContact O-N 2.87Å; Q337-M341 VanDerWaalsContact O-N 3.11Å; F338-M341 PolarHBondContact O-N 3.13Å; K339-M341 PolarHBondContact O-N 3.22Å; M341-W701 HydrophobicContact CE-CE3 4.05Å; M341-W701 HydrophobicContact CG-CB 4.39Å; M341-W701 HydrophobicContact SD-CB 3.79Å; M341-W701 HydrophobicContact SD-CD2 4.34Å; M341-W701 HydrophobicContact SD-CE3 3.68Å; M341-W701 HydrophobicContact SD-CG 4.45Å
342	H	72.9	Confident	80.8	Confident	68 Å²	68	23.9 Å²	23.9	32%	0.315	12%	0.123	S	C	.	.	H	α-helix	trans	-121	-17.6	-160.4	-60.9	125.7	0	0	0	114.8	F338 N344	F338-H342 HydrophobicContact CD2-CB 3.95Å; F338-H342 AromaticContact CD2-CG 3.98Å; F338-H342 AromaticContact CD2-ND1 3.3Å; F338-H342 VanDerWaalsContact CD2-ND1 3.3Å; F338-H342 WeakPolarHBondContact CD2-ND1 2.95Å; F338-H342 HydrophobicContact CE1-CB 4.46Å; F338-H342 HydrophobicContact CE2-CB 3.54Å; F338-H342 AromaticContact CE2-CG 3.85Å; F338-H342 AromaticContact CE2-ND1 3.59Å; F338-H342 HydrophobicContact CZ-CB 3.82Å; F338-H342 WeakPolarHBondContact O-CB 3.27Å; F338-H342 PolarHBondContact O-N 3.31Å; H342-N344 PolarHBondContact O-N 3.1Å
343	A	72.4	Confident	81	Confident	4 Å²	4	23.5 Å²	23.5	3%	0.033	12%	0.121	C	C	.	.			trans	-75.1	109.8	-179.2	0	0	0	0	0	110.9	F269 K339 H347 W761	F269-A343 HydrophobicContact CD2-CB 3.97Å; F269-A343 HydrophobicContact CE2-CB 3.63Å; F269-A343 HydrophobicContact CZ-CB 4.42Å; K339-A343 HydrophobicContact CG-CB 4.46Å; K339-A343 VanDerWaalsContact O-CB 3.24Å; K339-A343 WeakPolarHBondContact O-CB 3.23Å; K339-A343 PolarHBondContact O-N 2.98Å; A343-H347 VanDerWaalsContact CB-CE1 3.43Å; A343-H347 WeakPolarHBondContact CB-CE1 3.46Å; A343-W761 PolarHBondContact O-NE1 2.86Å
344	N	66.3	Low	81.3	Confident	98 Å²	98	19.7 Å²	19.7	52%	0.524	10%	0.097	S	C	.	.			trans	-101.1	5.2	-176.9	73.5	-42	0	0	0	114.2	R313 H342	R313-N344 PolarHBondContact NH2-OD1 3.39Å; H342-N344 PolarHBondContact O-N 3.1Å
345	V	63.9	Low	81.3	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	9%	0.093	C	C	.	.	S	Bend	trans	-111.8	147	179.2	-167.3	0	0	0	0	108.5	R313 H347 T462	R313-V345 HydrophobicContact CB-CB 4.37Å; R313-V345 HydrophobicContact CB-CG1 4.47Å; R313-V345 HydrophobicContact CB-CG2 4.19Å; R313-V345 HydrophobicContact CG-CG2 4.05Å; V345-H347 PolarHBondContact O-CE1 3.24Å; V345-H347 PolarHBondContact O-ND1 2.76Å; V345-T462 HydrophobicContact CG1-CG2 3.63Å; V345-T462 WeakPolarHBondContact CG1-O 3.49Å
346	R	70.2	Confident	80.7	Confident	47 Å²	47	21.6 Å²	21.6	18%	0.177	11%	0.108	C	C	.	.			trans	-65.9	138.1	168.3	-168.1	-160.7	136.3	158.7	-4.9	109.1	E267 V312 D456 T462 N790	E267-R346 IonicContact OE1-NE 2.74Å; E267-R346 WeakPolarHBondContact OE2-CD 3.16Å; E267-R346 WeakPolarHBondContact OE2-CG 3.31Å; E267-R346 IonicContact OE2-CZ 4Å; E267-R346 IonicContact OE2-NE 3.23Å; E267-R346 PolarHBondContact OE2-NE 3.48Å; E267-R346 IonicContact OE2-NH2 3.17Å; V312-R346 WeakPolarHBondContact CG2-O 3.36Å; R346-D456 IonicContact CZ-OD1 2.67Å; R346-D456 IonicContact CZ-OD2 2.72Å; R346-D456 VanDerWaalsContact CZ-OD2 3.24Å; R346-D456 IonicContact NH1-OD1 3.73Å; R346-D456 PolarHBondContact NH1-OD1 3.41Å; R346-D456 IonicContact NH1-OD2 3.83Å; R346-D456 PolarHBondContact NH1-OD2 3.15Å; R346-D456 IonicContact NH2-OD1 2.77Å; R346-D456 PolarHBondContact NH2-OD1 2.83Å; R346-D456 IonicContact NH2-OD2 3.9Å; R346-D456 PolarHBondContact NH2-OD2 2.86Å; R346-T462 HydrophobicContact CB-CG2 4.2Å; R346-N790 PolarHBondContact NH2-ND2 2.72Å
347	H	78	Confident	80.1	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.019	13%	0.13	C	C	.	.			trans	-168.7	150.9	176.5	58.1	-66.1	0	0	0	109.6	E267 F269 V312 K339 A343 V345 C349 Y375	E267-H347 HydrophobicContact CB-CB 4.38Å; F269-H347 HydrophobicContact CB-CB 4Å; F269-H347 WeakPolarHBondContact CB-CD2 3.02Å; F269-H347 AromaticContact CD2-CE1 3.83Å; F269-H347 AromaticContact CD2-ND1 3.83Å; V312-H347 HydrophobicContact CG2-CB 3.83Å; K339-H347 VanDerWaalsContact CE-CD2 3.43Å; K339-H347 WeakPolarHBondContact CE-CD2 3.44Å; K339-H347 WeakPolarHBondContact CE-NE2 3.29Å; K339-H347 WeakPolarHBondContact CG-NE2 3.3Å; A343-H347 VanDerWaalsContact CB-CE1 3.43Å; A343-H347 WeakPolarHBondContact CB-CE1 3.46Å; V345-H347 PolarHBondContact O-CE1 3.24Å; V345-H347 PolarHBondContact O-ND1 2.76Å; H347-C349 PolarHBondContact CD2-O 2.73Å; H347-Y375 AromaticContact CE1-CE2 3.74Å
348	D	81.6	Confident	79.2	Confident	7 Å²	7	32.8 Å²	32.8	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-80.5	-53.7	179.2	-52.6	-48.7	0	0	0	110	E267 K339 M372 C453 L454	E267-D348 WeakPolarHBondContact CB-OD2 3.45Å; E267-D348 PolarHBondContact N-OD2 3.31Å; E267-D348 PolarHBondContact O-N 2.73Å; K339-D348 PolarHBondContact NZ-O 3.08Å; D348-M372 HydrophobicContact CB-SD 4.47Å; D348-C453 VanDerWaalsContact CG-SG 3.58Å; D348-C453 PolarHBondContact OD1-SG 3.35Å; D348-L454 HydrophobicContact CB-CD2 3.9Å; D348-L454 WeakPolarHBondContact OD2-CD2 3.25Å
349	C	89	Confident	77.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.3	-175.7	-142	0	0	0	0	112.3	E267 L268 F269 H347 M372 C378	E267-C349 PolarHBondContact O-N 3.09Å; L268-C349 HydrophobicContact CD1-CB 4.2Å; F269-C349 PolarHBondContact N-O 3.38Å; H347-C349 PolarHBondContact CD2-O 2.73Å; C349-M372 HydrophobicContact CB-CE 4.38Å; C349-M372 HydrophobicContact CB-SD 4.03Å; C349-C378 HydrophobicContact CB-CB 3.95Å; C349-C378 WeakPolarHBondContact CB-SG 3.26Å; C349-C378 WeakPolarHBondContact SG-CB 3.41Å; C349-C378 PolarHBondContact SG-O 3.01Å; C349-C378 CovalentContact SG-SG 2.04Å; C349-C378 PolarHBondContact SG-SG 3.32Å
350	L	92.4	Very high	76.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.5	173.6	173	150.4	0	0	0	109.9	F269 V271 L335 F338 K339 C378 V379 G380	F269-L350 HydrophobicContact CB-CB 4.23Å; F269-L350 HydrophobicContact CB-CD1 4.37Å; F269-L350 HydrophobicContact CB-CG 4.41Å; F269-L350 HydrophobicContact CD1-CD1 3.96Å; F269-L350 HydrophobicContact CD1-CG 4.49Å; F269-L350 HydrophobicContact CE1-CD1 4.46Å; F269-L350 HydrophobicContact CG-CD1 4.13Å; F269-L350 CarbonylContact O-C 3.25Å; F269-L350 WeakPolarHBondContact O-CA 3.39Å; V271-L350 HydrophobicContact CG2-CD1 4.15Å; V271-L350 HydrophobicContact CG2-CD2 3.79Å; V271-L350 HydrophobicContact CG2-CG 3.92Å; L335-L350 HydrophobicContact CB-CD2 4.27Å; L335-L350 HydrophobicContact CD2-CD2 4.28Å; F338-L350 HydrophobicContact CD1-CD1 3.91Å; F338-L350 HydrophobicContact CE1-CD1 4.09Å; K339-L350 HydrophobicContact CB-CD1 4.17Å; K339-L350 HydrophobicContact CD-CB 3.93Å; K339-L350 HydrophobicContact CG-CB 4.18Å; K339-L350 HydrophobicContact CG-CD1 4.15Å; L350-C378 PolarHBondContact N-O 3.44Å; L350-C378 VanDerWaalsContact N-O 3.16Å; L350-V379 HydrophobicContact CB-CG1 4.26Å; L350-V379 HydrophobicContact CD2-CG1 4.03Å; L350-V379 CarbonylContact O-C 3.51Å; L350-V379 VanDerWaalsContact O-CA 3.23Å; L350-V379 WeakPolarHBondContact O-CA 3.37Å; L350-G380 PolarHBondContact O-N 3.2Å
351	H	95.9	Very high	76	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.5	179.9	-157.9	75.4	0	0	0	111.9	L268 F269 M270 V271 G380 Y381 S382	L268-H351 HydrophobicContact CD1-CB 4.09Å; L268-H351 HydrophobicContact CD2-CB 4.37Å; F269-H351 PolarHBondContact O-N 2.82Å; M270-H351 WeakPolarHBondContact CA-O 3.2Å; V271-H351 PolarHBondContact N-O 2.96Å; H351-G380 WeakPolarHBondContact CA-O 3.2Å; H351-G380 VanDerWaalsContact ND1-C 3.27Å; H351-G380 WeakPolarHBondContact ND1-CA 3.43Å; H351-Y381 PolarHBondContact CE1-N 3.41Å; H351-S382 PolarHBondContact NE2-N 3.29Å; H351-S382 PolarHBondContact NE2-OG 2.89Å
352	A	95.4	Very high	76	Confident	2 Å²	2	54 Å²	54	2%	0.017	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.9	178.9	0	0	0	0	0	111.9	V271 L335 L354 G380 Y381 S382	V271-A352 HydrophobicContact CG2-CB 4.06Å; V271-A352 CarbonylContact O-C 3.43Å; V271-A352 WeakPolarHBondContact O-CA 3.19Å; L335-A352 HydrophobicContact CD1-CB 3.74Å; L335-A352 HydrophobicContact CD2-CB 3.82Å; L335-A352 HydrophobicContact CG-CB 4.46Å; A352-L354 HydrophobicContact CB-CD2 3.98Å; A352-L354 HydrophobicContact CB-CG 4.46Å; A352-G380 PolarHBondContact N-O 2.74Å; A352-Y381 CarbonylContact O-C 3.56Å; A352-Y381 WeakPolarHBondContact O-CA 3.31Å; A352-S382 PolarHBondContact O-N 3.23Å
353	L	93.7	Very high	76.2	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	167.7	-173.8	63.7	0	0	0	108.7	M270 V271 V272 D273 M276 I291 I294 S382 V384 T393 I397	M270-L353 HydrophobicContact CE-CB 3.85Å; M270-L353 HydrophobicContact CE-CD2 4.01Å; M270-L353 HydrophobicContact CE-CG 4.43Å; V271-L353 PolarHBondContact O-N 2.81Å; V272-L353 WeakPolarHBondContact CA-O 3.27Å; D273-L353 PolarHBondContact N-O 2.81Å; M276-L353 HydrophobicContact CE-CD2 4.22Å; I291-L353 HydrophobicContact CG1-CD2 3.97Å; I294-L353 HydrophobicContact CD1-CD2 4.13Å; L353-S382 WeakPolarHBondContact CA-O 3.44Å; L353-V384 HydrophobicContact CD1-CG1 3.75Å; L353-V384 HydrophobicContact CD2-CG1 4.36Å; L353-V384 HydrophobicContact CG-CG1 4.07Å; L353-T393 HydrophobicContact CD1-CG2 3.76Å; L353-I397 HydrophobicContact CD1-CD1 4.5Å
354	L	91.7	Very high	76.8	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.5	-174.5	-55.4	-175.2	0	0	0	110.9	D273 L324 L331 A352 Y381 S382 R383 V384	D273-L354 HydrophobicContact CB-CD2 3.81Å; D273-L354 WeakPolarHBondContact OD1-CA 3.38Å; L324-L354 HydrophobicContact CD1-CD2 3.82Å; L331-L354 HydrophobicContact CD1-CD1 4.19Å; L331-L354 HydrophobicContact CD2-CD1 4.39Å; A352-L354 HydrophobicContact CB-CD2 3.98Å; A352-L354 HydrophobicContact CB-CG 4.46Å; L354-Y381 HydrophobicContact CD1-CD2 3.6Å; L354-Y381 HydrophobicContact CD1-CE2 4.28Å; L354-Y381 HydrophobicContact CD1-CG 3.95Å; L354-Y381 HydrophobicContact CG-CD2 4.41Å; L354-S382 PolarHBondContact N-O 3.32Å; L354-R383 HydrophobicContact CB-CG 3.88Å; L354-R383 VanDerWaalsContact O-CA 3.31Å; L354-R383 WeakPolarHBondContact O-CA 3.3Å; L354-V384 PolarHBondContact O-N 3.38Å
355	G	87.6	Confident	77.9	Confident	3 Å²	3	49.6 Å²	49.6	3%	0.031	25%	0.252	C	S	.	.			trans	-68.6	-177.8	175.1	0	0	0	0	0	114	D273	D273-G355 PolarHBondContact OD1-N 2.8Å
356	T	77.5	Confident	79.2	Confident	51 Å²	51	53.3 Å²	53.3	31%	0.313	27%	0.268	S	S	.	.			trans	-71.8	154.7	176.6	60.1	0	0	0	0	111.7	E279 V384 F388	E279-T356 PolarHBondContact OE1-N 2.89Å; E279-T356 PolarHBondContact OE1-OG1 2.8Å; T356-V384 HydrophobicContact CG2-CG2 3.9Å; T356-F388 HydrophobicContact CG2-CE2 4.32Å; T356-F388 HydrophobicContact CG2-CZ 3.86Å
357	K	69.1	Low	80.3	Confident	114 Å²	114	51.6 Å²	51.6	50%	0.496	26%	0.264	S	S	.	.			trans	-118.5	126.1	176	-167.9	178.4	-176.6	-179.1	0	109.4	Q359	K357-Q359 CarbonylContact O-C 3.34Å; K357-Q359 PolarHBondContact O-N 3.27Å
358	E	59.5	Low	80.9	Confident	209 Å²	209	53.7 Å²	53.7	98%	0.977	28%	0.275	S	S	*	.	S	Bend	trans	-53.7	-38.2	-175	-59.9	-179.8	150.4	0	0	113.1
359	Q	54.6	Low	81.1	Confident	161 Å²	161	56.9 Å²	56.9	75%	0.752	29%	0.29	S	S	*	.	S	Bend	trans	-92.4	107.7	168.8	-66.9	175.3	-5.6	0	0	108.7	K357 S361	K357-Q359 CarbonylContact O-C 3.34Å; K357-Q359 PolarHBondContact O-N 3.27Å; Q359-S361 PolarHBondContact O-N 2.03Å
360	G	54.4	Low	80.8	Confident	77 Å²	77	59.9 Å²	59.9	79%	0.794	31%	0.305	S	S	*	.			trans	-59.6	101.7	-171.2	0	0	0	0	0	113.4
361	S	62.2	Low	80.4	Confident	35 Å²	35	60.4 Å²	60.4	25%	0.245	31%	0.308	C	S	.	.			trans	-68.5	140.7	173.6	-176.5	0	0	0	0	111.2	E328 Q359 T363	E328-S361 WeakPolarHBondContact OE1-CB 3.35Å; E328-S361 PolarHBondContact OE1-OG 3.42Å; E328-S361 PolarHBondContact OE2-OG 3.49Å; E328-S361 VanDerWaalsContact OE2-OG 3.11Å; Q359-S361 PolarHBondContact O-N 2.03Å; S361-T363 PolarHBondContact O-N 3.1Å; S361-T363 PolarHBondContact OG-N 3.29Å; S361-T363 VanDerWaalsContact OG-N 3.09Å
362	R	67.6	Low	79.8	Confident	242 Å²	242	60.6 Å²	60.6	91%	0.913	31%	0.309	S	S	*	.	S	Bend	trans	-67.8	-22.5	169.9	-67.2	-179	175.4	173.3	-1.6	112.2
363	T	77	Confident	78.8	Confident	46 Å²	46	61.2 Å²	61.2	28%	0.282	31%	0.313	S	S	.	.			trans	-94	114.5	-177.1	-45.8	0	0	0	0	110.4	E328 S361 G365 R383	E328-T363 WeakPolarHBondContact OE2-CB 3.27Å; E328-T363 PolarHBondContact OE2-OG1 2.96Å; S361-T363 PolarHBondContact O-N 3.1Å; S361-T363 PolarHBondContact OG-N 3.29Å; S361-T363 VanDerWaalsContact OG-N 3.09Å; T363-G365 WeakPolarHBondContact CG2-O 3.34Å; T363-R383 PolarHBondContact O-NH1 2.9Å
364	R	84.7	Confident	77.9	Confident	22 Å²	22	62 Å²	62	8%	0.083	32%	0.317	C	S	.	.			trans	-88.9	-28.2	176	-63.5	-56.2	-154.4	70.7	22.5	113.6	S382 R383 E392 T396 V425	R364-S382 CarbonylContact O-C 3.28Å; R364-R383 PolarHBondContact O-N 3.3Å; R364-E392 IonicContact CZ-OE1 3.57Å; R364-E392 IonicContact NH1-OE1 3.49Å; R364-E392 PolarHBondContact NH1-OE1 3.35Å; R364-E392 IonicContact NH2-OE1 2.79Å; R364-E392 PolarHBondContact NH2-OE1 2.88Å; R364-T396 HydrophobicContact CB-CG2 4.13Å; R364-V425 HydrophobicContact CB-CG2 4.16Å; R364-V425 HydrophobicContact CG-CB 4.45Å; R364-V425 HydrophobicContact CG-CG1 4.3Å; R364-V425 HydrophobicContact CG-CG2 3.87Å
365	G	89.5	Confident	77	Confident	10 Å²	10	62.2 Å²	62.2	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	168.6	174	0	0	0	0	0	111.6	T363 Y381 E400	T363-G365 WeakPolarHBondContact CG2-O 3.34Å; G365-Y381 CarbonylContact C-O 3.48Å; G365-Y381 WeakPolarHBondContact CA-O 3.37Å; G365-E400 VanDerWaalsContact C-CD 3.41Å; G365-E400 VanDerWaalsContact CA-OE1 3.22Å; G365-E400 WeakPolarHBondContact CA-OE1 3.06Å
366	K	92	Very high	76.2	Confident	79 Å²	79	62.2 Å²	62.2	34%	0.343	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.2	164.8	-149.8	178.4	179.9	178.1	0	109.9	L332 G380 Y381 E400	L332-K366 HydrophobicContact CD1-CB 4.12Å; L332-K366 HydrophobicContact CD1-CD 3.87Å; L332-K366 HydrophobicContact CD1-CG 3.88Å; L332-K366 WeakPolarHBondContact CD2-O 3.01Å; K366-G380 CarbonylContact O-C 3.54Å; K366-G380 VanDerWaalsContact O-CA 3.26Å; K366-G380 WeakPolarHBondContact O-CA 2.96Å; K366-Y381 HydrophobicContact CB-CD1 4.23Å; K366-Y381 HydrophobicContact CB-CE1 3.57Å; K366-Y381 PolarHBondContact N-O 3.02Å; K366-Y381 PolarHBondContact O-N 3.15Å; K366-E400 VanDerWaalsContact CA-CD 3.46Å; K366-E400 WeakPolarHBondContact CA-OE2 3.26Å; K366-E400 VanDerWaalsContact N-CD 3.25Å; K366-E400 PolarHBondContact N-OE1 3.17Å; K366-E400 PolarHBondContact N-OE2 3.15Å
367	A	93.1	Very high	76.2	Confident	11 Å²	11	63.7 Å²	63.7	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.8	170.4	0	0	0	0	0	111.8	H369 E400 H403	A367-H369 PolarHBondContact O-N 3.29Å; A367-E400 HydrophobicContact CB-CB 3.85Å; A367-E400 WeakPolarHBondContact CB-O 3.4Å; A367-E400 PolarHBondContact N-OE2 2.78Å; A367-H403 HydrophobicContact CB-CB 4.08Å
368	N	89.2	Confident	77.1	Confident	48 Å²	48	58.3 Å²	58.3	26%	0.257	29%	0.293	S	S	.	.			trans	-74.9	108.8	170.4	-75	-33.5	0	0	0	109.8	M370 T371 R377 V379 N404	N368-M370 PolarHBondContact O-N 3.21Å; N368-T371 HydrophobicContact CB-CG2 3.65Å; N368-T371 PolarHBondContact O-OG1 3.37Å; N368-R377 WeakPolarHBondContact CB-O 3.41Å; N368-R377 PolarHBondContact ND2-O 2.73Å; N368-V379 PolarHBondContact N-O 3.1Å; N368-V379 VanDerWaalsContact N-O 3.13Å; N368-V379 VanDerWaalsContact ND2-CG2 3.3Å; N368-V379 WeakPolarHBondContact ND2-CG2 3.27Å; N368-N404 PolarHBondContact O-ND2 3.46Å
369	H	87.6	Confident	78.7	Confident	75 Å²	75	48.3 Å²	48.3	35%	0.347	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	133	179.4	172	-83	0	0	0	112.2	A367 H403 G406 L407	A367-H369 PolarHBondContact O-N 3.29Å; H369-H403 CarbonylContact C-O 3.54Å; H369-H403 VanDerWaalsContact CA-O 3.22Å; H369-H403 WeakPolarHBondContact CA-O 3.25Å; H369-G406 PolarHBondContact NE2-O 3.22Å; H369-L407 PolarHBondContact CD2-O 3.35Å
370	M	81.5	Confident	80.6	Confident	63 Å²	63	40.7 Å²	40.7	31%	0.31	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	49	172.2	-163.8	176.1	-155.3	0	0	112.8	N368 H403 N404 L445 M450 L735	N368-M370 PolarHBondContact O-N 3.21Å; M370-H403 PolarHBondContact N-O 3.36Å; M370-N404 CarbonylContact C-O 3.47Å; M370-N404 WeakPolarHBondContact CA-O 3.3Å; M370-L445 HydrophobicContact CE-CD2 4.31Å; M370-M450 HydrophobicContact CB-CE 4.36Å; M370-M450 HydrophobicContact CG-CE 3.48Å; M370-M450 VanDerWaalsContact CG-CE 3.48Å; M370-L735 HydrophobicContact CE-CB 4.5Å; M370-L735 HydrophobicContact CE-CD1 3.51Å; M370-L735 HydrophobicContact CE-CD2 3.7Å; M370-L735 HydrophobicContact CE-CG 4.05Å
371	T	84	Confident	82.5	Confident	11 Å²	11	37 Å²	37	7%	0.067	17%	0.173	C	C	.	.			trans	-127.1	7.1	-176.3	61.7	0	0	0	0	116.1	N368 C373 I374 R377 C378 N404	N368-T371 HydrophobicContact CB-CG2 3.65Å; N368-T371 PolarHBondContact O-OG1 3.37Å; T371-C373 PolarHBondContact O-N 2.89Å; T371-I374 HydrophobicContact CG2-CD1 4.16Å; T371-I374 VanDerWaalsContact O-CB 3.24Å; T371-I374 WeakPolarHBondContact O-CB 3.32Å; T371-I374 WeakPolarHBondContact O-CG1 3.35Å; T371-I374 PolarHBondContact O-N 3.02Å; T371-R377 HydrophobicContact CG2-CB 3.96Å; T371-C378 WeakPolarHBondContact O-CB 3.42Å; T371-C378 PolarHBondContact O-SG 3.22Å; T371-N404 PolarHBondContact N-O 3.31Å; T371-N404 PolarHBondContact OG1-ND2 3.1Å; T371-N404 VanDerWaalsContact OG1-ND2 3.14Å
372	M	83.3	Confident	84	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.02	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	141.8	172.6	-161.1	56	79.2	0	0	110.8	V266 D348 C349 I374 L401 N404 F405 M450 L454	V266-M372 HydrophobicContact CG1-CE 4.34Å; V266-M372 HydrophobicContact CG1-SD 4.34Å; D348-M372 HydrophobicContact CB-SD 4.47Å; C349-M372 HydrophobicContact CB-CE 4.38Å; C349-M372 HydrophobicContact CB-SD 4.03Å; M372-I374 PolarHBondContact O-N 2.74Å; M372-L401 HydrophobicContact CE-CD2 4.48Å; M372-N404 HydrophobicContact CE-CB 3.94Å; M372-N404 PolarHBondContact N-O 3.09Å; M372-F405 HydrophobicContact CB-CD1 4.34Å; M372-F405 HydrophobicContact CE-CD1 4.46Å; M372-F405 HydrophobicContact CE-CD2 4.07Å; M372-F405 HydrophobicContact CE-CE1 4.3Å; M372-F405 HydrophobicContact CE-CE2 3.84Å; M372-F405 HydrophobicContact CE-CG 4.35Å; M372-F405 HydrophobicContact CE-CZ 3.96Å; M372-F405 HydrophobicContact CG-CD1 4.16Å; M372-F405 HydrophobicContact CG-CE1 4.09Å; M372-M450 HydrophobicContact CB-CG 4.05Å; M372-M450 HydrophobicContact CB-SD 3.77Å; M372-L454 HydrophobicContact CG-CD1 3.63Å; M372-L454 HydrophobicContact CG-CD2 3.83Å; M372-L454 HydrophobicContact CG-CG 4.1Å; M372-L454 HydrophobicContact SD-CD1 4.49Å; M372-L454 HydrophobicContact SD-CD2 3.86Å
373	C	73.8	Confident	85	Confident	16 Å²	16	24.9 Å²	24.9	11%	0.108	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-7.4	-167.9	-51.6	0	0	0	0	117.4	T371 Y375 M450 V452 C453 V760	T371-C373 PolarHBondContact O-N 2.89Å; C373-Y375 PolarHBondContact O-N 3.03Å; C373-M450 PolarHBondContact SG-O 3.14Å; C373-M450 VanDerWaalsContact SG-O 3.39Å; C373-V452 HydrophobicContact CB-CG1 4.07Å; C373-C453 WeakPolarHBondContact CA-SG 3.39Å; C373-C453 HydrophobicContact CB-CB 3.76Å; C373-C453 WeakPolarHBondContact CB-SG 3.32Å; C373-C453 WeakPolarHBondContact SG-CB 3.46Å; C373-C453 PolarHBondContact SG-N 2.89Å; C373-C453 CovalentContact SG-SG 2.03Å; C373-C453 PolarHBondContact SG-SG 3.27Å; C373-V760 WeakPolarHBondContact O-CG2 3.45Å
374	I	75	Confident	85.3	Confident	17 Å²	17	22.8 Å²	22.8	9%	0.087	11%	0.109	C	C	.	.			trans	-82.7	95.7	177.3	-52.2	-175.6	0	0	0	109.4	T371 M372 S376 R377 C378 D758	T371-I374 HydrophobicContact CG2-CD1 4.16Å; T371-I374 VanDerWaalsContact O-CB 3.24Å; T371-I374 WeakPolarHBondContact O-CB 3.32Å; T371-I374 WeakPolarHBondContact O-CG1 3.35Å; T371-I374 PolarHBondContact O-N 3.02Å; M372-I374 PolarHBondContact O-N 2.74Å; I374-S376 PolarHBondContact O-N 2.8Å; I374-R377 HydrophobicContact CB-CB 4.29Å; I374-R377 HydrophobicContact CG2-CB 3.73Å; I374-R377 HydrophobicContact CG2-CG 3.91Å; I374-R377 PolarHBondContact O-N 3.44Å; I374-C378 WeakPolarHBondContact O-CB 2.96Å; I374-C378 PolarHBondContact O-N 3.39Å; I374-D758 HydrophobicContact CG2-CB 3.69Å; I374-D758 WeakPolarHBondContact CG2-OD2 3.37Å
375	Y	73.4	Confident	84.9	Confident	12 Å²	12	21.8 Å²	21.8	5%	0.047	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-52.6	-169.1	177.1	-102.1	0	0	0	114.2	K339 H347 C373 R377 W761	K339-Y375 VanDerWaalsContact CD-O 3.28Å; K339-Y375 WeakPolarHBondContact CD-O 3.29Å; K339-Y375 VanDerWaalsContact CE-O 3.24Å; K339-Y375 WeakPolarHBondContact CE-O 3.45Å; K339-Y375 HydrophobicContact CG-CE2 4.43Å; K339-Y375 PolarHBondContact NZ-O 2.75Å; K339-Y375 PolarHBondContact O-OH 2.96Å; H347-Y375 AromaticContact CE1-CE2 3.74Å; C373-Y375 PolarHBondContact O-N 3.03Å; Y375-R377 PolarHBondContact O-N 3.48Å; Y375-W761 HydrophobicContact CD1-CB 3.74Å; Y375-W761 HydrophobicContact CD1-CG 4.46Å; Y375-W761 HydrophobicContact CD2-CB 3.71Å; Y375-W761 HydrophobicContact CD2-CG 4.47Å; Y375-W761 HydrophobicContact CE1-CB 3.66Å; Y375-W761 AromaticContact CE1-CG 3.88Å; Y375-W761 HydrophobicContact CE1-CG 3.88Å; Y375-W761 HydrophobicContact CE2-CB 3.62Å; Y375-W761 AromaticContact CE2-CD1 3.51Å; Y375-W761 AromaticContact CE2-CG 3.89Å; Y375-W761 HydrophobicContact CE2-CG 3.89Å; Y375-W761 HydrophobicContact CG-CB 3.78Å; Y375-W761 AromaticContact CZ-CD1 3.27Å; Y375-W761 AromaticContact CZ-CG 3.57Å; Y375-W761 PolarHBondContact OH-NE1 3.42Å
376	S	70.2	Confident	83.9	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.021	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.7	-175.5	85.4	0	0	0	0	114.4	R340 I374 D758	R340-S376 PolarHBondContact NE-O 2.82Å; R340-S376 VanDerWaalsContact NE-O 3.16Å; R340-S376 PolarHBondContact NH2-O 3.06Å; I374-S376 PolarHBondContact O-N 2.8Å; S376-D758 VanDerWaalsContact CA-OD2 3.31Å; S376-D758 WeakPolarHBondContact CA-OD2 3.46Å; S376-D758 WeakPolarHBondContact CB-OD2 3.35Å; S376-D758 PolarHBondContact N-OD2 2.73Å; S376-D758 VanDerWaalsContact OG-CG 3.29Å; S376-D758 PolarHBondContact OG-OD1 2.77Å; S376-D758 PolarHBondContact OG-OD2 3.42Å
377	R	79	Confident	82.9	Confident	83 Å²	83	26.9 Å²	26.9	31%	0.313	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-21.1	-173.8	-56.8	-172.5	172.3	-156	-11	116	N368 T371 I374 Y375 V379	N368-R377 WeakPolarHBondContact CB-O 3.41Å; N368-R377 PolarHBondContact ND2-O 2.73Å; T371-R377 HydrophobicContact CG2-CB 3.96Å; I374-R377 HydrophobicContact CB-CB 4.29Å; I374-R377 HydrophobicContact CG2-CB 3.73Å; I374-R377 HydrophobicContact CG2-CG 3.91Å; I374-R377 PolarHBondContact O-N 3.44Å; Y375-R377 PolarHBondContact O-N 3.48Å; R377-V379 VanDerWaalsContact C-N 3.29Å; R377-V379 PolarHBondContact O-N 3.31Å
378	C	88.4	Confident	81.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.			trans	-69.7	89.9	175.7	-155.3	0	0	0	0	110	K339 C349 L350 T371 I374	K339-C378 PolarHBondContact NZ-O 3.22Å; C349-C378 HydrophobicContact CB-CB 3.95Å; C349-C378 WeakPolarHBondContact CB-SG 3.26Å; C349-C378 WeakPolarHBondContact SG-CB 3.41Å; C349-C378 PolarHBondContact SG-O 3.01Å; C349-C378 CovalentContact SG-SG 2.04Å; C349-C378 PolarHBondContact SG-SG 3.32Å; L350-C378 PolarHBondContact N-O 3.44Å; L350-C378 VanDerWaalsContact N-O 3.16Å; T371-C378 WeakPolarHBondContact O-CB 3.42Å; T371-C378 PolarHBondContact O-SG 3.22Å; I374-C378 WeakPolarHBondContact O-CB 2.96Å; I374-C378 PolarHBondContact O-N 3.39Å
379	V	92.3	Very high	81.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.6	172.4	-65.8	0	0	0	0	110.5	L332 L335 A336 K339 L350 N368 R377 N404	L332-V379 HydrophobicContact CB-CG2 4.41Å; L332-V379 HydrophobicContact CD2-CG2 4.12Å; L335-V379 HydrophobicContact CB-CB 4.27Å; L335-V379 HydrophobicContact CB-CG1 4.31Å; A336-V379 HydrophobicContact CB-CG1 4.39Å; A336-V379 HydrophobicContact CB-CG2 4.1Å; K339-V379 HydrophobicContact CB-CG1 4.46Å; K339-V379 HydrophobicContact CD-CG1 3.96Å; L350-V379 HydrophobicContact CB-CG1 4.26Å; L350-V379 HydrophobicContact CD2-CG1 4.03Å; L350-V379 CarbonylContact O-C 3.51Å; L350-V379 VanDerWaalsContact O-CA 3.23Å; L350-V379 WeakPolarHBondContact O-CA 3.37Å; N368-V379 PolarHBondContact N-O 3.1Å; N368-V379 VanDerWaalsContact N-O 3.13Å; N368-V379 VanDerWaalsContact ND2-CG2 3.3Å; N368-V379 WeakPolarHBondContact ND2-CG2 3.27Å; R377-V379 VanDerWaalsContact C-N 3.29Å; R377-V379 PolarHBondContact O-N 3.31Å; V379-N404 PolarHBondContact O-ND2 2.9Å; V379-N404 VanDerWaalsContact O-ND2 3.15Å
380	G	94.6	Very high	81.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.6	167.8	0	0	0	0	0	111.7	L350 H351 A352 K366	L350-G380 PolarHBondContact O-N 3.2Å; H351-G380 WeakPolarHBondContact CA-O 3.2Å; H351-G380 VanDerWaalsContact ND1-C 3.27Å; H351-G380 WeakPolarHBondContact ND1-CA 3.43Å; A352-G380 PolarHBondContact N-O 2.74Å; K366-G380 CarbonylContact O-C 3.54Å; K366-G380 VanDerWaalsContact O-CA 3.26Å; K366-G380 WeakPolarHBondContact O-CA 2.96Å
381	Y	94.4	Very high	81.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.6	166.6	74	-96.8	0	0	0	111.5	L331 L332 L335 H351 A352 L354 G365 K366	L331-Y381 HydrophobicContact CB-CD1 3.96Å; L331-Y381 HydrophobicContact CB-CE1 3.61Å; L331-Y381 HydrophobicContact CD1-CD1 4.23Å; L331-Y381 HydrophobicContact CD1-CD2 4.45Å; L331-Y381 HydrophobicContact CD1-CE1 3.71Å; L331-Y381 HydrophobicContact CD1-CE2 3.99Å; L331-Y381 HydrophobicContact CG-CE1 4.3Å; L332-Y381 HydrophobicContact CD2-CD1 4Å; L332-Y381 HydrophobicContact CD2-CE1 4.44Å; L332-Y381 HydrophobicContact CG-CD1 4.42Å; L332-Y381 HydrophobicContact CG-CE1 4.41Å; L335-Y381 HydrophobicContact CD1-CD1 4.4Å; H351-Y381 PolarHBondContact CE1-N 3.41Å; A352-Y381 CarbonylContact O-C 3.56Å; A352-Y381 WeakPolarHBondContact O-CA 3.31Å; L354-Y381 HydrophobicContact CD1-CD2 3.6Å; L354-Y381 HydrophobicContact CD1-CE2 4.28Å; L354-Y381 HydrophobicContact CD1-CG 3.95Å; L354-Y381 HydrophobicContact CG-CD2 4.41Å; G365-Y381 CarbonylContact C-O 3.48Å; G365-Y381 WeakPolarHBondContact CA-O 3.37Å; K366-Y381 HydrophobicContact CB-CD1 4.23Å; K366-Y381 HydrophobicContact CB-CE1 3.57Å; K366-Y381 PolarHBondContact N-O 3.02Å; K366-Y381 PolarHBondContact O-N 3.15Å
382	S	92.5	Very high	81.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.2	168.9	-54.2	0	0	0	0	109.5	H351 A352 L353 L354 R364	H351-S382 PolarHBondContact NE2-N 3.29Å; H351-S382 PolarHBondContact NE2-OG 2.89Å; A352-S382 PolarHBondContact O-N 3.23Å; L353-S382 WeakPolarHBondContact CA-O 3.44Å; L354-S382 PolarHBondContact N-O 3.32Å; R364-S382 CarbonylContact O-C 3.28Å
383	R	88.5	Confident	81.4	Confident	22 Å²	22	29.9 Å²	29.9	8%	0.083	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	141.7	168.3	-71.6	-178.8	-174	104.9	1.3	109.9	E328 L354 T363 R364	E328-R383 IonicContact OE1-CZ 3.61Å; E328-R383 IonicContact OE1-NH1 3.59Å; E328-R383 PolarHBondContact OE1-NH1 3.25Å; E328-R383 IonicContact OE1-NH2 3.57Å; E328-R383 PolarHBondContact OE1-NH2 3.19Å; L354-R383 HydrophobicContact CB-CG 3.88Å; L354-R383 VanDerWaalsContact O-CA 3.31Å; L354-R383 WeakPolarHBondContact O-CA 3.3Å; T363-R383 PolarHBondContact O-NH1 2.9Å; R364-R383 PolarHBondContact O-N 3.3Å
384	V	85	Confident	82.2	Confident	2 Å²	2	29.1 Å²	29.1	1%	0.012	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-59.8	152.3	167.9	-66.1	0	0	0	0	111.2	M276 L353 L354 T356 F388 T393	M276-V384 HydrophobicContact CE-CG1 3.69Å; M276-V384 HydrophobicContact SD-CB 4.49Å; M276-V384 HydrophobicContact SD-CG1 3.65Å; M276-V384 HydrophobicContact SD-CG2 4.14Å; L353-V384 HydrophobicContact CD1-CG1 3.75Å; L353-V384 HydrophobicContact CD2-CG1 4.36Å; L353-V384 HydrophobicContact CG-CG1 4.07Å; L354-V384 PolarHBondContact O-N 3.38Å; T356-V384 HydrophobicContact CG2-CG2 3.9Å; V384-F388 HydrophobicContact CB-CE1 4.49Å; V384-F388 HydrophobicContact CG2-CD1 4.45Å; V384-F388 HydrophobicContact CG2-CE1 3.84Å; V384-F388 HydrophobicContact CG2-CZ 4.45Å; V384-T393 HydrophobicContact CG1-CG2 4.28Å
385	S	74.8	Confident	82.9	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-64	140	172.6	-179.5	0	0	0	0	111.6	T387 F388 E392 T393	S385-T387 PolarHBondContact O-N 2.97Å; S385-T387 VanDerWaalsContact O-N 3.16Å; S385-T387 PolarHBondContact OG-N 3.35Å; S385-T387 PolarHBondContact OG-OG1 3.29Å; S385-F388 WeakPolarHBondContact O-CA 2.98Å; S385-F388 PolarHBondContact O-N 3.32Å; S385-E392 WeakPolarHBondContact CB-OE2 3.4Å; S385-E392 VanDerWaalsContact OG-CD 3.26Å; S385-E392 PolarHBondContact OG-OE2 2.98Å; S385-T393 PolarHBondContact N-OG1 3.41Å
386	P	69	Low	83.8	Confident	85 Å²	85	29.6 Å²	29.6	55%	0.552	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-23.3	170.2	-25.6	34.9	0	0	0	114.7	F388	P386-F388 VanDerWaalsContact C-N 3.31Å
387	T	71.1	Confident	84.9	Confident	110 Å²	110	29.5 Å²	29.5	68%	0.675	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.7	174.2	62.2	0	0	0	0	113	S385 D389	S385-T387 PolarHBondContact O-N 2.97Å; S385-T387 VanDerWaalsContact O-N 3.16Å; S385-T387 PolarHBondContact OG-N 3.35Å; S385-T387 PolarHBondContact OG-OG1 3.29Å; T387-D389 PolarHBondContact O-N 3.46Å; T387-D389 PolarHBondContact OG1-N 3.01Å
388	F	69	Low	85.7	Confident	72 Å²	72	25.5 Å²	25.5	32%	0.316	14%	0.137	S	C	.	.			trans	56.5	30.1	-169.2	-66.9	-85.7	0	0	0	114.6	E279 R290 T356 V384 S385 P386 I390	E279-F388 WeakPolarHBondContact OE2-CE1 3.49Å; E279-F388 WeakPolarHBondContact OE2-CZ 3.48Å; R290-F388 VanDerWaalsContact CZ-O 3.27Å; R290-F388 PolarHBondContact NH1-O 3.27Å; R290-F388 VanDerWaalsContact NH2-C 3.32Å; R290-F388 PolarHBondContact NH2-O 3.49Å; T356-F388 HydrophobicContact CG2-CE2 4.32Å; T356-F388 HydrophobicContact CG2-CZ 3.86Å; V384-F388 HydrophobicContact CB-CE1 4.49Å; V384-F388 HydrophobicContact CG2-CD1 4.45Å; V384-F388 HydrophobicContact CG2-CE1 3.84Å; V384-F388 HydrophobicContact CG2-CZ 4.45Å; S385-F388 WeakPolarHBondContact O-CA 2.98Å; S385-F388 PolarHBondContact O-N 3.32Å; P386-F388 VanDerWaalsContact C-N 3.31Å; F388-I390 PolarHBondContact O-N 2.93Å
389	D	79.9	Confident	86	Confident	61 Å²	61	26.8 Å²	26.8	33%	0.326	14%	0.142	S	C	.	.			trans	-64.9	133.5	166.6	-168.7	4.5	0	0	0	111.7	T387 I391 E392 T393	T387-D389 PolarHBondContact O-N 3.46Å; T387-D389 PolarHBondContact OG1-N 3.01Å; D389-I391 PolarHBondContact OD1-N 2.99Å; D389-E392 HydrophobicContact CB-CB 4.17Å; D389-T393 PolarHBondContact O-OG1 2.91Å
390	I	82.8	Confident	86.1	Confident	34 Å²	34	27.2 Å²	27.2	17%	0.174	14%	0.144	C	C	.	.	H	α-helix	trans	-78.4	-36.2	176.6	-59.2	176.6	0	0	0	109.5	M293 I294 L297 F388 T393 A394	M293-I390 HydrophobicContact CB-CD1 4.15Å; M293-I390 HydrophobicContact CB-CG2 3.96Å; M293-I390 HydrophobicContact CG-CD1 4.46Å; M293-I390 HydrophobicContact SD-CD1 3.49Å; M293-I390 WeakPolarHBondContact SD-CD1 2.95Å; I294-I390 HydrophobicContact CB-CG2 4.46Å; I294-I390 HydrophobicContact CG1-CG2 3.7Å; L297-I390 HydrophobicContact CD1-CG2 3.89Å; F388-I390 PolarHBondContact O-N 2.93Å; I390-T393 PolarHBondContact O-N 2.98Å; I390-A394 WeakPolarHBondContact O-CB 3.39Å; I390-A394 PolarHBondContact O-N 2.75Å
391	I	84.1	Confident	86.2	Confident	72 Å²	72	27.2 Å²	27.2	37%	0.369	15%	0.145	S	C	.	.	H	α-helix	trans	-67.2	-50.8	-176.5	-58.6	175.7	0	0	0	110.2	L297 D389 T393 A394 R395 M432	L297-I391 HydrophobicContact CD1-CG1 4.09Å; D389-I391 PolarHBondContact OD1-N 2.99Å; I391-T393 VanDerWaalsContact C-N 3.28Å; I391-T393 PolarHBondContact O-N 3.24Å; I391-A394 PolarHBondContact O-N 3.01Å; I391-R395 WeakPolarHBondContact O-CB 3.47Å; I391-R395 PolarHBondContact O-N 2.87Å; I391-M432 HydrophobicContact CG2-CE 3.95Å; I391-M432 HydrophobicContact CG2-CG 3.96Å; I391-M432 HydrophobicContact CG2-SD 3.66Å
392	E	83.9	Confident	86.2	Confident	36 Å²	36	27.2 Å²	27.2	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-39.1	175.2	-168.7	-173.4	158.2	0	0	112.3	R364 S385 D389 T396	R364-E392 IonicContact CZ-OE1 3.57Å; R364-E392 IonicContact NH1-OE1 3.49Å; R364-E392 PolarHBondContact NH1-OE1 3.35Å; R364-E392 IonicContact NH2-OE1 2.79Å; R364-E392 PolarHBondContact NH2-OE1 2.88Å; S385-E392 WeakPolarHBondContact CB-OE2 3.4Å; S385-E392 VanDerWaalsContact OG-CD 3.26Å; S385-E392 PolarHBondContact OG-OE2 2.98Å; D389-E392 HydrophobicContact CB-CB 4.17Å; E392-T396 WeakPolarHBondContact O-CB 2.98Å; E392-T396 PolarHBondContact O-N 3.36Å; E392-T396 PolarHBondContact O-OG1 3.26Å
393	T	88.2	Confident	86.3	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-67.9	-45.8	177.3	-52.6	0	0	0	0	111.1	I294 L353 V384 S385 D389 I390 I391 T396 I397	I294-T393 HydrophobicContact CD1-CG2 3.91Å; I294-T393 HydrophobicContact CG1-CG2 4.48Å; I294-T393 HydrophobicContact CG2-CG2 4.26Å; L353-T393 HydrophobicContact CD1-CG2 3.76Å; V384-T393 HydrophobicContact CG1-CG2 4.28Å; S385-T393 PolarHBondContact N-OG1 3.41Å; D389-T393 PolarHBondContact O-OG1 2.91Å; I390-T393 PolarHBondContact O-N 2.98Å; I391-T393 VanDerWaalsContact C-N 3.28Å; I391-T393 PolarHBondContact O-N 3.24Å; T393-T396 WeakPolarHBondContact O-CB 3.4Å; T393-T396 PolarHBondContact O-N 3.37Å; T393-I397 PolarHBondContact O-N 3.08Å
394	A	89.4	Confident	86.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-43.9	176.9	0	0	0	0	0	112.4	I294 L297 V298 I390 I391 T396 I397 A398	I294-A394 HydrophobicContact CG2-CB 4.04Å; L297-A394 HydrophobicContact CB-CB 3.64Å; L297-A394 HydrophobicContact CD1-CB 4.15Å; V298-A394 HydrophobicContact CG2-CB 3.97Å; V298-A394 WeakPolarHBondContact CG2-O 3.41Å; I390-A394 WeakPolarHBondContact O-CB 3.39Å; I390-A394 PolarHBondContact O-N 2.75Å; I391-A394 PolarHBondContact O-N 3.01Å; A394-T396 VanDerWaalsContact C-N 3.27Å; A394-T396 PolarHBondContact O-N 3.03Å; A394-I397 PolarHBondContact O-N 3.25Å; A394-A398 PolarHBondContact O-N 3.35Å
395	R	90.7	Very high	86.7	Confident	27 Å²	27	27.1 Å²	27.1	10%	0.102	15%	0.145	C	C	.	.	H	α-helix	trans	-55.5	-42.9	172.3	178.8	-174.9	157.2	89.6	6.2	111.6	I391 A398 H399 G418 C419 V431 M432	I391-R395 WeakPolarHBondContact O-CB 3.47Å; I391-R395 PolarHBondContact O-N 2.87Å; R395-A398 PolarHBondContact O-N 3.09Å; R395-H399 PolarHBondContact O-N 2.97Å; R395-G418 PolarHBondContact NH1-O 2.5Å; R395-G418 PolarHBondContact NH2-O 3.26Å; R395-C419 PolarHBondContact NH1-O 3.43Å; R395-C419 PolarHBondContact NH2-O 3.15Å; R395-V431 PolarHBondContact NH1-O 3.16Å; R395-M432 HydrophobicContact CB-SD 3.89Å; R395-M432 HydrophobicContact CG-SD 4.45Å
396	T	91.2	Very high	87.4	Confident	12 Å²	12	27.4 Å²	27.4	7%	0.074	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-45.4	178.9	-53.3	0	0	0	0	111.2	R364 E392 T393 A394 A398 H399 E400	R364-T396 HydrophobicContact CB-CG2 4.13Å; E392-T396 WeakPolarHBondContact O-CB 2.98Å; E392-T396 PolarHBondContact O-N 3.36Å; E392-T396 PolarHBondContact O-OG1 3.26Å; T393-T396 WeakPolarHBondContact O-CB 3.4Å; T393-T396 PolarHBondContact O-N 3.37Å; A394-T396 VanDerWaalsContact C-N 3.27Å; A394-T396 PolarHBondContact O-N 3.03Å; T396-A398 VanDerWaalsContact C-N 3.31Å; T396-A398 PolarHBondContact O-N 2.02Å; T396-H399 WeakPolarHBondContact O-CB 3.37Å; T396-H399 PolarHBondContact O-N 2.88Å; T396-E400 WeakPolarHBondContact O-CG 3.33Å; T396-E400 PolarHBondContact O-N 3.43Å; T396-E400 VanDerWaalsContact O-N 3.08Å
397	I	94.4	Very high	88.5	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-41.2	175.3	-64.2	-178.6	0	0	0	111.1	M270 I294 I295 V298 L353 T393 A394 H399 E400 L401	M270-I397 HydrophobicContact CE-CD1 4.05Å; I294-I397 HydrophobicContact CG2-CD1 3.64Å; I295-I397 HydrophobicContact CD1-CD1 4.33Å; I295-I397 HydrophobicContact CD1-CG2 4.45Å; V298-I397 HydrophobicContact CG1-CG2 4.41Å; V298-I397 HydrophobicContact CG2-CB 4Å; V298-I397 HydrophobicContact CG2-CG2 4Å; L353-I397 HydrophobicContact CD1-CD1 4.5Å; T393-I397 PolarHBondContact O-N 3.08Å; A394-I397 PolarHBondContact O-N 3.25Å; I397-H399 PolarHBondContact O-N 3.38Å; I397-E400 PolarHBondContact O-N 3.5Å; I397-L401 HydrophobicContact CG2-CD1 3.87Å; I397-L401 HydrophobicContact CG2-CG 4.27Å; I397-L401 WeakPolarHBondContact O-CB 3.1Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.1Å
398	A	94.9	Very high	89.3	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-39	177.4	0	0	0	0	0	113.1	L301 F302 A394 R395 T396 G402 I420 W434	L301-A398 HydrophobicContact CB-CB 4.45Å; L301-A398 HydrophobicContact CD1-CB 3.53Å; F302-A398 HydrophobicContact CE2-CB 4.07Å; A394-A398 PolarHBondContact O-N 3.35Å; R395-A398 PolarHBondContact O-N 3.09Å; T396-A398 VanDerWaalsContact C-N 3.31Å; T396-A398 PolarHBondContact O-N 2.02Å; A398-G402 PolarHBondContact O-N 3.26Å; A398-I420 HydrophobicContact CB-CG2 4.33Å; A398-W434 HydrophobicContact CB-CZ2 4.29Å; A398-W434 WeakPolarHBondContact O-CH2 3.28Å
399	H	94.3	Very high	90.3	Very high	26 Å²	26	26.9 Å²	26.9	12%	0.12	12%	0.124	C	C	.	.	H	α-helix	trans	-58.9	-48.6	172.7	-176.5	105	0	0	0	111.8	R395 T396 I397 G402 H403 H409 I420 A422	R395-H399 PolarHBondContact O-N 2.97Å; T396-H399 WeakPolarHBondContact O-CB 3.37Å; T396-H399 PolarHBondContact O-N 2.88Å; I397-H399 PolarHBondContact O-N 3.38Å; H399-G402 WeakPolarHBondContact O-CA 3.42Å; H399-G402 PolarHBondContact O-N 2.86Å; H399-H403 AromaticContact CD2-CD2 3.47Å; H399-H403 PolarHBondContact CD2-CD2 2.03Å; H399-H403 VanDerWaalsContact CD2-CD2 3.47Å; H399-H403 AromaticContact CD2-NE2 3.32Å; H399-H403 PolarHBondContact CD2-NE2 2.97Å; H399-H403 VanDerWaalsContact CD2-NE2 3.32Å; H399-H403 AromaticContact CE1-NE2 3.85Å; H399-H403 AromaticContact NE2-CD2 3.64Å; H399-H403 AromaticContact NE2-NE2 2.96Å; H399-H403 PolarHBondContact NE2-NE2 2.89Å; H399-H403 PolarHBondContact O-CD2 3.45Å; H399-H403 VanDerWaalsContact O-CD2 3.31Å; H399-H403 PolarHBondContact O-N 3.35Å; H399-H409 AromaticContact CE1-CD2 3.33Å; H399-H409 PolarHBondContact CE1-CD2 2.82Å; H399-H409 AromaticContact CE1-NE2 3.25Å; H399-H409 PolarHBondContact CE1-NE2 2.99Å; H399-H409 AromaticContact NE2-CD2 3.49Å; H399-H409 PolarHBondContact NE2-CD2 2.75Å; H399-H409 AromaticContact NE2-NE2 2.97Å; H399-H409 PolarHBondContact NE2-NE2 2.04Å; H399-I420 HydrophobicContact CB-CG2 4.38Å; H399-I420 PolarHBondContact ND1-O 3.04Å; H399-A422 PolarHBondContact CE1-O 3.19Å; H399-A422 VanDerWaalsContact CE1-O 3.3Å
400	E	95.7	Very high	90.8	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-69.2	-41.2	-178.3	-61	-42.9	150.9	0	0	113	G365 K366 A367 T396 I397 G402 H403 N404	G365-E400 VanDerWaalsContact C-CD 3.41Å; G365-E400 VanDerWaalsContact CA-OE1 3.22Å; G365-E400 WeakPolarHBondContact CA-OE1 3.06Å; K366-E400 VanDerWaalsContact CA-CD 3.46Å; K366-E400 WeakPolarHBondContact CA-OE2 3.26Å; K366-E400 VanDerWaalsContact N-CD 3.25Å; K366-E400 PolarHBondContact N-OE1 3.17Å; K366-E400 PolarHBondContact N-OE2 3.15Å; A367-E400 HydrophobicContact CB-CB 3.85Å; A367-E400 WeakPolarHBondContact CB-O 3.4Å; A367-E400 PolarHBondContact N-OE2 2.78Å; T396-E400 WeakPolarHBondContact O-CG 3.33Å; T396-E400 PolarHBondContact O-N 3.43Å; T396-E400 VanDerWaalsContact O-N 3.08Å; I397-E400 PolarHBondContact O-N 3.5Å; E400-G402 PolarHBondContact O-N 3.19Å; E400-H403 WeakPolarHBondContact O-CB 3.41Å; E400-H403 PolarHBondContact O-N 2.85Å; E400-H403 VanDerWaalsContact O-N 3.12Å; E400-H403 IonicContact OE2-CD2 2.67Å; E400-N404 PolarHBondContact O-N 3.46Å; E400-N404 PolarHBondContact O-OD1 2.95Å
401	L	95.9	Very high	91	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-36.6	170.8	-69.7	175.6	0	0	0	111	L268 V298 F302 I309 M372 I397 H403 N404 F405	L268-L401 HydrophobicContact CD1-CD2 4.21Å; V298-L401 HydrophobicContact CG1-CD1 4.19Å; F302-L401 HydrophobicContact CE2-CB 4.07Å; F302-L401 HydrophobicContact CE2-CD1 4.19Å; F302-L401 HydrophobicContact CZ-CB 3.89Å; I309-L401 HydrophobicContact CD1-CD1 3.66Å; I309-L401 HydrophobicContact CG1-CD1 4.47Å; M372-L401 HydrophobicContact CE-CD2 4.48Å; I397-L401 HydrophobicContact CG2-CD1 3.87Å; I397-L401 HydrophobicContact CG2-CG 4.27Å; I397-L401 WeakPolarHBondContact O-CB 3.1Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.1Å; L401-H403 VanDerWaalsContact C-N 3.34Å; L401-H403 PolarHBondContact O-N 3.32Å; L401-N404 WeakPolarHBondContact O-CA 3.38Å; L401-N404 WeakPolarHBondContact O-CB 3.33Å; L401-N404 PolarHBondContact O-N 3.1Å; L401-N404 VanDerWaalsContact O-N 3.07Å; L401-F405 WeakPolarHBondContact O-CD2 3.49Å; L401-F405 PolarHBondContact O-N 2.96Å
402	G	95.1	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.4	-46.2	170	0	0	0	0	0	112.7	A398 H399 E400 F405 G406 L407	A398-G402 PolarHBondContact O-N 3.26Å; H399-G402 WeakPolarHBondContact O-CA 3.42Å; H399-G402 PolarHBondContact O-N 2.86Å; E400-G402 PolarHBondContact O-N 3.19Å; G402-F405 WeakPolarHBondContact O-CB 3.18Å; G402-F405 PolarHBondContact O-N 3.37Å; G402-G406 PolarHBondContact O-N 3.28Å; G402-L407 WeakPolarHBondContact O-CB 3.38Å; G402-L407 PolarHBondContact O-N 2.77Å
403	H	93.4	Very high	91.1	Very high	20 Å²	20	39 Å²	39	9%	0.093	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-44.8	170.9	-72.3	-69	0	0	0	111.8	A367 H369 M370 H399 E400 L401 F405 G406 L407 H409	A367-H403 HydrophobicContact CB-CB 4.08Å; H369-H403 CarbonylContact C-O 3.54Å; H369-H403 VanDerWaalsContact CA-O 3.22Å; H369-H403 WeakPolarHBondContact CA-O 3.25Å; M370-H403 PolarHBondContact N-O 3.36Å; H399-H403 AromaticContact CD2-CD2 3.47Å; H399-H403 PolarHBondContact CD2-CD2 2.03Å; H399-H403 VanDerWaalsContact CD2-CD2 3.47Å; H399-H403 AromaticContact CD2-NE2 3.32Å; H399-H403 PolarHBondContact CD2-NE2 2.97Å; H399-H403 VanDerWaalsContact CD2-NE2 3.32Å; H399-H403 AromaticContact CE1-NE2 3.85Å; H399-H403 AromaticContact NE2-CD2 3.64Å; H399-H403 AromaticContact NE2-NE2 2.96Å; H399-H403 PolarHBondContact NE2-NE2 2.89Å; H399-H403 PolarHBondContact O-CD2 3.45Å; H399-H403 VanDerWaalsContact O-CD2 3.31Å; H399-H403 PolarHBondContact O-N 3.35Å; E400-H403 WeakPolarHBondContact O-CB 3.41Å; E400-H403 PolarHBondContact O-N 2.85Å; E400-H403 VanDerWaalsContact O-N 3.12Å; E400-H403 IonicContact OE2-CD2 2.67Å; L401-H403 VanDerWaalsContact C-N 3.34Å; L401-H403 PolarHBondContact O-N 3.32Å; H403-F405 PolarHBondContact O-N 3.48Å; H403-G406 WeakPolarHBondContact O-CA 3.44Å; H403-G406 PolarHBondContact O-N 3.44Å; H403-L407 PolarHBondContact ND1-O 2.86Å; H403-H409 AromaticContact CE1-CD2 3.61Å; H403-H409 AromaticContact CE1-CE1 4Å; H403-H409 AromaticContact CE1-NE2 3.5Å; H403-H409 AromaticContact NE2-CD2 3.62Å; H403-H409 AromaticContact NE2-NE2 3.27Å; H403-H409 PolarHBondContact NE2-NE2 3.29Å
404	N	92.8	Very high	91.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.6	-40	176.1	-68.4	124	0	0	0	111.6	N368 M370 T371 M372 V379 E400 L401 G406	N368-N404 PolarHBondContact O-ND2 3.46Å; M370-N404 CarbonylContact C-O 3.47Å; M370-N404 WeakPolarHBondContact CA-O 3.3Å; T371-N404 PolarHBondContact N-O 3.31Å; T371-N404 PolarHBondContact OG1-ND2 3.1Å; T371-N404 VanDerWaalsContact OG1-ND2 3.14Å; M372-N404 HydrophobicContact CE-CB 3.94Å; M372-N404 PolarHBondContact N-O 3.09Å; V379-N404 PolarHBondContact O-ND2 2.9Å; V379-N404 VanDerWaalsContact O-ND2 3.15Å; E400-N404 PolarHBondContact O-N 3.46Å; E400-N404 PolarHBondContact O-OD1 2.95Å; L401-N404 WeakPolarHBondContact O-CA 3.38Å; L401-N404 WeakPolarHBondContact O-CB 3.33Å; L401-N404 PolarHBondContact O-N 3.1Å; L401-N404 VanDerWaalsContact O-N 3.07Å; N404-G406 PolarHBondContact O-N 3.14Å
405	F	91.1	Very high	91	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.1	171.7	-80.2	-71.4	0	0	0	114.9	V266 F302 I307 M372 L401 G402 H403 L442 L446 M450 L454	V266-F405 HydrophobicContact CG2-CZ 3.99Å; F302-F405 HydrophobicContact CD1-CE2 4.41Å; F302-F405 AromaticContact CE1-CD2 3.97Å; F302-F405 HydrophobicContact CE1-CD2 3.97Å; F302-F405 AromaticContact CE1-CE2 3.69Å; F302-F405 HydrophobicContact CE1-CE2 3.69Å; F302-F405 HydrophobicContact CZ-CD2 4.25Å; F302-F405 HydrophobicContact CZ-CE2 4.05Å; I307-F405 HydrophobicContact CD1-CE1 4.03Å; I307-F405 HydrophobicContact CD1-CE2 4.24Å; I307-F405 HydrophobicContact CD1-CZ 3.71Å; I307-F405 HydrophobicContact CG2-CZ 4.2Å; M372-F405 HydrophobicContact CB-CD1 4.34Å; M372-F405 HydrophobicContact CE-CD1 4.46Å; M372-F405 HydrophobicContact CE-CD2 4.07Å; M372-F405 HydrophobicContact CE-CE1 4.3Å; M372-F405 HydrophobicContact CE-CE2 3.84Å; M372-F405 HydrophobicContact CE-CG 4.35Å; M372-F405 HydrophobicContact CE-CZ 3.96Å; M372-F405 HydrophobicContact CG-CD1 4.16Å; M372-F405 HydrophobicContact CG-CE1 4.09Å; L401-F405 WeakPolarHBondContact O-CD2 3.49Å; L401-F405 PolarHBondContact O-N 2.96Å; G402-F405 WeakPolarHBondContact O-CB 3.18Å; G402-F405 PolarHBondContact O-N 3.37Å; H403-F405 PolarHBondContact O-N 3.48Å; F405-L442 HydrophobicContact CB-CD1 3.63Å; F405-L442 HydrophobicContact CD1-CD1 3.68Å; F405-L442 HydrophobicContact CD2-CD1 4.48Å; F405-L442 HydrophobicContact CE1-CD1 4.42Å; F405-L442 HydrophobicContact CG-CD1 3.72Å; F405-L446 HydrophobicContact CD1-CD2 4.27Å; F405-L446 HydrophobicContact CE1-CD2 3.98Å; F405-M450 WeakPolarHBondContact O-CG 3.44Å; F405-L454 HydrophobicContact CD1-CD1 4.31Å; F405-L454 HydrophobicContact CE1-CD1 3.31Å; F405-L454 HydrophobicContact CZ-CD1 3.84Å
406	G	88.2	Confident	90.6	Very high	8 Å²	8	47.3 Å²	47.3	8%	0.082	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	16.7	-178.5	0	0	0	0	0	114.7	H369 G402 H403 N404 L445	H369-G406 PolarHBondContact NE2-O 3.22Å; G402-G406 PolarHBondContact O-N 3.28Å; H403-G406 WeakPolarHBondContact O-CA 3.44Å; H403-G406 PolarHBondContact O-N 3.44Å; N404-G406 PolarHBondContact O-N 3.14Å; G406-L445 WeakPolarHBondContact O-CD1 3.27Å
407	L	91.7	Very high	90.1	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.016	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-67.1	144.6	162.1	-69.4	178.9	0	0	0	109.6	H369 G402 H403 M421 W434 D441 L442 L445	H369-L407 PolarHBondContact CD2-O 3.35Å; G402-L407 WeakPolarHBondContact O-CB 3.38Å; G402-L407 PolarHBondContact O-N 2.77Å; H403-L407 PolarHBondContact ND1-O 2.86Å; L407-M421 HydrophobicContact CB-CE 3.93Å; L407-M421 HydrophobicContact CB-CG 4.41Å; L407-M421 HydrophobicContact CB-SD 4.38Å; L407-M421 HydrophobicContact CD1-CG 4.3Å; L407-W434 HydrophobicContact CD1-CE3 4.05Å; L407-W434 HydrophobicContact CD1-CH2 4.39Å; L407-W434 HydrophobicContact CD1-CZ3 3.61Å; L407-D441 HydrophobicContact CD2-CB 3.95Å; L407-L442 HydrophobicContact CD1-CB 4.3Å; L407-L442 HydrophobicContact CD1-CD2 4.34Å; L407-L442 HydrophobicContact CD2-CB 4.02Å; L407-L442 HydrophobicContact CG-CB 4.31Å; L407-L445 HydrophobicContact CD2-CD1 4.23Å
408	R	87.9	Confident	89.4	Confident	175 Å²	175	55.5 Å²	55.5	66%	0.66	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-98.1	171.7	173.1	-65.1	-178.4	176.1	-161.5	-3	109.8	M421	R408-M421 WeakPolarHBondContact O-CB 3.34Å; R408-M421 WeakPolarHBondContact O-CE 3.38Å
409	H	91.1	Very high	89.3	Confident	78 Å²	78	55.5 Å²	55.5	36%	0.361	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.1	168.1	-68	143.5	0	0	0	112	H399 H403 M421 T423	H399-H409 AromaticContact CE1-CD2 3.33Å; H399-H409 PolarHBondContact CE1-CD2 2.82Å; H399-H409 AromaticContact CE1-NE2 3.25Å; H399-H409 PolarHBondContact CE1-NE2 2.99Å; H399-H409 AromaticContact NE2-CD2 3.49Å; H399-H409 PolarHBondContact NE2-CD2 2.75Å; H399-H409 AromaticContact NE2-NE2 2.97Å; H399-H409 PolarHBondContact NE2-NE2 2.04Å; H403-H409 AromaticContact CE1-CD2 3.61Å; H403-H409 AromaticContact CE1-CE1 4Å; H403-H409 AromaticContact CE1-NE2 3.5Å; H403-H409 AromaticContact NE2-CD2 3.62Å; H403-H409 AromaticContact NE2-NE2 3.27Å; H403-H409 PolarHBondContact NE2-NE2 3.29Å; H409-M421 CarbonylContact C-O 3.54Å; H409-M421 WeakPolarHBondContact CA-O 3.38Å; H409-M421 WeakPolarHBondContact CB-O 3.39Å; H409-M421 PolarHBondContact CD2-O 3.37Å; H409-M421 VanDerWaalsContact CD2-O 3.29Å; H409-T423 HydrophobicContact CB-CG2 3.52Å
410	D	89.6	Confident	89.2	Confident	17 Å²	17	54.2 Å²	54.2	9%	0.091	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-66.1	132.4	175.9	-71.4	-43.3	0	0	0	110.8	C414 C419 M421 S435	D410-C414 HydrophobicContact CB-CB 4.23Å; D410-C419 WeakPolarHBondContact OD2-CB 3.4Å; D410-M421 PolarHBondContact N-O 2.86Å; D410-M421 WeakPolarHBondContact OD2-CB 3.42Å; D410-M421 PolarHBondContact OD2-N 3.03Å; D410-S435 WeakPolarHBondContact OD1-CB 3.17Å; D410-S435 PolarHBondContact OD1-OG 3.26Å
411	T	86.6	Confident	89	Confident	74 Å²	74	53.8 Å²	53.8	45%	0.454	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-94	170.9	169.9	56.2	0	0	0	0	110.6	E413 C414	T411-E413 PolarHBondContact O-N 2.85Å; T411-C414 VanDerWaalsContact O-CB 3.28Å; T411-C414 WeakPolarHBondContact O-CB 3.21Å; T411-C414 PolarHBondContact O-N 2.79Å
412	E	83.1	Confident	88.7	Confident	193 Å²	193	54.4 Å²	54.4	90%	0.902	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.5	-32.5	174.2	-62.4	180	174	0	0	112	C414 E415	E412-C414 PolarHBondContact O-N 2.84Å; E412-C414 VanDerWaalsContact O-N 3.1Å; E412-E415 PolarHBondContact O-N 3.21Å; E412-E415 VanDerWaalsContact O-N 3.1Å
413	E	87.1	Confident	87.9	Confident	174 Å²	174	59.7 Å²	59.7	81%	0.813	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-59.8	-16.5	173.1	-51.5	174.2	148.9	0	0	113.8	T411 E415	T411-E413 PolarHBondContact O-N 2.85Å; E413-E415 VanDerWaalsContact C-N 3.31Å
414	C	88.7	Confident	86.6	Confident	7 Å²	7	60.5 Å²	60.5	5%	0.047	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-87.8	4.7	178.3	-59.7	0	0	0	0	113.4	D410 T411 E412 C416 P436 C437	D410-C414 HydrophobicContact CB-CB 4.23Å; T411-C414 VanDerWaalsContact O-CB 3.28Å; T411-C414 WeakPolarHBondContact O-CB 3.21Å; T411-C414 PolarHBondContact O-N 2.79Å; E412-C414 PolarHBondContact O-N 2.84Å; E412-C414 VanDerWaalsContact O-N 3.1Å; C414-C416 PolarHBondContact O-N 2.87Å; C414-P436 WeakPolarHBondContact O-CD 3.12Å; C414-C437 WeakPolarHBondContact CA-SG 3.5Å; C414-C437 HydrophobicContact CB-CB 3.84Å; C414-C437 WeakPolarHBondContact CB-SG 3.38Å; C414-C437 WeakPolarHBondContact SG-CB 3.11Å; C414-C437 CovalentContact SG-SG 2.04Å; C414-C437 PolarHBondContact SG-SG 3.4Å
415	E	86.8	Confident	84.9	Confident	179 Å²	179	63.3 Å²	63.3	84%	0.836	32%	0.323	S	S	*	.			trans	51.2	29.2	171	-60.4	-173.5	161.9	0	0	114.9	E412 E413	E412-E415 PolarHBondContact O-N 3.21Å; E412-E415 VanDerWaalsContact O-N 3.1Å; E413-E415 VanDerWaalsContact C-N 3.31Å
416	C	83.8	Confident	83.1	Confident	17 Å²	17	68.4 Å²	68.4	12%	0.115	35%	0.346	C	S	.	.			trans	-145.6	88.5	-176.5	-168.7	0	0	0	0	113.8	C414 C419 K433	C414-C416 PolarHBondContact O-N 2.87Å; C416-C419 HydrophobicContact CB-CB 3.7Å; C416-C419 WeakPolarHBondContact CB-SG 3.22Å; C416-C419 PolarHBondContact O-N 3.38Å; C416-C419 WeakPolarHBondContact SG-CB 3.48Å; C416-C419 CovalentContact SG-SG 2.02Å; C416-C419 PolarHBondContact SG-SG 3.19Å; C416-K433 WeakPolarHBondContact SG-CE 3.47Å
417	Q	79.1	Confident	81.1	Confident	181 Å²	181	76.2 Å²	76.2	85%	0.846	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	141.7	163.2	-68.7	175	-16.6	0	0	110.4	C419	Q417-C419 PolarHBondContact O-N 2.97Å; Q417-C419 VanDerWaalsContact O-N 3.1Å
418	G	81.2	Confident	79	Confident	2 Å²	2	79.6 Å²	79.6	2%	0.021	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	7.2	-178.9	0	0	0	0	0	116.5	R395 V431	R395-G418 PolarHBondContact NH1-O 2.5Å; R395-G418 PolarHBondContact NH2-O 3.26Å; G418-V431 WeakPolarHBondContact O-CB 3.14Å; G418-V431 WeakPolarHBondContact O-CG1 3.26Å
419	C	91.6	Very high	77.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.393	C	S	.	.			trans	-58.1	165.3	175	-102.3	0	0	0	0	112.7	R395 D410 C416 Q417 M421 A422 K433 S435	R395-C419 PolarHBondContact NH1-O 3.43Å; R395-C419 PolarHBondContact NH2-O 3.15Å; D410-C419 WeakPolarHBondContact OD2-CB 3.4Å; C416-C419 HydrophobicContact CB-CB 3.7Å; C416-C419 WeakPolarHBondContact CB-SG 3.22Å; C416-C419 PolarHBondContact O-N 3.38Å; C416-C419 WeakPolarHBondContact SG-CB 3.48Å; C416-C419 CovalentContact SG-SG 2.02Å; C416-C419 PolarHBondContact SG-SG 3.19Å; Q417-C419 PolarHBondContact O-N 2.97Å; Q417-C419 VanDerWaalsContact O-N 3.1Å; C419-M421 PolarHBondContact O-N 3.42Å; C419-A422 VanDerWaalsContact O-CB 3.26Å; C419-A422 WeakPolarHBondContact O-CB 3.43Å; C419-A422 PolarHBondContact O-N 3.09Å; C419-K433 PolarHBondContact SG-O 3.39Å; C419-K433 VanDerWaalsContact SG-O 3.37Å; C419-S435 VanDerWaalsContact SG-CA 3.51Å; C419-S435 PolarHBondContact SG-N 3.2Å; C419-S435 VanDerWaalsContact SG-N 3.36Å
420	I	92.4	Very high	76.5	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.6	-176.1	-71.4	162.3	0	0	0	112	L301 A398 H399 A422 K433 W434	L301-I420 HydrophobicContact CD1-CD1 4Å; L301-I420 HydrophobicContact CD2-CD1 3.71Å; L301-I420 HydrophobicContact CG-CD1 4.32Å; A398-I420 HydrophobicContact CB-CG2 4.33Å; H399-I420 HydrophobicContact CB-CG2 4.38Å; H399-I420 PolarHBondContact ND1-O 3.04Å; I420-A422 VanDerWaalsContact C-N 3.35Å; I420-A422 PolarHBondContact O-N 3.28Å; I420-K433 VanDerWaalsContact CD1-C 3.49Å; I420-K433 WeakPolarHBondContact CG1-O 3.38Å; I420-K433 PolarHBondContact N-O 3.36Å; I420-W434 HydrophobicContact CB-CD2 4.26Å; I420-W434 HydrophobicContact CB-CE3 4.01Å; I420-W434 HydrophobicContact CB-CZ3 4.25Å; I420-W434 HydrophobicContact CD1-CD2 3.76Å; I420-W434 HydrophobicContact CD1-CE3 4.37Å; I420-W434 HydrophobicContact CD1-CG 3.92Å; I420-W434 HydrophobicContact CD1-CZ2 4.24Å; I420-W434 HydrophobicContact CG2-CD2 4.35Å; I420-W434 HydrophobicContact CG2-CE3 3.94Å; I420-W434 HydrophobicContact CG2-CH2 3.79Å; I420-W434 HydrophobicContact CG2-CZ2 4.19Å; I420-W434 HydrophobicContact CG2-CZ3 3.65Å
421	M	92.3	Very high	76.1	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	15.9	179.9	-61.6	-56.7	-64.2	0	0	114	L407 R408 H409 D410 C419 W434 S438	L407-M421 HydrophobicContact CB-CE 3.93Å; L407-M421 HydrophobicContact CB-CG 4.41Å; L407-M421 HydrophobicContact CB-SD 4.38Å; L407-M421 HydrophobicContact CD1-CG 4.3Å; R408-M421 WeakPolarHBondContact O-CB 3.34Å; R408-M421 WeakPolarHBondContact O-CE 3.38Å; H409-M421 CarbonylContact C-O 3.54Å; H409-M421 WeakPolarHBondContact CA-O 3.38Å; H409-M421 WeakPolarHBondContact CB-O 3.39Å; H409-M421 PolarHBondContact CD2-O 3.37Å; H409-M421 VanDerWaalsContact CD2-O 3.29Å; D410-M421 PolarHBondContact N-O 2.86Å; D410-M421 WeakPolarHBondContact OD2-CB 3.42Å; D410-M421 PolarHBondContact OD2-N 3.03Å; C419-M421 PolarHBondContact O-N 3.42Å; M421-W434 HydrophobicContact CG-CE3 4.09Å; M421-W434 HydrophobicContact CG-CZ3 3.77Å; M421-W434 HydrophobicContact SD-CZ3 3.79Å; M421-S438 WeakPolarHBondContact CG-OG 3.49Å
422	A	89.4	Confident	76	Confident	14 Å²	14	75.1 Å²	75.1	12%	0.116	41%	0.409	C	S	.	.			trans	-58	143.9	175.2	0	0	0	0	0	112.4	H399 C419 I420 G424	H399-A422 PolarHBondContact CE1-O 3.19Å; H399-A422 VanDerWaalsContact CE1-O 3.3Å; C419-A422 VanDerWaalsContact O-CB 3.26Å; C419-A422 WeakPolarHBondContact O-CB 3.43Å; C419-A422 PolarHBondContact O-N 3.09Å; I420-A422 VanDerWaalsContact C-N 3.35Å; I420-A422 PolarHBondContact O-N 3.28Å; A422-G424 PolarHBondContact O-N 3.47Å; A422-G424 VanDerWaalsContact O-N 3.14Å
423	T	77.5	Confident	76.2	Confident	111 Å²	111	71.3 Å²	71.3	68%	0.681	39%	0.389	S	S	*	.	S	Bend	trans	-64.3	-15.6	-175.1	50.1	0	0	0	0	115.3	H409	H409-T423 HydrophobicContact CB-CG2 3.52Å
424	G	66.9	Low	76.5	Confident	36 Å²	36	63.4 Å²	63.4	37%	0.371	35%	0.352	S	S	.	.	S	Bend	trans	-136.6	151.1	-174	0	0	0	0	0	113.4	A422 E426	A422-G424 PolarHBondContact O-N 3.47Å; A422-G424 VanDerWaalsContact O-N 3.14Å; G424-E426 VanDerWaalsContact C-N 3.31Å; G424-E426 PolarHBondContact O-N 2.76Å; G424-E426 VanDerWaalsContact O-N 3.12Å
425	V	57.9	Low	76.7	Confident	59 Å²	59	63.1 Å²	63.1	36%	0.358	35%	0.35	S	S	.	.			trans	-84.2	80	170.4	-170.7	0	0	0	0	108.5	R364 F427	R364-V425 HydrophobicContact CB-CG2 4.16Å; R364-V425 HydrophobicContact CG-CB 4.45Å; R364-V425 HydrophobicContact CG-CG1 4.3Å; R364-V425 HydrophobicContact CG-CG2 3.87Å; V425-F427 WeakPolarHBondContact O-CD2 3.5Å; V425-F427 PolarHBondContact O-N 2.87Å; V425-F427 VanDerWaalsContact O-N 3.15Å
426	E	52.2	Low	77	Confident	108 Å²	108	58.3 Å²	58.3	51%	0.505	33%	0.334	S	S	.	.			trans	-54.9	114.6	163	-77.5	168.3	-166.1	0	0	108.3	G424 G428 T429	G424-E426 VanDerWaalsContact C-N 3.31Å; G424-E426 PolarHBondContact O-N 2.76Å; G424-E426 VanDerWaalsContact O-N 3.12Å; E426-G428 PolarHBondContact O-N 3.21Å; E426-T429 HydrophobicContact CB-CG2 3.47Å; E426-T429 VanDerWaalsContact CB-CG2 3.47Å; E426-T429 WeakPolarHBondContact O-CG2 3.4Å; E426-T429 PolarHBondContact O-N 3.07Å
427	F	46.4	Very low	77.5	Confident	173 Å²	173	58.2 Å²	58.2	76%	0.759	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	116.2	-176.1	-76.6	-101.4	0	0	0	110	V425	V425-F427 WeakPolarHBondContact O-CD2 3.5Å; V425-F427 PolarHBondContact O-N 2.87Å; V425-F427 VanDerWaalsContact O-N 3.15Å
428	G	48.1	Very low	78.2	Confident	73 Å²	73	49.7 Å²	49.7	75%	0.753	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	2.7	176.5	0	0	0	0	0	116.5	E426 T430	E426-G428 PolarHBondContact O-N 3.21Å; G428-T430 PolarHBondContact O-N 2.98Å
429	T	61.5	Low	78.7	Confident	36 Å²	36	55 Å²	55	22%	0.221	32%	0.316	C	S	.	.			trans	-69.6	122.3	169.1	150.9	0	0	0	0	111.2	E426 V431	E426-T429 HydrophobicContact CB-CG2 3.47Å; E426-T429 VanDerWaalsContact CB-CG2 3.47Å; E426-T429 WeakPolarHBondContact O-CG2 3.4Å; E426-T429 PolarHBondContact O-N 3.07Å; T429-V431 VanDerWaalsContact C-N 3.29Å; T429-V431 VanDerWaalsContact OG1-CB 3.27Å; T429-V431 WeakPolarHBondContact OG1-CB 3.01Å; T429-V431 VanDerWaalsContact OG1-CG2 3.31Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.02Å; T429-V431 PolarHBondContact OG1-N 3.11Å; T429-V431 VanDerWaalsContact OG1-N 3.13Å
430	T	65.1	Low	78.5	Confident	112 Å²	112	62.8 Å²	62.8	69%	0.687	35%	0.346	S	S	*	.			trans	-92.8	17.8	172.8	53	0	0	0	0	112.1	G428 M432	G428-T430 PolarHBondContact O-N 2.98Å; T430-M432 VanDerWaalsContact C-N 3.34Å; T430-M432 PolarHBondContact O-N 2.86Å
431	V	79.9	Confident	78.4	Confident	42 Å²	42	65.6 Å²	65.6	26%	0.255	36%	0.361	S	S	.	.			trans	-77.1	82.3	-171.4	179.3	0	0	0	0	110.6	R395 G418 T429 K433	R395-V431 PolarHBondContact NH1-O 3.16Å; G418-V431 WeakPolarHBondContact O-CB 3.14Å; G418-V431 WeakPolarHBondContact O-CG1 3.26Å; T429-V431 VanDerWaalsContact C-N 3.29Å; T429-V431 VanDerWaalsContact OG1-CB 3.27Å; T429-V431 WeakPolarHBondContact OG1-CB 3.01Å; T429-V431 VanDerWaalsContact OG1-CG2 3.31Å; T429-V431 WeakPolarHBondContact OG1-CG2 3.02Å; T429-V431 PolarHBondContact OG1-N 3.11Å; T429-V431 VanDerWaalsContact OG1-N 3.13Å; V431-K433 HydrophobicContact CG1-CD 3.86Å; V431-K433 HydrophobicContact CG1-CG 3.73Å; V431-K433 PolarHBondContact O-N 2.99Å
432	M	84	Confident	78.3	Confident	60 Å²	60	65.6 Å²	65.6	30%	0.296	36%	0.361	S	S	.	.			trans	-80.8	55.2	178.3	-65.5	-63.3	-86.1	0	0	111.7	L301 I391 R395 T430	L301-M432 HydrophobicContact CD1-CE 3.66Å; L301-M432 HydrophobicContact CD1-SD 4.32Å; L301-M432 HydrophobicContact CD2-CB 3.93Å; L301-M432 HydrophobicContact CD2-CE 3.98Å; L301-M432 HydrophobicContact CD2-SD 4.45Å; L301-M432 HydrophobicContact CG-CE 3.91Å; I391-M432 HydrophobicContact CG2-CE 3.95Å; I391-M432 HydrophobicContact CG2-CG 3.96Å; I391-M432 HydrophobicContact CG2-SD 3.66Å; R395-M432 HydrophobicContact CB-SD 3.89Å; R395-M432 HydrophobicContact CG-SD 4.45Å; T430-M432 VanDerWaalsContact C-N 3.34Å; T430-M432 PolarHBondContact O-N 2.86Å
433	K	88.8	Confident	78.1	Confident	113 Å²	113	67.1 Å²	67.1	49%	0.491	37%	0.369	S	S	.	.			trans	-141.3	144.8	-179.3	83.9	-164.4	-178	-175	0	113.5	C416 C419 I420 V431	C416-K433 WeakPolarHBondContact SG-CE 3.47Å; C419-K433 PolarHBondContact SG-O 3.39Å; C419-K433 VanDerWaalsContact SG-O 3.37Å; I420-K433 VanDerWaalsContact CD1-C 3.49Å; I420-K433 WeakPolarHBondContact CG1-O 3.38Å; I420-K433 PolarHBondContact N-O 3.36Å; V431-K433 HydrophobicContact CG1-CD 3.86Å; V431-K433 HydrophobicContact CG1-CG 3.73Å; V431-K433 PolarHBondContact O-N 2.99Å
434	W	92.4	Very high	78.1	Confident	9 Å²	9	63.1 Å²	63.1	3%	0.034	35%	0.35	C	S	.	.			trans	-82	144.3	169.9	-60.5	98.2	0	0	0	111.5	L301 F302 F305 A398 L407 I420 M421 K439	L301-W434 PolarHBondContact O-NE1 2.91Å; F302-W434 HydrophobicContact CD1-CZ2 4.24Å; F302-W434 HydrophobicContact CE1-CH2 4.07Å; F302-W434 AromaticContact CE1-CZ2 3.79Å; F302-W434 HydrophobicContact CE1-CZ2 3.79Å; F302-W434 HydrophobicContact CE2-CZ2 4.1Å; F302-W434 AromaticContact CZ-CH2 3.84Å; F302-W434 HydrophobicContact CZ-CH2 3.84Å; F302-W434 AromaticContact CZ-CZ2 3.71Å; F302-W434 HydrophobicContact CZ-CZ2 3.71Å; F305-W434 HydrophobicContact CE2-CB 4.49Å; F305-W434 AromaticContact CE2-CD1 3.66Å; F305-W434 AromaticContact CE2-CD2 3.84Å; F305-W434 HydrophobicContact CE2-CD2 3.84Å; F305-W434 AromaticContact CE2-CE2 3.77Å; F305-W434 AromaticContact CE2-CG 3.77Å; F305-W434 HydrophobicContact CE2-CG 3.77Å; F305-W434 HydrophobicContact CE2-CZ2 4.42Å; F305-W434 AromaticContact CE2-NE1 3.66Å; F305-W434 HydrophobicContact CZ-CB 4.4Å; F305-W434 HydrophobicContact CZ-CD2 4.33Å; F305-W434 HydrophobicContact CZ-CG 4.12Å; A398-W434 HydrophobicContact CB-CZ2 4.29Å; A398-W434 WeakPolarHBondContact O-CH2 3.28Å; L407-W434 HydrophobicContact CD1-CE3 4.05Å; L407-W434 HydrophobicContact CD1-CH2 4.39Å; L407-W434 HydrophobicContact CD1-CZ3 3.61Å; I420-W434 HydrophobicContact CB-CD2 4.26Å; I420-W434 HydrophobicContact CB-CE3 4.01Å; I420-W434 HydrophobicContact CB-CZ3 4.25Å; I420-W434 HydrophobicContact CD1-CD2 3.76Å; I420-W434 HydrophobicContact CD1-CE3 4.37Å; I420-W434 HydrophobicContact CD1-CG 3.92Å; I420-W434 HydrophobicContact CD1-CZ2 4.24Å; I420-W434 HydrophobicContact CG2-CD2 4.35Å; I420-W434 HydrophobicContact CG2-CE3 3.94Å; I420-W434 HydrophobicContact CG2-CH2 3.79Å; I420-W434 HydrophobicContact CG2-CZ2 4.19Å; I420-W434 HydrophobicContact CG2-CZ3 3.65Å; M421-W434 HydrophobicContact CG-CE3 4.09Å; M421-W434 HydrophobicContact CG-CZ3 3.77Å; M421-W434 HydrophobicContact SD-CZ3 3.79Å; W434-K439 HydrophobicContact CB-CG 4.07Å; W434-K439 WeakPolarHBondContact O-CE 2.92Å
435	S	93.6	Very high	78.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.339	C	S	.	.			trans	-70.4	161.8	177.1	65.6	0	0	0	0	112.6	D410 C419 C437 S438 K439	D410-S435 WeakPolarHBondContact OD1-CB 3.17Å; D410-S435 PolarHBondContact OD1-OG 3.26Å; C419-S435 VanDerWaalsContact SG-CA 3.51Å; C419-S435 PolarHBondContact SG-N 3.2Å; C419-S435 VanDerWaalsContact SG-N 3.36Å; S435-C437 PolarHBondContact O-N 2.72Å; S435-S438 PolarHBondContact O-N 3.06Å; S435-S438 WeakPolarHBondContact OG-CB 3.13Å; S435-S438 PolarHBondContact OG-N 2.94Å; S435-S438 PolarHBondContact OG-OG 3Å; S435-S438 VanDerWaalsContact OG-OG 3.09Å; S435-K439 WeakPolarHBondContact O-CB 3.29Å; S435-K439 WeakPolarHBondContact O-CG 3.07Å; S435-K439 PolarHBondContact O-N 3.42Å
436	P	92.5	Very high	79.6	Confident	78 Å²	78	60.3 Å²	60.3	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-50.2	-41.8	165.8	-27.4	34.9	0	0	0	113.4	C414 K439 R440	C414-P436 WeakPolarHBondContact O-CD 3.12Å; P436-K439 PolarHBondContact O-N 2.75Å; P436-R440 WeakPolarHBondContact O-CB 3.24Å; P436-R440 PolarHBondContact O-N 2.86Å
437	C	93.7	Very high	80.3	Confident	15 Å²	15	63.3 Å²	63.3	10%	0.101	34%	0.336	C	S	.	.	H	α-helix	trans	-59	-55.8	174.2	-67.7	0	0	0	0	111.7	C414 S435 K439 R440 D441	C414-C437 WeakPolarHBondContact CA-SG 3.5Å; C414-C437 HydrophobicContact CB-CB 3.84Å; C414-C437 WeakPolarHBondContact CB-SG 3.38Å; C414-C437 WeakPolarHBondContact SG-CB 3.11Å; C414-C437 CovalentContact SG-SG 2.04Å; C414-C437 PolarHBondContact SG-SG 3.4Å; S435-C437 PolarHBondContact O-N 2.72Å; C437-K439 VanDerWaalsContact C-N 3.26Å; C437-K439 PolarHBondContact O-N 3.35Å; C437-R440 WeakPolarHBondContact O-CB 3.4Å; C437-R440 PolarHBondContact O-N 2.98Å; C437-R440 VanDerWaalsContact O-N 3.08Å; C437-D441 WeakPolarHBondContact O-CB 3.2Å; C437-D441 PolarHBondContact O-N 2.86Å
438	S	94.5	Very high	81	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-40.4	178.5	-66.8	0	0	0	0	112.3	M421 S435 L442	M421-S438 WeakPolarHBondContact CG-OG 3.49Å; S435-S438 PolarHBondContact O-N 3.06Å; S435-S438 WeakPolarHBondContact OG-CB 3.13Å; S435-S438 PolarHBondContact OG-N 2.94Å; S435-S438 PolarHBondContact OG-OG 3Å; S435-S438 VanDerWaalsContact OG-OG 3.09Å; S438-L442 WeakPolarHBondContact O-CB 3.47Å; S438-L442 PolarHBondContact O-N 2.74Å; S438-L442 VanDerWaalsContact O-N 3.16Å
439	K	91.2	Very high	81.4	Confident	113 Å²	113	56.7 Å²	56.7	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-67.9	-31.9	178	-73.8	-178.9	-179.9	-174.9	0	113.8	F305 W434 S435 P436 C437 P443	F305-K439 HydrophobicContact CZ-CG 4.31Å; W434-K439 HydrophobicContact CB-CG 4.07Å; W434-K439 WeakPolarHBondContact O-CE 2.92Å; S435-K439 WeakPolarHBondContact O-CB 3.29Å; S435-K439 WeakPolarHBondContact O-CG 3.07Å; S435-K439 PolarHBondContact O-N 3.42Å; P436-K439 PolarHBondContact O-N 2.75Å; C437-K439 VanDerWaalsContact C-N 3.26Å; C437-K439 PolarHBondContact O-N 3.35Å; K439-P443 WeakPolarHBondContact O-CD 3.38Å; K439-P443 WeakPolarHBondContact O-CG 3.21Å
440	R	89	Confident	81.7	Confident	164 Å²	164	55.3 Å²	55.3	62%	0.619	28%	0.282	S	S	*	.	H	α-helix	trans	-77.1	-43.9	174.3	-179.2	-167.8	67.4	-147.5	-11.1	111.5	P436 C437	P436-R440 WeakPolarHBondContact O-CB 3.24Å; P436-R440 PolarHBondContact O-N 2.86Å; C437-R440 WeakPolarHBondContact O-CB 3.4Å; C437-R440 PolarHBondContact O-N 2.98Å; C437-R440 VanDerWaalsContact O-N 3.08Å
441	D	90.5	Very high	81.6	Confident	60 Å²	60	50 Å²	50	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-84.6	-37.4	-163.5	-64.5	-20.8	0	0	0	112.9	L407 C437 G444 L445	L407-D441 HydrophobicContact CD2-CB 3.95Å; C437-D441 WeakPolarHBondContact O-CB 3.2Å; C437-D441 PolarHBondContact O-N 2.86Å; D441-G444 CarbonylContact O-C 3.44Å; D441-G444 WeakPolarHBondContact O-CA 3.46Å; D441-G444 PolarHBondContact O-N 2.55Å; D441-G444 VanDerWaalsContact O-N 3.07Å; D441-L445 WeakPolarHBondContact O-CG 3.37Å; D441-L445 PolarHBondContact O-N 3.43Å
442	L	90.4	Very high	80.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-46.5	179.9	-179.2	54	0	0	0	113.4	F302 F305 I307 F405 L407 S438 G444 L445 L446	F302-L442 HydrophobicContact CE1-CD2 4.3Å; F305-L442 HydrophobicContact CB-CD2 4.44Å; F305-L442 HydrophobicContact CD1-CB 4.13Å; F305-L442 HydrophobicContact CD1-CD2 3.87Å; F305-L442 HydrophobicContact CD1-CG 4.09Å; F305-L442 HydrophobicContact CD2-CD2 3.76Å; F305-L442 HydrophobicContact CE1-CB 3.77Å; F305-L442 HydrophobicContact CE1-CD2 3.94Å; F305-L442 HydrophobicContact CE1-CG 4.17Å; F305-L442 HydrophobicContact CE2-CD2 3.82Å; F305-L442 HydrophobicContact CG-CD2 3.77Å; F305-L442 HydrophobicContact CG-CG 4.4Å; F305-L442 HydrophobicContact CZ-CB 4.19Å; F305-L442 HydrophobicContact CZ-CD2 3.91Å; I307-L442 HydrophobicContact CD1-CD2 3.97Å; I307-L442 HydrophobicContact CD1-CG 4.49Å; F405-L442 HydrophobicContact CB-CD1 3.63Å; F405-L442 HydrophobicContact CD1-CD1 3.68Å; F405-L442 HydrophobicContact CD2-CD1 4.48Å; F405-L442 HydrophobicContact CE1-CD1 4.42Å; F405-L442 HydrophobicContact CG-CD1 3.72Å; L407-L442 HydrophobicContact CD1-CB 4.3Å; L407-L442 HydrophobicContact CD1-CD2 4.34Å; L407-L442 HydrophobicContact CD2-CB 4.02Å; L407-L442 HydrophobicContact CG-CB 4.31Å; S438-L442 WeakPolarHBondContact O-CB 3.47Å; S438-L442 PolarHBondContact O-N 2.74Å; S438-L442 VanDerWaalsContact O-N 3.16Å; L442-G444 PolarHBondContact O-N 2.71Å; L442-L445 PolarHBondContact O-N 3.45Å; L442-L445 VanDerWaalsContact O-N 3.11Å; L442-L446 HydrophobicContact CD1-CD1 4.45Å; L442-L446 HydrophobicContact CD1-CG 4.2Å; L442-L446 HydrophobicContact CG-CD1 4.37Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.19Å
443	P	85.2	Confident	80.1	Confident	45 Å²	45	46.1 Å²	46.1	29%	0.292	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-25.5	171.9	-23.4	35.6	0	0	0	113.2	F305 K439 K447	F305-P443 HydrophobicContact CD1-CG 4.1Å; F305-P443 HydrophobicContact CE1-CG 4.28Å; K439-P443 WeakPolarHBondContact O-CD 3.38Å; K439-P443 WeakPolarHBondContact O-CG 3.21Å; P443-K447 WeakPolarHBondContact O-CD 3.39Å; P443-K447 VanDerWaalsContact O-CG 3.25Å; P443-K447 WeakPolarHBondContact O-CG 3.19Å; P443-K447 PolarHBondContact O-N 3.29Å
444	G	76.4	Confident	79.4	Confident	27 Å²	27	40.7 Å²	40.7	28%	0.278	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-50.7	170.1	0	0	0	0	0	112	D441 L442 L446 K447 H448	D441-G444 CarbonylContact O-C 3.44Å; D441-G444 WeakPolarHBondContact O-CA 3.46Å; D441-G444 PolarHBondContact O-N 2.55Å; D441-G444 VanDerWaalsContact O-N 3.07Å; L442-G444 PolarHBondContact O-N 2.71Å; G444-L446 PolarHBondContact O-N 2.67Å; G444-K447 PolarHBondContact O-N 3.14Å; G444-H448 PolarHBondContact O-N 2.64Å; G444-H448 VanDerWaalsContact O-N 3.13Å; G444-H448 PolarHBondContact O-ND1 3.35Å
445	L	79.2	Confident	78.1	Confident	27 Å²	27	41.2 Å²	41.2	14%	0.141	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-42.6	-179.6	-71.5	158.2	0	0	0	112.2	M370 G406 L407 D441 L442 K447 H448 G449 M450 L735	M370-L445 HydrophobicContact CE-CD2 4.31Å; G406-L445 WeakPolarHBondContact O-CD1 3.27Å; L407-L445 HydrophobicContact CD2-CD1 4.23Å; D441-L445 WeakPolarHBondContact O-CG 3.37Å; D441-L445 PolarHBondContact O-N 3.43Å; L442-L445 PolarHBondContact O-N 3.45Å; L442-L445 VanDerWaalsContact O-N 3.11Å; L445-K447 VanDerWaalsContact C-N 3.35Å; L445-K447 PolarHBondContact O-N 3.12Å; L445-H448 CarbonylContact O-C 3Å; L445-H448 PolarHBondContact O-N 3.45Å; L445-H448 VanDerWaalsContact O-N 3.12Å; L445-G449 PolarHBondContact O-N 2.9Å; L445-M450 HydrophobicContact CB-CB 4.32Å; L445-M450 WeakPolarHBondContact O-CB 3.49Å; L445-M450 PolarHBondContact O-N 3.11Å; L445-L735 HydrophobicContact CD2-CD1 4.32Å
446	L	77.7	Confident	76.3	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	22%	0.22	C	C	.	.	I	π-helix	trans	-58.3	-44.9	174.1	-67	169.2	0	0	0	111.7	Y264 I307 F405 L442 G444 H448 G449 L454	Y264-L446 HydrophobicContact CD1-CD2 4.45Å; Y264-L446 HydrophobicContact CD2-CD1 4.07Å; Y264-L446 HydrophobicContact CE1-CD2 4.36Å; Y264-L446 HydrophobicContact CE2-CD1 3.83Å; I307-L446 HydrophobicContact CD1-CD1 4.27Å; F405-L446 HydrophobicContact CD1-CD2 4.27Å; F405-L446 HydrophobicContact CE1-CD2 3.98Å; L442-L446 HydrophobicContact CD1-CD1 4.45Å; L442-L446 HydrophobicContact CD1-CG 4.2Å; L442-L446 HydrophobicContact CG-CD1 4.37Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 3.19Å; G444-L446 PolarHBondContact O-N 2.67Å; L446-H448 PolarHBondContact O-N 3.3Å; L446-G449 PolarHBondContact O-N 2.86Å; L446-L454 HydrophobicContact CD2-CD1 4.36Å
447	K	65.9	Low	74.4	Confident	171 Å²	171	44.4 Å²	44.4	74%	0.743	22%	0.221	S	C	*	.	I	π-helix	trans	-67.5	-18.6	176.7	-72.6	172.2	-175.7	175.2	0	114.2	P443 G444 L445 G449	P443-K447 WeakPolarHBondContact O-CD 3.39Å; P443-K447 VanDerWaalsContact O-CG 3.25Å; P443-K447 WeakPolarHBondContact O-CG 3.19Å; P443-K447 PolarHBondContact O-N 3.29Å; G444-K447 PolarHBondContact O-N 3.14Å; L445-K447 VanDerWaalsContact C-N 3.35Å; L445-K447 PolarHBondContact O-N 3.12Å; K447-G449 VanDerWaalsContact C-N 3.28Å
448	H	62.5	Low	72.3	Confident	94 Å²	94	43.8 Å²	43.8	44%	0.435	22%	0.217	S	C	.	.	I	π-helix	trans	-92	17.9	169.5	-66.5	82.4	0	0	0	112.5	G444 L445 L446 M733 L735	G444-H448 PolarHBondContact O-N 2.64Å; G444-H448 VanDerWaalsContact O-N 3.13Å; G444-H448 PolarHBondContact O-ND1 3.35Å; L445-H448 CarbonylContact O-C 3Å; L445-H448 PolarHBondContact O-N 3.45Å; L445-H448 VanDerWaalsContact O-N 3.12Å; L446-H448 PolarHBondContact O-N 3.3Å; H448-M733 VanDerWaalsContact O-O 3.09Å; H448-L735 HydrophobicContact CB-CD1 4.31Å
449	G	55.8	Low	69.6	Low	14 Å²	14	46.5 Å²	46.5	14%	0.144	24%	0.239	C	C	.	.	I	π-helix	trans	85.4	7.8	171.2	0	0	0	0	0	115.6	L445 L446 K447 G451 V452	L445-G449 PolarHBondContact O-N 2.9Å; L446-G449 PolarHBondContact O-N 2.86Å; K447-G449 VanDerWaalsContact C-N 3.28Å; G449-G451 PolarHBondContact O-N 3.45Å; G449-V452 WeakPolarHBondContact O-CB 3.35Å; G449-V452 WeakPolarHBondContact O-CG1 3.08Å; G449-V452 PolarHBondContact O-N 2.73Å; G449-V452 VanDerWaalsContact O-N 3.14Å
450	M	66.9	Low	66.8	Low	6 Å²	6	42.1 Å²	42.1	3%	0.03	22%	0.223	C	C	.	.	I	π-helix	trans	-61.6	-22.5	170.7	-170.3	60.7	59.8	0	0	112.6	M370 M372 C373 F405 L445 L735	M370-M450 HydrophobicContact CB-CE 4.36Å; M370-M450 HydrophobicContact CG-CE 3.48Å; M370-M450 VanDerWaalsContact CG-CE 3.48Å; M372-M450 HydrophobicContact CB-CG 4.05Å; M372-M450 HydrophobicContact CB-SD 3.77Å; C373-M450 PolarHBondContact SG-O 3.14Å; C373-M450 VanDerWaalsContact SG-O 3.39Å; F405-M450 WeakPolarHBondContact O-CG 3.44Å; L445-M450 HydrophobicContact CB-CB 4.32Å; L445-M450 WeakPolarHBondContact O-CB 3.49Å; L445-M450 PolarHBondContact O-N 3.11Å; M450-L735 HydrophobicContact CE-CB 3.86Å; M450-L735 HydrophobicContact CE-CD1 3.84Å
451	G	63.7	Low	64	Low	1 Å²	1	37 Å²	37	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.5	176.2	0	0	0	0	0	115.1	G449 C453 L454 H455	G449-G451 PolarHBondContact O-N 3.45Å; G451-C453 PolarHBondContact O-N 3.18Å; G451-C453 VanDerWaalsContact O-N 3.12Å; G451-L454 PolarHBondContact O-N 3.14Å; G451-L454 VanDerWaalsContact O-N 3.07Å; G451-H455 PolarHBondContact O-CD2 3.01Å
452	V	63.4	Low	61.2	Low	18 Å²	18	35.3 Å²	35.3	11%	0.109	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.2	-170.1	68.5	0	0	0	0	114.4	C373 G449 L786 A789	C373-V452 HydrophobicContact CB-CG1 4.07Å; G449-V452 WeakPolarHBondContact O-CB 3.35Å; G449-V452 WeakPolarHBondContact O-CG1 3.08Å; G449-V452 PolarHBondContact O-N 2.73Å; G449-V452 VanDerWaalsContact O-N 3.14Å; V452-L786 HydrophobicContact CG2-CG 4.37Å; V452-L786 WeakPolarHBondContact CG2-O 3.45Å; V452-A789 HydrophobicContact CB-CB 4.36Å; V452-A789 HydrophobicContact CG1-CB 3.84Å; V452-A789 HydrophobicContact CG2-CB 3.55Å
453	C	68.8	Low	58.4	Low	2 Å²	2	36.9 Å²	36.9	1%	0.014	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22	177.3	65.9	0	0	0	0	114.5	D348 C373 G451 H455 N790	D348-C453 VanDerWaalsContact CG-SG 3.58Å; D348-C453 PolarHBondContact OD1-SG 3.35Å; C373-C453 WeakPolarHBondContact CA-SG 3.39Å; C373-C453 HydrophobicContact CB-CB 3.76Å; C373-C453 WeakPolarHBondContact CB-SG 3.32Å; C373-C453 WeakPolarHBondContact SG-CB 3.46Å; C373-C453 PolarHBondContact SG-N 2.89Å; C373-C453 CovalentContact SG-SG 2.03Å; C373-C453 PolarHBondContact SG-SG 3.27Å; G451-C453 PolarHBondContact O-N 3.18Å; G451-C453 VanDerWaalsContact O-N 3.12Å; C453-H455 PolarHBondContact O-N 3.3Å; C453-N790 WeakPolarHBondContact CA-OD1 3.36Å; C453-N790 WeakPolarHBondContact CB-OD1 3.32Å
454	L	74.8	Confident	55.6	Low	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	41	-163.7	-54.4	179.2	0	0	0	113.2	Y264 V265 V266 D348 M372 F405 L446 G451	Y264-L454 CarbonylContact C-O 3.55Å; Y264-L454 WeakPolarHBondContact CA-O 3.39Å; Y264-L454 WeakPolarHBondContact CB-O 3.37Å; Y264-L454 HydrophobicContact CD1-CB 4.2Å; Y264-L454 WeakPolarHBondContact CD1-O 3.26Å; V265-L454 PolarHBondContact N-O 3.14Å; V265-L454 CarbonylContact O-C 3.59Å; V265-L454 WeakPolarHBondContact O-CA 3.11Å; V265-L454 WeakPolarHBondContact O-CB 3.47Å; V266-L454 HydrophobicContact CB-CD2 4.4Å; V266-L454 HydrophobicContact CG1-CD2 4.3Å; V266-L454 HydrophobicContact CG2-CD1 4.44Å; V266-L454 HydrophobicContact CG2-CD2 4.13Å; D348-L454 HydrophobicContact CB-CD2 3.9Å; D348-L454 WeakPolarHBondContact OD2-CD2 3.25Å; M372-L454 HydrophobicContact CG-CD1 3.63Å; M372-L454 HydrophobicContact CG-CD2 3.83Å; M372-L454 HydrophobicContact CG-CG 4.1Å; M372-L454 HydrophobicContact SD-CD1 4.49Å; M372-L454 HydrophobicContact SD-CD2 3.86Å; F405-L454 HydrophobicContact CD1-CD1 4.31Å; F405-L454 HydrophobicContact CE1-CD1 3.31Å; F405-L454 HydrophobicContact CZ-CD1 3.84Å; L446-L454 HydrophobicContact CD2-CD1 4.36Å; G451-L454 PolarHBondContact O-N 3.14Å; G451-L454 VanDerWaalsContact O-N 3.07Å
455	H	63.6	Low	53.7	Low	19 Å²	19	37.3 Å²	37.3	9%	0.088	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.1	-30.8	-137.4	-135.8	-1.7	0	0	0	110.7	Y264 G451 C453 Y787	Y264-H455 AromaticContact CD1-CE1 3.86Å; Y264-H455 AromaticContact CD1-ND1 3.73Å; Y264-H455 AromaticContact CE1-CD2 3.91Å; Y264-H455 AromaticContact CE1-CE1 3.29Å; Y264-H455 WeakPolarHBondContact CE1-CE1 3.44Å; Y264-H455 AromaticContact CE1-ND1 3.64Å; Y264-H455 AromaticContact CE1-NE2 3.45Å; Y264-H455 WeakPolarHBondContact CE1-NE2 3.38Å; Y264-H455 AromaticContact CZ-CE1 3.87Å; G451-H455 PolarHBondContact O-CD2 3.01Å; C453-H455 PolarHBondContact O-N 3.3Å; H455-Y787 HydrophobicContact CB-CD1 3.46Å; H455-Y787 VanDerWaalsContact CB-CD1 3.46Å; H455-Y787 HydrophobicContact CB-CE1 3.35Å; H455-Y787 AromaticContact CD2-CE1 3.87Å; H455-Y787 AromaticContact CG-CD1 3.9Å; H455-Y787 AromaticContact CG-CE1 3.29Å; H455-Y787 AromaticContact ND1-CE1 3.63Å; H455-Y787 WeakPolarHBondContact O-CD1 3.4Å; H455-Y787 WeakPolarHBondContact O-CE1 3.45Å
456	D	56.4	Low	51.1	Low	43 Å²	43	41.8 Å²	41.8	23%	0.23	24%	0.243	C	C	.	.	S	Bend	trans	-88.3	161.9	160.3	64.7	-64.6	0	0	0	112	R346 Y787 N790	R346-D456 IonicContact CZ-OD1 2.67Å; R346-D456 IonicContact CZ-OD2 2.72Å; R346-D456 VanDerWaalsContact CZ-OD2 3.24Å; R346-D456 IonicContact NH1-OD1 3.73Å; R346-D456 PolarHBondContact NH1-OD1 3.41Å; R346-D456 IonicContact NH1-OD2 3.83Å; R346-D456 PolarHBondContact NH1-OD2 3.15Å; R346-D456 IonicContact NH2-OD1 2.77Å; R346-D456 PolarHBondContact NH2-OD1 2.83Å; R346-D456 IonicContact NH2-OD2 3.9Å; R346-D456 PolarHBondContact NH2-OD2 2.86Å; D456-Y787 HydrophobicContact CB-CD1 4.29Å; D456-N790 PolarHBondContact OD1-ND2 3.12Å; D456-N790 VanDerWaalsContact OD1-ND2 3.17Å
457	L	52	Low	48.6	Very low	102 Å²	102	44.7 Å²	44.7	53%	0.534	27%	0.265	S	S	.	.			trans	-89.6	143.8	-178	-76.8	161	0	0	0	111	V265 A459	V265-L457 HydrophobicContact CG2-CD2 4.14Å; L457-A459 PolarHBondContact O-N 2.79Å
458	P	49.6	Very low	46.7	Very low	3 Å²	3	44.2 Å²	44.2	2%	0.019	26%	0.263	C	S	.	.			trans	-55.9	111.9	-178.8	-25.8	33.5	0	0	0	112.2	V265 E267 V310 V312 S460	V265-P458 HydrophobicContact CG1-CG 4.11Å; E267-P458 HydrophobicContact CG-CG 4.27Å; V310-P458 HydrophobicContact CB-CG 4.42Å; V310-P458 HydrophobicContact CG1-CG 4.23Å; V312-P458 HydrophobicContact CG1-CB 4.06Å; V312-P458 HydrophobicContact CG1-CG 4.28Å; P458-S460 PolarHBondContact O-N 2.87Å; P458-S460 VanDerWaalsContact O-N 3.15Å
459	A	39.6	Very low	45	Very low	58 Å²	58	44 Å²	44	48%	0.479	27%	0.268	S	S	.	.			trans	-59.5	119.2	-175.5	0	0	0	0	0	110.4	L457 T462	L457-A459 PolarHBondContact O-N 2.79Å; A459-T462 WeakPolarHBondContact O-CA 3.35Å; A459-T462 WeakPolarHBondContact O-CB 3.36Å; A459-T462 PolarHBondContact O-N 2.67Å; A459-T462 PolarHBondContact O-OG1 3.17Å
460	S	31.2	Very low	43.6	Very low	21 Å²	21	46.8 Å²	46.8	15%	0.147	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	141.8	-169.5	-49.7	0	0	0	0	112.3	L249 D250 T251 P458 T462	L249-S460 VanDerWaalsContact C-CB 3.41Å; L249-S460 WeakPolarHBondContact CD2-O 3.33Å; L249-S460 WeakPolarHBondContact O-CB 3.34Å; L249-S460 PolarHBondContact O-OG 2.82Å; L249-S460 VanDerWaalsContact O-OG 3.12Å; D250-S460 WeakPolarHBondContact O-CB 3.41Å; D250-S460 PolarHBondContact O-OG 3.41Å; T251-S460 WeakPolarHBondContact CA-OG 3.4Å; T251-S460 PolarHBondContact N-OG 2.77Å; P458-S460 PolarHBondContact O-N 2.87Å; P458-S460 VanDerWaalsContact O-N 3.15Å; S460-T462 VanDerWaalsContact C-N 3.27Å
461	G	29.8	Very low	41.6	Very low	58 Å²	58	53.9 Å²	53.9	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-18.8	-164.8	0	0	0	0	0	114.5	V463 T464	G461-V463 PolarHBondContact O-N 3.3Å; G461-T464 WeakPolarHBondContact O-CG2 3.44Å
462	T	32.5	Very low	39.8	Very low	24 Å²	24	59.3 Å²	59.3	15%	0.147	36%	0.36	C	S	.	.			trans	-70.7	-20.8	174	-51.8	0	0	0	0	112.3	V345 R346 A459 S460 T464	V345-T462 HydrophobicContact CG1-CG2 3.63Å; V345-T462 WeakPolarHBondContact CG1-O 3.49Å; R346-T462 HydrophobicContact CB-CG2 4.2Å; A459-T462 WeakPolarHBondContact O-CA 3.35Å; A459-T462 WeakPolarHBondContact O-CB 3.36Å; A459-T462 PolarHBondContact O-N 2.67Å; A459-T462 PolarHBondContact O-OG1 3.17Å; S460-T462 VanDerWaalsContact C-N 3.27Å; T462-T464 PolarHBondContact O-N 3.42Å; T462-T464 PolarHBondContact O-OG1 3.02Å
463	V	31.3	Very low	38	Very low	33 Å²	33	67.8 Å²	67.8	20%	0.2	40%	0.395	C	S	.	.	S	Bend	trans	-67.4	62.9	159.2	-169.4	0	0	0	0	108.7	V252 G461 V465	V252-V463 HydrophobicContact CG2-CG2 4.19Å; G461-V463 PolarHBondContact O-N 3.3Å; V463-V465 HydrophobicContact CG1-CG2 3.98Å; V463-V465 PolarHBondContact O-N 3.47Å
464	T	27	Very low	36	Very low	62 Å²	62	74.8 Å²	74.8	38%	0.38	44%	0.438	S	S	.	.			trans	-81.5	104.2	-176.7	42.4	0	0	0	0	108.8	R313 G461 T462	R313-T464 PolarHBondContact NH1-O 3.26Å; R313-T464 VanDerWaalsContact NH1-O 3.11Å; G461-T464 WeakPolarHBondContact O-CG2 3.44Å; T462-T464 PolarHBondContact O-N 3.42Å; T462-T464 PolarHBondContact O-OG1 3.02Å
465	V	35.5	Very low	33.7	Very low	18 Å²	18	79.5 Å²	79.5	11%	0.109	47%	0.471	C	S	.	.			trans	-132.3	99.1	-172.1	-171.4	0	0	0	0	113.4	V463 I493 Y494 D495	V463-V465 HydrophobicContact CG1-CG2 3.98Å; V463-V465 PolarHBondContact O-N 3.47Å; V465-I493 HydrophobicContact CB-CG2 4.19Å; V465-I493 HydrophobicContact CG1-CB 3.77Å; V465-I493 HydrophobicContact CG1-CG2 3.52Å; V465-I493 VanDerWaalsContact CG1-O 3.26Å; V465-I493 WeakPolarHBondContact CG1-O 3.5Å; V465-I493 HydrophobicContact CG2-CG2 4.25Å; V465-Y494 WeakPolarHBondContact CG1-O 3.5Å; V465-D495 HydrophobicContact CB-CB 3.83Å; V465-D495 HydrophobicContact CG1-CB 3.77Å
466	N	24	Very low	31.9	Very low	121 Å²	121	84.1 Å²	84.1	65%	0.647	50%	0.5	S	S	*	.			trans	-98.6	102.6	176.3	-67.6	-19.7	0	0	0	110.3	F468	N466-F468 PolarHBondContact O-N 2.9Å; N466-F468 VanDerWaalsContact O-N 3.13Å
467	S	26.5	Very low	30.8	Very low	71 Å²	71	91.2 Å²	91.2	50%	0.497	53%	0.532	S	S	.	.			trans	-66.8	106.5	162.9	-179.1	0	0	0	0	109.1
468	F	25.1	Very low	29.6	Very low	161 Å²	161	97.7 Å²	97.7	71%	0.706	55%	0.549	S	S	*	.			trans	-109.2	77	179.8	-150.1	-78.6	0	0	0	110.9	N466 P470	N466-F468 PolarHBondContact O-N 2.9Å; N466-F468 VanDerWaalsContact O-N 3.13Å; F468-P470 VanDerWaalsContact O-CD 3.23Å; F468-P470 WeakPolarHBondContact O-CD 3.4Å
469	V	27.2	Very low	28.7	Very low	89 Å²	89	107.3 Å²	107.3	54%	0.539	59%	0.591	S	S	.	*			trans	-73.2	114.4	173.9	-179.8	0	0	0	0	109.5	N471	V469-N471 PolarHBondContact O-N 3.34Å; V469-N471 VanDerWaalsContact O-N 3.1Å
470	P	26.1	Very low	28.2	Very low	72 Å²	72	111.1 Å²	111.1	47%	0.468	60%	0.603	S	S	.	*			trans	-73.3	105.6	176.6	29.9	-32.9	0	0	0	109.9	F468 S472	F468-P470 VanDerWaalsContact O-CD 3.23Å; F468-P470 WeakPolarHBondContact O-CD 3.4Å; P470-S472 VanDerWaalsContact C-N 3.33Å; P470-S472 PolarHBondContact O-N 3.29Å
471	N	26.3	Very low	28	Very low	155 Å²	155	116.4 Å²	116.4	83%	0.829	63%	0.63	S	S	*	*			trans	-69.6	84	-179.6	-113.7	-24.3	0	0	0	111.6	V469 K473	V469-N471 PolarHBondContact O-N 3.34Å; V469-N471 VanDerWaalsContact O-N 3.1Å; N471-K473 VanDerWaalsContact C-N 3.29Å; N471-K473 PolarHBondContact O-N 3.46Å
472	S	25.1	Very low	27.9	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	64%	0.636	S	S	*	*			trans	-76	69.3	-178.1	50.9	0	0	0	0	112.7	P470	P470-S472 VanDerWaalsContact C-N 3.33Å; P470-S472 PolarHBondContact O-N 3.29Å
473	K	24.9	Very low	27.7	Very low	196 Å²	196	127 Å²	127	85%	0.852	67%	0.671	S	S	*	*			trans	-153	52.2	179.3	-118.7	162.7	-166.4	171.5	0	117	N471	N471-K473 VanDerWaalsContact C-N 3.29Å; N471-K473 PolarHBondContact O-N 3.46Å
474	T	27.9	Very low	27.5	Very low	149 Å²	149	132.6 Å²	132.6	91%	0.914	70%	0.7	S	S	*	*			trans	-141.1	133.5	153.4	10.3	0	0	0	0	112.9
475	S	25.2	Very low	27.5	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	72%	0.721	S	S	*	*			trans	-72.9	153.8	-172.2	-179.5	0	0	0	0	114.3
476	T	27	Very low	27.3	Very low	116 Å²	116	141.1 Å²	141.1	71%	0.712	75%	0.751	S	S	*	*			trans	53.5	110.7	150	43.1	0	0	0	0	119.9
477	H	32.3	Very low	27.5	Very low	193 Å²	193	140.4 Å²	140.4	89%	0.894	75%	0.752	S	S	*	*				-152.3	141.7	107.8	-113.5	-80.6	0	0	0	112.1
478	R	26.6	Very low	27.5	Very low	238 Å²	238	142.6 Å²	142.6	90%	0.898	76%	0.764	S	S	*	*			trans	-81.1	134.4	173.6	-81.7	173.5	160.1	166	-8.5	110.9
479	K	32	Very low	28	Very low	205 Å²	205	136.5 Å²	136.5	89%	0.891	74%	0.741	S	S	*	*			trans	-167.1	124.9	131.1	-109.6	169.8	-177	-178.9	0	114.3
480	N	28.1	Very low	28.4	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	73%	0.728	S	S	*	*			trans	-1.3	136.2	165.7	-64.6	19.7	0	0	0	123.4
481	N	27.5	Very low	29.2	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	71%	0.713	S	S	*	*			trans	80	127.5	131.1	-67.5	18.1	0	0	0	122.2
482	N	27.9	Very low	30.1	Very low	138 Å²	138	125.4 Å²	125.4	74%	0.738	68%	0.677	S	S	*	*			trans	59	85.5	141.8	-59.7	12	0	0	0	117.9
483	N	29.3	Very low	30.8	Very low	165 Å²	165	121.1 Å²	121.1	88%	0.882	64%	0.644	S	S	*	*				-149.4	131.7	119.1	-97.2	-37.3	0	0	0	110.5
484	N	26.6	Very low	31.6	Very low	152 Å²	152	113.4 Å²	113.4	81%	0.813	61%	0.61	S	S	*	*			trans	-77.6	122.6	163.7	-69.2	-13	0	0	0	107.8
485	N	27.1	Very low	32.3	Very low	152 Å²	152	108.3 Å²	108.3	81%	0.813	58%	0.577	S	S	*	*			trans	175.9	143.6	136.2	-89.7	-22.4	0	0	0	111.8
486	S	29.9	Very low	33	Very low	107 Å²	107	107.2 Å²	107.2	75%	0.748	56%	0.558	S	S	*	*			trans	41	91.1	168.1	60	0	0	0	0	116.5
487	T	28.6	Very low	33.4	Very low	106 Å²	106	105.4 Å²	105.4	65%	0.65	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-53.8	129.7	143.9	36.9	0	0	0	0	108.2	S489	T487-S489 PolarHBondContact O-N 3.13Å
488	P	27.8	Very low	33.6	Very low	117 Å²	117	97.8 Å²	97.8	76%	0.76	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-66.8	120.3	172.4	27.5	-31.9	0	0	0	108	V490	P488-V490 PolarHBondContact O-N 3.41Å; P488-V490 VanDerWaalsContact O-N 3.16Å
489	S	34.4	Very low	34	Very low	32 Å²	32	88.7 Å²	88.7	22%	0.224	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-50.7	122.4	168.3	54.5	0	0	0	0	108.2	R321 T487 V491	R321-S489 WeakPolarHBondContact CG-OG 3.18Å; T487-S489 PolarHBondContact O-N 3.13Å; S489-V491 PolarHBondContact O-N 2.76Å
490	V	36.7	Very low	34.1	Very low	42 Å²	42	80.8 Å²	80.8	26%	0.255	45%	0.451	S	S	.	.			trans	-67.6	110.7	172.7	179.1	0	0	0	0	106.4	E318 P488	E318-V490 HydrophobicContact CB-CB 4.12Å; E318-V490 HydrophobicContact CG-CB 3.96Å; E318-V490 HydrophobicContact CG-CG1 4.25Å; E318-V490 WeakPolarHBondContact CG-O 3.34Å; E318-V490 PolarHBondContact N-O 2.9Å; E318-V490 VanDerWaalsContact N-O 3.14Å; E318-V490 WeakPolarHBondContact OE2-CB 3.34Å; P488-V490 PolarHBondContact O-N 3.41Å; P488-V490 VanDerWaalsContact O-N 3.16Å
491	V	42	Very low	34.3	Very low	27 Å²	27	83 Å²	83	16%	0.164	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.1	177.2	-177.6	0	0	0	0	108	E315 I316 S489 I493	E315-V491 HydrophobicContact CB-CG1 3.61Å; E315-V491 HydrophobicContact CG-CG1 3.64Å; I316-V491 WeakPolarHBondContact O-CA 3.46Å; S489-V491 PolarHBondContact O-N 2.76Å; V491-I493 HydrophobicContact CG1-CG1 4.03Å; V491-I493 PolarHBondContact O-N 3.03Å
492	H	45	Very low	34.6	Very low	15 Å²	15	85.2 Å²	85.2	7%	0.069	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	110.3	168.4	-62.8	-86.2	0	0	0	108.5	Y284 I316 E318 Y494	Y284-H492 AromaticContact CD2-CD2 3.63Å; Y284-H492 AromaticContact CD2-CE1 3.85Å; Y284-H492 AromaticContact CD2-CG 3.87Å; Y284-H492 AromaticContact CD2-NE2 3.61Å; Y284-H492 AromaticContact CE2-CD2 3.42Å; Y284-H492 VanDerWaalsContact CE2-CD2 3.42Å; Y284-H492 WeakPolarHBondContact CE2-CD2 3.25Å; Y284-H492 AromaticContact CE2-CE1 3.72Å; Y284-H492 AromaticContact CE2-NE2 3.13Å; Y284-H492 WeakPolarHBondContact CE2-NE2 3.46Å; Y284-H492 AromaticContact CZ-CD2 3.85Å; Y284-H492 AromaticContact CZ-NE2 3.81Å; I316-H492 HydrophobicContact CB-CB 4.37Å; I316-H492 PolarHBondContact N-O 2.98Å; I316-H492 VanDerWaalsContact N-O 3.13Å; I316-H492 PolarHBondContact O-N 2.74Å; I316-H492 VanDerWaalsContact O-N 3.16Å; E318-H492 IonicContact OE1-CD2 2.77Å; E318-H492 IonicContact OE1-CE1 3.39Å; E318-H492 IonicContact OE1-NE2 3.66Å; E318-H492 PolarHBondContact OE1-NE2 2.7Å; H492-Y494 HydrophobicContact CB-CD2 3.99Å; H492-Y494 HydrophobicContact CB-CE2 3.72Å
493	I	40.7	Very low	34.8	Very low	25 Å²	25	84 Å²	84	13%	0.128	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.6	169.2	-32.4	176.9	0	0	0	106.1	L314 V465 V491	L314-I493 VanDerWaalsContact O-CG2 3.32Å; L314-I493 WeakPolarHBondContact O-CG2 3.45Å; V465-I493 HydrophobicContact CB-CG2 4.19Å; V465-I493 HydrophobicContact CG1-CB 3.77Å; V465-I493 HydrophobicContact CG1-CG2 3.52Å; V465-I493 VanDerWaalsContact CG1-O 3.26Å; V465-I493 WeakPolarHBondContact CG1-O 3.5Å; V465-I493 HydrophobicContact CG2-CG2 4.25Å; V491-I493 HydrophobicContact CG1-CG1 4.03Å; V491-I493 PolarHBondContact O-N 3.03Å
494	Y	41.4	Very low	34.9	Very low	35 Å²	35	79.9 Å²	79.9	14%	0.137	43%	0.427	C	S	.	.			trans	-106.7	114.1	-166.9	-104.3	-83.8	0	0	0	117.3	Y284 H285 V288 I316 V465 H492	Y284-Y494 WeakPolarHBondContact CB-OH 3.48Å; H285-Y494 PolarHBondContact N-OH 2.74Å; H285-Y494 AromaticContact ND1-CE1 3.58Å; V288-Y494 HydrophobicContact CB-CD1 4.23Å; V288-Y494 HydrophobicContact CB-CG 4.25Å; V288-Y494 HydrophobicContact CG1-CD1 4.03Å; V288-Y494 HydrophobicContact CG1-CG 4.1Å; V288-Y494 HydrophobicContact CG2-CD1 3.65Å; V288-Y494 HydrophobicContact CG2-CD2 3.36Å; V288-Y494 HydrophobicContact CG2-CE1 4.01Å; V288-Y494 HydrophobicContact CG2-CE2 3.74Å; V288-Y494 HydrophobicContact CG2-CG 3.3Å; I316-Y494 HydrophobicContact CD1-CD2 3.87Å; I316-Y494 HydrophobicContact CD1-CE2 4.13Å; V465-Y494 WeakPolarHBondContact CG1-O 3.5Å; H492-Y494 HydrophobicContact CB-CD2 3.99Å; H492-Y494 HydrophobicContact CB-CE2 3.72Å
495	D	43.3	Very low	35.2	Very low	41 Å²	41	77.5 Å²	77.5	22%	0.219	42%	0.418	C	S	.	.			trans	-97.7	103.9	-172.7	178	14	0	0	0	111.6	V465 Q497 S498 E499	V465-D495 HydrophobicContact CB-CB 3.83Å; V465-D495 HydrophobicContact CG1-CB 3.77Å; D495-Q497 VanDerWaalsContact C-N 3.25Å; D495-Q497 PolarHBondContact O-N 2.87Å; D495-Q497 WeakPolarHBondContact OD1-CB 2.99Å; D495-Q497 PolarHBondContact OD1-N 2.77Å; D495-S498 PolarHBondContact O-N 2.92Å; D495-S498 VanDerWaalsContact O-N 3.13Å; D495-S498 PolarHBondContact O-OG 3.17Å; D495-S498 VanDerWaalsContact OD2-CB 3.27Å; D495-S498 WeakPolarHBondContact OD2-CB 3.44Å; D495-S498 PolarHBondContact OD2-N 3.02Å; D495-E499 PolarHBondContact O-N 3.36Å
496	W	39.9	Very low	35.6	Very low	76 Å²	76	75 Å²	75	29%	0.288	41%	0.412	S	S	.	.	H	α-helix	trans	-57.4	-33.5	177	75	-75.4	0	0	0	113.3	S498 A500 P535	W496-S498 VanDerWaalsContact C-N 3.33Å; W496-S498 PolarHBondContact O-N 2.86Å; W496-A500 PolarHBondContact O-N 3.07Å; W496-P535 HydrophobicContact CE3-CG 3.56Å; W496-P535 HydrophobicContact CZ3-CG 3.68Å
497	Q	34.9	Very low	35.7	Very low	77 Å²	77	79.9 Å²	79.9	36%	0.36	41%	0.414	S	S	.	.	H	α-helix	trans	-75.4	-20.7	179.9	-60.2	-166.4	-18.3	0	0	113.3	D495	D495-Q497 VanDerWaalsContact C-N 3.25Å; D495-Q497 PolarHBondContact O-N 2.87Å; D495-Q497 WeakPolarHBondContact OD1-CB 2.99Å; D495-Q497 PolarHBondContact OD1-N 2.77Å
498	S	35.6	Very low	36.1	Very low	34 Å²	34	80 Å²	80	24%	0.238	42%	0.415	C	S	.	.	H	α-helix	trans	-86.4	-37.4	178.3	76.6	0	0	0	0	113.4	D495 W496	D495-S498 PolarHBondContact O-N 2.92Å; D495-S498 VanDerWaalsContact O-N 3.13Å; D495-S498 PolarHBondContact O-OG 3.17Å; D495-S498 VanDerWaalsContact OD2-CB 3.27Å; D495-S498 WeakPolarHBondContact OD2-CB 3.44Å; D495-S498 PolarHBondContact OD2-N 3.02Å; W496-S498 VanDerWaalsContact C-N 3.33Å; W496-S498 PolarHBondContact O-N 2.86Å
499	E	35.4	Very low	36.1	Very low	46 Å²	46	82 Å²	82	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-73	-38.1	-176.5	-145	77.2	-95.4	0	0	111.4	H285 D495 K501 R502 I503	H285-E499 IonicContact CE1-OE1 2.66Å; H285-E499 IonicContact CE1-OE2 3.54Å; H285-E499 PolarHBondContact CE1-OE2 3.27Å; H285-E499 IonicContact ND1-OE1 3.53Å; H285-E499 IonicContact ND1-OE2 2.76Å; H285-E499 PolarHBondContact ND1-OE2 3Å; D495-E499 PolarHBondContact O-N 3.36Å; E499-K501 PolarHBondContact O-N 3Å; E499-R502 PolarHBondContact O-N 3.32Å; E499-I503 HydrophobicContact CG-CD1 4.22Å
500	A	34.9	Very low	35.9	Very low	40 Å²	40	86.5 Å²	86.5	33%	0.331	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-29.9	-47.2	166.8	0	0	0	0	0	115.2	W496 P535	W496-A500 PolarHBondContact O-N 3.07Å; A500-P535 HydrophobicContact CB-CB 3.23Å; A500-P535 HydrophobicContact CB-CG 3.68Å
501	K	31.7	Very low	35.6	Very low	184 Å²	184	90.7 Å²	90.7	80%	0.8	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	2.5	-169.9	-67.9	162.2	-177.5	158.2	0	112.7	E499	E499-K501 PolarHBondContact O-N 3Å
502	R	33.2	Very low	34.9	Very low	179 Å²	179	101.4 Å²	101.4	68%	0.675	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-4.3	-171.3	-63.4	-170.5	-165.7	-161.6	9.3	115.7	E499 P504	E499-R502 PolarHBondContact O-N 3.32Å; R502-P504 VanDerWaalsContact C-CD 3.47Å; R502-P504 WeakPolarHBondContact O-CD 3.43Å
503	I	32.7	Very low	34.4	Very low	113 Å²	113	108.6 Å²	108.6	58%	0.579	54%	0.535	S	S	*	.			trans	-99.3	89.5	179	-54.6	177.2	0	0	0	110.3	E499 V505	E499-I503 HydrophobicContact CG-CD1 4.22Å; I503-V505 PolarHBondContact O-N 2.94Å
504	P	30.9	Very low	33.8	Very low	77 Å²	77	116.7 Å²	116.7	50%	0.5	57%	0.572	S	S	.	*			trans	-68.2	118.4	157.9	30.3	-31.7	0	0	0	107.7	R502 S506 R507	R502-P504 VanDerWaalsContact C-CD 3.47Å; R502-P504 WeakPolarHBondContact O-CD 3.43Å; P504-S506 PolarHBondContact O-N 2.85Å; P504-R507 PolarHBondContact O-N 3.06Å
505	V	34.2	Very low	33.3	Very low	103 Å²	103	123.1 Å²	123.1	62%	0.624	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-55.2	-18.1	-174.2	-174.8	0	0	0	0	113.3	I503 R507	I503-V505 PolarHBondContact O-N 2.94Å; V505-R507 VanDerWaalsContact C-N 3.3Å; V505-R507 PolarHBondContact O-N 3.45Å
506	S	34.1	Very low	32.7	Very low	99 Å²	99	125.4 Å²	125.4	69%	0.692	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-73.4	3.3	-178.7	53.4	0	0	0	0	117	P504	P504-S506 PolarHBondContact O-N 2.85Å
507	R	33.4	Very low	32.4	Very low	209 Å²	209	126.3 Å²	126.3	79%	0.789	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-114.1	2.4	-176.3	-83.9	-170.3	173.3	-177.7	-0.5	117.8	P504 V505	P504-R507 PolarHBondContact O-N 3.06Å; V505-R507 VanDerWaalsContact C-N 3.3Å; V505-R507 PolarHBondContact O-N 3.45Å
508	V	35.2	Very low	32.4	Very low	110 Å²	110	130.6 Å²	130.6	67%	0.667	66%	0.661	S	S	*	*	S	Bend	trans	-81.6	-18.9	178.9	-177.1	0	0	0	0	113	T510	V508-T510 VanDerWaalsContact C-N 3.29Å; V508-T510 PolarHBondContact O-N 3.22Å
509	L	29.7	Very low	32.3	Very low	159 Å²	159	132.2 Å²	132.2	83%	0.832	67%	0.672	S	S	*	*	S	Bend	trans	-77.8	15.6	-167.3	-74.9	167.4	0	0	0	117.1
510	T	28.6	Very low	32.2	Very low	126 Å²	126	134.5 Å²	134.5	77%	0.773	69%	0.689	S	S	*	*			trans	-125.8	35.9	-174.3	62.6	0	0	0	0	115.4	V508	V508-T510 VanDerWaalsContact C-N 3.29Å; V508-T510 PolarHBondContact O-N 3.22Å
511	I	30.7	Very low	32.1	Very low	130 Å²	130	139.7 Å²	139.7	67%	0.667	71%	0.706	S	S	*	*			trans	-122.6	90.3	167.3	-55.3	-178	0	0	0	110	Q513	I511-Q513 PolarHBondContact O-N 2.88Å
512	R	27.2	Very low	32.4	Very low	251 Å²	251	138.5 Å²	138.5	95%	0.947	70%	0.701	S	S	*	*			trans	-79.8	93.6	167.2	-81.6	-176.2	170.6	-179.3	-3	110.2
513	Q	34.7	Very low	32.6	Very low	166 Å²	166	134.3 Å²	134.3	78%	0.776	69%	0.686	S	S	*	*			trans	-138.8	147.1	157.3	-72.9	-163.8	-30.8	0	0	110.3	I511 H515	I511-Q513 PolarHBondContact O-N 2.88Å; Q513-H515 PolarHBondContact O-N 3.15Å
514	H	28.9	Very low	32.9	Very low	196 Å²	196	132.9 Å²	132.9	91%	0.907	69%	0.686	S	S	*	*			trans	-79.7	84.2	-163.9	-75	-107.4	0	0	0	113.4
515	H	29.5	Very low	33.4	Very low	169 Å²	169	135.1 Å²	135.1	78%	0.782	69%	0.694	S	S	*	*	S	Bend	trans	-120.1	161.8	155.8	-76.6	-89.4	0	0	0	110.2	Q513 V517	Q513-H515 PolarHBondContact O-N 3.15Å; H515-V517 PolarHBondContact O-N 3.4Å
516	S	31.7	Very low	34	Very low	89 Å²	89	131.2 Å²	131.2	62%	0.622	67%	0.674	S	S	*	*			trans	-64.5	104	-165.9	38.3	0	0	0	0	113.5	L518 S519	S516-L518 VanDerWaalsContact C-N 3.26Å; S516-L518 PolarHBondContact O-N 2.84Å; S516-L518 VanDerWaalsContact O-N 3.11Å; S516-S519 PolarHBondContact O-N 3.25Å; S516-S519 PolarHBondContact O-OG 2.85Å
517	V	32.9	Very low	35.3	Very low	95 Å²	95	129.5 Å²	129.5	58%	0.576	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-52.8	-36.4	-170.9	179.9	0	0	0	0	113.8	H515 S519 V520 E521	H515-V517 PolarHBondContact O-N 3.4Å; V517-S519 PolarHBondContact O-N 2.88Å; V517-V520 PolarHBondContact O-N 3.2Å; V517-E521 HydrophobicContact CG1-CG 4.29Å
518	L	34.6	Very low	37	Very low	168 Å²	168	120.7 Å²	120.7	88%	0.88	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-56.5	-21.2	178	-87.6	82.5	0	0	0	114.6	S516	S516-L518 VanDerWaalsContact C-N 3.26Å; S516-L518 PolarHBondContact O-N 2.84Å; S516-L518 VanDerWaalsContact O-N 3.11Å
519	S	33.9	Very low	38.6	Very low	68 Å²	68	116 Å²	116	48%	0.476	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-87.3	-21.4	-176.5	63.7	0	0	0	0	114.5	S516 V517	S516-S519 PolarHBondContact O-N 3.25Å; S516-S519 PolarHBondContact O-OG 2.85Å; V517-S519 PolarHBondContact O-N 2.88Å
520	V	34.1	Very low	40.1	Very low	94 Å²	94	109.8 Å²	109.8	57%	0.57	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-30.8	-169.1	-176.2	0	0	0	0	112.8	V517 K522 Y523	V517-V520 PolarHBondContact O-N 3.2Å; V520-K522 PolarHBondContact O-N 3.39Å; V520-K522 VanDerWaalsContact O-N 3.15Å; V520-Y523 PolarHBondContact O-N 3.45Å
521	E	31.5	Very low	41.8	Very low	148 Å²	148	104.5 Å²	104.5	69%	0.692	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-64.3	-20.1	178.5	-67.8	-171.5	130.5	0	0	113.4	V517 Y523	V517-E521 HydrophobicContact CG1-CG 4.29Å; E521-Y523 PolarHBondContact O-N 2.96Å
522	K	38.1	Very low	43.1	Very low	160 Å²	160	99.4 Å²	99.4	70%	0.696	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.4	170.7	-167.2	176.7	178.4	-172.6	0	112.8	V520 N525	V520-K522 PolarHBondContact O-N 3.39Å; V520-K522 VanDerWaalsContact O-N 3.15Å; K522-N525 PolarHBondContact O-N 2.78Å
523	Y	37.8	Very low	44.9	Very low	90 Å²	90	89.4 Å²	89.4	35%	0.353	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-85.4	-13.2	-163.9	-101.2	-68.3	0	0	0	117.2	M293 V520 E521 N525 G526	M293-Y523 WeakPolarHBondContact CB-OH 3.1Å; M293-Y523 HydrophobicContact CE-CD1 3.69Å; M293-Y523 HydrophobicContact CE-CD2 4.01Å; M293-Y523 HydrophobicContact CE-CE1 3.61Å; M293-Y523 HydrophobicContact CE-CE2 3.91Å; M293-Y523 HydrophobicContact CE-CG 3.92Å; M293-Y523 HydrophobicContact CG-CE1 3.58Å; M293-Y523 HydrophobicContact CG-CE2 4.32Å; M293-Y523 VanDerWaalsContact CG-CZ 3.44Å; M293-Y523 WeakPolarHBondContact CG-OH 3.35Å; M293-Y523 HydrophobicContact SD-CD1 4.42Å; M293-Y523 HydrophobicContact SD-CD2 4.27Å; M293-Y523 HydrophobicContact SD-CE1 3.78Å; M293-Y523 HydrophobicContact SD-CE2 3.58Å; M293-Y523 VanDerWaalsContact SD-CE2 3.58Å; M293-Y523 PolarHBondContact SD-OH 3.3Å; V520-Y523 PolarHBondContact O-N 3.45Å; E521-Y523 PolarHBondContact O-N 2.96Å; Y523-N525 PolarHBondContact O-N 3.13Å; Y523-G526 VanDerWaalsContact CE1-O 3.25Å; Y523-G526 WeakPolarHBondContact CE1-O 3.42Å; Y523-G526 PolarHBondContact O-N 3.12Å
524	S	39.3	Very low	46.1	Very low	83 Å²	83	82.4 Å²	82.4	58%	0.58	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-75.6	-7.9	168.2	-167	0	0	0	0	113.2
525	N	41.3	Very low	47.3	Very low	125 Å²	125	76 Å²	76	67%	0.668	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-122.6	21.8	176.4	-55.6	-37.7	0	0	0	110.7	K522 Y523	K522-N525 PolarHBondContact O-N 2.78Å; Y523-N525 PolarHBondContact O-N 3.13Å
526	G	46.8	Very low	48.9	Very low	21 Å²	21	71.1 Å²	71.1	22%	0.216	42%	0.418	C	S	.	.			trans	-118.9	17.1	-148.4	0	0	0	0	0	118	Y523	Y523-G526 VanDerWaalsContact CE1-O 3.25Å; Y523-G526 WeakPolarHBondContact CE1-O 3.42Å; Y523-G526 PolarHBondContact O-N 3.12Å
527	L	62	Low	51.1	Low	62 Å²	62	68.9 Å²	68.9	33%	0.325	40%	0.398	S	S	.	.	S	Bend	trans	-94.6	-46.1	161.6	-78.9	167.4	0	0	0	109.9	N292 G529 N530 D534	N292-L527 HydrophobicContact CB-CD2 4.01Å; L527-G529 PolarHBondContact O-N 3.45Å; L527-N530 WeakPolarHBondContact O-CB 3.36Å; L527-N530 PolarHBondContact O-N 3.12Å; L527-N530 PolarHBondContact O-ND2 3.02Å; L527-D534 HydrophobicContact CB-CB 4.21Å; L527-D534 HydrophobicContact CD1-CB 4.23Å
528	C	69.2	Low	53.3	Low	25 Å²	25	68 Å²	68	17%	0.169	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-29.1	118.9	167.5	-178.3	0	0	0	0	115.5	E537 C560	C528-E537 VanDerWaalsContact CA-OE1 3.26Å; C528-E537 WeakPolarHBondContact CA-OE1 3.31Å; C528-E537 VanDerWaalsContact CB-OE1 3.3Å; C528-E537 WeakPolarHBondContact CB-OE1 3.34Å; C528-E537 PolarHBondContact N-OE1 3.48Å; C528-C560 WeakPolarHBondContact CA-SG 3.49Å; C528-C560 HydrophobicContact CB-CB 3.65Å; C528-C560 WeakPolarHBondContact CB-SG 3.29Å; C528-C560 WeakPolarHBondContact SG-CB 3.39Å; C528-C560 PolarHBondContact SG-N 2.87Å; C528-C560 CovalentContact SG-SG 2.03Å; C528-C560 PolarHBondContact SG-SG 3.4Å
529	G	68.2	Low	55.6	Low	11 Å²	11	60 Å²	60	11%	0.113	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	4.8	-176.6	0	0	0	0	0	113.7	L527 D540 G542 T543	L527-G529 PolarHBondContact O-N 3.45Å; G529-D540 VanDerWaalsContact CA-OD1 3.29Å; G529-D540 WeakPolarHBondContact CA-OD1 3.36Å; G529-D540 WeakPolarHBondContact CA-OD2 3.2Å; G529-D540 PolarHBondContact N-OD1 3.25Å; G529-D540 PolarHBondContact N-OD2 2.98Å; G529-G542 VanDerWaalsContact CA-C 3.5Å; G529-G542 CarbonylContact O-C 3.4Å; G529-G542 WeakPolarHBondContact O-CA 3.04Å; G529-T543 WeakPolarHBondContact O-CG2 3.33Å; G529-T543 PolarHBondContact O-N 3.48Å
530	N	61.5	Low	57.7	Low	28 Å²	28	56.8 Å²	56.8	15%	0.15	32%	0.323	C	S	.	.	S	Bend	trans	-89.1	-16	179.7	77.9	46.8	0	0	0	113.8	A296 L527 V532 D534 D540	A296-N530 HydrophobicContact CB-CB 3.88Å; L527-N530 WeakPolarHBondContact O-CB 3.36Å; L527-N530 PolarHBondContact O-N 3.12Å; L527-N530 PolarHBondContact O-ND2 3.02Å; N530-V532 WeakPolarHBondContact OD1-CA 3.27Å; N530-V532 WeakPolarHBondContact OD1-CB 3.29Å; N530-V532 PolarHBondContact OD1-N 3.28Å; N530-V532 PolarHBondContact OD1-O 2.94Å; N530-D534 PolarHBondContact ND2-OD2 2.9Å; N530-D540 PolarHBondContact N-OD2 3.16Å
531	G	63.3	Low	59.7	Low	15 Å²	15	52.7 Å²	52.7	16%	0.155	30%	0.299	C	S	.	.	S	Bend	trans	87.9	9.2	177	0	0	0	0	0	115.8	F255 D540	F255-G531 PolarHBondContact N-O 3.18Å; F255-G531 VanDerWaalsContact N-O 3.14Å; G531-D540 PolarHBondContact N-OD1 3.39Å; G531-D540 PolarHBondContact N-OD2 3.39Å
532	V	58.6	Low	61.5	Low	23 Å²	23	45.9 Å²	45.9	14%	0.139	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-117.3	135.5	173.9	-174.6	0	0	0	0	108.1	V252 N530 D534 D540	V252-V532 HydrophobicContact CG1-CG1 4.09Å; N530-V532 WeakPolarHBondContact OD1-CA 3.27Å; N530-V532 WeakPolarHBondContact OD1-CB 3.29Å; N530-V532 PolarHBondContact OD1-N 3.28Å; N530-V532 PolarHBondContact OD1-O 2.94Å; V532-D534 PolarHBondContact O-N 3.4Å; V532-D540 WeakPolarHBondContact O-CB 3.37Å
533	L	65.7	Low	63	Low	41 Å²	41	40 Å²	40	22%	0.215	25%	0.245	C	C	.	.			trans	-72.6	93.8	179.6	-177.5	61.2	0	0	0	111.4	H253 E537	H253-L533 HydrophobicContact CB-CB 4.16Å; H253-L533 PolarHBondContact O-N 3.19Å; L533-E537 HydrophobicContact CD1-CB 4.24Å
534	D	59.5	Low	64.8	Low	20 Å²	20	39.9 Å²	39.9	11%	0.107	25%	0.248	C	C	.	.			trans	-82.5	155	-178.2	-97	-55.3	0	0	0	113.3	L527 N530 V532 G536 E537	L527-D534 HydrophobicContact CB-CB 4.21Å; L527-D534 HydrophobicContact CD1-CB 4.23Å; N530-D534 PolarHBondContact ND2-OD2 2.9Å; V532-D534 PolarHBondContact O-N 3.4Å; D534-G536 PolarHBondContact O-N 3.07Å; D534-E537 WeakPolarHBondContact O-CB 3.33Å; D534-E537 PolarHBondContact O-N 2.89Å; D534-E537 VanDerWaalsContact O-N 3.1Å
535	P	53.3	Low	66.1	Low	60 Å²	60	41.8 Å²	41.8	39%	0.39	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	115.9	-166.7	-20.3	35.3	0	0	0	113.9	W496 A500	W496-P535 HydrophobicContact CE3-CG 3.56Å; W496-P535 HydrophobicContact CZ3-CG 3.68Å; A500-P535 HydrophobicContact CB-CB 3.23Å; A500-P535 HydrophobicContact CB-CG 3.68Å
536	G	64.4	Low	67.3	Low	67 Å²	67	37.5 Å²	37.5	69%	0.691	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	114.9	-11.1	-173.1	0	0	0	0	0	112.8	D534	D534-G536 PolarHBondContact O-N 3.07Å
537	E	76.3	Confident	68.5	Low	42 Å²	42	36.7 Å²	36.7	20%	0.196	23%	0.227	C	C	.	.			trans	-92.6	157	171.4	-56.7	-178.7	175.6	0	0	110.5	C528 L533 D534 C560	C528-E537 VanDerWaalsContact CA-OE1 3.26Å; C528-E537 WeakPolarHBondContact CA-OE1 3.31Å; C528-E537 VanDerWaalsContact CB-OE1 3.3Å; C528-E537 WeakPolarHBondContact CB-OE1 3.34Å; C528-E537 PolarHBondContact N-OE1 3.48Å; L533-E537 HydrophobicContact CD1-CB 4.24Å; D534-E537 WeakPolarHBondContact O-CB 3.33Å; D534-E537 PolarHBondContact O-N 2.89Å; D534-E537 VanDerWaalsContact O-N 3.1Å; E537-C560 HydrophobicContact CB-CB 3.83Å; E537-C560 HydrophobicContact CG-CB 3.75Å; E537-C560 WeakPolarHBondContact OE2-CB 3.03Å
538	E	80.3	Confident	69	Low	78 Å²	78	35.2 Å²	35.2	36%	0.364	22%	0.221	S	C	.	.	S	Bend	trans	-106.5	-18.1	177.3	-59.5	164	-177.6	0	0	111.5	C560 R561 L562	E538-C560 PolarHBondContact N-O 2.82Å; E538-R561 WeakPolarHBondContact OE1-CD 3.46Å; E538-R561 IonicContact OE1-CZ 2.68Å; E538-R561 IonicContact OE1-NE 3.43Å; E538-R561 IonicContact OE1-NH1 3.49Å; E538-R561 PolarHBondContact OE1-NH1 3.41Å; E538-R561 WeakPolarHBondContact OE2-CA 3.02Å; E538-R561 VanDerWaalsContact OE2-CD 3.24Å; E538-R561 WeakPolarHBondContact OE2-CD 3.37Å; E538-L562 HydrophobicContact CB-CB 4.45Å; E538-L562 HydrophobicContact CB-CD1 3.98Å; E538-L562 HydrophobicContact CB-CG 3.82Å; E538-L562 PolarHBondContact OE2-N 2.94Å
539	C	81.9	Confident	69.4	Low	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.			trans	-167.2	142.8	176.5	58.7	0	0	0	0	110.6	F255 C555 C560 R561 L562 A569	F255-C539 HydrophobicContact CZ-CB 4.09Å; C539-C555 VanDerWaalsContact C-SG 3.55Å; C539-C555 HydrophobicContact CB-CB 3.85Å; C539-C555 WeakPolarHBondContact CB-SG 3.18Å; C539-C555 PolarHBondContact O-SG 2.81Å; C539-C555 WeakPolarHBondContact SG-CA 3.44Å; C539-C555 WeakPolarHBondContact SG-CB 3.42Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.5Å; C539-C560 PolarHBondContact N-O 3.34Å; C539-C560 CarbonylContact O-C 3.47Å; C539-C560 WeakPolarHBondContact O-CA 3.16Å; C539-C560 WeakPolarHBondContact O-CB 3.04Å; C539-C560 PolarHBondContact O-SG 3.08Å; C539-R561 PolarHBondContact SG-O 2.75Å; C539-L562 HydrophobicContact CB-CD2 4.09Å; C539-A569 HydrophobicContact CB-CB 3.25Å
540	D	78.3	Confident	69.8	Low	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.			trans	-134.8	106.6	164.4	-174.8	-9.6	0	0	0	109.9	F255 G529 N530 G531 V532 G542	F255-D540 WeakPolarHBondContact CD1-O 3.39Å; F255-D540 WeakPolarHBondContact CD2-O 3.37Å; F255-D540 VanDerWaalsContact CE2-O 3.27Å; F255-D540 WeakPolarHBondContact CE2-O 3.39Å; F255-D540 WeakPolarHBondContact CG-O 3.32Å; G529-D540 VanDerWaalsContact CA-OD1 3.29Å; G529-D540 WeakPolarHBondContact CA-OD1 3.36Å; G529-D540 WeakPolarHBondContact CA-OD2 3.2Å; G529-D540 PolarHBondContact N-OD1 3.25Å; G529-D540 PolarHBondContact N-OD2 2.98Å; N530-D540 PolarHBondContact N-OD2 3.16Å; G531-D540 PolarHBondContact N-OD1 3.39Å; G531-D540 PolarHBondContact N-OD2 3.39Å; V532-D540 WeakPolarHBondContact O-CB 3.37Å; D540-G542 WeakPolarHBondContact OD1-CA 3.4Å; D540-G542 PolarHBondContact OD1-N 2.87Å
541	C	76.5	Confident	70.6	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.054	26%	0.255	C	S	.	.			trans	-93.6	8.7	179.1	62.8	0	0	0	0	114.2	F255 C547 W551	F255-C541 HydrophobicContact CD1-CB 3.77Å; F255-C541 HydrophobicContact CE1-CB 3.99Å; C541-C547 HydrophobicContact CB-CB 3.9Å; C541-C547 WeakPolarHBondContact CB-SG 3.39Å; C541-C547 WeakPolarHBondContact O-CA 3.32Å; C541-C547 VanDerWaalsContact O-CB 3.24Å; C541-C547 WeakPolarHBondContact O-CB 3.11Å; C541-C547 WeakPolarHBondContact SG-CB 3.47Å; C541-C547 CovalentContact SG-SG 2.04Å; C541-C547 PolarHBondContact SG-SG 3.42Å; C541-W551 HydrophobicContact CB-CB 4.12Å
542	G	69.2	Low	71.6	Confident	4 Å²	4	45.9 Å²	45.9	4%	0.041	26%	0.256	C	S	.	.			trans	95.9	173.2	-165.7	0	0	0	0	0	112.4	G529 D540 C547 P557	G529-G542 VanDerWaalsContact CA-C 3.5Å; G529-G542 CarbonylContact O-C 3.4Å; G529-G542 WeakPolarHBondContact O-CA 3.04Å; D540-G542 WeakPolarHBondContact OD1-CA 3.4Å; D540-G542 PolarHBondContact OD1-N 2.87Å; G542-C547 WeakPolarHBondContact O-CB 3.48Å; G542-P557 WeakPolarHBondContact O-CB 3.29Å
543	T	69.4	Low	72.6	Confident	36 Å²	36	46.1 Å²	46.1	22%	0.221	26%	0.261	C	S	.	.	S	Bend	trans	-57.4	165.2	-179.7	71.8	0	0	0	0	112.7	G529 T545 S546 C547	G529-T543 WeakPolarHBondContact O-CG2 3.33Å; G529-T543 PolarHBondContact O-N 3.48Å; T543-T545 PolarHBondContact O-N 2.96Å; T543-T545 PolarHBondContact OG1-N 3.31Å; T543-T545 PolarHBondContact OG1-OG1 3.47Å; T543-T545 VanDerWaalsContact OG1-OG1 3.04Å; T543-S546 PolarHBondContact N-OG 3.27Å; T543-S546 PolarHBondContact O-N 3.32Å; T543-S546 VanDerWaalsContact O-N 3.08Å; T543-S546 PolarHBondContact OG1-N 3.35Å; T543-S546 VanDerWaalsContact OG1-N 3.09Å; T543-S546 PolarHBondContact OG1-OG 2.97Å; T543-C547 VanDerWaalsContact O-CB 3.23Å; T543-C547 WeakPolarHBondContact O-CB 3.28Å; T543-C547 PolarHBondContact O-N 3.49Å
544	Q	75.7	Confident	73.8	Confident	88 Å²	88	44.2 Å²	44.2	41%	0.411	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-21.3	175.4	-175.1	58.8	91.4	0	0	114.4	Q552 P557 V558	Q544-Q552 PolarHBondContact O-NE2 3.27Å; Q544-Q552 VanDerWaalsContact O-NE2 3.09Å; Q544-P557 HydrophobicContact CB-CG 4.42Å; Q544-V558 HydrophobicContact CB-CG2 4.39Å
545	T	67.9	Low	75.1	Confident	124 Å²	124	43.2 Å²	43.2	76%	0.761	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-36.8	174	46.6	0	0	0	0	114.1	T543	T543-T545 PolarHBondContact O-N 2.96Å; T543-T545 PolarHBondContact OG1-N 3.31Å; T543-T545 PolarHBondContact OG1-OG1 3.47Å; T543-T545 VanDerWaalsContact OG1-OG1 3.04Å
546	S	64.9	Low	76.8	Confident	35 Å²	35	41 Å²	41	25%	0.245	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-22.3	-176.8	74.6	0	0	0	0	114.1	R257 T543	R257-S546 PolarHBondContact NH2-O 3.46Å; R257-S546 VanDerWaalsContact NH2-O 3.07Å; T543-S546 PolarHBondContact N-OG 3.27Å; T543-S546 PolarHBondContact O-N 3.32Å; T543-S546 VanDerWaalsContact O-N 3.08Å; T543-S546 PolarHBondContact OG1-N 3.35Å; T543-S546 VanDerWaalsContact OG1-N 3.09Å; T543-S546 PolarHBondContact OG1-OG 2.97Å
547	C	72.5	Confident	77.6	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.02	20%	0.199	C	C	.	.	S	Bend	trans	-68.6	123.9	175	172.1	0	0	0	0	111.8	C541 G542 T543 K549 Q552 P557	C541-C547 HydrophobicContact CB-CB 3.9Å; C541-C547 WeakPolarHBondContact CB-SG 3.39Å; C541-C547 WeakPolarHBondContact O-CA 3.32Å; C541-C547 VanDerWaalsContact O-CB 3.24Å; C541-C547 WeakPolarHBondContact O-CB 3.11Å; C541-C547 WeakPolarHBondContact SG-CB 3.47Å; C541-C547 CovalentContact SG-SG 2.04Å; C541-C547 PolarHBondContact SG-SG 3.42Å; G542-C547 WeakPolarHBondContact O-CB 3.48Å; T543-C547 VanDerWaalsContact O-CB 3.23Å; T543-C547 WeakPolarHBondContact O-CB 3.28Å; T543-C547 PolarHBondContact O-N 3.49Å; C547-K549 PolarHBondContact O-N 3.25Å; C547-Q552 HydrophobicContact CB-CG 4.16Å; C547-Q552 PolarHBondContact O-NE2 2.87Å; C547-Q552 WeakPolarHBondContact SG-CG 3.2Å; C547-P557 HydrophobicContact CB-CB 4.24Å
548	P	72.3	Confident	77.9	Confident	31 Å²	31	40.5 Å²	40.5	20%	0.201	22%	0.216	C	C	.	.			trans	-56.6	133.2	178.5	-25.9	34.7	0	0	0	112.4	R257 K550 W551 Q552	R257-P548 HydrophobicContact CG-CG 4.09Å; P548-K550 HydrophobicContact CB-CG 4.36Å; P548-K550 PolarHBondContact O-N 3.3Å; P548-W551 PolarHBondContact O-N 3.24Å; P548-Q552 PolarHBondContact O-N 3.08Å
549	K	77.2	Confident	78	Confident	187 Å²	187	45.2 Å²	45.2	81%	0.813	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-30.6	-177.4	-71.2	-174.5	176.6	-178.9	0	114.3	C547	C547-K549 PolarHBondContact O-N 3.25Å
550	K	77.1	Confident	78	Confident	69 Å²	69	45.2 Å²	45.2	30%	0.3	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-34.5	176.7	71.5	-176.2	-177	-173.6	0	113.4	D259 P548 I576	D259-K550 IonicContact OD1-NZ 3.31Å; D259-K550 PolarHBondContact OD1-NZ 3.33Å; D259-K550 WeakPolarHBondContact OD2-CE 3.43Å; D259-K550 IonicContact OD2-NZ 2.7Å; D259-K550 PolarHBondContact OD2-NZ 3.02Å; P548-K550 HydrophobicContact CB-CG 4.36Å; P548-K550 PolarHBondContact O-N 3.3Å; K550-I576 HydrophobicContact CB-CD1 3.67Å; K550-I576 HydrophobicContact CD-CD1 4.04Å; K550-I576 HydrophobicContact CG-CD1 3.74Å
551	W	79.5	Confident	78.4	Confident	9 Å²	9	51.2 Å²	51.2	3%	0.034	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-82.8	-25.6	175.9	-63.2	138.1	0	0	0	112.9	P258 C541 P548 A553 C554 C555 C574 I576	P258-W551 HydrophobicContact CG-CZ2 3.58Å; C541-W551 HydrophobicContact CB-CB 4.12Å; P548-W551 PolarHBondContact O-N 3.24Å; W551-A553 PolarHBondContact O-N 3.49Å; W551-C554 PolarHBondContact O-N 3.35Å; W551-C555 PolarHBondContact O-N 2.81Å; W551-C574 HydrophobicContact CH2-CB 4.22Å; W551-C574 HydrophobicContact CZ3-CB 4.41Å; W551-I576 HydrophobicContact CD2-CD1 4.2Å; W551-I576 HydrophobicContact CE3-CD1 3.64Å; W551-I576 HydrophobicContact CE3-CG1 3.68Å; W551-I576 HydrophobicContact CH2-CD1 4.28Å; W551-I576 HydrophobicContact CH2-CG1 4.15Å; W551-I576 HydrophobicContact CZ3-CD1 3.7Å; W551-I576 HydrophobicContact CZ3-CG1 3.37Å
552	Q	82.7	Confident	79	Confident	39 Å²	39	53 Å²	53	18%	0.182	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.5	-12.1	171.5	-60.4	-171.4	13.2	0	0	114	Q544 C547 P548 C555 P557 R563	Q544-Q552 PolarHBondContact O-NE2 3.27Å; Q544-Q552 VanDerWaalsContact O-NE2 3.09Å; C547-Q552 HydrophobicContact CB-CG 4.16Å; C547-Q552 PolarHBondContact O-NE2 2.87Å; C547-Q552 WeakPolarHBondContact SG-CG 3.2Å; P548-Q552 PolarHBondContact O-N 3.08Å; Q552-C555 CarbonylContact C-O 3.45Å; Q552-P557 HydrophobicContact CG-CG 4.3Å; Q552-R563 WeakPolarHBondContact O-CD 3.49Å; Q552-R563 PolarHBondContact O-NH1 3.15Å
553	A	81	Confident	79.8	Confident	28 Å²	28	57.5 Å²	57.5	23%	0.231	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-81.4	-25.5	172.3	0	0	0	0	0	112.8	W551 R563 F591	W551-A553 PolarHBondContact O-N 3.49Å; A553-R563 WeakPolarHBondContact O-CB 3.38Å; A553-F591 HydrophobicContact CB-CB 3.85Å; A553-F591 HydrophobicContact CB-CD2 4.33Å; A553-F591 HydrophobicContact CB-CG 4.36Å
554	C	89.1	Confident	80.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-26.4	-177.8	-58.2	0	0	0	0	113.6	W551 L562 R563 C593	W551-C554 PolarHBondContact O-N 3.35Å; C554-L562 CarbonylContact O-C 3.58Å; C554-L562 WeakPolarHBondContact O-CA 3.3Å; C554-R563 PolarHBondContact O-N 3.26Å; C554-C593 HydrophobicContact CB-CB 3.57Å; C554-C593 WeakPolarHBondContact CB-SG 3.21Å; C554-C593 WeakPolarHBondContact SG-CB 3.34Å; C554-C593 PolarHBondContact SG-N 3.38Å; C554-C593 CovalentContact SG-SG 2.02Å; C554-C593 PolarHBondContact SG-SG 2.99Å
555	C	88.1	Confident	80.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147	174.6	-165.3	0	0	0	0	111.2	C539 W551 Q552 P557 R563 A569	C539-C555 VanDerWaalsContact C-SG 3.55Å; C539-C555 HydrophobicContact CB-CB 3.85Å; C539-C555 WeakPolarHBondContact CB-SG 3.18Å; C539-C555 PolarHBondContact O-SG 2.81Å; C539-C555 WeakPolarHBondContact SG-CA 3.44Å; C539-C555 WeakPolarHBondContact SG-CB 3.42Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.5Å; W551-C555 PolarHBondContact O-N 2.81Å; Q552-C555 CarbonylContact C-O 3.45Å; C555-P557 VanDerWaalsContact O-CD 3.26Å; C555-P557 WeakPolarHBondContact O-CD 3.43Å; C555-R563 WeakPolarHBondContact O-CD 3.39Å; C555-A569 HydrophobicContact CB-CB 3.93Å
556	D	88.3	Confident	81.7	Confident	13 Å²	13	56.6 Å²	56.6	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	93.7	172.1	-165.4	23.3	0	0	0	110.1	V558 R559 C560 R561 R563	D556-V558 PolarHBondContact O-N 2.83Å; D556-R559 HydrophobicContact CB-CB 4.37Å; D556-R559 PolarHBondContact O-N 2.03Å; D556-R559 VanDerWaalsContact OD2-CD 3.25Å; D556-R559 WeakPolarHBondContact OD2-CD 3.44Å; D556-R559 WeakPolarHBondContact OD2-CG 3.45Å; D556-R559 IonicContact OD2-CZ 2.73Å; D556-R559 IonicContact OD2-NE 2.72Å; D556-R559 IonicContact OD2-NH1 3.62Å; D556-R559 PolarHBondContact OD2-NH1 2.83Å; D556-C560 PolarHBondContact O-N 3.34Å; D556-R561 WeakPolarHBondContact CB-O 3.47Å; D556-R561 PolarHBondContact N-O 3.16Å; D556-R563 HydrophobicContact CB-CG 3.99Å; D556-R563 IonicContact OD1-CZ 3.79Å; D556-R563 IonicContact OD1-NE 2.69Å; D556-R563 PolarHBondContact OD1-NE 3.06Å; D556-R563 IonicContact OD1-NH2 3.39Å; D556-R563 PolarHBondContact OD1-NH2 3.11Å
557	P	80.7	Confident	82.8	Confident	6 Å²	6	60 Å²	60	4%	0.039	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	16	-169.7	33.5	-40.3	0	0	0	114.9	G542 Q544 C547 Q552 C555	G542-P557 WeakPolarHBondContact O-CB 3.29Å; Q544-P557 HydrophobicContact CB-CG 4.42Å; C547-P557 HydrophobicContact CB-CB 4.24Å; Q552-P557 HydrophobicContact CG-CG 4.3Å; C555-P557 VanDerWaalsContact O-CD 3.26Å; C555-P557 WeakPolarHBondContact O-CD 3.43Å
558	V	82.6	Confident	83.5	Confident	92 Å²	92	60 Å²	60	56%	0.558	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-13.1	172.6	-176.5	0	0	0	0	111.1	Q544 D556	Q544-V558 HydrophobicContact CB-CG2 4.39Å; D556-V558 PolarHBondContact O-N 2.83Å
559	R	82.8	Confident	83.8	Confident	178 Å²	178	58.5 Å²	58.5	67%	0.672	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-14.8	-177.6	-60.3	-169.1	-178.1	110.2	-9.4	114.3	D556 R561	D556-R559 HydrophobicContact CB-CB 4.37Å; D556-R559 PolarHBondContact O-N 2.03Å; D556-R559 VanDerWaalsContact OD2-CD 3.25Å; D556-R559 WeakPolarHBondContact OD2-CD 3.44Å; D556-R559 WeakPolarHBondContact OD2-CG 3.45Å; D556-R559 IonicContact OD2-CZ 2.73Å; D556-R559 IonicContact OD2-NE 2.72Å; D556-R559 IonicContact OD2-NH1 3.62Å; D556-R559 PolarHBondContact OD2-NH1 2.83Å; R559-R561 VanDerWaalsContact C-N 3.27Å; R559-R561 HydrophobicContact CB-CB 4.28Å; R559-R561 HydrophobicContact CB-CG 4.05Å; R559-R561 PolarHBondContact O-N 2.86Å
560	C	82	Confident	83.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	47.1	-175.9	-67.4	0	0	0	0	112.4	C528 E537 E538 C539 D556	C528-C560 WeakPolarHBondContact CA-SG 3.49Å; C528-C560 HydrophobicContact CB-CB 3.65Å; C528-C560 WeakPolarHBondContact CB-SG 3.29Å; C528-C560 WeakPolarHBondContact SG-CB 3.39Å; C528-C560 PolarHBondContact SG-N 2.87Å; C528-C560 CovalentContact SG-SG 2.03Å; C528-C560 PolarHBondContact SG-SG 3.4Å; E537-C560 HydrophobicContact CB-CB 3.83Å; E537-C560 HydrophobicContact CG-CB 3.75Å; E537-C560 WeakPolarHBondContact OE2-CB 3.03Å; E538-C560 PolarHBondContact N-O 2.82Å; C539-C560 PolarHBondContact N-O 3.34Å; C539-C560 CarbonylContact O-C 3.47Å; C539-C560 WeakPolarHBondContact O-CA 3.16Å; C539-C560 WeakPolarHBondContact O-CB 3.04Å; C539-C560 PolarHBondContact O-SG 3.08Å; D556-C560 PolarHBondContact O-N 3.34Å
561	R	87.8	Confident	83.5	Confident	125 Å²	125	46.6 Å²	46.6	47%	0.472	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	145.7	-179.9	-70.9	-67.4	-179.9	143.4	-1.7	110.6	E538 C539 D556 R559	E538-R561 WeakPolarHBondContact OE1-CD 3.46Å; E538-R561 IonicContact OE1-CZ 2.68Å; E538-R561 IonicContact OE1-NE 3.43Å; E538-R561 IonicContact OE1-NH1 3.49Å; E538-R561 PolarHBondContact OE1-NH1 3.41Å; E538-R561 WeakPolarHBondContact OE2-CA 3.02Å; E538-R561 VanDerWaalsContact OE2-CD 3.24Å; E538-R561 WeakPolarHBondContact OE2-CD 3.37Å; C539-R561 PolarHBondContact SG-O 2.75Å; D556-R561 WeakPolarHBondContact CB-O 3.47Å; D556-R561 PolarHBondContact N-O 3.16Å; R559-R561 VanDerWaalsContact C-N 3.27Å; R559-R561 HydrophobicContact CB-CB 4.28Å; R559-R561 HydrophobicContact CB-CG 4.05Å; R559-R561 PolarHBondContact O-N 2.86Å
562	L	87.5	Confident	83.2	Confident	47 Å²	47	48 Å²	48	25%	0.246	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.8	176.2	-72.1	166.2	0	0	0	110.3	E538 C539 C554 C568 A569	E538-L562 HydrophobicContact CB-CB 4.45Å; E538-L562 HydrophobicContact CB-CD1 3.98Å; E538-L562 HydrophobicContact CB-CG 3.82Å; E538-L562 PolarHBondContact OE2-N 2.94Å; C539-L562 HydrophobicContact CB-CD2 4.09Å; C554-L562 CarbonylContact O-C 3.58Å; C554-L562 WeakPolarHBondContact O-CA 3.3Å; L562-C568 WeakPolarHBondContact CD2-O 3.38Å; L562-A569 HydrophobicContact CD2-CB 3.81Å
563	R	87.8	Confident	83.4	Confident	98 Å²	98	46.1 Å²	46.1	37%	0.37	24%	0.242	S	C	.	.			trans	-91.8	127.6	-179.9	-74.1	-177.6	165.5	-168.1	-4.8	110.7	Q552 A553 C554 C555 D556 S566	Q552-R563 WeakPolarHBondContact O-CD 3.49Å; Q552-R563 PolarHBondContact O-NH1 3.15Å; A553-R563 WeakPolarHBondContact O-CB 3.38Å; C554-R563 PolarHBondContact O-N 3.26Å; C555-R563 WeakPolarHBondContact O-CD 3.39Å; D556-R563 HydrophobicContact CB-CG 3.99Å; D556-R563 IonicContact OD1-CZ 3.79Å; D556-R563 IonicContact OD1-NE 2.69Å; D556-R563 PolarHBondContact OD1-NE 3.06Å; D556-R563 IonicContact OD1-NH2 3.39Å; D556-R563 PolarHBondContact OD1-NH2 3.11Å; R563-S566 VanDerWaalsContact O-CB 3.32Å; R563-S566 WeakPolarHBondContact O-CB 3.15Å; R563-S566 PolarHBondContact O-N 3.44Å; R563-S566 PolarHBondContact O-OG 2.77Å
564	G	81.2	Confident	83.7	Confident	70 Å²	70	45 Å²	45	72%	0.722	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-138.5	179.7	0	0	0	0	0	112.3	S566	G564-S566 PolarHBondContact O-N 2.91Å
565	N	81.4	Confident	83.7	Confident	146 Å²	146	48.5 Å²	48.5	78%	0.781	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	36.1	-179.1	-61.9	7.1	0	0	0	112
566	S	88.6	Confident	83.5	Confident	12 Å²	12	51.1 Å²	51.1	8%	0.084	26%	0.264	C	S	.	.			trans	-75	137.2	179.7	-63.6	0	0	0	0	111.1	R563 G564 C593	R563-S566 VanDerWaalsContact O-CB 3.32Å; R563-S566 WeakPolarHBondContact O-CB 3.15Å; R563-S566 PolarHBondContact O-N 3.44Å; R563-S566 PolarHBondContact O-OG 2.77Å; G564-S566 PolarHBondContact O-N 2.91Å; S566-C593 CarbonylContact C-O 3.47Å; S566-C593 VanDerWaalsContact CA-O 3.26Å; S566-C593 WeakPolarHBondContact CA-O 3.48Å; S566-C593 PolarHBondContact OG-N 3.12Å
567	Q	89	Confident	83.3	Confident	107 Å²	107	53.3 Å²	53.3	50%	0.5	28%	0.275	S	S	.	.	S	Bend	trans	-100.7	-10.2	179.2	-58.1	-175.5	-64.3	0	0	113.6	C593 K594 L595	Q567-C593 PolarHBondContact N-O 2.68Å; Q567-K594 HydrophobicContact CG-CG 4.45Å; Q567-L595 HydrophobicContact CB-CG 4.15Å
568	C	86.6	Confident	83.1	Confident	3 Å²	3	58 Å²	58	2%	0.02	30%	0.295	C	S	.	.			trans	-160.3	172.8	-175.9	59.5	0	0	0	0	108.4	L562 C574 C593 K594 L595 Q620	L562-C568 WeakPolarHBondContact CD2-O 3.38Å; C568-C574 VanDerWaalsContact C-SG 3.54Å; C568-C574 HydrophobicContact CB-CB 3.8Å; C568-C574 WeakPolarHBondContact CB-SG 3.39Å; C568-C574 VanDerWaalsContact SG-CA 3.52Å; C568-C574 WeakPolarHBondContact SG-CB 3.17Å; C568-C574 CovalentContact SG-SG 2.04Å; C568-C574 PolarHBondContact SG-SG 2.8Å; C568-C593 WeakPolarHBondContact O-CB 2.98Å; C568-K594 PolarHBondContact SG-O 3.43Å; C568-L595 HydrophobicContact CB-CD2 3.74Å; C568-L595 HydrophobicContact CB-CG 4.48Å; C568-Q620 HydrophobicContact CB-CB 3.6Å; C568-Q620 HydrophobicContact CB-CG 4.49Å; C568-Q620 VanDerWaalsContact CB-OE1 3.26Å
569	A	79	Confident	82.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-140.4	-5.2	-179.8	0	0	0	0	0	114.9	F255 C539 C555 L562	F255-A569 VanDerWaalsContact CE1-C 3.5Å; F255-A569 HydrophobicContact CE1-CB 3.75Å; F255-A569 WeakPolarHBondContact CE1-O 3.21Å; F255-A569 HydrophobicContact CZ-CB 3.92Å; C539-A569 HydrophobicContact CB-CB 3.25Å; C555-A569 HydrophobicContact CB-CB 3.93Å; L562-A569 HydrophobicContact CD2-CB 3.81Å
570	G	76	Confident	81.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	-174.6	-176.8	-177.1	0	0	0	0	0	111.7	C574 Q620	G570-C574 WeakPolarHBondContact O-CB 3.43Å; G570-Q620 WeakPolarHBondContact O-CB 3.42Å; G570-Q620 VanDerWaalsContact O-CD 3.31Å; G570-Q620 WeakPolarHBondContact O-CG 3.39Å; G570-Q620 PolarHBondContact O-OE1 3.37Å
571	G	71.1	Confident	79.9	Confident	6 Å²	6	60.5 Å²	60.5	6%	0.062	32%	0.318	C	S	.	.	S	Bend	trans	83.6	164.9	-178.6	0	0	0	0	0	114.2	C573 C574 Q620	G571-C573 VanDerWaalsContact C-N 3.25Å; G571-C573 PolarHBondContact O-N 2.72Å; G571-C574 PolarHBondContact O-N 2.89Å; G571-Q620 CarbonylContact C-O 3.53Å
572	P	74	Confident	77.9	Confident	38 Å²	38	62.1 Å²	62.1	25%	0.247	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.9	-171.5	30.6	-37.3	0	0	0	113.5	K596 C602 C622	P572-K596 WeakPolarHBondContact O-CD 3.4Å; P572-K596 WeakPolarHBondContact O-CE 3.34Å; P572-K596 PolarHBondContact O-NZ 2.7Å; P572-C602 HydrophobicContact CB-CB 3.99Å; P572-C602 HydrophobicContact CG-CB 4.21Å; P572-C622 HydrophobicContact CG-CB 3.99Å
573	C	86.4	Confident	75.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	20.2	176.1	-66.3	0	0	0	0	114	G571 L595 K596 C602 C615 S619 Q620 W621	G571-C573 VanDerWaalsContact C-N 3.25Å; G571-C573 PolarHBondContact O-N 2.72Å; C573-L595 WeakPolarHBondContact O-CA 3.41Å; C573-K596 PolarHBondContact O-N 2.79Å; C573-C602 WeakPolarHBondContact SG-CB 3.47Å; C573-C615 WeakPolarHBondContact CA-SG 3.48Å; C573-C615 HydrophobicContact CB-CB 3.8Å; C573-C615 WeakPolarHBondContact CB-SG 3.13Å; C573-C615 WeakPolarHBondContact SG-CA 3.5Å; C573-C615 WeakPolarHBondContact SG-CB 3.36Å; C573-C615 CovalentContact SG-SG 2.03Å; C573-C615 PolarHBondContact SG-SG 2.79Å; C573-S619 WeakPolarHBondContact CB-O 3.46Å; C573-Q620 WeakPolarHBondContact CA-O 3.38Å; C573-Q620 WeakPolarHBondContact CB-O 3.37Å; C573-Q620 PolarHBondContact N-O 3.5Å; C573-W621 PolarHBondContact SG-O 3.17Å
574	C	88.1	Confident	73.7	Confident	5 Å²	5	69 Å²	69	3%	0.034	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.7	172.8	-167.6	0	0	0	0	111.2	W551 C568 G570 G571 Q620	W551-C574 HydrophobicContact CH2-CB 4.22Å; W551-C574 HydrophobicContact CZ3-CB 4.41Å; C568-C574 VanDerWaalsContact C-SG 3.54Å; C568-C574 HydrophobicContact CB-CB 3.8Å; C568-C574 WeakPolarHBondContact CB-SG 3.39Å; C568-C574 VanDerWaalsContact SG-CA 3.52Å; C568-C574 WeakPolarHBondContact SG-CB 3.17Å; C568-C574 CovalentContact SG-SG 2.04Å; C568-C574 PolarHBondContact SG-SG 2.8Å; G570-C574 WeakPolarHBondContact O-CB 3.43Å; G571-C574 PolarHBondContact O-N 2.89Å; C574-Q620 HydrophobicContact CB-CB 4.3Å
575	D	88.1	Confident	72.2	Confident	73 Å²	73	71.6 Å²	71.6	39%	0.39	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.5	172.3	-86.7	-26.4	0	0	0	111.1	I577 C593 K594 K596	D575-I577 PolarHBondContact O-N 2.89Å; D575-C593 CarbonylContact O-C 3.55Å; D575-C593 VanDerWaalsContact O-CA 3.29Å; D575-C593 WeakPolarHBondContact O-CA 3.44Å; D575-K594 PolarHBondContact N-O 3.15Å; D575-K594 PolarHBondContact O-N 3.17Å; D575-K596 HydrophobicContact CB-CG 4.38Å; D575-K596 WeakPolarHBondContact OD1-CE 3.44Å; D575-K596 IonicContact OD1-NZ 2.68Å; D575-K596 WeakPolarHBondContact OD2-CE 3.42Å; D575-K596 WeakPolarHBondContact OD2-CG 3.34Å
576	I	84.7	Confident	70.8	Confident	55 Å²	55	72.2 Å²	72.2	28%	0.282	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.4	172.4	-55.2	166.4	0	0	0	108	K550 W551 F591	K550-I576 HydrophobicContact CB-CD1 3.67Å; K550-I576 HydrophobicContact CD-CD1 4.04Å; K550-I576 HydrophobicContact CG-CD1 3.74Å; W551-I576 HydrophobicContact CD2-CD1 4.2Å; W551-I576 HydrophobicContact CE3-CD1 3.64Å; W551-I576 HydrophobicContact CE3-CG1 3.68Å; W551-I576 HydrophobicContact CH2-CD1 4.28Å; W551-I576 HydrophobicContact CH2-CG1 4.15Å; W551-I576 HydrophobicContact CZ3-CD1 3.7Å; W551-I576 HydrophobicContact CZ3-CG1 3.37Å; I576-F591 HydrophobicContact CG2-CB 4.07Å; I576-F591 HydrophobicContact CG2-CD1 3.95Å; I576-F591 HydrophobicContact CG2-CG 4.37Å
577	I	84	Confident	68.9	Low	58 Å²	58	79.5 Å²	79.5	30%	0.297	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.2	177.5	-55.2	-178.6	0	0	0	109.2	D575 K579 F591 Y592 K594	D575-I577 PolarHBondContact O-N 2.89Å; I577-K579 PolarHBondContact O-N 3.32Å; I577-F591 VanDerWaalsContact O-CA 3.31Å; I577-F591 WeakPolarHBondContact O-CA 3.22Å; I577-Y592 WeakPolarHBondContact CA-O 3.45Å; I577-Y592 HydrophobicContact CB-CD1 4.43Å; I577-Y592 HydrophobicContact CB-CE1 3.99Å; I577-Y592 HydrophobicContact CB-CE2 4.18Å; I577-Y592 WeakPolarHBondContact CB-O 3.44Å; I577-Y592 HydrophobicContact CD1-CE2 4.07Å; I577-Y592 HydrophobicContact CG2-CE1 3.79Å; I577-Y592 HydrophobicContact CG2-CE2 4.5Å; I577-Y592 PolarHBondContact N-O 2.74Å; I577-Y592 PolarHBondContact O-N 2.8Å; I577-K594 HydrophobicContact CD1-CB 3.87Å; I577-K594 HydrophobicContact CD1-CD 3.97Å; I577-K594 HydrophobicContact CD1-CG 4.02Å
578	K	77.6	Confident	67.2	Low	105 Å²	105	80.1 Å²	80.1	46%	0.457	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.7	166.1	-171	176.9	175	-120	0	108.4	D580 F591	K578-D580 VanDerWaalsContact C-N 3.34Å; K578-D580 WeakPolarHBondContact CE-OD1 3.49Å; K578-D580 IonicContact NZ-OD1 3.56Å; K578-D580 PolarHBondContact NZ-OD1 3.09Å; K578-D580 PolarHBondContact O-N 2.81Å; K578-D580 VanDerWaalsContact O-N 3.09Å; K578-F591 HydrophobicContact CB-CD1 3.74Å; K578-F591 HydrophobicContact CB-CE1 3.66Å; K578-F591 HydrophobicContact CD-CE1 3.98Å; K578-F591 HydrophobicContact CD-CZ 4.29Å; K578-F591 HydrophobicContact CG-CD1 4.02Å; K578-F591 HydrophobicContact CG-CE1 3.61Å; K578-F591 HydrophobicContact CG-CZ 4.1Å
579	K	68.6	Low	65.8	Low	128 Å²	128	82.3 Å²	82.3	56%	0.557	45%	0.447	S	S	*	.			trans	-80.4	87.6	172.4	-168.3	-175.1	179.8	-171.5	0	107.5	I577 S581 S590 Y592	I577-K579 PolarHBondContact O-N 3.32Å; K579-S581 PolarHBondContact O-N 3Å; K579-S590 WeakPolarHBondContact CA-O 3.35Å; K579-S590 WeakPolarHBondContact CB-O 3.06Å; K579-S590 PolarHBondContact N-O 3.39Å; K579-Y592 HydrophobicContact CB-CD1 4.14Å; K579-Y592 HydrophobicContact CB-CE1 4.03Å; K579-Y592 HydrophobicContact CG-CE1 4.4Å
580	D	60.6	Low	65.2	Low	118 Å²	118	85.5 Å²	85.5	63%	0.631	47%	0.469	S	S	*	.			trans	-62	107.3	174.8	-73.6	-40.5	0	0	0	109.3	K578 L582	K578-D580 VanDerWaalsContact C-N 3.34Å; K578-D580 WeakPolarHBondContact CE-OD1 3.49Å; K578-D580 IonicContact NZ-OD1 3.56Å; K578-D580 PolarHBondContact NZ-OD1 3.09Å; K578-D580 PolarHBondContact O-N 2.81Å; K578-D580 VanDerWaalsContact O-N 3.09Å; D580-L582 PolarHBondContact O-N 2.65Å
581	S	50.6	Low	65.2	Low	76 Å²	76	89.3 Å²	89.3	53%	0.531	49%	0.486	S	S	.	.			trans	-77.6	87.3	-177.1	51.9	0	0	0	0	109.7	K579 E583	K579-S581 PolarHBondContact O-N 3Å; S581-E583 PolarHBondContact O-N 3.2Å
582	L	46.1	Very low	65.8	Low	160 Å²	160	92 Å²	92	84%	0.838	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	121	152	-167.2	75.3	0	0	0	107.1	D580	D580-L582 PolarHBondContact O-N 2.65Å
583	E	43.6	Very low	66.5	Low	166 Å²	166	90.2 Å²	90.2	78%	0.776	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	78.4	178.7	-63.4	173.7	-171.6	0	0	115.6	S581	S581-E583 PolarHBondContact O-N 3.2Å
584	N	43.3	Very low	66.8	Low	123 Å²	123	94.5 Å²	94.5	66%	0.658	50%	0.501	S	S	*	.				-177.3	139.8	108.6	-98.9	-74.4	0	0	0	112.4
585	V	49.4	Very low	66.9	Low	124 Å²	124	96 Å²	96	75%	0.752	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	147.3	173.4	-174.9	0	0	0	0	109.3
586	N	51.1	Low	66.9	Low	160 Å²	160	94.6 Å²	94.6	86%	0.856	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	20.9	-179.4	-50.3	-38.1	0	0	0	118.2
587	Q	50	Low	67.1	Low	165 Å²	165	96.2 Å²	96.2	77%	0.771	51%	0.513	S	S	*	.	S	Bend	trans	-114.7	132.7	162.3	-67.8	-169.5	6.5	0	0	111.7	A589	Q587-A589 PolarHBondContact O-N 3.41Å
588	S	51.7	Low	67.3	Low	120 Å²	120	95.6 Å²	95.6	84%	0.839	51%	0.514	S	S	*	.			trans	-57.5	133.6	172.7	-63.9	0	0	0	0	110.3	S590	S588-S590 PolarHBondContact O-N 3.5Å
589	A	58.6	Low	67.6	Low	49 Å²	49	90.6 Å²	90.6	41%	0.405	49%	0.492	S	S	.	.			trans	-50.7	113.6	-177.1	0	0	0	0	0	111.2	Q587 F591	Q587-A589 PolarHBondContact O-N 3.41Å; A589-F591 HydrophobicContact CB-CE2 3.88Å; A589-F591 HydrophobicContact CB-CZ 4.24Å; A589-F591 WeakPolarHBondContact O-CD2 3.32Å; A589-F591 VanDerWaalsContact O-CE2 3.31Å; A589-F591 WeakPolarHBondContact O-CE2 3.34Å
590	S	66.1	Low	68.5	Low	66 Å²	66	86.4 Å²	86.4	46%	0.462	48%	0.478	S	S	.	.			trans	-76.6	124.3	177.5	178	0	0	0	0	108.4	K579 S588	K579-S590 WeakPolarHBondContact CA-O 3.35Å; K579-S590 WeakPolarHBondContact CB-O 3.06Å; K579-S590 PolarHBondContact N-O 3.39Å; S588-S590 PolarHBondContact O-N 3.5Å
591	F	76.6	Confident	69.7	Low	81 Å²	81	84.4 Å²	84.4	36%	0.355	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	152.5	169.2	-55.7	-103.1	0	0	0	108.7	A553 I576 I577 K578 A589	A553-F591 HydrophobicContact CB-CB 3.85Å; A553-F591 HydrophobicContact CB-CD2 4.33Å; A553-F591 HydrophobicContact CB-CG 4.36Å; I576-F591 HydrophobicContact CG2-CB 4.07Å; I576-F591 HydrophobicContact CG2-CD1 3.95Å; I576-F591 HydrophobicContact CG2-CG 4.37Å; I577-F591 VanDerWaalsContact O-CA 3.31Å; I577-F591 WeakPolarHBondContact O-CA 3.22Å; K578-F591 HydrophobicContact CB-CD1 3.74Å; K578-F591 HydrophobicContact CB-CE1 3.66Å; K578-F591 HydrophobicContact CD-CE1 3.98Å; K578-F591 HydrophobicContact CD-CZ 4.29Å; K578-F591 HydrophobicContact CG-CD1 4.02Å; K578-F591 HydrophobicContact CG-CE1 3.61Å; K578-F591 HydrophobicContact CG-CZ 4.1Å; A589-F591 HydrophobicContact CB-CE2 3.88Å; A589-F591 HydrophobicContact CB-CZ 4.24Å; A589-F591 WeakPolarHBondContact O-CD2 3.32Å; A589-F591 VanDerWaalsContact O-CE2 3.31Å; A589-F591 WeakPolarHBondContact O-CE2 3.34Å
592	Y	82.6	Confident	71.3	Confident	63 Å²	63	82 Å²	82	25%	0.247	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	145.6	170.9	66.6	-79.5	0	0	0	108.8	I577 K579 K594	I577-Y592 WeakPolarHBondContact CA-O 3.45Å; I577-Y592 HydrophobicContact CB-CD1 4.43Å; I577-Y592 HydrophobicContact CB-CE1 3.99Å; I577-Y592 HydrophobicContact CB-CE2 4.18Å; I577-Y592 WeakPolarHBondContact CB-O 3.44Å; I577-Y592 HydrophobicContact CD1-CE2 4.07Å; I577-Y592 HydrophobicContact CG2-CE1 3.79Å; I577-Y592 HydrophobicContact CG2-CE2 4.5Å; I577-Y592 PolarHBondContact N-O 2.74Å; I577-Y592 PolarHBondContact O-N 2.8Å; K579-Y592 HydrophobicContact CB-CD1 4.14Å; K579-Y592 HydrophobicContact CB-CE1 4.03Å; K579-Y592 HydrophobicContact CG-CE1 4.4Å; Y592-K594 HydrophobicContact CD2-CG 4.18Å; Y592-K594 HydrophobicContact CE2-CD 4.12Å; Y592-K594 HydrophobicContact CE2-CG 3.87Å
593	C	89.7	Confident	73	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	142.6	-178.3	-81.1	0	0	0	0	111.8	C554 S566 Q567 C568 D575	C554-C593 HydrophobicContact CB-CB 3.57Å; C554-C593 WeakPolarHBondContact CB-SG 3.21Å; C554-C593 WeakPolarHBondContact SG-CB 3.34Å; C554-C593 PolarHBondContact SG-N 3.38Å; C554-C593 CovalentContact SG-SG 2.02Å; C554-C593 PolarHBondContact SG-SG 2.99Å; S566-C593 CarbonylContact C-O 3.47Å; S566-C593 VanDerWaalsContact CA-O 3.26Å; S566-C593 WeakPolarHBondContact CA-O 3.48Å; S566-C593 PolarHBondContact OG-N 3.12Å; Q567-C593 PolarHBondContact N-O 2.68Å; C568-C593 WeakPolarHBondContact O-CB 2.98Å; D575-C593 CarbonylContact O-C 3.55Å; D575-C593 VanDerWaalsContact O-CA 3.29Å; D575-C593 WeakPolarHBondContact O-CA 3.44Å
594	K	91.5	Very high	74.7	Confident	90 Å²	90	74.4 Å²	74.4	39%	0.391	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.7	171.5	-86.1	-159.8	162	-175.2	0	111.8	Q567 C568 D575 I577 Y592 K596	Q567-K594 HydrophobicContact CG-CG 4.45Å; C568-K594 PolarHBondContact SG-O 3.43Å; D575-K594 PolarHBondContact N-O 3.15Å; D575-K594 PolarHBondContact O-N 3.17Å; I577-K594 HydrophobicContact CD1-CB 3.87Å; I577-K594 HydrophobicContact CD1-CD 3.97Å; I577-K594 HydrophobicContact CD1-CG 4.02Å; Y592-K594 HydrophobicContact CD2-CG 4.18Å; Y592-K594 HydrophobicContact CE2-CD 4.12Å; Y592-K594 HydrophobicContact CE2-CG 3.87Å; K594-K596 PolarHBondContact O-N 3.26Å
595	L	90.1	Very high	76.3	Confident	37 Å²	37	73.6 Å²	73.6	19%	0.194	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.7	165.9	-64.1	175.9	0	0	0	109.1	Q567 C568 C573 R618 Q620	Q567-L595 HydrophobicContact CB-CG 4.15Å; C568-L595 HydrophobicContact CB-CD2 3.74Å; C568-L595 HydrophobicContact CB-CG 4.48Å; C573-L595 WeakPolarHBondContact O-CA 3.41Å; L595-R618 WeakPolarHBondContact CD1-O 3.37Å; L595-Q620 HydrophobicContact CD2-CB 3.78Å
596	K	89.5	Confident	77.1	Confident	42 Å²	42	70.5 Å²	70.5	18%	0.183	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-60	142.1	172	-74.8	-171.4	179.5	165.1	0	109.5	P572 C573 D575 K594 T600 C615	P572-K596 WeakPolarHBondContact O-CD 3.4Å; P572-K596 WeakPolarHBondContact O-CE 3.34Å; P572-K596 PolarHBondContact O-NZ 2.7Å; C573-K596 PolarHBondContact O-N 2.79Å; D575-K596 HydrophobicContact CB-CG 4.38Å; D575-K596 WeakPolarHBondContact OD1-CE 3.44Å; D575-K596 IonicContact OD1-NZ 2.68Å; D575-K596 WeakPolarHBondContact OD2-CE 3.42Å; D575-K596 WeakPolarHBondContact OD2-CG 3.34Å; K594-K596 PolarHBondContact O-N 3.26Å; K596-T600 HydrophobicContact CB-CG2 4.45Å; K596-T600 HydrophobicContact CD-CG2 3.87Å; K596-C615 HydrophobicContact CB-CB 4.35Å
597	P	88.7	Confident	78	Confident	89 Å²	89	64.7 Å²	64.7	58%	0.578	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-61.6	148.7	-179.7	24.7	-31.4	0	0	0	110.7	G599 T600	P597-G599 PolarHBondContact O-N 2.8Å; P597-T600 WeakPolarHBondContact CD-OG1 3.02Å; P597-T600 WeakPolarHBondContact CG-OG1 3.43Å; P597-T600 PolarHBondContact O-N 3.39Å; P597-T600 PolarHBondContact O-OG1 3.12Å
598	S	87.1	Confident	79.5	Confident	45 Å²	45	60 Å²	60	32%	0.315	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	124.1	179.3	-161	0	0	0	0	110.2	C615 D616	S598-C615 CarbonylContact C-O 3.56Å; S598-C615 WeakPolarHBondContact CA-O 3.37Å; S598-D616 VanDerWaalsContact CB-O 3.32Å; S598-D616 WeakPolarHBondContact CB-O 3.46Å; S598-D616 PolarHBondContact OG-O 3.02Å
599	G	85.2	Confident	81	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	4.5	-178.2	0	0	0	0	0	117.6	P597 I601 Y614 C615 P863 P865	P597-G599 PolarHBondContact O-N 2.8Å; G599-I601 PolarHBondContact O-N 3.33Å; G599-Y614 WeakPolarHBondContact O-CD1 3.45Å; G599-C615 PolarHBondContact N-O 2.96Å; G599-P863 WeakPolarHBondContact CA-O 3.46Å; G599-P863 PolarHBondContact N-O 3.12Å; G599-P865 WeakPolarHBondContact O-CA 3.44Å; G599-P865 VanDerWaalsContact O-CB 3.29Å; G599-P865 WeakPolarHBondContact O-CB 3.37Å; G599-P865 WeakPolarHBondContact O-CD 3.47Å; G599-P865 WeakPolarHBondContact O-CG 3.37Å
600	T	87.5	Confident	82	Confident	41 Å²	41	52.1 Å²	52.1	25%	0.252	29%	0.289	S	S	.	.			trans	-65.7	127.8	169.6	-46.2	0	0	0	0	109.7	K596 P597 C602 Y614 C615	K596-T600 HydrophobicContact CB-CG2 4.45Å; K596-T600 HydrophobicContact CD-CG2 3.87Å; P597-T600 WeakPolarHBondContact CD-OG1 3.02Å; P597-T600 WeakPolarHBondContact CG-OG1 3.43Å; P597-T600 PolarHBondContact O-N 3.39Å; P597-T600 PolarHBondContact O-OG1 3.12Å; T600-C602 PolarHBondContact O-N 3.17Å; T600-Y614 CarbonylContact O-C 3.49Å; T600-Y614 WeakPolarHBondContact O-CA 3.32Å; T600-C615 PolarHBondContact O-N 2.81Å; T600-C615 PolarHBondContact O-SG 2.78Å
601	I	85.8	Confident	82.8	Confident	76 Å²	76	49.2 Å²	49.2	39%	0.39	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	130.7	177.1	-59.8	164.3	0	0	0	109.3	G599 R603 N604 Y614	G599-I601 PolarHBondContact O-N 3.33Å; I601-R603 WeakPolarHBondContact CG2-O 3.49Å; I601-N604 VanDerWaalsContact CG2-OD1 3.24Å; I601-N604 WeakPolarHBondContact CG2-OD1 3.35Å; I601-Y614 HydrophobicContact CB-CD1 4.31Å; I601-Y614 HydrophobicContact CD1-CE1 4.1Å; I601-Y614 HydrophobicContact CG1-CD1 3.45Å; I601-Y614 VanDerWaalsContact CG1-CD1 3.45Å; I601-Y614 HydrophobicContact CG1-CE1 3.38Å
602	C	83.2	Confident	83.2	Confident	24 Å²	24	46.1 Å²	46.1	16%	0.162	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-22.6	178.6	48.8	0	0	0	0	113.7	P572 C573 T600 E613 Y614 C615 C622	P572-C602 HydrophobicContact CB-CB 3.99Å; P572-C602 HydrophobicContact CG-CB 4.21Å; C573-C602 WeakPolarHBondContact SG-CB 3.47Å; T600-C602 PolarHBondContact O-N 3.17Å; C602-E613 PolarHBondContact N-O 3.14Å; C602-E613 PolarHBondContact SG-O 3.2Å; C602-E613 VanDerWaalsContact SG-O 3.36Å; C602-Y614 VanDerWaalsContact SG-C 3.6Å; C602-C615 PolarHBondContact SG-N 3.35Å; C602-C622 VanDerWaalsContact C-SG 3.54Å; C602-C622 HydrophobicContact CB-CB 3.76Å; C602-C622 WeakPolarHBondContact CB-SG 3.27Å; C602-C622 WeakPolarHBondContact SG-CA 3.33Å; C602-C622 WeakPolarHBondContact SG-CB 3.37Å; C602-C622 CovalentContact SG-SG 2.03Å; C602-C622 PolarHBondContact SG-SG 3.07Å
603	R	81.5	Confident	83.2	Confident	52 Å²	52	43.1 Å²	43.1	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.7	164.8	-164.2	-174.4	68.9	105.9	15.1	108.1	I601 D610 L611 P612 E613 C622 D625	I601-R603 WeakPolarHBondContact CG2-O 3.49Å; R603-D610 IonicContact CZ-OD1 3.75Å; R603-D610 IonicContact CZ-OD2 3.1Å; R603-D610 IonicContact NH1-OD1 3.37Å; R603-D610 IonicContact NH1-OD2 3.86Å; R603-D610 PolarHBondContact NH1-OD2 3.18Å; R603-D610 VanDerWaalsContact NH2-CG 3.35Å; R603-D610 IonicContact NH2-OD1 2.64Å; R603-D610 PolarHBondContact NH2-OD1 3.39Å; R603-D610 IonicContact NH2-OD2 3.14Å; R603-D610 PolarHBondContact NH2-OD2 2.81Å; R603-L611 PolarHBondContact NH2-O 2.91Å; R603-P612 WeakPolarHBondContact O-CA 3.48Å; R603-E613 HydrophobicContact CB-CB 4.47Å; R603-E613 IonicContact CZ-OE2 3.21Å; R603-E613 PolarHBondContact N-O 3.19Å; R603-E613 IonicContact NE-OE2 2.78Å; R603-E613 PolarHBondContact NE-OE2 2.86Å; R603-E613 VanDerWaalsContact NH2-CD 3.35Å; R603-E613 IonicContact NH2-OE1 3.33Å; R603-E613 PolarHBondContact NH2-OE1 2.04Å; R603-E613 IonicContact NH2-OE2 2.81Å; R603-E613 PolarHBondContact NH2-OE2 2.96Å; R603-E613 PolarHBondContact O-N 3.49Å; R603-C622 PolarHBondContact N-SG 2.03Å; R603-D625 IonicContact CZ-OD1 3.68Å; R603-D625 IonicContact CZ-OD2 2.71Å; R603-D625 IonicContact NE-OD2 2.79Å; R603-D625 PolarHBondContact NE-OD2 3.28Å; R603-D625 IonicContact NH1-OD1 3.95Å; R603-D625 IonicContact NH1-OD2 3.39Å; R603-D625 PolarHBondContact NH1-OD2 2.81Å; R603-D625 IonicContact NH2-OD1 2.67Å; R603-D625 PolarHBondContact NH2-OD1 3.41Å; R603-D625 IonicContact NH2-OD2 3.45Å
604	N	78.7	Confident	83.1	Confident	116 Å²	116	44.2 Å²	44.2	62%	0.62	25%	0.249	S	C	*	.			trans	-82	154.6	170.3	-62	-24.9	0	0	0	109	I601 S606	I601-N604 VanDerWaalsContact CG2-OD1 3.24Å; I601-N604 WeakPolarHBondContact CG2-OD1 3.35Å; N604-S606 PolarHBondContact O-N 2.9Å
605	E	77.1	Confident	82.9	Confident	105 Å²	105	40 Å²	40	49%	0.491	23%	0.231	S	C	.	.			trans	-59.6	121.7	177	64.5	-76.2	-175	0	0	112.9	G607 D610	E605-G607 PolarHBondContact O-N 2.96Å; E605-D610 HydrophobicContact CB-CB 4.12Å
606	S	67.9	Low	82.6	Confident	59 Å²	59	40.8 Å²	40.8	41%	0.413	24%	0.235	S	C	.	.			trans	-81.2	62.6	176.3	-151.7	0	0	0	0	111.7	N604 D610	N604-S606 PolarHBondContact O-N 2.9Å; S606-D610 WeakPolarHBondContact CA-OD2 3.15Å; S606-D610 WeakPolarHBondContact CB-OD2 3.3Å; S606-D610 PolarHBondContact N-OD2 2.91Å
607	G	69.8	Low	82.5	Confident	39 Å²	39	40.1 Å²	40.1	40%	0.402	24%	0.24	S	C	.	.	S	Bend	trans	95.7	-174	175.5	0	0	0	0	0	115	E605 C609 D610	E605-G607 PolarHBondContact O-N 2.96Å; G607-C609 VanDerWaalsContact C-N 3.25Å; G607-C609 PolarHBondContact O-N 3.5Å; G607-C609 VanDerWaalsContact O-N 3.09Å; G607-D610 PolarHBondContact O-N 3.34Å
608	T	80.4	Confident	82.3	Confident	67 Å²	67	45.9 Å²	45.9	41%	0.411	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.7	-160.2	59.3	0	0	0	0	115.5	K628 Y635	T608-K628 PolarHBondContact O-NZ 3.27Å; T608-Y635 WeakPolarHBondContact CG2-O 3.39Å; T608-Y635 PolarHBondContact OG1-O 2.82Å
609	C	82.6	Confident	81.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.2	178.8	-75.8	0	0	0	0	115.4	G607 K628 C634 C644 G647 C649	G607-C609 VanDerWaalsContact C-N 3.25Å; G607-C609 PolarHBondContact O-N 3.5Å; G607-C609 VanDerWaalsContact O-N 3.09Å; C609-K628 WeakPolarHBondContact O-CB 3.37Å; C609-K628 WeakPolarHBondContact O-CG 3.15Å; C609-K628 PolarHBondContact O-N 3.03Å; C609-C634 WeakPolarHBondContact SG-CB 3.42Å; C609-C644 WeakPolarHBondContact CA-SG 3.26Å; C609-C644 HydrophobicContact CB-CB 3.71Å; C609-C644 WeakPolarHBondContact CB-SG 3.4Å; C609-C644 WeakPolarHBondContact SG-CA 3.39Å; C609-C644 WeakPolarHBondContact SG-CB 3.46Å; C609-C644 CovalentContact SG-SG 2.03Å; C609-C644 PolarHBondContact SG-SG 3.15Å; C609-G647 WeakPolarHBondContact CB-O 3.44Å; C609-C649 HydrophobicContact CB-CB 4.36Å; C609-C649 VanDerWaalsContact SG-CB 3.58Å
610	D	81.1	Confident	81.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-90.5	171.5	-177.9	-157.6	-1.3	0	0	0	111.6	R603 E605 S606 G607 K628 V784	R603-D610 IonicContact CZ-OD1 3.75Å; R603-D610 IonicContact CZ-OD2 3.1Å; R603-D610 IonicContact NH1-OD1 3.37Å; R603-D610 IonicContact NH1-OD2 3.86Å; R603-D610 PolarHBondContact NH1-OD2 3.18Å; R603-D610 VanDerWaalsContact NH2-CG 3.35Å; R603-D610 IonicContact NH2-OD1 2.64Å; R603-D610 PolarHBondContact NH2-OD1 3.39Å; R603-D610 IonicContact NH2-OD2 3.14Å; R603-D610 PolarHBondContact NH2-OD2 2.81Å; E605-D610 HydrophobicContact CB-CB 4.12Å; S606-D610 WeakPolarHBondContact CA-OD2 3.15Å; S606-D610 WeakPolarHBondContact CB-OD2 3.3Å; S606-D610 PolarHBondContact N-OD2 2.91Å; G607-D610 PolarHBondContact O-N 3.34Å; D610-K628 WeakPolarHBondContact O-CE 3.39Å; D610-K628 PolarHBondContact O-NZ 2.86Å; D610-V784 HydrophobicContact CB-CG1 3.98Å
611	L	82.5	Confident	81	Confident	6 Å²	6	46 Å²	46	3%	0.031	25%	0.246	C	C	.	.			trans	-130.4	156.9	173.1	-58.6	166.3	0	0	0	109.9	R603 V626 K628 I832 N834 H840	R603-L611 PolarHBondContact NH2-O 2.91Å; L611-V626 WeakPolarHBondContact CB-O 3.14Å; L611-V626 HydrophobicContact CD1-CG2 4.43Å; L611-V626 PolarHBondContact N-O 3.29Å; L611-K628 HydrophobicContact CD1-CG 4.45Å; L611-K628 HydrophobicContact CD2-CD 4.37Å; L611-K628 HydrophobicContact CD2-CG 3.71Å; L611-K628 HydrophobicContact CG-CG 3.99Å; L611-I832 HydrophobicContact CD2-CG2 3.78Å; L611-N834 HydrophobicContact CD1-CB 3.75Å; L611-H840 HydrophobicContact CD1-CB 3.92Å; L611-H840 HydrophobicContact CD2-CB 4.37Å
612	P	84.7	Confident	80.6	Confident	15 Å²	15	43.9 Å²	43.9	10%	0.097	24%	0.238	C	C	.	.			trans	-82.5	148.6	175	31.3	-34.6	0	0	0	112.5	R603 Y614 H840	R603-P612 WeakPolarHBondContact O-CA 3.48Å; P612-Y614 HydrophobicContact CB-CE2 4.48Å; P612-Y614 HydrophobicContact CG-CE2 4.11Å; P612-Y614 WeakPolarHBondContact CG-OH 3.45Å; P612-H840 PolarHBondContact O-CE1 2.76Å; P612-H840 VanDerWaalsContact O-CE1 3.3Å
613	E	83.6	Confident	80.3	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.3	171.3	-71.4	70.7	-156.2	0	0	111.3	C602 R603 C622 P623 V626 S861	C602-E613 PolarHBondContact N-O 3.14Å; C602-E613 PolarHBondContact SG-O 3.2Å; C602-E613 VanDerWaalsContact SG-O 3.36Å; R603-E613 HydrophobicContact CB-CB 4.47Å; R603-E613 IonicContact CZ-OE2 3.21Å; R603-E613 PolarHBondContact N-O 3.19Å; R603-E613 IonicContact NE-OE2 2.78Å; R603-E613 PolarHBondContact NE-OE2 2.86Å; R603-E613 VanDerWaalsContact NH2-CD 3.35Å; R603-E613 IonicContact NH2-OE1 3.33Å; R603-E613 PolarHBondContact NH2-OE1 2.04Å; R603-E613 IonicContact NH2-OE2 2.81Å; R603-E613 PolarHBondContact NH2-OE2 2.96Å; R603-E613 PolarHBondContact O-N 3.49Å; E613-C622 WeakPolarHBondContact CB-SG 3.45Å; E613-P623 HydrophobicContact CG-CB 4.44Å; E613-V626 PolarHBondContact OE1-N 3.42Å; E613-S861 WeakPolarHBondContact CA-O 3.38Å
614	Y	86.8	Confident	79.7	Confident	23 Å²	23	45.5 Å²	45.5	9%	0.09	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.2	-174.1	-47.5	-93.9	0	0	0	110.1	G599 T600 I601 C602 P612 D616 P623 H840 S861 P864	G599-Y614 WeakPolarHBondContact O-CD1 3.45Å; T600-Y614 CarbonylContact O-C 3.49Å; T600-Y614 WeakPolarHBondContact O-CA 3.32Å; I601-Y614 HydrophobicContact CB-CD1 4.31Å; I601-Y614 HydrophobicContact CD1-CE1 4.1Å; I601-Y614 HydrophobicContact CG1-CD1 3.45Å; I601-Y614 VanDerWaalsContact CG1-CD1 3.45Å; I601-Y614 HydrophobicContact CG1-CE1 3.38Å; C602-Y614 VanDerWaalsContact SG-C 3.6Å; P612-Y614 HydrophobicContact CB-CE2 4.48Å; P612-Y614 HydrophobicContact CG-CE2 4.11Å; P612-Y614 WeakPolarHBondContact CG-OH 3.45Å; Y614-D616 PolarHBondContact O-N 2.95Å; Y614-P623 VanDerWaalsContact O-CD 3.29Å; Y614-P623 WeakPolarHBondContact O-CD 2.98Å; Y614-P623 WeakPolarHBondContact O-CG 3.44Å; Y614-H840 AromaticContact CE2-CE1 3.81Å; Y614-S861 PolarHBondContact N-O 2.88Å; Y614-P864 HydrophobicContact CD1-CB 3.52Å; Y614-P864 HydrophobicContact CD2-CB 3.88Å; Y614-P864 HydrophobicContact CE1-CB 3.37Å; Y614-P864 HydrophobicContact CE2-CB 3.77Å; Y614-P864 HydrophobicContact CG-CB 3.77Å
615	C	87	Confident	79.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.			trans	-54	131.3	178	-60.5	0	0	0	0	111	C573 K596 S598 G599 T600 C602 G617	C573-C615 WeakPolarHBondContact CA-SG 3.48Å; C573-C615 HydrophobicContact CB-CB 3.8Å; C573-C615 WeakPolarHBondContact CB-SG 3.13Å; C573-C615 WeakPolarHBondContact SG-CA 3.5Å; C573-C615 WeakPolarHBondContact SG-CB 3.36Å; C573-C615 CovalentContact SG-SG 2.03Å; C573-C615 PolarHBondContact SG-SG 2.79Å; K596-C615 HydrophobicContact CB-CB 4.35Å; S598-C615 CarbonylContact C-O 3.56Å; S598-C615 WeakPolarHBondContact CA-O 3.37Å; G599-C615 PolarHBondContact N-O 2.96Å; T600-C615 PolarHBondContact O-N 2.81Å; T600-C615 PolarHBondContact O-SG 2.78Å; C602-C615 PolarHBondContact SG-N 3.35Å; C615-G617 PolarHBondContact O-N 3.48Å
616	D	84.7	Confident	79	Confident	54 Å²	54	38.3 Å²	38.3	29%	0.289	23%	0.226	S	C	.	.			trans	-69.7	-16.8	175.3	75.5	-25.2	0	0	0	112.7	S598 Y614 R618 S619	S598-D616 VanDerWaalsContact CB-O 3.32Å; S598-D616 WeakPolarHBondContact CB-O 3.46Å; S598-D616 PolarHBondContact OG-O 3.02Å; Y614-D616 PolarHBondContact O-N 2.95Å; D616-R618 PolarHBondContact OD1-N 3.47Å; D616-R618 VanDerWaalsContact OD2-CB 3.3Å; D616-R618 WeakPolarHBondContact OD2-CB 3.35Å; D616-S619 PolarHBondContact OD1-N 2.92Å
617	G	86.8	Confident	79.6	Confident	28 Å²	28	37.8 Å²	37.8	29%	0.289	22%	0.216	S	C	.	.	S	Bend	trans	83.3	14.8	-175.9	0	0	0	0	0	113.9	C615	C615-G617 PolarHBondContact O-N 3.48Å
618	R	84.8	Confident	80.2	Confident	211 Å²	211	37.6 Å²	37.6	80%	0.796	20%	0.204	S	C	*	.	S	Bend	trans	-131.1	-28.4	-178.7	-42.3	174.5	176.8	-179.1	-0.9	112.1	L595 D616	L595-R618 WeakPolarHBondContact CD1-O 3.37Å; D616-R618 PolarHBondContact OD1-N 3.47Å; D616-R618 VanDerWaalsContact OD2-CB 3.3Å; D616-R618 WeakPolarHBondContact OD2-CB 3.35Å
619	S	78	Confident	80.4	Confident	41 Å²	41	35.1 Å²	35.1	29%	0.287	19%	0.188	S	C	.	.			trans	-103	147.2	173.9	-173.3	0	0	0	0	112.1	C573 D616 W621	C573-S619 WeakPolarHBondContact CB-O 3.46Å; D616-S619 PolarHBondContact OD1-N 2.92Å; S619-W621 PolarHBondContact O-N 3.22Å; S619-W621 PolarHBondContact OG-N 2.85Å; S619-W621 VanDerWaalsContact OG-N 3.1Å
620	Q	79	Confident	80.3	Confident	17 Å²	17	36 Å²	36	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	-78.9	-5.7	168.9	77	179.8	-3.8	0	0	112.6	C568 G570 G571 C573 C574 L595	C568-Q620 HydrophobicContact CB-CB 3.6Å; C568-Q620 HydrophobicContact CB-CG 4.49Å; C568-Q620 VanDerWaalsContact CB-OE1 3.26Å; G570-Q620 WeakPolarHBondContact O-CB 3.42Å; G570-Q620 VanDerWaalsContact O-CD 3.31Å; G570-Q620 WeakPolarHBondContact O-CG 3.39Å; G570-Q620 PolarHBondContact O-OE1 3.37Å; G571-Q620 CarbonylContact C-O 3.53Å; C573-Q620 WeakPolarHBondContact CA-O 3.38Å; C573-Q620 WeakPolarHBondContact CB-O 3.37Å; C573-Q620 PolarHBondContact N-O 3.5Å; C574-Q620 HydrophobicContact CB-CB 4.3Å; L595-Q620 HydrophobicContact CD2-CB 3.78Å
621	W	75.4	Confident	80.5	Confident	30 Å²	30	36 Å²	36	11%	0.114	19%	0.192	C	C	.	.	S	Bend	trans	-104.6	157.4	178.2	-51.9	107	0	0	0	111.5	H253 V254 F255 C573 S619	H253-W621 HydrophobicContact CB-CZ2 3.69Å; H253-W621 AromaticContact CD2-NE1 3.53Å; H253-W621 AromaticContact CE1-CD1 3.27Å; H253-W621 AromaticContact CE1-NE1 3.53Å; H253-W621 AromaticContact CG-CD1 3.76Å; H253-W621 AromaticContact CG-CE2 3.74Å; H253-W621 AromaticContact CG-NE1 3.16Å; H253-W621 AromaticContact ND1-CD1 3.27Å; H253-W621 VanDerWaalsContact ND1-CD1 3.27Å; H253-W621 AromaticContact ND1-CE2 3.72Å; H253-W621 AromaticContact ND1-CG 3.83Å; H253-W621 AromaticContact ND1-NE1 3.15Å; H253-W621 PolarHBondContact ND1-NE1 3.29Å; H253-W621 VanDerWaalsContact ND1-NE1 3.15Å; H253-W621 AromaticContact NE2-CD1 3.7Å; H253-W621 AromaticContact NE2-NE1 3.72Å; V254-W621 WeakPolarHBondContact O-CH2 3.34Å; V254-W621 VanDerWaalsContact O-CZ3 3.26Å; V254-W621 WeakPolarHBondContact O-CZ3 3.21Å; F255-W621 HydrophobicContact CD2-CH2 4.2Å; F255-W621 HydrophobicContact CD2-CZ2 4.3Å; F255-W621 HydrophobicContact CE2-CZ2 4.28Å; C573-W621 PolarHBondContact SG-O 3.17Å; S619-W621 PolarHBondContact O-N 3.22Å; S619-W621 PolarHBondContact OG-N 2.85Å; S619-W621 VanDerWaalsContact OG-N 3.1Å
622	C	76.1	Confident	80.8	Confident	31 Å²	31	38.1 Å²	38.1	21%	0.209	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-71.8	152.8	170.5	-147.7	0	0	0	0	109.7	P572 C602 R603 E613	P572-C622 HydrophobicContact CG-CB 3.99Å; C602-C622 VanDerWaalsContact C-SG 3.54Å; C602-C622 HydrophobicContact CB-CB 3.76Å; C602-C622 WeakPolarHBondContact CB-SG 3.27Å; C602-C622 WeakPolarHBondContact SG-CA 3.33Å; C602-C622 WeakPolarHBondContact SG-CB 3.37Å; C602-C622 CovalentContact SG-SG 2.03Å; C602-C622 PolarHBondContact SG-SG 3.07Å; R603-C622 PolarHBondContact N-SG 2.03Å; E613-C622 WeakPolarHBondContact CB-SG 3.45Å
623	P	78.1	Confident	81.2	Confident	33 Å²	33	40.7 Å²	40.7	21%	0.214	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.5	172	166.3	-26.3	35.5	0	0	0	113.4	E613 Y614 D860	E613-P623 HydrophobicContact CG-CB 4.44Å; Y614-P623 VanDerWaalsContact O-CD 3.29Å; Y614-P623 WeakPolarHBondContact O-CD 2.98Å; Y614-P623 WeakPolarHBondContact O-CG 3.44Å; P623-D860 WeakPolarHBondContact CB-O 3.46Å
624	A	68.4	Low	81.5	Confident	78 Å²	78	40.8 Å²	40.8	65%	0.645	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-63	138.1	174.5	0	0	0	0	0	111.3	V626	A624-V626 PolarHBondContact O-N 3.27Å
625	D	67.4	Low	81.8	Confident	67 Å²	67	45.1 Å²	45.1	36%	0.358	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.5	123.2	176.3	-170.7	-47.8	0	0	0	110.7	R603	R603-D625 IonicContact CZ-OD1 3.68Å; R603-D625 IonicContact CZ-OD2 2.71Å; R603-D625 IonicContact NE-OD2 2.79Å; R603-D625 PolarHBondContact NE-OD2 3.28Å; R603-D625 IonicContact NH1-OD1 3.95Å; R603-D625 IonicContact NH1-OD2 3.39Å; R603-D625 PolarHBondContact NH1-OD2 2.81Å; R603-D625 IonicContact NH2-OD1 2.67Å; R603-D625 PolarHBondContact NH2-OD1 3.41Å; R603-D625 IonicContact NH2-OD2 3.45Å
626	V	74.6	Confident	81.7	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	24%	0.24	C	C	.	.			trans	-129.7	142.4	176.2	-64.6	0	0	0	0	111.4	L611 E613 A624 N834 N835 L836 D860	L611-V626 WeakPolarHBondContact CB-O 3.14Å; L611-V626 HydrophobicContact CD1-CG2 4.43Å; L611-V626 PolarHBondContact N-O 3.29Å; E613-V626 PolarHBondContact OE1-N 3.42Å; A624-V626 PolarHBondContact O-N 3.27Å; V626-N834 HydrophobicContact CB-CB 4.36Å; V626-N835 WeakPolarHBondContact CA-OD1 3.33Å; V626-N835 WeakPolarHBondContact CB-OD1 3.08Å; V626-L836 HydrophobicContact CG1-CD1 3.93Å; V626-L836 HydrophobicContact CG1-CG 4.46Å; V626-D860 HydrophobicContact CG1-CB 4.11Å
627	Y	78.8	Confident	81.4	Confident	48 Å²	48	51.6 Å²	51.6	19%	0.188	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-129.3	168	-171.9	52	-94.6	0	0	0	111.3	R646 G647 V784 N834 N835	Y627-R646 VanDerWaalsContact CD2-C 3.41Å; Y627-R646 HydrophobicContact CE2-CB 4.48Å; Y627-G647 VanDerWaalsContact CD2-CA 3.46Å; Y627-V784 HydrophobicContact CD1-CG2 3.39Å; Y627-V784 HydrophobicContact CE1-CG2 3.94Å; Y627-V784 HydrophobicContact CG-CG2 3.96Å; Y627-N834 CarbonylContact O-C 3.46Å; Y627-N834 WeakPolarHBondContact O-CA 3.35Å; Y627-N835 HydrophobicContact CD1-CB 4.43Å; Y627-N835 HydrophobicContact CD2-CB 3.59Å; Y627-N835 HydrophobicContact CE1-CB 4.12Å; Y627-N835 HydrophobicContact CE2-CB 3.19Å; Y627-N835 HydrophobicContact CG-CB 4.21Å; Y627-N835 PolarHBondContact N-OD1 2.77Å; Y627-N835 PolarHBondContact O-N 3.07Å; Y627-N835 PolarHBondContact O-OD1 2.91Å
628	K	84.2	Confident	81.3	Confident	36 Å²	36	54.9 Å²	54.9	16%	0.157	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-66.8	138.5	-177.6	-64.8	173.2	-178.7	111.4	0	111.1	T608 C609 D610 L611 Q632 I832	T608-K628 PolarHBondContact O-NZ 3.27Å; C609-K628 WeakPolarHBondContact O-CB 3.37Å; C609-K628 WeakPolarHBondContact O-CG 3.15Å; C609-K628 PolarHBondContact O-N 3.03Å; D610-K628 WeakPolarHBondContact O-CE 3.39Å; D610-K628 PolarHBondContact O-NZ 2.86Å; L611-K628 HydrophobicContact CD1-CG 4.45Å; L611-K628 HydrophobicContact CD2-CD 4.37Å; L611-K628 HydrophobicContact CD2-CG 3.71Å; L611-K628 HydrophobicContact CG-CG 3.99Å; K628-Q632 HydrophobicContact CB-CG 4.39Å; K628-I832 HydrophobicContact CD-CD1 3.71Å; K628-I832 HydrophobicContact CG-CD1 3.95Å; K628-I832 HydrophobicContact CG-CG1 4.46Å
629	I	83.9	Confident	81.5	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.072	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-54.3	144.4	-175.7	-158.5	168.3	0	0	0	113.2	Q632 P821 C833	I629-Q632 WeakPolarHBondContact O-CB 3.14Å; I629-Q632 PolarHBondContact O-N 3.22Å; I629-Q632 VanDerWaalsContact O-N 3.15Å; I629-P821 HydrophobicContact CD1-CG 4.1Å; I629-P821 HydrophobicContact CG1-CG 4.33Å; I629-C833 HydrophobicContact CB-CB 4.01Å; I629-C833 HydrophobicContact CD1-CB 4.12Å; I629-C833 HydrophobicContact CG2-CB 3.79Å; I629-C833 PolarHBondContact N-O 3.42Å
630	D	80.8	Confident	82.1	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.107	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	142.3	-178.2	-78.6	33	0	0	0	113.5	Q632 C644 I645 R646 V819 R820	D630-Q632 VanDerWaalsContact C-N 3.26Å; D630-Q632 PolarHBondContact O-N 2.83Å; D630-C644 CarbonylContact C-O 3.53Å; D630-C644 WeakPolarHBondContact CA-O 3.22Å; D630-I645 HydrophobicContact CB-CD1 3.93Å; D630-I645 WeakPolarHBondContact OD2-CG2 3.42Å; D630-R646 VanDerWaalsContact CG-N 3.34Å; D630-R646 PolarHBondContact OD1-N 3.34Å; D630-R646 PolarHBondContact OD2-N 3.14Å; D630-V819 HydrophobicContact CB-CG1 4.22Å; D630-R820 VanDerWaalsContact O-CG 3.26Å; D630-R820 WeakPolarHBondContact O-CG 3.45Å
631	G	85.4	Confident	82.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-2.1	-173	0	0	0	0	0	114.7	C644 I816	G631-C644 PolarHBondContact N-O 2.98Å; G631-I816 WeakPolarHBondContact O-CD1 3.28Å
632	Q	88.4	Confident	83.6	Confident	51 Å²	51	53.8 Å²	53.8	24%	0.238	28%	0.282	C	S	.	.			trans	-63.3	140.3	175.1	179.3	60.9	5.3	0	0	111.5	K628 I629 D630 H643 C644 I832	K628-Q632 HydrophobicContact CB-CG 4.39Å; I629-Q632 WeakPolarHBondContact O-CB 3.14Å; I629-Q632 PolarHBondContact O-N 3.22Å; I629-Q632 VanDerWaalsContact O-N 3.15Å; D630-Q632 VanDerWaalsContact C-N 3.26Å; D630-Q632 PolarHBondContact O-N 2.83Å; Q632-H643 CarbonylContact O-C 3.15Å; Q632-H643 WeakPolarHBondContact O-CA 3.03Å; Q632-H643 WeakPolarHBondContact O-CB 3.44Å; Q632-C644 HydrophobicContact CB-CB 4.14Å; Q632-C644 PolarHBondContact O-N 3.15Å; Q632-I832 HydrophobicContact CG-CD1 4.15Å
633	L	92.3	Very high	84.3	Confident	69 Å²	69	53.1 Å²	53.1	36%	0.361	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135	-178.7	-174.4	67.5	0	0	0	111.9	Y635 R641	L633-Y635 HydrophobicContact CD2-CE2 4.38Å; L633-Y635 HydrophobicContact CG-CE2 4.46Å; L633-R641 HydrophobicContact CD1-CG 3.81Å; L633-R641 VanDerWaalsContact CD1-NE 3.33Å
634	C	91.7	Very high	84.6	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	171.7	175.7	79.5	0	0	0	0	112.9	C609 A642 C649	C609-C634 WeakPolarHBondContact SG-CB 3.42Å; C634-A642 PolarHBondContact N-O 2.95Å; C634-A642 PolarHBondContact O-N 2.79Å; C634-C649 HydrophobicContact CB-CB 3.95Å; C634-C649 WeakPolarHBondContact CB-SG 3.31Å; C634-C649 WeakPolarHBondContact SG-CB 3.11Å; C634-C649 CovalentContact SG-SG 2.04Å; C634-C649 PolarHBondContact SG-SG 3.37Å
635	Y	92.4	Very high	85.2	Confident	114 Å²	114	47.9 Å²	47.9	45%	0.447	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.1	172.2	-65.9	-96.5	0	0	0	109.1	T608 L633 R640 R641 C649	T608-Y635 WeakPolarHBondContact CG2-O 3.39Å; T608-Y635 PolarHBondContact OG1-O 2.82Å; L633-Y635 HydrophobicContact CD2-CE2 4.38Å; L633-Y635 HydrophobicContact CG-CE2 4.46Å; Y635-R640 CarbonylContact C-O 3.5Å; Y635-R640 VanDerWaalsContact CA-O 3.27Å; Y635-R640 WeakPolarHBondContact CA-O 3.19Å; Y635-R641 HydrophobicContact CD1-CB 4.39Å; Y635-R641 HydrophobicContact CE1-CB 4.1Å; Y635-C649 PolarHBondContact O-SG 3.44Å; Y635-C649 VanDerWaalsContact O-SG 3.39Å
636	T	85.1	Confident	85.4	Confident	23 Å²	23	46.6 Å²	46.6	14%	0.141	23%	0.225	C	C	.	.			trans	-73.7	169	173.5	65.6	0	0	0	0	111.1	E638 G639 R640 A642 E651	T636-E638 PolarHBondContact O-N 3.47Å; T636-E638 VanDerWaalsContact O-N 3.12Å; T636-G639 WeakPolarHBondContact O-CA 3.45Å; T636-G639 PolarHBondContact O-N 2.91Å; T636-R640 PolarHBondContact N-O 2.66Å; T636-R640 PolarHBondContact OG1-N 2.8Å; T636-A642 HydrophobicContact CG2-CB 4.39Å; T636-E651 HydrophobicContact CG2-CG 4.06Å
637	D	77.9	Confident	85.1	Confident	166 Å²	166	46.7 Å²	46.7	89%	0.888	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	179.3	-46.2	-46.4	0	0	0	113.2	G639	D637-G639 PolarHBondContact O-N 3.42Å
638	E	84.1	Confident	84.8	Confident	97 Å²	97	44.5 Å²	44.5	45%	0.453	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	11.1	171.3	-63.7	-171	-160.6	0	0	113.4	T636 R640 R657	T636-E638 PolarHBondContact O-N 3.47Å; T636-E638 VanDerWaalsContact O-N 3.12Å; E638-R640 VanDerWaalsContact C-N 3.29Å; E638-R640 HydrophobicContact CB-CG 4.22Å; E638-R640 PolarHBondContact O-N 2.98Å; E638-R640 IonicContact OE2-CZ 3.63Å; E638-R640 IonicContact OE2-NE 3.03Å; E638-R640 PolarHBondContact OE2-NE 3.17Å; E638-R640 IonicContact OE2-NH1 2.74Å; E638-R640 IonicContact OE2-NH2 2.74Å; E638-R640 PolarHBondContact OE2-NH2 3.09Å; E638-R657 IonicContact OE1-CZ 2.78Å; E638-R657 IonicContact OE1-NE 3.19Å; E638-R657 PolarHBondContact OE1-NE 2.76Å; E638-R657 IonicContact OE1-NH2 3.73Å; E638-R657 PolarHBondContact OE1-NH2 3.48Å; E638-R657 IonicContact OE2-CZ 3.59Å; E638-R657 IonicContact OE2-NE 2.73Å; E638-R657 IonicContact OE2-NH2 3.88Å; E638-R657 PolarHBondContact OE2-NH2 3.01Å
639	G	89.5	Confident	84.6	Confident	55 Å²	55	44.1 Å²	44.1	57%	0.567	22%	0.22	S	C	*	.	S	Bend	trans	71.9	15.8	-179.4	0	0	0	0	0	114.6	T636 D637	T636-G639 WeakPolarHBondContact O-CA 3.45Å; T636-G639 PolarHBondContact O-N 2.91Å; D637-G639 PolarHBondContact O-N 3.42Å
640	R	91	Very high	84.5	Confident	82 Å²	82	45.3 Å²	45.3	31%	0.309	22%	0.223	S	C	.	.			trans	-93.8	135.5	-174.3	-54.9	-167.8	-164.9	162.5	-4.9	112	Y635 T636 E638 A642 E651 D653 R657	Y635-R640 CarbonylContact C-O 3.5Å; Y635-R640 VanDerWaalsContact CA-O 3.27Å; Y635-R640 WeakPolarHBondContact CA-O 3.19Å; T636-R640 PolarHBondContact N-O 2.66Å; T636-R640 PolarHBondContact OG1-N 2.8Å; E638-R640 VanDerWaalsContact C-N 3.29Å; E638-R640 HydrophobicContact CB-CG 4.22Å; E638-R640 PolarHBondContact O-N 2.98Å; E638-R640 IonicContact OE2-CZ 3.63Å; E638-R640 IonicContact OE2-NE 3.03Å; E638-R640 PolarHBondContact OE2-NE 3.17Å; E638-R640 IonicContact OE2-NH1 2.74Å; E638-R640 IonicContact OE2-NH2 2.74Å; E638-R640 PolarHBondContact OE2-NH2 3.09Å; R640-A642 PolarHBondContact O-N 3.11Å; R640-E651 HydrophobicContact CB-CG 4.26Å; R640-E651 WeakPolarHBondContact CD-OE1 3.25Å; R640-E651 IonicContact CZ-OE1 3.47Å; R640-E651 IonicContact NE-OE1 2.7Å; R640-E651 IonicContact NH1-OE1 2.77Å; R640-E651 PolarHBondContact NH1-OE1 2.82Å; R640-E651 IonicContact NH1-OE2 3.67Å; R640-D653 IonicContact CZ-OD2 3.3Å; R640-D653 VanDerWaalsContact CZ-OD2 3.27Å; R640-D653 VanDerWaalsContact NH1-CG 3.31Å; R640-D653 IonicContact NH1-OD2 3.66Å; R640-D653 PolarHBondContact NH1-OD2 2.62Å; R640-D653 IonicContact NH2-OD2 3.84Å; R640-D653 PolarHBondContact NH2-OD2 3.43Å; R640-R657 VanDerWaalsContact NH2-NH2 3.13Å
641	R	93.6	Very high	84.8	Confident	140 Å²	140	45.4 Å²	45.4	53%	0.528	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.1	178.9	-179.4	175.3	176.4	144.8	4.3	111	L633 Y635 P802	L633-R641 HydrophobicContact CD1-CG 3.81Å; L633-R641 VanDerWaalsContact CD1-NE 3.33Å; Y635-R641 HydrophobicContact CD1-CB 4.39Å; Y635-R641 HydrophobicContact CE1-CB 4.1Å; R641-P802 WeakPolarHBondContact O-CG 3.42Å
642	A	92.5	Very high	85.1	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	-168	169.2	0	0	0	0	0	109.1	C634 T636 R640 R650 E651	C634-A642 PolarHBondContact N-O 2.95Å; C634-A642 PolarHBondContact O-N 2.79Å; T636-A642 HydrophobicContact CG2-CB 4.39Å; R640-A642 PolarHBondContact O-N 3.11Å; A642-R650 WeakPolarHBondContact CB-O 3.46Å; A642-E651 HydrophobicContact CB-CB 4.4Å
643	H	90.4	Very high	85.3	Confident	17 Å²	17	44.1 Å²	44.1	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145	171.8	-51.9	81.8	0	0	0	110	Q632 I645 G800 F807	Q632-H643 CarbonylContact O-C 3.15Å; Q632-H643 WeakPolarHBondContact O-CA 3.03Å; Q632-H643 WeakPolarHBondContact O-CB 3.44Å; H643-I645 PolarHBondContact O-N 2.61Å; H643-G800 PolarHBondContact N-O 3.21Å; H643-G800 PolarHBondContact ND1-O 2.92Å; H643-G800 WeakPolarHBondContact O-CA 3.45Å; H643-F807 HydrophobicContact CB-CD1 4.17Å; H643-F807 HydrophobicContact CB-CG 4.34Å; H643-F807 AromaticContact CD2-CD1 3.94Å; H643-F807 AromaticContact CE1-CD1 3.84Å; H643-F807 AromaticContact CG-CD1 3.62Å; H643-F807 WeakPolarHBondContact ND1-CB 3.47Å; H643-F807 AromaticContact ND1-CD1 3.57Å; H643-F807 AromaticContact ND1-CG 3.75Å
644	C	85	Confident	85.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.8	167.3	-55.2	0	0	0	0	109.1	C609 D630 G631 Q632 G648	C609-C644 WeakPolarHBondContact CA-SG 3.26Å; C609-C644 HydrophobicContact CB-CB 3.71Å; C609-C644 WeakPolarHBondContact CB-SG 3.4Å; C609-C644 WeakPolarHBondContact SG-CA 3.39Å; C609-C644 WeakPolarHBondContact SG-CB 3.46Å; C609-C644 CovalentContact SG-SG 2.03Å; C609-C644 PolarHBondContact SG-SG 3.15Å; D630-C644 CarbonylContact C-O 3.53Å; D630-C644 WeakPolarHBondContact CA-O 3.22Å; G631-C644 PolarHBondContact N-O 2.98Å; Q632-C644 HydrophobicContact CB-CB 4.14Å; Q632-C644 PolarHBondContact O-N 3.15Å; C644-G648 WeakPolarHBondContact CA-O 3.49Å
645	I	79.5	Confident	85	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.1	164.2	-66.9	-61.9	0	0	0	105.2	D630 H643 G647 G648 D799 F807 Y809 V819	D630-I645 HydrophobicContact CB-CD1 3.93Å; D630-I645 WeakPolarHBondContact OD2-CG2 3.42Å; H643-I645 PolarHBondContact O-N 2.61Å; I645-G647 PolarHBondContact O-N 3.12Å; I645-G648 PolarHBondContact N-O 2.79Å; I645-G648 PolarHBondContact O-N 3.33Å; I645-D799 HydrophobicContact CB-CB 4.13Å; I645-D799 HydrophobicContact CG1-CB 4.27Å; I645-D799 HydrophobicContact CG2-CB 3.76Å; I645-F807 HydrophobicContact CD1-CD2 4.29Å; I645-F807 HydrophobicContact CD1-CE2 3.68Å; I645-F807 HydrophobicContact CD1-CZ 4.31Å; I645-F807 HydrophobicContact CG1-CE2 4.43Å; I645-Y809 HydrophobicContact CD1-CD2 3.85Å; I645-Y809 HydrophobicContact CD1-CE2 4.2Å; I645-Y809 HydrophobicContact CG1-CD2 4.39Å; I645-Y809 HydrophobicContact CG2-CD2 4.1Å; I645-Y809 HydrophobicContact CG2-CE2 4.02Å; I645-V819 HydrophobicContact CD1-CG1 4.01Å
646	R	71.6	Confident	84.9	Confident	41 Å²	41	36.8 Å²	36.8	16%	0.155	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	23.7	178.8	-60.1	161.2	-173	111.9	-18.7	114.3	Y627 D630 G783 V784 D799 N810	Y627-R646 VanDerWaalsContact CD2-C 3.41Å; Y627-R646 HydrophobicContact CE2-CB 4.48Å; D630-R646 VanDerWaalsContact CG-N 3.34Å; D630-R646 PolarHBondContact OD1-N 3.34Å; D630-R646 PolarHBondContact OD2-N 3.14Å; R646-G783 CarbonylContact O-C 3.5Å; R646-G783 VanDerWaalsContact O-C 3.29Å; R646-G783 VanDerWaalsContact O-CA 3.24Å; R646-G783 WeakPolarHBondContact O-CA 3.19Å; R646-V784 PolarHBondContact O-N 3.07Å; R646-D799 IonicContact CZ-OD2 3.19Å; R646-D799 IonicContact NH1-OD2 2.72Å; R646-D799 PolarHBondContact NH1-OD2 2.88Å; R646-N810 PolarHBondContact NH2-OD1 2.82Å
647	G	68.6	Low	85	Confident	3 Å²	3	37.3 Å²	37.3	3%	0.031	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	88.9	-8.2	-178.5	0	0	0	0	0	116	C609 Y627 I645	C609-G647 WeakPolarHBondContact CB-O 3.44Å; Y627-G647 VanDerWaalsContact CD2-CA 3.46Å; I645-G647 PolarHBondContact O-N 3.12Å
648	G	72.2	Confident	85	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	141.8	174	0	0	0	0	0	112.6	C644 I645 A782 G783	C644-G648 WeakPolarHBondContact CA-O 3.49Å; I645-G648 PolarHBondContact N-O 2.79Å; I645-G648 PolarHBondContact O-N 3.33Å; G648-A782 VanDerWaalsContact CA-O 3.32Å; G648-A782 WeakPolarHBondContact CA-O 3.16Å; G648-A782 PolarHBondContact N-O 3.47Å; G648-A782 VanDerWaalsContact N-O 3.1Å; G648-G783 WeakPolarHBondContact CA-O 3.26Å; G648-G783 PolarHBondContact N-O 2.92Å
649	C	80.4	Confident	84.8	Confident	28 Å²	28	27.8 Å²	27.8	19%	0.189	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	102.7	165.6	-169.3	0	0	0	0	109.5	C609 C634 Y635	C609-C649 HydrophobicContact CB-CB 4.36Å; C609-C649 VanDerWaalsContact SG-CB 3.58Å; C634-C649 HydrophobicContact CB-CB 3.95Å; C634-C649 WeakPolarHBondContact CB-SG 3.31Å; C634-C649 WeakPolarHBondContact SG-CB 3.11Å; C634-C649 CovalentContact SG-SG 2.04Å; C634-C649 PolarHBondContact SG-SG 3.37Å; Y635-C649 PolarHBondContact O-SG 3.44Å; Y635-C649 VanDerWaalsContact O-SG 3.39Å
650	R	81.5	Confident	84.6	Confident	39 Å²	39	26.3 Å²	26.3	15%	0.147	12%	0.121	C	C	.	.			trans	-138.4	152.7	-175	-60.5	-171.3	-177.2	-71.6	-2.5	112	A642 W655 G785 S788 P798	A642-R650 WeakPolarHBondContact CB-O 3.46Å; R650-W655 VanDerWaalsContact NH1-CZ3 3.32Å; R650-G785 PolarHBondContact NH2-O 3.45Å; R650-S788 PolarHBondContact NE-OG 3.13Å; R650-P798 HydrophobicContact CB-CB 3.57Å; R650-P798 HydrophobicContact CB-CG 4.03Å
651	E	88.9	Confident	84.1	Confident	22 Å²	22	22.6 Å²	22.6	10%	0.103	11%	0.109	C	C	.	.			trans	-144.1	159.8	168.3	67.3	76.1	-155	0	0	111.7	T636 R640 A642 D653 G654 W655 T801	T636-E651 HydrophobicContact CG2-CG 4.06Å; R640-E651 HydrophobicContact CB-CG 4.26Å; R640-E651 WeakPolarHBondContact CD-OE1 3.25Å; R640-E651 IonicContact CZ-OE1 3.47Å; R640-E651 IonicContact NE-OE1 2.7Å; R640-E651 IonicContact NH1-OE1 2.77Å; R640-E651 PolarHBondContact NH1-OE1 2.82Å; R640-E651 IonicContact NH1-OE2 3.67Å; A642-E651 HydrophobicContact CB-CB 4.4Å; E651-D653 PolarHBondContact O-N 2.97Å; E651-D653 PolarHBondContact OE2-N 3.17Å; E651-G654 PolarHBondContact O-N 2.85Å; E651-G654 PolarHBondContact OE1-N 2.03Å; E651-W655 WeakPolarHBondContact O-CB 3.06Å; E651-W655 PolarHBondContact O-N 2.82Å; E651-T801 WeakPolarHBondContact CA-OG1 3.48Å; E651-T801 HydrophobicContact CB-CG2 4.31Å
652	A	91.5	Very high	83.7	Confident	5 Å²	5	24.9 Å²	24.9	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-42.3	-165.9	0	0	0	0	0	116.3	W655 C656 L666 L723 V797 T801	A652-W655 PolarHBondContact O-N 2.03Å; A652-C656 PolarHBondContact O-N 2.97Å; A652-L666 HydrophobicContact CB-CD1 3.73Å; A652-L666 HydrophobicContact CB-CD2 4.35Å; A652-L723 HydrophobicContact CB-CD1 3.85Å; A652-V797 HydrophobicContact CB-CG1 4.25Å; A652-T801 HydrophobicContact CB-CG2 4Å
653	D	92.6	Very high	83.6	Confident	19 Å²	19	27.5 Å²	27.5	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-75	-38.9	-176.7	176.5	84.2	0	0	0	111.6	R640 E651 W655 C656 R657 R665 L666	R640-D653 IonicContact CZ-OD2 3.3Å; R640-D653 VanDerWaalsContact CZ-OD2 3.27Å; R640-D653 VanDerWaalsContact NH1-CG 3.31Å; R640-D653 IonicContact NH1-OD2 3.66Å; R640-D653 PolarHBondContact NH1-OD2 2.62Å; R640-D653 IonicContact NH2-OD2 3.84Å; R640-D653 PolarHBondContact NH2-OD2 3.43Å; E651-D653 PolarHBondContact O-N 2.97Å; E651-D653 PolarHBondContact OE2-N 3.17Å; D653-W655 VanDerWaalsContact C-N 3.32Å; D653-C656 WeakPolarHBondContact O-CB 3.42Å; D653-C656 PolarHBondContact O-N 3.4Å; D653-R657 PolarHBondContact O-NH1 3.26Å; D653-R657 IonicContact OD1-NH1 3.95Å; D653-R657 IonicContact OD2-CZ 3.16Å; D653-R657 VanDerWaalsContact OD2-CZ 3.23Å; D653-R657 IonicContact OD2-NH1 2.77Å; D653-R657 PolarHBondContact OD2-NH1 3.26Å; D653-R657 IonicContact OD2-NH2 3.44Å; D653-R657 PolarHBondContact OD2-NH2 2.86Å; D653-R665 WeakPolarHBondContact OD1-CA 3.08Å; D653-R665 WeakPolarHBondContact OD1-CB 3.09Å; D653-R665 VanDerWaalsContact OD1-CD 3.31Å; D653-R665 WeakPolarHBondContact OD1-CD 3.26Å; D653-L666 HydrophobicContact CB-CB 3.66Å; D653-L666 PolarHBondContact OD1-N 2.92Å
654	G	88.3	Confident	83.7	Confident	17 Å²	17	26.7 Å²	26.7	18%	0.175	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-40.4	167.1	0	0	0	0	0	112.4	E651 C656 R657 V658	E651-G654 PolarHBondContact O-N 2.85Å; E651-G654 PolarHBondContact OE1-N 2.03Å; G654-C656 VanDerWaalsContact C-N 3.35Å; G654-C656 PolarHBondContact O-N 3.43Å; G654-R657 WeakPolarHBondContact O-CB 3.01Å; G654-R657 PolarHBondContact O-N 3.07Å; G654-V658 PolarHBondContact O-N 2.98Å
655	W	88.3	Confident	84.1	Confident	17 Å²	17	31.9 Å²	31.9	6%	0.064	15%	0.154	C	C	.	.	H	α-helix	trans	-66.9	-33.5	178.3	-161.2	-126.1	0	0	0	113	R650 E651 A652 D653 R657 V658 L659 L723 L734 A794 P798	R650-W655 VanDerWaalsContact NH1-CZ3 3.32Å; E651-W655 WeakPolarHBondContact O-CB 3.06Å; E651-W655 PolarHBondContact O-N 2.82Å; A652-W655 PolarHBondContact O-N 2.03Å; D653-W655 VanDerWaalsContact C-N 3.32Å; W655-R657 PolarHBondContact O-N 3.09Å; W655-V658 HydrophobicContact CD2-CB 4.48Å; W655-V658 HydrophobicContact CE3-CB 3.78Å; W655-V658 HydrophobicContact CE3-CG1 4.14Å; W655-V658 HydrophobicContact CE3-CG2 3.76Å; W655-V658 HydrophobicContact CH2-CG1 4.32Å; W655-V658 HydrophobicContact CZ3-CB 3.94Å; W655-V658 HydrophobicContact CZ3-CG1 3.75Å; W655-V658 HydrophobicContact CZ3-CG2 4.02Å; W655-V658 PolarHBondContact O-N 2.03Å; W655-V658 VanDerWaalsContact O-N 3.07Å; W655-L659 HydrophobicContact CG-CD1 4.44Å; W655-L659 WeakPolarHBondContact O-CG 3.35Å; W655-L659 PolarHBondContact O-N 3.17Å; W655-L723 HydrophobicContact CB-CD2 4.04Å; W655-L723 HydrophobicContact CG-CD2 4.19Å; W655-L734 HydrophobicContact CH2-CD1 4.22Å; W655-L734 HydrophobicContact CZ2-CD1 4.26Å; W655-A794 HydrophobicContact CZ2-CB 4.02Å; W655-A794 PolarHBondContact NE1-O 2.89Å; W655-P798 HydrophobicContact CB-CG 3.58Å; W655-P798 VanDerWaalsContact CD1-CG 3.49Å; W655-P798 HydrophobicContact CD2-CG 4.04Å; W655-P798 HydrophobicContact CG-CG 3.42Å; W655-P798 VanDerWaalsContact CG-CG 3.42Å
656	C	90.6	Very high	84.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-35.8	168.4	-75.3	0	0	0	0	113	A652 D653 G654 L659 W660 A664 C725	A652-C656 PolarHBondContact O-N 2.97Å; D653-C656 WeakPolarHBondContact O-CB 3.42Å; D653-C656 PolarHBondContact O-N 3.4Å; G654-C656 VanDerWaalsContact C-N 3.35Å; G654-C656 PolarHBondContact O-N 3.43Å; C656-L659 PolarHBondContact O-N 3.39Å; C656-W660 PolarHBondContact O-N 3.19Å; C656-A664 HydrophobicContact CB-CB 4.42Å; C656-A664 WeakPolarHBondContact O-CB 3.05Å; C656-C725 WeakPolarHBondContact CA-SG 3.32Å; C656-C725 HydrophobicContact CB-CB 3.77Å; C656-C725 WeakPolarHBondContact CB-SG 3.44Å; C656-C725 VanDerWaalsContact SG-CA 3.58Å; C656-C725 WeakPolarHBondContact SG-CB 3.27Å; C656-C725 CovalentContact SG-SG 2.04Å; C656-C725 PolarHBondContact SG-SG 2.87Å
657	R	86.4	Confident	85.9	Confident	33 Å²	33	33.3 Å²	33.3	13%	0.125	17%	0.166	C	C	.	.	H	α-helix	trans	-69.9	-32.9	175	-85.7	177.6	-70.1	-60.3	5.3	113.7	E638 R640 D653 G654 W655 G661 A664	E638-R657 IonicContact OE1-CZ 2.78Å; E638-R657 IonicContact OE1-NE 3.19Å; E638-R657 PolarHBondContact OE1-NE 2.76Å; E638-R657 IonicContact OE1-NH2 3.73Å; E638-R657 PolarHBondContact OE1-NH2 3.48Å; E638-R657 IonicContact OE2-CZ 3.59Å; E638-R657 IonicContact OE2-NE 2.73Å; E638-R657 IonicContact OE2-NH2 3.88Å; E638-R657 PolarHBondContact OE2-NH2 3.01Å; R640-R657 VanDerWaalsContact NH2-NH2 3.13Å; D653-R657 PolarHBondContact O-NH1 3.26Å; D653-R657 IonicContact OD1-NH1 3.95Å; D653-R657 IonicContact OD2-CZ 3.16Å; D653-R657 VanDerWaalsContact OD2-CZ 3.23Å; D653-R657 IonicContact OD2-NH1 2.77Å; D653-R657 PolarHBondContact OD2-NH1 3.26Å; D653-R657 IonicContact OD2-NH2 3.44Å; D653-R657 PolarHBondContact OD2-NH2 2.86Å; G654-R657 WeakPolarHBondContact O-CB 3.01Å; G654-R657 PolarHBondContact O-N 3.07Å; W655-R657 PolarHBondContact O-N 3.09Å; R657-G661 WeakPolarHBondContact CA-O 3.49Å; R657-G661 WeakPolarHBondContact CG-O 2.98Å; R657-G661 CarbonylContact O-C 3.06Å; R657-G661 VanDerWaalsContact O-CA 3.27Å; R657-G661 WeakPolarHBondContact O-CA 3.29Å; R657-G661 PolarHBondContact O-N 2.95Å; R657-A664 WeakPolarHBondContact CG-O 2.98Å; R657-A664 PolarHBondContact NH1-O 3Å; R657-A664 VanDerWaalsContact NH1-O 3.13Å
658	V	78.7	Confident	87	Confident	61 Å²	61	36 Å²	36	37%	0.37	18%	0.179	S	C	.	.	H	α-helix	trans	-71.4	-38.7	174.9	-172.6	0	0	0	0	110.8	G654 W655 L734	G654-V658 PolarHBondContact O-N 2.98Å; W655-V658 HydrophobicContact CD2-CB 4.48Å; W655-V658 HydrophobicContact CE3-CB 3.78Å; W655-V658 HydrophobicContact CE3-CG1 4.14Å; W655-V658 HydrophobicContact CE3-CG2 3.76Å; W655-V658 HydrophobicContact CH2-CG1 4.32Å; W655-V658 HydrophobicContact CZ3-CB 3.94Å; W655-V658 HydrophobicContact CZ3-CG1 3.75Å; W655-V658 HydrophobicContact CZ3-CG2 4.02Å; W655-V658 PolarHBondContact O-N 2.03Å; W655-V658 VanDerWaalsContact O-N 3.07Å; V658-L734 HydrophobicContact CG1-CD1 3.81Å; V658-L734 HydrophobicContact CG1-CG 4.27Å
659	L	80	Confident	87.7	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-72.4	-42	-179.8	-72.1	166.8	0	0	0	113.6	W655 C656 L723 A732 M733 L734 L755 Y757 A794	W655-L659 HydrophobicContact CG-CD1 4.44Å; W655-L659 WeakPolarHBondContact O-CG 3.35Å; W655-L659 PolarHBondContact O-N 3.17Å; C656-L659 PolarHBondContact O-N 3.39Å; L659-L723 HydrophobicContact CD1-CD2 3.73Å; L659-A732 CarbonylContact O-C 3.59Å; L659-A732 VanDerWaalsContact O-CA 3.25Å; L659-A732 WeakPolarHBondContact O-CA 3.43Å; L659-M733 PolarHBondContact O-N 2.9Å; L659-L734 HydrophobicContact CD2-CB 4.31Å; L659-L734 HydrophobicContact CD2-CD1 3.84Å; L659-L734 HydrophobicContact CG-CD1 4.49Å; L659-L755 HydrophobicContact CD2-CD1 4.44Å; L659-Y757 HydrophobicContact CD2-CE2 3.59Å; L659-A794 HydrophobicContact CD2-CB 4.5Å; L659-A794 WeakPolarHBondContact CD2-O 3.38Å
660	W	84.5	Confident	88.1	Confident	23 Å²	23	47.2 Å²	47.2	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-122.5	-14.6	-167.5	-64.6	101.9	0	0	0	115.2	C656 A664 H727 E730 A732 L755	C656-W660 PolarHBondContact O-N 3.19Å; W660-A664 HydrophobicContact CB-CB 3.55Å; W660-A664 HydrophobicContact CG-CB 4.42Å; W660-H727 HydrophobicContact CB-CB 3.93Å; W660-H727 HydrophobicContact CD2-CB 4.33Å; W660-H727 AromaticContact CD2-CG 3.98Å; W660-H727 AromaticContact CE3-CE1 3.7Å; W660-H727 AromaticContact CE3-CG 3.9Å; W660-H727 AromaticContact CE3-ND1 3.51Å; W660-H727 HydrophobicContact CG-CB 4.11Å; W660-H727 AromaticContact CH2-CE1 3.96Å; W660-H727 AromaticContact CH2-NE2 3.96Å; W660-H727 AromaticContact CZ3-CE1 3.48Å; W660-H727 VanDerWaalsContact CZ3-CE1 3.48Å; W660-H727 WeakPolarHBondContact CZ3-CE1 3.4Å; W660-H727 AromaticContact CZ3-ND1 3.79Å; W660-H727 AromaticContact CZ3-NE2 3.92Å; W660-E730 WeakPolarHBondContact O-CB 3.45Å; W660-A732 HydrophobicContact CE3-CB 4.13Å; W660-A732 HydrophobicContact CZ3-CB 4.15Å; W660-L755 HydrophobicContact CH2-CD1 4.25Å; W660-L755 HydrophobicContact CH2-CD2 3.66Å; W660-L755 HydrophobicContact CH2-CG 4.06Å; W660-L755 HydrophobicContact CZ2-CD1 3.8Å; W660-L755 HydrophobicContact CZ2-CD2 3.63Å; W660-L755 HydrophobicContact CZ2-CG 3.51Å
661	G	81.2	Confident	88.5	Confident	5 Å²	5	45.5 Å²	45.5	5%	0.052	22%	0.22	C	C	.	.			trans	107.6	174.8	-177.5	0	0	0	0	0	114.9	R657 T663 A664 M733	R657-G661 WeakPolarHBondContact CA-O 3.49Å; R657-G661 WeakPolarHBondContact CG-O 2.98Å; R657-G661 CarbonylContact O-C 3.06Å; R657-G661 VanDerWaalsContact O-CA 3.27Å; R657-G661 WeakPolarHBondContact O-CA 3.29Å; R657-G661 PolarHBondContact O-N 2.95Å; G661-T663 VanDerWaalsContact C-N 3.26Å; G661-T663 PolarHBondContact O-N 2.93Å; G661-T663 VanDerWaalsContact O-N 3.1Å; G661-A664 VanDerWaalsContact O-CB 3.32Å; G661-A664 WeakPolarHBondContact O-CB 3.27Å; G661-A664 PolarHBondContact O-N 3.49Å; G661-M733 WeakPolarHBondContact CA-SD 3.17Å
662	K	85	Confident	88.6	Confident	188 Å²	188	45.2 Å²	45.2	82%	0.817	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-25	-161.3	-67.6	-175.5	179.3	-179.3	0	114.8	R665	K662-R665 PolarHBondContact O-NH1 3.13Å
663	T	90.3	Very high	88.3	Confident	54 Å²	54	49 Å²	49	33%	0.331	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.5	179	84.4	0	0	0	0	112.8	G661 R665 Q728 E730	G661-T663 VanDerWaalsContact C-N 3.26Å; G661-T663 PolarHBondContact O-N 2.93Å; G661-T663 VanDerWaalsContact O-N 3.1Å; T663-R665 PolarHBondContact O-NH1 3.1Å; T663-Q728 VanDerWaalsContact OG1-CG 3.27Å; T663-Q728 WeakPolarHBondContact OG1-CG 3.25Å; T663-E730 WeakPolarHBondContact CB-OE1 3.01Å; T663-E730 WeakPolarHBondContact CG2-OE1 3.11Å; T663-E730 PolarHBondContact N-OE1 2.04Å; T663-E730 PolarHBondContact OG1-OE1 3.3Å; T663-E730 PolarHBondContact OG1-OE2 2.94Å
664	A	92.2	Very high	88	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.			trans	-68.9	146.6	-173.6	0	0	0	0	0	113.7	C656 R657 W660 G661 H726 H727	C656-A664 HydrophobicContact CB-CB 4.42Å; C656-A664 WeakPolarHBondContact O-CB 3.05Å; R657-A664 WeakPolarHBondContact CG-O 2.98Å; R657-A664 PolarHBondContact NH1-O 3Å; R657-A664 VanDerWaalsContact NH1-O 3.13Å; W660-A664 HydrophobicContact CB-CB 3.55Å; W660-A664 HydrophobicContact CG-CB 4.42Å; G661-A664 VanDerWaalsContact O-CB 3.32Å; G661-A664 WeakPolarHBondContact O-CB 3.27Å; G661-A664 PolarHBondContact O-N 3.49Å; A664-H726 CarbonylContact C-O 3.52Å; A664-H726 WeakPolarHBondContact CA-O 2.96Å; A664-H726 WeakPolarHBondContact CB-O 3.06Å; A664-H727 HydrophobicContact CB-CB 3.96Å
665	R	94.6	Very high	88	Confident	109 Å²	109	50 Å²	50	41%	0.411	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	159.2	-175.7	-64	-63.1	178.7	-84.9	4.7	110.4	D653 K662 T663 C725 H726	D653-R665 WeakPolarHBondContact OD1-CA 3.08Å; D653-R665 WeakPolarHBondContact OD1-CB 3.09Å; D653-R665 VanDerWaalsContact OD1-CD 3.31Å; D653-R665 WeakPolarHBondContact OD1-CD 3.26Å; K662-R665 PolarHBondContact O-NH1 3.13Å; T663-R665 PolarHBondContact O-NH1 3.1Å; R665-C725 CarbonylContact O-C 3.44Å; R665-C725 VanDerWaalsContact O-CA 3.23Å; R665-C725 WeakPolarHBondContact O-CA 3.08Å; R665-H726 PolarHBondContact N-O 2.74Å; R665-H726 PolarHBondContact O-N 3.44Å
666	L	94.8	Very high	87.5	Confident	64 Å²	64	51.9 Å²	51.9	34%	0.335	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	136.9	170.1	-176.6	61.9	0	0	0	110.5	A652 D653 F672 L723	A652-L666 HydrophobicContact CB-CD1 3.73Å; A652-L666 HydrophobicContact CB-CD2 4.35Å; D653-L666 HydrophobicContact CB-CB 3.66Å; D653-L666 PolarHBondContact OD1-N 2.92Å; L666-F672 HydrophobicContact CD1-CE2 3.76Å; L666-F672 HydrophobicContact CD1-CZ 3.46Å; L666-F672 VanDerWaalsContact CD1-CZ 3.46Å; L666-F672 HydrophobicContact CG-CE2 4.39Å; L666-L723 HydrophobicContact CD1-CD1 3.65Å
667	A	94.2	Very high	86.2	Confident	8 Å²	8	53.1 Å²	53.1	7%	0.066	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-70	152.6	179.3	0	0	0	0	0	112.8	C671 F672 W724 C752	A667-C671 HydrophobicContact CB-CB 3.82Å; A667-F672 HydrophobicContact CB-CE2 4.31Å; A667-W724 HydrophobicContact CB-CB 3.58Å; A667-W724 VanDerWaalsContact CB-O 3.24Å; A667-W724 WeakPolarHBondContact CB-O 3.23Å; A667-W724 PolarHBondContact N-O 2.94Å; A667-C752 HydrophobicContact CB-CB 3.7Å
668	D	90.6	Very high	84.7	Confident	59 Å²	59	58.7 Å²	58.7	32%	0.316	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-48.5	139.6	164.1	-73.2	-49.6	0	0	0	110.5	H670 C671 H726 I745 R750	D668-H670 PolarHBondContact O-N 3.37Å; D668-C671 PolarHBondContact O-N 3.37Å; D668-H726 PolarHBondContact N-NE2 2.78Å; D668-H726 IonicContact OD2-CE1 3.77Å; D668-H726 IonicContact OD2-NE2 3.3Å; D668-H726 PolarHBondContact OD2-NE2 3.3Å; D668-I745 HydrophobicContact CB-CD1 3.64Å; D668-R750 IonicContact OD1-NH1 3.2Å; D668-R750 IonicContact OD2-NH1 2.65Å; D668-R750 PolarHBondContact OD2-NH1 3.48Å
669	K	88	Confident	83.3	Confident	165 Å²	165	60.3 Å²	60.3	72%	0.717	29%	0.288	S	S	*	.	H	α-helix	trans	-49.4	-32.2	-174	-68.3	-176.2	178.7	179.9	0	113.9	C671 F672 Y673	K669-C671 PolarHBondContact O-N 2.72Å; K669-C671 VanDerWaalsContact O-N 3.13Å; K669-F672 WeakPolarHBondContact O-CB 3.2Å; K669-F672 PolarHBondContact O-N 3.11Å; K669-Y673 HydrophobicContact CB-CE1 4.14Å; K669-Y673 WeakPolarHBondContact O-CD1 3.43Å; K669-Y673 WeakPolarHBondContact O-CE1 3.45Å
670	H	87.6	Confident	82.1	Confident	101 Å²	101	70.8 Å²	70.8	47%	0.468	33%	0.327	S	S	.	.	H	α-helix	trans	-51.5	-29.7	175.3	-66.1	100.2	0	0	0	114.9	D668 Y673 I745	D668-H670 PolarHBondContact O-N 3.37Å; H670-Y673 HydrophobicContact CB-CE2 4.33Å; H670-Y673 AromaticContact CD2-CE2 3.39Å; H670-Y673 WeakPolarHBondContact CD2-CE2 3.29Å; H670-Y673 AromaticContact CD2-CZ 3.96Å; H670-Y673 WeakPolarHBondContact O-CB 3.32Å; H670-Y673 PolarHBondContact O-N 2.77Å; H670-I745 HydrophobicContact CB-CG2 4.5Å
671	C	91	Very high	80.7	Confident	3 Å²	3	75 Å²	75	2%	0.02	35%	0.346	C	S	.	.	H	α-helix	trans	-73.7	-34.8	178.1	-59.2	0	0	0	0	112.4	A667 D668 K669 Y673 E674 W724 C752	A667-C671 HydrophobicContact CB-CB 3.82Å; D668-C671 PolarHBondContact O-N 3.37Å; K669-C671 PolarHBondContact O-N 2.72Å; K669-C671 VanDerWaalsContact O-N 3.13Å; C671-Y673 PolarHBondContact O-N 3Å; C671-E674 WeakPolarHBondContact O-CB 3.32Å; C671-E674 WeakPolarHBondContact O-CG 3.06Å; C671-E674 PolarHBondContact O-N 3.13Å; C671-W724 HydrophobicContact CB-CB 3.75Å; C671-W724 HydrophobicContact CB-CD2 3.91Å; C671-W724 HydrophobicContact CB-CE3 4.11Å; C671-W724 HydrophobicContact CB-CG 3.76Å; C671-W724 PolarHBondContact O-NE1 2.88Å; C671-C752 HydrophobicContact CB-CB 3.95Å; C671-C752 WeakPolarHBondContact CB-SG 3.26Å; C671-C752 WeakPolarHBondContact SG-CB 3.17Å; C671-C752 CovalentContact SG-SG 2.03Å; C671-C752 PolarHBondContact SG-SG 2.89Å
672	F	91	Very high	79.8	Confident	15 Å²	15	80.5 Å²	80.5	7%	0.066	38%	0.384	C	S	.	.	H	α-helix	trans	-67	-16.1	176.4	-69	-89	0	0	0	112.9	L666 A667 K669 E674 N675 T718 R722 L723 W724 V797	L666-F672 HydrophobicContact CD1-CE2 3.76Å; L666-F672 HydrophobicContact CD1-CZ 3.46Å; L666-F672 VanDerWaalsContact CD1-CZ 3.46Å; L666-F672 HydrophobicContact CG-CE2 4.39Å; A667-F672 HydrophobicContact CB-CE2 4.31Å; K669-F672 WeakPolarHBondContact O-CB 3.2Å; K669-F672 PolarHBondContact O-N 3.11Å; F672-E674 PolarHBondContact O-N 3Å; F672-N675 VanDerWaalsContact O-CB 3.25Å; F672-N675 WeakPolarHBondContact O-CB 3.24Å; F672-N675 PolarHBondContact O-N 2.9Å; F672-T718 WeakPolarHBondContact CD1-O 3.32Å; F672-R722 WeakPolarHBondContact CE1-O 3.16Å; F672-L723 HydrophobicContact CZ-CD1 4.07Å; F672-W724 AromaticContact CD1-CD1 3.95Å; F672-W724 HydrophobicContact CD2-CB 4.44Å; F672-W724 HydrophobicContact CE1-CB 4.44Å; F672-W724 HydrophobicContact CE2-CB 4.02Å; F672-W724 HydrophobicContact CZ-CB 4.01Å; F672-V797 HydrophobicContact CE1-CG2 3.89Å
673	Y	85.2	Confident	79.3	Confident	86 Å²	86	77 Å²	77	34%	0.337	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.8	-20.9	176.1	-54.4	-4.6	0	0	0	111.8	K669 H670 C671 N675 E676 W715	K669-Y673 HydrophobicContact CB-CE1 4.14Å; K669-Y673 WeakPolarHBondContact O-CD1 3.43Å; K669-Y673 WeakPolarHBondContact O-CE1 3.45Å; H670-Y673 HydrophobicContact CB-CE2 4.33Å; H670-Y673 AromaticContact CD2-CE2 3.39Å; H670-Y673 WeakPolarHBondContact CD2-CE2 3.29Å; H670-Y673 AromaticContact CD2-CZ 3.96Å; H670-Y673 WeakPolarHBondContact O-CB 3.32Å; H670-Y673 PolarHBondContact O-N 2.77Å; C671-Y673 PolarHBondContact O-N 3Å; Y673-N675 PolarHBondContact O-N 2.8Å; Y673-E676 PolarHBondContact O-N 3.39Å; Y673-W715 AromaticContact CD1-CH2 3.17Å; Y673-W715 HydrophobicContact CD1-CH2 3.17Å; Y673-W715 AromaticContact CD1-CZ2 3.63Å; Y673-W715 HydrophobicContact CD1-CZ2 3.63Å; Y673-W715 AromaticContact CD1-CZ3 3.77Å; Y673-W715 HydrophobicContact CD1-CZ3 3.77Å; Y673-W715 AromaticContact CD2-CH2 3.82Å; Y673-W715 HydrophobicContact CD2-CH2 3.82Å; Y673-W715 AromaticContact CE1-CH2 3.18Å; Y673-W715 HydrophobicContact CE1-CH2 3.18Å; Y673-W715 AromaticContact CE1-CZ2 3.15Å; Y673-W715 HydrophobicContact CE1-CZ2 3.15Å; Y673-W715 HydrophobicContact CE1-CZ3 4.18Å; Y673-W715 AromaticContact CE2-CH2 3.79Å; Y673-W715 HydrophobicContact CE2-CH2 3.79Å; Y673-W715 HydrophobicContact CE2-CZ2 4.23Å; Y673-W715 AromaticContact CG-CH2 3.54Å; Y673-W715 HydrophobicContact CG-CH2 3.54Å; Y673-W715 HydrophobicContact CG-CZ2 4.39Å; Y673-W715 HydrophobicContact CG-CZ3 4.03Å; Y673-W715 AromaticContact CZ-CH2 3.5Å; Y673-W715 VanDerWaalsContact CZ-CH2 3.5Å; Y673-W715 AromaticContact CZ-CZ2 3.5Å; Y673-W715 VanDerWaalsContact CZ-CZ2 3.5Å
674	E	85	Confident	78.8	Confident	56 Å²	56	76.7 Å²	76.7	26%	0.262	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-65.1	-24.3	171.6	-63.5	-78.8	163.2	0	0	112.1	C671 F672 E676 A688 W724 R743	C671-E674 WeakPolarHBondContact O-CB 3.32Å; C671-E674 WeakPolarHBondContact O-CG 3.06Å; C671-E674 PolarHBondContact O-N 3.13Å; F672-E674 PolarHBondContact O-N 3Å; E674-E676 PolarHBondContact O-N 2.95Å; E674-A688 HydrophobicContact CB-CB 3.69Å; E674-A688 WeakPolarHBondContact O-CB 3.21Å; E674-W724 HydrophobicContact CB-CH2 4.46Å; E674-W724 HydrophobicContact CB-CZ2 3.71Å; E674-W724 HydrophobicContact CG-CH2 4.36Å; E674-W724 HydrophobicContact CG-CZ2 4.05Å; E674-R743 HydrophobicContact CG-CG 4.07Å; E674-R743 WeakPolarHBondContact OE1-CD 3.35Å; E674-R743 IonicContact OE1-CZ 3.88Å; E674-R743 IonicContact OE1-NE 2.88Å; E674-R743 PolarHBondContact OE1-NE 3.16Å; E674-R743 IonicContact OE2-CZ 3.25Å; E674-R743 VanDerWaalsContact OE2-CZ 3.25Å; E674-R743 IonicContact OE2-NE 3Å; E674-R743 PolarHBondContact OE2-NE 2.76Å; E674-R743 IonicContact OE2-NH2 2.7Å; E674-R743 PolarHBondContact OE2-NH2 2.64Å
675	N	88.9	Confident	78.4	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-73.7	-12.8	177.4	-56.4	-9.9	0	0	0	112	F672 Y673 C712 T718 R722 W724	F672-N675 VanDerWaalsContact O-CB 3.25Å; F672-N675 WeakPolarHBondContact O-CB 3.24Å; F672-N675 PolarHBondContact O-N 2.9Å; Y673-N675 PolarHBondContact O-N 2.8Å; N675-C712 WeakPolarHBondContact O-CB 3.31Å; N675-C712 PolarHBondContact O-SG 3.24Å; N675-C712 VanDerWaalsContact O-SG 3.33Å; N675-T718 PolarHBondContact ND2-O 2.63Å; N675-R722 PolarHBondContact ND2-N 2.97Å; N675-R722 PolarHBondContact ND2-O 3.38Å; N675-W724 PolarHBondContact OD1-NE1 3.5Å
676	E	78.4	Confident	77.7	Confident	56 Å²	56	74.9 Å²	74.9	26%	0.262	37%	0.374	S	S	.	.			trans	-92.3	117.2	176.1	-167.3	-176.2	179.7	0	0	111.9	Y673 E674 K678 W715 T718	Y673-E676 PolarHBondContact O-N 3.39Å; E674-E676 PolarHBondContact O-N 2.95Å; E676-K678 HydrophobicContact CG-CB 4.26Å; E676-W715 VanDerWaalsContact OE2-CE3 3.29Å; E676-W715 WeakPolarHBondContact OE2-CZ3 3.27Å; E676-T718 HydrophobicContact CB-CG2 3.93Å
677	V	62.2	Low	77.3	Confident	26 Å²	26	71.9 Å²	71.9	16%	0.158	36%	0.358	C	S	.	.			trans	-80.5	-29.2	-178.3	-176.9	0	0	0	0	112.6	S679 R680 V684 A711	V677-S679 PolarHBondContact O-N 3.37Å; V677-R680 PolarHBondContact O-N 2.8Å; V677-V684 HydrophobicContact CG1-CG2 4.3Å; V677-V684 HydrophobicContact CG2-CB 4.03Å; V677-V684 HydrophobicContact CG2-CG1 3.66Å; V677-V684 HydrophobicContact CG2-CG2 3.9Å; V677-A711 HydrophobicContact CB-CB 3.84Å; V677-A711 HydrophobicContact CG2-CB 3.5Å
678	K	55.8	Low	77	Confident	150 Å²	150	71.5 Å²	71.5	65%	0.652	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.7	-162.1	-78.3	178.2	173.5	171.1	0	116.7	E676 E713	E676-K678 HydrophobicContact CG-CB 4.26Å; K678-E713 PolarHBondContact NZ-O 3.22Å
679	S	49.3	Very low	76.8	Confident	96 Å²	96	68.7 Å²	68.7	67%	0.671	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-14.7	-172.7	-170.9	0	0	0	0	116.4	V677	V677-S679 PolarHBondContact O-N 3.37Å
680	R	53.3	Low	76.8	Confident	222 Å²	222	61 Å²	61	84%	0.838	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	-17.5	-165.5	-69.3	-171.1	178.9	172.2	0.2	120.2	V677	V677-R680 PolarHBondContact O-N 2.8Å
681	K	55.5	Low	76.4	Confident	111 Å²	111	56.4 Å²	56.4	48%	0.483	29%	0.287	S	S	.	.			trans	-140.5	149.3	-178.2	-62.8	179.8	-171.1	173.7	0	110.8	N683 D685	K681-N683 VanDerWaalsContact C-N 3.25Å; K681-N683 WeakPolarHBondContact CB-O 3.28Å; K681-N683 PolarHBondContact O-N 2.88Å; K681-D685 IonicContact NZ-OD2 2.7Å; K681-D685 PolarHBondContact NZ-OD2 2.67Å
682	S	63.1	Low	75.7	Confident	121 Å²	121	57 Å²	57	85%	0.846	29%	0.291	S	S	*	.	S	Bend	trans	-70.5	-22.9	172.5	58.6	0	0	0	0	113.3
683	N	74.4	Confident	74.6	Confident	116 Å²	116	60.4 Å²	60.4	62%	0.62	31%	0.307	S	S	*	.	S	Bend	trans	-122.3	145.5	-174.3	-57.1	19	0	0	0	108.8	K681	K681-N683 VanDerWaalsContact C-N 3.25Å; K681-N683 WeakPolarHBondContact CB-O 3.28Å; K681-N683 PolarHBondContact O-N 2.88Å
684	V	79.7	Confident	73.7	Confident	47 Å²	47	56.8 Å²	56.8	29%	0.285	29%	0.293	S	S	.	.			trans	-64.5	142.8	173.6	-171.4	0	0	0	0	110.2	V677 N689 G709 A711	V677-V684 HydrophobicContact CG1-CG2 4.3Å; V677-V684 HydrophobicContact CG2-CB 4.03Å; V677-V684 HydrophobicContact CG2-CG1 3.66Å; V677-V684 HydrophobicContact CG2-CG2 3.9Å; V684-N689 HydrophobicContact CG1-CB 3.9Å; V684-G709 WeakPolarHBondContact CB-O 3.39Å; V684-G709 WeakPolarHBondContact CG1-O 3.41Å; V684-G709 VanDerWaalsContact CG2-O 3.23Å; V684-G709 WeakPolarHBondContact CG2-O 3.38Å; V684-A711 HydrophobicContact CG2-CB 4.19Å
685	D	83	Confident	72.5	Confident	21 Å²	21	55.5 Å²	55.5	11%	0.112	29%	0.289	C	S	.	.			trans	-72.9	134.4	175	-163	-72.8	0	0	0	110.1	K681 V687 A688 N689 Q741 R743	K681-D685 IonicContact NZ-OD2 2.7Å; K681-D685 PolarHBondContact NZ-OD2 2.67Å; D685-V687 PolarHBondContact O-N 3.47Å; D685-V687 PolarHBondContact OD1-N 2.95Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 PolarHBondContact OD1-N 2.91Å; D685-N689 PolarHBondContact O-ND2 3Å; D685-Q741 PolarHBondContact OD1-NE2 2.72Å; D685-Q741 PolarHBondContact OD2-NE2 2.77Å; D685-R743 IonicContact OD2-NH2 3.94Å
686	S	80.5	Confident	71	Confident	49 Å²	49	58.1 Å²	58.1	34%	0.343	30%	0.302	S	S	.	.	S	Bend	trans	-73.1	-13.4	-176.8	52.5	0	0	0	0	113.6	N689 Q739	S686-N689 VanDerWaalsContact C-ND2 3.3Å; S686-N689 PolarHBondContact O-ND2 2.74Å; S686-N689 VanDerWaalsContact O-ND2 3.13Å; S686-Q739 PolarHBondContact OG-NE2 2.67Å
687	V	85.5	Confident	69.8	Low	1 Å²	1	58 Å²	58	1%	0.006	31%	0.308	C	S	.	.	S	Bend	trans	-101.4	-52.5	167.1	-174.5	0	0	0	0	110.9	D685 N689 R722 Q739 Q741 A754 V756	D685-V687 PolarHBondContact O-N 3.47Å; D685-V687 PolarHBondContact OD1-N 2.95Å; V687-N689 PolarHBondContact O-N 3.35Å; V687-N689 VanDerWaalsContact O-N 3.13Å; V687-N689 PolarHBondContact O-ND2 2.78Å; V687-R722 HydrophobicContact CG1-CG 4.04Å; V687-R722 WeakPolarHBondContact O-CB 3.24Å; V687-R722 WeakPolarHBondContact O-CD 3.23Å; V687-R722 VanDerWaalsContact O-CG 3.26Å; V687-R722 WeakPolarHBondContact O-CG 3.15Å; V687-R722 PolarHBondContact O-NE 2.85Å; V687-Q739 HydrophobicContact CG2-CG 3.84Å; V687-Q741 HydrophobicContact CB-CB 3.84Å; V687-Q741 HydrophobicContact CG1-CB 3.72Å; V687-Q741 HydrophobicContact CG2-CB 3.89Å; V687-A754 HydrophobicContact CG1-CB 3.84Å; V687-V756 HydrophobicContact CB-CG2 4.02Å; V687-V756 HydrophobicContact CG1-CG2 3.78Å; V687-V756 HydrophobicContact CG2-CG2 3.81Å
688	A	88.7	Confident	69.5	Low	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-85.9	88.5	-171.7	0	0	0	0	0	111.9	E674 D685 W724	E674-A688 HydrophobicContact CB-CB 3.69Å; E674-A688 WeakPolarHBondContact O-CB 3.21Å; D685-A688 HydrophobicContact CB-CB 3.94Å; D685-A688 PolarHBondContact OD1-N 2.91Å; A688-W724 HydrophobicContact CB-CZ2 3.97Å
689	N	87.1	Confident	69.4	Low	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-151.8	171.5	-173.8	49.5	56.9	0	0	0	112.2	V684 D685 S686 V687 G691 I710 G721 R722	V684-N689 HydrophobicContact CG1-CB 3.9Å; D685-N689 PolarHBondContact O-ND2 3Å; S686-N689 VanDerWaalsContact C-ND2 3.3Å; S686-N689 PolarHBondContact O-ND2 2.74Å; S686-N689 VanDerWaalsContact O-ND2 3.13Å; V687-N689 PolarHBondContact O-N 3.35Å; V687-N689 VanDerWaalsContact O-N 3.13Å; V687-N689 PolarHBondContact O-ND2 2.78Å; N689-G691 PolarHBondContact O-N 2.92Å; N689-G691 WeakPolarHBondContact OD1-CA 3.49Å; N689-G691 PolarHBondContact OD1-N 2.94Å; N689-G691 VanDerWaalsContact OD1-N 3.11Å; N689-G691 PolarHBondContact OD1-O 3.13Å; N689-I710 WeakPolarHBondContact CB-O 3.43Å; N689-G721 CarbonylContact O-C 3.51Å; N689-G721 WeakPolarHBondContact O-CA 3.49Å; N689-R722 PolarHBondContact O-N 2.91Å; N689-R722 PolarHBondContact OD1-NH2 3.02Å
690	C	87.6	Confident	69.8	Low	5 Å²	5	56.6 Å²	56.6	3%	0.034	29%	0.292	C	S	.	.	S	Bend	trans	-90	42	167.5	-85.2	0	0	0	0	111.4	I710 C712 D717 N778 G811	C690-I710 HydrophobicContact CB-CG2 4.44Å; C690-I710 PolarHBondContact N-O 3.04Å; C690-C712 HydrophobicContact CB-CB 4.08Å; C690-C712 WeakPolarHBondContact CB-SG 3.48Å; C690-C712 PolarHBondContact N-SG 3.32Å; C690-C712 WeakPolarHBondContact SG-CA 3.34Å; C690-C712 WeakPolarHBondContact SG-CB 3.37Å; C690-C712 CovalentContact SG-SG 2.04Å; C690-C712 PolarHBondContact SG-SG 2.94Å; C690-D717 PolarHBondContact SG-O 2.83Å; C690-N778 PolarHBondContact O-ND2 3.5Å; C690-N778 VanDerWaalsContact O-ND2 3.08Å; C690-G811 WeakPolarHBondContact CB-O 3.22Å; C690-G811 PolarHBondContact SG-O 3.3Å
691	G	79.4	Confident	69.7	Low	4 Å²	4	51.8 Å²	51.8	4%	0.041	27%	0.273	C	S	.	.			trans	89.3	-163	-175.7	0	0	0	0	0	112.8	N689 G709 I710 N778 M796	N689-G691 PolarHBondContact O-N 2.92Å; N689-G691 WeakPolarHBondContact OD1-CA 3.49Å; N689-G691 PolarHBondContact OD1-N 2.94Å; N689-G691 VanDerWaalsContact OD1-N 3.11Å; N689-G691 PolarHBondContact OD1-O 3.13Å; G691-G709 WeakPolarHBondContact O-CA 3.46Å; G691-I710 PolarHBondContact O-N 3.4Å; G691-N778 WeakPolarHBondContact CA-ND2 3.44Å; G691-M796 VanDerWaalsContact N-CE 3.31Å
692	V	75.1	Confident	69.7	Low	15 Å²	15	50.7 Å²	50.7	9%	0.091	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-129.8	145.6	-172.2	-69.4	0	0	0	0	112.7	R694 W707 T708 N778	V692-R694 PolarHBondContact O-N 3.07Å; V692-R694 VanDerWaalsContact O-N 3.11Å; V692-W707 HydrophobicContact CB-CB 4.41Å; V692-W707 HydrophobicContact CG2-CE3 4.05Å; V692-T708 WeakPolarHBondContact CA-O 3.44Å; V692-N778 PolarHBondContact O-OD1 3.31Å
693	H	68.8	Low	69.7	Low	87 Å²	87	47.2 Å²	47.2	40%	0.403	24%	0.242	S	C	.	.			trans	-68.9	105.8	168.1	-78	-67.8	0	0	0	109.3	P695 T708	H693-P695 WeakPolarHBondContact O-CD 3.24Å; H693-T708 PolarHBondContact N-O 3.16Å
694	R	65.5	Low	69.2	Low	10 Å²	10	42.1 Å²	42.1	4%	0.038	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-72.7	116.4	175.5	-53.5	-174.4	-172.9	-151.7	6.1	108.8	V692 W707 V760 Q776 A779 T791	V692-R694 PolarHBondContact O-N 3.07Å; V692-R694 VanDerWaalsContact O-N 3.11Å; R694-W707 HydrophobicContact CB-CE3 4.5Å; R694-W707 HydrophobicContact CB-CZ3 4.16Å; R694-W707 HydrophobicContact CG-CE3 4.43Å; R694-W707 HydrophobicContact CG-CZ3 4.04Å; R694-V760 PolarHBondContact NH1-O 3.14Å; R694-Q776 HydrophobicContact CB-CB 4.31Å; R694-A779 PolarHBondContact NH2-O 2.89Å; R694-T791 PolarHBondContact NH2-O 3.2Å
695	P	60.4	Low	68.7	Low	28 Å²	28	44 Å²	44	18%	0.182	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-69.9	154.9	-177.8	27.4	-33.3	0	0	0	111.9	H693 N699 R700 W707	H693-P695 WeakPolarHBondContact O-CD 3.24Å; P695-N699 HydrophobicContact CB-CB 4.26Å; P695-R700 HydrophobicContact CG-CB 4.43Å; P695-R700 HydrophobicContact CG-CG 4.14Å; P695-R700 PolarHBondContact O-NE 3.33Å; P695-R700 VanDerWaalsContact O-NE 3.1Å; P695-R700 PolarHBondContact O-NH2 3.25Å; P695-W707 HydrophobicContact CG-CD2 4.21Å; P695-W707 HydrophobicContact CG-CG 4.44Å; P695-W707 HydrophobicContact CG-CZ2 4.36Å
696	L	57.3	Low	68.2	Low	55 Å²	55	47.1 Å²	47.1	29%	0.288	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-47.4	146.8	165.9	-71.9	169.3	0	0	0	110.5	K698 N699 R700 W769 L774	L696-K698 PolarHBondContact O-N 2.96Å; L696-N699 PolarHBondContact O-N 2.97Å; L696-R700 PolarHBondContact O-N 3.26Å; L696-W769 HydrophobicContact CD2-CZ3 4.08Å; L696-L774 HydrophobicContact CD1-CB 4.24Å; L696-L774 HydrophobicContact CD2-CB 4.23Å; L696-L774 WeakPolarHBondContact CD2-O 3.48Å
697	S	54.5	Low	67.8	Low	55 Å²	55	46 Å²	46	39%	0.385	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-46.9	-40.8	178.2	49.2	0	0	0	0	113	N699 R700	S697-N699 PolarHBondContact O-N 3.04Å; S697-R700 PolarHBondContact O-N 3.48Å
698	K	54.5	Low	67.4	Low	157 Å²	157	50.3 Å²	50.3	68%	0.683	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-52.3	-34.3	176.7	-61.2	-178.6	-178.1	178.1	0	114.6	L696 W701	L696-K698 PolarHBondContact O-N 2.96Å; K698-W701 WeakPolarHBondContact O-CZ3 2.94Å
699	N	55.1	Low	66.9	Low	81 Å²	81	50.7 Å²	50.7	43%	0.433	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-109.9	9.6	-173.9	-62.6	15.9	0	0	0	112	P695 L696 S697 W701	P695-N699 HydrophobicContact CB-CB 4.26Å; L696-N699 PolarHBondContact O-N 2.97Å; S697-N699 PolarHBondContact O-N 3.04Å; N699-W701 VanDerWaalsContact C-N 3.25Å; N699-W701 PolarHBondContact O-N 3.45Å
700	R	56.3	Low	66.6	Low	4 Å²	4	52.8 Å²	52.8	2%	0.015	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	20.6	-171.6	-151.3	177.6	-57	141	-8.8	114.4	R340 P695 L696 S697 E702 W707 W761	R340-R700 HydrophobicContact CB-CG 4.3Å; R340-R700 VanDerWaalsContact CB-O 3.25Å; R340-R700 WeakPolarHBondContact CB-O 2.98Å; R340-R700 WeakPolarHBondContact O-CD 3.43Å; R340-R700 PolarHBondContact O-NH1 3.03Å; P695-R700 HydrophobicContact CG-CB 4.43Å; P695-R700 HydrophobicContact CG-CG 4.14Å; P695-R700 PolarHBondContact O-NE 3.33Å; P695-R700 VanDerWaalsContact O-NE 3.1Å; P695-R700 PolarHBondContact O-NH2 3.25Å; L696-R700 PolarHBondContact O-N 3.26Å; S697-R700 PolarHBondContact O-N 3.48Å; R700-E702 PolarHBondContact O-N 2.78Å; R700-W707 HydrophobicContact CG-CH2 4.21Å; R700-W707 HydrophobicContact CG-CZ2 3.56Å; R700-W761 VanDerWaalsContact CZ-CZ3 3.46Å; R700-W761 VanDerWaalsContact NH1-CZ3 3.35Å
701	W	52.2	Low	66.4	Low	120 Å²	120	54.5 Å²	54.5	46%	0.455	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.8	168.1	53.8	70.2	0	0	0	111.7	Q337 M341 K698 N699	Q337-W701 HydrophobicContact CG-CB 4.21Å; M341-W701 HydrophobicContact CE-CE3 4.05Å; M341-W701 HydrophobicContact CG-CB 4.39Å; M341-W701 HydrophobicContact SD-CB 3.79Å; M341-W701 HydrophobicContact SD-CD2 4.34Å; M341-W701 HydrophobicContact SD-CE3 3.68Å; M341-W701 HydrophobicContact SD-CG 4.45Å; K698-W701 WeakPolarHBondContact O-CZ3 2.94Å; N699-W701 VanDerWaalsContact C-N 3.25Å; N699-W701 PolarHBondContact O-N 3.45Å
702	E	55.8	Low	66.8	Low	88 Å²	88	54.3 Å²	54.3	41%	0.411	28%	0.282	S	S	.	.	S	Bend	trans	-71	138.2	-173.6	-49.9	-173.2	161.9	0	0	111.7	R700 T706 W707	R700-E702 PolarHBondContact O-N 2.78Å; E702-T706 WeakPolarHBondContact CB-OG1 3.4Å; E702-W707 PolarHBondContact O-NE1 2.86Å
703	D	63	Low	67.2	Low	49 Å²	49	60 Å²	60	26%	0.262	31%	0.307	S	S	.	.			trans	-60.6	141.7	177.9	-171.3	-73.2	0	0	0	110.3	K705 T706	D703-K705 PolarHBondContact O-N 3.44Å; D703-K705 WeakPolarHBondContact OD1-CB 3.35Å; D703-K705 VanDerWaalsContact OD1-CG 3.31Å; D703-K705 WeakPolarHBondContact OD1-CG 3.2Å; D703-K705 PolarHBondContact OD1-N 2.93Å; D703-T706 WeakPolarHBondContact O-CB 3.43Å; D703-T706 PolarHBondContact O-N 2.83Å; D703-T706 PolarHBondContact O-OG1 3.04Å
704	V	63.4	Low	68	Low	8 Å²	8	58.5 Å²	58.5	5%	0.048	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-51.6	-30.9	-178.2	-179	0	0	0	0	112.3	T706 W707 I738 P759	V704-T706 PolarHBondContact O-N 3.18Å; V704-W707 HydrophobicContact CG1-CD2 4.42Å; V704-W707 HydrophobicContact CG1-CE3 4.28Å; V704-W707 HydrophobicContact CG1-CZ3 4.46Å; V704-W707 HydrophobicContact CG2-CH2 4.08Å; V704-W707 HydrophobicContact CG2-CZ2 3.89Å; V704-W707 PolarHBondContact O-N 3.49Å; V704-I738 HydrophobicContact CB-CD1 3.85Å; V704-I738 HydrophobicContact CG1-CD1 3.73Å; V704-P759 HydrophobicContact CG1-CG 4.32Å
705	K	68.9	Low	68.9	Low	88 Å²	88	63.8 Å²	63.8	38%	0.383	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63	-18.1	175.3	-65.7	-177.7	178.1	-158	0	115.3	D703 I738	D703-K705 PolarHBondContact O-N 3.44Å; D703-K705 WeakPolarHBondContact OD1-CB 3.35Å; D703-K705 VanDerWaalsContact OD1-CG 3.31Å; D703-K705 WeakPolarHBondContact OD1-CG 3.2Å; D703-K705 PolarHBondContact OD1-N 2.93Å; K705-I738 WeakPolarHBondContact CE-O 3.27Å; K705-I738 HydrophobicContact CG-CD1 4.35Å; K705-I738 PolarHBondContact NZ-O 2.82Å
706	T	72.1	Confident	70.2	Confident	85 Å²	85	66.8 Å²	66.8	52%	0.521	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-94.7	-14.4	179.4	65.5	0	0	0	0	113	E702 D703 V704	E702-T706 WeakPolarHBondContact CB-OG1 3.4Å; D703-T706 WeakPolarHBondContact O-CB 3.43Å; D703-T706 PolarHBondContact O-N 2.83Å; D703-T706 PolarHBondContact O-OG1 3.04Å; V704-T706 PolarHBondContact O-N 3.18Å
707	W	73.2	Confident	71.7	Confident	25 Å²	25	64.5 Å²	64.5	10%	0.095	32%	0.324	C	S	.	.	S	Bend	trans	-65.8	140.6	-179.2	-60	3.8	0	0	0	110.2	V692 R694 P695 R700 E702 V704 G709 P759	V692-W707 HydrophobicContact CB-CB 4.41Å; V692-W707 HydrophobicContact CG2-CE3 4.05Å; R694-W707 HydrophobicContact CB-CE3 4.5Å; R694-W707 HydrophobicContact CB-CZ3 4.16Å; R694-W707 HydrophobicContact CG-CE3 4.43Å; R694-W707 HydrophobicContact CG-CZ3 4.04Å; P695-W707 HydrophobicContact CG-CD2 4.21Å; P695-W707 HydrophobicContact CG-CG 4.44Å; P695-W707 HydrophobicContact CG-CZ2 4.36Å; R700-W707 HydrophobicContact CG-CH2 4.21Å; R700-W707 HydrophobicContact CG-CZ2 3.56Å; E702-W707 PolarHBondContact O-NE1 2.86Å; V704-W707 HydrophobicContact CG1-CD2 4.42Å; V704-W707 HydrophobicContact CG1-CE3 4.28Å; V704-W707 HydrophobicContact CG1-CZ3 4.46Å; V704-W707 HydrophobicContact CG2-CH2 4.08Å; V704-W707 HydrophobicContact CG2-CZ2 3.89Å; V704-W707 PolarHBondContact O-N 3.49Å; W707-G709 PolarHBondContact O-N 2.82Å; W707-P759 HydrophobicContact CZ3-CG 4.12Å
708	T	76.6	Confident	73.5	Confident	92 Å²	92	62.1 Å²	62.1	56%	0.564	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-72.1	123	-173.9	43.2	0	0	0	0	111.3	V692 H693	V692-T708 WeakPolarHBondContact CA-O 3.44Å; H693-T708 PolarHBondContact N-O 3.16Å
709	G	78.1	Confident	75.3	Confident	9 Å²	9	56.5 Å²	56.5	9%	0.093	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-60.3	142.1	171	0	0	0	0	0	111.3	V684 G691 W707	V684-G709 WeakPolarHBondContact CB-O 3.39Å; V684-G709 WeakPolarHBondContact CG1-O 3.41Å; V684-G709 VanDerWaalsContact CG2-O 3.23Å; V684-G709 WeakPolarHBondContact CG2-O 3.38Å; G691-G709 WeakPolarHBondContact O-CA 3.46Å; W707-G709 PolarHBondContact O-N 2.82Å
710	I	81.5	Confident	77	Confident	43 Å²	43	52.7 Å²	52.7	22%	0.221	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-87.3	120.8	172.5	-69.4	162.9	0	0	0	107.8	N689 C690 G691 N778	N689-I710 WeakPolarHBondContact CB-O 3.43Å; C690-I710 HydrophobicContact CB-CG2 4.44Å; C690-I710 PolarHBondContact N-O 3.04Å; G691-I710 PolarHBondContact O-N 3.4Å; I710-N778 WeakPolarHBondContact CD1-ND2 3.24Å
711	A	82.5	Confident	78.7	Confident	41 Å²	41	52.5 Å²	52.5	34%	0.339	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-64.1	134.5	173.6	0	0	0	0	0	110.2	V677 V684 E713	V677-A711 HydrophobicContact CB-CB 3.84Å; V677-A711 HydrophobicContact CG2-CB 3.5Å; V684-A711 HydrophobicContact CG2-CB 4.19Å; A711-E713 PolarHBondContact O-N 2.81Å
712	C	87.5	Confident	80.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.007	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.8	125.2	169.7	-62.9	0	0	0	0	109.8	N675 C690 D717 T718	N675-C712 WeakPolarHBondContact O-CB 3.31Å; N675-C712 PolarHBondContact O-SG 3.24Å; N675-C712 VanDerWaalsContact O-SG 3.33Å; C690-C712 HydrophobicContact CB-CB 4.08Å; C690-C712 WeakPolarHBondContact CB-SG 3.48Å; C690-C712 PolarHBondContact N-SG 3.32Å; C690-C712 WeakPolarHBondContact SG-CA 3.34Å; C690-C712 WeakPolarHBondContact SG-CB 3.37Å; C690-C712 CovalentContact SG-SG 2.04Å; C690-C712 PolarHBondContact SG-SG 2.94Å; C712-D717 HydrophobicContact CB-CB 4.22Å; C712-T718 HydrophobicContact CB-CG2 4.08Å
713	E	83.2	Confident	82.3	Confident	133 Å²	133	42.7 Å²	42.7	62%	0.621	23%	0.226	S	C	*	.	S	Bend	trans	-71.9	-45.4	-171.7	-176.2	176.7	-167.1	0	0	111.9	K678 A711	K678-E713 PolarHBondContact NZ-O 3.22Å; A711-E713 PolarHBondContact O-N 2.81Å
714	T	85.9	Confident	83.8	Confident	57 Å²	57	40.4 Å²	40.4	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	-121	163.6	177	80.2	0	0	0	0	112	H716 D717 T718	T714-H716 PolarHBondContact O-N 3.1Å; T714-H716 PolarHBondContact OG1-N 2.99Å; T714-D717 WeakPolarHBondContact CA-OD2 3.39Å; T714-D717 VanDerWaalsContact CB-OD2 3.27Å; T714-D717 WeakPolarHBondContact CB-OD2 3.43Å; T714-D717 WeakPolarHBondContact CG2-OD2 3.46Å; T714-D717 PolarHBondContact N-OD2 3.44Å; T714-D717 WeakPolarHBondContact O-CB 3.45Å; T714-D717 PolarHBondContact O-N 3.2Å; T714-D717 PolarHBondContact OG1-N 2.66Å; T714-D717 PolarHBondContact OG1-OD2 3.24Å; T714-T718 PolarHBondContact O-N 3.01Å
715	W	84.1	Confident	85.3	Confident	121 Å²	121	40 Å²	40	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-52.9	-33.8	169.9	-169	-111.4	0	0	0	113.4	Y673 E676 D717 T718	Y673-W715 AromaticContact CD1-CH2 3.17Å; Y673-W715 HydrophobicContact CD1-CH2 3.17Å; Y673-W715 AromaticContact CD1-CZ2 3.63Å; Y673-W715 HydrophobicContact CD1-CZ2 3.63Å; Y673-W715 AromaticContact CD1-CZ3 3.77Å; Y673-W715 HydrophobicContact CD1-CZ3 3.77Å; Y673-W715 AromaticContact CD2-CH2 3.82Å; Y673-W715 HydrophobicContact CD2-CH2 3.82Å; Y673-W715 AromaticContact CE1-CH2 3.18Å; Y673-W715 HydrophobicContact CE1-CH2 3.18Å; Y673-W715 AromaticContact CE1-CZ2 3.15Å; Y673-W715 HydrophobicContact CE1-CZ2 3.15Å; Y673-W715 HydrophobicContact CE1-CZ3 4.18Å; Y673-W715 AromaticContact CE2-CH2 3.79Å; Y673-W715 HydrophobicContact CE2-CH2 3.79Å; Y673-W715 HydrophobicContact CE2-CZ2 4.23Å; Y673-W715 AromaticContact CG-CH2 3.54Å; Y673-W715 HydrophobicContact CG-CH2 3.54Å; Y673-W715 HydrophobicContact CG-CZ2 4.39Å; Y673-W715 HydrophobicContact CG-CZ3 4.03Å; Y673-W715 AromaticContact CZ-CH2 3.5Å; Y673-W715 VanDerWaalsContact CZ-CH2 3.5Å; Y673-W715 AromaticContact CZ-CZ2 3.5Å; Y673-W715 VanDerWaalsContact CZ-CZ2 3.5Å; E676-W715 VanDerWaalsContact OE2-CE3 3.29Å; E676-W715 WeakPolarHBondContact OE2-CZ3 3.27Å; W715-D717 VanDerWaalsContact C-N 3.35Å; W715-T718 HydrophobicContact CE3-CG2 4.46Å; W715-T718 PolarHBondContact O-N 3.13Å; W715-T718 PolarHBondContact O-OG1 2.81Å
716	H	88.4	Confident	86.6	Confident	91 Å²	91	36.7 Å²	36.7	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-70.8	-32.7	178.6	-58.6	-54.2	0	0	0	111.7	T714 S719 S804 C813	T714-H716 PolarHBondContact O-N 3.1Å; T714-H716 PolarHBondContact OG1-N 2.99Å; H716-S719 PolarHBondContact O-N 2.77Å; H716-S719 PolarHBondContact O-OG 3.15Å; H716-S804 WeakPolarHBondContact ND1-CB 3.25Å; H716-S804 PolarHBondContact ND1-OG 2.88Å; H716-C813 HydrophobicContact CB-CB 4.07Å
717	D	90	Very high	87.5	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-72.1	-26.9	176.4	-53	-63.5	0	0	0	112.6	C690 C712 T714 W715 S719 C720 G721 S812 C813	C690-D717 PolarHBondContact SG-O 2.83Å; C712-D717 HydrophobicContact CB-CB 4.22Å; T714-D717 WeakPolarHBondContact CA-OD2 3.39Å; T714-D717 VanDerWaalsContact CB-OD2 3.27Å; T714-D717 WeakPolarHBondContact CB-OD2 3.43Å; T714-D717 WeakPolarHBondContact CG2-OD2 3.46Å; T714-D717 PolarHBondContact N-OD2 3.44Å; T714-D717 WeakPolarHBondContact O-CB 3.45Å; T714-D717 PolarHBondContact O-N 3.2Å; T714-D717 PolarHBondContact OG1-N 2.66Å; T714-D717 PolarHBondContact OG1-OD2 3.24Å; W715-D717 VanDerWaalsContact C-N 3.35Å; D717-S719 PolarHBondContact O-N 2.75Å; D717-S719 VanDerWaalsContact O-N 3.13Å; D717-C720 CarbonylContact O-C 3.53Å; D717-C720 WeakPolarHBondContact O-CA 3.48Å; D717-C720 PolarHBondContact O-N 3.36Å; D717-G721 PolarHBondContact O-N 2.63Å; D717-G721 VanDerWaalsContact O-N 3.15Å; D717-S812 WeakPolarHBondContact OD1-CA 3.33Å; D717-S812 WeakPolarHBondContact OD1-CB 3.42Å; D717-C813 PolarHBondContact OD1-N 3.21Å
718	T	91.3	Very high	88.2	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-53.8	-36.4	175.4	70.2	0	0	0	0	112.2	F672 N675 E676 C712 T714 W715 C720 G721	F672-T718 WeakPolarHBondContact CD1-O 3.32Å; N675-T718 PolarHBondContact ND2-O 2.63Å; E676-T718 HydrophobicContact CB-CG2 3.93Å; C712-T718 HydrophobicContact CB-CG2 4.08Å; T714-T718 PolarHBondContact O-N 3.01Å; W715-T718 HydrophobicContact CE3-CG2 4.46Å; W715-T718 PolarHBondContact O-N 3.13Å; W715-T718 PolarHBondContact O-OG1 2.81Å; T718-C720 PolarHBondContact O-N 3.26Å; T718-G721 PolarHBondContact O-N 2.81Å
719	S	92	Very high	88.4	Confident	39 Å²	39	42 Å²	42	27%	0.273	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.8	177	68.8	0	0	0	0	114.9	H716 D717	H716-S719 PolarHBondContact O-N 2.77Å; H716-S719 PolarHBondContact O-OG 3.15Å; D717-S719 PolarHBondContact O-N 2.75Å; D717-S719 VanDerWaalsContact O-N 3.13Å
720	C	91.9	Very high	88.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	3.4	175.5	-62.7	0	0	0	0	113.2	D717 T718 C808 G811	D717-C720 CarbonylContact O-C 3.53Å; D717-C720 WeakPolarHBondContact O-CA 3.48Å; D717-C720 PolarHBondContact O-N 3.36Å; T718-C720 PolarHBondContact O-N 3.26Å; C720-C808 WeakPolarHBondContact CA-SG 3.33Å; C720-C808 HydrophobicContact CB-CB 3.55Å; C720-C808 WeakPolarHBondContact CB-SG 3.29Å; C720-C808 WeakPolarHBondContact SG-CA 3.37Å; C720-C808 WeakPolarHBondContact SG-CB 3.22Å; C720-C808 CovalentContact SG-SG 2.04Å; C720-C808 PolarHBondContact SG-SG 2.94Å; C720-G811 WeakPolarHBondContact O-CA 3.31Å
721	G	90.5	Very high	88.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-81.5	-143.5	175.2	0	0	0	0	0	112.8	N689 D717 T718 L723 V797	N689-G721 CarbonylContact O-C 3.51Å; N689-G721 WeakPolarHBondContact O-CA 3.49Å; D717-G721 PolarHBondContact O-N 2.63Å; D717-G721 VanDerWaalsContact O-N 3.15Å; T718-G721 PolarHBondContact O-N 2.81Å; G721-L723 PolarHBondContact O-N 3.19Å; G721-V797 WeakPolarHBondContact O-CG2 3.36Å; G721-V797 PolarHBondContact O-N 3.31Å
722	R	91.5	Very high	88.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-50.9	129.3	170.9	-174.3	62	48.1	-155.4	-8.9	111.1	F672 N675 V687 N689 A754 L755 D793 G795 M796	F672-R722 WeakPolarHBondContact CE1-O 3.16Å; N675-R722 PolarHBondContact ND2-N 2.97Å; N675-R722 PolarHBondContact ND2-O 3.38Å; V687-R722 HydrophobicContact CG1-CG 4.04Å; V687-R722 WeakPolarHBondContact O-CB 3.24Å; V687-R722 WeakPolarHBondContact O-CD 3.23Å; V687-R722 VanDerWaalsContact O-CG 3.26Å; V687-R722 WeakPolarHBondContact O-CG 3.15Å; V687-R722 PolarHBondContact O-NE 2.85Å; N689-R722 PolarHBondContact O-N 2.91Å; N689-R722 PolarHBondContact OD1-NH2 3.02Å; R722-A754 HydrophobicContact CG-CB 3.63Å; R722-L755 WeakPolarHBondContact CD-O 3.37Å; R722-L755 PolarHBondContact NH1-O 3.49Å; R722-D793 IonicContact CZ-OD2 2.75Å; R722-D793 VanDerWaalsContact NH1-CG 3.25Å; R722-D793 IonicContact NH1-OD1 3.91Å; R722-D793 PolarHBondContact NH1-OD1 3.37Å; R722-D793 VanDerWaalsContact NH1-OD1 3.12Å; R722-D793 IonicContact NH1-OD2 3.12Å; R722-D793 PolarHBondContact NH1-OD2 2.88Å; R722-D793 IonicContact NH2-OD2 3.27Å; R722-D793 PolarHBondContact NH2-OD2 3.03Å; R722-G795 WeakPolarHBondContact CD-O 3.49Å; R722-G795 VanDerWaalsContact NH1-C 3.32Å; R722-G795 PolarHBondContact NH1-O 3.32Å; R722-M796 VanDerWaalsContact CZ-SD 3.55Å; R722-M796 PolarHBondContact NH2-SD 3.49Å; R722-M796 VanDerWaalsContact NH2-SD 3.4Å
723	L	92.9	Very high	87	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	26%	0.257	C	S	.	.			trans	-77.5	128.7	174.9	176.1	59.1	0	0	0	110.4	A652 W655 L659 L666 F672 G721 A754 G795 V797	A652-L723 HydrophobicContact CB-CD1 3.85Å; W655-L723 HydrophobicContact CB-CD2 4.04Å; W655-L723 HydrophobicContact CG-CD2 4.19Å; L659-L723 HydrophobicContact CD1-CD2 3.73Å; L666-L723 HydrophobicContact CD1-CD1 3.65Å; F672-L723 HydrophobicContact CZ-CD1 4.07Å; G721-L723 PolarHBondContact O-N 3.19Å; L723-A754 WeakPolarHBondContact O-CB 3.43Å; L723-G795 WeakPolarHBondContact CB-O 3.23Å; L723-G795 PolarHBondContact N-O 3.14Å; L723-V797 HydrophobicContact CB-CG2 4.02Å; L723-V797 HydrophobicContact CD1-CG2 4.07Å
724	W	94.9	Very high	86.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.			trans	-108.1	131.4	172.7	-69.2	88.5	0	0	0	110.4	A667 C671 F672 E674 N675 A688 Q741 R743 C752 A754	A667-W724 HydrophobicContact CB-CB 3.58Å; A667-W724 VanDerWaalsContact CB-O 3.24Å; A667-W724 WeakPolarHBondContact CB-O 3.23Å; A667-W724 PolarHBondContact N-O 2.94Å; C671-W724 HydrophobicContact CB-CB 3.75Å; C671-W724 HydrophobicContact CB-CD2 3.91Å; C671-W724 HydrophobicContact CB-CE3 4.11Å; C671-W724 HydrophobicContact CB-CG 3.76Å; C671-W724 PolarHBondContact O-NE1 2.88Å; F672-W724 AromaticContact CD1-CD1 3.95Å; F672-W724 HydrophobicContact CD2-CB 4.44Å; F672-W724 HydrophobicContact CE1-CB 4.44Å; F672-W724 HydrophobicContact CE2-CB 4.02Å; F672-W724 HydrophobicContact CZ-CB 4.01Å; E674-W724 HydrophobicContact CB-CH2 4.46Å; E674-W724 HydrophobicContact CB-CZ2 3.71Å; E674-W724 HydrophobicContact CG-CH2 4.36Å; E674-W724 HydrophobicContact CG-CZ2 4.05Å; N675-W724 PolarHBondContact OD1-NE1 3.5Å; A688-W724 HydrophobicContact CB-CZ2 3.97Å; W724-Q741 HydrophobicContact CH2-CB 4.31Å; W724-Q741 HydrophobicContact CH2-CG 4.13Å; W724-R743 HydrophobicContact CH2-CG 3.8Å; W724-R743 HydrophobicContact CZ3-CB 4.18Å; W724-R743 HydrophobicContact CZ3-CG 3.92Å; W724-C752 HydrophobicContact CE3-CB 4.25Å; W724-A754 HydrophobicContact CD2-CB 3.84Å; W724-A754 HydrophobicContact CE3-CB 3.83Å; W724-A754 HydrophobicContact CG-CB 4.46Å; W724-A754 HydrophobicContact CH2-CB 4.12Å; W724-A754 HydrophobicContact CZ2-CB 4.12Å; W724-A754 HydrophobicContact CZ3-CB 3.97Å
725	C	95.4	Very high	84.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.9	-178.8	-56.4	0	0	0	0	112	C656 R665 C752 S753	C656-C725 WeakPolarHBondContact CA-SG 3.32Å; C656-C725 HydrophobicContact CB-CB 3.77Å; C656-C725 WeakPolarHBondContact CB-SG 3.44Å; C656-C725 VanDerWaalsContact SG-CA 3.58Å; C656-C725 WeakPolarHBondContact SG-CB 3.27Å; C656-C725 CovalentContact SG-SG 2.04Å; C656-C725 PolarHBondContact SG-SG 2.87Å; R665-C725 CarbonylContact O-C 3.44Å; R665-C725 VanDerWaalsContact O-CA 3.23Å; R665-C725 WeakPolarHBondContact O-CA 3.08Å; C725-C752 CarbonylContact O-C 3.57Å; C725-C752 VanDerWaalsContact O-CA 3.31Å; C725-C752 WeakPolarHBondContact O-CA 3.14Å; C725-S753 PolarHBondContact N-O 2.99Å; C725-S753 PolarHBondContact O-N 3.4Å
726	H	94.8	Very high	83.7	Confident	19 Å²	19	42.8 Å²	42.8	9%	0.088	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.2	155.3	-62.6	-56.5	0	0	0	109	A664 R665 D668 S751	A664-H726 CarbonylContact C-O 3.52Å; A664-H726 WeakPolarHBondContact CA-O 2.96Å; A664-H726 WeakPolarHBondContact CB-O 3.06Å; R665-H726 PolarHBondContact N-O 2.74Å; R665-H726 PolarHBondContact O-N 3.44Å; D668-H726 PolarHBondContact N-NE2 2.78Å; D668-H726 IonicContact OD2-CE1 3.77Å; D668-H726 IonicContact OD2-NE2 3.3Å; D668-H726 PolarHBondContact OD2-NE2 3.3Å; H726-S751 PolarHBondContact ND1-O 3.15Å
727	H	91.3	Very high	82.8	Confident	24 Å²	24	43.6 Å²	43.6	11%	0.111	22%	0.216	C	C	.	.			trans	-151.2	161.2	177.6	67.9	110.9	0	0	0	109.2	W660 A664 N729 E730 S753	W660-H727 HydrophobicContact CB-CB 3.93Å; W660-H727 HydrophobicContact CD2-CB 4.33Å; W660-H727 AromaticContact CD2-CG 3.98Å; W660-H727 AromaticContact CE3-CE1 3.7Å; W660-H727 AromaticContact CE3-CG 3.9Å; W660-H727 AromaticContact CE3-ND1 3.51Å; W660-H727 HydrophobicContact CG-CB 4.11Å; W660-H727 AromaticContact CH2-CE1 3.96Å; W660-H727 AromaticContact CH2-NE2 3.96Å; W660-H727 AromaticContact CZ3-CE1 3.48Å; W660-H727 VanDerWaalsContact CZ3-CE1 3.48Å; W660-H727 WeakPolarHBondContact CZ3-CE1 3.4Å; W660-H727 AromaticContact CZ3-ND1 3.79Å; W660-H727 AromaticContact CZ3-NE2 3.92Å; A664-H727 HydrophobicContact CB-CB 3.96Å; H727-N729 VanDerWaalsContact C-N 3.27Å; H727-N729 PolarHBondContact O-N 3.29Å; H727-E730 WeakPolarHBondContact CB-OE2 3.46Å; H727-E730 PolarHBondContact ND1-O 2.84Å; H727-S753 VanDerWaalsContact NE2-CB 3.33Å; H727-S753 WeakPolarHBondContact NE2-CB 3.11Å; H727-S753 PolarHBondContact NE2-OG 2.79Å
728	Q	87.6	Confident	81.9	Confident	150 Å²	150	43.9 Å²	43.9	70%	0.701	22%	0.217	S	C	*	.	S	Bend	trans	-91.6	44.4	-174.6	-68.6	-176.3	19.7	0	0	112.6	T663 E730	T663-Q728 VanDerWaalsContact OG1-CG 3.27Å; T663-Q728 WeakPolarHBondContact OG1-CG 3.25Å; Q728-E730 PolarHBondContact N-OE2 3.15Å; Q728-E730 PolarHBondContact O-N 3.1Å; Q728-E730 VanDerWaalsContact O-N 3.15Å
729	N	80.7	Confident	81.3	Confident	139 Å²	139	45.8 Å²	45.8	74%	0.743	23%	0.226	S	C	*	.	S	Bend	trans	54.3	23.7	-167.2	-64.3	-27.1	0	0	0	113.5	H727	H727-N729 VanDerWaalsContact C-N 3.27Å; H727-N729 PolarHBondContact O-N 3.29Å
730	E	81.3	Confident	81.1	Confident	46 Å²	46	46.6 Å²	46.6	22%	0.215	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-56	144	167.7	-67.2	140.6	129.1	0	0	109.9	W660 T663 H727 Q728	W660-E730 WeakPolarHBondContact O-CB 3.45Å; T663-E730 WeakPolarHBondContact CB-OE1 3.01Å; T663-E730 WeakPolarHBondContact CG2-OE1 3.11Å; T663-E730 PolarHBondContact N-OE1 2.04Å; T663-E730 PolarHBondContact OG1-OE1 3.3Å; T663-E730 PolarHBondContact OG1-OE2 2.94Å; H727-E730 WeakPolarHBondContact CB-OE2 3.46Å; H727-E730 PolarHBondContact ND1-O 2.84Å; Q728-E730 PolarHBondContact N-OE2 3.15Å; Q728-E730 PolarHBondContact O-N 3.1Å; Q728-E730 VanDerWaalsContact O-N 3.15Å
731	K	78.2	Confident	81	Confident	192 Å²	192	47.9 Å²	47.9	84%	0.835	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-69.8	140.7	167.6	-68.7	-179	179.7	177	0	108.6	M733	K731-M733 PolarHBondContact O-N 3.45Å
732	A	76.8	Confident	80.9	Confident	14 Å²	14	51.6 Å²	51.6	12%	0.116	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53.4	124.8	172.6	0	0	0	0	0	110.2	L659 W660 L755	L659-A732 CarbonylContact O-C 3.59Å; L659-A732 VanDerWaalsContact O-CA 3.25Å; L659-A732 WeakPolarHBondContact O-CA 3.43Å; W660-A732 HydrophobicContact CE3-CB 4.13Å; W660-A732 HydrophobicContact CZ3-CB 4.15Å; A732-L755 HydrophobicContact CB-CD1 3.74Å
733	M	65.1	Low	80.7	Confident	79 Å²	79	54.9 Å²	54.9	39%	0.389	27%	0.272	S	S	.	.	S	Bend	trans	-74.3	-43.4	179.9	-73.9	-168.2	64.7	0	0	111.2	H448 L659 G661 K731 L735	H448-M733 VanDerWaalsContact O-O 3.09Å; L659-M733 PolarHBondContact O-N 2.9Å; G661-M733 WeakPolarHBondContact CA-SD 3.17Å; K731-M733 PolarHBondContact O-N 3.45Å; M733-L735 PolarHBondContact O-N 3.25Å
734	L	62.6	Low	80.4	Confident	19 Å²	19	58.8 Å²	58.8	10%	0.099	30%	0.296	C	S	.	.	S	Bend	trans	-73.8	113.1	172.1	-84.7	172.4	0	0	0	109.6	W655 V658 L659 Y757	W655-L734 HydrophobicContact CH2-CD1 4.22Å; W655-L734 HydrophobicContact CZ2-CD1 4.26Å; V658-L734 HydrophobicContact CG1-CD1 3.81Å; V658-L734 HydrophobicContact CG1-CG 4.27Å; L659-L734 HydrophobicContact CD2-CB 4.31Å; L659-L734 HydrophobicContact CD2-CD1 3.84Å; L659-L734 HydrophobicContact CG-CD1 4.49Å; L734-Y757 HydrophobicContact CB-CE1 4.01Å; L734-Y757 VanDerWaalsContact CB-OH 3.32Å; L734-Y757 WeakPolarHBondContact CB-OH 3.3Å; L734-Y757 WeakPolarHBondContact O-CE1 3.42Å; L734-Y757 PolarHBondContact O-OH 3.03Å
735	L	60.2	Low	79.8	Confident	53 Å²	53	59.6 Å²	59.6	28%	0.277	30%	0.301	S	S	.	.			trans	-79.8	159.6	-176.6	-59.9	164.6	0	0	0	110.8	M370 L445 H448 M450 M733	M370-L735 HydrophobicContact CE-CB 4.5Å; M370-L735 HydrophobicContact CE-CD1 3.51Å; M370-L735 HydrophobicContact CE-CD2 3.7Å; M370-L735 HydrophobicContact CE-CG 4.05Å; L445-L735 HydrophobicContact CD2-CD1 4.32Å; H448-L735 HydrophobicContact CB-CD1 4.31Å; M450-L735 HydrophobicContact CE-CB 3.86Å; M450-L735 HydrophobicContact CE-CD1 3.84Å; M733-L735 PolarHBondContact O-N 3.25Å
736	G	60.7	Low	79	Confident	19 Å²	19	68.8 Å²	68.8	20%	0.196	34%	0.343	C	S	.	.			trans	90.1	10.9	174.2	0	0	0	0	0	117.3
737	W	69.9	Low	78.2	Confident	108 Å²	108	72.7 Å²	72.7	41%	0.409	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	141.7	165.9	60.1	-92	0	0	0	110.9	S740 L755 V756 Y757	W737-S740 WeakPolarHBondContact CZ3-OG 3.08Å; W737-L755 HydrophobicContact CB-CB 4.3Å; W737-L755 HydrophobicContact CB-CD2 4.47Å; W737-L755 HydrophobicContact CD2-CD2 3.93Å; W737-L755 HydrophobicContact CE3-CD2 4.24Å; W737-L755 HydrophobicContact CG-CD1 4.38Å; W737-L755 HydrophobicContact CG-CD2 4.02Å; W737-V756 CarbonylContact C-O 3.57Å; W737-V756 WeakPolarHBondContact CA-O 3.36Å; W737-V756 WeakPolarHBondContact CB-O 3.43Å; W737-Y757 HydrophobicContact CB-CD1 4.07Å; W737-Y757 HydrophobicContact CB-CD2 4.12Å; W737-Y757 HydrophobicContact CB-CE1 3.84Å; W737-Y757 HydrophobicContact CB-CE2 3.9Å; W737-Y757 HydrophobicContact CB-CG 4.2Å
738	I	70.2	Confident	77.7	Confident	12 Å²	12	74.3 Å²	74.3	6%	0.062	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-25.5	-174.7	58.9	171.1	0	0	0	113	V704 K705 V756 D758	V704-I738 HydrophobicContact CB-CD1 3.85Å; V704-I738 HydrophobicContact CG1-CD1 3.73Å; K705-I738 WeakPolarHBondContact CE-O 3.27Å; K705-I738 HydrophobicContact CG-CD1 4.35Å; K705-I738 PolarHBondContact NZ-O 2.82Å; I738-V756 HydrophobicContact CD1-CG1 4.31Å; I738-V756 HydrophobicContact CG1-CB 4.32Å; I738-V756 HydrophobicContact CG1-CG1 4.13Å; I738-V756 WeakPolarHBondContact CG1-O 3.45Å; I738-V756 PolarHBondContact N-O 3.36Å; I738-D758 HydrophobicContact CG2-CB 4.26Å
739	Q	79.1	Confident	77.4	Confident	46 Å²	46	69.9 Å²	69.9	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.3	179.2	-169.2	168.8	-46.3	0	0	110.3	S686 V687 V756	S686-Q739 PolarHBondContact OG-NE2 2.67Å; V687-Q739 HydrophobicContact CG2-CG 3.84Å; Q739-V756 HydrophobicContact CB-CB 4.16Å; Q739-V756 HydrophobicContact CB-CG2 4.2Å; Q739-V756 PolarHBondContact N-O 2.87Å; Q739-V756 PolarHBondContact O-N 3.18Å
740	S	87.2	Confident	77.6	Confident	55 Å²	55	69.2 Å²	69.2	39%	0.385	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.2	177.4	61	0	0	0	0	110.7	W737 A754	W737-S740 WeakPolarHBondContact CZ3-OG 3.08Å; S740-A754 CarbonylContact C-O 3.5Å; S740-A754 VanDerWaalsContact CA-O 3.27Å; S740-A754 WeakPolarHBondContact CA-O 3.2Å
741	Q	89.3	Confident	78	Confident	28 Å²	28	69 Å²	69	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.8	175	-168.4	175.7	82.9	0	0	109.7	D685 V687 W724 R743 S753 A754	D685-Q741 PolarHBondContact OD1-NE2 2.72Å; D685-Q741 PolarHBondContact OD2-NE2 2.77Å; V687-Q741 HydrophobicContact CB-CB 3.84Å; V687-Q741 HydrophobicContact CG1-CB 3.72Å; V687-Q741 HydrophobicContact CG2-CB 3.89Å; W724-Q741 HydrophobicContact CH2-CB 4.31Å; W724-Q741 HydrophobicContact CH2-CG 4.13Å; Q741-R743 VanDerWaalsContact CD-NH1 3.32Å; Q741-R743 VanDerWaalsContact CD-NH2 3.32Å; Q741-R743 VanDerWaalsContact CG-NH1 3.28Å; Q741-R743 VanDerWaalsContact OE1-NH2 3.13Å; Q741-S753 CarbonylContact O-C 3.58Å; Q741-S753 WeakPolarHBondContact O-CA 3.48Å; Q741-A754 PolarHBondContact N-O 2.99Å; Q741-A754 PolarHBondContact O-N 3.41Å
742	T	90.1	Very high	78.7	Confident	77 Å²	77	59.9 Å²	59.9	47%	0.472	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.4	174.7	-57.9	0	0	0	0	109.4	C752 S753	T742-C752 CarbonylContact C-O 3.56Å; T742-C752 WeakPolarHBondContact CA-O 3.43Å; T742-S753 PolarHBondContact OG1-OG 2.92Å
743	R	86.8	Confident	79.6	Confident	69 Å²	69	59.4 Å²	59.4	26%	0.26	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.5	173.3	-72.5	-67.4	-171.8	-80.3	-16.3	109.7	E674 D685 W724 Q741 S751 C752	E674-R743 HydrophobicContact CG-CG 4.07Å; E674-R743 WeakPolarHBondContact OE1-CD 3.35Å; E674-R743 IonicContact OE1-CZ 3.88Å; E674-R743 IonicContact OE1-NE 2.88Å; E674-R743 PolarHBondContact OE1-NE 3.16Å; E674-R743 IonicContact OE2-CZ 3.25Å; E674-R743 VanDerWaalsContact OE2-CZ 3.25Å; E674-R743 IonicContact OE2-NE 3Å; E674-R743 PolarHBondContact OE2-NE 2.76Å; E674-R743 IonicContact OE2-NH2 2.7Å; E674-R743 PolarHBondContact OE2-NH2 2.64Å; D685-R743 IonicContact OD2-NH2 3.94Å; W724-R743 HydrophobicContact CH2-CG 3.8Å; W724-R743 HydrophobicContact CZ3-CB 4.18Å; W724-R743 HydrophobicContact CZ3-CG 3.92Å; Q741-R743 VanDerWaalsContact CD-NH1 3.32Å; Q741-R743 VanDerWaalsContact CD-NH2 3.32Å; Q741-R743 VanDerWaalsContact CG-NH1 3.28Å; Q741-R743 VanDerWaalsContact OE1-NH2 3.13Å; R743-S751 CarbonylContact O-C 3.59Å; R743-S751 VanDerWaalsContact O-CA 3.22Å; R743-S751 WeakPolarHBondContact O-CA 3.4Å; R743-C752 PolarHBondContact N-O 3.11Å; R743-C752 PolarHBondContact O-N 2.87Å
744	V	85.8	Confident	80.9	Confident	86 Å²	86	55.7 Å²	55.7	52%	0.521	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.7	174.1	-178.8	0	0	0	0	108.1	H746	V744-H746 PolarHBondContact O-N 3.21Å
745	I	81.8	Confident	82	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.087	31%	0.306	C	S	.	.			trans	-80.8	105.2	-179.7	-53.3	172.7	0	0	0	108.2	D668 H670 S747 S748 G749 R750	D668-I745 HydrophobicContact CB-CD1 3.64Å; H670-I745 HydrophobicContact CB-CG2 4.5Å; I745-S747 WeakPolarHBondContact CG2-OG 3.39Å; I745-S747 PolarHBondContact O-N 3.2Å; I745-S748 PolarHBondContact O-N 3.11Å; I745-G749 PolarHBondContact O-N 3.46Å; I745-R750 PolarHBondContact N-O 2.97Å
746	H	80.4	Confident	83	Confident	192 Å²	192	53 Å²	53	89%	0.889	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.7	-175.9	-71.5	-76.1	0	0	0	115	V744	V744-H746 PolarHBondContact O-N 3.21Å
747	S	77.7	Confident	83.7	Confident	102 Å²	102	52.9 Å²	52.9	71%	0.713	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.7	-179.8	52.9	0	0	0	0	115	I745	I745-S747 WeakPolarHBondContact CG2-OG 3.39Å; I745-S747 PolarHBondContact O-N 3.2Å
748	S	80	Confident	83.5	Confident	57 Å²	57	48.3 Å²	48.3	40%	0.399	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-9	-179.1	67.9	0	0	0	0	114.3	I745 R750	I745-S748 PolarHBondContact O-N 3.11Å; S748-R750 PolarHBondContact O-N 3.01Å; S748-R750 VanDerWaalsContact O-N 3.12Å; S748-R750 WeakPolarHBondContact OG-CG 3.41Å; S748-R750 PolarHBondContact OG-N 2.99Å
749	G	80.9	Confident	82.9	Confident	58 Å²	58	48.1 Å²	48.1	60%	0.598	27%	0.273	S	S	*	.			trans	69.3	-3.4	-174	0	0	0	0	0	114.5	I745	I745-G749 PolarHBondContact O-N 3.46Å
750	R	85.1	Confident	81.6	Confident	125 Å²	125	46.8 Å²	46.8	47%	0.472	27%	0.268	S	S	.	.			trans	-76.8	135.9	-174.9	-55.5	178	91.7	-165.7	10.3	110.6	D668 I745 S748	D668-R750 IonicContact OD1-NH1 3.2Å; D668-R750 IonicContact OD2-NH1 2.65Å; D668-R750 PolarHBondContact OD2-NH1 3.48Å; I745-R750 PolarHBondContact N-O 2.97Å; S748-R750 PolarHBondContact O-N 3.01Å; S748-R750 VanDerWaalsContact O-N 3.12Å; S748-R750 WeakPolarHBondContact OG-CG 3.41Å; S748-R750 PolarHBondContact OG-N 2.99Å
751	S	90.7	Very high	79.8	Confident	41 Å²	41	45.4 Å²	45.4	29%	0.287	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	145.1	168.4	50.6	0	0	0	0	111.4	H726 R743	H726-S751 PolarHBondContact ND1-O 3.15Å; R743-S751 CarbonylContact O-C 3.59Å; R743-S751 VanDerWaalsContact O-CA 3.22Å; R743-S751 WeakPolarHBondContact O-CA 3.4Å
752	C	93.4	Very high	77.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.7	168	53.2	0	0	0	0	109.3	A667 C671 W724 C725 T742 R743	A667-C752 HydrophobicContact CB-CB 3.7Å; C671-C752 HydrophobicContact CB-CB 3.95Å; C671-C752 WeakPolarHBondContact CB-SG 3.26Å; C671-C752 WeakPolarHBondContact SG-CB 3.17Å; C671-C752 CovalentContact SG-SG 2.03Å; C671-C752 PolarHBondContact SG-SG 2.89Å; W724-C752 HydrophobicContact CE3-CB 4.25Å; C725-C752 CarbonylContact O-C 3.57Å; C725-C752 VanDerWaalsContact O-CA 3.31Å; C725-C752 WeakPolarHBondContact O-CA 3.14Å; T742-C752 CarbonylContact C-O 3.56Å; T742-C752 WeakPolarHBondContact CA-O 3.43Å; R743-C752 PolarHBondContact N-O 3.11Å; R743-C752 PolarHBondContact O-N 2.87Å
753	S	94.4	Very high	75.3	Confident	5 Å²	5	41.8 Å²	41.8	4%	0.035	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.6	-175.8	-61.6	0	0	0	0	111.4	C725 H727 Q741 T742	C725-S753 PolarHBondContact N-O 2.99Å; C725-S753 PolarHBondContact O-N 3.4Å; H727-S753 VanDerWaalsContact NE2-CB 3.33Å; H727-S753 WeakPolarHBondContact NE2-CB 3.11Å; H727-S753 PolarHBondContact NE2-OG 2.79Å; Q741-S753 CarbonylContact O-C 3.58Å; Q741-S753 WeakPolarHBondContact O-CA 3.48Å; T742-S753 PolarHBondContact OG1-OG 2.92Å
754	A	92.5	Very high	73	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.2	175.6	0	0	0	0	0	110	V687 R722 L723 W724 S740 Q741	V687-A754 HydrophobicContact CG1-CB 3.84Å; R722-A754 HydrophobicContact CG-CB 3.63Å; L723-A754 WeakPolarHBondContact O-CB 3.43Å; W724-A754 HydrophobicContact CD2-CB 3.84Å; W724-A754 HydrophobicContact CE3-CB 3.83Å; W724-A754 HydrophobicContact CG-CB 4.46Å; W724-A754 HydrophobicContact CH2-CB 4.12Å; W724-A754 HydrophobicContact CZ2-CB 4.12Å; W724-A754 HydrophobicContact CZ3-CB 3.97Å; S740-A754 CarbonylContact C-O 3.5Å; S740-A754 VanDerWaalsContact CA-O 3.27Å; S740-A754 WeakPolarHBondContact CA-O 3.2Å; Q741-A754 PolarHBondContact N-O 2.99Å; Q741-A754 PolarHBondContact O-N 3.41Å
755	L	87	Confident	71.1	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.7	177	-61.5	178	0	0	0	109.9	L659 W660 R722 A732 W737 Y757 G795	L659-L755 HydrophobicContact CD2-CD1 4.44Å; W660-L755 HydrophobicContact CH2-CD1 4.25Å; W660-L755 HydrophobicContact CH2-CD2 3.66Å; W660-L755 HydrophobicContact CH2-CG 4.06Å; W660-L755 HydrophobicContact CZ2-CD1 3.8Å; W660-L755 HydrophobicContact CZ2-CD2 3.63Å; W660-L755 HydrophobicContact CZ2-CG 3.51Å; R722-L755 WeakPolarHBondContact CD-O 3.37Å; R722-L755 PolarHBondContact NH1-O 3.49Å; A732-L755 HydrophobicContact CB-CD1 3.74Å; W737-L755 HydrophobicContact CB-CB 4.3Å; W737-L755 HydrophobicContact CB-CD2 4.47Å; W737-L755 HydrophobicContact CD2-CD2 3.93Å; W737-L755 HydrophobicContact CE3-CD2 4.24Å; W737-L755 HydrophobicContact CG-CD1 4.38Å; W737-L755 HydrophobicContact CG-CD2 4.02Å; L755-Y757 HydrophobicContact CB-CD2 4.22Å; L755-Y757 HydrophobicContact CB-CE2 3.67Å; L755-Y757 HydrophobicContact CD1-CE2 3.82Å; L755-Y757 WeakPolarHBondContact CD1-OH 3.44Å; L755-Y757 HydrophobicContact CG-CE2 4.39Å; L755-G795 WeakPolarHBondContact O-CA 3.22Å
756	V	81	Confident	69.2	Low	13 Å²	13	45.9 Å²	45.9	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.8	167.7	-173.2	0	0	0	0	107.7	V687 W737 I738 Q739	V687-V756 HydrophobicContact CB-CG2 4.02Å; V687-V756 HydrophobicContact CG1-CG2 3.78Å; V687-V756 HydrophobicContact CG2-CG2 3.81Å; W737-V756 CarbonylContact C-O 3.57Å; W737-V756 WeakPolarHBondContact CA-O 3.36Å; W737-V756 WeakPolarHBondContact CB-O 3.43Å; I738-V756 HydrophobicContact CD1-CG1 4.31Å; I738-V756 HydrophobicContact CG1-CB 4.32Å; I738-V756 HydrophobicContact CG1-CG1 4.13Å; I738-V756 WeakPolarHBondContact CG1-O 3.45Å; I738-V756 PolarHBondContact N-O 3.36Å; Q739-V756 HydrophobicContact CB-CB 4.16Å; Q739-V756 HydrophobicContact CB-CG2 4.2Å; Q739-V756 PolarHBondContact N-O 2.87Å; Q739-V756 PolarHBondContact O-N 3.18Å
757	Y	74	Confident	67.3	Low	17 Å²	17	40.5 Å²	40.5	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	157.6	170.7	-69.3	-104.2	0	0	0	110	L659 L734 W737 L755 P759 D793 A794 G795	L659-Y757 HydrophobicContact CD2-CE2 3.59Å; L734-Y757 HydrophobicContact CB-CE1 4.01Å; L734-Y757 VanDerWaalsContact CB-OH 3.32Å; L734-Y757 WeakPolarHBondContact CB-OH 3.3Å; L734-Y757 WeakPolarHBondContact O-CE1 3.42Å; L734-Y757 PolarHBondContact O-OH 3.03Å; W737-Y757 HydrophobicContact CB-CD1 4.07Å; W737-Y757 HydrophobicContact CB-CD2 4.12Å; W737-Y757 HydrophobicContact CB-CE1 3.84Å; W737-Y757 HydrophobicContact CB-CE2 3.9Å; W737-Y757 HydrophobicContact CB-CG 4.2Å; L755-Y757 HydrophobicContact CB-CD2 4.22Å; L755-Y757 HydrophobicContact CB-CE2 3.67Å; L755-Y757 HydrophobicContact CD1-CE2 3.82Å; L755-Y757 WeakPolarHBondContact CD1-OH 3.44Å; L755-Y757 HydrophobicContact CG-CE2 4.39Å; Y757-P759 WeakPolarHBondContact O-CD 3.23Å; Y757-D793 PolarHBondContact N-OD1 3.02Å; Y757-A794 HydrophobicContact CD1-CB 4.28Å; Y757-A794 HydrophobicContact CD2-CB 3.85Å; Y757-A794 HydrophobicContact CE2-CB 4.21Å; Y757-A794 HydrophobicContact CG-CB 3.89Å; Y757-G795 VanDerWaalsContact CD2-N 3.3Å
758	D	66.1	Low	65.9	Low	11 Å²	11	36.1 Å²	36.1	6%	0.059	23%	0.228	C	C	.	.			trans	-69.4	114.9	174.8	-169.8	-4.9	0	0	0	109.6	I374 S376 I738 V760	I374-D758 HydrophobicContact CG2-CB 3.69Å; I374-D758 WeakPolarHBondContact CG2-OD2 3.37Å; S376-D758 VanDerWaalsContact CA-OD2 3.31Å; S376-D758 WeakPolarHBondContact CA-OD2 3.46Å; S376-D758 WeakPolarHBondContact CB-OD2 3.35Å; S376-D758 PolarHBondContact N-OD2 2.73Å; S376-D758 VanDerWaalsContact OG-CG 3.29Å; S376-D758 PolarHBondContact OG-OD1 2.77Å; S376-D758 PolarHBondContact OG-OD2 3.42Å; I738-D758 HydrophobicContact CG2-CB 4.26Å; D758-V760 PolarHBondContact O-N 3.03Å; D758-V760 VanDerWaalsContact O-N 3.13Å
759	P	57.4	Low	64.2	Low	8 Å²	8	36.1 Å²	36.1	5%	0.052	22%	0.22	C	C	.	.			trans	-72.4	110.9	-174.1	28.7	-32.7	0	0	0	110.4	V704 W707 Y757 D793	V704-P759 HydrophobicContact CG1-CG 4.32Å; W707-P759 HydrophobicContact CZ3-CG 4.12Å; Y757-P759 WeakPolarHBondContact O-CD 3.23Å; P759-D793 HydrophobicContact CB-CB 4.42Å
760	V	53.2	Low	62.8	Low	19 Å²	19	35.4 Å²	35.4	12%	0.115	20%	0.202	C	C	.	.			trans	-58.7	151.1	177.2	-177.5	0	0	0	0	110.7	C373 R694 D758 P762 N790	C373-V760 WeakPolarHBondContact O-CG2 3.45Å; R694-V760 PolarHBondContact NH1-O 3.14Å; D758-V760 PolarHBondContact O-N 3.03Å; D758-V760 VanDerWaalsContact O-N 3.13Å; V760-P762 WeakPolarHBondContact O-CD 3.11Å; V760-N790 WeakPolarHBondContact CB-O 3.31Å; V760-N790 HydrophobicContact CG1-CB 4.5Å; V760-N790 WeakPolarHBondContact CG1-O 3.28Å
761	W	47.6	Very low	61.3	Low	25 Å²	25	34.9 Å²	34.9	10%	0.095	21%	0.213	C	C	.	.			trans	-99.9	103.3	-157	169.3	-129.4	0	0	0	112.8	A343 Y375 R700 A763 W769	A343-W761 PolarHBondContact O-NE1 2.86Å; Y375-W761 HydrophobicContact CD1-CB 3.74Å; Y375-W761 HydrophobicContact CD1-CG 4.46Å; Y375-W761 HydrophobicContact CD2-CB 3.71Å; Y375-W761 HydrophobicContact CD2-CG 4.47Å; Y375-W761 HydrophobicContact CE1-CB 3.66Å; Y375-W761 AromaticContact CE1-CG 3.88Å; Y375-W761 HydrophobicContact CE1-CG 3.88Å; Y375-W761 HydrophobicContact CE2-CB 3.62Å; Y375-W761 AromaticContact CE2-CD1 3.51Å; Y375-W761 AromaticContact CE2-CG 3.89Å; Y375-W761 HydrophobicContact CE2-CG 3.89Å; Y375-W761 HydrophobicContact CG-CB 3.78Å; Y375-W761 AromaticContact CZ-CD1 3.27Å; Y375-W761 AromaticContact CZ-CG 3.57Å; Y375-W761 PolarHBondContact OH-NE1 3.42Å; R700-W761 VanDerWaalsContact CZ-CZ3 3.46Å; R700-W761 VanDerWaalsContact NH1-CZ3 3.35Å; W761-A763 VanDerWaalsContact C-N 3.27Å; W761-A763 HydrophobicContact CD2-CB 4.13Å; W761-A763 VanDerWaalsContact CE2-CB 3.42Å; W761-A763 HydrophobicContact CG-CB 4.33Å; W761-A763 HydrophobicContact CZ2-CB 3.71Å; W761-A763 VanDerWaalsContact NE1-CB 3.29Å; W761-A763 PolarHBondContact O-N 3.16Å; W761-W769 HydrophobicContact CH2-CH2 4.39Å; W761-W769 AromaticContact CH2-CZ2 3.62Å; W761-W769 HydrophobicContact CH2-CZ2 3.62Å; W761-W769 HydrophobicContact CZ3-CH2 4.44Å; W761-W769 AromaticContact CZ3-CZ2 3.68Å; W761-W769 HydrophobicContact CZ3-CZ2 3.68Å
762	P	47.4	Very low	59.5	Low	8 Å²	8	40.1 Å²	40.1	5%	0.052	24%	0.237	C	C	.	.			trans	-77.6	83.6	164	27.6	-24.3	0	0	0	108.8	V760 D765 T768 Q776 A779 T791	V760-P762 WeakPolarHBondContact O-CD 3.11Å; P762-D765 HydrophobicContact CB-CB 4.4Å; P762-T768 HydrophobicContact CB-CG2 4.29Å; P762-T768 HydrophobicContact CG-CG2 4.26Å; P762-Q776 PolarHBondContact O-NE2 2.77Å; P762-A779 HydrophobicContact CG-CB 4.06Å; P762-T791 HydrophobicContact CB-CG2 3.95Å; P762-T791 HydrophobicContact CG-CG2 3.94Å
763	A	39.3	Very low	57.6	Low	21 Å²	21	45.7 Å²	45.7	17%	0.174	27%	0.267	C	S	.	.	S	Bend	trans	-70.6	-39.1	164.9	0	0	0	0	0	111.1	W761	W761-A763 VanDerWaalsContact C-N 3.27Å; W761-A763 HydrophobicContact CD2-CB 4.13Å; W761-A763 VanDerWaalsContact CE2-CB 3.42Å; W761-A763 HydrophobicContact CG-CB 4.33Å; W761-A763 HydrophobicContact CZ2-CB 3.71Å; W761-A763 VanDerWaalsContact NE1-CB 3.29Å; W761-A763 PolarHBondContact O-N 3.16Å
764	S	38.4	Very low	55.5	Low	67 Å²	67	50.5 Å²	50.5	47%	0.469	29%	0.292	S	S	.	.	S	Bend	trans	-79.8	-33.8	-168	42	0	0	0	0	113.6	T766	S764-T766 PolarHBondContact O-N 3.03Å; S764-T766 VanDerWaalsContact O-N 3.15Å
765	D	44.8	Very low	53.3	Low	76 Å²	76	53.1 Å²	53.1	41%	0.406	31%	0.308	S	S	.	.			trans	-81.7	95.9	178.4	-174.5	7.5	0	0	0	111.4	P762 A767 T768	P762-D765 HydrophobicContact CB-CB 4.4Å; D765-A767 PolarHBondContact O-N 3.01Å; D765-A767 WeakPolarHBondContact OD1-CA 3.34Å; D765-A767 WeakPolarHBondContact OD1-CB 3.41Å; D765-A767 PolarHBondContact OD1-N 3.32Å; D765-T768 HydrophobicContact CB-CG2 3.98Å; D765-T768 PolarHBondContact O-N 3.32Å; D765-T768 VanDerWaalsContact O-N 3.16Å; D765-T768 PolarHBondContact O-OG1 2.04Å; D765-T768 WeakPolarHBondContact OD2-CG2 3Å
766	T	41.9	Very low	51.5	Low	115 Å²	115	53.1 Å²	53.1	71%	0.706	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.4	175	53.5	0	0	0	0	113.2	S764 T768 W769	S764-T766 PolarHBondContact O-N 3.03Å; S764-T766 VanDerWaalsContact O-N 3.15Å; T766-T768 PolarHBondContact O-N 2.76Å; T766-W769 PolarHBondContact O-N 3.13Å
767	A	41.1	Very low	50	Low	80 Å²	80	56.5 Å²	56.5	66%	0.661	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-71.2	-13.9	175.1	0	0	0	0	0	113	D765 W769	D765-A767 PolarHBondContact O-N 3.01Å; D765-A767 WeakPolarHBondContact OD1-CA 3.34Å; D765-A767 WeakPolarHBondContact OD1-CB 3.41Å; D765-A767 PolarHBondContact OD1-N 3.32Å; A767-W769 VanDerWaalsContact C-N 3.27Å; A767-W769 PolarHBondContact O-N 3.43Å
768	T	47.6	Very low	48.7	Very low	9 Å²	9	56.3 Å²	56.3	6%	0.055	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-77.9	-8.7	172.2	66.6	0	0	0	0	113.8	P762 D765 T766 Q776 I777 A779	P762-T768 HydrophobicContact CB-CG2 4.29Å; P762-T768 HydrophobicContact CG-CG2 4.26Å; D765-T768 HydrophobicContact CB-CG2 3.98Å; D765-T768 PolarHBondContact O-N 3.32Å; D765-T768 VanDerWaalsContact O-N 3.16Å; D765-T768 PolarHBondContact O-OG1 2.04Å; D765-T768 WeakPolarHBondContact OD2-CG2 3Å; T766-T768 PolarHBondContact O-N 2.76Å; T768-Q776 CarbonylContact O-C 3.49Å; T768-Q776 WeakPolarHBondContact O-CA 3.34Å; T768-Q776 WeakPolarHBondContact O-CG 3.21Å; T768-Q776 PolarHBondContact OG1-NE2 3Å; T768-I777 PolarHBondContact O-N 3.48Å; T768-A779 HydrophobicContact CG2-CB 3.63Å
769	W	45.5	Very low	47.7	Very low	57 Å²	57	56 Å²	56	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.6	-173.3	-73.6	88.3	0	0	0	112.7	L696 W761 T766 A767 V771 Q776	L696-W769 HydrophobicContact CD2-CZ3 4.08Å; W761-W769 HydrophobicContact CH2-CH2 4.39Å; W761-W769 AromaticContact CH2-CZ2 3.62Å; W761-W769 HydrophobicContact CH2-CZ2 3.62Å; W761-W769 HydrophobicContact CZ3-CH2 4.44Å; W761-W769 AromaticContact CZ3-CZ2 3.68Å; W761-W769 HydrophobicContact CZ3-CZ2 3.68Å; T766-W769 PolarHBondContact O-N 3.13Å; A767-W769 VanDerWaalsContact C-N 3.27Å; A767-W769 PolarHBondContact O-N 3.43Å; W769-V771 PolarHBondContact O-N 2.91Å; W769-V771 VanDerWaalsContact O-N 3.07Å; W769-Q776 HydrophobicContact CD2-CB 4.2Å; W769-Q776 HydrophobicContact CD2-CG 4.14Å; W769-Q776 HydrophobicContact CE3-CB 4.1Å; W769-Q776 HydrophobicContact CH2-CB 3.79Å; W769-Q776 HydrophobicContact CH2-CG 4.33Å; W769-Q776 HydrophobicContact CZ2-CB 3.88Å; W769-Q776 VanDerWaalsContact CZ2-CD 3.46Å; W769-Q776 HydrophobicContact CZ2-CG 3.89Å; W769-Q776 HydrophobicContact CZ3-CB 3.9Å; W769-Q776 VanDerWaalsContact NE1-NE2 3.18Å
770	D	51.6	Low	47.3	Very low	43 Å²	43	55.8 Å²	55.8	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	95.7	160.4	-172.1	-24.7	0	0	0	108.6	N772 N773 L774 V775 I777	D770-N772 PolarHBondContact O-N 3.45Å; D770-N772 WeakPolarHBondContact OD1-CA 3.32Å; D770-N772 WeakPolarHBondContact OD1-CB 3.15Å; D770-N772 PolarHBondContact OD1-N 3.24Å; D770-N773 HydrophobicContact CB-CB 4.3Å; D770-N773 PolarHBondContact O-N 2.91Å; D770-N773 PolarHBondContact OD1-N 3.16Å; D770-N773 PolarHBondContact OD2-ND2 2.87Å; D770-L774 PolarHBondContact O-N 2.75Å; D770-V775 PolarHBondContact N-O 2.54Å; D770-V775 VanDerWaalsContact N-O 3.13Å; D770-I777 HydrophobicContact CB-CD1 4.42Å; D770-I777 HydrophobicContact CB-CG1 4.25Å
771	V	52.3	Low	46.7	Very low	114 Å²	114	55 Å²	55	69%	0.691	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	-179.1	-167.1	0	0	0	0	111.9	W769	W769-V771 PolarHBondContact O-N 2.91Å; W769-V771 VanDerWaalsContact O-N 3.07Å
772	N	52.5	Low	46.1	Very low	151 Å²	151	53.8 Å²	53.8	81%	0.807	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-43.3	-178.7	-57.3	-55.3	0	0	0	111.5	D770	D770-N772 PolarHBondContact O-N 3.45Å; D770-N772 WeakPolarHBondContact OD1-CA 3.32Å; D770-N772 WeakPolarHBondContact OD1-CB 3.15Å; D770-N772 PolarHBondContact OD1-N 3.24Å
773	N	54	Low	45.4	Very low	117 Å²	117	54 Å²	54	63%	0.626	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.2	179.4	-73.1	-57.4	0	0	0	113.9	D770 V775	D770-N773 HydrophobicContact CB-CB 4.3Å; D770-N773 PolarHBondContact O-N 2.91Å; D770-N773 PolarHBondContact OD1-N 3.16Å; D770-N773 PolarHBondContact OD2-ND2 2.87Å; N773-V775 PolarHBondContact O-N 3.46Å
774	L	51	Low	45	Very low	106 Å²	106	53.7 Å²	53.7	56%	0.555	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	27.3	-178.2	-61.5	173.6	0	0	0	114	L696 D770	L696-L774 HydrophobicContact CD1-CB 4.24Å; L696-L774 HydrophobicContact CD2-CB 4.23Å; L696-L774 WeakPolarHBondContact CD2-O 3.48Å; D770-L774 PolarHBondContact O-N 2.75Å
775	V	46.4	Very low	44.7	Very low	55 Å²	55	51.3 Å²	51.3	33%	0.333	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.7	-179.4	173.4	0	0	0	0	109.2	D770 N773 I777	D770-V775 PolarHBondContact N-O 2.54Å; D770-V775 VanDerWaalsContact N-O 3.13Å; N773-V775 PolarHBondContact O-N 3.46Å; V775-I777 PolarHBondContact O-N 3.4Å
776	Q	48.2	Very low	43.9	Very low	4 Å²	4	51.6 Å²	51.6	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.2	167.6	-161	170.8	28.8	0	0	108.6	R694 P762 T768 W769	R694-Q776 HydrophobicContact CB-CB 4.31Å; P762-Q776 PolarHBondContact O-NE2 2.77Å; T768-Q776 CarbonylContact O-C 3.49Å; T768-Q776 WeakPolarHBondContact O-CA 3.34Å; T768-Q776 WeakPolarHBondContact O-CG 3.21Å; T768-Q776 PolarHBondContact OG1-NE2 3Å; W769-Q776 HydrophobicContact CD2-CB 4.2Å; W769-Q776 HydrophobicContact CD2-CG 4.14Å; W769-Q776 HydrophobicContact CE3-CB 4.1Å; W769-Q776 HydrophobicContact CH2-CB 3.79Å; W769-Q776 HydrophobicContact CH2-CG 4.33Å; W769-Q776 HydrophobicContact CZ2-CB 3.88Å; W769-Q776 VanDerWaalsContact CZ2-CD 3.46Å; W769-Q776 HydrophobicContact CZ2-CG 3.89Å; W769-Q776 HydrophobicContact CZ3-CB 3.9Å; W769-Q776 VanDerWaalsContact NE1-NE2 3.18Å
777	I	50	Low	43.6	Very low	84 Å²	84	47.8 Å²	47.8	43%	0.431	27%	0.273	S	S	.	.			trans	-64.6	139.8	173.8	-45.5	175.5	0	0	0	107.1	T768 D770 V775 A779	T768-I777 PolarHBondContact O-N 3.48Å; D770-I777 HydrophobicContact CB-CD1 4.42Å; D770-I777 HydrophobicContact CB-CG1 4.25Å; V775-I777 PolarHBondContact O-N 3.4Å; I777-A779 PolarHBondContact O-N 2.91Å
778	N	46.9	Very low	43.4	Very low	13 Å²	13	44.1 Å²	44.1	7%	0.07	24%	0.242	C	C	.	.			trans	-59.9	93.6	-175	-114.1	-16.7	0	0	0	111.8	C690 G691 V692 I710 N780 N810	C690-N778 PolarHBondContact O-ND2 3.5Å; C690-N778 VanDerWaalsContact O-ND2 3.08Å; G691-N778 WeakPolarHBondContact CA-ND2 3.44Å; V692-N778 PolarHBondContact O-OD1 3.31Å; I710-N778 WeakPolarHBondContact CD1-ND2 3.24Å; N778-N780 VanDerWaalsContact C-N 3.31Å; N778-N780 PolarHBondContact O-N 3.41Å; N778-N810 VanDerWaalsContact O-CA 3.23Å; N778-N810 WeakPolarHBondContact O-CA 3.41Å; N778-N810 WeakPolarHBondContact O-CB 3.04Å; N778-N810 PolarHBondContact O-OD1 3.15Å
779	A	45.8	Very low	42.7	Very low	4 Å²	4	44.4 Å²	44.4	3%	0.033	25%	0.246	C	C	.	.			trans	-75.9	82.8	177.3	0	0	0	0	0	109.8	R694 P762 T768 I777 G781 T791	R694-A779 PolarHBondContact NH2-O 2.89Å; P762-A779 HydrophobicContact CG-CB 4.06Å; T768-A779 HydrophobicContact CG2-CB 3.63Å; I777-A779 PolarHBondContact O-N 2.91Å; A779-G781 PolarHBondContact O-N 3.17Å; A779-T791 CarbonylContact O-C 3.55Å; A779-T791 VanDerWaalsContact O-C 3.28Å; A779-T791 WeakPolarHBondContact O-CB 3.45Å; A779-T791 VanDerWaalsContact O-O 3.05Å; A779-T791 PolarHBondContact O-OG1 2.88Å
780	N	47.2	Very low	42.4	Very low	3 Å²	3	42.5 Å²	42.5	2%	0.016	24%	0.24	C	C	.	.			trans	-81.9	49.1	177	-74.8	6	0	0	0	110.7	N778 A782 Q792 D799 N810 G811	N778-N780 VanDerWaalsContact C-N 3.31Å; N778-N780 PolarHBondContact O-N 3.41Å; N780-A782 PolarHBondContact O-N 2.79Å; N780-A782 VanDerWaalsContact O-N 3.11Å; N780-Q792 VanDerWaalsContact C-CB 3.48Å; N780-Q792 HydrophobicContact CB-CB 4.44Å; N780-Q792 HydrophobicContact CB-CG 3.92Å; N780-Q792 PolarHBondContact O-OE1 3.3Å; N780-D799 WeakPolarHBondContact CB-OD1 3.26Å; N780-D799 WeakPolarHBondContact O-CB 3.3Å; N780-D799 VanDerWaalsContact O-OD2 3.12Å; N780-N810 PolarHBondContact N-OD1 2.92Å; N780-G811 WeakPolarHBondContact ND2-CA 3.46Å; N780-G811 PolarHBondContact ND2-N 2.9Å; N780-G811 VanDerWaalsContact ND2-N 3.15Å
781	G	42.3	Very low	42.2	Very low	2 Å²	2	42 Å²	42	2%	0.021	24%	0.238	C	C	.	.			trans	-77.3	104	-164.7	0	0	0	0	0	115.5	A779 G783 T791	A779-G781 PolarHBondContact O-N 3.17Å; G781-G783 VanDerWaalsContact C-N 3.3Å; G781-G783 PolarHBondContact O-N 2.78Å; G781-T791 WeakPolarHBondContact CA-OG1 3.4Å; G781-T791 PolarHBondContact N-OG1 3.01Å; G781-T791 PolarHBondContact O-OG1 2.88Å
782	A	33.2	Very low	42.4	Very low	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.			trans	-75.1	71.6	171	0	0	0	0	0	112.4	G648 N780 S788 D799	G648-A782 VanDerWaalsContact CA-O 3.32Å; G648-A782 WeakPolarHBondContact CA-O 3.16Å; G648-A782 PolarHBondContact N-O 3.47Å; G648-A782 VanDerWaalsContact N-O 3.1Å; N780-A782 PolarHBondContact O-N 2.79Å; N780-A782 VanDerWaalsContact O-N 3.11Å; A782-S788 VanDerWaalsContact CA-OG 3.29Å; A782-S788 WeakPolarHBondContact CA-OG 3.04Å; A782-D799 HydrophobicContact CB-CB 4.32Å
783	G	32.7	Very low	43.3	Very low	14 Å²	14	30.3 Å²	30.3	14%	0.144	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-48.9	167	176.6	0	0	0	0	0	115.9	R646 G648 G781 S788	R646-G783 CarbonylContact O-C 3.5Å; R646-G783 VanDerWaalsContact O-C 3.29Å; R646-G783 VanDerWaalsContact O-CA 3.24Å; R646-G783 WeakPolarHBondContact O-CA 3.19Å; G648-G783 WeakPolarHBondContact CA-O 3.26Å; G648-G783 PolarHBondContact N-O 2.92Å; G781-G783 VanDerWaalsContact C-N 3.3Å; G781-G783 PolarHBondContact O-N 2.78Å; G783-S788 WeakPolarHBondContact O-CB 3.16Å
784	V	31.1	Very low	44.2	Very low	14 Å²	14	25.1 Å²	25.1	9%	0.085	15%	0.145	C	C	.	.	S	Bend	trans	-49.8	155.9	178.9	-144.5	0	0	0	0	112.3	D610 Y627 R646 Y787	D610-V784 HydrophobicContact CB-CG1 3.98Å; Y627-V784 HydrophobicContact CD1-CG2 3.39Å; Y627-V784 HydrophobicContact CE1-CG2 3.94Å; Y627-V784 HydrophobicContact CG-CG2 3.96Å; R646-V784 PolarHBondContact O-N 3.07Å; V784-Y787 CarbonylContact O-C 3.54Å; V784-Y787 VanDerWaalsContact O-CA 3.3Å; V784-Y787 WeakPolarHBondContact O-CA 3.04Å; V784-Y787 WeakPolarHBondContact O-CB 3.02Å; V784-Y787 WeakPolarHBondContact O-CD2 3.48Å; V784-Y787 PolarHBondContact O-N 2.96Å
785	G	32.3	Very low	45.7	Very low	17 Å²	17	20.1 Å²	20.1	18%	0.175	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	-136.8	169.7	0	0	0	0	0	114.9	R650 Y787	R650-G785 PolarHBondContact NH2-O 3.45Å; G785-Y787 VanDerWaalsContact C-N 3.25Å
786	L	28.8	Very low	47.6	Very low	82 Å²	82	17.6 Å²	17.6	43%	0.429	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.1	171.8	-154.5	73.5	0	0	0	112.5	V452 S788	V452-L786 HydrophobicContact CG2-CG 4.37Å; V452-L786 WeakPolarHBondContact CG2-O 3.45Å; L786-S788 PolarHBondContact O-N 2.96Å
787	Y	35.5	Very low	49.6	Very low	34 Å²	34	17.4 Å²	17.4	13%	0.133	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	26.9	-177.1	-34.5	-80	0	0	0	113.6	Q262 H455 D456 V784 G785	Q262-Y787 PolarHBondContact NE2-OH 3.3Å; Q262-Y787 PolarHBondContact OE1-OH 3.45Å; H455-Y787 HydrophobicContact CB-CD1 3.46Å; H455-Y787 VanDerWaalsContact CB-CD1 3.46Å; H455-Y787 HydrophobicContact CB-CE1 3.35Å; H455-Y787 AromaticContact CD2-CE1 3.87Å; H455-Y787 AromaticContact CG-CD1 3.9Å; H455-Y787 AromaticContact CG-CE1 3.29Å; H455-Y787 AromaticContact ND1-CE1 3.63Å; H455-Y787 WeakPolarHBondContact O-CD1 3.4Å; H455-Y787 WeakPolarHBondContact O-CE1 3.45Å; D456-Y787 HydrophobicContact CB-CD1 4.29Å; V784-Y787 CarbonylContact O-C 3.54Å; V784-Y787 VanDerWaalsContact O-CA 3.3Å; V784-Y787 WeakPolarHBondContact O-CA 3.04Å; V784-Y787 WeakPolarHBondContact O-CB 3.02Å; V784-Y787 WeakPolarHBondContact O-CD2 3.48Å; V784-Y787 PolarHBondContact O-N 2.96Å; G785-Y787 VanDerWaalsContact C-N 3.25Å
788	S	36.4	Very low	51.2	Low	3 Å²	3	13.4 Å²	13.4	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-13.4	-162.4	176.8	0	0	0	0	114.5	R650 A782 G783 L786 N790	R650-S788 PolarHBondContact NE-OG 3.13Å; A782-S788 VanDerWaalsContact CA-OG 3.29Å; A782-S788 WeakPolarHBondContact CA-OG 3.04Å; G783-S788 WeakPolarHBondContact O-CB 3.16Å; L786-S788 PolarHBondContact O-N 2.96Å; S788-N790 VanDerWaalsContact C-N 3.34Å
789	A	32.3	Very low	52.9	Low	16 Å²	16	12.8 Å²	12.8	13%	0.132	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.7	-177.7	0	0	0	0	0	113.3	V452 T791	V452-A789 HydrophobicContact CB-CB 4.36Å; V452-A789 HydrophobicContact CG1-CB 3.84Å; V452-A789 HydrophobicContact CG2-CB 3.55Å; A789-T791 PolarHBondContact O-N 2.94Å; A789-T791 VanDerWaalsContact O-N 3.11Å
790	N	40.9	Very low	54.9	Low	17 Å²	17	12.6 Å²	12.6	9%	0.091	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.8	-164.6	-64.6	4.2	0	0	0	114.6	R346 C453 D456 V760 S788	R346-N790 PolarHBondContact NH2-ND2 2.72Å; C453-N790 WeakPolarHBondContact CA-OD1 3.36Å; C453-N790 WeakPolarHBondContact CB-OD1 3.32Å; D456-N790 PolarHBondContact OD1-ND2 3.12Å; D456-N790 VanDerWaalsContact OD1-ND2 3.17Å; V760-N790 WeakPolarHBondContact CB-O 3.31Å; V760-N790 HydrophobicContact CG1-CB 4.5Å; V760-N790 WeakPolarHBondContact CG1-O 3.28Å; S788-N790 VanDerWaalsContact C-N 3.34Å
791	T	47.1	Very low	57	Low	31 Å²	31	12.9 Å²	12.9	19%	0.19	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.1	-34	166.5	58.7	0	0	0	0	113.3	R694 P762 A779 G781 A789	R694-T791 PolarHBondContact NH2-O 3.2Å; P762-T791 HydrophobicContact CB-CG2 3.95Å; P762-T791 HydrophobicContact CG-CG2 3.94Å; A779-T791 CarbonylContact O-C 3.55Å; A779-T791 VanDerWaalsContact O-C 3.28Å; A779-T791 WeakPolarHBondContact O-CB 3.45Å; A779-T791 VanDerWaalsContact O-O 3.05Å; A779-T791 PolarHBondContact O-OG1 2.88Å; G781-T791 WeakPolarHBondContact CA-OG1 3.4Å; G781-T791 PolarHBondContact N-OG1 3.01Å; G781-T791 PolarHBondContact O-OG1 2.88Å; A789-T791 PolarHBondContact O-N 2.94Å; A789-T791 VanDerWaalsContact O-N 3.11Å
792	Q	56.6	Low	59.4	Low	9 Å²	9	15.6 Å²	15.6	4%	0.042	10%	0.097	C	C	.	.	S	Bend	trans	-75.1	127.6	174.4	-168	159.3	22.5	0	0	112	N780 A794 M796 V797	N780-Q792 VanDerWaalsContact C-CB 3.48Å; N780-Q792 HydrophobicContact CB-CB 4.44Å; N780-Q792 HydrophobicContact CB-CG 3.92Å; N780-Q792 PolarHBondContact O-OE1 3.3Å; Q792-A794 PolarHBondContact O-N 2.99Å; Q792-M796 HydrophobicContact CG-CB 4.34Å; Q792-V797 PolarHBondContact NE2-O 3.31Å
793	D	70.6	Confident	62.3	Low	11 Å²	11	16.4 Å²	16.4	6%	0.059	10%	0.102	C	C	.	.			trans	-56.5	110.2	159.8	164.5	-1.2	0	0	0	108.1	R722 Y757 P759 G795 M796	R722-D793 IonicContact CZ-OD2 2.75Å; R722-D793 VanDerWaalsContact NH1-CG 3.25Å; R722-D793 IonicContact NH1-OD1 3.91Å; R722-D793 PolarHBondContact NH1-OD1 3.37Å; R722-D793 VanDerWaalsContact NH1-OD1 3.12Å; R722-D793 IonicContact NH1-OD2 3.12Å; R722-D793 PolarHBondContact NH1-OD2 2.88Å; R722-D793 IonicContact NH2-OD2 3.27Å; R722-D793 PolarHBondContact NH2-OD2 3.03Å; Y757-D793 PolarHBondContact N-OD1 3.02Å; P759-D793 HydrophobicContact CB-CB 4.42Å; D793-G795 PolarHBondContact O-N 2.87Å; D793-G795 PolarHBondContact OD1-N 3.29Å; D793-M796 HydrophobicContact CB-CG 3.92Å; D793-M796 VanDerWaalsContact O-CB 3.28Å; D793-M796 WeakPolarHBondContact O-CB 3.34Å; D793-M796 WeakPolarHBondContact O-CG 3.46Å; D793-M796 PolarHBondContact O-N 3.13Å
794	A	74.1	Confident	64.8	Low	9 Å²	9	19.2 Å²	19.2	7%	0.074	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.1	-173.3	0	0	0	0	0	113.9	W655 L659 Y757 Q792 M796	W655-A794 HydrophobicContact CZ2-CB 4.02Å; W655-A794 PolarHBondContact NE1-O 2.89Å; L659-A794 HydrophobicContact CD2-CB 4.5Å; L659-A794 WeakPolarHBondContact CD2-O 3.38Å; Y757-A794 HydrophobicContact CD1-CB 4.28Å; Y757-A794 HydrophobicContact CD2-CB 3.85Å; Y757-A794 HydrophobicContact CE2-CB 4.21Å; Y757-A794 HydrophobicContact CG-CB 3.89Å; Q792-A794 PolarHBondContact O-N 2.99Å; A794-M796 VanDerWaalsContact C-N 3.33Å
795	G	82.4	Confident	67.4	Low	1 Å²	1	29.7 Å²	29.7	1%	0.01	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.1	172.9	0	0	0	0	0	114.4	R722 L723 L755 Y757 D793	R722-G795 WeakPolarHBondContact CD-O 3.49Å; R722-G795 VanDerWaalsContact NH1-C 3.32Å; R722-G795 PolarHBondContact NH1-O 3.32Å; L723-G795 WeakPolarHBondContact CB-O 3.23Å; L723-G795 PolarHBondContact N-O 3.14Å; L755-G795 WeakPolarHBondContact O-CA 3.22Å; Y757-G795 VanDerWaalsContact CD2-N 3.3Å; D793-G795 PolarHBondContact O-N 2.87Å; D793-G795 PolarHBondContact OD1-N 3.29Å
796	M	85.9	Confident	70.2	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-81.1	161.8	173.7	-64.3	-65.9	-70.4	0	0	111.6	G691 R722 Q792 D793 A794	G691-M796 VanDerWaalsContact N-CE 3.31Å; R722-M796 VanDerWaalsContact CZ-SD 3.55Å; R722-M796 PolarHBondContact NH2-SD 3.49Å; R722-M796 VanDerWaalsContact NH2-SD 3.4Å; Q792-M796 HydrophobicContact CG-CB 4.34Å; D793-M796 HydrophobicContact CB-CG 3.92Å; D793-M796 VanDerWaalsContact O-CB 3.28Å; D793-M796 WeakPolarHBondContact O-CB 3.34Å; D793-M796 WeakPolarHBondContact O-CG 3.46Å; D793-M796 PolarHBondContact O-N 3.13Å; A794-M796 VanDerWaalsContact C-N 3.33Å
797	V	89.6	Confident	73.2	Confident	1 Å²	1	26 Å²	26	1%	0.006	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-64	126.5	166.5	170.2	0	0	0	0	108.6	A652 F672 G721 L723 Q792 D799 T801 C808	A652-V797 HydrophobicContact CB-CG1 4.25Å; F672-V797 HydrophobicContact CE1-CG2 3.89Å; G721-V797 WeakPolarHBondContact O-CG2 3.36Å; G721-V797 PolarHBondContact O-N 3.31Å; L723-V797 HydrophobicContact CB-CG2 4.02Å; L723-V797 HydrophobicContact CD1-CG2 4.07Å; Q792-V797 PolarHBondContact NE2-O 3.31Å; V797-D799 PolarHBondContact O-N 3.16Å; V797-T801 HydrophobicContact CG1-CG2 3.81Å; V797-C808 HydrophobicContact CG1-CB 4.28Å
798	P	84.1	Confident	75.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-56	138.4	-176.9	-26.6	33.8	0	0	0	112.9	R650 W655 T801	R650-P798 HydrophobicContact CB-CB 3.57Å; R650-P798 HydrophobicContact CB-CG 4.03Å; W655-P798 HydrophobicContact CB-CG 3.58Å; W655-P798 VanDerWaalsContact CD1-CG 3.49Å; W655-P798 HydrophobicContact CD2-CG 4.04Å; W655-P798 HydrophobicContact CG-CG 3.42Å; W655-P798 VanDerWaalsContact CG-CG 3.42Å; P798-T801 VanDerWaalsContact O-CB 3.22Å; P798-T801 WeakPolarHBondContact O-CB 3.33Å; P798-T801 PolarHBondContact O-N 2.81Å; P798-T801 PolarHBondContact O-OG1 2.98Å
799	D	83	Confident	78.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	144.1	165.9	-88.4	14.5	0	0	0	109.6	I645 R646 N780 A782 V797 T801 C808 Y809 N810	I645-D799 HydrophobicContact CB-CB 4.13Å; I645-D799 HydrophobicContact CG1-CB 4.27Å; I645-D799 HydrophobicContact CG2-CB 3.76Å; R646-D799 IonicContact CZ-OD2 3.19Å; R646-D799 IonicContact NH1-OD2 2.72Å; R646-D799 PolarHBondContact NH1-OD2 2.88Å; N780-D799 WeakPolarHBondContact CB-OD1 3.26Å; N780-D799 WeakPolarHBondContact O-CB 3.3Å; N780-D799 VanDerWaalsContact O-OD2 3.12Å; A782-D799 HydrophobicContact CB-CB 4.32Å; V797-D799 PolarHBondContact O-N 3.16Å; D799-T801 VanDerWaalsContact C-N 3.33Å; D799-C808 CarbonylContact C-O 3.6Å; D799-C808 VanDerWaalsContact CA-O 3.29Å; D799-C808 WeakPolarHBondContact CA-O 3.37Å; D799-Y809 WeakPolarHBondContact OD1-CA 3.36Å; D799-Y809 WeakPolarHBondContact OD2-CD2 3.01Å; D799-N810 VanDerWaalsContact CG-N 3.33Å; D799-N810 PolarHBondContact OD1-N 3.43Å; D799-N810 PolarHBondContact OD2-N 2.04Å; D799-N810 PolarHBondContact OD2-OD1 3.46Å
800	G	86.4	Confident	80.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	-18.3	-172.5	0	0	0	0	0	115	H643 C808	H643-G800 PolarHBondContact N-O 3.21Å; H643-G800 PolarHBondContact ND1-O 2.92Å; H643-G800 WeakPolarHBondContact O-CA 3.45Å; G800-C808 PolarHBondContact N-O 3.29Å
801	T	92.1	Very high	82.5	Confident	9 Å²	9	26.8 Å²	26.8	6%	0.055	14%	0.14	C	C	.	.			trans	-54.7	129.8	174.4	-59.8	0	0	0	0	110.8	E651 A652 V797 P798 D799 C803 F807 C808	E651-T801 WeakPolarHBondContact CA-OG1 3.48Å; E651-T801 HydrophobicContact CB-CG2 4.31Å; A652-T801 HydrophobicContact CB-CG2 4Å; V797-T801 HydrophobicContact CG1-CG2 3.81Å; P798-T801 VanDerWaalsContact O-CB 3.22Å; P798-T801 WeakPolarHBondContact O-CB 3.33Å; P798-T801 PolarHBondContact O-N 2.81Å; P798-T801 PolarHBondContact O-OG1 2.98Å; D799-T801 VanDerWaalsContact C-N 3.33Å; T801-C803 PolarHBondContact O-N 3.33Å; T801-F807 CarbonylContact O-C 3.57Å; T801-F807 WeakPolarHBondContact O-CA 3.2Å; T801-F807 WeakPolarHBondContact O-CB 3.5Å; T801-C808 PolarHBondContact O-N 2.98Å
802	P	93.5	Very high	84.5	Confident	59 Å²	59	26.7 Å²	26.7	38%	0.383	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	133	176.9	-20.8	32.3	0	0	0	112.6	R641	R641-P802 WeakPolarHBondContact O-CG 3.42Å
803	C	92.3	Very high	86.2	Confident	17 Å²	17	27.4 Å²	27.4	12%	0.115	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-177.9	174.9	71.6	0	0	0	0	110.4	T801 R805 G806 F807 C813	T801-C803 PolarHBondContact O-N 3.33Å; C803-R805 VanDerWaalsContact C-N 3.3Å; C803-R805 PolarHBondContact O-N 3.47Å; C803-G806 PolarHBondContact N-O 2.8Å; C803-G806 PolarHBondContact O-N 3.49Å; C803-F807 VanDerWaalsContact SG-CA 3.51Å; C803-F807 PolarHBondContact SG-N 3.42Å; C803-C813 HydrophobicContact CB-CB 3.84Å; C803-C813 WeakPolarHBondContact CB-SG 3.42Å; C803-C813 WeakPolarHBondContact SG-CA 3.41Å; C803-C813 WeakPolarHBondContact SG-CB 3.45Å; C803-C813 CovalentContact SG-SG 2.03Å; C803-C813 PolarHBondContact SG-SG 2.89Å
804	S	86.1	Confident	87.1	Confident	73 Å²	73	30 Å²	30	51%	0.51	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.9	-160.5	-64.8	0	0	0	0	116.4	H716	H716-S804 WeakPolarHBondContact ND1-CB 3.25Å; H716-S804 PolarHBondContact ND1-OG 2.88Å
805	R	85.5	Confident	87.9	Confident	233 Å²	233	31.6 Å²	31.6	88%	0.879	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.7	42.8	173.1	-70.7	-171.2	176.8	168.2	-0.4	111.2	C803	C803-R805 VanDerWaalsContact C-N 3.3Å; C803-R805 PolarHBondContact O-N 3.47Å
806	G	91.6	Very high	88	Confident	21 Å²	21	34 Å²	34	22%	0.216	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-145.5	-173.9	0	0	0	0	0	112.4	C803 K814	C803-G806 PolarHBondContact N-O 2.8Å; C803-G806 PolarHBondContact O-N 3.49Å; G806-K814 VanDerWaalsContact CA-O 3.27Å; G806-K814 WeakPolarHBondContact CA-O 3.2Å
807	F	91.9	Very high	87.7	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.8	171	53.4	-98.7	0	0	0	111.9	H643 I645 T801 C803 Y809 K814 I816 V819	H643-F807 HydrophobicContact CB-CD1 4.17Å; H643-F807 HydrophobicContact CB-CG 4.34Å; H643-F807 AromaticContact CD2-CD1 3.94Å; H643-F807 AromaticContact CE1-CD1 3.84Å; H643-F807 AromaticContact CG-CD1 3.62Å; H643-F807 WeakPolarHBondContact ND1-CB 3.47Å; H643-F807 AromaticContact ND1-CD1 3.57Å; H643-F807 AromaticContact ND1-CG 3.75Å; I645-F807 HydrophobicContact CD1-CD2 4.29Å; I645-F807 HydrophobicContact CD1-CE2 3.68Å; I645-F807 HydrophobicContact CD1-CZ 4.31Å; I645-F807 HydrophobicContact CG1-CE2 4.43Å; T801-F807 CarbonylContact O-C 3.57Å; T801-F807 WeakPolarHBondContact O-CA 3.2Å; T801-F807 WeakPolarHBondContact O-CB 3.5Å; C803-F807 VanDerWaalsContact SG-CA 3.51Å; C803-F807 PolarHBondContact SG-N 3.42Å; F807-Y809 PolarHBondContact O-N 2.85Å; F807-K814 PolarHBondContact N-O 3.01Å; F807-K814 PolarHBondContact O-N 3.4Å; F807-I816 HydrophobicContact CE1-CB 3.91Å; F807-I816 HydrophobicContact CE1-CG1 4.12Å; F807-V819 HydrophobicContact CE2-CB 4.06Å; F807-V819 HydrophobicContact CE2-CG1 4.05Å; F807-V819 HydrophobicContact CE2-CG2 3.82Å; F807-V819 HydrophobicContact CZ-CB 3.9Å; F807-V819 HydrophobicContact CZ-CG1 4.17Å; F807-V819 HydrophobicContact CZ-CG2 3.99Å
808	C	90.8	Very high	87.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	126.5	174.5	-59.8	0	0	0	0	110	C720 V797 D799 G800 T801 S812	C720-C808 WeakPolarHBondContact CA-SG 3.33Å; C720-C808 HydrophobicContact CB-CB 3.55Å; C720-C808 WeakPolarHBondContact CB-SG 3.29Å; C720-C808 WeakPolarHBondContact SG-CA 3.37Å; C720-C808 WeakPolarHBondContact SG-CB 3.22Å; C720-C808 CovalentContact SG-SG 2.04Å; C720-C808 PolarHBondContact SG-SG 2.94Å; V797-C808 HydrophobicContact CG1-CB 4.28Å; D799-C808 CarbonylContact C-O 3.6Å; D799-C808 VanDerWaalsContact CA-O 3.29Å; D799-C808 WeakPolarHBondContact CA-O 3.37Å; G800-C808 PolarHBondContact N-O 3.29Å; T801-C808 PolarHBondContact O-N 2.98Å; C808-S812 CarbonylContact C-O 3.52Å; C808-S812 WeakPolarHBondContact CA-O 3.23Å
809	Y	85.4	Confident	86.6	Confident	52 Å²	52	46.5 Å²	46.5	20%	0.204	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	127.6	174.4	-174.9	-107.4	0	0	0	109.2	I645 D799 F807 G811 S812 V819	I645-Y809 HydrophobicContact CD1-CD2 3.85Å; I645-Y809 HydrophobicContact CD1-CE2 4.2Å; I645-Y809 HydrophobicContact CG1-CD2 4.39Å; I645-Y809 HydrophobicContact CG2-CD2 4.1Å; I645-Y809 HydrophobicContact CG2-CE2 4.02Å; D799-Y809 WeakPolarHBondContact OD1-CA 3.36Å; D799-Y809 WeakPolarHBondContact OD2-CD2 3.01Å; F807-Y809 PolarHBondContact O-N 2.85Å; Y809-G811 PolarHBondContact O-N 2.89Å; Y809-G811 VanDerWaalsContact O-N 3.09Å; Y809-S812 PolarHBondContact N-O 2.7Å; Y809-S812 PolarHBondContact O-N 2.91Å; Y809-V819 HydrophobicContact CD1-CG1 4.11Å; Y809-V819 HydrophobicContact CD1-CG2 3.66Å; Y809-V819 HydrophobicContact CD2-CG1 3.73Å; Y809-V819 HydrophobicContact CD2-CG2 4.38Å; Y809-V819 HydrophobicContact CE1-CG1 4.06Å; Y809-V819 HydrophobicContact CE1-CG2 4.21Å; Y809-V819 HydrophobicContact CE2-CG1 3.66Å; Y809-V819 HydrophobicContact CG-CG1 3.95Å; Y809-V819 HydrophobicContact CG-CG2 3.75Å
810	N	79.6	Confident	86	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.171	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	30.8	179.1	-71.1	-3.9	0	0	0	114	R646 N778 N780 D799	R646-N810 PolarHBondContact NH2-OD1 2.82Å; N778-N810 VanDerWaalsContact O-CA 3.23Å; N778-N810 WeakPolarHBondContact O-CA 3.41Å; N778-N810 WeakPolarHBondContact O-CB 3.04Å; N778-N810 PolarHBondContact O-OD1 3.15Å; N780-N810 PolarHBondContact N-OD1 2.92Å; D799-N810 VanDerWaalsContact CG-N 3.33Å; D799-N810 PolarHBondContact OD1-N 3.43Å; D799-N810 PolarHBondContact OD2-N 2.04Å; D799-N810 PolarHBondContact OD2-OD1 3.46Å
811	G	84.2	Confident	84.7	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	18.9	179.3	0	0	0	0	0	115.1	C690 C720 N780 Y809	C690-G811 WeakPolarHBondContact CB-O 3.22Å; C690-G811 PolarHBondContact SG-O 3.3Å; C720-G811 WeakPolarHBondContact O-CA 3.31Å; N780-G811 WeakPolarHBondContact ND2-CA 3.46Å; N780-G811 PolarHBondContact ND2-N 2.9Å; N780-G811 VanDerWaalsContact ND2-N 3.15Å; Y809-G811 PolarHBondContact O-N 2.89Å; Y809-G811 VanDerWaalsContact O-N 3.09Å
812	S	88.3	Confident	82.9	Confident	29 Å²	29	62.4 Å²	62.4	20%	0.203	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.3	178.1	-64.4	0	0	0	0	111.7	D717 C808 Y809 K814	D717-S812 WeakPolarHBondContact OD1-CA 3.33Å; D717-S812 WeakPolarHBondContact OD1-CB 3.42Å; C808-S812 CarbonylContact C-O 3.52Å; C808-S812 WeakPolarHBondContact CA-O 3.23Å; Y809-S812 PolarHBondContact N-O 2.7Å; Y809-S812 PolarHBondContact O-N 2.91Å; S812-K814 VanDerWaalsContact CB-CE 3.45Å; S812-K814 PolarHBondContact O-N 2.88Å
813	C	92	Very high	81.4	Confident	25 Å²	25	68.1 Å²	68.1	17%	0.169	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.2	175.2	-177	0	0	0	0	110	H716 D717 C803	H716-C813 HydrophobicContact CB-CB 4.07Å; D717-C813 PolarHBondContact OD1-N 3.21Å; C803-C813 HydrophobicContact CB-CB 3.84Å; C803-C813 WeakPolarHBondContact CB-SG 3.42Å; C803-C813 WeakPolarHBondContact SG-CA 3.41Å; C803-C813 WeakPolarHBondContact SG-CB 3.45Å; C803-C813 CovalentContact SG-SG 2.03Å; C803-C813 PolarHBondContact SG-SG 2.89Å
814	K	90.1	Very high	80	Confident	65 Å²	65	73 Å²	73	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.3	-175.7	-57.5	-52.8	-170.9	-154.2	0	112.2	G806 F807 S812 V819	G806-K814 VanDerWaalsContact CA-O 3.27Å; G806-K814 WeakPolarHBondContact CA-O 3.2Å; F807-K814 PolarHBondContact N-O 3.01Å; F807-K814 PolarHBondContact O-N 3.4Å; S812-K814 VanDerWaalsContact CB-CE 3.45Å; S812-K814 PolarHBondContact O-N 2.88Å; K814-V819 HydrophobicContact CB-CG2 3.97Å
815	S	90.3	Very high	79.8	Confident	42 Å²	42	70.9 Å²	70.9	29%	0.294	36%	0.359	S	S	.	.			trans	-77.7	155.3	168.6	-162.1	0	0	0	0	110.9	D817 I818	S815-D817 WeakPolarHBondContact CB-OD2 3.45Å; S815-D817 PolarHBondContact O-N 3.11Å; S815-D817 PolarHBondContact OG-OD2 3.4Å; S815-I818 PolarHBondContact O-N 3.39Å; S815-I818 VanDerWaalsContact O-N 3.13Å
816	I	84.4	Confident	79.9	Confident	53 Å²	53	66.7 Å²	66.7	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-57.1	-32.2	178.1	-167.8	168.7	0	0	0	112.7	G631 F807 I818 V819 R820	G631-I816 WeakPolarHBondContact O-CD1 3.28Å; F807-I816 HydrophobicContact CE1-CB 3.91Å; F807-I816 HydrophobicContact CE1-CG1 4.12Å; I816-I818 PolarHBondContact O-N 2.95Å; I816-V819 PolarHBondContact O-N 2.87Å; I816-R820 HydrophobicContact CG1-CG 4.27Å; I816-R820 PolarHBondContact O-N 3.23Å; I816-R820 VanDerWaalsContact O-N 3.14Å
817	D	80.7	Confident	80	Confident	128 Å²	128	66.1 Å²	66.1	68%	0.684	34%	0.337	S	S	*	.	H	α-helix	trans	-70.7	-15.3	-177.6	-31.4	-84.4	0	0	0	113.3	S815	S815-D817 WeakPolarHBondContact CB-OD2 3.45Å; S815-D817 PolarHBondContact O-N 3.11Å; S815-D817 PolarHBondContact OG-OD2 3.4Å
818	I	77.9	Confident	80	Confident	121 Å²	121	68 Å²	68	62%	0.621	35%	0.347	S	S	*	.	H	α-helix	trans	-94.5	-24.8	-179.8	-57.3	174.5	0	0	0	111.1	S815 I816	S815-I818 PolarHBondContact O-N 3.39Å; S815-I818 VanDerWaalsContact O-N 3.13Å; I816-I818 PolarHBondContact O-N 2.95Å
819	V	72.8	Confident	80.1	Confident	15 Å²	15	71.6 Å²	71.6	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-103.1	-31.7	-170.2	-179.6	0	0	0	0	112.4	D630 I645 F807 Y809 K814 I816	D630-V819 HydrophobicContact CB-CG1 4.22Å; I645-V819 HydrophobicContact CD1-CG1 4.01Å; F807-V819 HydrophobicContact CE2-CB 4.06Å; F807-V819 HydrophobicContact CE2-CG1 4.05Å; F807-V819 HydrophobicContact CE2-CG2 3.82Å; F807-V819 HydrophobicContact CZ-CB 3.9Å; F807-V819 HydrophobicContact CZ-CG1 4.17Å; F807-V819 HydrophobicContact CZ-CG2 3.99Å; Y809-V819 HydrophobicContact CD1-CG1 4.11Å; Y809-V819 HydrophobicContact CD1-CG2 3.66Å; Y809-V819 HydrophobicContact CD2-CG1 3.73Å; Y809-V819 HydrophobicContact CD2-CG2 4.38Å; Y809-V819 HydrophobicContact CE1-CG1 4.06Å; Y809-V819 HydrophobicContact CE1-CG2 4.21Å; Y809-V819 HydrophobicContact CE2-CG1 3.66Å; Y809-V819 HydrophobicContact CG-CG1 3.95Å; Y809-V819 HydrophobicContact CG-CG2 3.75Å; K814-V819 HydrophobicContact CB-CG2 3.97Å; I816-V819 PolarHBondContact O-N 2.87Å
820	R	70.3	Confident	80.4	Confident	106 Å²	106	72.5 Å²	72.5	40%	0.4	39%	0.391	S	S	.	.	S	Bend	trans	-63.6	134.3	175.2	-83.2	-178.6	168.4	179.3	-6.8	110.9	D630 I816	D630-R820 VanDerWaalsContact O-CG 3.26Å; D630-R820 WeakPolarHBondContact O-CG 3.45Å; I816-R820 HydrophobicContact CG1-CG 4.27Å; I816-R820 PolarHBondContact O-N 3.23Å; I816-R820 VanDerWaalsContact O-N 3.14Å
821	P	59.9	Low	81.1	Confident	58 Å²	58	72.1 Å²	72.1	38%	0.377	39%	0.394	S	S	.	.			trans	-53.6	147	174.2	-27.8	35.1	0	0	0	112.9	I629 Y823	I629-P821 HydrophobicContact CD1-CG 4.1Å; I629-P821 HydrophobicContact CG1-CG 4.33Å; P821-Y823 HydrophobicContact CB-CD2 3.71Å; P821-Y823 HydrophobicContact CB-CE2 4.22Å; P821-Y823 PolarHBondContact O-N 3.15Å
822	L	54.1	Low	81.4	Confident	179 Å²	179	74.2 Å²	74.2	94%	0.937	40%	0.404	S	S	*	.	S	Bend	trans	-63.6	-4.6	177.5	-84.9	155	0	0	0	114.4
823	Y	61.7	Low	81.6	Confident	178 Å²	178	74 Å²	74	70%	0.698	40%	0.403	S	S	*	.	S	Bend	trans	-84.9	114.8	179.8	-44.2	-59.6	0	0	0	110.1	P821 C825	P821-Y823 HydrophobicContact CB-CD2 3.71Å; P821-Y823 HydrophobicContact CB-CE2 4.22Å; P821-Y823 PolarHBondContact O-N 3.15Å; Y823-C825 VanDerWaalsContact C-N 3.28Å; Y823-C825 PolarHBondContact O-N 2.9Å
824	S	63.2	Low	81.3	Confident	120 Å²	120	72.8 Å²	72.8	84%	0.839	40%	0.395	S	S	*	.			trans	-73.3	82.8	175.2	-170.6	0	0	0	0	110.6	Y826	S824-Y826 PolarHBondContact O-N 2.88Å
825	C	81.2	Confident	80.7	Confident	28 Å²	28	71.8 Å²	71.8	19%	0.189	39%	0.393	C	S	.	.			trans	-62.8	123.2	165.4	161.8	0	0	0	0	109.4	Y823 C827 C833 G837 C839	Y823-C825 VanDerWaalsContact C-N 3.28Å; Y823-C825 PolarHBondContact O-N 2.9Å; C825-C827 PolarHBondContact SG-SG 2.72Å; C825-C833 HydrophobicContact CB-CB 3.85Å; C825-C833 WeakPolarHBondContact CB-SG 3.14Å; C825-C833 VanDerWaalsContact SG-CA 3.51Å; C825-C833 WeakPolarHBondContact SG-CB 3.44Å; C825-C833 CovalentContact SG-SG 2.03Å; C825-C833 PolarHBondContact SG-SG 3.27Å; C825-G837 WeakPolarHBondContact CB-O 3.37Å; C825-C839 VanDerWaalsContact SG-SG 3.67Å
826	Y	87.9	Confident	80.2	Confident	146 Å²	146	74.5 Å²	74.5	57%	0.573	40%	0.403	S	S	*	.			trans	-129.5	107.6	-176.7	-178.8	-104.7	0	0	0	110.8	S824 N828 C839	S824-Y826 PolarHBondContact O-N 2.88Å; Y826-N828 HydrophobicContact CE1-CB 4.43Å; Y826-N828 VanDerWaalsContact CE1-OD1 3.27Å; Y826-N828 WeakPolarHBondContact CE1-OD1 3.24Å; Y826-N828 PolarHBondContact OH-OD1 2.75Å; Y826-C839 VanDerWaalsContact C-SG 3.58Å
827	C	92.4	Very high	80.2	Confident	9 Å²	9	72.9 Å²	72.9	6%	0.061	40%	0.399	C	S	.	.			trans	-108.1	26.5	-173.7	-46.6	0	0	0	0	113.1	C825 G829 H830 G831 C839 Y849	C825-C827 PolarHBondContact SG-SG 2.72Å; C827-G829 PolarHBondContact O-N 3.48Å; C827-H830 PolarHBondContact O-N 3.12Å; C827-G831 WeakPolarHBondContact CB-O 3.34Å; C827-G831 PolarHBondContact O-N 3.48Å; C827-C839 WeakPolarHBondContact CA-SG 3.11Å; C827-C839 HydrophobicContact CB-CB 3.74Å; C827-C839 WeakPolarHBondContact CB-SG 3.5Å; C827-C839 VanDerWaalsContact SG-CA 3.59Å; C827-C839 WeakPolarHBondContact SG-CB 3.25Å; C827-C839 CovalentContact SG-SG 2.03Å; C827-C839 PolarHBondContact SG-SG 2.87Å; C827-Y849 CarbonylContact C-O 3.59Å; C827-Y849 WeakPolarHBondContact CA-O 3.45Å
828	N	92.7	Very high	80.6	Confident	41 Å²	41	70.8 Å²	70.8	22%	0.219	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	12.4	-177	-75.7	-81.1	0	0	0	116.8	Y826 H830 Y849	Y826-N828 HydrophobicContact CE1-CB 4.43Å; Y826-N828 VanDerWaalsContact CE1-OD1 3.27Å; Y826-N828 WeakPolarHBondContact CE1-OD1 3.24Å; Y826-N828 PolarHBondContact OH-OD1 2.75Å; N828-H830 VanDerWaalsContact C-N 3.27Å; N828-Y849 PolarHBondContact N-O 3.07Å; N828-Y849 PolarHBondContact ND2-O 3.3Å
829	G	92.2	Very high	81.3	Confident	76 Å²	76	65.2 Å²	65.2	78%	0.784	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	3.1	-170.1	0	0	0	0	0	114.6	C827	C827-G829 PolarHBondContact O-N 3.48Å
830	H	93.5	Very high	82.2	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.329	36%	0.356	S	S	.	.	S	Bend	trans	-111	11.8	-176.8	-59.8	-50.7	0	0	0	113.4	C827 N828 S842 Y845 C850	C827-H830 PolarHBondContact O-N 3.12Å; N828-H830 VanDerWaalsContact C-N 3.27Å; H830-S842 WeakPolarHBondContact O-CB 3.34Å; H830-S842 PolarHBondContact O-N 2.85Å; H830-S842 PolarHBondContact O-OG 2.77Å; H830-Y845 HydrophobicContact CB-CD1 3.85Å; H830-Y845 HydrophobicContact CB-CD2 3.67Å; H830-Y845 HydrophobicContact CB-CE1 4.05Å; H830-Y845 HydrophobicContact CB-CE2 3.9Å; H830-Y845 HydrophobicContact CB-CG 3.66Å; H830-Y845 AromaticContact CD2-CD1 3.81Å; H830-Y845 AromaticContact CD2-CE1 3.36Å; H830-Y845 WeakPolarHBondContact CD2-CE1 3.27Å; H830-Y845 AromaticContact CD2-CZ 3.73Å; H830-Y845 AromaticContact CE1-CZ 3.66Å; H830-Y845 PolarHBondContact CE1-OH 2.57Å; H830-Y845 AromaticContact CG-CD1 3.83Å; H830-Y845 AromaticContact CG-CE1 3.52Å; H830-Y845 AromaticContact CG-CE2 3.76Å; H830-Y845 AromaticContact CG-CZ 3.5Å; H830-Y845 VanDerWaalsContact CG-CZ 3.5Å; H830-Y845 AromaticContact ND1-CE1 3.94Å; H830-Y845 AromaticContact ND1-CE2 3.71Å; H830-Y845 AromaticContact ND1-CZ 3.46Å; H830-Y845 AromaticContact NE2-CE1 3.73Å; H830-Y845 AromaticContact NE2-CZ 3.84Å; H830-C850 HydrophobicContact CB-CB 3.87Å; H830-C850 WeakPolarHBondContact CB-O 3.33Å
831	G	92.7	Very high	83.2	Confident	24 Å²	24	60.2 Å²	60.2	25%	0.247	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	175.8	177.2	0	0	0	0	0	112.3	C827 H840	C827-G831 WeakPolarHBondContact CB-O 3.34Å; C827-G831 PolarHBondContact O-N 3.48Å; G831-H840 CarbonylContact C-O 3.42Å; G831-H840 WeakPolarHBondContact CA-O 3.41Å
832	I	92.2	Very high	84.7	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.226	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.7	179.6	-167.1	161	0	0	0	110.5	L611 K628 Q632 H840	L611-I832 HydrophobicContact CD2-CG2 3.78Å; K628-I832 HydrophobicContact CD-CD1 3.71Å; K628-I832 HydrophobicContact CG-CD1 3.95Å; K628-I832 HydrophobicContact CG-CG1 4.46Å; Q632-I832 HydrophobicContact CG-CD1 4.15Å; I832-H840 HydrophobicContact CG2-CB 4.18Å; I832-H840 PolarHBondContact N-O 2.91Å; I832-H840 PolarHBondContact O-N 2.87Å
833	C	90.9	Very high	86.3	Confident	25 Å²	25	57.1 Å²	57.1	17%	0.169	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.1	178.7	-57	0	0	0	0	111	I629 C825 H838	I629-C833 HydrophobicContact CB-CB 4.01Å; I629-C833 HydrophobicContact CD1-CB 4.12Å; I629-C833 HydrophobicContact CG2-CB 3.79Å; I629-C833 PolarHBondContact N-O 3.42Å; C825-C833 HydrophobicContact CB-CB 3.85Å; C825-C833 WeakPolarHBondContact CB-SG 3.14Å; C825-C833 VanDerWaalsContact SG-CA 3.51Å; C825-C833 WeakPolarHBondContact SG-CB 3.44Å; C825-C833 CovalentContact SG-SG 2.03Å; C825-C833 PolarHBondContact SG-SG 3.27Å; C833-H838 WeakPolarHBondContact CA-O 3.48Å
834	N	86.1	Confident	87.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-85.3	175.4	167.7	74	6.5	0	0	0	111.6	L611 V626 Y627 L836 G837 H838 D860	L611-N834 HydrophobicContact CD1-CB 3.75Å; V626-N834 HydrophobicContact CB-CB 4.36Å; Y627-N834 CarbonylContact O-C 3.46Å; Y627-N834 WeakPolarHBondContact O-CA 3.35Å; N834-L836 PolarHBondContact O-N 2.84Å; N834-L836 PolarHBondContact OD1-N 3.3Å; N834-L836 VanDerWaalsContact OD1-N 3.09Å; N834-G837 PolarHBondContact O-N 2.93Å; N834-G837 VanDerWaalsContact O-N 3.07Å; N834-G837 PolarHBondContact OD1-N 2.83Å; N834-H838 PolarHBondContact N-O 3.47Å; N834-H838 PolarHBondContact OD1-N 2.8Å; N834-H838 PolarHBondContact OD1-O 2.97Å; N834-D860 PolarHBondContact ND2-OD2 3.25Å
835	N	77.7	Confident	88.8	Confident	44 Å²	44	47.7 Å²	47.7	24%	0.235	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.8	179.2	63.3	-63.6	0	0	0	115.1	V626 Y627	V626-N835 WeakPolarHBondContact CA-OD1 3.33Å; V626-N835 WeakPolarHBondContact CB-OD1 3.08Å; Y627-N835 HydrophobicContact CD1-CB 4.43Å; Y627-N835 HydrophobicContact CD2-CB 3.59Å; Y627-N835 HydrophobicContact CE1-CB 4.12Å; Y627-N835 HydrophobicContact CE2-CB 3.19Å; Y627-N835 HydrophobicContact CG-CB 4.21Å; Y627-N835 PolarHBondContact N-OD1 2.77Å; Y627-N835 PolarHBondContact O-N 3.07Å; Y627-N835 PolarHBondContact O-OD1 2.91Å
836	L	79.3	Confident	89	Confident	98 Å²	98	50.1 Å²	50.1	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.9	174.4	-58.1	177	0	0	0	112.5	V626 N834 D860	V626-L836 HydrophobicContact CG1-CD1 3.93Å; V626-L836 HydrophobicContact CG1-CG 4.46Å; N834-L836 PolarHBondContact O-N 2.84Å; N834-L836 PolarHBondContact OD1-N 3.3Å; N834-L836 VanDerWaalsContact OD1-N 3.09Å; L836-D860 HydrophobicContact CD1-CB 3.92Å
837	G	84.9	Confident	89.1	Confident	19 Å²	19	44.5 Å²	44.5	20%	0.196	27%	0.274	C	S	.	.	S	Bend	trans	85	8.9	-178.8	0	0	0	0	0	114.4	C825 N834	C825-G837 WeakPolarHBondContact CB-O 3.37Å; N834-G837 PolarHBondContact O-N 2.93Å; N834-G837 VanDerWaalsContact O-N 3.07Å; N834-G837 PolarHBondContact OD1-N 2.83Å
838	H	88.3	Confident	89	Confident	85 Å²	85	47.2 Å²	47.2	39%	0.394	29%	0.291	S	S	.	.			trans	-96.3	163.3	175.2	-59.6	147.8	0	0	0	111.6	C833 N834 V859 D860	C833-H838 WeakPolarHBondContact CA-O 3.48Å; N834-H838 PolarHBondContact N-O 3.47Å; N834-H838 PolarHBondContact OD1-N 2.8Å; N834-H838 PolarHBondContact OD1-O 2.97Å; H838-V859 HydrophobicContact CB-CG2 3.99Å; H838-V859 WeakPolarHBondContact ND1-CG2 3.47Å; H838-D860 WeakPolarHBondContact CB-OD2 3.45Å; H838-D860 IonicContact CE1-OD1 3.11Å; H838-D860 PolarHBondContact CE1-OD1 3.49Å; H838-D860 IonicContact CG-OD1 2.8Å; H838-D860 IonicContact CG-OD2 3.27Å; H838-D860 VanDerWaalsContact ND1-CG 3.34Å; H838-D860 IonicContact ND1-OD1 2.95Å; H838-D860 PolarHBondContact ND1-OD1 2.73Å; H838-D860 IonicContact ND1-OD2 3.66Å; H838-D860 PolarHBondContact ND1-OD2 3.08Å; H838-D860 VanDerWaalsContact ND1-OD2 3.16Å
839	C	92.6	Very high	89	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.1	179.6	-66.8	0	0	0	0	112.6	C825 Y826 C827 P848 S858	C825-C839 VanDerWaalsContact SG-SG 3.67Å; Y826-C839 VanDerWaalsContact C-SG 3.58Å; C827-C839 WeakPolarHBondContact CA-SG 3.11Å; C827-C839 HydrophobicContact CB-CB 3.74Å; C827-C839 WeakPolarHBondContact CB-SG 3.5Å; C827-C839 VanDerWaalsContact SG-CA 3.59Å; C827-C839 WeakPolarHBondContact SG-CB 3.25Å; C827-C839 CovalentContact SG-SG 2.03Å; C827-C839 PolarHBondContact SG-SG 2.87Å; C839-P848 WeakPolarHBondContact CB-O 3.38Å; C839-S858 PolarHBondContact O-OG 2.93Å
840	H	92	Very high	89	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	103.7	160.8	-169	112.1	0	0	0	108.8	L611 P612 Y614 G831 I832 G857 S861	L611-H840 HydrophobicContact CD1-CB 3.92Å; L611-H840 HydrophobicContact CD2-CB 4.37Å; P612-H840 PolarHBondContact O-CE1 2.76Å; P612-H840 VanDerWaalsContact O-CE1 3.3Å; Y614-H840 AromaticContact CE2-CE1 3.81Å; G831-H840 CarbonylContact C-O 3.42Å; G831-H840 WeakPolarHBondContact CA-O 3.41Å; I832-H840 HydrophobicContact CG2-CB 4.18Å; I832-H840 PolarHBondContact N-O 2.91Å; I832-H840 PolarHBondContact O-N 2.87Å; H840-G857 CarbonylContact C-O 3.42Å; H840-G857 WeakPolarHBondContact CA-O 3.43Å; H840-S861 PolarHBondContact ND1-OG 2.88Å
841	C	92.7	Very high	89	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.02	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	147.8	-174.8	-58.1	0	0	0	0	113.2	K846 C850 G856 G857	C841-K846 VanDerWaalsContact SG-C 3.52Å; C841-K846 PolarHBondContact SG-O 3.2Å; C841-C850 WeakPolarHBondContact CA-SG 2.93Å; C841-C850 HydrophobicContact CB-CB 3.8Å; C841-C850 WeakPolarHBondContact CB-SG 3.38Å; C841-C850 WeakPolarHBondContact SG-CA 3.22Å; C841-C850 WeakPolarHBondContact SG-CB 3.34Å; C841-C850 CovalentContact SG-SG 2.03Å; C841-C850 PolarHBondContact SG-SG 3.02Å; C841-G856 CarbonylContact O-C 3.59Å; C841-G856 WeakPolarHBondContact O-CA 3.49Å; C841-G857 PolarHBondContact N-O 2.93Å; C841-G857 PolarHBondContact O-N 3.13Å
842	S	90.9	Very high	88.9	Confident	60 Å²	60	56.4 Å²	56.4	42%	0.42	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-72.3	153.2	170.8	-62.2	0	0	0	0	111.4	H830 G844 Y845 G856	H830-S842 WeakPolarHBondContact O-CB 3.34Å; H830-S842 PolarHBondContact O-N 2.85Å; H830-S842 PolarHBondContact O-OG 2.77Å; S842-G844 PolarHBondContact O-N 3.2Å; S842-Y845 PolarHBondContact O-N 2.98Å; S842-Y845 VanDerWaalsContact O-N 3.14Å; S842-G856 WeakPolarHBondContact O-CA 3.03Å
843	P	87.2	Confident	88.6	Confident	112 Å²	112	61 Å²	61	73%	0.727	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	129	170.7	-26.9	35.5	0	0	0	111.5	N855	P843-N855 WeakPolarHBondContact CA-O 3.37Å
844	G	86.2	Confident	88.3	Confident	33 Å²	33	61 Å²	61	34%	0.34	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-20.6	-170.6	0	0	0	0	0	114.3	S842 D853 G854	S842-G844 PolarHBondContact O-N 3.2Å; G844-D853 CarbonylContact O-C 3.29Å; G844-D853 WeakPolarHBondContact O-CA 3.36Å; G844-G854 CarbonylContact C-O 3.56Å; G844-G854 WeakPolarHBondContact CA-O 3.02Å; G844-G854 PolarHBondContact N-O 2.78Å; G844-G854 PolarHBondContact O-N 3.09Å
845	Y	90.4	Very high	88	Confident	67 Å²	67	63.3 Å²	63.3	26%	0.263	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.7	-174.7	-58.3	-92.9	0	0	0	112	H830 S842 C850 E852 G854 G856	H830-Y845 HydrophobicContact CB-CD1 3.85Å; H830-Y845 HydrophobicContact CB-CD2 3.67Å; H830-Y845 HydrophobicContact CB-CE1 4.05Å; H830-Y845 HydrophobicContact CB-CE2 3.9Å; H830-Y845 HydrophobicContact CB-CG 3.66Å; H830-Y845 AromaticContact CD2-CD1 3.81Å; H830-Y845 AromaticContact CD2-CE1 3.36Å; H830-Y845 WeakPolarHBondContact CD2-CE1 3.27Å; H830-Y845 AromaticContact CD2-CZ 3.73Å; H830-Y845 AromaticContact CE1-CZ 3.66Å; H830-Y845 PolarHBondContact CE1-OH 2.57Å; H830-Y845 AromaticContact CG-CD1 3.83Å; H830-Y845 AromaticContact CG-CE1 3.52Å; H830-Y845 AromaticContact CG-CE2 3.76Å; H830-Y845 AromaticContact CG-CZ 3.5Å; H830-Y845 VanDerWaalsContact CG-CZ 3.5Å; H830-Y845 AromaticContact ND1-CE1 3.94Å; H830-Y845 AromaticContact ND1-CE2 3.71Å; H830-Y845 AromaticContact ND1-CZ 3.46Å; H830-Y845 AromaticContact NE2-CE1 3.73Å; H830-Y845 AromaticContact NE2-CZ 3.84Å; S842-Y845 PolarHBondContact O-N 2.98Å; S842-Y845 VanDerWaalsContact O-N 3.14Å; Y845-C850 VanDerWaalsContact CD1-O 3.27Å; Y845-C850 WeakPolarHBondContact CD1-O 3.31Å; Y845-E852 CarbonylContact C-O 3.56Å; Y845-E852 WeakPolarHBondContact CA-O 3.34Å; Y845-G854 PolarHBondContact N-O 3.44Å; Y845-G854 CarbonylContact O-C 3.52Å; Y845-G856 WeakPolarHBondContact O-CA 3.36Å; Y845-G856 PolarHBondContact O-N 2.84Å
846	K	87	Confident	88.4	Confident	79 Å²	79	61.3 Å²	61.3	34%	0.343	33%	0.332	S	S	.	.			trans	-110.1	153.2	177.6	70.6	-175.2	-171.8	-135.2	0	114.5	C841 C850 E852	C841-K846 VanDerWaalsContact SG-C 3.52Å; C841-K846 PolarHBondContact SG-O 3.2Å; K846-C850 VanDerWaalsContact O-CA 3.29Å; K846-C850 WeakPolarHBondContact O-CA 3.4Å; K846-C850 PolarHBondContact O-N 3.13Å; K846-C850 VanDerWaalsContact O-N 3.11Å; K846-E852 HydrophobicContact CD-CB 4.26Å; K846-E852 VanDerWaalsContact CE-CD 3.42Å; K846-E852 VanDerWaalsContact CE-OE1 3.31Å; K846-E852 WeakPolarHBondContact CE-OE1 3.27Å; K846-E852 WeakPolarHBondContact CE-OE2 3.07Å; K846-E852 HydrophobicContact CG-CB 4.08Å; K846-E852 PolarHBondContact N-O 3.44Å; K846-E852 IonicContact NZ-OE1 3.69Å; K846-E852 PolarHBondContact NZ-OE1 2.03Å; K846-E852 IonicContact NZ-OE2 2.7Å; K846-E852 PolarHBondContact NZ-OE2 3.06Å
847	P	88.9	Confident	88.8	Confident	27 Å²	27	56.6 Å²	56.6	18%	0.175	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	158.3	168.1	-18.6	31.9	0	0	0	111.7	G856 G857 V859	P847-G856 WeakPolarHBondContact CD-O 3.13Å; P847-G857 WeakPolarHBondContact CG-O 3.31Å; P847-V859 HydrophobicContact CB-CG1 3.68Å
848	P	90.4	Very high	89	Confident	67 Å²	67	55.8 Å²	55.8	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	-11.4	9.5	34.4	-35.1	0	0	0	115.7	C839 V859	C839-P848 WeakPolarHBondContact CB-O 3.38Å; P848-V859 HydrophobicContact CB-CG1 4.26Å
849	Y	92.2	Very high	88.9	Confident	143 Å²	143	55.5 Å²	55.5	56%	0.561	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	1.2	-172.6	-54.2	-54.9	0	0	0	114.9	C827 N828 E851	C827-Y849 CarbonylContact C-O 3.59Å; C827-Y849 WeakPolarHBondContact CA-O 3.45Å; N828-Y849 PolarHBondContact N-O 3.07Å; N828-Y849 PolarHBondContact ND2-O 3.3Å; Y849-E851 PolarHBondContact O-N 2.89Å
850	C	93.5	Very high	88.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	57.2	33	-179	-36.2	0	0	0	0	114.1	H830 C841 Y845 K846	H830-C850 HydrophobicContact CB-CB 3.87Å; H830-C850 WeakPolarHBondContact CB-O 3.33Å; C841-C850 WeakPolarHBondContact CA-SG 2.93Å; C841-C850 HydrophobicContact CB-CB 3.8Å; C841-C850 WeakPolarHBondContact CB-SG 3.38Å; C841-C850 WeakPolarHBondContact SG-CA 3.22Å; C841-C850 WeakPolarHBondContact SG-CB 3.34Å; C841-C850 CovalentContact SG-SG 2.03Å; C841-C850 PolarHBondContact SG-SG 3.02Å; Y845-C850 VanDerWaalsContact CD1-O 3.27Å; Y845-C850 WeakPolarHBondContact CD1-O 3.31Å; K846-C850 VanDerWaalsContact O-CA 3.29Å; K846-C850 WeakPolarHBondContact O-CA 3.4Å; K846-C850 PolarHBondContact O-N 3.13Å; K846-C850 VanDerWaalsContact O-N 3.11Å
851	E	93.3	Very high	87.6	Confident	140 Å²	140	56.7 Å²	56.7	65%	0.654	31%	0.309	S	S	*	.			trans	-92.7	-41.5	179.2	-166	175.8	162.3	0	0	112.2	Y849	Y849-E851 PolarHBondContact O-N 2.89Å
852	E	89.9	Confident	86.6	Confident	122 Å²	122	56.8 Å²	56.8	57%	0.57	31%	0.311	S	S	*	.	S	Bend	trans	-93.4	152.1	-179.5	-68.3	-178.6	-97.4	0	0	112.1	Y845 K846	Y845-E852 CarbonylContact C-O 3.56Å; Y845-E852 WeakPolarHBondContact CA-O 3.34Å; K846-E852 HydrophobicContact CD-CB 4.26Å; K846-E852 VanDerWaalsContact CE-CD 3.42Å; K846-E852 VanDerWaalsContact CE-OE1 3.31Å; K846-E852 WeakPolarHBondContact CE-OE1 3.27Å; K846-E852 WeakPolarHBondContact CE-OE2 3.07Å; K846-E852 HydrophobicContact CG-CB 4.08Å; K846-E852 PolarHBondContact N-O 3.44Å; K846-E852 IonicContact NZ-OE1 3.69Å; K846-E852 PolarHBondContact NZ-OE1 2.03Å; K846-E852 IonicContact NZ-OE2 2.7Å; K846-E852 PolarHBondContact NZ-OE2 3.06Å
853	D	87.1	Confident	85.7	Confident	141 Å²	141	57.1 Å²	57.1	75%	0.754	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	142.7	175.3	-66.8	-41.2	0	0	0	112.7	G844	G844-D853 CarbonylContact O-C 3.29Å; G844-D853 WeakPolarHBondContact O-CA 3.36Å
854	G	83.6	Confident	84.7	Confident	23 Å²	23	52.1 Å²	52.1	24%	0.237	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-163.6	-175.7	0	0	0	0	0	115.1	G844 Y845	G844-G854 CarbonylContact C-O 3.56Å; G844-G854 WeakPolarHBondContact CA-O 3.02Å; G844-G854 PolarHBondContact N-O 2.78Å; G844-G854 PolarHBondContact O-N 3.09Å; Y845-G854 PolarHBondContact N-O 3.44Å; Y845-G854 CarbonylContact O-C 3.52Å
855	N	79.5	Confident	83.4	Confident	50 Å²	50	53.5 Å²	53.5	27%	0.267	28%	0.282	S	S	.	.			trans	-107.3	-6	-175	-62	-76.3	0	0	0	114	P843 P864 P865 S867	P843-N855 WeakPolarHBondContact CA-O 3.37Å; N855-P864 HydrophobicContact CB-CG 3.77Å; N855-P864 WeakPolarHBondContact O-CG 2.99Å; N855-P865 WeakPolarHBondContact CB-O 3.49Å; N855-P865 VanDerWaalsContact CG-O 3.3Å; N855-P865 PolarHBondContact OD1-O 3.28Å; N855-S867 VanDerWaalsContact OD1-CB 3.27Å; N855-S867 WeakPolarHBondContact OD1-CB 3.34Å; N855-S867 PolarHBondContact OD1-N 3.13Å; N855-S867 VanDerWaalsContact OD1-N 3.08Å; N855-S867 PolarHBondContact OD1-OG 3.3Å
856	G	87.2	Confident	81.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.01	30%	0.303	C	S	.	.			trans	110.4	-150.2	-177.3	0	0	0	0	0	114.4	C841 S842 Y845 P847 P864	C841-G856 CarbonylContact O-C 3.59Å; C841-G856 WeakPolarHBondContact O-CA 3.49Å; S842-G856 WeakPolarHBondContact O-CA 3.03Å; Y845-G856 WeakPolarHBondContact O-CA 3.36Å; Y845-G856 PolarHBondContact O-N 2.84Å; P847-G856 WeakPolarHBondContact CD-O 3.13Å; G856-P864 VanDerWaalsContact C-CD 3.43Å; G856-P864 WeakPolarHBondContact O-CD 3.34Å; G856-P864 WeakPolarHBondContact O-CG 3.34Å
857	G	87.5	Confident	80.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	70.5	-170.7	168.8	0	0	0	0	0	115.2	H840 C841 P847	H840-G857 CarbonylContact C-O 3.42Å; H840-G857 WeakPolarHBondContact CA-O 3.43Å; C841-G857 PolarHBondContact N-O 2.93Å; C841-G857 PolarHBondContact O-N 3.13Å; P847-G857 WeakPolarHBondContact CG-O 3.31Å
858	S	88	Confident	78.2	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.007	34%	0.34	C	S	.	.			trans	-122.3	169.7	179.3	-169.3	0	0	0	0	111.9	C839 D860 S861 G862	C839-S858 PolarHBondContact O-OG 2.93Å; S858-D860 PolarHBondContact OG-N 2.79Å; S858-D860 PolarHBondContact OG-OD2 3.26Å; S858-S861 WeakPolarHBondContact CB-OG 3.4Å; S858-S861 PolarHBondContact N-OG 3.1Å; S858-G862 CarbonylContact O-C 3.55Å; S858-G862 VanDerWaalsContact O-C 3.25Å
859	V	87.5	Confident	76.3	Confident	80 Å²	80	69 Å²	69	49%	0.485	35%	0.351	S	S	.	.	S	Bend	trans	-66.4	-26.6	164.2	-64.8	0	0	0	0	112.4	H838 P847 P848	H838-V859 HydrophobicContact CB-CG2 3.99Å; H838-V859 WeakPolarHBondContact ND1-CG2 3.47Å; P847-V859 HydrophobicContact CB-CG1 3.68Å; P848-V859 HydrophobicContact CB-CG1 4.26Å
860	D	82.4	Confident	74.1	Confident	41 Å²	41	70.4 Å²	70.4	22%	0.219	36%	0.36	C	S	.	.	S	Bend	trans	-92.3	-43.7	-176.8	-34.4	-81.5	0	0	0	112.6	P623 V626 N834 L836 H838 S858 G862	P623-D860 WeakPolarHBondContact CB-O 3.46Å; V626-D860 HydrophobicContact CG1-CB 4.11Å; N834-D860 PolarHBondContact ND2-OD2 3.25Å; L836-D860 HydrophobicContact CD1-CB 3.92Å; H838-D860 WeakPolarHBondContact CB-OD2 3.45Å; H838-D860 IonicContact CE1-OD1 3.11Å; H838-D860 PolarHBondContact CE1-OD1 3.49Å; H838-D860 IonicContact CG-OD1 2.8Å; H838-D860 IonicContact CG-OD2 3.27Å; H838-D860 VanDerWaalsContact ND1-CG 3.34Å; H838-D860 IonicContact ND1-OD1 2.95Å; H838-D860 PolarHBondContact ND1-OD1 2.73Å; H838-D860 IonicContact ND1-OD2 3.66Å; H838-D860 PolarHBondContact ND1-OD2 3.08Å; H838-D860 VanDerWaalsContact ND1-OD2 3.16Å; S858-D860 PolarHBondContact OG-N 2.79Å; S858-D860 PolarHBondContact OG-OD2 3.26Å; D860-G862 PolarHBondContact O-N 3.04Å
861	S	74.9	Confident	72.1	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	39%	0.393	C	S	.	.	S	Bend	trans	-83.4	10.5	-176.6	71.2	0	0	0	0	113.7	E613 Y614 H840 S858	E613-S861 WeakPolarHBondContact CA-O 3.38Å; Y614-S861 PolarHBondContact N-O 2.88Å; H840-S861 PolarHBondContact ND1-OG 2.88Å; S858-S861 WeakPolarHBondContact CB-OG 3.4Å; S858-S861 PolarHBondContact N-OG 3.1Å
862	G	72.2	Confident	70.5	Confident	6 Å²	6	74.2 Å²	74.2	6%	0.062	39%	0.385	C	S	.	.			trans	76.5	148.7	-169.9	0	0	0	0	0	114	S858 D860	S858-G862 CarbonylContact O-C 3.55Å; S858-G862 VanDerWaalsContact O-C 3.25Å; D860-G862 PolarHBondContact O-N 3.04Å
863	P	71.9	Confident	69.4	Low	66 Å²	66	72.7 Å²	72.7	43%	0.429	38%	0.384	S	S	.	.			trans	-67.7	140.5	167.3	31.4	-33.7	0	0	0	108.7	G599	G599-P863 WeakPolarHBondContact CA-O 3.46Å; G599-P863 PolarHBondContact N-O 3.12Å
864	P	64.4	Low	68.7	Low	8 Å²	8	71.9 Å²	71.9	5%	0.052	38%	0.379	C	S	.	.			trans	-84.5	175.9	-175.4	42.8	-41.8	0	0	0	110.1	Y614 N855 G856 I866	Y614-P864 HydrophobicContact CD1-CB 3.52Å; Y614-P864 HydrophobicContact CD2-CB 3.88Å; Y614-P864 HydrophobicContact CE1-CB 3.37Å; Y614-P864 HydrophobicContact CE2-CB 3.77Å; Y614-P864 HydrophobicContact CG-CB 3.77Å; N855-P864 HydrophobicContact CB-CG 3.77Å; N855-P864 WeakPolarHBondContact O-CG 2.99Å; G856-P864 VanDerWaalsContact C-CD 3.43Å; G856-P864 WeakPolarHBondContact O-CD 3.34Å; G856-P864 WeakPolarHBondContact O-CG 3.34Å; P864-I866 PolarHBondContact O-N 2.82Å
865	P	58.8	Low	68.4	Low	62 Å²	62	75.6 Å²	75.6	40%	0.403	39%	0.393	S	S	.	.			trans	-66.5	135.1	-155.7	24.2	-23.1	0	0	0	109.2	G599 N855 S867	G599-P865 WeakPolarHBondContact O-CA 3.44Å; G599-P865 VanDerWaalsContact O-CB 3.29Å; G599-P865 WeakPolarHBondContact O-CB 3.37Å; G599-P865 WeakPolarHBondContact O-CD 3.47Å; G599-P865 WeakPolarHBondContact O-CG 3.37Å; N855-P865 WeakPolarHBondContact CB-O 3.49Å; N855-P865 VanDerWaalsContact CG-O 3.3Å; N855-P865 PolarHBondContact OD1-O 3.28Å; P865-S867 VanDerWaalsContact C-N 3.29Å; P865-S867 PolarHBondContact O-N 3Å
866	I	58.8	Low	68.5	Low	136 Å²	136	76.9 Å²	76.9	70%	0.697	40%	0.403	S	S	*	.			trans	-58.3	101.6	170.3	-57.2	176.3	0	0	0	106.1	P864 R868	P864-I866 PolarHBondContact O-N 2.82Å; I866-R868 PolarHBondContact O-N 3.32Å
867	S	50	Low	68.4	Low	53 Å²	53	80.7 Å²	80.7	37%	0.371	43%	0.425	S	S	.	.			trans	-61.4	126.7	-175.5	57.4	0	0	0	0	107.3	N855 P865 I869	N855-S867 VanDerWaalsContact OD1-CB 3.27Å; N855-S867 WeakPolarHBondContact OD1-CB 3.34Å; N855-S867 PolarHBondContact OD1-N 3.13Å; N855-S867 VanDerWaalsContact OD1-N 3.08Å; N855-S867 PolarHBondContact OD1-OG 3.3Å; P865-S867 VanDerWaalsContact C-N 3.29Å; P865-S867 PolarHBondContact O-N 3Å; S867-I869 PolarHBondContact O-N 3.15Å
868	R	49.2	Very low	68.5	Low	244 Å²	244	84.6 Å²	84.6	92%	0.921	45%	0.445	S	S	*	.			trans	-75.4	53.5	171.4	-65.5	-165.8	-168.1	178.4	6.9	110.5	I866 K870	I866-R868 PolarHBondContact O-N 3.32Å; R868-K870 PolarHBondContact O-N 3.39Å
869	I	50	Low	68.5	Low	133 Å²	133	87 Å²	87	68%	0.682	46%	0.462	S	S	*	.			trans	-48.6	106.7	135.6	-60	173.3	0	0	0	103.8	S867 D871	S867-I869 PolarHBondContact O-N 3.15Å; I869-D871 PolarHBondContact O-N 2.84Å
870	K	47.1	Very low	68.7	Low	172 Å²	172	87 Å²	87	75%	0.748	46%	0.459	S	S	*	.			trans	-53.3	129.9	169.9	-85.3	179.2	172.2	177.6	0	106	R868 N872	R868-K870 PolarHBondContact O-N 3.39Å; K870-N872 PolarHBondContact O-N 2.8Å
871	D	50.3	Low	69.2	Low	129 Å²	129	89 Å²	89	69%	0.69	47%	0.468	S	S	*	.			trans	-58.6	88.9	167	-94.3	-53.1	0	0	0	108.3	I869 T873 L874	I869-D871 PolarHBondContact O-N 2.84Å; D871-T873 PolarHBondContact O-N 3.36Å; D871-T873 PolarHBondContact OD1-OG1 3.11Å; D871-L874 PolarHBondContact O-N 3.11Å
872	N	59.6	Low	69.9	Low	90 Å²	90	94.9 Å²	94.9	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-10.6	177.2	-81.1	-22.9	0	0	0	110.1	K870 L874 L875 V876	K870-N872 PolarHBondContact O-N 2.8Å; N872-L874 PolarHBondContact O-N 2.9Å; N872-L875 HydrophobicContact CB-CB 4.49Å; N872-L875 CarbonylContact O-C 3.48Å; N872-L875 WeakPolarHBondContact O-CA 3.12Å; N872-L875 WeakPolarHBondContact O-CB 3.1Å; N872-L875 PolarHBondContact O-N 3.22Å; N872-V876 VanDerWaalsContact O-CB 3.31Å; N872-V876 WeakPolarHBondContact O-CB 3.49Å; N872-V876 VanDerWaalsContact O-CG2 3.25Å; N872-V876 WeakPolarHBondContact O-CG2 3.44Å; N872-V876 PolarHBondContact O-N 3.43Å
873	T	68.1	Low	70.8	Confident	91 Å²	91	102.2 Å²	102.2	56%	0.558	53%	0.525	S	S	*	.	H	α-helix	trans	-34.5	-49.3	154.4	-39.7	0	0	0	0	113.1	D871 V877	D871-T873 PolarHBondContact O-N 3.36Å; D871-T873 PolarHBondContact OD1-OG1 3.11Å; T873-V877 WeakPolarHBondContact O-CB 3.26Å; T873-V877 VanDerWaalsContact O-CG2 3.24Å; T873-V877 WeakPolarHBondContact O-CG2 3.42Å; T873-V877 PolarHBondContact O-N 3.24Å
874	L	72	Confident	71.8	Confident	124 Å²	124	102.5 Å²	102.5	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-69.1	-42	177.3	-175.2	66.7	0	0	0	112	D871 N872 V877 I878	D871-L874 PolarHBondContact O-N 3.11Å; N872-L874 PolarHBondContact O-N 2.9Å; L874-V877 PolarHBondContact O-N 3.19Å; L874-I878 HydrophobicContact CD1-CD1 4.43Å; L874-I878 HydrophobicContact CG-CD1 4.05Å; L874-I878 WeakPolarHBondContact O-CB 3.35Å; L874-I878 VanDerWaalsContact O-CG1 3.25Å; L874-I878 WeakPolarHBondContact O-CG1 3.06Å; L874-I878 PolarHBondContact O-N 3.13Å
875	L	76.8	Confident	73.1	Confident	101 Å²	101	105.8 Å²	105.8	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.2	-165.8	80.2	0	0	0	111.4	N872 I878 C879	N872-L875 HydrophobicContact CB-CB 4.49Å; N872-L875 CarbonylContact O-C 3.48Å; N872-L875 WeakPolarHBondContact O-CA 3.12Å; N872-L875 WeakPolarHBondContact O-CB 3.1Å; N872-L875 PolarHBondContact O-N 3.22Å; L875-I878 PolarHBondContact O-N 3.04Å; L875-C879 WeakPolarHBondContact O-CB 3.48Å; L875-C879 PolarHBondContact O-N 3.33Å; L875-C879 PolarHBondContact O-SG 2.92Å
876	V	81.2	Confident	74.7	Confident	77 Å²	77	106.6 Å²	106.6	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-68.5	-42.6	178.1	168.2	0	0	0	0	110.4	N872 C879 I880	N872-V876 VanDerWaalsContact O-CB 3.31Å; N872-V876 WeakPolarHBondContact O-CB 3.49Å; N872-V876 VanDerWaalsContact O-CG2 3.25Å; N872-V876 WeakPolarHBondContact O-CG2 3.44Å; N872-V876 PolarHBondContact O-N 3.43Å; V876-C879 PolarHBondContact O-N 3.21Å; V876-I880 HydrophobicContact CG1-CD1 3.8Å; V876-I880 HydrophobicContact CG1-CG1 4.46Å; V876-I880 WeakPolarHBondContact O-CB 3.41Å; V876-I880 VanDerWaalsContact O-CG1 3.25Å; V876-I880 WeakPolarHBondContact O-CG1 3.42Å; V876-I880 PolarHBondContact O-N 2.98Å
877	V	86.7	Confident	76.3	Confident	80 Å²	80	103.3 Å²	103.3	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-45.2	172.2	166.8	0	0	0	0	110.9	T873 L874 C879 I880 L881	T873-V877 WeakPolarHBondContact O-CB 3.26Å; T873-V877 VanDerWaalsContact O-CG2 3.24Å; T873-V877 WeakPolarHBondContact O-CG2 3.42Å; T873-V877 PolarHBondContact O-N 3.24Å; L874-V877 PolarHBondContact O-N 3.19Å; V877-C879 PolarHBondContact O-N 2.9Å; V877-I880 PolarHBondContact O-N 3.41Å; V877-L881 WeakPolarHBondContact O-CB 3.44Å; V877-L881 PolarHBondContact O-N 3.4Å
878	I	87.9	Confident	78.3	Confident	82 Å²	82	106.2 Å²	106.2	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174.5	-70.3	165.9	0	0	0	110.9	L874 L875 L881 F882	L874-I878 HydrophobicContact CD1-CD1 4.43Å; L874-I878 HydrophobicContact CG-CD1 4.05Å; L874-I878 WeakPolarHBondContact O-CB 3.35Å; L874-I878 VanDerWaalsContact O-CG1 3.25Å; L874-I878 WeakPolarHBondContact O-CG1 3.06Å; L874-I878 PolarHBondContact O-N 3.13Å; L875-I878 PolarHBondContact O-N 3.04Å; I878-L881 PolarHBondContact O-N 2.78Å; I878-F882 HydrophobicContact CG2-CD2 4.13Å; I878-F882 PolarHBondContact O-N 3.37Å
879	C	88.5	Confident	80.4	Confident	52 Å²	52	99.2 Å²	99.2	35%	0.351	52%	0.52	S	S	.	.	H	α-helix	trans	-64.3	-40.4	177	-76.5	0	0	0	0	112.8	L875 V876 V877 L881 F883	L875-C879 WeakPolarHBondContact O-CB 3.48Å; L875-C879 PolarHBondContact O-N 3.33Å; L875-C879 PolarHBondContact O-SG 2.92Å; V876-C879 PolarHBondContact O-N 3.21Å; V877-C879 PolarHBondContact O-N 2.9Å; C879-L881 VanDerWaalsContact C-N 3.33Å; C879-F883 HydrophobicContact CB-CD2 4.07Å; C879-F883 WeakPolarHBondContact O-CA 3.4Å; C879-F883 VanDerWaalsContact O-CB 3.28Å; C879-F883 WeakPolarHBondContact O-CB 3.49Å; C879-F883 WeakPolarHBondContact O-CD2 3.48Å; C879-F883 PolarHBondContact O-N 2.87Å
880	I	91.9	Very high	82.2	Confident	81 Å²	81	94.9 Å²	94.9	42%	0.415	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-42.2	174.4	-70.6	164.2	0	0	0	110	V876 V877 V884 I885	V876-I880 HydrophobicContact CG1-CD1 3.8Å; V876-I880 HydrophobicContact CG1-CG1 4.46Å; V876-I880 WeakPolarHBondContact O-CB 3.41Å; V876-I880 VanDerWaalsContact O-CG1 3.25Å; V876-I880 WeakPolarHBondContact O-CG1 3.42Å; V876-I880 PolarHBondContact O-N 2.98Å; V877-I880 PolarHBondContact O-N 3.41Å; I880-V884 HydrophobicContact CG2-CB 4.44Å; I880-V884 WeakPolarHBondContact O-CA 3.47Å; I880-V884 VanDerWaalsContact O-CB 3.27Å; I880-V884 WeakPolarHBondContact O-CB 3.27Å; I880-V884 PolarHBondContact O-N 3.13Å; I880-I885 HydrophobicContact CG2-CD1 4.3Å; I880-I885 HydrophobicContact CG2-CG1 4.37Å; I880-I885 PolarHBondContact O-N 3.13Å
881	L	92.3	Very high	84.2	Confident	81 Å²	81	93.3 Å²	93.3	42%	0.424	50%	0.501	S	S	.	.	I	π-helix	trans	-65.2	-44.1	179.7	-152.3	160.4	0	0	0	111.5	V877 I878 C879 L886	V877-L881 WeakPolarHBondContact O-CB 3.44Å; V877-L881 PolarHBondContact O-N 3.4Å; I878-L881 PolarHBondContact O-N 2.78Å; C879-L881 VanDerWaalsContact C-N 3.33Å; L881-L886 HydrophobicContact CD2-CD1 4.42Å; L881-L886 HydrophobicContact CD2-CG 4.33Å; L881-L886 PolarHBondContact O-N 3.2Å
882	F	91	Very high	85.9	Confident	124 Å²	124	88.7 Å²	88.7	54%	0.544	48%	0.484	S	S	.	.	I	π-helix	trans	-82.1	-35.2	-179.2	-91.6	-87.6	0	0	0	115.9	I878 L886 P887	I878-F882 HydrophobicContact CG2-CD2 4.13Å; I878-F882 PolarHBondContact O-N 3.37Å; F882-L886 HydrophobicContact CD1-CD1 3.83Å; F882-L886 HydrophobicContact CE1-CD1 3.91Å; F882-L886 HydrophobicContact CG-CD1 4.23Å; F882-L886 HydrophobicContact CZ-CD1 4.38Å; F882-P887 VanDerWaalsContact O-CD 3.26Å; F882-P887 WeakPolarHBondContact O-CD 3.39Å
883	F	90.5	Very high	87.2	Confident	160 Å²	160	88.9 Å²	88.9	70%	0.702	49%	0.488	S	S	*	.	I	π-helix	trans	-104.5	-8.9	-174.9	-61.7	-70.4	0	0	0	114.3	C879	C879-F883 HydrophobicContact CB-CD2 4.07Å; C879-F883 WeakPolarHBondContact O-CA 3.4Å; C879-F883 VanDerWaalsContact O-CB 3.28Å; C879-F883 WeakPolarHBondContact O-CB 3.49Å; C879-F883 WeakPolarHBondContact O-CD2 3.48Å; C879-F883 PolarHBondContact O-N 2.87Å
884	V	92.5	Very high	87.8	Confident	72 Å²	72	91.1 Å²	91.1	44%	0.436	49%	0.487	S	S	.	.	I	π-helix	trans	-121.3	-56.9	175.6	-171.2	0	0	0	0	111.1	I880 I888	I880-V884 HydrophobicContact CG2-CB 4.44Å; I880-V884 WeakPolarHBondContact O-CA 3.47Å; I880-V884 VanDerWaalsContact O-CB 3.27Å; I880-V884 WeakPolarHBondContact O-CB 3.27Å; I880-V884 PolarHBondContact O-N 3.13Å; V884-I888 HydrophobicContact CG1-CD1 3.81Å; V884-I888 WeakPolarHBondContact O-CB 3.11Å; V884-I888 WeakPolarHBondContact O-CD1 3.44Å; V884-I888 WeakPolarHBondContact O-CG1 3.05Å; V884-I888 PolarHBondContact O-N 3.19Å; V884-I888 VanDerWaalsContact O-N 3.14Å
885	I	92.7	Very high	88.3	Confident	78 Å²	78	90.9 Å²	90.9	40%	0.4	48%	0.479	S	S	.	.	I	π-helix	trans	-70.9	-52.3	-172.1	-58.9	178.4	0	0	0	111.8	I880 I888 I889	I880-I885 HydrophobicContact CG2-CD1 4.3Å; I880-I885 HydrophobicContact CG2-CG1 4.37Å; I880-I885 PolarHBondContact O-N 3.13Å; I885-I888 PolarHBondContact O-N 3.05Å; I885-I889 HydrophobicContact CG2-CD1 3.76Å; I885-I889 HydrophobicContact CG2-CG1 4.39Å; I885-I889 WeakPolarHBondContact O-CG1 3.48Å; I885-I889 PolarHBondContact O-N 3.48Å
886	L	92	Very high	88.4	Confident	78 Å²	78	90.6 Å²	90.6	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-42.3	179.1	-77.3	176.1	0	0	0	113.4	L881 F882 I889 G890	L881-L886 HydrophobicContact CD2-CD1 4.42Å; L881-L886 HydrophobicContact CD2-CG 4.33Å; L881-L886 PolarHBondContact O-N 3.2Å; F882-L886 HydrophobicContact CD1-CD1 3.83Å; F882-L886 HydrophobicContact CE1-CD1 3.91Å; F882-L886 HydrophobicContact CG-CD1 4.23Å; F882-L886 HydrophobicContact CZ-CD1 4.38Å; L886-I889 PolarHBondContact O-N 2.03Å; L886-G890 PolarHBondContact O-N 2.92Å
887	P	92.2	Very high	88	Confident	67 Å²	67	93.7 Å²	93.7	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-62.2	-38.8	172.6	-29	38.2	0	0	0	114	F882 G890 F891	F882-P887 VanDerWaalsContact O-CD 3.26Å; F882-P887 WeakPolarHBondContact O-CD 3.39Å; P887-G890 PolarHBondContact O-N 3.17Å; P887-F891 VanDerWaalsContact O-CB 3.28Å; P887-F891 WeakPolarHBondContact O-CB 3.45Å; P887-F891 PolarHBondContact O-N 3.04Å
888	I	92.9	Very high	87.2	Confident	115 Å²	115	94.9 Å²	94.9	59%	0.59	49%	0.491	S	S	*	.	H	α-helix	trans	-65.5	-42	175.4	-71.5	168.7	0	0	0	110.9	V884 I885 F891 G892	V884-I888 HydrophobicContact CG1-CD1 3.81Å; V884-I888 WeakPolarHBondContact O-CB 3.11Å; V884-I888 WeakPolarHBondContact O-CD1 3.44Å; V884-I888 WeakPolarHBondContact O-CG1 3.05Å; V884-I888 PolarHBondContact O-N 3.19Å; V884-I888 VanDerWaalsContact O-N 3.14Å; I885-I888 PolarHBondContact O-N 3.05Å; I888-F891 PolarHBondContact O-N 3Å; I888-G892 PolarHBondContact O-N 2.99Å
889	I	91.7	Very high	86.4	Confident	97 Å²	97	99.7 Å²	99.7	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-47.1	175.6	-67.2	170.3	0	0	0	110.4	I885 L886 F891 G892 V893	I885-I889 HydrophobicContact CG2-CD1 3.76Å; I885-I889 HydrophobicContact CG2-CG1 4.39Å; I885-I889 WeakPolarHBondContact O-CG1 3.48Å; I885-I889 PolarHBondContact O-N 3.48Å; L886-I889 PolarHBondContact O-N 2.03Å; I889-F891 PolarHBondContact O-N 2.82Å; I889-G892 PolarHBondContact O-N 2.61Å; I889-V893 WeakPolarHBondContact O-CG2 3.45Å; I889-V893 PolarHBondContact O-N 3.48Å
890	G	88	Confident	85.2	Confident	42 Å²	42	100.6 Å²	100.6	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-60.4	-43.4	177.5	0	0	0	0	0	112.8	L886 P887 V893 Y894	L886-G890 PolarHBondContact O-N 2.92Å; P887-G890 PolarHBondContact O-N 3.17Å; G890-V893 PolarHBondContact O-N 3.12Å; G890-Y894 WeakPolarHBondContact O-CB 3.23Å; G890-Y894 PolarHBondContact O-N 3.04Å
891	F	88.7	Confident	83.2	Confident	139 Å²	139	99.6 Å²	99.6	61%	0.61	52%	0.52	S	S	*	.	H	α-helix	trans	-67	-36.9	175	-167.7	-92.6	0	0	0	112.2	P887 I888 I889 Y894 Y895	P887-F891 VanDerWaalsContact O-CB 3.28Å; P887-F891 WeakPolarHBondContact O-CB 3.45Å; P887-F891 PolarHBondContact O-N 3.04Å; I888-F891 PolarHBondContact O-N 3Å; I889-F891 PolarHBondContact O-N 2.82Å; F891-Y894 PolarHBondContact O-N 3.04Å; F891-Y895 VanDerWaalsContact O-CB 3.25Å; F891-Y895 WeakPolarHBondContact O-CB 3.41Å; F891-Y895 PolarHBondContact O-N 2.84Å
892	G	87.4	Confident	81.2	Confident	32 Å²	32	106.2 Å²	106.2	33%	0.33	54%	0.539	S	S	.	.	H	α-helix	trans	-62.4	-46.2	173.1	0	0	0	0	0	112.6	I888 I889 Y895 V896	I888-G892 PolarHBondContact O-N 2.99Å; I889-G892 PolarHBondContact O-N 2.61Å; G892-Y895 PolarHBondContact O-N 2.9Å; G892-V896 WeakPolarHBondContact O-CG2 3.48Å; G892-V896 PolarHBondContact O-N 2.94Å
893	V	85.5	Confident	78.9	Confident	93 Å²	93	105.8 Å²	105.8	56%	0.564	55%	0.55	S	S	*	*	H	α-helix	trans	-62.5	-46	174.6	172.4	0	0	0	0	110.8	I889 G890 Y895 V896 F897	I889-V893 WeakPolarHBondContact O-CG2 3.45Å; I889-V893 PolarHBondContact O-N 3.48Å; G890-V893 PolarHBondContact O-N 3.12Å; V893-Y895 PolarHBondContact O-N 2.74Å; V893-V896 PolarHBondContact O-N 3.27Å; V893-F897 WeakPolarHBondContact O-CB 2.92Å; V893-F897 PolarHBondContact O-N 3.27Å
894	Y	81.8	Confident	76.8	Confident	139 Å²	139	106.6 Å²	106.6	55%	0.545	56%	0.561	S	S	.	*	H	α-helix	trans	-58.7	-44.3	175.5	176	-107.7	0	0	0	112.4	G890 F891 F897 I898	G890-Y894 WeakPolarHBondContact O-CB 3.23Å; G890-Y894 PolarHBondContact O-N 3.04Å; F891-Y894 PolarHBondContact O-N 3.04Å; Y894-F897 PolarHBondContact O-N 2.93Å; Y894-I898 HydrophobicContact CD1-CD1 4.19Å; Y894-I898 HydrophobicContact CD2-CD1 4.38Å; Y894-I898 HydrophobicContact CE1-CD1 3.61Å; Y894-I898 HydrophobicContact CE2-CD1 3.83Å; Y894-I898 HydrophobicContact CE2-CG1 4.49Å; Y894-I898 VanDerWaalsContact CZ-CD1 3.41Å; Y894-I898 PolarHBondContact O-N 3.02Å
895	Y	81.5	Confident	74.6	Confident	119 Å²	119	110.5 Å²	110.5	47%	0.467	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-42.4	176.4	-176.1	-93.9	0	0	0	112	F891 G892 V893 R899	F891-Y895 VanDerWaalsContact O-CB 3.25Å; F891-Y895 WeakPolarHBondContact O-CB 3.41Å; F891-Y895 PolarHBondContact O-N 2.84Å; G892-Y895 PolarHBondContact O-N 2.9Å; V893-Y895 PolarHBondContact O-N 2.74Å; Y895-R899 WeakPolarHBondContact O-CB 3.39Å; Y895-R899 PolarHBondContact O-N 3.19Å; Y895-R899 PolarHBondContact OH-NH1 2.98Å
896	V	80.5	Confident	72	Confident	94 Å²	94	111.4 Å²	111.4	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-65.3	-38.2	174	169.5	0	0	0	0	111.6	G892 V893 R899 S900	G892-V896 WeakPolarHBondContact O-CG2 3.48Å; G892-V896 PolarHBondContact O-N 2.94Å; V893-V896 PolarHBondContact O-N 3.27Å; V896-R899 PolarHBondContact O-N 2.59Å; V896-S900 WeakPolarHBondContact O-CB 3.42Å; V896-S900 PolarHBondContact O-N 3.3Å; V896-S900 PolarHBondContact O-OG 2.68Å
897	F	72	Confident	69.5	Low	142 Å²	142	114 Å²	114	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-43.3	179	-153.2	-88.9	0	0	0	111.9	V893 Y894 S900	V893-F897 WeakPolarHBondContact O-CB 2.92Å; V893-F897 PolarHBondContact O-N 3.27Å; Y894-F897 PolarHBondContact O-N 2.93Å; F897-S900 PolarHBondContact O-N 2.94Å; F897-S900 PolarHBondContact O-OG 3.39Å
898	I	70.8	Confident	67.1	Low	105 Å²	105	116.6 Å²	116.6	54%	0.538	63%	0.631	S	S	.	*	H	α-helix	trans	-63.7	-45.5	171.7	-73.5	178	0	0	0	110.8	Y894 S900 G901	Y894-I898 HydrophobicContact CD1-CD1 4.19Å; Y894-I898 HydrophobicContact CD2-CD1 4.38Å; Y894-I898 HydrophobicContact CE1-CD1 3.61Å; Y894-I898 HydrophobicContact CE2-CD1 3.83Å; Y894-I898 HydrophobicContact CE2-CG1 4.49Å; Y894-I898 VanDerWaalsContact CZ-CD1 3.41Å; Y894-I898 PolarHBondContact O-N 3.02Å; I898-S900 PolarHBondContact O-N 3.2Å; I898-G901 PolarHBondContact O-N 3.41Å
899	R	69.2	Low	64.3	Low	184 Å²	184	118.9 Å²	118.9	69%	0.694	64%	0.637	S	S	*	*	H	α-helix	trans	-69	-17	-177.8	-169.5	169.9	-179.3	120.5	5.3	114	Y895 V896	Y895-R899 WeakPolarHBondContact O-CB 3.39Å; Y895-R899 PolarHBondContact O-N 3.19Å; Y895-R899 PolarHBondContact OH-NH1 2.98Å; V896-R899 PolarHBondContact O-N 2.59Å
900	S	63.2	Low	61.7	Low	70 Å²	70	123.5 Å²	123.5	49%	0.49	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	7.3	176.1	50.3	0	0	0	0	114.4	V896 F897 I898 R902	V896-S900 WeakPolarHBondContact O-CB 3.42Å; V896-S900 PolarHBondContact O-N 3.3Å; V896-S900 PolarHBondContact O-OG 2.68Å; F897-S900 PolarHBondContact O-N 2.94Å; F897-S900 PolarHBondContact O-OG 3.39Å; I898-S900 PolarHBondContact O-N 3.2Å; S900-R902 VanDerWaalsContact C-N 3.32Å; S900-R902 PolarHBondContact O-N 2.04Å; S900-R902 VanDerWaalsContact O-N 3.13Å
901	G	51.1	Low	59.4	Low	60 Å²	60	130.7 Å²	130.7	62%	0.619	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	7.9	153.8	0	0	0	0	0	117.6	I898 C903	I898-G901 PolarHBondContact O-N 3.41Å; G901-C903 VanDerWaalsContact C-N 3.27Å; G901-C903 PolarHBondContact O-N 3.33Å
902	R	50.2	Low	56.9	Low	221 Å²	221	132.1 Å²	132.1	83%	0.834	69%	0.688	S	S	*	*			trans	-81.4	65	-178.9	-68.2	-168.6	177.4	-161.7	-0.4	113.4	S900 L904	S900-R902 VanDerWaalsContact C-N 3.32Å; S900-R902 PolarHBondContact O-N 2.04Å; S900-R902 VanDerWaalsContact O-N 3.13Å; R902-L904 PolarHBondContact O-N 3.47Å
903	C	41.8	Very low	54.2	Low	114 Å²	114	140.8 Å²	140.8	77%	0.77	71%	0.712	S	S	*	*			trans	-77.9	105.6	163.1	-69.2	0	0	0	0	109.8	G901 L905	G901-C903 VanDerWaalsContact C-N 3.27Å; G901-C903 PolarHBondContact O-N 3.33Å; C903-L905 PolarHBondContact O-N 2.84Å
904	L	47.7	Very low	52.1	Low	178 Å²	178	143.4 Å²	143.4	93%	0.932	73%	0.728	S	S	*	*			trans	-80.2	114.8	166.3	-101	168.4	0	0	0	109.2	R902	R902-L904 PolarHBondContact O-N 3.47Å
905	L	45.2	Very low	49.9	Very low	153 Å²	153	142.4 Å²	142.4	80%	0.801	74%	0.742	S	S	*	*			trans	-73.2	152	176.5	-94.6	75.8	0	0	0	111.9	C903	C903-L905 PolarHBondContact O-N 2.84Å
906	S	38.6	Very low	48.2	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	76%	0.762	S	S	*	*			trans	-68	144.7	163.9	178.7	0	0	0	0	111.2
907	T	39.2	Very low	46	Very low	131 Å²	131	142 Å²	142	80%	0.804	77%	0.773	S	S	*	*				176.4	120.3	111.8	33.6	0	0	0	0	113.7
908	S	41.8	Very low	44.3	Very low	122 Å²	122	144.1 Å²	144.1	85%	0.853	79%	0.789	S	S	*	*				-155.1	155.9	125.5	61.5	0	0	0	0	108.5
909	K	34.4	Very low	42.9	Very low	164 Å²	164	149.9 Å²	149.9	71%	0.713	80%	0.804	S	S	*	*			trans	-134.7	135.1	-179.4	-70.3	177.4	179.8	173.5	0	109.1
910	E	37.7	Very low	41.3	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	81%	0.809	S	S	*	*			trans	-129.8	143.5	142.1	-79.5	-162.6	131.2	0	0	108.7
911	F	39	Very low	40.3	Very low	194 Å²	194	151.7 Å²	151.7	85%	0.851	82%	0.82	S	S	*	*			trans	-153.3	142.3	176.6	-110.9	-86.8	0	0	0	108.4
912	I	35.5	Very low	39.6	Very low	168 Å²	168	157.5 Å²	157.5	86%	0.862	83%	0.828	S	S	*	*			trans	-79.6	140.9	-172.9	-62.2	167.6	0	0	0	110.8
913	Y	31.8	Very low	38.9	Very low	215 Å²	215	151.6 Å²	151.6	84%	0.843	81%	0.813	S	S	*	*			trans	-85.4	140.9	175.9	-79.4	-96.7	0	0	0	112.8
914	T	41.1	Very low	38.6	Very low	147 Å²	147	153.8 Å²	153.8	90%	0.902	81%	0.81	S	S	*	*			trans	-148.4	172.1	144.6	39.3	0	0	0	0	109.7
915	S	35.9	Very low	37.9	Very low	118 Å²	118	151.5 Å²	151.5	83%	0.825	80%	0.798	S	S	*	*			trans	-124.6	104.9	-149.5	55.9	0	0	0	0	116.3
916	S	45.5	Very low	37.4	Very low	129 Å²	129	150.3 Å²	150.3	90%	0.902	80%	0.801	S	S	*	*			trans	-160.2	130.8	149	54	0	0	0	0	109.4
917	G	34.9	Very low	37.4	Very low	76 Å²	76	152.1 Å²	152.1	78%	0.784	81%	0.809	S	S	*	*			trans	-112.8	125.4	-162.1	0	0	0	0	0	115.6
918	L	35.1	Very low	37.3	Very low	186 Å²	186	154 Å²	154	97%	0.974	81%	0.809	S	S	*	*			trans	-141.3	157.1	147.7	-139.5	73.1	0	0	0	109.2
919	R	42.8	Very low	37	Very low	226 Å²	226	154.3 Å²	154.3	85%	0.853	81%	0.809	S	S	*	*			trans	-134	142.6	-148.3	-157.1	-177	-174.3	-172.7	3.5	115.1
920	K	35.3	Very low	37.3	Very low	182 Å²	182	154.1 Å²	154.1	79%	0.791	81%	0.809	S	S	*	*			trans	97.1	146.4	161	-56.9	-176.9	-178.6	-179.1	0	116.8
921	P	41.5	Very low	37.4	Very low	110 Å²	110	150.1 Å²	150.1	71%	0.714	80%	0.8	S	S	*	*			cis	-137.6	166.3	-36.9	38.1	-21.9	0	0	0	115.2
922	F	36.9	Very low	37.6	Very low	183 Å²	183	149.2 Å²	149.2	80%	0.803	80%	0.799	S	S	*	*			trans	2.3	145.6	148.5	-69.1	-101.5	0	0	0	119.9
923	D	35.6	Very low	37.8	Very low	97 Å²	97	148.5 Å²	148.5	52%	0.519	80%	0.796	S	S	.	*			cis	-162	142.3	-17.4	-126.9	-12.8	0	0	0	105.4
924	K	36	Very low	38.3	Very low	160 Å²	160	145.3 Å²	145.3	70%	0.696	79%	0.787	S	S	*	*				39.7	135.7	103.5	-59.4	-167.7	179.1	-168.4	0	116.4
925	N	32.1	Very low	38.3	Very low	129 Å²	129	142 Å²	142	69%	0.69	77%	0.77	S	S	*	*			cis	-159.8	132.5	1	-108.9	9.3	0	0	0	108.7
926	C	35.4	Very low	38.5	Very low	128 Å²	128	144.7 Å²	144.7	87%	0.865	77%	0.767	S	S	*	*	S	Bend	trans	-156.8	15.1	169.8	-154.4	0	0	0	0	116.5
927	T	37	Very low	38.2	Very low	137 Å²	137	144.5 Å²	144.5	84%	0.84	76%	0.755	S	S	*	*	S	Bend	trans	-130.9	36.4	-169.5	53.3	0	0	0	0	114.3
928	E	37.9	Very low	38.5	Very low	171 Å²	171	144 Å²	144	80%	0.799	74%	0.744	S	S	*	*	S	Bend	trans	-120.7	-3.9	177.6	-155	160.1	-147.9	0	0	113.3
929	C	35.7	Very low	38.9	Very low	128 Å²	128	138.6 Å²	138.6	87%	0.865	72%	0.722	S	S	*	*	S	Bend	trans	-100	14.6	178.5	-160.5	0	0	0	0	113.8
930	F	39.7	Very low	38.9	Very low	160 Å²	160	134.5 Å²	134.5	70%	0.702	71%	0.71	S	S	*	*	S	Bend	trans	-110.8	-9	-173.3	-133.4	-92.9	0	0	0	114.8
931	C	39.9	Very low	39.4	Very low	108 Å²	108	130.3 Å²	130.3	73%	0.73	70%	0.7	S	S	*	*	S	Bend	trans	-93	-3	-173.1	-65.9	0	0	0	0	115.3
932	Q	43.4	Very low	39.4	Very low	175 Å²	175	130.9 Å²	130.9	82%	0.818	69%	0.693	S	S	*	*	S	Bend	trans	-98.4	-11.2	-178.7	-73.3	-171.7	-15.3	0	0	115.3	S935	Q932-S935 PolarHBondContact O-OG 2.87Å
933	L	39.9	Very low	39.7	Very low	153 Å²	153	127.5 Å²	127.5	80%	0.801	68%	0.683	S	S	*	*	S	Bend	trans	-87.7	-22.3	179.1	-121.9	78.1	0	0	0	114.3
934	F	42.5	Very low	39.9	Very low	148 Å²	148	129.2 Å²	129.2	65%	0.649	69%	0.686	S	S	*	*	S	Bend	trans	-97.3	-7	-174	-88	-80.8	0	0	0	115.2	F936	F934-F936 VanDerWaalsContact C-N 3.29Å; F934-F936 PolarHBondContact O-N 3.27Å
935	S	40.5	Very low	40.1	Very low	78 Å²	78	126.2 Å²	126.2	55%	0.545	68%	0.681	S	S	.	*	S	Bend	trans	-69.9	-24	175.1	51.8	0	0	0	0	113.4	Q932	Q932-S935 PolarHBondContact O-OG 2.87Å
936	F	40.1	Very low	40.4	Very low	174 Å²	174	128.7 Å²	128.7	76%	0.763	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-23.8	-172.6	-133.9	-93.6	0	0	0	114.5	F934	F934-F936 VanDerWaalsContact C-N 3.29Å; F934-F936 PolarHBondContact O-N 3.27Å
937	L	39.6	Very low	40.4	Very low	125 Å²	125	126.5 Å²	126.5	65%	0.654	67%	0.666	S	S	*	*	H	α-helix	trans	-77.4	-21.5	-179.8	-79.1	166.4	0	0	0	113.6
938	A	40.8	Very low	40.5	Very low	66 Å²	66	126 Å²	126	55%	0.545	66%	0.657	S	S	.	*	H	α-helix	trans	-72.2	-26.9	179.1	0	0	0	0	0	113.6	T941	A938-T941 PolarHBondContact O-OG1 3.19Å
939	S	44.4	Very low	40.2	Very low	73 Å²	73	128.6 Å²	128.6	51%	0.51	66%	0.66	S	S	.	*	H	α-helix	trans	-75.5	-29.6	-177.6	-171.2	0	0	0	0	113.2	T941 E942	S939-T941 VanDerWaalsContact C-N 3.33Å; S939-T941 PolarHBondContact O-N 3.19Å; S939-E942 PolarHBondContact O-N 3.35Å
940	F	43.8	Very low	39.9	Very low	140 Å²	140	128.1 Å²	128.1	61%	0.614	65%	0.653	S	S	*	*	H	α-helix	trans	-70.7	-28.7	-176.5	-135.3	-95.2	0	0	0	113.1	F944	F940-F944 HydrophobicContact CD1-CD2 4.34Å; F940-F944 HydrophobicContact CE1-CD2 4.27Å; F940-F944 HydrophobicContact CE1-CE2 4.18Å; F940-F944 PolarHBondContact O-N 3.19Å
941	T	44.8	Very low	39.4	Very low	94 Å²	94	126 Å²	126	58%	0.577	65%	0.653	S	S	*	*	H	α-helix	trans	-72.7	-28.7	178.3	34.3	0	0	0	0	114	A938 S939 T945	A938-T941 PolarHBondContact O-OG1 3.19Å; S939-T941 VanDerWaalsContact C-N 3.33Å; S939-T941 PolarHBondContact O-N 3.19Å; T941-T945 PolarHBondContact O-N 3.47Å; T941-T945 PolarHBondContact O-OG1 2.7Å
942	E	41.7	Very low	38.9	Very low	122 Å²	122	127.1 Å²	127.1	57%	0.57	66%	0.657	S	S	*	*	H	α-helix	trans	-74.1	-36.4	173.2	-72.4	-150.7	130.7	0	0	112.4	S939 T945 R946	S939-E942 PolarHBondContact O-N 3.35Å; E942-T945 WeakPolarHBondContact CA-OG1 3.25Å; E942-T945 PolarHBondContact O-N 3.01Å; E942-T945 PolarHBondContact O-OG1 3.37Å; E942-R946 WeakPolarHBondContact O-CB 3.2Å; E942-R946 PolarHBondContact O-N 3.31Å
943	L	42.5	Very low	38.2	Very low	111 Å²	111	126.4 Å²	126.4	58%	0.581	66%	0.657	S	S	*	*	H	α-helix	trans	-64.5	-43.9	177.9	-86.6	161.1	0	0	0	111.8	R946 S947	L943-R946 PolarHBondContact O-N 3.32Å; L943-S947 WeakPolarHBondContact O-CB 3.38Å; L943-S947 PolarHBondContact O-N 2.88Å
944	F	40	Very low	37.7	Very low	133 Å²	133	126.9 Å²	126.9	58%	0.583	66%	0.66	S	S	*	*	H	α-helix	trans	-68.8	-32.5	176.7	-106.6	-87	0	0	0	113.7	F940 I948	F940-F944 HydrophobicContact CD1-CD2 4.34Å; F940-F944 HydrophobicContact CE1-CD2 4.27Å; F940-F944 HydrophobicContact CE1-CE2 4.18Å; F940-F944 PolarHBondContact O-N 3.19Å; F944-I948 WeakPolarHBondContact O-CD1 3.37Å; F944-I948 WeakPolarHBondContact O-CG1 3.36Å
945	T	40.3	Very low	37	Very low	97 Å²	97	123.6 Å²	123.6	60%	0.595	67%	0.669	S	S	*	*	H	α-helix	trans	-79.5	-24.7	176.5	46.9	0	0	0	0	113.7	T941 E942	T941-T945 PolarHBondContact O-N 3.47Å; T941-T945 PolarHBondContact O-OG1 2.7Å; E942-T945 WeakPolarHBondContact CA-OG1 3.25Å; E942-T945 PolarHBondContact O-N 3.01Å; E942-T945 PolarHBondContact O-OG1 3.37Å
946	R	38.5	Very low	36.5	Very low	182 Å²	182	124.9 Å²	124.9	69%	0.687	68%	0.678	S	S	*	*	H	α-helix	trans	-74.2	-43.4	167.4	-85.8	-179.9	157.9	139.7	-5	112.8	E942 L943 I948 R949	E942-R946 WeakPolarHBondContact O-CB 3.2Å; E942-R946 PolarHBondContact O-N 3.31Å; L943-R946 PolarHBondContact O-N 3.32Å; R946-I948 PolarHBondContact O-N 3Å; R946-I948 VanDerWaalsContact O-N 3.13Å; R946-R949 PolarHBondContact O-N 3.21Å
947	S	36.5	Very low	35.9	Very low	81 Å²	81	123.7 Å²	123.7	57%	0.566	68%	0.679	S	S	*	*	H	α-helix	trans	-63.1	-21	-177.7	-168.4	0	0	0	0	114.5	L943 R949	L943-S947 WeakPolarHBondContact O-CB 3.38Å; L943-S947 PolarHBondContact O-N 2.88Å; S947-R949 VanDerWaalsContact C-N 3.33Å
948	I	38.6	Very low	35.3	Very low	127 Å²	127	124.4 Å²	124.4	65%	0.651	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-6.4	178.1	-69.1	170.6	0	0	0	112.1	F944 R946	F944-I948 WeakPolarHBondContact O-CD1 3.37Å; F944-I948 WeakPolarHBondContact O-CG1 3.36Å; R946-I948 PolarHBondContact O-N 3Å; R946-I948 VanDerWaalsContact O-N 3.13Å
949	R	30.6	Very low	34.7	Very low	225 Å²	225	127.4 Å²	127.4	85%	0.849	70%	0.7	S	S	*	*	S	Bend	trans	-112.8	7.1	-167.3	-132.9	173.4	-171.8	168.5	1.9	116.3	R946 S947	R946-R949 PolarHBondContact O-N 3.21Å; S947-R949 VanDerWaalsContact C-N 3.33Å
950	T	30.8	Very low	33.7	Very low	119 Å²	119	129.9 Å²	129.9	73%	0.73	71%	0.712	S	S	*	*	S	Bend	trans	-132.1	16.5	-176.5	51.4	0	0	0	0	115
951	T	29.2	Very low	32.9	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	72%	0.719	S	S	*	*			trans	-134.6	50.1	178.2	61.1	0	0	0	0	113
952	V	29.5	Very low	32.2	Very low	133 Å²	133	130 Å²	130	81%	0.806	73%	0.729	S	S	*	*			trans	-139.4	69.6	166.3	-168.6	0	0	0	0	109.8
953	I	28.2	Very low	31.5	Very low	160 Å²	160	131 Å²	131	82%	0.821	74%	0.738	S	S	*	*			trans	-136.3	85	161.3	-56.8	-179.5	0	0	0	106.9
954	D	28.1	Very low	30.7	Very low	162 Å²	162	134.9 Å²	134.9	87%	0.866	76%	0.756	S	S	*	*	S	Bend	trans	164.4	155.3	145.5	-92.9	-12.8	0	0	0	110.5
955	G	29.2	Very low	30.3	Very low	80 Å²	80	134.6 Å²	134.6	83%	0.825	77%	0.765	S	S	*	*			trans	92.6	108.4	172.9	0	0	0	0	0	114.8
956	S	28.7	Very low	29.6	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	78%	0.781	S	S	*	*			trans	-79.5	155.5	172.1	59.7	0	0	0	0	112.4
957	N	28	Very low	29.2	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	78%	0.78	S	S	*	*				166.9	73.6	123.6	-81	-5.8	0	0	0	111.6	V959	N957-V959 PolarHBondContact O-N 2.7Å
958	T	28.1	Very low	28.8	Very low	140 Å²	140	141.1 Å²	141.1	86%	0.859	79%	0.792	S	S	*	*			trans	-79.1	108.2	164.2	49.9	0	0	0	0	109.8	T960	T958-T960 PolarHBondContact O-N 2.91Å
959	V	26.8	Very low	28.2	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	80%	0.795	S	S	*	*			trans	-60	133.9	170.8	174.6	0	0	0	0	109.7	N957 V961	N957-V959 PolarHBondContact O-N 2.7Å; V959-V961 PolarHBondContact O-N 3.27Å
960	T	24.1	Very low	28.2	Very low	125 Å²	125	139 Å²	139	77%	0.767	79%	0.792	S	S	*	*			trans	-69	95.1	177.1	47.6	0	0	0	0	111.2	T958 S962	T958-T960 PolarHBondContact O-N 2.91Å; T960-S962 PolarHBondContact O-N 2.71Å
961	V	27.7	Very low	27.9	Very low	126 Å²	126	139.9 Å²	139.9	76%	0.764	79%	0.792	S	S	*	*			trans	-73.5	103.7	160.3	179.2	0	0	0	0	107.6	V959 N963	V959-V961 PolarHBondContact O-N 3.27Å; V961-N963 PolarHBondContact O-N 3.44Å
962	S	28.7	Very low	27.8	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	80%	0.801	S	S	*	*			trans	-62.1	105.6	177.9	-61.5	0	0	0	0	110.8	T960 M964	T960-S962 PolarHBondContact O-N 2.71Å; S962-M964 PolarHBondContact O-N 3.29Å
963	N	27.7	Very low	27.7	Very low	144 Å²	144	143 Å²	143	77%	0.77	79%	0.794	S	S	*	*			trans	-58.8	118.5	175.8	-87.7	-43.1	0	0	0	111	V961 T965	V961-N963 PolarHBondContact O-N 3.44Å; N963-T965 PolarHBondContact O-N 2.85Å
964	M	26.3	Very low	27.8	Very low	192 Å²	192	140.8 Å²	140.8	95%	0.946	79%	0.788	S	S	*	*			trans	-65.9	104.2	157.6	-83.2	-168.3	166.5	0	0	108.6	S962 K966	S962-M964 PolarHBondContact O-N 3.29Å; M964-K966 PolarHBondContact O-N 3.45Å; M964-K966 VanDerWaalsContact O-N 3.14Å
965	T	30.5	Very low	27.8	Very low	127 Å²	127	140.2 Å²	140.2	78%	0.779	79%	0.785	S	S	*	*			trans	-72.7	102.2	-172.5	35.1	0	0	0	0	112.5	N963 S967	N963-T965 PolarHBondContact O-N 2.85Å; T965-S967 PolarHBondContact O-N 3.48Å
966	K	25.2	Very low	27.8	Very low	215 Å²	215	140.4 Å²	140.4	94%	0.935	77%	0.774	S	S	*	*			trans	-79.1	106.9	159.8	-89	-173.6	174.6	178.1	0	110.6	M964	M964-K966 PolarHBondContact O-N 3.45Å; M964-K966 VanDerWaalsContact O-N 3.14Å
967	S	30	Very low	27.9	Very low	95 Å²	95	144.2 Å²	144.2	66%	0.664	78%	0.777	S	S	*	*			trans	-158.6	137.2	172.4	149.1	0	0	0	0	105.6	T965	T965-S967 PolarHBondContact O-N 3.48Å
968	K	28.7	Very low	28.1	Very low	186 Å²	186	143.6 Å²	143.6	81%	0.809	77%	0.774	S	S	*	*			cis	-160.7	132.1	6.8	-116.4	173.1	-176	178.9	0	104.7
969	I	27	Very low	28.3	Very low	142 Å²	142	147 Å²	147	73%	0.728	77%	0.771	S	S	*	*				30.5	106.1	87.5	-54.8	-179.4	0	0	0	110.7
970	Q	28.9	Very low	28.6	Very low	166 Å²	166	146.7 Å²	146.7	78%	0.776	77%	0.77	S	S	*	*				-171.1	141.1	60	-141.7	152.6	-0.1	0	0	114.7
971	N	25.9	Very low	29.2	Very low	137 Å²	137	145.3 Å²	145.3	73%	0.733	76%	0.763	S	S	*	*			trans	14.4	125.9	149.4	-53.9	-4	0	0	0	123.5	V973	N971-V973 HydrophobicContact CB-CG2 4.36Å
972	K	26.3	Very low	29.3	Very low	204 Å²	204	149.2 Å²	149.2	89%	0.887	77%	0.765	S	S	*	*				-143.1	133.4	122.7	-102.1	-177.1	178.8	179.4	0	106.5
973	V	28.1	Very low	29.2	Very low	110 Å²	110	150 Å²	150	67%	0.667	76%	0.76	S	S	*	*			cis	67.3	105.7	29.4	-169.4	0	0	0	0	109.9	N971	N971-V973 HydrophobicContact CB-CG2 4.36Å
974	T	30.7	Very low	29.4	Very low	112 Å²	112	150.6 Å²	150.6	69%	0.687	76%	0.758	S	S	*	*			cis	-144.2	151.4	43.8	50.3	0	0	0	0	116.3
975	D	28.1	Very low	29.5	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	74%	0.743	S	S	*	*			trans	50.8	152	135.7	-67.7	-30.6	0	0	0	124.7
976	S	28	Very low	29.4	Very low	85 Å²	85	149.3 Å²	149.3	59%	0.594	75%	0.751	S	S	*	*			cis	-171	178.5	-15.7	57.4	0	0	0	0	111.7
977	K	32.2	Very low	30.6	Very low	184 Å²	184	144.5 Å²	144.5	80%	0.8	74%	0.742	S	S	*	*			trans	76.3	134.4	176.5	-53	164.6	-171.4	172.1	0	113
978	N	31.4	Very low	31	Very low	135 Å²	135	145.4 Å²	145.4	72%	0.722	75%	0.745	S	S	*	*			cis	-158.4	175.9	4.9	-94.2	-27	0	0	0	106.4
979	R	31.7	Very low	31.1	Very low	212 Å²	212	143.9 Å²	143.9	80%	0.8	74%	0.744	S	S	*	*			cis	-172.6	156.9	-10.6	-106.6	-176.2	177.9	-161	-0.8	104.4
980	T	32.6	Very low	31.2	Very low	123 Å²	123	145.8 Å²	145.8	76%	0.755	75%	0.75	S	S	*	*			cis	-159.5	161	-10	9.1	0	0	0	0	108
981	P	37.1	Very low	31.2	Very low	96 Å²	96	147.9 Å²	147.9	62%	0.623	76%	0.756	S	S	*	*			trans	-129.8	-166.8	-154	26.1	-1.2	0	0	0	116.4
982	Y	30.1	Very low	31.3	Very low	207 Å²	207	146 Å²	146	81%	0.812	75%	0.754	S	S	*	*			trans	77.2	156.5	157.1	-67.6	-48	0	0	0	118.9
983	L	27.8	Very low	31.6	Very low	128 Å²	128	144.2 Å²	144.2	67%	0.67	75%	0.749	S	S	*	*			cis	-168.6	176	-17.4	-179.1	59.9	0	0	0	109.3
984	H	31.2	Very low	31.5	Very low	157 Å²	157	149.6 Å²	149.6	73%	0.727	76%	0.757	S	S	*	*			trans	77.5	163.8	163.8	-70.1	-68.7	0	0	0	120.5
985	S	27.8	Very low	31.4	Very low	91 Å²	91	150.8 Å²	150.8	64%	0.636	76%	0.758	S	S	*	*				-174.2	117.2	-70.6	51.7	0	0	0	0	114.8
986	Q	29.8	Very low	31.4	Very low	200 Å²	200	154 Å²	154	94%	0.935	76%	0.759	S	S	*	*			trans	57.1	161.3	152.3	-75.1	-161.5	-13.3	0	0	123.5
987	P	49.3	Very low	31.4	Very low	115 Å²	115	156.7 Å²	156.7	75%	0.747	77%	0.766	S	S	*	*			trans	-128.4	-172.1	-164.3	45.3	-30.1	0	0	0	115.4
988	P	39.2	Very low	31.3	Very low	113 Å²	113	152.8 Å²	152.8	73%	0.734	76%	0.762	S	S	*	*			trans	-136.8	135.7	163.6	27.7	-6.3	0	0	0	119.1
989	I	29.8	Very low	31.2	Very low	155 Å²	155	151 Å²	151	80%	0.795	76%	0.76	S	S	*	*			trans	80.9	109	131.6	-58.7	169.5	0	0	0	123.2
990	Q	29.3	Very low	31	Very low	182 Å²	182	147 Å²	147	85%	0.85	76%	0.76	S	S	*	*			trans	11.3	142.4	140.2	-55.8	179	-14.2	0	0	124.5
991	K	29.5	Very low	30.8	Very low	209 Å²	209	147.2 Å²	147.2	91%	0.909	76%	0.76	S	S	*	*				-159.3	153	113.6	-113	173.7	-174.6	175.7	0	114.7
992	S	28.5	Very low	30.2	Very low	97 Å²	97	151.9 Å²	151.9	68%	0.678	77%	0.771	S	S	*	*			trans	-76.2	168.7	176.9	56	0	0	0	0	113.4
993	Q	31.8	Very low	30.5	Very low	168 Å²	168	147.8 Å²	147.8	79%	0.785	77%	0.77	S	S	*	*			cis	-155.3	143.7	43.1	-71.4	-174.9	-4.8	0	0	110.5
994	R	26	Very low	30.3	Very low	223 Å²	223	150.3 Å²	150.3	84%	0.842	78%	0.78	S	S	*	*				80.1	139	80	-148.1	-165.6	-160.4	-170.2	7.8	115.4
995	I	29.2	Very low	30.1	Very low	137 Å²	137	149.3 Å²	149.3	70%	0.703	79%	0.785	S	S	*	*			trans	99.3	103.2	161.4	-55.2	-179.2	0	0	0	119.3
996	R	28.6	Very low	29.9	Very low	218 Å²	218	150.9 Å²	150.9	82%	0.823	79%	0.791	S	S	*	*			trans	50.8	128.2	135.5	-64.5	-175.5	-166.4	175.6	3.8	124
997	N	27.7	Very low	29.7	Very low	140 Å²	140	147.3 Å²	147.3	75%	0.749	78%	0.783	S	S	*	*				92.2	127.6	126.7	-73.4	22.1	0	0	0	123.3
998	S	28.4	Very low	28.7	Very low	102 Å²	102	149 Å²	149	71%	0.713	78%	0.784	S	S	*	*			trans	76.4	121.3	134.1	61.9	0	0	0	0	122.8
999	S	30.1	Very low	28.3	Very low	97 Å²	97	148 Å²	148	68%	0.678	78%	0.779	S	S	*	*			trans	59.5	99.4	136.2	60.5	0	0	0	0	120.9
1000	T	27.1	Very low	28.2	Very low	129 Å²	129	148.5 Å²	148.5	79%	0.791	78%	0.778	S	S	*	*				30.3	124.2	118.7	57.6	0	0	0	0	120.1
1001	V	29.2	Very low	28.7	Very low	127 Å²	127	145 Å²	145	77%	0.77	77%	0.771	S	S	*	*				174	116.4	106.4	155.5	0	0	0	0	112.5
1002	K	25	Very low	28.8	Very low	194 Å²	194	140.6 Å²	140.6	84%	0.843	76%	0.762	S	S	*	*			trans	52.6	-164.3	152.2	-58.8	-175.6	175.7	-179.1	0	117.6
1003	P	35	Very low	28.9	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	76%	0.763	S	S	*	*				-129.2	-175.8	-89	42.3	-26.8	0	0	0	116.2
1004	M	24.6	Very low	28.9	Very low	181 Å²	181	139.6 Å²	139.6	89%	0.892	76%	0.758	S	S	*	*			trans	-62.1	140.8	179.7	-55.9	160.9	76.6	0	0	115.1
1005	V	26.7	Very low	29.1	Very low	137 Å²	137	139.5 Å²	139.5	83%	0.83	76%	0.759	S	S	*	*			trans	-144.4	115.7	144.6	-175.2	0	0	0	0	112.4
1006	T	24	Very low	29.3	Very low	124 Å²	124	141 Å²	141	76%	0.761	76%	0.764	S	S	*	*			trans	-4.4	162.9	147.3	-21.8	0	0	0	0	124.5
1007	V	24.6	Very low	29.4	Very low	125 Å²	125	136.6 Å²	136.6	76%	0.758	76%	0.761	S	S	*	*			trans	98.3	145.2	149.2	-142.9	0	0	0	0	120.5
1008	I	29.1	Very low	29.6	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	76%	0.76	S	S	*	*			trans	93.1	128.5	158.6	-51.9	-179.6	0	0	0	117.5
1009	S	30	Very low	29.7	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	76%	0.764	S	S	*	*			cis	-170.6	137.3	-28.6	63.2	0	0	0	0	112.6
1010	H	28	Very low	29.8	Very low	166 Å²	166	138.6 Å²	138.6	77%	0.769	76%	0.763	S	S	*	*			trans	58.5	163.1	132.6	-78.9	-24.3	0	0	0	122
1011	P	40.4	Very low	30	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	76%	0.757	S	S	*	*			cis	-95.4	-126.3	28.9	-0.3	24.6	0	0	0	118.6
1012	T	30.7	Very low	30	Very low	116 Å²	116	140 Å²	140	71%	0.712	76%	0.756	S	S	*	*			trans	-149.7	-168.2	-138.2	45	0	0	0	0	110
1013	V	31.5	Very low	30.2	Very low	115 Å²	115	136.8 Å²	136.8	70%	0.697	75%	0.748	S	S	*	*			cis	-151.6	154.6	35.4	-178	0	0	0	0	111.4
1014	N	31	Very low	29.8	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	74%	0.742	S	S	*	*			trans	15.9	116	163.3	-58.5	-5.5	0	0	0	119.6
1015	Y	31	Very low	30	Very low	221 Å²	221	135.8 Å²	135.8	87%	0.867	73%	0.734	S	S	*	*				65.9	144.4	81.8	-79.4	-66.6	0	0	0	113.5
1016	Q	32.5	Very low	30.1	Very low	170 Å²	170	137.3 Å²	137.3	79%	0.794	73%	0.73	S	S	*	*			cis	-106.6	-155.5	16.5	-62.2	-172	-67.6	0	0	111.7
1017	T	31.6	Very low	30.2	Very low	124 Å²	124	139 Å²	139	76%	0.761	73%	0.729	S	S	*	*			cis	-148.9	-139.3	12.1	-31.3	0	0	0	0	112.6
1018	V	30.8	Very low	30.3	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	73%	0.734	S	S	*	*			trans	-134.1	127.1	-162.9	172.3	0	0	0	0	108.3
1019	L	31.2	Very low	30.2	Very low	153 Å²	153	136.5 Å²	136.5	80%	0.801	74%	0.736	S	S	*	*				73.3	145.8	72.5	-113.4	71.7	0	0	0	113.3
1020	T	31.7	Very low	30	Very low	108 Å²	108	140.2 Å²	140.2	66%	0.663	75%	0.748	S	S	*	*			cis	-134.5	-174.5	6.2	44.9	0	0	0	0	110
1021	D	30.5	Very low	30.1	Very low	122 Å²	122	139.5 Å²	139.5	65%	0.652	75%	0.75	S	S	*	*			cis	-153	-176.8	-13.5	-110.9	-30.5	0	0	0	107.1
1022	Q	30	Very low	29.7	Very low	162 Å²	162	143.1 Å²	143.1	76%	0.757	76%	0.758	S	S	*	*			cis	72	139.6	37.7	-46.7	-161.2	22.6	0	0	115.8
1023	L	29	Very low	29.5	Very low	127 Å²	127	143.7 Å²	143.7	67%	0.665	77%	0.765	S	S	*	*			cis	-152.1	162.3	-1.7	-152.6	78.3	0	0	0	111.7
1024	N	27.2	Very low	30.2	Very low	123 Å²	123	143.7 Å²	143.7	66%	0.658	77%	0.767	S	S	*	*			trans	20.7	148.9	145.6	-72.3	-20.6	0	0	0	121.9
1025	Q	28.7	Very low	30.2	Very low	158 Å²	158	148.3 Å²	148.3	74%	0.738	78%	0.775	S	S	*	*			cis	-172.6	143.2	16.6	-128.8	175.6	38.8	0	0	111.2
1026	K	28.8	Very low	30.2	Very low	170 Å²	170	147.1 Å²	147.1	74%	0.739	77%	0.769	S	S	*	*				155.2	126.7	127.9	-92	-173.3	169.8	-174.2	0	116.6
1027	Q	26.5	Very low	30.1	Very low	158 Å²	158	144.9 Å²	144.9	74%	0.738	76%	0.759	S	S	*	*			trans	58.5	154.2	136.9	-64.4	179.5	-92.5	0	0	122.8
1028	S	26.9	Very low	30.2	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	76%	0.762	S	S	*	*			trans	82.2	110.5	163.7	-50.1	0	0	0	0	117.2
1029	A	25.5	Very low	30.3	Very low	100 Å²	100	149.3 Å²	149.3	83%	0.826	77%	0.767	S	S	*	*			trans	-82.5	150	172.1	0	0	0	0	0	112.2
1030	L	27.2	Very low	30.7	Very low	169 Å²	169	146.4 Å²	146.4	89%	0.885	76%	0.757	S	S	*	*			trans	-155.2	143.5	141.9	-146.6	72.6	0	0	0	110.7
1031	N	29.7	Very low	30.6	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	77%	0.766	S	S	*	*			trans	-87.3	116.1	175.7	-85.7	-16.8	0	0	0	111.3
1032	Q	31.6	Very low	30.6	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	77%	0.766	S	S	*	*			trans	30.8	106.4	143.8	-59.4	-178.8	-0.3	0	0	119.3
1033	C	25.8	Very low	30.7	Very low	128 Å²	128	145 Å²	145	87%	0.865	77%	0.768	S	S	*	*			trans	-93.4	158.5	145	-61.8	0	0	0	0	110
1034	P	46.8	Very low	30.7	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	77%	0.772	S	S	*	*			trans	-123	110.1	170.9	36	-22.5	0	0	0	115.3
1035	R	32.2	Very low	30.7	Very low	225 Å²	225	144.8 Å²	144.8	85%	0.849	77%	0.769	S	S	*	*			trans	66.9	156.1	151	-60.7	175.9	-178.3	179.9	1.1	116.5
1036	R	30.5	Very low	30.7	Very low	196 Å²	196	145.9 Å²	145.9	74%	0.74	77%	0.771	S	S	*	*			cis	-151	169.2	-4.7	-119.7	158.6	172.6	-142	13.3	105.5
1037	E	30.9	Very low	30.6	Very low	124 Å²	124	146.2 Å²	146.2	58%	0.579	78%	0.775	S	S	*	*			cis	-161.8	166.9	26.7	-146.2	136	-131.2	0	0	111.8
1038	Q	33.6	Very low	30.6	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	78%	0.781	S	S	*	*			trans	59.8	94.3	155.8	-76.3	161.3	26	0	0	123.5
1039	L	31.2	Very low	30.6	Very low	159 Å²	159	144.3 Å²	144.3	83%	0.832	77%	0.77	S	S	*	*			trans	-54.2	-175.1	141	-104.3	70.3	0	0	0	114.5
1040	P	39.8	Very low	30.8	Very low	92 Å²	92	147.8 Å²	147.8	60%	0.597	77%	0.769	S	S	*	*			cis	-149.5	164.4	-21.3	36.5	-15.8	0	0	0	119.5
1041	T	29.7	Very low	31	Very low	137 Å²	137	149.7 Å²	149.7	84%	0.84	77%	0.77	S	S	*	*			trans	62.7	166.5	140.8	58	0	0	0	0	121.1
1042	S	30.5	Very low	31	Very low	95 Å²	95	148.2 Å²	148.2	66%	0.664	77%	0.767	S	S	*	*			cis	-146.5	145.2	11.4	77.2	0	0	0	0	112.7
1043	V	32.1	Very low	31.5	Very low	131 Å²	131	144.7 Å²	144.7	79%	0.794	76%	0.76	S	S	*	*				62.3	127.6	98.4	178.5	0	0	0	0	115
1044	E	29.6	Very low	31.7	Very low	162 Å²	162	144.2 Å²	144.2	76%	0.757	76%	0.757	S	S	*	*			cis	-171.2	160.1	-18	-137.7	-65.5	90.5	0	0	111.8
1045	S	27	Very low	31	Very low	83 Å²	83	143.1 Å²	143.1	58%	0.58	75%	0.752	S	S	*	*			trans	92	142.6	147.1	87.3	0	0	0	0	122.6
1046	K	28.2	Very low	31.1	Very low	182 Å²	182	139.7 Å²	139.7	79%	0.791	75%	0.749	S	S	*	*			trans	69.7	108.2	157.1	-69.1	-178.6	-179.7	175.4	0	122.7
1047	Q	27.5	Very low	31.2	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	75%	0.751	S	S	*	*			trans	65.2	135.5	131.7	-71.1	-176.9	-43.5	0	0	123.3
1048	L	27.3	Very low	31.2	Very low	166 Å²	166	138 Å²	138	87%	0.869	76%	0.758	S	S	*	*			trans	98.3	129	143.4	-132.9	76.1	0	0	0	121.2
1049	A	27.1	Very low	31	Very low	76 Å²	76	136.3 Å²	136.3	63%	0.628	75%	0.75	S	S	*	*			trans	65.9	105.8	149	0	0	0	0	0	123.1
1050	H	27.9	Very low	30.9	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	75%	0.745	S	S	*	*				40	126.9	127.2	-65	-82.1	0	0	0	122.1
1051	K	31.4	Very low	30.3	Very low	209 Å²	209	140.3 Å²	140.3	91%	0.909	75%	0.754	S	S	*	*				-161.5	152	94.6	-104.4	168.2	-174.9	176.2	0	114.5
1052	T	30.4	Very low	30.3	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	75%	0.752	S	S	*	*			trans	-116.3	-172.7	-175.1	0.3	0	0	0	0	109.3
1053	P	42.8	Very low	30.3	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	75%	0.75	S	S	*	*			cis	-122.6	-158.2	24.8	45.1	-27.3	0	0	0	112.4
1054	C	29.8	Very low	30.3	Very low	117 Å²	117	145.8 Å²	145.8	79%	0.791	76%	0.757	S	S	*	*			cis	-152.6	170.9	9.1	-134.4	0	0	0	0	109.3
1055	S	32.5	Very low	30.4	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	75%	0.751	S	S	*	*			cis	-142.5	153.8	1.4	65.5	0	0	0	0	112.8
1056	L	34	Very low	30.7	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	76%	0.76	S	S	*	*			trans	43.5	104.4	151.5	-58.9	167.4	0	0	0	119.7
1057	V	31.4	Very low	30.9	Very low	128 Å²	128	146.7 Å²	146.7	78%	0.776	76%	0.762	S	S	*	*				88.3	109.4	63.5	166.6	0	0	0	0	113
1058	H	31.2	Very low	31.2	Very low	156 Å²	156	142.9 Å²	142.9	72%	0.722	75%	0.75	S	S	*	*				65.8	147.6	74.2	-108.5	29.1	0	0	0	114.9
1059	Q	28.7	Very low	31.4	Very low	143 Å²	143	142 Å²	142	67%	0.668	75%	0.746	S	S	*	*			cis	-165.7	170.3	-31.6	-135	-169.9	20.1	0	0	109
1060	Q	29.3	Very low	31.6	Very low	156 Å²	156	146.3 Å²	146.3	73%	0.729	76%	0.758	S	S	*	*			trans	-26.5	145	173	-57	168.9	-12.3	0	0	119.9
1061	K	28.5	Very low	31.5	Very low	179 Å²	179	143.2 Å²	143.2	78%	0.778	76%	0.755	S	S	*	*				172	140.8	110.3	-98	173.4	177.8	175.2	0	116.6
1062	I	30	Very low	31.6	Very low	155 Å²	155	142 Å²	142	80%	0.795	75%	0.753	S	S	*	*			trans	67.7	157.1	143	-64	167.2	0	0	0	118.5
1063	A	30.6	Very low	31.6	Very low	77 Å²	77	144 Å²	144	64%	0.636	75%	0.754	S	S	*	*				-173.6	159.3	-63.5	0	0	0	0	0	111.3
1064	R	31.2	Very low	31	Very low	247 Å²	247	144.4 Å²	144.4	93%	0.932	75%	0.748	S	S	*	*			trans	74.2	160.3	169.2	-54.3	177.3	170.2	170.9	-3.6	115.6
1065	S	32.2	Very low	31	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	75%	0.748	S	S	*	*			cis	-145.9	155.6	10.3	68.4	0	0	0	0	116.1
1066	Q	33.6	Very low	30.9	Very low	166 Å²	166	148.6 Å²	148.6	78%	0.776	75%	0.752	S	S	*	*			trans	56.4	148.5	139.1	-69.7	158.1	-31.4	0	0	120.9
1067	K	31.6	Very low	30.7	Very low	189 Å²	189	146.1 Å²	146.1	82%	0.822	75%	0.753	S	S	*	*			cis	-130.3	132.8	27	-86.7	-176.3	177.6	177.6	0	112.1
1068	T	33.9	Very low	30.6	Very low	96 Å²	96	144.7 Å²	144.7	59%	0.589	75%	0.749	S	S	*	*				56.6	139.7	82.6	68.5	0	0	0	0	115.4
1069	N	31.6	Very low	30.5	Very low	147 Å²	147	141.8 Å²	141.8	79%	0.786	75%	0.746	S	S	*	*			cis	-160.9	169.3	-7.4	-112.2	7	0	0	0	107.6
1070	I	31.6	Very low	30.7	Very low	168 Å²	168	144 Å²	144	86%	0.862	75%	0.754	S	S	*	*				-179.4	161.3	90.1	-85.2	174.6	0	0	0	108.2
1071	S	26.2	Very low	31	Very low	106 Å²	106	145 Å²	145	74%	0.741	76%	0.755	S	S	*	*			trans	-136.8	140.3	-178.5	59.5	0	0	0	0	113.7
1072	E	32.7	Very low	31.3	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	75%	0.75	S	S	*	*			trans	-165.5	129.6	153	-101.6	166.1	-180	0	0	106
1073	Q	30.8	Very low	31.6	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.762	75%	0.75	S	S	*	*				86.8	137.9	56.9	-79.6	-152.3	17.6	0	0	116
1074	I	30	Very low	32.1	Very low	121 Å²	121	150.6 Å²	150.6	62%	0.621	78%	0.775	S	S	*	*			trans	79.7	111.6	144.5	-80.1	174.8	0	0	0	120.3
1075	K	29.6	Very low	32.2	Very low	178 Å²	178	145.8 Å²	145.8	77%	0.774	77%	0.767	S	S	*	*			trans	65.3	161.7	143.1	-64.3	178.8	-161.7	167	0	118.4
1076	T	30.1	Very low	32.2	Very low	118 Å²	118	148.7 Å²	148.7	72%	0.724	78%	0.775	S	S	*	*			cis	-166.6	151.4	-20.7	27.7	0	0	0	0	109.3
1077	A	29.7	Very low	32.1	Very low	100 Å²	100	147.8 Å²	147.8	83%	0.826	78%	0.775	S	S	*	*			trans	63.9	164.2	151.2	0	0	0	0	0	118.2
1078	S	30.1	Very low	32.1	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	77%	0.772	S	S	*	*			cis	-167.5	143.8	-30.8	176.9	0	0	0	0	110.1
1079	S	28.8	Very low	32	Very low	95 Å²	95	148.4 Å²	148.4	66%	0.664	78%	0.783	S	S	*	*			trans	67.6	134.4	150	-66.1	0	0	0	0	122.9
1080	K	33.6	Very low	32	Very low	190 Å²	190	148.5 Å²	148.5	83%	0.826	78%	0.783	S	S	*	*			trans	82.5	130.4	136.2	-78.3	168.7	-178	171.9	0	121.9
1081	K	35	Very low	32.1	Very low	175 Å²	175	147.1 Å²	147.1	76%	0.761	78%	0.778	S	S	*	*			trans	97.3	122.5	131.3	-88.8	-171.6	156.2	-164.7	0	121.5
1082	I	34.6	Very low	32.5	Very low	130 Å²	130	150.3 Å²	150.3	67%	0.667	78%	0.78	S	S	*	*			trans	88.7	104.9	133.8	-67.3	171.9	0	0	0	119.2
1083	V	36	Very low	32.5	Very low	131 Å²	131	147.4 Å²	147.4	79%	0.794	77%	0.773	S	S	*	*				41.5	124.9	127.4	-169.7	0	0	0	0	119.1
1084	K	41.6	Very low	32.6	Very low	269 Å²	269	146 Å²	146	100%	1.17	77%	0.774	S	S	*	*				-123.1	0	125.7	-150.3	176.9	-172.6	-177.9	0	108.9

Retrieved 1,084 of 1,084 residues in 936.8 ms (Link to these results)

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