A0A3Q0KPV4_SCHMA Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,111 aa.

						>A0A3Q0KPV4_SCHMA|A0A3Q0KPV4
MKNNRSPECLDCSDEVWQPRNQTTSECSELPVTTRYTEVVNRTSSLPLPSNGLLIGEDSSLPVVEDNVSINQDRTTDNLQRAKNVRQSLRSFLRKATSLKDSRSNLNIECSVIGLDGKCFRFNLCKFALGRELFDLVCQCLELGESQYFGLAYYLNRSATRNSTVGTHRDEEDSSDVSFRLSSSSIDKSHLTKFCGFPMTNSFNPCKMYSNDTTYPGFNPFFIDVPFWLDVEKRITDQCHGSKMIFYFQVKFYPQHPDLVFDCPKSRYQFCLQLRHHLSIGRLLCSFETHVILGALIAQMDLGNAVKHRRSRSGHSSCRSNPYVESTSHDFSRRQSTSPARSFSSERRCSLAQPEHSDDSIIWDARVDNKSKIDKPCSSSVGNKTSTCNHIGCSCSTQQIDNISIMYLQCLPHLARGSVTSSSIQHSTNDISNGSRPSLLSSTLNNIEDVLLSPVKQTFSPGWPYPKSDCRYCPVLLSRIARLHRNLRGMPQKDAEISFLKNVKKLSFYGVELHPIKKFHASYISSGSFKNITKKLANSFSTRSRTSSVESYHNFIDTSSIGSNQLLNSNRTHNSLSISGLKSSLRRMFSVKSQDQPLFPFAFNDYPNFDFSLGVYFAGLFLQWGHIRLSHYKWSRIVKICFYLDEFCLVVKSNHIKSSSSPRILLKCKFAFQKLARRFYRACVEHHMFFKIHCKHLVHSNINKRESCKTEPIVLPVNHTLHVNNELLNHSVSINGPCSIKLLSVSNLQSPKLPATPTRSEFELDQPHSSNAQLNNCEFSEYSEERVHTPQTDSKSRTNMDSHKNIYSNGHLLLPCTSNELSTRSASFSHLDNYSVAHIPSPIECSSRLDILNSSVNDDNIDDRCRSANIPSYDCLQISDDRNSNSFDCLCRITSTQTDIHSSFNINDNPAIDSVYTYSENPNFKPSTDDTCQTLLACEIPNLLPSFIPINCALTNPMEEYLPTDVLHCLSASEHISSDFSQIDLTKPTDSLWCCNLLSSLDLNSLNKIIAPSYSSVISSNGEIIRLDPPTNNDISKSSMSSLVPCDFFRWNSIEKQLIYHSIPIVRTRTIRFILDPSIQINEYKTFNHSKIHIVHGTDIPLVSTRSFYHH
					

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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	25.7	Very low	29.7	Very low	244 Å²	244	160.3 Å²	160.3	100%	1.202	82%	0.823	S	S	*	*				0	141	0	-58.1	170.2	179.2	0	0	107.8
2	K	28.3	Very low	29.4	Very low	207 Å²	207	151.6 Å²	151.6	90%	0.9	79%	0.786	S	S	*	*			cis	-99.7	168.9	-9.6	-69.5	174	176.7	173.5	0	110.4
3	N	26.7	Very low	29.4	Very low	154 Å²	154	146.2 Å²	146.2	82%	0.824	77%	0.769	S	S	*	*			trans	-75.2	136.1	-173.7	-69.3	-23.7	0	0	0	113.4
4	N	31.7	Very low	29.5	Very low	160 Å²	160	143.1 Å²	143.1	86%	0.856	75%	0.754	S	S	*	*			trans	-143.7	91.6	161.3	-102.1	-29	0	0	0	108.9	S6	N4-S6 PolarHBondContact O-N 3.31Å
5	R	28.2	Very low	29.6	Very low	237 Å²	237	146 Å²	146	89%	0.894	76%	0.761	S	S	*	*			trans	-75.9	115.1	173.4	-71.1	-174.9	178.5	-174.1	-0.5	109.3
6	S	29.2	Very low	29.7	Very low	77 Å²	77	143.3 Å²	143.3	54%	0.538	75%	0.753	S	S	.	*	P	Polyproline II helix	trans	-90.3	144.5	159.5	52.6	0	0	0	0	109.3	N4	N4-S6 PolarHBondContact O-N 3.31Å
7	P	34.1	Very low	29.9	Very low	129 Å²	129	143.1 Å²	143.1	84%	0.838	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-63.6	152	-165	24.6	-35	0	0	0	114.1
8	E	30.6	Very low	29.7	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.9	-173.4	-68.9	148.9	165.1	0	0	112.2
9	C	30.5	Very low	29.7	Very low	116 Å²	116	142.1 Å²	142.1	78%	0.784	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71.4	127.8	169.1	-69.3	0	0	0	0	109
10	L	31.9	Very low	29.6	Very low	131 Å²	131	145.2 Å²	145.2	69%	0.686	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-64.7	145.3	176	-79.1	168.7	0	0	0	111.9
11	D	30.3	Very low	29.5	Very low	135 Å²	135	144.3 Å²	144.3	72%	0.722	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-66.8	151.5	-165.5	-152	-15.5	0	0	0	113.7	S13	D11-S13 PolarHBondContact O-N 2.91Å
12	C	26.3	Very low	29.8	Very low	56 Å²	56	141.5 Å²	141.5	38%	0.378	72%	0.72	S	S	.	*			trans	-100.7	58.3	-177.2	-83.2	0	0	0	0	112.1	A537	C12-A537 HydrophobicContact CB-CB 3.8Å
13	S	28.8	Very low	29.9	Very low	81 Å²	81	138 Å²	138	57%	0.566	72%	0.716	S	S	*	*			trans	-59.1	149.9	159.6	-44.5	0	0	0	0	110	D11 E15 V16	D11-S13 PolarHBondContact O-N 2.91Å; S13-E15 PolarHBondContact O-N 3.16Å; S13-V16 WeakPolarHBondContact O-CG2 3.38Å
14	D	30.4	Very low	29.9	Very low	104 Å²	104	136.8 Å²	136.8	56%	0.556	72%	0.715	S	S	*	*	S	Bend	trans	-76	12.1	-175	-87.4	-48.3	0	0	0	114.2
15	E	32.3	Very low	29.8	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	71%	0.712	S	S	*	*			trans	-121	73.7	-179.3	-63.9	-168.8	148	0	0	112.8	S13	S13-E15 PolarHBondContact O-N 3.16Å
16	V	29.9	Very low	29.8	Very low	103 Å²	103	131.7 Å²	131.7	62%	0.624	71%	0.708	S	S	*	*			trans	-125	70.5	-179.7	-168.8	0	0	0	0	111.9	S13	S13-V16 WeakPolarHBondContact O-CG2 3.38Å
17	W	32.9	Very low	29.7	Very low	140 Å²	140	134 Å²	134	53%	0.53	72%	0.723	S	S	.	*	S	Bend	trans	-142.7	-5.9	162.6	-85.7	127.5	0	0	0	116.6	V638 H687	W17-V638 PolarHBondContact NE1-O 3.09Å; W17-H687 AromaticContact CH2-CE1 3.42Å; W17-H687 VanDerWaalsContact CH2-CE1 3.42Å; W17-H687 WeakPolarHBondContact CH2-CE1 3.48Å; W17-H687 AromaticContact CH2-ND1 3.71Å; W17-H687 AromaticContact CZ3-CE1 3.37Å; W17-H687 WeakPolarHBondContact CZ3-CE1 3.24Å; W17-H687 AromaticContact CZ3-ND1 3.77Å
18	Q	28	Very low	29.5	Very low	163 Å²	163	132.3 Å²	132.3	76%	0.762	72%	0.715	S	S	*	*	S	Bend	trans	-79.6	152.3	166.4	-66.8	-161.8	1.4	0	0	111
19	P	28.2	Very low	29.4	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	71%	0.712	S	S	*	*			trans	-60.8	147.3	162.3	30.3	-34.7	0	0	0	109.1	N21	P19-N21 PolarHBondContact O-N 3.39Å; P19-N21 VanDerWaalsContact O-N 3.12Å
20	R	27.6	Very low	29.3	Very low	205 Å²	205	133.3 Å²	133.3	77%	0.774	71%	0.711	S	S	*	*			trans	-71.6	109.2	168.9	-125.2	-177.7	-171.2	-176.3	1.9	107.2	Q22	R20-Q22 PolarHBondContact O-N 2.88Å; R20-Q22 VanDerWaalsContact O-N 3.12Å
21	N	28.5	Very low	29	Very low	127 Å²	127	132 Å²	132	68%	0.679	71%	0.711	S	S	*	*			trans	-54	120.2	172.7	-69.3	-9.9	0	0	0	108.5	P19 T23	P19-N21 PolarHBondContact O-N 3.39Å; P19-N21 VanDerWaalsContact O-N 3.12Å; N21-T23 PolarHBondContact O-N 3.5Å
22	Q	31.8	Very low	29	Very low	184 Å²	184	132.1 Å²	132.1	86%	0.86	72%	0.716	S	S	*	*			trans	-66.4	118.6	156.7	-76.2	179.5	-31.5	0	0	105.6	R20 T24	R20-Q22 PolarHBondContact O-N 2.88Å; R20-Q22 VanDerWaalsContact O-N 3.12Å; Q22-T24 PolarHBondContact O-N 2.92Å; Q22-T24 VanDerWaalsContact O-N 3.08Å
23	T	29.3	Very low	29	Very low	135 Å²	135	134.4 Å²	134.4	83%	0.828	73%	0.728	S	S	*	*			trans	-61.1	112.5	175.2	44.6	0	0	0	0	108.5	N21 S25	N21-T23 PolarHBondContact O-N 3.5Å; T23-S25 PolarHBondContact O-N 3.5Å
24	T	28.1	Very low	29.1	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	74%	0.737	S	S	*	*			trans	-63.7	116.3	174.2	41.7	0	0	0	0	109.7	Q22	Q22-T24 PolarHBondContact O-N 2.92Å; Q22-T24 VanDerWaalsContact O-N 3.08Å
25	S	30	Very low	29	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	75%	0.747	S	S	*	*			trans	-108.7	111.8	150.1	57.7	0	0	0	0	105.6	T23	T23-S25 PolarHBondContact O-N 3.5Å
26	E	28.4	Very low	28.6	Very low	175 Å²	175	143.3 Å²	143.3	82%	0.818	75%	0.749	S	S	*	*			trans	-68.4	137.4	-169.8	-66.9	139.2	137	0	0	111.9
27	C	27.1	Very low	28.6	Very low	126 Å²	126	143.8 Å²	143.8	85%	0.851	75%	0.753	S	S	*	*			trans	-130.2	125.5	140.4	-76.5	0	0	0	0	106.5
28	S	29.1	Very low	28.2	Very low	94 Å²	94	146.1 Å²	146.1	66%	0.657	77%	0.769	S	S	*	*			trans	-47.7	156.2	149.7	15.1	0	0	0	0	110.3
29	E	28.7	Very low	28.3	Very low	160 Å²	160	145.1 Å²	145.1	75%	0.748	77%	0.774	S	S	*	*			cis	-161.9	177.6	16.9	-134.9	150.3	-113.1	0	0	112.8
30	L	28.2	Very low	28.4	Very low	149 Å²	149	146.1 Å²	146.1	78%	0.78	78%	0.778	S	S	*	*			trans	70.4	148.3	159.2	-65.8	162.3	0	0	0	119
31	P	25.7	Very low	28.5	Very low	103 Å²	103	141.7 Å²	141.7	67%	0.669	77%	0.77	S	S	*	*			trans	-96.2	120.1	-168.3	35.2	-32.9	0	0	0	113.9	T33	P31-T33 VanDerWaalsContact C-N 3.32Å; P31-T33 PolarHBondContact O-N 3.46Å
32	V	30.5	Very low	28.5	Very low	138 Å²	138	146 Å²	146	84%	0.836	78%	0.776	S	S	*	*			trans	-75.7	84.6	170.2	-174.1	0	0	0	0	110.6	T34	V32-T34 PolarHBondContact O-N 3.49Å
33	T	26.3	Very low	28.5	Very low	104 Å²	104	143.2 Å²	143.2	64%	0.638	77%	0.773	S	S	*	*			trans	-79.1	101.9	161.6	44.9	0	0	0	0	109.8	P31 R35	P31-T33 VanDerWaalsContact C-N 3.32Å; P31-T33 PolarHBondContact O-N 3.46Å; T33-R35 PolarHBondContact O-N 2.9Å
34	T	30.2	Very low	28.6	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	77%	0.767	S	S	*	*			trans	-76.1	69.9	169.3	-35.1	0	0	0	0	110.2	V32 Y36	V32-T34 PolarHBondContact O-N 3.49Å; T34-Y36 PolarHBondContact O-N 2.94Å
35	R	27.7	Very low	28.9	Very low	200 Å²	200	140.2 Å²	140.2	76%	0.755	76%	0.762	S	S	*	*			trans	-65.1	126.7	166.7	-77	-177.6	173.8	175.1	-1	108.6	T33 T37	T33-R35 PolarHBondContact O-N 2.9Å; R35-T37 PolarHBondContact O-N 3.23Å
36	Y	24.2	Very low	29	Very low	236 Å²	236	142.7 Å²	142.7	93%	0.925	77%	0.766	S	S	*	*			trans	-75.5	102.2	156.5	-92.3	-95.5	0	0	0	107.8	T34	T34-Y36 PolarHBondContact O-N 2.94Å
37	T	29.7	Very low	29.2	Very low	113 Å²	113	139.2 Å²	139.2	69%	0.693	76%	0.758	S	S	*	*			trans	-141.3	122.9	168.5	40.6	0	0	0	0	108.6	R35	R35-T37 PolarHBondContact O-N 3.23Å
38	E	24.9	Very low	29.2	Very low	189 Å²	189	140.6 Å²	140.6	88%	0.883	76%	0.756	S	S	*	*			trans	-68.9	171.5	168	-57.8	171.4	120.7	0	0	110.5
39	V	29.5	Very low	29.4	Very low	142 Å²	142	141 Å²	141	86%	0.861	76%	0.757	S	S	*	*			trans	119.4	124.8	-174.6	166.5	0	0	0	0	109.7
40	V	31.7	Very low	29.3	Very low	125 Å²	125	138 Å²	138	76%	0.758	75%	0.754	S	S	*	*			cis	-149.9	169.1	0.9	104.6	0	0	0	0	114.7
41	N	28.4	Very low	29.3	Very low	111 Å²	111	139 Å²	139	59%	0.594	76%	0.759	S	S	*	*			trans	-45.8	149	173.2	-91.2	-77.5	0	0	0	119.1
42	R	28.2	Very low	29.6	Very low	217 Å²	217	137.6 Å²	137.6	82%	0.819	76%	0.764	S	S	*	*			trans	64.7	137.7	143.3	-59.1	161.2	-163.5	-169	-1.7	116.4
43	T	31.8	Very low	29.4	Very low	127 Å²	127	138.7 Å²	138.7	78%	0.779	76%	0.764	S	S	*	*			cis	-149.5	171	45.9	43.9	0	0	0	0	114.7
44	S	32.8	Very low	29.7	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	78%	0.776	S	S	*	*			trans	5.3	146	153.9	56.9	0	0	0	0	121.8
45	S	34.2	Very low	29.5	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	78%	0.78	S	S	*	*			cis	-179.7	154.1	-5.8	49.8	0	0	0	0	112.4
46	L	30.7	Very low	29.7	Very low	166 Å²	166	137.3 Å²	137.3	87%	0.869	78%	0.776	S	S	*	*			trans	70.9	158.1	159.2	-66.7	164.4	0	0	0	118.5
47	P	32.9	Very low	30.1	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	78%	0.775	S	S	*	*			trans	-137.6	-162.9	-151.9	37.5	-14.2	0	0	0	115.8
48	L	27.7	Very low	30	Very low	156 Å²	156	137.9 Å²	137.9	82%	0.817	79%	0.785	S	S	*	*			trans	83.7	168.6	165.4	-59	152.5	0	0	0	115.2
49	P	32.5	Very low	30.4	Very low	103 Å²	103	134.5 Å²	134.5	67%	0.669	78%	0.782	S	S	*	*				-142	-174.5	-83.3	42	-22.2	0	0	0	116.1
50	S	27.2	Very low	30.5	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	78%	0.777	S	S	*	*			trans	60.7	114.5	146	-61.1	0	0	0	0	122.8
51	N	28.6	Very low	30.2	Very low	169 Å²	169	134 Å²	134	90%	0.904	78%	0.778	S	S	*	*			trans	70.6	153.4	141.2	-59.7	-15.9	0	0	0	121
52	G	30.9	Very low	30.4	Very low	74 Å²	74	134.7 Å²	134.7	76%	0.763	79%	0.788	S	S	*	*			trans	96	103.7	-177.1	0	0	0	0	0	111.4
53	L	27.5	Very low	30.3	Very low	161 Å²	161	129.5 Å²	129.5	84%	0.843	78%	0.781	S	S	*	*			cis	62.1	100.5	47.8	-165.6	83.2	0	0	0	113.8
54	L	31.3	Very low	30.4	Very low	170 Å²	170	130.1 Å²	130.1	89%	0.89	78%	0.784	S	S	*	*			trans	-165.4	177.8	131.2	-106.5	169.7	0	0	0	111
55	I	26.2	Very low	30.2	Very low	160 Å²	160	132.6 Å²	132.6	82%	0.821	78%	0.784	S	S	*	*			trans	-130.9	147.4	-163.4	-61.4	169.7	0	0	0	110.7
56	G	32.8	Very low	30.2	Very low	66 Å²	66	135.7 Å²	135.7	68%	0.68	79%	0.793	S	S	*	*			trans	149.2	152.2	163.1	0	0	0	0	0	112.1
57	E	32	Very low	30.3	Very low	192 Å²	192	134.1 Å²	134.1	90%	0.897	79%	0.786	S	S	*	*			cis	-161	170.7	-29.4	-131.5	170.4	-170.3	0	0	107.5
58	D	27.2	Very low	30.3	Very low	169 Å²	169	136.4 Å²	136.4	90%	0.904	80%	0.797	S	S	*	*			trans	-76.5	148.2	-171.2	-74.1	-59.6	0	0	0	114.4
59	S	34.5	Very low	30.4	Very low	119 Å²	119	133.4 Å²	133.4	83%	0.832	79%	0.79	S	S	*	*			trans	-146.6	155.2	160.6	65.6	0	0	0	0	110.1
60	S	31.6	Very low	30.4	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	79%	0.793	S	S	*	*			trans	-149.9	153.8	-155.6	62.6	0	0	0	0	116.3
61	L	25.8	Very low	30.7	Very low	150 Å²	150	138 Å²	138	79%	0.785	80%	0.799	S	S	*	*			trans	69	165.7	161.9	-71.3	174.9	0	0	0	115.2	V63	L61-V63 HydrophobicContact CD2-CG2 4.44Å
62	P	31.1	Very low	30.8	Very low	125 Å²	125	137.9 Å²	137.9	81%	0.812	79%	0.794	S	S	*	*			cis	-120.1	-173.1	17.5	42.9	-29	0	0	0	117
63	V	26.9	Very low	31.2	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.655	79%	0.794	S	S	*	*			trans	-103.3	148.5	-179.8	172.9	0	0	0	0	109.8	L61 E65	L61-V63 HydrophobicContact CD2-CG2 4.44Å; V63-E65 HydrophobicContact CG1-CG 4.07Å
64	V	34.3	Very low	31.8	Very low	140 Å²	140	144 Å²	144	85%	0.848	79%	0.793	S	S	*	*			trans	-120.7	129.1	156.7	179.4	0	0	0	0	107.1
65	E	29	Very low	32.5	Very low	153 Å²	153	140.3 Å²	140.3	72%	0.715	78%	0.778	S	S	*	*			trans	-97	144.8	173.4	-62.9	-172.8	140.9	0	0	109.7	V63	V63-E65 HydrophobicContact CG1-CG 4.07Å
66	D	33.8	Very low	33.6	Very low	165 Å²	165	137.2 Å²	137.2	88%	0.882	77%	0.767	S	S	*	*			trans	-139.5	137.1	162	-123.9	-34	0	0	0	109.6
67	N	32.2	Very low	34.7	Very low	133 Å²	133	138.6 Å²	138.6	71%	0.711	76%	0.758	S	S	*	*			trans	-109.8	114.4	-156.8	-80.4	-77.9	0	0	0	113.4
68	V	33.6	Very low	35.7	Very low	148 Å²	148	134.2 Å²	134.2	90%	0.897	74%	0.741	S	S	*	*			trans	-133.7	114.1	156.8	-175.1	0	0	0	0	109.5
69	S	28.9	Very low	37.3	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	72%	0.724	S	S	*	*			trans	-89.8	144.7	-179.5	56.2	0	0	0	0	112.6
70	I	32	Very low	38.8	Very low	145 Å²	145	130.3 Å²	130.3	74%	0.744	71%	0.707	S	S	*	*			trans	-177.6	145.6	141.1	-96.9	151.6	0	0	0	109.1
71	N	34.2	Very low	40.2	Very low	151 Å²	151	132.3 Å²	132.3	81%	0.807	70%	0.698	S	S	*	*			trans	58.8	56.8	172.1	-63.3	-22.4	0	0	0	117.4
72	Q	32	Very low	42.1	Very low	167 Å²	167	127.2 Å²	127.2	78%	0.78	68%	0.678	S	S	*	*			trans	-79.1	122.9	161.2	-62.7	177.6	-0.2	0	0	110.2
73	D	38.9	Very low	44	Very low	146 Å²	146	126.4 Å²	126.4	78%	0.781	66%	0.661	S	S	*	*	S	Bend	trans	179.4	-28.9	154.3	-114.7	-10.2	0	0	0	113.4
74	R	38.9	Very low	46.2	Very low	218 Å²	218	125.7 Å²	125.7	82%	0.823	65%	0.654	S	S	*	*	S	Bend	trans	-102.4	-1.4	-177.1	-69.5	-176.1	175.3	176.9	0.1	115.2	N78	R74-N78 PolarHBondContact O-ND2 2.96Å
75	T	47	Very low	48	Very low	92 Å²	92	123.5 Å²	123.5	56%	0.564	64%	0.641	S	S	*	*	S	Bend	trans	-90.9	-37	-174.8	46.3	0	0	0	0	113	N78 L79	T75-N78 PolarHBondContact O-N 3.42Å; T75-L79 PolarHBondContact O-N 3.41Å; T75-L79 VanDerWaalsContact O-N 3.09Å
76	T	48.4	Very low	50	Low	95 Å²	95	125 Å²	125	58%	0.583	64%	0.64	S	S	*	*	H	α-helix	trans	-59.9	-49.7	-177.9	48.2	0	0	0	0	112.8	N78 L79 Q80	T76-N78 VanDerWaalsContact C-N 3.33Å; T76-N78 PolarHBondContact O-N 2.97Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.47Å; T76-L79 VanDerWaalsContact O-N 3.16Å; T76-Q80 WeakPolarHBondContact O-CB 3.49Å; T76-Q80 PolarHBondContact O-N 3.48Å
77	D	56.5	Low	51.8	Low	95 Å²	95	123.5 Å²	123.5	51%	0.508	63%	0.627	S	S	.	*	H	α-helix	trans	-65.3	-36.3	-175.6	-157.3	54.1	0	0	0	112.3	R81	D77-R81 VanDerWaalsContact O-CB 3.31Å; D77-R81 WeakPolarHBondContact O-CB 3.44Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.66Å; D77-R81 IonicContact OD2-NH2 2.67Å; D77-R81 PolarHBondContact OD2-NH2 3.31Å
78	N	53	Low	53.7	Low	99 Å²	99	120.8 Å²	120.8	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-40.5	173.7	-74.7	-59.2	0	0	0	112	R74 T75 T76 R81 A82	R74-N78 PolarHBondContact O-ND2 2.96Å; T75-N78 PolarHBondContact O-N 3.42Å; T76-N78 VanDerWaalsContact C-N 3.33Å; T76-N78 PolarHBondContact O-N 2.97Å; N78-R81 PolarHBondContact O-N 2.98Å; N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.19Å
79	L	59.7	Low	55.2	Low	104 Å²	104	119 Å²	119	55%	0.545	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-41.1	175.6	-168.8	70.2	0	0	0	111.6	T75 T76 A82 K83	T75-L79 PolarHBondContact O-N 3.41Å; T75-L79 VanDerWaalsContact O-N 3.09Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.47Å; T76-L79 VanDerWaalsContact O-N 3.16Å; L79-A82 PolarHBondContact O-N 2.95Å; L79-K83 WeakPolarHBondContact O-CG 3.31Å; L79-K83 PolarHBondContact O-N 3.02Å
80	Q	67.6	Low	57.1	Low	102 Å²	102	123.5 Å²	123.5	48%	0.477	61%	0.606	S	S	.	*	H	α-helix	trans	-65.2	-41.8	176.4	-158.9	75.7	-32.7	0	0	111.3	T76 A82 K83 N84	T76-Q80 WeakPolarHBondContact O-CB 3.49Å; T76-Q80 PolarHBondContact O-N 3.48Å; Q80-A82 VanDerWaalsContact C-N 3.35Å; Q80-A82 PolarHBondContact O-N 3.18Å; Q80-K83 PolarHBondContact O-N 2.89Å; Q80-N84 VanDerWaalsContact O-CG 3.26Å; Q80-N84 PolarHBondContact O-N 2.98Å
81	R	61.2	Low	59	Low	149 Å²	149	120 Å²	120	56%	0.562	60%	0.595	S	S	*	*	H	α-helix	trans	-61.6	-41.2	173.7	-161.6	172.7	-59.9	178.9	5.7	111.8	D77 N78 N84 V85	D77-R81 VanDerWaalsContact O-CB 3.31Å; D77-R81 WeakPolarHBondContact O-CB 3.44Å; D77-R81 PolarHBondContact O-N 3.4Å; D77-R81 IonicContact OD2-CZ 2.66Å; D77-R81 IonicContact OD2-NH2 2.67Å; D77-R81 PolarHBondContact OD2-NH2 3.31Å; N78-R81 PolarHBondContact O-N 2.98Å; R81-N84 PolarHBondContact O-N 3.04Å; R81-V85 WeakPolarHBondContact O-CG2 3.45Å; R81-V85 PolarHBondContact O-N 2.9Å
82	A	64.7	Low	60.6	Low	42 Å²	42	119.5 Å²	119.5	35%	0.347	59%	0.586	S	S	.	*	H	α-helix	trans	-66.5	-40.7	175	0	0	0	0	0	113	N78 L79 Q80 V85 R86	N78-A82 WeakPolarHBondContact O-CB 3.48Å; N78-A82 PolarHBondContact O-N 3.19Å; L79-A82 PolarHBondContact O-N 2.95Å; Q80-A82 VanDerWaalsContact C-N 3.35Å; Q80-A82 PolarHBondContact O-N 3.18Å; A82-V85 PolarHBondContact O-N 2.88Å; A82-R86 WeakPolarHBondContact O-CG 3.39Å; A82-R86 PolarHBondContact O-N 3.49Å
83	K	71.5	Confident	62.3	Low	108 Å²	108	116.2 Å²	116.2	47%	0.47	57%	0.573	S	S	.	*	H	α-helix	trans	-58.4	-47.1	172.4	-74.7	173.2	-179.9	178	0	111.2	L79 Q80 V85 R86 Q87	L79-K83 WeakPolarHBondContact O-CG 3.31Å; L79-K83 PolarHBondContact O-N 3.02Å; Q80-K83 PolarHBondContact O-N 2.89Å; K83-V85 PolarHBondContact O-N 3.36Å; K83-R86 PolarHBondContact O-N 3.49Å; K83-Q87 PolarHBondContact O-N 3.27Å
84	N	73.3	Confident	63.5	Low	93 Å²	93	118.6 Å²	118.6	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-63.5	-40.9	179	-68.9	-9.5	0	0	0	112.5	Q80 R81 Q87 S88	Q80-N84 VanDerWaalsContact O-CG 3.26Å; Q80-N84 PolarHBondContact O-N 2.98Å; R81-N84 PolarHBondContact O-N 3.04Å; N84-Q87 PolarHBondContact O-N 2.87Å; N84-S88 WeakPolarHBondContact O-CB 3.48Å; N84-S88 PolarHBondContact O-N 2.96Å
85	V	72.2	Confident	64.7	Low	95 Å²	95	115.5 Å²	115.5	58%	0.576	56%	0.564	S	S	*	*	H	α-helix	trans	-63.3	-44.3	173.5	170.7	0	0	0	0	111.2	R81 A82 K83 Q87 S88 L89	R81-V85 WeakPolarHBondContact O-CG2 3.45Å; R81-V85 PolarHBondContact O-N 2.9Å; A82-V85 PolarHBondContact O-N 2.88Å; K83-V85 PolarHBondContact O-N 3.36Å; V85-Q87 PolarHBondContact O-N 3.32Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-L89 WeakPolarHBondContact O-CB 3.46Å; V85-L89 PolarHBondContact O-N 3.13Å
86	R	70.4	Confident	65	Low	183 Å²	183	113.5 Å²	113.5	69%	0.691	56%	0.556	S	S	*	*	H	α-helix	trans	-63.3	-40.1	176.9	-76.2	176.7	172.5	168.6	-2.2	112.7	A82 K83 L89 R90	A82-R86 WeakPolarHBondContact O-CG 3.39Å; A82-R86 PolarHBondContact O-N 3.49Å; K83-R86 PolarHBondContact O-N 3.49Å; R86-L89 PolarHBondContact O-N 3.46Å; R86-R90 WeakPolarHBondContact O-CB 3.15Å; R86-R90 WeakPolarHBondContact O-CG 3.42Å; R86-R90 PolarHBondContact O-N 2.9Å
87	Q	71.3	Confident	65.3	Low	134 Å²	134	112.5 Å²	112.5	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-65.4	-43.4	174.3	-76.2	-175.6	-12.2	0	0	112.1	K83 N84 V85 R90 S91	K83-Q87 PolarHBondContact O-N 3.27Å; N84-Q87 PolarHBondContact O-N 2.87Å; V85-Q87 PolarHBondContact O-N 3.32Å; Q87-R90 PolarHBondContact O-N 2.97Å; Q87-S91 PolarHBondContact O-N 2.89Å; Q87-S91 PolarHBondContact O-OG 3.08Å
88	S	71.4	Confident	65.1	Low	77 Å²	77	112.5 Å²	112.5	54%	0.538	56%	0.558	S	S	.	*	H	α-helix	trans	-64.1	-38.9	176.6	-164.9	0	0	0	0	112.1	N84 V85 S91 F92	N84-S88 WeakPolarHBondContact O-CB 3.48Å; N84-S88 PolarHBondContact O-N 2.96Å; V85-S88 PolarHBondContact O-N 3.43Å; S88-S91 PolarHBondContact O-N 3.23Å; S88-S91 PolarHBondContact O-OG 2.84Å; S88-S91 VanDerWaalsContact O-OG 3.04Å; S88-F92 WeakPolarHBondContact O-CB 3.38Å; S88-F92 PolarHBondContact O-N 3.09Å
89	L	66.6	Low	65	Low	109 Å²	109	111.3 Å²	111.3	57%	0.571	55%	0.551	S	S	*	*	H	α-helix	trans	-65.6	-43.2	173.3	-158.6	79.5	0	0	0	111.5	V85 R86 S91 F92 L93	V85-L89 WeakPolarHBondContact O-CB 3.46Å; V85-L89 PolarHBondContact O-N 3.13Å; R86-L89 PolarHBondContact O-N 3.46Å; L89-S91 PolarHBondContact O-N 2.99Å; L89-F92 PolarHBondContact O-N 3.3Å; L89-L93 HydrophobicContact CD2-CD1 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.23Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.26Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.85Å
90	R	68.8	Low	64.4	Low	189 Å²	189	111.1 Å²	111.1	71%	0.713	55%	0.546	S	S	*	.	H	α-helix	trans	-62.7	-39.1	175.8	-79.3	179.7	172.8	-174.4	-2.8	112.6	R86 Q87 R94	R86-R90 WeakPolarHBondContact O-CB 3.15Å; R86-R90 WeakPolarHBondContact O-CG 3.42Å; R86-R90 PolarHBondContact O-N 2.9Å; Q87-R90 PolarHBondContact O-N 2.97Å; R90-R94 WeakPolarHBondContact O-CB 3.43Å; R90-R94 WeakPolarHBondContact O-CG 3.19Å; R90-R94 PolarHBondContact O-N 3.39Å
91	S	71.5	Confident	63.2	Low	73 Å²	73	113 Å²	113	51%	0.51	56%	0.559	S	S	.	*	H	α-helix	trans	-72.1	-36.6	176.7	70	0	0	0	0	112.2	Q87 S88 L89 K95	Q87-S91 PolarHBondContact O-N 2.89Å; Q87-S91 PolarHBondContact O-OG 3.08Å; S88-S91 PolarHBondContact O-N 3.23Å; S88-S91 PolarHBondContact O-OG 2.84Å; S88-S91 VanDerWaalsContact O-OG 3.04Å; L89-S91 PolarHBondContact O-N 2.99Å; S91-K95 WeakPolarHBondContact O-CB 3.43Å; S91-K95 PolarHBondContact O-N 3.49Å
92	F	68.4	Low	62.6	Low	139 Å²	139	109.5 Å²	109.5	61%	0.61	56%	0.557	S	S	*	*	H	α-helix	trans	-64.6	-43.6	172.4	-160.9	-88.7	0	0	0	111.8	S88 L89 K95 A96	S88-F92 WeakPolarHBondContact O-CB 3.38Å; S88-F92 PolarHBondContact O-N 3.09Å; L89-F92 PolarHBondContact O-N 3.3Å; F92-K95 PolarHBondContact O-N 3.05Å; F92-A96 WeakPolarHBondContact O-CB 3.26Å; F92-A96 PolarHBondContact O-N 3.1Å
93	L	66.8	Low	61.8	Low	98 Å²	98	114.6 Å²	114.6	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-45.5	175	-73.3	168.9	0	0	0	112	L89 K95 A96 T97	L89-L93 HydrophobicContact CD2-CD1 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.23Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.26Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.85Å; L93-K95 PolarHBondContact O-N 2.8Å; L93-A96 CarbonylContact O-C 3.57Å; L93-A96 PolarHBondContact O-N 3.3Å; L93-A96 VanDerWaalsContact O-N 3.09Å; L93-T97 PolarHBondContact O-N 3.42Å; L93-T97 PolarHBondContact O-OG1 2.97Å
94	R	64.5	Low	60.8	Low	196 Å²	196	114 Å²	114	74%	0.74	58%	0.577	S	S	*	*	H	α-helix	trans	-57	-37.1	172.5	-79.4	-177.7	178	-177.6	-1.2	112.1	R90 T97 S98	R90-R94 WeakPolarHBondContact O-CB 3.43Å; R90-R94 WeakPolarHBondContact O-CG 3.19Å; R90-R94 PolarHBondContact O-N 3.39Å; R94-T97 WeakPolarHBondContact CA-OG1 3.19Å; R94-T97 PolarHBondContact O-OG1 2.83Å; R94-S98 WeakPolarHBondContact O-CB 3.49Å; R94-S98 PolarHBondContact O-N 3.43Å
95	K	64.6	Low	60.1	Low	154 Å²	154	116.6 Å²	116.6	67%	0.67	59%	0.591	S	S	*	*	H	α-helix	trans	-74.6	-30.4	177.1	-158.9	160.8	-170.7	165.2	0	112.8	S91 F92 L93 L99	S91-K95 WeakPolarHBondContact O-CB 3.43Å; S91-K95 PolarHBondContact O-N 3.49Å; F92-K95 PolarHBondContact O-N 3.05Å; L93-K95 PolarHBondContact O-N 2.8Å; K95-L99 WeakPolarHBondContact O-CD1 3.42Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å
96	A	52.9	Low	60.3	Low	49 Å²	49	114.3 Å²	114.3	41%	0.405	58%	0.575	S	S	.	*	H	α-helix	trans	-75.2	-31	172.6	0	0	0	0	0	113	F92 L93	F92-A96 WeakPolarHBondContact O-CB 3.26Å; F92-A96 PolarHBondContact O-N 3.1Å; L93-A96 CarbonylContact O-C 3.57Å; L93-A96 PolarHBondContact O-N 3.3Å; L93-A96 VanDerWaalsContact O-N 3.09Å
97	T	54.8	Low	61	Low	74 Å²	74	109.9 Å²	109.9	45%	0.454	57%	0.565	S	S	.	*	H	α-helix	trans	-81.6	-39.5	174	55.4	0	0	0	0	112.5	L93 R94 L99 K100	L93-T97 PolarHBondContact O-N 3.42Å; L93-T97 PolarHBondContact O-OG1 2.97Å; R94-T97 WeakPolarHBondContact CA-OG1 3.19Å; R94-T97 PolarHBondContact O-OG1 2.83Å; T97-L99 PolarHBondContact O-N 3.49Å; T97-L99 VanDerWaalsContact O-N 3.13Å; T97-K100 WeakPolarHBondContact O-CB 3.36Å; T97-K100 WeakPolarHBondContact O-CG 3.06Å; T97-K100 PolarHBondContact O-N 3.25Å
98	S	52.4	Low	61.9	Low	96 Å²	96	104.6 Å²	104.6	67%	0.671	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.1	176.2	178.1	0	0	0	0	114.1	R94	R94-S98 WeakPolarHBondContact O-CB 3.49Å; R94-S98 PolarHBondContact O-N 3.43Å
99	L	51.2	Low	62.8	Low	73 Å²	73	104.4 Å²	104.4	38%	0.382	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.9	173.4	-71.9	171.9	0	0	0	113.4	K95 T97 D101	K95-L99 WeakPolarHBondContact O-CD1 3.42Å; K95-L99 WeakPolarHBondContact O-CG 3.34Å; T97-L99 PolarHBondContact O-N 3.49Å; T97-L99 VanDerWaalsContact O-N 3.13Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 2.84Å
100	K	45.5	Very low	64.1	Low	101 Å²	101	99.2 Å²	99.2	44%	0.439	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.7	-178.4	-80.4	-172.4	171	-175.7	0	114.5	T97 R103	T97-K100 WeakPolarHBondContact O-CB 3.36Å; T97-K100 WeakPolarHBondContact O-CG 3.06Å; T97-K100 PolarHBondContact O-N 3.25Å; K100-R103 WeakPolarHBondContact O-CD 3.41Å; K100-R103 WeakPolarHBondContact O-CG 3.49Å; K100-R103 PolarHBondContact O-NE 3.38Å; K100-R103 PolarHBondContact O-NH1 2.74Å
101	D	43.8	Very low	65.3	Low	142 Å²	142	91.2 Å²	91.2	76%	0.759	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	6.1	-167.1	-52.9	-37.5	0	0	0	114.3	L99	L99-D101 VanDerWaalsContact C-N 3.3Å; L99-D101 PolarHBondContact O-N 2.84Å
102	S	48	Very low	66.4	Low	74 Å²	74	87.7 Å²	87.7	52%	0.517	45%	0.453	S	S	.	.	S	Bend	trans	-120.4	47	174.7	67	0	0	0	0	111.8	S104	S102-S104 PolarHBondContact O-N 3.28Å
103	R	48	Very low	67.6	Low	149 Å²	149	82.8 Å²	82.8	56%	0.562	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.8	-141.7	-128.3	-174.4	-166.5	141.2	-29	118.4	K100	K100-R103 WeakPolarHBondContact O-CD 3.41Å; K100-R103 WeakPolarHBondContact O-CG 3.49Å; K100-R103 PolarHBondContact O-NE 3.38Å; K100-R103 PolarHBondContact O-NH1 2.74Å
104	S	50.8	Low	68.6	Low	95 Å²	95	78.4 Å²	78.4	66%	0.664	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-41.4	-177.9	50.5	0	0	0	0	113.8	S102 L106	S102-S104 PolarHBondContact O-N 3.28Å; S104-L106 PolarHBondContact O-N 3.33Å
105	N	58	Low	69.9	Low	149 Å²	149	70.3 Å²	70.3	80%	0.797	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	19	-169	-71.6	-18.1	0	0	0	115
106	L	77.3	Confident	71	Confident	46 Å²	46	64.6 Å²	64.6	24%	0.241	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	20.3	-175.9	-67.6	178.6	0	0	0	114.2	S104 K126	S104-L106 PolarHBondContact O-N 3.33Å; L106-K126 VanDerWaalsContact O-CB 3.24Å; L106-K126 WeakPolarHBondContact O-CB 3.4Å; L106-K126 PolarHBondContact O-N 3.06Å
107	N	85.1	Confident	72.6	Confident	90 Å²	90	63.4 Å²	63.4	48%	0.481	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	155.1	178.7	-65.4	-21.4	0	0	0	112.6	L124	N107-L124 CarbonylContact C-O 3.54Å; N107-L124 WeakPolarHBondContact CA-O 3.49Å; N107-L124 WeakPolarHBondContact CB-O 3.24Å
108	I	89.1	Confident	74.2	Confident	24 Å²	24	66 Å²	66	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.1	173.9	55.3	174.8	0	0	0	109.4	L124 K126 I235 T236 M244	I108-L124 HydrophobicContact CG1-CB 4.07Å; I108-L124 WeakPolarHBondContact CG1-O 3.45Å; I108-L124 PolarHBondContact N-O 2.86Å; I108-L124 PolarHBondContact O-N 2.98Å; I108-K126 HydrophobicContact CG2-CB 4.37Å; I108-K126 HydrophobicContact CG2-CG 4.47Å; I108-I235 HydrophobicContact CD1-CB 4.24Å; I108-I235 HydrophobicContact CD1-CD1 4.41Å; I108-I235 HydrophobicContact CD1-CG2 4.44Å; I108-T236 HydrophobicContact CD1-CG2 4.34Å; I108-T236 HydrophobicContact CG2-CG2 4.47Å; I108-M244 HydrophobicContact CD1-SD 4.19Å
109	E	90.8	Very high	76.1	Confident	72 Å²	72	64.9 Å²	64.9	34%	0.336	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113	172.3	-173.2	-174.4	-158.8	0	0	109.1	R121	E109-R121 WeakPolarHBondContact OE1-CD 3.49Å; E109-R121 IonicContact OE1-NH1 3.36Å; E109-R121 PolarHBondContact OE1-NH1 2.92Å
110	C	93.1	Very high	78.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.3	174.9	-69	0	0	0	0	109.4	R121 F122 L133 F246	C110-R121 WeakPolarHBondContact O-CA 3.16Å; C110-F122 PolarHBondContact N-O 2.9Å; C110-F122 PolarHBondContact O-N 2.78Å; C110-L133 HydrophobicContact CB-CD1 3.73Å; C110-L133 HydrophobicContact CB-CD2 3.93Å; C110-F246 HydrophobicContact CB-CD2 4.35Å; C110-F246 HydrophobicContact CB-CE2 4Å
111	S	93.9	Very high	80.5	Confident	21 Å²	21	67 Å²	67	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.4	171.7	-65.5	0	0	0	0	110	F120 M244 I245 F246	S111-F120 CarbonylContact C-O 3.44Å; S111-F120 WeakPolarHBondContact CA-O 3.41Å; S111-M244 PolarHBondContact N-O 3.22Å; S111-I245 WeakPolarHBondContact O-CA 3.27Å; S111-F246 PolarHBondContact O-N 2.72Å
112	V	94.7	Very high	82.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.3	-179.3	-174	0	0	0	0	109.6	C119 F120 F122 L133 V137 L151 F246 F248	V112-C119 WeakPolarHBondContact O-CA 3.48Å; V112-F120 HydrophobicContact CB-CB 4.48Å; V112-F120 PolarHBondContact N-O 3.16Å; V112-F120 PolarHBondContact O-N 3.43Å; V112-F122 HydrophobicContact CB-CE2 4.29Å; V112-F122 HydrophobicContact CG2-CD2 3.98Å; V112-F122 HydrophobicContact CG2-CE2 3.93Å; V112-L133 HydrophobicContact CG2-CD1 3.94Å; V112-L133 HydrophobicContact CG2-CD2 4.35Å; V112-L133 HydrophobicContact CG2-CG 4.31Å; V112-V137 HydrophobicContact CB-CG2 4.11Å; V112-V137 HydrophobicContact CG1-CG1 4.32Å; V112-V137 HydrophobicContact CG1-CG2 3.89Å; V112-V137 HydrophobicContact CG2-CG2 3.83Å; V112-L151 HydrophobicContact CG1-CD2 3.59Å; V112-F246 CarbonylContact C-O 3.58Å; V112-F246 WeakPolarHBondContact CA-O 3.23Å; V112-F246 HydrophobicContact CG1-CB 4.5Å; V112-F246 HydrophobicContact CG2-CB 4.24Å; V112-F246 HydrophobicContact CG2-CD2 4.43Å; V112-F248 HydrophobicContact CG1-CB 4.24Å
113	I	93.4	Very high	85	Confident	35 Å²	35	63.8 Å²	63.8	18%	0.179	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.3	177.5	-61.5	169	0	0	0	108.8	K118 F203 I245 F246 Y247 F248	I113-K118 WeakPolarHBondContact CA-O 3.26Å; I113-F203 HydrophobicContact CD1-CE2 4.41Å; I113-I245 HydrophobicContact CD1-CG2 4.04Å; I113-F246 PolarHBondContact N-O 3.43Å; I113-Y247 HydrophobicContact CB-CD1 4.05Å; I113-Y247 HydrophobicContact CB-CE1 4.33Å; I113-Y247 HydrophobicContact CD1-CD1 4.21Å; I113-Y247 HydrophobicContact CD1-CE1 3.62Å; I113-Y247 HydrophobicContact CG2-CD1 4.34Å; I113-F248 PolarHBondContact O-N 3.49Å
114	G	89.7	Confident	87.1	Confident	6 Å²	6	57.4 Å²	57.4	6%	0.062	30%	0.302	C	S	.	.			trans	-76.6	171.9	176.4	0	0	0	0	0	113.9	D116 G117 K118	G114-D116 VanDerWaalsContact C-N 3.29Å; G114-D116 PolarHBondContact O-N 3.3Å; G114-G117 VanDerWaalsContact O-CA 3.32Å; G114-G117 WeakPolarHBondContact O-CA 3.32Å; G114-G117 PolarHBondContact O-N 3.18Å; G114-K118 PolarHBondContact N-O 3.33Å
115	L	91.9	Very high	89	Confident	26 Å²	26	55.4 Å²	55.4	14%	0.136	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.2	178.9	-65.6	165.4	0	0	0	113.6	G117 F248 Q269 L272 Q273	L115-G117 VanDerWaalsContact C-N 3.27Å; L115-F248 HydrophobicContact CD1-CD1 3.91Å; L115-F248 HydrophobicContact CD1-CE1 3.96Å; L115-F248 VanDerWaalsContact CD2-O 3.3Å; L115-F248 WeakPolarHBondContact CD2-O 3.4Å; L115-F248 HydrophobicContact CG-CD1 4.03Å; L115-F248 WeakPolarHBondContact CG-O 3.32Å; L115-Q269 HydrophobicContact CD1-CB 4.49Å; L115-Q269 WeakPolarHBondContact CD1-O 3.4Å; L115-L272 HydrophobicContact CB-CB 3.84Å; L115-L272 HydrophobicContact CB-CD1 4.25Å; L115-Q273 HydrophobicContact CD1-CB 4.05Å; L115-Q273 HydrophobicContact CD2-CB 4.33Å; L115-Q273 VanDerWaalsContact CD2-OE1 3.29Å
116	D	87.5	Confident	90.5	Very high	35 Å²	35	53.4 Å²	53.4	19%	0.187	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.1	162.7	62.7	-2.5	0	0	0	112.4	G114 K118 L272	G114-D116 VanDerWaalsContact C-N 3.29Å; G114-D116 PolarHBondContact O-N 3.3Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 3.31Å; D116-K118 WeakPolarHBondContact OD1-CB 3.16Å; D116-K118 PolarHBondContact OD1-N 3.32Å; D116-K118 VanDerWaalsContact OD2-CD 3.31Å; D116-K118 WeakPolarHBondContact OD2-CD 3.49Å; D116-K118 WeakPolarHBondContact OD2-CE 3.45Å; D116-K118 WeakPolarHBondContact OD2-CG 3.25Å; D116-K118 IonicContact OD2-NZ 2.73Å; D116-K118 PolarHBondContact OD2-NZ 3.46Å; D116-L272 HydrophobicContact CB-CD1 4.04Å
117	G	85.7	Confident	91.1	Very high	23 Å²	23	55.9 Å²	55.9	24%	0.237	28%	0.281	C	S	.	.			trans	75	7.5	-177.8	0	0	0	0	0	115.5	G114 L115	G114-G117 VanDerWaalsContact O-CA 3.32Å; G114-G117 WeakPolarHBondContact O-CA 3.32Å; G114-G117 PolarHBondContact O-N 3.18Å; L115-G117 VanDerWaalsContact C-N 3.27Å
118	K	88.9	Confident	91.4	Very high	128 Å²	128	51.6 Å²	51.6	56%	0.557	26%	0.258	S	S	*	.			trans	-63.2	141	170.1	-68.8	-174.3	-171.8	109	0	110.1	I113 G114 D116 F120	I113-K118 WeakPolarHBondContact CA-O 3.26Å; G114-K118 PolarHBondContact N-O 3.33Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 3.31Å; D116-K118 WeakPolarHBondContact OD1-CB 3.16Å; D116-K118 PolarHBondContact OD1-N 3.32Å; D116-K118 VanDerWaalsContact OD2-CD 3.31Å; D116-K118 WeakPolarHBondContact OD2-CD 3.49Å; D116-K118 WeakPolarHBondContact OD2-CE 3.45Å; D116-K118 WeakPolarHBondContact OD2-CG 3.25Å; D116-K118 IonicContact OD2-NZ 2.73Å; D116-K118 PolarHBondContact OD2-NZ 3.46Å; K118-F120 HydrophobicContact CB-CE2 3.96Å; K118-F120 HydrophobicContact CB-CZ 4.06Å; K118-F120 HydrophobicContact CD-CZ 4.48Å
119	C	92.2	Very high	91.8	Very high	74 Å²	74	53.3 Å²	53.3	50%	0.5	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.6	178.1	-172.8	0	0	0	0	110.2	V112	V112-C119 WeakPolarHBondContact O-CA 3.48Å
120	F	93.5	Very high	92	Very high	44 Å²	44	49.9 Å²	49.9	19%	0.193	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.3	173.9	-53.6	-90.5	0	0	0	109.2	S111 V112 K118 F122 C140 L141	S111-F120 CarbonylContact C-O 3.44Å; S111-F120 WeakPolarHBondContact CA-O 3.41Å; V112-F120 HydrophobicContact CB-CB 4.48Å; V112-F120 PolarHBondContact N-O 3.16Å; V112-F120 PolarHBondContact O-N 3.43Å; K118-F120 HydrophobicContact CB-CE2 3.96Å; K118-F120 HydrophobicContact CB-CZ 4.06Å; K118-F120 HydrophobicContact CD-CZ 4.48Å; F120-F122 HydrophobicContact CB-CD2 4.46Å; F120-F122 HydrophobicContact CB-CE2 3.53Å; F120-F122 HydrophobicContact CB-CZ 3.84Å; F120-C140 HydrophobicContact CD1-CB 4.39Å; F120-C140 HydrophobicContact CE1-CB 4.41Å; F120-L141 HydrophobicContact CE1-CD2 4.5Å; F120-L141 HydrophobicContact CE2-CD2 4.06Å; F120-L141 HydrophobicContact CZ-CD2 3.65Å
121	R	94.5	Very high	92.1	Very high	174 Å²	174	54.6 Å²	54.6	66%	0.657	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.4	176.5	-57.6	-166.1	-162.8	172.2	8.8	110.8	E109 C110	E109-R121 WeakPolarHBondContact OE1-CD 3.49Å; E109-R121 IonicContact OE1-NH1 3.36Å; E109-R121 PolarHBondContact OE1-NH1 2.92Å; C110-R121 WeakPolarHBondContact O-CA 3.16Å
122	F	93.9	Very high	92.2	Very high	25 Å²	25	57.6 Å²	57.6	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.1	-177.5	-55.7	-85.5	0	0	0	109.6	C110 V112 F120 L124 L133 L136 V137	C110-F122 PolarHBondContact N-O 2.9Å; C110-F122 PolarHBondContact O-N 2.78Å; V112-F122 HydrophobicContact CB-CE2 4.29Å; V112-F122 HydrophobicContact CG2-CD2 3.98Å; V112-F122 HydrophobicContact CG2-CE2 3.93Å; F120-F122 HydrophobicContact CB-CD2 4.46Å; F120-F122 HydrophobicContact CB-CE2 3.53Å; F120-F122 HydrophobicContact CB-CZ 3.84Å; F122-L124 HydrophobicContact CB-CG 4.44Å; F122-L133 HydrophobicContact CB-CD1 3.97Å; F122-L133 HydrophobicContact CD2-CD1 3.63Å; F122-L133 HydrophobicContact CE2-CD1 4.39Å; F122-L133 HydrophobicContact CG-CD1 3.98Å; F122-L136 HydrophobicContact CD1-CB 4.12Å; F122-L136 HydrophobicContact CD1-CD1 4.11Å; F122-L136 HydrophobicContact CE1-CB 3.91Å; F122-V137 HydrophobicContact CD2-CG2 4.4Å; F122-V137 HydrophobicContact CE2-CG2 3.53Å; F122-V137 HydrophobicContact CZ-CG2 3.84Å
123	N	92.8	Very high	92.3	Very high	124 Å²	124	57.6 Å²	57.6	66%	0.663	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	106	170.8	-72	-38.2	0	0	0	108.3
124	L	91.8	Very high	92.5	Very high	14 Å²	14	56.8 Å²	56.8	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159	-177.7	-72.7	175.2	0	0	0	111.2	N107 I108 F122 A128 L133 L136 I235	N107-L124 CarbonylContact C-O 3.54Å; N107-L124 WeakPolarHBondContact CA-O 3.49Å; N107-L124 WeakPolarHBondContact CB-O 3.24Å; I108-L124 HydrophobicContact CG1-CB 4.07Å; I108-L124 WeakPolarHBondContact CG1-O 3.45Å; I108-L124 PolarHBondContact N-O 2.86Å; I108-L124 PolarHBondContact O-N 2.98Å; F122-L124 HydrophobicContact CB-CG 4.44Å; L124-A128 HydrophobicContact CB-CB 3.97Å; L124-A128 HydrophobicContact CD1-CB 4.31Å; L124-L133 HydrophobicContact CD1-CB 3.64Å; L124-L133 HydrophobicContact CD1-CD1 3.78Å; L124-L133 HydrophobicContact CD1-CG 4.22Å; L124-L136 HydrophobicContact CD2-CD1 3.81Å; L124-I235 HydrophobicContact CD1-CD1 3.77Å
125	C	91	Very high	92.8	Very high	53 Å²	53	59.8 Å²	59.8	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.5	169.6	-173.1	0	0	0	0	110.1	F127 A128	C125-F127 PolarHBondContact O-N 3.28Å; C125-A128 WeakPolarHBondContact O-CB 3.01Å; C125-A128 PolarHBondContact O-N 3.23Å
126	K	88.7	Confident	93	Very high	107 Å²	107	61.3 Å²	61.3	47%	0.465	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.5	174.3	-174.7	175.2	-179.5	174.2	0	114.1	L106 I108 T236	L106-K126 VanDerWaalsContact O-CB 3.24Å; L106-K126 WeakPolarHBondContact O-CB 3.4Å; L106-K126 PolarHBondContact O-N 3.06Å; I108-K126 HydrophobicContact CG2-CB 4.37Å; I108-K126 HydrophobicContact CG2-CG 4.47Å; K126-T236 HydrophobicContact CG-CG2 3.98Å; K126-T236 VanDerWaalsContact O-CG2 3.23Å; K126-T236 WeakPolarHBondContact O-CG2 3.26Å
127	F	90.2	Very high	93.4	Very high	98 Å²	98	59.7 Å²	59.7	43%	0.43	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.1	177	-57.7	-62.6	0	0	0	114.6	C125 R234	C125-F127 PolarHBondContact O-N 3.28Å; F127-R234 WeakPolarHBondContact O-CG 3.49Å
128	A	93	Very high	93.9	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.008	28%	0.283	C	S	.	.			trans	-60	139	-175.2	0	0	0	0	0	113.1	L124 C125 E132 R234 I235	L124-A128 HydrophobicContact CB-CB 3.97Å; L124-A128 HydrophobicContact CD1-CB 4.31Å; C125-A128 WeakPolarHBondContact O-CB 3.01Å; C125-A128 PolarHBondContact O-N 3.23Å; A128-E132 WeakPolarHBondContact CA-OE1 3.42Å; A128-E132 HydrophobicContact CB-CB 4.44Å; A128-E132 VanDerWaalsContact CB-OE2 3.25Å; A128-E132 WeakPolarHBondContact CB-OE2 3.06Å; A128-R234 VanDerWaalsContact O-CA 3.26Å; A128-R234 WeakPolarHBondContact O-CA 3.3Å; A128-I235 HydrophobicContact CB-CD1 4.32Å; A128-I235 PolarHBondContact O-N 2.75Å
129	L	95.7	Very high	94.2	Very high	60 Å²	60	59.7 Å²	59.7	31%	0.314	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-74.4	154.1	171	-61.4	179.3	0	0	0	111.1	R131 E132 K233 R234	L129-R131 HydrophobicContact CB-CB 4.32Å; L129-R131 PolarHBondContact O-N 2.76Å; L129-R131 VanDerWaalsContact O-N 3.16Å; L129-E132 PolarHBondContact N-OE1 3.16Å; L129-E132 PolarHBondContact O-N 2.92Å; L129-K233 WeakPolarHBondContact CA-O 3.23Å; L129-R234 HydrophobicContact CD2-CG 3.99Å
130	G	95.1	Very high	94.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-25.1	173.5	0	0	0	0	0	113.1	F134 V231 K233	G130-F134 WeakPolarHBondContact O-CB 3.47Å; G130-F134 PolarHBondContact O-N 2.79Å; G130-V231 PolarHBondContact N-O 2.84Å; G130-K233 PolarHBondContact N-O 3.02Å
131	R	96	Very high	94.3	Very high	98 Å²	98	58 Å²	58	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-48.2	169.7	178.9	163.5	-67.6	-71.8	2.7	112.9	L129 L133 F134 D135 V231 E232	L129-R131 HydrophobicContact CB-CB 4.32Å; L129-R131 PolarHBondContact O-N 2.76Å; L129-R131 VanDerWaalsContact O-N 3.16Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.01Å; R131-F134 PolarHBondContact O-N 3.25Å; R131-F134 VanDerWaalsContact O-N 3.09Å; R131-D135 WeakPolarHBondContact CG-OD2 3.37Å; R131-D135 IonicContact NH1-OD1 3.83Å; R131-D135 IonicContact NH1-OD2 2.97Å; R131-D135 WeakPolarHBondContact O-CB 3.14Å; R131-D135 PolarHBondContact O-N 3.26Å; R131-V231 HydrophobicContact CB-CB 4.16Å; R131-V231 WeakPolarHBondContact CB-O 3.4Å; R131-V231 PolarHBondContact N-O 3.19Å; R131-E232 IonicContact CZ-OE1 2.77Å; R131-E232 IonicContact NE-OE1 2.74Å; R131-E232 PolarHBondContact NE-OE1 3.42Å; R131-E232 VanDerWaalsContact NE-OE1 3.11Å; R131-E232 IonicContact NH2-OE1 3.23Å; R131-E232 PolarHBondContact NH2-OE1 3.38Å
132	E	96.1	Very high	94.4	Very high	85 Å²	85	55.4 Å²	55.4	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-41.3	-179	-67.2	162.7	-120.1	0	0	111.8	A128 L129 L136	A128-E132 WeakPolarHBondContact CA-OE1 3.42Å; A128-E132 HydrophobicContact CB-CB 4.44Å; A128-E132 VanDerWaalsContact CB-OE2 3.25Å; A128-E132 WeakPolarHBondContact CB-OE2 3.06Å; L129-E132 PolarHBondContact N-OE1 3.16Å; L129-E132 PolarHBondContact O-N 2.92Å; E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 WeakPolarHBondContact O-CD1 3.27Å; E132-L136 VanDerWaalsContact O-CG 3.27Å; E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.16Å
133	L	96.3	Very high	94.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-39.7	174.8	-176.6	61.8	0	0	0	112.3	C110 V112 F122 L124 R131 V137 L151 L229 I235 F246	C110-L133 HydrophobicContact CB-CD1 3.73Å; C110-L133 HydrophobicContact CB-CD2 3.93Å; V112-L133 HydrophobicContact CG2-CD1 3.94Å; V112-L133 HydrophobicContact CG2-CD2 4.35Å; V112-L133 HydrophobicContact CG2-CG 4.31Å; F122-L133 HydrophobicContact CB-CD1 3.97Å; F122-L133 HydrophobicContact CD2-CD1 3.63Å; F122-L133 HydrophobicContact CE2-CD1 4.39Å; F122-L133 HydrophobicContact CG-CD1 3.98Å; L124-L133 HydrophobicContact CD1-CB 3.64Å; L124-L133 HydrophobicContact CD1-CD1 3.78Å; L124-L133 HydrophobicContact CD1-CG 4.22Å; R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.01Å; L133-V137 VanDerWaalsContact O-CG2 3.23Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 3.44Å; L133-V137 VanDerWaalsContact O-N 3.16Å; L133-L151 HydrophobicContact CB-CD1 4.23Å; L133-L151 HydrophobicContact CD2-CD1 3.76Å; L133-L151 HydrophobicContact CG-CD1 3.65Å; L133-L229 HydrophobicContact CD2-CD2 4.4Å; L133-I235 HydrophobicContact CB-CD1 3.84Å; L133-I235 HydrophobicContact CD2-CD1 4.12Å; L133-F246 HydrophobicContact CD2-CD2 3.59Å; L133-F246 HydrophobicContact CD2-CE2 3.58Å; L133-F246 HydrophobicContact CD2-CG 4.1Å; L133-F246 HydrophobicContact CD2-CZ 4.11Å
134	F	97.1	Very high	94.3	Very high	17 Å²	17	51.8 Å²	51.8	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-47.2	-179.1	-178.9	-117.5	0	0	0	112	G130 R131 L136 V137 C138 F149 L151 V231 F248	G130-F134 WeakPolarHBondContact O-CB 3.47Å; G130-F134 PolarHBondContact O-N 2.79Å; R131-F134 PolarHBondContact O-N 3.25Å; R131-F134 VanDerWaalsContact O-N 3.09Å; F134-L136 VanDerWaalsContact C-N 3.32Å; F134-L136 PolarHBondContact O-N 3.12Å; F134-V137 WeakPolarHBondContact O-CB 3.49Å; F134-V137 PolarHBondContact O-N 2.97Å; F134-V137 VanDerWaalsContact O-N 3.08Å; F134-C138 VanDerWaalsContact CE2-SG 3.59Å; F134-C138 VanDerWaalsContact CZ-SG 3.53Å; F134-C138 PolarHBondContact O-N 3.32Å; F134-C138 PolarHBondContact O-SG 3.05Å; F134-C138 VanDerWaalsContact O-SG 3.33Å; F134-F149 HydrophobicContact CE2-CB 4.28Å; F134-F149 HydrophobicContact CZ-CB 4.29Å; F134-L151 HydrophobicContact CB-CD1 4.25Å; F134-L151 HydrophobicContact CD2-CG 4.09Å; F134-V231 HydrophobicContact CB-CG1 4.28Å; F134-V231 HydrophobicContact CG-CG1 4.5Å; F134-F248 HydrophobicContact CE2-CE2 4.31Å
135	D	96.4	Very high	94.4	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-38.1	-177.4	-62.1	-13.4	0	0	0	110.5	R131 C138 Q139	R131-D135 WeakPolarHBondContact CG-OD2 3.37Å; R131-D135 IonicContact NH1-OD1 3.83Å; R131-D135 IonicContact NH1-OD2 2.97Å; R131-D135 WeakPolarHBondContact O-CB 3.14Å; R131-D135 PolarHBondContact O-N 3.26Å; D135-C138 PolarHBondContact O-N 3.11Å; D135-Q139 WeakPolarHBondContact O-CB 3.47Å; D135-Q139 PolarHBondContact O-N 3.25Å
136	L	96.3	Very high	94.5	Very high	58 Å²	58	51.5 Å²	51.5	30%	0.304	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-42.3	170.3	-75.1	171.5	0	0	0	112.9	F122 L124 E132 F134 Q139 C140	F122-L136 HydrophobicContact CD1-CB 4.12Å; F122-L136 HydrophobicContact CD1-CD1 4.11Å; F122-L136 HydrophobicContact CE1-CB 3.91Å; L124-L136 HydrophobicContact CD2-CD1 3.81Å; E132-L136 WeakPolarHBondContact O-CB 3.31Å; E132-L136 WeakPolarHBondContact O-CD1 3.27Å; E132-L136 VanDerWaalsContact O-CG 3.27Å; E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.16Å; F134-L136 VanDerWaalsContact C-N 3.32Å; F134-L136 PolarHBondContact O-N 3.12Å; L136-Q139 PolarHBondContact O-N 2.95Å; L136-C140 PolarHBondContact O-N 3.24Å; L136-C140 PolarHBondContact O-SG 3.4Å; L136-C140 VanDerWaalsContact O-SG 3.38Å
137	V	96.4	Very high	94.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-41.9	175.9	169.9	0	0	0	0	110.8	V112 F122 L133 F134 Q139 C140 L141 L151 F248	V112-V137 HydrophobicContact CB-CG2 4.11Å; V112-V137 HydrophobicContact CG1-CG1 4.32Å; V112-V137 HydrophobicContact CG1-CG2 3.89Å; V112-V137 HydrophobicContact CG2-CG2 3.83Å; F122-V137 HydrophobicContact CD2-CG2 4.4Å; F122-V137 HydrophobicContact CE2-CG2 3.53Å; F122-V137 HydrophobicContact CZ-CG2 3.84Å; L133-V137 VanDerWaalsContact O-CG2 3.23Å; L133-V137 WeakPolarHBondContact O-CG2 3.45Å; L133-V137 PolarHBondContact O-N 3.44Å; L133-V137 VanDerWaalsContact O-N 3.16Å; F134-V137 WeakPolarHBondContact O-CB 3.49Å; F134-V137 PolarHBondContact O-N 2.97Å; F134-V137 VanDerWaalsContact O-N 3.08Å; V137-Q139 VanDerWaalsContact C-N 3.31Å; V137-Q139 PolarHBondContact O-N 3.5Å; V137-C140 PolarHBondContact O-N 2.93Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 WeakPolarHBondContact O-CB 3.38Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.45Å; V137-L151 HydrophobicContact CG1-CD2 4.47Å; V137-L151 HydrophobicContact CG2-CD2 4.46Å; V137-F248 HydrophobicContact CG1-CB 4.48Å; V137-F248 HydrophobicContact CG1-CD2 3.64Å; V137-F248 HydrophobicContact CG1-CE2 4.19Å; V137-F248 HydrophobicContact CG1-CG 4.23Å
138	C	96.1	Very high	95	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.081	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-33	175.8	-66.3	0	0	0	0	112.6	F134 D135 E142 L143	F134-C138 VanDerWaalsContact CE2-SG 3.59Å; F134-C138 VanDerWaalsContact CZ-SG 3.53Å; F134-C138 PolarHBondContact O-N 3.32Å; F134-C138 PolarHBondContact O-SG 3.05Å; F134-C138 VanDerWaalsContact O-SG 3.33Å; D135-C138 PolarHBondContact O-N 3.11Å; C138-E142 WeakPolarHBondContact O-CA 3.46Å; C138-E142 PolarHBondContact O-N 2.87Å; C138-L143 HydrophobicContact CB-CD1 4.27Å; C138-L143 PolarHBondContact O-N 3.33Å; C138-L143 VanDerWaalsContact O-N 3.09Å
139	Q	94.9	Very high	95.2	Very high	139 Å²	139	45.4 Å²	45.4	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-69.1	-47.3	172.5	-169.9	179.5	17.2	0	0	111.6	D135 L136 V137 L141 E142	D135-Q139 WeakPolarHBondContact O-CB 3.47Å; D135-Q139 PolarHBondContact O-N 3.25Å; L136-Q139 PolarHBondContact O-N 2.95Å; V137-Q139 VanDerWaalsContact C-N 3.31Å; V137-Q139 PolarHBondContact O-N 3.5Å; Q139-L141 PolarHBondContact O-N 3.34Å; Q139-E142 PolarHBondContact O-N 3.24Å; Q139-E142 VanDerWaalsContact O-N 3.07Å
140	C	94.5	Very high	95.2	Very high	67 Å²	67	42.9 Å²	42.9	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-19.6	176.7	-70.2	0	0	0	0	114.3	F120 L136 V137	F120-C140 HydrophobicContact CD1-CB 4.39Å; F120-C140 HydrophobicContact CE1-CB 4.41Å; L136-C140 PolarHBondContact O-N 3.24Å; L136-C140 PolarHBondContact O-SG 3.4Å; L136-C140 VanDerWaalsContact O-SG 3.38Å; V137-C140 PolarHBondContact O-N 2.93Å
141	L	94.3	Very high	95.3	Very high	15 Å²	15	43 Å²	43	8%	0.079	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-2.4	174.3	-64.9	176.9	0	0	0	113.2	F120 V137 Q139 L143 F248	F120-L141 HydrophobicContact CE1-CD2 4.5Å; F120-L141 HydrophobicContact CE2-CD2 4.06Å; F120-L141 HydrophobicContact CZ-CD2 3.65Å; V137-L141 HydrophobicContact CG1-CD1 3.89Å; V137-L141 WeakPolarHBondContact O-CB 3.38Å; V137-L141 WeakPolarHBondContact O-CG 3.38Å; V137-L141 PolarHBondContact O-N 3.45Å; Q139-L141 PolarHBondContact O-N 3.34Å; L141-L143 HydrophobicContact CB-CD1 4.11Å; L141-L143 HydrophobicContact CB-CD2 3.88Å; L141-L143 HydrophobicContact CB-CG 3.76Å; L141-L143 HydrophobicContact CD1-CD1 4.37Å; L141-L143 PolarHBondContact O-N 3.04Å; L141-F248 HydrophobicContact CD1-CD1 3.78Å; L141-F248 HydrophobicContact CD1-CD2 4.17Å; L141-F248 HydrophobicContact CD1-CE1 3.67Å; L141-F248 HydrophobicContact CD1-CE2 4.06Å; L141-F248 HydrophobicContact CD1-CG 4.03Å; L141-F248 HydrophobicContact CD1-CZ 3.82Å
142	E	95.2	Very high	95.1	Very high	120 Å²	120	38.4 Å²	38.4	56%	0.561	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	55.7	-178.2	-64.1	165	-101.4	0	0	113.6	C138 Q139 K265	C138-E142 WeakPolarHBondContact O-CA 3.46Å; C138-E142 PolarHBondContact O-N 2.87Å; Q139-E142 PolarHBondContact O-N 3.24Å; Q139-E142 VanDerWaalsContact O-N 3.07Å; E142-K265 HydrophobicContact CB-CD 3.67Å; E142-K265 IonicContact OE1-NZ 3.97Å; E142-K265 PolarHBondContact OE1-NZ 3.1Å; E142-K265 IonicContact OE2-NZ 2.74Å; E142-K265 PolarHBondContact OE2-NZ 2.96Å
143	L	93.9	Very high	94.8	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.11	20%	0.198	C	C	.	.			trans	-89.5	126.8	-175.8	-53.5	177.3	0	0	0	111.9	C138 L141 F149 F248 Q269	C138-L143 HydrophobicContact CB-CD1 4.27Å; C138-L143 PolarHBondContact O-N 3.33Å; C138-L143 VanDerWaalsContact O-N 3.09Å; L141-L143 HydrophobicContact CB-CD1 4.11Å; L141-L143 HydrophobicContact CB-CD2 3.88Å; L141-L143 HydrophobicContact CB-CG 3.76Å; L141-L143 HydrophobicContact CD1-CD1 4.37Å; L141-L143 PolarHBondContact O-N 3.04Å; L143-F149 HydrophobicContact CD1-CD2 4.22Å; L143-F149 HydrophobicContact CD1-CE2 4.49Å; L143-F149 HydrophobicContact CD1-CG 4.48Å; L143-F248 HydrophobicContact CD1-CE1 4.43Å; L143-F248 HydrophobicContact CD1-CE2 3.89Å; L143-F248 HydrophobicContact CD1-CZ 3.43Å; L143-F248 VanDerWaalsContact CD1-CZ 3.43Å; L143-Q269 HydrophobicContact CD2-CG 4.06Å
144	G	91.1	Very high	94.2	Very high	51 Å²	51	39.8 Å²	39.8	53%	0.526	21%	0.214	S	C	.	.	S	Bend	trans	-75.4	-50.1	171	0	0	0	0	0	112.5	S146 S266	G144-S146 PolarHBondContact O-N 3.12Å; G144-S266 PolarHBondContact N-OG 3.48Å
145	E	93.4	Very high	93	Very high	22 Å²	22	42 Å²	42	10%	0.103	23%	0.226	C	C	.	.			trans	-100.7	52.6	-172.6	-50	84.9	163.9	0	0	111.1	Q147 Y148 F149 F261 D262 C263 S266	E145-Q147 PolarHBondContact O-N 3.06Å; E145-Y148 HydrophobicContact CB-CD2 3.85Å; E145-Y148 HydrophobicContact CB-CE2 4.09Å; E145-Y148 WeakPolarHBondContact O-CD2 3.45Å; E145-Y148 PolarHBondContact O-N 3.18Å; E145-F149 WeakPolarHBondContact O-CD2 3.42Å; E145-F149 WeakPolarHBondContact O-CE2 3.4Å; E145-F261 HydrophobicContact CB-CD1 3.94Å; E145-F261 HydrophobicContact CB-CE1 4.03Å; E145-F261 HydrophobicContact CG-CD1 4.15Å; E145-F261 WeakPolarHBondContact OE1-CA 3.27Å; E145-D262 PolarHBondContact OE1-N 3.05Å; E145-C263 PolarHBondContact OE1-N 3.29Å; E145-C263 WeakPolarHBondContact OE2-CB 3.25Å; E145-S266 PolarHBondContact N-OG 3.16Å; E145-S266 WeakPolarHBondContact OE2-CB 3.46Å; E145-S266 PolarHBondContact OE2-OG 3.37Å
146	S	94	Very high	91.2	Very high	39 Å²	39	44 Å²	44	27%	0.273	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-54.9	-26.4	-176.7	62.2	0	0	0	0	113.9	G144 Y148 F149	G144-S146 PolarHBondContact O-N 3.12Å; S146-Y148 PolarHBondContact O-N 2.83Å; S146-F149 PolarHBondContact O-N 3.06Å
147	Q	93.4	Very high	88.7	Confident	64 Å²	64	47.1 Å²	47.1	30%	0.299	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-60.4	-16.8	-178.3	71.9	-82	9.3	0	0	115.3	E145 F252 F689	E145-Q147 PolarHBondContact O-N 3.06Å; Q147-F252 WeakPolarHBondContact O-CD2 3.4Å; Q147-F689 HydrophobicContact CB-CE2 4.14Å; Q147-F689 HydrophobicContact CG-CE2 4.03Å; Q147-F689 HydrophobicContact CG-CZ 4.16Å; Q147-F689 WeakPolarHBondContact O-CE2 3.38Å
148	Y	95.3	Very high	86	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.027	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-83.6	-12.4	175.2	-67.3	-76.9	0	0	0	113.9	E145 S146 K251 F252 P254 V260 F261 F689 L697	E145-Y148 HydrophobicContact CB-CD2 3.85Å; E145-Y148 HydrophobicContact CB-CE2 4.09Å; E145-Y148 WeakPolarHBondContact O-CD2 3.45Å; E145-Y148 PolarHBondContact O-N 3.18Å; S146-Y148 PolarHBondContact O-N 2.83Å; Y148-K251 PolarHBondContact O-N 3.41Å; Y148-F252 HydrophobicContact CD1-CB 4.23Å; Y148-F252 WeakPolarHBondContact CD1-O 3.39Å; Y148-F252 PolarHBondContact O-N 2.9Å; Y148-P254 HydrophobicContact CD1-CG 4.31Å; Y148-P254 HydrophobicContact CE1-CB 3.99Å; Y148-P254 HydrophobicContact CE1-CG 3.98Å; Y148-V260 HydrophobicContact CD2-CG1 4.28Å; Y148-V260 HydrophobicContact CE1-CG1 4.17Å; Y148-V260 HydrophobicContact CE2-CG1 3.41Å; Y148-V260 VanDerWaalsContact CE2-CG1 3.41Å; Y148-V260 VanDerWaalsContact OH-CG1 3.31Å; Y148-V260 WeakPolarHBondContact OH-CG1 3.27Å; Y148-F261 HydrophobicContact CD1-CZ 4.41Å; Y148-F261 AromaticContact CD2-CE1 3.52Å; Y148-F261 HydrophobicContact CD2-CE1 3.52Å; Y148-F261 AromaticContact CD2-CZ 3.81Å; Y148-F261 HydrophobicContact CD2-CZ 3.81Å; Y148-F261 HydrophobicContact CE2-CE1 4.23Å; Y148-F261 HydrophobicContact CE2-CZ 4.47Å; Y148-F261 AromaticContact CG-CE1 3.93Å; Y148-F261 HydrophobicContact CG-CE1 3.93Å; Y148-F261 AromaticContact CG-CZ 3.79Å; Y148-F261 HydrophobicContact CG-CZ 3.79Å; Y148-F689 AromaticContact CD1-CE1 3.98Å; Y148-F689 HydrophobicContact CD1-CE1 3.98Å; Y148-F689 AromaticContact CD1-CZ 3.7Å; Y148-F689 HydrophobicContact CD1-CZ 3.7Å; Y148-F689 AromaticContact CE1-CE1 3.61Å; Y148-F689 HydrophobicContact CE1-CE1 3.61Å; Y148-F689 AromaticContact CE1-CZ 3.49Å; Y148-F689 HydrophobicContact CE1-CZ 3.49Å; Y148-F689 VanDerWaalsContact CE1-CZ 3.49Å; Y148-F689 HydrophobicContact CG-CZ 4.41Å; Y148-L697 WeakPolarHBondContact OH-CD1 3.45Å
149	F	96.9	Very high	83.1	Confident	7 Å²	7	53 Å²	53	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	174.8	-171.6	-56.5	-90	0	0	0	112.2	F134 L143 E145 S146 F248 Q249 V250 F261 Q269	F134-F149 HydrophobicContact CE2-CB 4.28Å; F134-F149 HydrophobicContact CZ-CB 4.29Å; L143-F149 HydrophobicContact CD1-CD2 4.22Å; L143-F149 HydrophobicContact CD1-CE2 4.49Å; L143-F149 HydrophobicContact CD1-CG 4.48Å; E145-F149 WeakPolarHBondContact O-CD2 3.42Å; E145-F149 WeakPolarHBondContact O-CE2 3.4Å; S146-F149 PolarHBondContact O-N 3.06Å; F149-F248 HydrophobicContact CB-CE2 3.6Å; F149-F248 HydrophobicContact CB-CZ 3.56Å; F149-F248 AromaticContact CD1-CE1 3.62Å; F149-F248 HydrophobicContact CD1-CE1 3.62Å; F149-F248 HydrophobicContact CD1-CE2 4.19Å; F149-F248 AromaticContact CD1-CZ 3.27Å; F149-F248 HydrophobicContact CD1-CZ 3.27Å; F149-F248 HydrophobicContact CD2-CZ 4.32Å; F149-F248 HydrophobicContact CE1-CE1 4.09Å; F149-F248 HydrophobicContact CE1-CZ 4.01Å; F149-F248 HydrophobicContact CG-CE1 4.27Å; F149-F248 HydrophobicContact CG-CE2 4.05Å; F149-F248 AromaticContact CG-CZ 3.46Å; F149-F248 HydrophobicContact CG-CZ 3.46Å; F149-F248 VanDerWaalsContact CG-CZ 3.46Å; F149-Q249 CarbonylContact C-O 3.53Å; F149-Q249 WeakPolarHBondContact CA-O 3.42Å; F149-V250 HydrophobicContact CD1-CG2 3.8Å; F149-V250 HydrophobicContact CE1-CG2 3.61Å; F149-F261 HydrophobicContact CE2-CE1 4.19Å; F149-F261 HydrophobicContact CZ-CE1 4.37Å; F149-Q269 HydrophobicContact CE1-CB 3.91Å; F149-Q269 HydrophobicContact CZ-CB 4.15Å
150	G	96.4	Very high	80.2	Confident	7 Å²	7	50.1 Å²	50.1	7%	0.072	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	171.6	175.5	0	0	0	0	0	112.2	Q249	G150-Q249 PolarHBondContact N-O 2.86Å; G150-Q249 PolarHBondContact O-N 3.33Å
151	L	96.4	Very high	77.2	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.5	170.8	-63.9	174.5	0	0	0	110	V112 L133 F134 V137 L229 F246 F248	V112-L151 HydrophobicContact CG1-CD2 3.59Å; L133-L151 HydrophobicContact CB-CD1 4.23Å; L133-L151 HydrophobicContact CD2-CD1 3.76Å; L133-L151 HydrophobicContact CG-CD1 3.65Å; F134-L151 HydrophobicContact CB-CD1 4.25Å; F134-L151 HydrophobicContact CD2-CG 4.09Å; V137-L151 HydrophobicContact CG1-CD2 4.47Å; V137-L151 HydrophobicContact CG2-CD2 4.46Å; L151-L229 HydrophobicContact CB-CB 4.09Å; L151-L229 HydrophobicContact CB-CD2 4.09Å; L151-L229 HydrophobicContact CD1-CD2 3.95Å; L151-L229 WeakPolarHBondContact O-CB 3.48Å; L151-L229 PolarHBondContact O-N 3.39Å; L151-F246 HydrophobicContact CB-CB 4.45Å; L151-F246 HydrophobicContact CD2-CB 4.4Å; L151-F248 HydrophobicContact CD2-CB 4.23Å; L151-F248 HydrophobicContact CD2-CD2 4.34Å
152	A	92.5	Very high	74.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.4	173.1	0	0	0	0	0	110.9	P226 F227 W228 F246 Y247	A152-P226 HydrophobicContact CB-CB 4.09Å; A152-F227 CarbonylContact C-O 3.52Å; A152-F227 VanDerWaalsContact CA-O 3.31Å; A152-F227 WeakPolarHBondContact CA-O 3.44Å; A152-W228 HydrophobicContact CB-CE3 4.21Å; A152-W228 HydrophobicContact CB-CZ3 4.24Å; A152-F246 CarbonylContact O-C 3.6Å; A152-F246 VanDerWaalsContact O-CA 3.3Å; A152-F246 WeakPolarHBondContact O-CA 3.49Å; A152-Y247 PolarHBondContact N-O 3.24Å; A152-Y247 PolarHBondContact O-N 3.41Å
153	Y	90.2	Very high	71.2	Confident	28 Å²	28	62.1 Å²	62.1	11%	0.11	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.3	173.8	70.1	-80.2	0	0	0	111.2	L155 F227 C239 F246	Y153-L155 HydrophobicContact CE2-CD2 4.02Å; Y153-F227 HydrophobicContact CD1-CB 4.28Å; Y153-F227 WeakPolarHBondContact CD1-O 3.42Å; Y153-F227 HydrophobicContact CE1-CB 3.89Å; Y153-F227 HydrophobicContact CE2-CB 4.4Å; Y153-F227 PolarHBondContact N-O 2.94Å; Y153-F227 PolarHBondContact O-N 3.21Å; Y153-C239 VanDerWaalsContact CD2-SG 3.53Å; Y153-F246 HydrophobicContact CG-CE1 4.49Å
154	Y	82.9	Confident	68.3	Low	86 Å²	86	67 Å²	67	34%	0.337	37%	0.367	S	S	.	.			trans	-110	147.3	-179.8	-65.2	-99.2	0	0	0	110.4	N156 D224 P226 Y247	Y154-N156 PolarHBondContact O-N 3.08Å; Y154-D224 WeakPolarHBondContact CE1-O 3.32Å; Y154-P226 HydrophobicContact CE1-CB 3.95Å; Y154-P226 HydrophobicContact CE1-CG 4.39Å; Y154-P226 HydrophobicContact CE2-CB 4.27Å; Y154-Y247 AromaticContact CD2-CD2 3.79Å; Y154-Y247 HydrophobicContact CD2-CD2 3.79Å; Y154-Y247 AromaticContact CD2-CE2 3.56Å; Y154-Y247 HydrophobicContact CD2-CE2 3.56Å; Y154-Y247 AromaticContact CE2-CD2 3.58Å; Y154-Y247 HydrophobicContact CE2-CD2 3.58Å; Y154-Y247 AromaticContact CE2-CE2 3.62Å; Y154-Y247 HydrophobicContact CE2-CE2 3.62Å; Y154-Y247 HydrophobicContact CE2-CG 4.19Å
155	L	72	Confident	65.3	Low	64 Å²	64	71.1 Å²	71.1	34%	0.335	38%	0.382	S	S	.	.			trans	-82.1	96.8	-176.8	-73.2	-179.2	0	0	0	111.2	Y153 F227 K674	Y153-L155 HydrophobicContact CE2-CD2 4.02Å; L155-F227 HydrophobicContact CD1-CD2 4.04Å; L155-F227 HydrophobicContact CD1-CE2 3.51Å; L155-F227 HydrophobicContact CD1-CZ 3.78Å; L155-F227 HydrophobicContact CG-CD2 3.86Å; L155-F227 HydrophobicContact CG-CE2 3.8Å; L155-K674 HydrophobicContact CD1-CD 4.46Å
156	N	58.1	Low	62.2	Low	113 Å²	113	73 Å²	73	60%	0.604	41%	0.408	S	S	*	.			trans	-66.7	131.3	179.1	-162.5	-12.3	0	0	0	111.9	Y154 S158 A159	Y154-N156 PolarHBondContact O-N 3.08Å; N156-S158 PolarHBondContact O-N 3.27Å; N156-A159 PolarHBondContact O-N 3.3Å; N156-A159 VanDerWaalsContact O-N 3.16Å
157	R	45.2	Very low	59	Low	122 Å²	122	77.5 Å²	77.5	46%	0.46	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.7	-172.3	-89.4	-172.5	171.7	-155.8	0.7	113.9	A159 T160	R157-A159 PolarHBondContact O-N 3.12Å; R157-T160 PolarHBondContact O-N 3.12Å; R157-T160 VanDerWaalsContact O-N 3.12Å; R157-T160 PolarHBondContact O-OG1 2.82Å
158	S	39.7	Very low	56	Low	90 Å²	90	83.2 Å²	83.2	63%	0.629	46%	0.46	S	S	*	.	H	α-helix	trans	-57.3	-30.3	-179.3	-48.3	0	0	0	0	113.5	N156 T160	N156-S158 PolarHBondContact O-N 3.27Å; S158-T160 VanDerWaalsContact C-N 3.26Å; S158-T160 PolarHBondContact O-N 3.08Å
159	A	34.2	Very low	52.7	Low	46 Å²	46	93.5 Å²	93.5	38%	0.38	50%	0.499	S	S	.	.	H	α-helix	trans	-70.3	-18.3	-179.8	0	0	0	0	0	114.1	N156 R157 H240	N156-A159 PolarHBondContact O-N 3.3Å; N156-A159 VanDerWaalsContact O-N 3.16Å; R157-A159 PolarHBondContact O-N 3.12Å; A159-H240 HydrophobicContact CB-CB 3.78Å
160	T	34.6	Very low	49.6	Very low	80 Å²	80	100.7 Å²	100.7	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-94.9	-21.8	-176.3	32.6	0	0	0	0	115.3	R157 S158 N162 S163	R157-T160 PolarHBondContact O-N 3.12Å; R157-T160 VanDerWaalsContact O-N 3.12Å; R157-T160 PolarHBondContact O-OG1 2.82Å; S158-T160 VanDerWaalsContact C-N 3.26Å; S158-T160 PolarHBondContact O-N 3.08Å; T160-N162 VanDerWaalsContact C-N 3.29Å; T160-N162 PolarHBondContact O-N 3.09Å; T160-S163 PolarHBondContact O-N 3.33Å
161	R	31.5	Very low	46.5	Very low	202 Å²	202	109.3 Å²	109.3	76%	0.762	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-32.8	-179.1	-94.2	-176	167	169.2	-3.8	113.3	S163	R161-S163 PolarHBondContact O-N 3.11Å
162	N	31.1	Very low	43.5	Very low	156 Å²	156	118.1 Å²	118.1	83%	0.834	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	15.4	-172.7	-61.3	16.3	0	0	0	113.6	T160	T160-N162 VanDerWaalsContact C-N 3.29Å; T160-N162 PolarHBondContact O-N 3.09Å
163	S	31.7	Very low	40.6	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-0.5	-173.6	-172.2	0	0	0	0	115	T160 R161	T160-S163 PolarHBondContact O-N 3.33Å; R161-S163 PolarHBondContact O-N 3.11Å
164	T	33.1	Very low	37.7	Very low	122 Å²	122	129 Å²	129	75%	0.748	69%	0.685	S	S	*	*	S	Bend	trans	-136.4	-0	-174.2	47.5	0	0	0	0	115.3	G166	T164-G166 VanDerWaalsContact C-N 3.34Å; T164-G166 PolarHBondContact O-N 2.73Å; T164-G166 VanDerWaalsContact O-N 3.1Å
165	V	29.3	Very low	35.4	Very low	139 Å²	139	130.3 Å²	130.3	84%	0.842	71%	0.707	S	S	*	*			trans	-84.3	82	170.8	-174.6	0	0	0	0	108.7
166	G	28.4	Very low	33.2	Very low	61 Å²	61	134.5 Å²	134.5	63%	0.629	73%	0.73	S	S	*	*			trans	-114.5	90.4	-178.6	0	0	0	0	0	111.9	T164	T164-G166 VanDerWaalsContact C-N 3.34Å; T164-G166 PolarHBondContact O-N 2.73Å; T164-G166 VanDerWaalsContact O-N 3.1Å
167	T	26.8	Very low	32	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	74%	0.738	S	S	*	*			trans	45.3	95.4	161.7	56.6	0	0	0	0	117.1
168	H	30	Very low	31	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.856	75%	0.75	S	S	*	*				-117.4	141.8	124.3	-128.5	-94.5	0	0	0	108.2
169	R	25.6	Very low	30.4	Very low	222 Å²	222	138.8 Å²	138.8	84%	0.838	76%	0.759	S	S	*	*			trans	-88	148.4	159.4	-64.9	174	176.7	168.5	-5.6	106.6
170	D	32.4	Very low	29.8	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	78%	0.784	S	S	*	*			trans	-157.6	160	131.7	-77.5	-44	0	0	0	106
171	E	30.8	Very low	29.6	Very low	188 Å²	188	152.4 Å²	152.4	88%	0.879	80%	0.803	S	S	*	*			trans	-103.1	147.9	-170	-61	177	145	0	0	111.1
172	E	33.8	Very low	29.3	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	80%	0.804	S	S	*	*			trans	171.4	109.3	139.9	-95.8	170.7	-166.3	0	0	112.6
173	D	31.6	Very low	29	Very low	148 Å²	148	146.4 Å²	146.4	79%	0.791	80%	0.804	S	S	*	*			trans	42.2	104.7	139	-66.5	0.6	0	0	0	124.3
174	S	29.6	Very low	28.8	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	81%	0.809	S	S	*	*				95.2	162.3	112.3	82.9	0	0	0	0	122.2
175	S	33.3	Very low	28.6	Very low	114 Å²	114	146.5 Å²	146.5	80%	0.797	81%	0.81	S	S	*	*			trans	74.9	109.5	175.2	69.2	0	0	0	0	118.4
176	D	27.3	Very low	28.7	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	81%	0.808	S	S	*	*			trans	-68.4	153.2	172.4	-50.9	-98	0	0	0	113.8
177	V	32.1	Very low	28.7	Very low	126 Å²	126	151.5 Å²	151.5	76%	0.764	82%	0.816	S	S	*	*				-143.2	124.6	121.8	179.9	0	0	0	0	109.2	F179	V177-F179 HydrophobicContact CG1-CD2 3.59Å; V177-F179 HydrophobicContact CG1-CE2 3.62Å
178	S	24.1	Very low	28.7	Very low	103 Å²	103	155.1 Å²	155.1	72%	0.72	82%	0.82	S	S	*	*			trans	-103.6	130.2	169.9	69.8	0	0	0	0	111.6
179	F	27.2	Very low	28.5	Very low	186 Å²	186	150.8 Å²	150.8	82%	0.816	81%	0.811	S	S	*	*			trans	-132.1	112.4	160.9	-84.7	-73.6	0	0	0	112	V177	V177-F179 HydrophobicContact CG1-CD2 3.59Å; V177-F179 HydrophobicContact CG1-CE2 3.62Å
180	R	22.6	Very low	28.9	Very low	242 Å²	242	149.2 Å²	149.2	91%	0.913	81%	0.813	S	S	*	*			trans	-89	141.3	154	-60.4	178.2	-177.6	177.2	1.8	107.4
181	L	28.9	Very low	28.6	Very low	169 Å²	169	149.2 Å²	149.2	89%	0.885	81%	0.812	S	S	*	*			trans	-136.2	150.6	154.5	-100.3	170.2	0	0	0	109.9
182	S	25.8	Very low	28.3	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	81%	0.805	S	S	*	*			trans	-119.3	178.6	-160.5	46.2	0	0	0	0	112.8
183	S	24.1	Very low	27.9	Very low	120 Å²	120	146.1 Å²	146.1	84%	0.839	80%	0.803	S	S	*	*			trans	-74	133.9	-169.5	54	0	0	0	0	115.6
184	S	29.1	Very low	27.6	Very low	111 Å²	111	148.8 Å²	148.8	78%	0.776	81%	0.808	S	S	*	*			trans	-152.5	120.3	145.4	45.3	0	0	0	0	106.7
185	S	27.3	Very low	27.3	Very low	110 Å²	110	150.5 Å²	150.5	77%	0.769	82%	0.818	S	S	*	*				66.6	107.5	84.9	-174.7	0	0	0	0	113.7
186	I	31.1	Very low	26.9	Very low	156 Å²	156	147.8 Å²	147.8	80%	0.8	81%	0.808	S	S	*	*			trans	-165	130.7	135.1	-100.8	152.6	0	0	0	110.7
187	D	28.6	Very low	26.8	Very low	148 Å²	148	149.7 Å²	149.7	79%	0.791	81%	0.81	S	S	*	*			trans	45.5	143.3	159.7	-60.4	-36.2	0	0	0	126.5
188	K	27.9	Very low	26.5	Very low	209 Å²	209	147.9 Å²	147.9	91%	0.909	80%	0.8	S	S	*	*			trans	-116	103	170.7	-61.8	170.4	-176.1	168.8	0	109.3
189	S	26.5	Very low	26.7	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	79%	0.789	S	S	*	*			trans	-152.6	164.2	166.3	57.8	0	0	0	0	110.9
190	H	33.1	Very low	26.7	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.875	77%	0.773	S	S	*	*			trans	73.8	79.2	-172.2	-55	-69.8	0	0	0	115.9
191	L	25.8	Very low	26.8	Very low	158 Å²	158	136.5 Å²	136.5	83%	0.827	76%	0.759	S	S	*	*			trans	-99.4	160.6	173.1	-120.4	158.7	0	0	0	111.1
192	T	24.6	Very low	26.8	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	75%	0.747	S	S	*	*			trans	63.8	100.9	163.3	61.1	0	0	0	0	119.9
193	K	25.7	Very low	26.9	Very low	195 Å²	195	133.8 Å²	133.8	85%	0.848	74%	0.738	S	S	*	*				-171.8	163.7	119.7	-99.9	152.8	-173.9	171.3	0	111.1
194	F	25.9	Very low	27.1	Very low	204 Å²	204	132.7 Å²	132.7	90%	0.895	72%	0.722	S	S	*	*			trans	59.9	72.5	-176.8	-72.8	-79.4	0	0	0	117	G196	F194-G196 PolarHBondContact O-N 3.47Å
195	C	22.9	Very low	27	Very low	144 Å²	144	129.7 Å²	129.7	97%	0.973	70%	0.701	S	S	*	*			trans	-75.6	94.8	157.2	-63.1	0	0	0	0	109.1
196	G	25.2	Very low	27	Very low	58 Å²	58	128.5 Å²	128.5	60%	0.598	69%	0.691	S	S	*	*			trans	-172.1	54.7	-174	0	0	0	0	0	113.5	F194 P198	F194-G196 PolarHBondContact O-N 3.47Å; G196-P198 VanDerWaalsContact O-CD 3.27Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å
197	F	25	Very low	27	Very low	191 Å²	191	130.6 Å²	130.6	84%	0.838	69%	0.694	S	S	*	*			trans	-61.6	117.3	176.8	-78.9	-85.1	0	0	0	110.9
198	P	25.5	Very low	27	Very low	88 Å²	88	131.4 Å²	131.4	57%	0.571	70%	0.696	S	S	*	*			trans	-68.5	144.1	167.3	-7.5	24.1	0	0	0	108.6	G196 T200	G196-P198 VanDerWaalsContact O-CD 3.27Å; G196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-T200 HydrophobicContact CB-CG2 4.22Å; P198-T200 PolarHBondContact O-N 3.04Å
199	M	27.1	Very low	27.2	Very low	96 Å²	96	126.8 Å²	126.8	47%	0.473	67%	0.673	S	S	.	*	S	Bend	trans	-78	51.8	169	-76.5	-66.5	155.4	0	0	111.8	N201	M199-N201 VanDerWaalsContact C-N 3.26Å
200	T	27.1	Very low	27.1	Very low	81 Å²	81	127 Å²	127	50%	0.497	67%	0.674	S	S	.	*			trans	-94.7	28.9	164.6	53.3	0	0	0	0	111.3	P198 S202 P412	P198-T200 HydrophobicContact CB-CG2 4.22Å; P198-T200 PolarHBondContact O-N 3.04Å; T200-S202 PolarHBondContact O-N 3.06Å; T200-P412 HydrophobicContact CG2-CB 3.95Å
201	N	26.7	Very low	26.9	Very low	115 Å²	115	124.9 Å²	124.9	62%	0.615	67%	0.67	S	S	*	*			trans	-69.9	64	160.2	-89.5	-13.4	0	0	0	110.3	M199 F203	M199-N201 VanDerWaalsContact C-N 3.26Å; N201-F203 PolarHBondContact O-N 3.04Å
202	S	27.5	Very low	27.1	Very low	90 Å²	90	124 Å²	124	63%	0.629	67%	0.666	S	S	*	*			trans	-61.9	95.7	137.7	49.3	0	0	0	0	106.2	T200 N204	T200-S202 PolarHBondContact O-N 3.06Å; S202-N204 PolarHBondContact O-N 3.16Å
203	F	27.6	Very low	27.4	Very low	135 Å²	135	123.6 Å²	123.6	59%	0.592	66%	0.663	S	S	*	*			trans	-59.6	91.4	155.5	-100.3	-81.5	0	0	0	106	I113 N201 P205	I113-F203 HydrophobicContact CD1-CE2 4.41Å; N201-F203 PolarHBondContact O-N 3.04Å; F203-P205 VanDerWaalsContact O-CD 3.27Å; F203-P205 WeakPolarHBondContact O-CD 3.14Å
204	N	28.5	Very low	27.6	Very low	96 Å²	96	121 Å²	121	51%	0.513	66%	0.664	S	S	.	*			trans	-103	89.4	-179.1	-171.5	-3.1	0	0	0	105.5	S202 C206 K207	S202-N204 PolarHBondContact O-N 3.16Å; N204-C206 PolarHBondContact O-N 2.91Å; N204-C206 WeakPolarHBondContact OD1-CB 3.35Å; N204-C206 PolarHBondContact OD1-SG 3.2Å; N204-K207 PolarHBondContact O-N 3.3Å
205	P	27.8	Very low	27.6	Very low	49 Å²	49	120.6 Å²	120.6	32%	0.318	66%	0.658	S	S	.	*	G	3₁₀ helix	trans	-67.2	-13.4	-165	-19.1	35.6	0	0	0	112.2	F203 K207 M208 Y209	F203-P205 VanDerWaalsContact O-CD 3.27Å; F203-P205 WeakPolarHBondContact O-CD 3.14Å; P205-K207 PolarHBondContact O-N 3.23Å; P205-M208 PolarHBondContact O-N 2.92Å; P205-Y209 HydrophobicContact CB-CE2 4.1Å; P205-Y209 VanDerWaalsContact O-CD2 3.27Å; P205-Y209 WeakPolarHBondContact O-CD2 3.32Å
206	C	27.6	Very low	27.8	Very low	84 Å²	84	119.1 Å²	119.1	57%	0.568	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-48.8	-20.7	174.8	-54.3	0	0	0	0	115.1	N204 M208 Y209	N204-C206 PolarHBondContact O-N 2.91Å; N204-C206 WeakPolarHBondContact OD1-CB 3.35Å; N204-C206 PolarHBondContact OD1-SG 3.2Å; C206-M208 PolarHBondContact O-N 2.88Å; C206-Y209 PolarHBondContact O-N 2.9Å
207	K	29.5	Very low	28.1	Very low	200 Å²	200	119.3 Å²	119.3	87%	0.87	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-73.9	2	172.6	-81.4	-162.6	171.9	-169.4	0	115.4	N204 P205	N204-K207 PolarHBondContact O-N 3.3Å; P205-K207 PolarHBondContact O-N 3.23Å
208	M	30.2	Very low	28.3	Very low	166 Å²	166	116.8 Å²	116.8	82%	0.818	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-122.9	19.4	168.6	-68.6	-153.3	76	0	0	113.7	P205 C206	P205-M208 PolarHBondContact O-N 2.92Å; C206-M208 PolarHBondContact O-N 2.88Å
209	Y	30.7	Very low	28.5	Very low	112 Å²	112	116 Å²	116	44%	0.439	63%	0.628	S	S	.	*			trans	-129	45.9	-176.9	-64.6	-66.6	0	0	0	113.4	P205 C206	P205-Y209 HydrophobicContact CB-CE2 4.1Å; P205-Y209 VanDerWaalsContact O-CD2 3.27Å; P205-Y209 WeakPolarHBondContact O-CD2 3.32Å; C206-Y209 PolarHBondContact O-N 2.9Å
210	S	25.6	Very low	28.6	Very low	98 Å²	98	114.6 Å²	114.6	69%	0.685	63%	0.626	S	S	*	*			trans	-84.7	141.5	148.3	39.2	0	0	0	0	109.4
211	N	28.6	Very low	28.7	Very low	146 Å²	146	113.9 Å²	113.9	78%	0.781	62%	0.616	S	S	*	*	S	Bend	trans	74.9	129.2	172.5	-52.7	4.3	0	0	0	117.6
212	D	29.1	Very low	29.4	Very low	139 Å²	139	110.3 Å²	110.3	74%	0.743	60%	0.595	S	S	*	*			trans	54.2	93.7	150.8	-49.7	-34.6	0	0	0	121.2
213	T	31.5	Very low	30.1	Very low	109 Å²	109	107.8 Å²	107.8	67%	0.669	57%	0.574	S	S	*	*				172.7	93.8	111.1	32.2	0	0	0	0	111.3	Y215	T213-Y215 PolarHBondContact O-N 3.44Å
214	T	29.5	Very low	31.6	Very low	140 Å²	140	104.9 Å²	104.9	86%	0.859	57%	0.565	S	S	*	*			trans	-86.2	91.8	-172.9	-52.7	0	0	0	0	112.5	P216	T214-P216 WeakPolarHBondContact O-CD 3.46Å
215	Y	27.3	Very low	33.8	Very low	196 Å²	196	101.4 Å²	101.4	77%	0.769	55%	0.547	S	S	*	.			trans	-76.2	119.5	162.3	-93	-85.1	0	0	0	110.4	T213 G217	T213-Y215 PolarHBondContact O-N 3.44Å; Y215-G217 PolarHBondContact O-N 3.14Å; Y215-G217 VanDerWaalsContact O-N 3.14Å
216	P	26	Very low	36.4	Very low	113 Å²	113	100.5 Å²	100.5	73%	0.734	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	114.5	178.9	26.9	-33.4	0	0	0	110.7	T214	T214-P216 WeakPolarHBondContact O-CD 3.46Å
217	G	31.1	Very low	39.4	Very low	61 Å²	61	98 Å²	98	63%	0.629	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.9	-5.1	175.6	0	0	0	0	0	116.3	Y215	Y215-G217 PolarHBondContact O-N 3.14Å; Y215-G217 VanDerWaalsContact O-N 3.14Å
218	F	29.2	Very low	42.4	Very low	139 Å²	139	91 Å²	91	61%	0.61	49%	0.489	S	S	*	.			trans	-102.7	98.1	176.9	-135.8	-81.2	0	0	0	111.7
219	N	30.4	Very low	45.5	Very low	72 Å²	72	83.4 Å²	83.4	39%	0.385	45%	0.452	S	S	.	.			trans	-72.9	125.2	-179.1	-156.5	13.8	0	0	0	110.3	F221 F222	N219-F221 PolarHBondContact O-N 2.79Å; N219-F221 VanDerWaalsContact O-N 3.11Å; N219-F222 HydrophobicContact CB-CD2 3.92Å; N219-F222 HydrophobicContact CB-CE2 3.72Å; N219-F222 VanDerWaalsContact O-CD2 3.31Å; N219-F222 WeakPolarHBondContact O-CD2 3.39Å; N219-F222 PolarHBondContact O-N 3.39Å
220	P	28	Very low	48.5	Very low	66 Å²	66	79.6 Å²	79.6	43%	0.429	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-57.3	-29	-174.2	17.3	-31.7	0	0	0	114.6	F222 I223	P220-F222 PolarHBondContact O-N 2.95Å; P220-I223 WeakPolarHBondContact O-CB 2.79Å; P220-I223 WeakPolarHBondContact O-CG1 3.29Å; P220-I223 PolarHBondContact O-N 3.45Å
221	F	30.8	Very low	51.8	Low	66 Å²	66	76.8 Å²	76.8	29%	0.289	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-53.2	-16.9	176.7	-66.5	-79.2	0	0	0	115.9	N219 I223 T458 F459 S460	N219-F221 PolarHBondContact O-N 2.79Å; N219-F221 VanDerWaalsContact O-N 3.11Å; F221-I223 VanDerWaalsContact C-N 3.29Å; F221-I223 PolarHBondContact O-N 3.05Å; F221-T458 WeakPolarHBondContact CE2-O 3.49Å; F221-T458 WeakPolarHBondContact CZ-O 3.45Å; F221-F459 WeakPolarHBondContact CE2-O 3.05Å; F221-F459 VanDerWaalsContact CZ-C 3.43Å; F221-F459 WeakPolarHBondContact CZ-O 3.09Å; F221-S460 WeakPolarHBondContact CE1-OG 3.38Å
222	F	39.7	Very low	54.9	Low	40 Å²	40	75.1 Å²	75.1	18%	0.175	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-79.9	-5.7	176	-64.3	-56.3	0	0	0	114.7	N219 P220 P515 A671 F672 L675	N219-F222 HydrophobicContact CB-CD2 3.92Å; N219-F222 HydrophobicContact CB-CE2 3.72Å; N219-F222 VanDerWaalsContact O-CD2 3.31Å; N219-F222 WeakPolarHBondContact O-CD2 3.39Å; N219-F222 PolarHBondContact O-N 3.39Å; P220-F222 PolarHBondContact O-N 2.95Å; F222-P515 HydrophobicContact CE1-CG 4.08Å; F222-A671 HydrophobicContact CD2-CB 4.38Å; F222-A671 HydrophobicContact CE1-CB 3.87Å; F222-A671 HydrophobicContact CE2-CB 3.71Å; F222-A671 HydrophobicContact CZ-CB 3.43Å; F222-A671 VanDerWaalsContact CZ-CB 3.43Å; F222-F672 HydrophobicContact CB-CE1 3.75Å; F222-F672 HydrophobicContact CB-CZ 3.97Å; F222-F672 HydrophobicContact CD1-CE1 4.04Å; F222-F672 HydrophobicContact CD2-CE1 4.12Å; F222-F672 AromaticContact CG-CE1 3.7Å; F222-F672 HydrophobicContact CG-CE1 3.7Å; F222-F672 HydrophobicContact CG-CZ 4.31Å; F222-L675 HydrophobicContact CD1-CD1 3.68Å; F222-L675 HydrophobicContact CE1-CD1 3.76Å
223	I	43.4	Very low	58	Low	37 Å²	37	72.8 Å²	72.8	19%	0.19	39%	0.388	C	S	.	.	S	Bend	trans	-76.2	-38.1	173.3	-61.2	168.4	0	0	0	110.2	P220 F221 V225	P220-I223 WeakPolarHBondContact O-CB 2.79Å; P220-I223 WeakPolarHBondContact O-CG1 3.29Å; P220-I223 PolarHBondContact O-N 3.45Å; F221-I223 VanDerWaalsContact C-N 3.29Å; F221-I223 PolarHBondContact O-N 3.05Å; I223-V225 PolarHBondContact O-N 3.09Å; I223-V225 VanDerWaalsContact O-N 3.11Å
224	D	59.7	Low	60.9	Low	74 Å²	74	71.6 Å²	71.6	40%	0.396	37%	0.372	S	S	.	.	S	Bend	trans	-87.6	27.7	-172.1	-53.7	-37.2	0	0	0	113.3	Y154 P226	Y154-D224 WeakPolarHBondContact CE1-O 3.32Å; D224-P226 WeakPolarHBondContact O-CD 3.45Å
225	V	73.2	Confident	63.9	Low	23 Å²	23	64.9 Å²	64.9	14%	0.139	33%	0.331	C	S	.	.			trans	-94	113	177.5	177.7	0	0	0	0	109.3	I223 F227 L675 R678	I223-V225 PolarHBondContact O-N 3.09Å; I223-V225 VanDerWaalsContact O-N 3.11Å; V225-F227 HydrophobicContact CB-CE2 4.4Å; V225-F227 HydrophobicContact CG1-CE2 4.23Å; V225-F227 WeakPolarHBondContact O-CD2 3.46Å; V225-F227 VanDerWaalsContact O-CE2 3.29Å; V225-F227 WeakPolarHBondContact O-CE2 3.43Å; V225-L675 HydrophobicContact CG1-CD2 3.94Å; V225-L675 HydrophobicContact CG2-CD2 4.4Å; V225-R678 VanDerWaalsContact CG1-NE 3.29Å
226	P	83.7	Confident	66.9	Low	29 Å²	29	57.2 Å²	57.2	19%	0.188	30%	0.304	C	S	.	.			trans	-70.3	139.9	-180	25.8	-32	0	0	0	111.6	A152 Y154 D224 R678	A152-P226 HydrophobicContact CB-CB 4.09Å; Y154-P226 HydrophobicContact CE1-CB 3.95Å; Y154-P226 HydrophobicContact CE1-CG 4.39Å; Y154-P226 HydrophobicContact CE2-CB 4.27Å; D224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-R678 PolarHBondContact O-NE 2.86Å; P226-R678 PolarHBondContact O-NH2 3.37Å
227	F	89.7	Confident	69.9	Low	33 Å²	33	55.9 Å²	55.9	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.3	173.1	-72.3	-98.4	0	0	0	109.4	A152 Y153 L155 V225 R678	A152-F227 CarbonylContact C-O 3.52Å; A152-F227 VanDerWaalsContact CA-O 3.31Å; A152-F227 WeakPolarHBondContact CA-O 3.44Å; Y153-F227 HydrophobicContact CD1-CB 4.28Å; Y153-F227 WeakPolarHBondContact CD1-O 3.42Å; Y153-F227 HydrophobicContact CE1-CB 3.89Å; Y153-F227 HydrophobicContact CE2-CB 4.4Å; Y153-F227 PolarHBondContact N-O 2.94Å; Y153-F227 PolarHBondContact O-N 3.21Å; L155-F227 HydrophobicContact CD1-CD2 4.04Å; L155-F227 HydrophobicContact CD1-CE2 3.51Å; L155-F227 HydrophobicContact CD1-CZ 3.78Å; L155-F227 HydrophobicContact CG-CD2 3.86Å; L155-F227 HydrophobicContact CG-CE2 3.8Å; V225-F227 HydrophobicContact CB-CE2 4.4Å; V225-F227 HydrophobicContact CG1-CE2 4.23Å; V225-F227 WeakPolarHBondContact O-CD2 3.46Å; V225-F227 VanDerWaalsContact O-CE2 3.29Å; V225-F227 WeakPolarHBondContact O-CE2 3.43Å; F227-R678 HydrophobicContact CD1-CG 4.48Å; F227-R678 HydrophobicContact CE1-CB 4.26Å; F227-R678 HydrophobicContact CE1-CG 4.32Å
228	W	93.8	Very high	72.7	Confident	51 Å²	51	54.1 Å²	54.1	19%	0.193	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.4	173	-65	114.1	0	0	0	110.6	A152 D230 Q249 K251	A152-W228 HydrophobicContact CB-CE3 4.21Å; A152-W228 HydrophobicContact CB-CZ3 4.24Å; W228-D230 PolarHBondContact O-N 3.13Å; W228-Q249 HydrophobicContact CH2-CB 3.8Å; W228-Q249 HydrophobicContact CZ3-CB 4.01Å; W228-K251 HydrophobicContact CD2-CD 3.95Å; W228-K251 HydrophobicContact CD2-CG 4.03Å; W228-K251 HydrophobicContact CE3-CB 4.35Å; W228-K251 HydrophobicContact CE3-CD 4.06Å; W228-K251 HydrophobicContact CE3-CG 4.23Å; W228-K251 HydrophobicContact CG-CD 4.32Å; W228-K251 HydrophobicContact CH2-CB 3.68Å; W228-K251 HydrophobicContact CH2-CG 4.05Å; W228-K251 HydrophobicContact CZ2-CB 3.93Å; W228-K251 HydrophobicContact CZ2-CG 3.83Å; W228-K251 HydrophobicContact CZ3-CB 3.9Å; W228-K251 HydrophobicContact CZ3-CD 4.46Å; W228-K251 HydrophobicContact CZ3-CG 4.23Å
229	L	94.7	Very high	75.3	Confident	8 Å²	8	48 Å²	48	4%	0.042	24%	0.241	C	C	.	.			trans	-68.4	122.5	169.1	-173.6	65.5	0	0	0	109	L133 L151 V231 F246	L133-L229 HydrophobicContact CD2-CD2 4.4Å; L151-L229 HydrophobicContact CB-CB 4.09Å; L151-L229 HydrophobicContact CB-CD2 4.09Å; L151-L229 HydrophobicContact CD1-CD2 3.95Å; L151-L229 WeakPolarHBondContact O-CB 3.48Å; L151-L229 PolarHBondContact O-N 3.39Å; L229-V231 PolarHBondContact O-N 2.87Å; L229-F246 HydrophobicContact CD1-CE1 4.09Å; L229-F246 HydrophobicContact CD2-CD1 4.38Å; L229-F246 HydrophobicContact CD2-CE1 4.17Å
230	D	94.1	Very high	77.3	Confident	31 Å²	31	50.8 Å²	50.8	17%	0.166	25%	0.251	C	S	.	.			trans	-78	101.6	175.2	-164.2	-56.6	0	0	0	106.8	W228 E232 K233 Q238 R681	W228-D230 PolarHBondContact O-N 3.13Å; D230-E232 PolarHBondContact O-N 3.12Å; D230-K233 HydrophobicContact CB-CB 4.43Å; D230-K233 HydrophobicContact CB-CD 4.17Å; D230-K233 HydrophobicContact CB-CG 4.49Å; D230-K233 PolarHBondContact O-N 3.38Å; D230-K233 IonicContact OD1-NZ 3.49Å; D230-K233 PolarHBondContact OD1-NZ 3.21Å; D230-K233 IonicContact OD2-NZ 2.83Å; D230-K233 PolarHBondContact OD2-NZ 2.73Å; D230-Q238 PolarHBondContact O-NE2 3.38Å; D230-R681 IonicContact OD2-CZ 3.28Å; D230-R681 IonicContact OD2-NH1 2.76Å; D230-R681 PolarHBondContact OD2-NH1 2.86Å; D230-R681 IonicContact OD2-NH2 2.75Å; D230-R681 PolarHBondContact OD2-NH2 3.35Å; D230-R681 VanDerWaalsContact OD2-NH2 3.14Å
231	V	94.1	Very high	79.2	Confident	40 Å²	40	50 Å²	50	24%	0.242	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.6	-170.5	-69.9	0	0	0	0	113.3	G130 R131 F134 L229 K233	G130-V231 PolarHBondContact N-O 2.84Å; R131-V231 HydrophobicContact CB-CB 4.16Å; R131-V231 WeakPolarHBondContact CB-O 3.4Å; R131-V231 PolarHBondContact N-O 3.19Å; F134-V231 HydrophobicContact CB-CG1 4.28Å; F134-V231 HydrophobicContact CG-CG1 4.5Å; L229-V231 PolarHBondContact O-N 2.87Å; V231-K233 PolarHBondContact O-N 3.47Å
232	E	93.7	Very high	80.5	Confident	111 Å²	111	52.6 Å²	52.6	52%	0.519	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	13.1	178.3	-52.1	-51.6	141.7	0	0	113.5	R131 D230	R131-E232 IonicContact CZ-OE1 2.77Å; R131-E232 IonicContact NE-OE1 2.74Å; R131-E232 PolarHBondContact NE-OE1 3.42Å; R131-E232 VanDerWaalsContact NE-OE1 3.11Å; R131-E232 IonicContact NH2-OE1 3.23Å; R131-E232 PolarHBondContact NH2-OE1 3.38Å; D230-E232 PolarHBondContact O-N 3.12Å
233	K	93.9	Very high	81.8	Confident	89 Å²	89	58.4 Å²	58.4	39%	0.387	31%	0.307	S	S	.	.	S	Bend	trans	-128.4	151.5	176.9	-71.8	178.1	-169.9	63.7	0	111.5	L129 G130 D230 V231 Q238	L129-K233 WeakPolarHBondContact CA-O 3.23Å; G130-K233 PolarHBondContact N-O 3.02Å; D230-K233 HydrophobicContact CB-CB 4.43Å; D230-K233 HydrophobicContact CB-CD 4.17Å; D230-K233 HydrophobicContact CB-CG 4.49Å; D230-K233 PolarHBondContact O-N 3.38Å; D230-K233 IonicContact OD1-NZ 3.49Å; D230-K233 PolarHBondContact OD1-NZ 3.21Å; D230-K233 IonicContact OD2-NZ 2.83Å; D230-K233 PolarHBondContact OD2-NZ 2.73Å; V231-K233 PolarHBondContact O-N 3.47Å; K233-Q238 HydrophobicContact CB-CG 4.28Å; K233-Q238 PolarHBondContact O-NE2 2.91Å
234	R	93.5	Very high	83.9	Confident	84 Å²	84	57.5 Å²	57.5	32%	0.317	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-58.4	140.6	173.1	-60.3	-174.9	-62.5	-163.5	3.8	110.6	F127 A128 L129 T236 D237 Q238	F127-R234 WeakPolarHBondContact O-CG 3.49Å; A128-R234 VanDerWaalsContact O-CA 3.26Å; A128-R234 WeakPolarHBondContact O-CA 3.3Å; L129-R234 HydrophobicContact CD2-CG 3.99Å; R234-T236 VanDerWaalsContact C-N 3.3Å; R234-T236 PolarHBondContact O-N 2.92Å; R234-D237 HydrophobicContact CB-CB 4.42Å; R234-D237 IonicContact CZ-OD1 2.9Å; R234-D237 IonicContact CZ-OD2 3.96Å; R234-D237 IonicContact NE-OD1 3.74Å; R234-D237 PolarHBondContact NE-OD1 3.39Å; R234-D237 IonicContact NE-OD2 3.22Å; R234-D237 PolarHBondContact NE-OD2 3.23Å; R234-D237 IonicContact NH2-OD1 2.85Å; R234-D237 PolarHBondContact NH2-OD1 2.88Å; R234-D237 IonicContact NH2-OD2 3.99Å; R234-D237 PolarHBondContact NH2-OD2 3.14Å; R234-D237 PolarHBondContact O-N 2.95Å; R234-Q238 PolarHBondContact O-NE2 2.94Å
235	I	92.4	Very high	85.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-63.6	-41	-176.6	-58.2	167.9	0	0	0	110.2	I108 L124 A128 L133 D237 Q238 C239 M244 F246	I108-I235 HydrophobicContact CD1-CB 4.24Å; I108-I235 HydrophobicContact CD1-CD1 4.41Å; I108-I235 HydrophobicContact CD1-CG2 4.44Å; L124-I235 HydrophobicContact CD1-CD1 3.77Å; A128-I235 HydrophobicContact CB-CD1 4.32Å; A128-I235 PolarHBondContact O-N 2.75Å; L133-I235 HydrophobicContact CB-CD1 3.84Å; L133-I235 HydrophobicContact CD2-CD1 4.12Å; I235-D237 VanDerWaalsContact C-N 3.25Å; I235-D237 PolarHBondContact O-N 2.95Å; I235-Q238 PolarHBondContact O-N 3.42Å; I235-Q238 VanDerWaalsContact O-N 3.16Å; I235-C239 PolarHBondContact O-N 3.46Å; I235-M244 HydrophobicContact CG2-SD 3.61Å; I235-F246 HydrophobicContact CG2-CE1 4.34Å; I235-F246 HydrophobicContact CG2-CE2 4.33Å; I235-F246 HydrophobicContact CG2-CZ 3.54Å
236	T	90.2	Very high	86.3	Confident	34 Å²	34	56.8 Å²	56.8	21%	0.209	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.7	178.6	56.6	0	0	0	0	115	I108 K126 R234 Q238 M244	I108-T236 HydrophobicContact CD1-CG2 4.34Å; I108-T236 HydrophobicContact CG2-CG2 4.47Å; K126-T236 HydrophobicContact CG-CG2 3.98Å; K126-T236 VanDerWaalsContact O-CG2 3.23Å; K126-T236 WeakPolarHBondContact O-CG2 3.26Å; R234-T236 VanDerWaalsContact C-N 3.3Å; R234-T236 PolarHBondContact O-N 2.92Å; T236-Q238 PolarHBondContact O-N 3.5Å; T236-M244 HydrophobicContact CG2-CE 4.3Å
237	D	89.1	Confident	86.8	Confident	85 Å²	85	57.6 Å²	57.6	46%	0.455	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-84.8	-6	-177.6	-61.6	-0.3	0	0	0	111.5	R234 I235	R234-D237 HydrophobicContact CB-CB 4.42Å; R234-D237 IonicContact CZ-OD1 2.9Å; R234-D237 IonicContact CZ-OD2 3.96Å; R234-D237 IonicContact NE-OD1 3.74Å; R234-D237 PolarHBondContact NE-OD1 3.39Å; R234-D237 IonicContact NE-OD2 3.22Å; R234-D237 PolarHBondContact NE-OD2 3.23Å; R234-D237 IonicContact NH2-OD1 2.85Å; R234-D237 PolarHBondContact NH2-OD1 2.88Å; R234-D237 IonicContact NH2-OD2 3.99Å; R234-D237 PolarHBondContact NH2-OD2 3.14Å; R234-D237 PolarHBondContact O-N 2.95Å; I235-D237 VanDerWaalsContact C-N 3.25Å; I235-D237 PolarHBondContact O-N 2.95Å
238	Q	89.1	Confident	87.1	Confident	24 Å²	24	56.1 Å²	56.1	11%	0.112	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-50.9	-177.2	-57.8	-177.6	72.2	0	0	110.6	D230 K233 R234 I235 T236 H240	D230-Q238 PolarHBondContact O-NE2 3.38Å; K233-Q238 HydrophobicContact CB-CG 4.28Å; K233-Q238 PolarHBondContact O-NE2 2.91Å; R234-Q238 PolarHBondContact O-NE2 2.94Å; I235-Q238 PolarHBondContact O-N 3.42Å; I235-Q238 VanDerWaalsContact O-N 3.16Å; T236-Q238 PolarHBondContact O-N 3.5Å; Q238-H240 PolarHBondContact O-ND1 3.34Å
239	C	83.4	Confident	87.1	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.074	29%	0.288	C	S	.	.			trans	-102	120.7	-174.9	-55.7	0	0	0	0	110	Y153 I235 M244 F246	Y153-C239 VanDerWaalsContact CD2-SG 3.53Å; I235-C239 PolarHBondContact O-N 3.46Å; C239-M244 HydrophobicContact CB-CE 4.46Å; C239-M244 HydrophobicContact CB-SD 4.21Å; C239-M244 WeakPolarHBondContact O-CE 3.42Å; C239-F246 HydrophobicContact CB-CZ 4.49Å; C239-F246 VanDerWaalsContact SG-CE1 3.57Å
240	H	73.1	Confident	87.2	Confident	130 Å²	130	55 Å²	55	60%	0.602	29%	0.286	S	S	*	.			trans	-109.5	107.3	-177.4	-64.9	64.8	0	0	0	109.5	A159 Q238	A159-H240 HydrophobicContact CB-CB 3.78Å; Q238-H240 PolarHBondContact O-ND1 3.34Å
241	G	68.5	Low	87.3	Confident	50 Å²	50	55.2 Å²	55.2	52%	0.515	29%	0.286	S	S	.	.	S	Bend	trans	167.3	162.9	179.8	0	0	0	0	0	112.6
242	S	56.7	Low	87.3	Confident	121 Å²	121	54.1 Å²	54.1	85%	0.846	28%	0.278	S	S	*	.	S	Bend	trans	-82.5	-25.5	177.8	50.1	0	0	0	0	113.9
243	K	68.6	Low	87.4	Confident	162 Å²	162	49.7 Å²	49.7	70%	0.704	26%	0.257	S	S	*	.	S	Bend	trans	-116.1	117.3	170.5	-67.6	-175.4	175.6	-177.5	0	108.4
244	M	86.5	Confident	87.4	Confident	17 Å²	17	45.8 Å²	45.8	8%	0.084	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.2	-179.5	-60.3	-169.2	175.6	0	0	109.4	I108 S111 I235 T236 C239 F246	I108-M244 HydrophobicContact CD1-SD 4.19Å; S111-M244 PolarHBondContact N-O 3.22Å; I235-M244 HydrophobicContact CG2-SD 3.61Å; T236-M244 HydrophobicContact CG2-CE 4.3Å; C239-M244 HydrophobicContact CB-CE 4.46Å; C239-M244 HydrophobicContact CB-SD 4.21Å; C239-M244 WeakPolarHBondContact O-CE 3.42Å; M244-F246 HydrophobicContact CB-CE2 3.55Å; M244-F246 HydrophobicContact CB-CZ 3.89Å
245	I	90.2	Very high	87.3	Confident	82 Å²	82	46.6 Å²	46.6	42%	0.421	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124	-179.3	-55.5	176.8	0	0	0	109	S111 I113 Y247	S111-I245 WeakPolarHBondContact O-CA 3.27Å; I113-I245 HydrophobicContact CD1-CG2 4.04Å; I245-Y247 HydrophobicContact CG2-CE2 3.92Å
246	F	93.7	Very high	87.3	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.9	177.7	-54.9	-85	0	0	0	110.6	C110 S111 V112 I113 L133 L151 A152 Y153 L229 I235 C239 M244	C110-F246 HydrophobicContact CB-CD2 4.35Å; C110-F246 HydrophobicContact CB-CE2 4Å; S111-F246 PolarHBondContact O-N 2.72Å; V112-F246 CarbonylContact C-O 3.58Å; V112-F246 WeakPolarHBondContact CA-O 3.23Å; V112-F246 HydrophobicContact CG1-CB 4.5Å; V112-F246 HydrophobicContact CG2-CB 4.24Å; V112-F246 HydrophobicContact CG2-CD2 4.43Å; I113-F246 PolarHBondContact N-O 3.43Å; L133-F246 HydrophobicContact CD2-CD2 3.59Å; L133-F246 HydrophobicContact CD2-CE2 3.58Å; L133-F246 HydrophobicContact CD2-CG 4.1Å; L133-F246 HydrophobicContact CD2-CZ 4.11Å; L151-F246 HydrophobicContact CB-CB 4.45Å; L151-F246 HydrophobicContact CD2-CB 4.4Å; A152-F246 CarbonylContact O-C 3.6Å; A152-F246 VanDerWaalsContact O-CA 3.3Å; A152-F246 WeakPolarHBondContact O-CA 3.49Å; Y153-F246 HydrophobicContact CG-CE1 4.49Å; L229-F246 HydrophobicContact CD1-CE1 4.09Å; L229-F246 HydrophobicContact CD2-CD1 4.38Å; L229-F246 HydrophobicContact CD2-CE1 4.17Å; I235-F246 HydrophobicContact CG2-CE1 4.34Å; I235-F246 HydrophobicContact CG2-CE2 4.33Å; I235-F246 HydrophobicContact CG2-CZ 3.54Å; C239-F246 HydrophobicContact CB-CZ 4.49Å; C239-F246 VanDerWaalsContact SG-CE1 3.57Å; M244-F246 HydrophobicContact CB-CE2 3.55Å; M244-F246 HydrophobicContact CB-CZ 3.89Å
247	Y	93.3	Very high	87.4	Confident	46 Å²	46	48.6 Å²	48.6	18%	0.18	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.7	178	-62.4	-99.2	0	0	0	107.6	I113 A152 Y154 I245	I113-Y247 HydrophobicContact CB-CD1 4.05Å; I113-Y247 HydrophobicContact CB-CE1 4.33Å; I113-Y247 HydrophobicContact CD1-CD1 4.21Å; I113-Y247 HydrophobicContact CD1-CE1 3.62Å; I113-Y247 HydrophobicContact CG2-CD1 4.34Å; A152-Y247 PolarHBondContact N-O 3.24Å; A152-Y247 PolarHBondContact O-N 3.41Å; Y154-Y247 AromaticContact CD2-CD2 3.79Å; Y154-Y247 HydrophobicContact CD2-CD2 3.79Å; Y154-Y247 AromaticContact CD2-CE2 3.56Å; Y154-Y247 HydrophobicContact CD2-CE2 3.56Å; Y154-Y247 AromaticContact CE2-CD2 3.58Å; Y154-Y247 HydrophobicContact CE2-CD2 3.58Å; Y154-Y247 AromaticContact CE2-CE2 3.62Å; Y154-Y247 HydrophobicContact CE2-CE2 3.62Å; Y154-Y247 HydrophobicContact CE2-CG 4.19Å; I245-Y247 HydrophobicContact CG2-CE2 3.92Å
248	F	95.9	Very high	87.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.3	172.3	178.3	-100.4	0	0	0	108.9	V112 I113 L115 F134 V137 L141 L143 F149 L151 Q269	V112-F248 HydrophobicContact CG1-CB 4.24Å; I113-F248 PolarHBondContact O-N 3.49Å; L115-F248 HydrophobicContact CD1-CD1 3.91Å; L115-F248 HydrophobicContact CD1-CE1 3.96Å; L115-F248 VanDerWaalsContact CD2-O 3.3Å; L115-F248 WeakPolarHBondContact CD2-O 3.4Å; L115-F248 HydrophobicContact CG-CD1 4.03Å; L115-F248 WeakPolarHBondContact CG-O 3.32Å; F134-F248 HydrophobicContact CE2-CE2 4.31Å; V137-F248 HydrophobicContact CG1-CB 4.48Å; V137-F248 HydrophobicContact CG1-CD2 3.64Å; V137-F248 HydrophobicContact CG1-CE2 4.19Å; V137-F248 HydrophobicContact CG1-CG 4.23Å; L141-F248 HydrophobicContact CD1-CD1 3.78Å; L141-F248 HydrophobicContact CD1-CD2 4.17Å; L141-F248 HydrophobicContact CD1-CE1 3.67Å; L141-F248 HydrophobicContact CD1-CE2 4.06Å; L141-F248 HydrophobicContact CD1-CG 4.03Å; L141-F248 HydrophobicContact CD1-CZ 3.82Å; L143-F248 HydrophobicContact CD1-CE1 4.43Å; L143-F248 HydrophobicContact CD1-CE2 3.89Å; L143-F248 HydrophobicContact CD1-CZ 3.43Å; L143-F248 VanDerWaalsContact CD1-CZ 3.43Å; F149-F248 HydrophobicContact CB-CE2 3.6Å; F149-F248 HydrophobicContact CB-CZ 3.56Å; F149-F248 AromaticContact CD1-CE1 3.62Å; F149-F248 HydrophobicContact CD1-CE1 3.62Å; F149-F248 HydrophobicContact CD1-CE2 4.19Å; F149-F248 AromaticContact CD1-CZ 3.27Å; F149-F248 HydrophobicContact CD1-CZ 3.27Å; F149-F248 HydrophobicContact CD2-CZ 4.32Å; F149-F248 HydrophobicContact CE1-CE1 4.09Å; F149-F248 HydrophobicContact CE1-CZ 4.01Å; F149-F248 HydrophobicContact CG-CE1 4.27Å; F149-F248 HydrophobicContact CG-CE2 4.05Å; F149-F248 AromaticContact CG-CZ 3.46Å; F149-F248 HydrophobicContact CG-CZ 3.46Å; F149-F248 VanDerWaalsContact CG-CZ 3.46Å; L151-F248 HydrophobicContact CD2-CB 4.23Å; L151-F248 HydrophobicContact CD2-CD2 4.34Å; F248-Q269 HydrophobicContact CE1-CB 4.46Å
249	Q	95.3	Very high	87.6	Confident	33 Å²	33	48.2 Å²	48.2	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	151.5	-174.3	-64.3	-176.1	6.9	0	0	111.2	F149 G150 W228 K251	F149-Q249 CarbonylContact C-O 3.53Å; F149-Q249 WeakPolarHBondContact CA-O 3.42Å; G150-Q249 PolarHBondContact N-O 2.86Å; G150-Q249 PolarHBondContact O-N 3.33Å; W228-Q249 HydrophobicContact CH2-CB 3.8Å; W228-Q249 HydrophobicContact CZ3-CB 4.01Å; Q249-K251 PolarHBondContact O-N 3.35Å
250	V	96	Very high	87.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.8	166.6	176.7	0	0	0	0	108.9	F149 F252 Y253 F270 Q273	F149-V250 HydrophobicContact CD1-CG2 3.8Å; F149-V250 HydrophobicContact CE1-CG2 3.61Å; V250-F252 WeakPolarHBondContact CG1-O 3.42Å; V250-Y253 HydrophobicContact CB-CE1 4.09Å; V250-Y253 HydrophobicContact CB-CE2 4.25Å; V250-Y253 HydrophobicContact CG1-CD1 3.98Å; V250-Y253 HydrophobicContact CG1-CD2 4.06Å; V250-Y253 HydrophobicContact CG1-CE1 3.68Å; V250-Y253 HydrophobicContact CG1-CE2 3.73Å; V250-Y253 HydrophobicContact CG1-CG 4.15Å; V250-Y253 WeakPolarHBondContact O-CE2 3.35Å; V250-Y253 PolarHBondContact O-OH 2.89Å; V250-Y253 VanDerWaalsContact O-OH 3.12Å; V250-F270 HydrophobicContact CB-CD2 4.38Å; V250-F270 HydrophobicContact CB-CE2 4.44Å; V250-F270 HydrophobicContact CG1-CD2 3.72Å; V250-F270 HydrophobicContact CG1-CE2 3.39Å; V250-F270 HydrophobicContact CG1-CZ 4.35Å; V250-F270 HydrophobicContact CG2-CD2 3.67Å; V250-F270 HydrophobicContact CG2-CE2 4.21Å; V250-F270 HydrophobicContact CG2-CG 4.34Å; V250-Q273 HydrophobicContact CB-CB 4.32Å; V250-Q273 HydrophobicContact CB-CG 3.87Å; V250-Q273 HydrophobicContact CG2-CB 3.65Å; V250-Q273 HydrophobicContact CG2-CG 3.79Å
251	K	95.2	Very high	88.8	Confident	35 Å²	35	42.8 Å²	42.8	15%	0.152	23%	0.228	C	C	.	.			trans	-92.4	-37.1	-179.9	-175.6	171.2	-177.6	-179	0	112.8	Y148 W228 Q249 E685	Y148-K251 PolarHBondContact O-N 3.41Å; W228-K251 HydrophobicContact CD2-CD 3.95Å; W228-K251 HydrophobicContact CD2-CG 4.03Å; W228-K251 HydrophobicContact CE3-CB 4.35Å; W228-K251 HydrophobicContact CE3-CD 4.06Å; W228-K251 HydrophobicContact CE3-CG 4.23Å; W228-K251 HydrophobicContact CG-CD 4.32Å; W228-K251 HydrophobicContact CH2-CB 3.68Å; W228-K251 HydrophobicContact CH2-CG 4.05Å; W228-K251 HydrophobicContact CZ2-CB 3.93Å; W228-K251 HydrophobicContact CZ2-CG 3.83Å; W228-K251 HydrophobicContact CZ3-CB 3.9Å; W228-K251 HydrophobicContact CZ3-CD 4.46Å; W228-K251 HydrophobicContact CZ3-CG 4.23Å; Q249-K251 PolarHBondContact O-N 3.35Å; K251-E685 VanDerWaalsContact CE-OE2 3.27Å; K251-E685 WeakPolarHBondContact CE-OE2 3.07Å; K251-E685 IonicContact NZ-OE2 2.73Å; K251-E685 PolarHBondContact NZ-OE2 3.38Å
252	F	95.6	Very high	89.9	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.075	23%	0.226	C	C	.	.			trans	-126.6	133.8	-178.8	-57.8	-64.6	0	0	0	111	Q147 Y148 V250 E685 H686 F689 F690	Q147-F252 WeakPolarHBondContact O-CD2 3.4Å; Y148-F252 HydrophobicContact CD1-CB 4.23Å; Y148-F252 WeakPolarHBondContact CD1-O 3.39Å; Y148-F252 PolarHBondContact O-N 2.9Å; V250-F252 WeakPolarHBondContact CG1-O 3.42Å; F252-E685 HydrophobicContact CE1-CB 4.43Å; F252-E685 HydrophobicContact CZ-CB 4.26Å; F252-H686 AromaticContact CE1-ND1 3.93Å; F252-F689 HydrophobicContact CB-CD1 3.76Å; F252-F689 HydrophobicContact CB-CE1 3.56Å; F252-F689 HydrophobicContact CB-CG 4.33Å; F252-F689 HydrophobicContact CB-CZ 3.97Å; F252-F689 HydrophobicContact CD1-CB 4.15Å; F252-F689 HydrophobicContact CD1-CD1 4.06Å; F252-F689 HydrophobicContact CD1-CG 4.03Å; F252-F689 HydrophobicContact CD2-CB 4.37Å; F252-F689 AromaticContact CD2-CD1 3.98Å; F252-F689 HydrophobicContact CD2-CD1 3.98Å; F252-F689 AromaticContact CD2-CD2 3.47Å; F252-F689 HydrophobicContact CD2-CD2 3.47Å; F252-F689 VanDerWaalsContact CD2-CD2 3.47Å; F252-F689 HydrophobicContact CD2-CE1 4.11Å; F252-F689 AromaticContact CD2-CE2 3.61Å; F252-F689 HydrophobicContact CD2-CE2 3.61Å; F252-F689 AromaticContact CD2-CG 3.66Å; F252-F689 HydrophobicContact CD2-CG 3.66Å; F252-F689 AromaticContact CD2-CZ 3.94Å; F252-F689 HydrophobicContact CD2-CZ 3.94Å; F252-F689 HydrophobicContact CE1-CB 3.94Å; F252-F689 HydrophobicContact CE1-CG 4.21Å; F252-F689 HydrophobicContact CE2-CB 4.16Å; F252-F689 AromaticContact CE2-CD2 3.57Å; F252-F689 HydrophobicContact CE2-CD2 3.57Å; F252-F689 HydrophobicContact CE2-CE2 4.09Å; F252-F689 AromaticContact CE2-CG 3.86Å; F252-F689 HydrophobicContact CE2-CG 3.86Å; F252-F689 HydrophobicContact CG-CB 4.35Å; F252-F689 AromaticContact CG-CD1 3.67Å; F252-F689 HydrophobicContact CG-CD1 3.67Å; F252-F689 HydrophobicContact CG-CD2 4.04Å; F252-F689 AromaticContact CG-CE1 3.9Å; F252-F689 HydrophobicContact CG-CE1 3.9Å; F252-F689 HydrophobicContact CG-CE2 4.25Å; F252-F689 AromaticContact CG-CG 3.74Å; F252-F689 HydrophobicContact CG-CG 3.74Å; F252-F689 HydrophobicContact CG-CZ 4.18Å; F252-F689 HydrophobicContact CZ-CB 3.94Å; F252-F689 HydrophobicContact CZ-CD2 4.21Å; F252-F689 HydrophobicContact CZ-CG 4.12Å; F252-F690 HydrophobicContact CB-CE2 4.45Å; F252-F690 HydrophobicContact CB-CZ 4.01Å; F252-F690 HydrophobicContact CD1-CE2 4.27Å
253	Y	95.5	Very high	91.6	Very high	19 Å²	19	40.3 Å²	40.3	8%	0.075	20%	0.195	C	C	.	.			trans	-112.3	105.8	-175.9	-64.7	-102	0	0	0	109.2	V250 F270 Q273 L274 H277 Y509 G510 F690	V250-Y253 HydrophobicContact CB-CE1 4.09Å; V250-Y253 HydrophobicContact CB-CE2 4.25Å; V250-Y253 HydrophobicContact CG1-CD1 3.98Å; V250-Y253 HydrophobicContact CG1-CD2 4.06Å; V250-Y253 HydrophobicContact CG1-CE1 3.68Å; V250-Y253 HydrophobicContact CG1-CE2 3.73Å; V250-Y253 HydrophobicContact CG1-CG 4.15Å; V250-Y253 WeakPolarHBondContact O-CE2 3.35Å; V250-Y253 PolarHBondContact O-OH 2.89Å; V250-Y253 VanDerWaalsContact O-OH 3.12Å; Y253-F270 HydrophobicContact CD1-CE1 4.45Å; Y253-F270 HydrophobicContact CD1-CE2 4.1Å; Y253-F270 AromaticContact CD1-CZ 3.65Å; Y253-F270 HydrophobicContact CD1-CZ 3.65Å; Y253-F270 HydrophobicContact CE1-CZ 4.37Å; Y253-F270 HydrophobicContact CG-CZ 4.29Å; Y253-Q273 HydrophobicContact CE1-CG 4.24Å; Y253-Q273 VanDerWaalsContact OH-CG 3.27Å; Y253-Q273 WeakPolarHBondContact OH-CG 3.3Å; Y253-L274 HydrophobicContact CD1-CD2 4.3Å; Y253-L274 HydrophobicContact CE1-CD2 4.05Å; Y253-H277 AromaticContact CZ-CE1 3.93Å; Y253-H277 PolarHBondContact OH-CE1 3.08Å; Y253-Y509 HydrophobicContact CD1-CE2 4.11Å; Y253-G510 VanDerWaalsContact CB-CA 3.43Å; Y253-F690 WeakPolarHBondContact O-CZ 3.38Å
254	P	93.6	Very high	92.9	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.045	19%	0.186	C	C	.	.			trans	-65.8	154	179.4	28.2	-35.6	0	0	0	111.8	Y148 H256 P257 V260 F261 F270 Y509	Y148-P254 HydrophobicContact CD1-CG 4.31Å; Y148-P254 HydrophobicContact CE1-CB 3.99Å; Y148-P254 HydrophobicContact CE1-CG 3.98Å; P254-H256 PolarHBondContact O-N 2.91Å; P254-P257 HydrophobicContact CG-CB 4.08Å; P254-P257 WeakPolarHBondContact O-CD 3.34Å; P254-V260 HydrophobicContact CB-CB 4.46Å; P254-V260 HydrophobicContact CB-CG1 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.02Å; P254-V260 HydrophobicContact CG-CB 4.25Å; P254-V260 HydrophobicContact CG-CG1 4.06Å; P254-V260 HydrophobicContact CG-CG2 4.34Å; P254-F261 HydrophobicContact CG-CE2 4.2Å; P254-F270 HydrophobicContact CG-CZ 4.43Å; P254-Y509 VanDerWaalsContact O-CE1 3.27Å; P254-Y509 WeakPolarHBondContact O-CE1 3.31Å; P254-Y509 PolarHBondContact O-OH 3.16Å
255	Q	91.7	Very high	93.3	Very high	101 Å²	101	40 Å²	40	47%	0.472	20%	0.202	S	C	.	.	S	Bend	trans	-59.9	-32.1	176.5	-174.5	177.8	-55.4	0	0	112.8	F617	Q255-F617 HydrophobicContact CB-CD2 3.84Å; Q255-F617 HydrophobicContact CB-CE2 3.67Å; Q255-F617 HydrophobicContact CB-CG 4.4Å; Q255-F617 HydrophobicContact CB-CZ 4.08Å; Q255-F617 HydrophobicContact CG-CD2 4.21Å; Q255-F617 HydrophobicContact CG-CE2 3.52Å; Q255-F617 HydrophobicContact CG-CZ 3.78Å; Q255-F617 VanDerWaalsContact OE1-CE2 3.27Å
256	H	91.4	Very high	93.6	Very high	75 Å²	75	36.1 Å²	36.1	35%	0.347	18%	0.182	S	C	.	.			trans	-132.2	73.1	-176.8	-60.6	-33.3	0	0	0	110.4	P254 D258 L259 V260	P254-H256 PolarHBondContact O-N 2.91Å; H256-D258 VanDerWaalsContact C-OD1 3.31Å; H256-D258 WeakPolarHBondContact CA-OD1 3.28Å; H256-D258 PolarHBondContact O-N 3.33Å; H256-L259 HydrophobicContact CB-CB 4.25Å; H256-L259 HydrophobicContact CB-CD1 4.03Å; H256-L259 HydrophobicContact CB-CG 4.22Å; H256-L259 PolarHBondContact O-N 2.85Å; H256-V260 WeakPolarHBondContact O-CG2 3.49Å; H256-V260 PolarHBondContact O-N 3.1Å
257	P	94.1	Very high	93.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.8	-178.6	27.5	-35.5	0	0	0	112.5	P254 L259 V260 F261 F270 L500 K504 Y509	P254-P257 HydrophobicContact CG-CB 4.08Å; P254-P257 WeakPolarHBondContact O-CD 3.34Å; P257-L259 PolarHBondContact O-N 3.19Å; P257-V260 PolarHBondContact O-N 2.83Å; P257-F261 HydrophobicContact CB-CD2 4.33Å; P257-F261 HydrophobicContact CB-CE2 4.13Å; P257-F261 WeakPolarHBondContact O-CD2 3.29Å; P257-F270 HydrophobicContact CB-CD1 4.1Å; P257-F270 HydrophobicContact CB-CE1 3.55Å; P257-F270 HydrophobicContact CB-CZ 4.09Å; P257-F270 HydrophobicContact CG-CE1 4.16Å; P257-L500 HydrophobicContact CB-CD1 4.35Å; P257-L500 HydrophobicContact CB-CD2 4.22Å; P257-L500 HydrophobicContact CG-CB 4.15Å; P257-L500 HydrophobicContact CG-CD2 4.26Å; P257-K504 HydrophobicContact CG-CB 4.3Å; P257-Y509 WeakPolarHBondContact CG-OH 3.44Å
258	D	91.9	Very high	93.9	Very high	18 Å²	18	37.8 Å²	37.8	10%	0.096	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-66.6	-8.9	173.6	55	-49.2	0	0	0	115	H256 I497 L500 K501 K504	H256-D258 VanDerWaalsContact C-OD1 3.31Å; H256-D258 WeakPolarHBondContact CA-OD1 3.28Å; H256-D258 PolarHBondContact O-N 3.33Å; D258-I497 HydrophobicContact CB-CG2 4.37Å; D258-L500 HydrophobicContact CB-CB 4.23Å; D258-K501 HydrophobicContact CB-CG 3.9Å; D258-K501 WeakPolarHBondContact OD2-CG 3.43Å; D258-K504 VanDerWaalsContact OD1-CD 3.32Å; D258-K504 WeakPolarHBondContact OD1-CD 2.94Å; D258-K504 WeakPolarHBondContact OD1-CE 3.16Å; D258-K504 IonicContact OD1-NZ 3.95Å; D258-K504 PolarHBondContact OD1-NZ 2.83Å; D258-K504 IonicContact OD2-NZ 2.67Å; D258-K504 PolarHBondContact OD2-NZ 3.29Å
259	L	90	Very high	93.9	Very high	82 Å²	82	38.4 Å²	38.4	43%	0.429	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-119.8	-2.2	177.5	-58.3	179.7	0	0	0	113.6	H256 P257 N701	H256-L259 HydrophobicContact CB-CB 4.25Å; H256-L259 HydrophobicContact CB-CD1 4.03Å; H256-L259 HydrophobicContact CB-CG 4.22Å; H256-L259 PolarHBondContact O-N 2.85Å; P257-L259 PolarHBondContact O-N 3.19Å; L259-N701 PolarHBondContact O-ND2 2.99Å
260	V	89.1	Confident	94	Very high	21 Å²	21	36.8 Å²	36.8	13%	0.127	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-30.5	-169	163	0	0	0	0	113.4	Y148 P254 H256 P257	Y148-V260 HydrophobicContact CD2-CG1 4.28Å; Y148-V260 HydrophobicContact CE1-CG1 4.17Å; Y148-V260 HydrophobicContact CE2-CG1 3.41Å; Y148-V260 VanDerWaalsContact CE2-CG1 3.41Å; Y148-V260 VanDerWaalsContact OH-CG1 3.31Å; Y148-V260 WeakPolarHBondContact OH-CG1 3.27Å; P254-V260 HydrophobicContact CB-CB 4.46Å; P254-V260 HydrophobicContact CB-CG1 4.36Å; P254-V260 HydrophobicContact CB-CG2 4.02Å; P254-V260 HydrophobicContact CG-CB 4.25Å; P254-V260 HydrophobicContact CG-CG1 4.06Å; P254-V260 HydrophobicContact CG-CG2 4.34Å; H256-V260 WeakPolarHBondContact O-CG2 3.49Å; H256-V260 PolarHBondContact O-N 3.1Å; P257-V260 PolarHBondContact O-N 2.83Å
261	F	92.3	Very high	94	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.031	18%	0.184	C	C	.	.			trans	-102	90.2	-179.2	-60.2	-71.8	0	0	0	111.3	E145 Y148 F149 P254 P257 R267 F270	E145-F261 HydrophobicContact CB-CD1 3.94Å; E145-F261 HydrophobicContact CB-CE1 4.03Å; E145-F261 HydrophobicContact CG-CD1 4.15Å; E145-F261 WeakPolarHBondContact OE1-CA 3.27Å; Y148-F261 HydrophobicContact CD1-CZ 4.41Å; Y148-F261 AromaticContact CD2-CE1 3.52Å; Y148-F261 HydrophobicContact CD2-CE1 3.52Å; Y148-F261 AromaticContact CD2-CZ 3.81Å; Y148-F261 HydrophobicContact CD2-CZ 3.81Å; Y148-F261 HydrophobicContact CE2-CE1 4.23Å; Y148-F261 HydrophobicContact CE2-CZ 4.47Å; Y148-F261 AromaticContact CG-CE1 3.93Å; Y148-F261 HydrophobicContact CG-CE1 3.93Å; Y148-F261 AromaticContact CG-CZ 3.79Å; Y148-F261 HydrophobicContact CG-CZ 3.79Å; F149-F261 HydrophobicContact CE2-CE1 4.19Å; F149-F261 HydrophobicContact CZ-CE1 4.37Å; P254-F261 HydrophobicContact CG-CE2 4.2Å; P257-F261 HydrophobicContact CB-CD2 4.33Å; P257-F261 HydrophobicContact CB-CE2 4.13Å; P257-F261 WeakPolarHBondContact O-CD2 3.29Å; F261-R267 HydrophobicContact CB-CB 3.63Å; F261-R267 HydrophobicContact CB-CG 3.96Å; F261-R267 HydrophobicContact CG-CB 4.44Å; F261-R267 PolarHBondContact O-NH1 2.81Å; F261-F270 HydrophobicContact CD2-CB 4.34Å; F261-F270 HydrophobicContact CD2-CD2 4.48Å; F261-F270 HydrophobicContact CD2-CG 4.25Å; F261-F270 HydrophobicContact CE1-CD2 4.39Å; F261-F270 HydrophobicContact CE2-CB 3.95Å; F261-F270 AromaticContact CE2-CD1 3.93Å; F261-F270 HydrophobicContact CE2-CD1 3.93Å; F261-F270 AromaticContact CE2-CD2 3.37Å; F261-F270 HydrophobicContact CE2-CD2 3.37Å; F261-F270 HydrophobicContact CE2-CE1 4.23Å; F261-F270 AromaticContact CE2-CE2 3.71Å; F261-F270 HydrophobicContact CE2-CE2 3.71Å; F261-F270 AromaticContact CE2-CG 3.48Å; F261-F270 HydrophobicContact CE2-CG 3.48Å; F261-F270 VanDerWaalsContact CE2-CG 3.48Å; F261-F270 HydrophobicContact CE2-CZ 4.15Å; F261-F270 HydrophobicContact CZ-CB 4.22Å; F261-F270 AromaticContact CZ-CD2 3.31Å; F261-F270 HydrophobicContact CZ-CD2 3.31Å; F261-F270 AromaticContact CZ-CE2 3.72Å; F261-F270 HydrophobicContact CZ-CE2 3.72Å; F261-F270 AromaticContact CZ-CG 3.85Å; F261-F270 HydrophobicContact CZ-CG 3.85Å
262	D	90.7	Very high	93.9	Very high	88 Å²	88	35.4 Å²	35.4	47%	0.471	18%	0.178	S	C	.	.			trans	-73.5	-39.7	171.6	-70.4	-49.2	0	0	0	109.6	E145 P264 R267 R705	E145-D262 PolarHBondContact OE1-N 3.05Å; D262-P264 WeakPolarHBondContact O-CD 3.17Å; D262-R267 PolarHBondContact O-NH1 2.69Å; D262-R705 IonicContact OD1-NH2 2.72Å; D262-R705 PolarHBondContact OD1-NH2 3.14Å
263	C	94.1	Very high	93.9	Very high	30 Å²	30	34.8 Å²	34.8	20%	0.203	18%	0.175	C	C	.	.	S	Bend	trans	-64.6	123.7	174.5	-175.9	0	0	0	0	111.6	E145 K265 R267	E145-C263 PolarHBondContact OE1-N 3.29Å; E145-C263 WeakPolarHBondContact OE2-CB 3.25Å; C263-K265 VanDerWaalsContact C-N 3.33Å; C263-K265 PolarHBondContact O-N 3.43Å; C263-R267 PolarHBondContact O-N 3.28Å; C263-R267 VanDerWaalsContact O-N 3.11Å
264	P	95	Very high	93.8	Very high	80 Å²	80	33.9 Å²	33.9	52%	0.519	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-37.9	178.4	-24.9	35	0	0	0	114	D262 R267 Y268	D262-P264 WeakPolarHBondContact O-CD 3.17Å; P264-R267 PolarHBondContact O-N 3.17Å; P264-Y268 WeakPolarHBondContact O-CB 3.38Å; P264-Y268 PolarHBondContact O-N 3Å
265	K	95.3	Very high	93.7	Very high	93 Å²	93	36.1 Å²	36.1	40%	0.404	18%	0.179	S	C	.	.	H	α-helix	trans	-67.9	-44.9	-176.9	-69.2	-179.1	177.5	176.1	0	111.5	E142 C263 R267 Y268 Q269	E142-K265 HydrophobicContact CB-CD 3.67Å; E142-K265 IonicContact OE1-NZ 3.97Å; E142-K265 PolarHBondContact OE1-NZ 3.1Å; E142-K265 IonicContact OE2-NZ 2.74Å; E142-K265 PolarHBondContact OE2-NZ 2.96Å; C263-K265 VanDerWaalsContact C-N 3.33Å; C263-K265 PolarHBondContact O-N 3.43Å; K265-R267 PolarHBondContact O-N 3.02Å; K265-Y268 PolarHBondContact O-N 3.47Å; K265-Q269 VanDerWaalsContact O-CG 3.28Å; K265-Q269 WeakPolarHBondContact O-CG 3.38Å; K265-Q269 PolarHBondContact O-N 3.44Å
266	S	96.4	Very high	93.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-45.5	172.2	-44.8	0	0	0	0	112.4	G144 E145 Y268 Q269 F270	G144-S266 PolarHBondContact N-OG 3.48Å; E145-S266 PolarHBondContact N-OG 3.16Å; E145-S266 WeakPolarHBondContact OE2-CB 3.46Å; E145-S266 PolarHBondContact OE2-OG 3.37Å; S266-Y268 PolarHBondContact O-N 2.96Å; S266-Q269 PolarHBondContact O-N 2.86Å; S266-F270 WeakPolarHBondContact O-CB 3.48Å; S266-F270 PolarHBondContact O-N 3.34Å
267	R	96.7	Very high	93	Very high	14 Å²	14	32.5 Å²	32.5	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-44.6	179.9	-165.8	173.3	55.8	-99.9	-11.2	111.6	F261 D262 C263 P264 K265 F270 C271 E496 L500	F261-R267 HydrophobicContact CB-CB 3.63Å; F261-R267 HydrophobicContact CB-CG 3.96Å; F261-R267 HydrophobicContact CG-CB 4.44Å; F261-R267 PolarHBondContact O-NH1 2.81Å; D262-R267 PolarHBondContact O-NH1 2.69Å; C263-R267 PolarHBondContact O-N 3.28Å; C263-R267 VanDerWaalsContact O-N 3.11Å; P264-R267 PolarHBondContact O-N 3.17Å; K265-R267 PolarHBondContact O-N 3.02Å; R267-F270 WeakPolarHBondContact O-CB 3.44Å; R267-F270 PolarHBondContact O-N 3.42Å; R267-C271 PolarHBondContact O-N 2.96Å; R267-C271 PolarHBondContact O-SG 2.8Å; R267-C271 VanDerWaalsContact O-SG 3.37Å; R267-E496 IonicContact CZ-OE2 3.68Å; R267-E496 VanDerWaalsContact CZ-OE2 3.23Å; R267-E496 IonicContact NE-OE2 2.69Å; R267-E496 PolarHBondContact NE-OE2 2.83Å; R267-E496 IonicContact NH2-OE2 3.86Å; R267-E496 PolarHBondContact NH2-OE2 2.86Å; R267-L500 HydrophobicContact CG-CD1 3.63Å
268	Y	95.7	Very high	92.6	Very high	68 Å²	68	32.6 Å²	32.6	27%	0.267	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-44	176.6	-174.9	-107.8	0	0	0	112	P264 K265 S266 F270 C271 L272	P264-Y268 WeakPolarHBondContact O-CB 3.38Å; P264-Y268 PolarHBondContact O-N 3Å; K265-Y268 PolarHBondContact O-N 3.47Å; S266-Y268 PolarHBondContact O-N 2.96Å; Y268-F270 VanDerWaalsContact C-N 3.29Å; Y268-F270 PolarHBondContact O-N 2.92Å; Y268-C271 CarbonylContact O-C 3.45Å; Y268-C271 WeakPolarHBondContact O-CA 3.17Å; Y268-C271 WeakPolarHBondContact O-CB 3.27Å; Y268-C271 PolarHBondContact O-N 2.86Å; Y268-C271 VanDerWaalsContact O-N 3.09Å; Y268-L272 HydrophobicContact CD1-CD1 3.94Å; Y268-L272 HydrophobicContact CD1-CG 4.19Å; Y268-L272 HydrophobicContact CE1-CD1 3.66Å; Y268-L272 HydrophobicContact CE1-CD2 4.04Å; Y268-L272 HydrophobicContact CE1-CG 3.91Å; Y268-L272 WeakPolarHBondContact O-CG 3.27Å; Y268-L272 PolarHBondContact O-N 2.91Å
269	Q	96	Very high	92	Very high	15 Å²	15	33.4 Å²	33.4	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-38.3	173.6	-68.3	-69.2	-22.1	0	0	112.2	L115 L143 F149 F248 K265 S266 L272 Q273	L115-Q269 HydrophobicContact CD1-CB 4.49Å; L115-Q269 WeakPolarHBondContact CD1-O 3.4Å; L143-Q269 HydrophobicContact CD2-CG 4.06Å; F149-Q269 HydrophobicContact CE1-CB 3.91Å; F149-Q269 HydrophobicContact CZ-CB 4.15Å; F248-Q269 HydrophobicContact CE1-CB 4.46Å; K265-Q269 VanDerWaalsContact O-CG 3.28Å; K265-Q269 WeakPolarHBondContact O-CG 3.38Å; K265-Q269 PolarHBondContact O-N 3.44Å; S266-Q269 PolarHBondContact O-N 2.86Å; Q269-L272 PolarHBondContact O-N 3.37Å; Q269-Q273 PolarHBondContact O-N 2.78Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å
270	F	96.8	Very high	91.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.2	-39.4	173.9	-161.1	-89.1	0	0	0	112	V250 Y253 P254 P257 F261 S266 R267 Y268 Q273 L274 L500 Y509	V250-F270 HydrophobicContact CB-CD2 4.38Å; V250-F270 HydrophobicContact CB-CE2 4.44Å; V250-F270 HydrophobicContact CG1-CD2 3.72Å; V250-F270 HydrophobicContact CG1-CE2 3.39Å; V250-F270 HydrophobicContact CG1-CZ 4.35Å; V250-F270 HydrophobicContact CG2-CD2 3.67Å; V250-F270 HydrophobicContact CG2-CE2 4.21Å; V250-F270 HydrophobicContact CG2-CG 4.34Å; Y253-F270 HydrophobicContact CD1-CE1 4.45Å; Y253-F270 HydrophobicContact CD1-CE2 4.1Å; Y253-F270 AromaticContact CD1-CZ 3.65Å; Y253-F270 HydrophobicContact CD1-CZ 3.65Å; Y253-F270 HydrophobicContact CE1-CZ 4.37Å; Y253-F270 HydrophobicContact CG-CZ 4.29Å; P254-F270 HydrophobicContact CG-CZ 4.43Å; P257-F270 HydrophobicContact CB-CD1 4.1Å; P257-F270 HydrophobicContact CB-CE1 3.55Å; P257-F270 HydrophobicContact CB-CZ 4.09Å; P257-F270 HydrophobicContact CG-CE1 4.16Å; F261-F270 HydrophobicContact CD2-CB 4.34Å; F261-F270 HydrophobicContact CD2-CD2 4.48Å; F261-F270 HydrophobicContact CD2-CG 4.25Å; F261-F270 HydrophobicContact CE1-CD2 4.39Å; F261-F270 HydrophobicContact CE2-CB 3.95Å; F261-F270 AromaticContact CE2-CD1 3.93Å; F261-F270 HydrophobicContact CE2-CD1 3.93Å; F261-F270 AromaticContact CE2-CD2 3.37Å; F261-F270 HydrophobicContact CE2-CD2 3.37Å; F261-F270 HydrophobicContact CE2-CE1 4.23Å; F261-F270 AromaticContact CE2-CE2 3.71Å; F261-F270 HydrophobicContact CE2-CE2 3.71Å; F261-F270 AromaticContact CE2-CG 3.48Å; F261-F270 HydrophobicContact CE2-CG 3.48Å; F261-F270 VanDerWaalsContact CE2-CG 3.48Å; F261-F270 HydrophobicContact CE2-CZ 4.15Å; F261-F270 HydrophobicContact CZ-CB 4.22Å; F261-F270 AromaticContact CZ-CD2 3.31Å; F261-F270 HydrophobicContact CZ-CD2 3.31Å; F261-F270 AromaticContact CZ-CE2 3.72Å; F261-F270 HydrophobicContact CZ-CE2 3.72Å; F261-F270 AromaticContact CZ-CG 3.85Å; F261-F270 HydrophobicContact CZ-CG 3.85Å; S266-F270 WeakPolarHBondContact O-CB 3.48Å; S266-F270 PolarHBondContact O-N 3.34Å; R267-F270 WeakPolarHBondContact O-CB 3.44Å; R267-F270 PolarHBondContact O-N 3.42Å; Y268-F270 VanDerWaalsContact C-N 3.29Å; Y268-F270 PolarHBondContact O-N 2.92Å; F270-Q273 PolarHBondContact O-N 2.84Å; F270-L274 HydrophobicContact CD1-CD1 3.78Å; F270-L274 HydrophobicContact CD1-CG 4.37Å; F270-L274 HydrophobicContact CE1-CD1 3.71Å; F270-L274 HydrophobicContact CE1-CG 4.33Å; F270-L274 WeakPolarHBondContact O-CG 3.31Å; F270-L274 PolarHBondContact O-N 3.16Å; F270-L500 HydrophobicContact CD1-CD2 3.67Å; F270-L500 HydrophobicContact CE1-CD2 4.11Å; F270-Y509 HydrophobicContact CE1-CE2 4.21Å; F270-Y509 HydrophobicContact CZ-CE2 4.36Å; F270-Y509 WeakPolarHBondContact CZ-OH 3.37Å
271	C	96.6	Very high	90.4	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-42.7	171.3	-69.1	0	0	0	0	112.3	R267 Y268 Q273 L274 R275 M300 F499	R267-C271 PolarHBondContact O-N 2.96Å; R267-C271 PolarHBondContact O-SG 2.8Å; R267-C271 VanDerWaalsContact O-SG 3.37Å; Y268-C271 CarbonylContact O-C 3.45Å; Y268-C271 WeakPolarHBondContact O-CA 3.17Å; Y268-C271 WeakPolarHBondContact O-CB 3.27Å; Y268-C271 PolarHBondContact O-N 2.86Å; Y268-C271 VanDerWaalsContact O-N 3.09Å; C271-Q273 PolarHBondContact O-N 2.79Å; C271-L274 PolarHBondContact O-N 2.84Å; C271-R275 PolarHBondContact O-N 2.94Å; C271-M300 HydrophobicContact CB-SD 4.28Å; C271-F499 HydrophobicContact CB-CD1 4.19Å; C271-F499 HydrophobicContact CB-CE1 4.15Å
272	L	94.3	Very high	89.7	Confident	4 Å²	4	37 Å²	37	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-44.2	177	-69.9	176.5	0	0	0	112.3	L115 D116 Y268 Q269 L274 R275 H276	L115-L272 HydrophobicContact CB-CB 3.84Å; L115-L272 HydrophobicContact CB-CD1 4.25Å; D116-L272 HydrophobicContact CB-CD1 4.04Å; Y268-L272 HydrophobicContact CD1-CD1 3.94Å; Y268-L272 HydrophobicContact CD1-CG 4.19Å; Y268-L272 HydrophobicContact CE1-CD1 3.66Å; Y268-L272 HydrophobicContact CE1-CD2 4.04Å; Y268-L272 HydrophobicContact CE1-CG 3.91Å; Y268-L272 WeakPolarHBondContact O-CG 3.27Å; Y268-L272 PolarHBondContact O-N 2.91Å; Q269-L272 PolarHBondContact O-N 3.37Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 2.96Å; L272-R275 PolarHBondContact O-N 2.83Å; L272-H276 WeakPolarHBondContact O-CB 3.5Å; L272-H276 PolarHBondContact O-N 2.99Å
273	Q	94	Very high	89.3	Confident	4 Å²	4	33 Å²	33	2%	0.019	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-44.6	174.2	-178.9	82.3	54.4	0	0	111.8	L115 V250 Y253 Q269 F270 C271 H276 H277	L115-Q273 HydrophobicContact CD1-CB 4.05Å; L115-Q273 HydrophobicContact CD2-CB 4.33Å; L115-Q273 VanDerWaalsContact CD2-OE1 3.29Å; V250-Q273 HydrophobicContact CB-CB 4.32Å; V250-Q273 HydrophobicContact CB-CG 3.87Å; V250-Q273 HydrophobicContact CG2-CB 3.65Å; V250-Q273 HydrophobicContact CG2-CG 3.79Å; Y253-Q273 HydrophobicContact CE1-CG 4.24Å; Y253-Q273 VanDerWaalsContact OH-CG 3.27Å; Y253-Q273 WeakPolarHBondContact OH-CG 3.3Å; Q269-Q273 PolarHBondContact O-N 2.78Å; Q269-Q273 VanDerWaalsContact O-N 3.11Å; F270-Q273 PolarHBondContact O-N 2.84Å; C271-Q273 PolarHBondContact O-N 2.79Å; Q273-H276 PolarHBondContact O-N 2.77Å; Q273-H277 PolarHBondContact NE2-NE2 2.83Å; Q273-H277 WeakPolarHBondContact O-CB 3.3Å; Q273-H277 PolarHBondContact O-N 2.83Å
274	L	94	Very high	88.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-71.2	-36.2	-179.1	-63.6	172.4	0	0	0	111.7	Y253 F270 C271 L272 H276 H277 L278 L283 F499 L500 V503 Y509	Y253-L274 HydrophobicContact CD1-CD2 4.3Å; Y253-L274 HydrophobicContact CE1-CD2 4.05Å; F270-L274 HydrophobicContact CD1-CD1 3.78Å; F270-L274 HydrophobicContact CD1-CG 4.37Å; F270-L274 HydrophobicContact CE1-CD1 3.71Å; F270-L274 HydrophobicContact CE1-CG 4.33Å; F270-L274 WeakPolarHBondContact O-CG 3.31Å; F270-L274 PolarHBondContact O-N 3.16Å; C271-L274 PolarHBondContact O-N 2.84Å; L272-L274 VanDerWaalsContact C-N 3.32Å; L272-L274 PolarHBondContact O-N 2.96Å; L274-H276 VanDerWaalsContact C-N 3.34Å; L274-H277 PolarHBondContact O-N 2.76Å; L274-L278 PolarHBondContact O-N 3.41Å; L274-L283 HydrophobicContact CB-CD1 4.12Å; L274-L283 HydrophobicContact CD2-CD1 3.93Å; L274-L283 WeakPolarHBondContact O-CD1 3.24Å; L274-F499 HydrophobicContact CB-CE1 3.8Å; L274-F499 HydrophobicContact CB-CZ 3.98Å; L274-F499 HydrophobicContact CD1-CE1 4.24Å; L274-L500 HydrophobicContact CD1-CD2 3.6Å; L274-V503 HydrophobicContact CB-CG1 4.3Å; L274-V503 HydrophobicContact CD1-CB 4.25Å; L274-V503 HydrophobicContact CD1-CG1 3.84Å; L274-V503 HydrophobicContact CD2-CG1 3.93Å; L274-V503 HydrophobicContact CG-CG1 4.24Å; L274-Y509 HydrophobicContact CD1-CE2 4.35Å; L274-Y509 HydrophobicContact CD2-CD2 4.05Å; L274-Y509 HydrophobicContact CD2-CE2 3.99Å
275	R	91.8	Very high	88	Confident	54 Å²	54	31.3 Å²	31.3	20%	0.204	15%	0.151	C	C	.	.	H	α-helix	trans	-59	-45.7	169.3	-175.3	179.5	73.6	-176	0.9	110.9	C271 L272 L278 S279 I297 D301	C271-R275 PolarHBondContact O-N 2.94Å; L272-R275 PolarHBondContact O-N 2.83Å; R275-L278 WeakPolarHBondContact O-CB 3.48Å; R275-L278 PolarHBondContact O-N 3.11Å; R275-S279 PolarHBondContact O-N 3.49Å; R275-I297 HydrophobicContact CB-CD1 4.42Å; R275-I297 HydrophobicContact CG-CD1 4.01Å; R275-I297 HydrophobicContact CG-CG1 4.39Å; R275-I297 HydrophobicContact CG-CG2 4.25Å; R275-D301 IonicContact CZ-OD1 3.67Å; R275-D301 IonicContact CZ-OD2 2.7Å; R275-D301 IonicContact NH1-OD1 3.65Å; R275-D301 PolarHBondContact NH1-OD1 2.86Å; R275-D301 IonicContact NH1-OD2 3.39Å; R275-D301 PolarHBondContact NH1-OD2 2.72Å
276	H	85.1	Confident	87.6	Confident	85 Å²	85	30 Å²	30	39%	0.394	15%	0.154	S	C	.	.	H	α-helix	trans	-62.7	-42.4	175.1	179.3	69.2	0	0	0	112.1	L272 Q273 L274 L278 S279 I280	L272-H276 WeakPolarHBondContact O-CB 3.5Å; L272-H276 PolarHBondContact O-N 2.99Å; Q273-H276 PolarHBondContact O-N 2.77Å; L274-H276 VanDerWaalsContact C-N 3.34Å; H276-L278 VanDerWaalsContact C-N 3.31Å; H276-L278 PolarHBondContact O-N 3.47Å; H276-S279 WeakPolarHBondContact CA-OG 3.37Å; H276-S279 PolarHBondContact O-N 2.97Å; H276-S279 VanDerWaalsContact O-N 3.14Å; H276-S279 PolarHBondContact O-OG 3.29Å; H276-I280 WeakPolarHBondContact O-CG1 3.4Å; H276-I280 PolarHBondContact O-N 3Å
277	H	84	Confident	87.2	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-31.1	175	-75.6	-175.3	0	0	0	113.6	Y253 Q273 L274 G281 R282 L283	Y253-H277 AromaticContact CZ-CE1 3.93Å; Y253-H277 PolarHBondContact OH-CE1 3.08Å; Q273-H277 PolarHBondContact NE2-NE2 2.83Å; Q273-H277 WeakPolarHBondContact O-CB 3.3Å; Q273-H277 PolarHBondContact O-N 2.83Å; L274-H277 PolarHBondContact O-N 2.76Å; H277-G281 CarbonylContact O-C 3.54Å; H277-G281 PolarHBondContact O-N 2.93Å; H277-R282 HydrophobicContact CB-CB 4.29Å; H277-R282 PolarHBondContact O-N 3.23Å; H277-L283 HydrophobicContact CB-CB 4.5Å; H277-L283 HydrophobicContact CB-CD1 3.69Å; H277-L283 HydrophobicContact CB-CG 3.75Å; H277-L283 PolarHBondContact O-N 3.11Å
278	L	84.6	Confident	86.8	Confident	3 Å²	3	36.9 Å²	36.9	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-70.5	-40.1	170.5	-171.3	68.2	0	0	0	110.8	L274 R275 H276 G281 L283 L293 I297	L274-L278 PolarHBondContact O-N 3.41Å; R275-L278 WeakPolarHBondContact O-CB 3.48Å; R275-L278 PolarHBondContact O-N 3.11Å; H276-L278 VanDerWaalsContact C-N 3.31Å; H276-L278 PolarHBondContact O-N 3.47Å; L278-G281 PolarHBondContact O-N 3.36Å; L278-G281 VanDerWaalsContact O-N 3.13Å; L278-L283 HydrophobicContact CD1-CB 4.45Å; L278-L293 HydrophobicContact CD1-CD1 4.36Å; L278-L293 HydrophobicContact CD2-CB 4.1Å; L278-L293 HydrophobicContact CD2-CD1 4.41Å; L278-I297 HydrophobicContact CD2-CD1 3.88Å
279	S	79.4	Confident	86.6	Confident	35 Å²	35	35 Å²	35	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-35.7	-178.8	68	0	0	0	0	113.9	R275 H276 G281 H413	R275-S279 PolarHBondContact O-N 3.49Å; H276-S279 WeakPolarHBondContact CA-OG 3.37Å; H276-S279 PolarHBondContact O-N 2.97Å; H276-S279 VanDerWaalsContact O-N 3.14Å; H276-S279 PolarHBondContact O-OG 3.29Å; S279-G281 PolarHBondContact O-N 3.15Å; S279-H413 VanDerWaalsContact CA-CG 3.48Å; S279-H413 VanDerWaalsContact CB-ND1 3.28Å; S279-H413 WeakPolarHBondContact CB-ND1 3.49Å; S279-H413 VanDerWaalsContact O-CB 3.23Å; S279-H413 WeakPolarHBondContact O-CB 3.49Å
280	I	74.6	Confident	86.3	Confident	74 Å²	74	34.8 Å²	34.8	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6.7	171.6	74.2	-175.1	0	0	0	112.7	H276 R282 W463	H276-I280 WeakPolarHBondContact O-CG1 3.4Å; H276-I280 PolarHBondContact O-N 3Å; I280-R282 HydrophobicContact CD1-CB 4.13Å; I280-R282 HydrophobicContact CG1-CB 3.86Å; I280-R282 PolarHBondContact O-N 3.1Å; I280-R282 VanDerWaalsContact O-N 3.15Å; I280-W463 VanDerWaalsContact O-CH2 3.28Å; I280-W463 WeakPolarHBondContact O-CH2 3.42Å; I280-W463 WeakPolarHBondContact O-CZ2 3.33Å
281	G	70.7	Confident	86.1	Confident	18 Å²	18	34.9 Å²	34.9	19%	0.186	18%	0.18	C	C	.	.	S	Bend	trans	75.5	-12.2	178.9	0	0	0	0	0	116.5	H277 L278 S279 L283 L284 W463	H277-G281 CarbonylContact O-C 3.54Å; H277-G281 PolarHBondContact O-N 2.93Å; L278-G281 PolarHBondContact O-N 3.36Å; L278-G281 VanDerWaalsContact O-N 3.13Å; S279-G281 PolarHBondContact O-N 3.15Å; G281-L283 CarbonylContact O-C 3.33Å; G281-L283 PolarHBondContact O-N 2.84Å; G281-L284 PolarHBondContact O-N 3.41Å; G281-W463 WeakPolarHBondContact O-CZ3 3.24Å
282	R	77	Confident	86	Confident	94 Å²	94	37.7 Å²	37.7	36%	0.355	19%	0.194	S	C	.	.			trans	-51.2	-32.2	-177.5	-175.5	178.1	-176.1	138.6	-5.5	113.8	H277 I280 L284 V511	H277-R282 HydrophobicContact CB-CB 4.29Å; H277-R282 PolarHBondContact O-N 3.23Å; I280-R282 HydrophobicContact CD1-CB 4.13Å; I280-R282 HydrophobicContact CG1-CB 3.86Å; I280-R282 PolarHBondContact O-N 3.1Å; I280-R282 VanDerWaalsContact O-N 3.15Å; R282-L284 PolarHBondContact O-N 3.36Å; R282-V511 PolarHBondContact NE-O 3.42Å; R282-V511 PolarHBondContact NH2-O 3.19Å
283	L	82.5	Confident	86	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	-88.6	88.8	165.8	-74.5	169.8	0	0	0	110.2	L274 H277 L278 G281 C285 V503 L506	L274-L283 HydrophobicContact CB-CD1 4.12Å; L274-L283 HydrophobicContact CD2-CD1 3.93Å; L274-L283 WeakPolarHBondContact O-CD1 3.24Å; H277-L283 HydrophobicContact CB-CB 4.5Å; H277-L283 HydrophobicContact CB-CD1 3.69Å; H277-L283 HydrophobicContact CB-CG 3.75Å; H277-L283 PolarHBondContact O-N 3.11Å; L278-L283 HydrophobicContact CD1-CB 4.45Å; G281-L283 CarbonylContact O-C 3.33Å; G281-L283 PolarHBondContact O-N 2.84Å; L283-C285 PolarHBondContact O-N 2.89Å; L283-V503 HydrophobicContact CD1-CG1 3.75Å; L283-V503 HydrophobicContact CD2-CG1 4.27Å; L283-L506 HydrophobicContact CB-CD1 3.93Å; L283-L506 HydrophobicContact CD2-CB 4.5Å; L283-L506 HydrophobicContact CD2-CD1 4.17Å; L283-L506 HydrophobicContact CG-CD1 4.45Å
284	L	79.1	Confident	85.9	Confident	42 Å²	42	37.4 Å²	37.4	22%	0.22	19%	0.193	C	C	.	.			trans	-64.2	126.6	170.8	-65.5	174.6	0	0	0	110.4	G281 R282 W463 P464 F508 H626	G281-L284 PolarHBondContact O-N 3.41Å; R282-L284 PolarHBondContact O-N 3.36Å; L284-W463 HydrophobicContact CD2-CE3 4.24Å; L284-W463 HydrophobicContact CD2-CZ3 3.88Å; L284-P464 HydrophobicContact CD2-CG 4.39Å; L284-F508 HydrophobicContact CB-CD2 4.2Å; L284-F508 HydrophobicContact CD1-CD2 3.92Å; L284-F508 HydrophobicContact CD1-CE2 3.92Å; L284-F508 HydrophobicContact CG-CD2 4.4Å; L284-H626 HydrophobicContact CD1-CB 4.48Å
285	C	84.5	Confident	85.9	Confident	33 Å²	33	37.4 Å²	37.4	22%	0.223	19%	0.193	C	C	.	.			trans	-139.1	165.5	175.7	69.4	0	0	0	0	110.8	L283 T289 L506	L283-C285 PolarHBondContact O-N 2.89Å; C285-T289 HydrophobicContact CB-CG2 4.02Å; C285-L506 HydrophobicContact CB-CD1 3.99Å; C285-L506 HydrophobicContact CB-CD2 3.51Å; C285-L506 HydrophobicContact CB-CG 4.43Å
286	S	87.1	Confident	86.1	Confident	66 Å²	66	35 Å²	35	46%	0.462	18%	0.184	S	C	.	.			trans	-71.4	165	169.4	74.3	0	0	0	0	110.7	E288 T289 H290	S286-E288 VanDerWaalsContact C-N 3.33Å; S286-E288 PolarHBondContact O-N 3.07Å; S286-T289 PolarHBondContact O-N 3.24Å; S286-T289 PolarHBondContact OG-N 3.46Å; S286-T289 VanDerWaalsContact OG-N 3.11Å; S286-T289 PolarHBondContact OG-OG1 3.33Å; S286-H290 PolarHBondContact O-N 3.09Å
287	F	85.9	Confident	86.6	Confident	78 Å²	78	31 Å²	31	34%	0.342	17%	0.165	S	C	.	.	H	α-helix	trans	-56	-45.9	174.5	178.1	-90.2	0	0	0	112.2	H290 V291 V475 L476	F287-H290 WeakPolarHBondContact O-CA 3.31Å; F287-H290 VanDerWaalsContact O-CB 3.29Å; F287-H290 WeakPolarHBondContact O-CB 3.42Å; F287-H290 PolarHBondContact O-N 2.98Å; F287-H290 VanDerWaalsContact O-N 3.11Å; F287-V291 HydrophobicContact CD1-CG2 4.4Å; F287-V291 HydrophobicContact CE1-CG2 4.11Å; F287-V291 PolarHBondContact O-N 3.3Å; F287-V475 HydrophobicContact CZ-CG1 4.24Å; F287-L476 HydrophobicContact CE2-CB 3.89Å; F287-L476 HydrophobicContact CE2-CD1 4.07Å; F287-L476 HydrophobicContact CE2-CD2 4.46Å; F287-L476 HydrophobicContact CE2-CG 4.36Å; F287-L476 HydrophobicContact CZ-CB 4.1Å; F287-L476 HydrophobicContact CZ-CD1 4.19Å
288	E	89.6	Confident	87	Confident	79 Å²	79	30.3 Å²	30.3	37%	0.369	16%	0.162	S	C	.	.	H	α-helix	trans	-72.1	-34	-178.8	-158.3	59.7	-148	0	0	112.1	S286 H290 V291 I292 R479	S286-E288 VanDerWaalsContact C-N 3.33Å; S286-E288 PolarHBondContact O-N 3.07Å; E288-H290 VanDerWaalsContact C-N 3.25Å; E288-H290 PolarHBondContact O-N 2.92Å; E288-V291 WeakPolarHBondContact O-CB 3.3Å; E288-V291 PolarHBondContact O-N 3.09Å; E288-I292 WeakPolarHBondContact O-CG1 3.32Å; E288-I292 PolarHBondContact O-N 3.48Å; E288-R479 IonicContact OE2-CZ 3.48Å; E288-R479 IonicContact OE2-NH1 3.69Å; E288-R479 PolarHBondContact OE2-NH1 3.28Å
289	T	91	Very high	87.5	Confident	30 Å²	30	30.3 Å²	30.3	18%	0.184	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-32.8	169.3	-54.8	0	0	0	0	111.3	C285 S286 I292 L293 L506	C285-T289 HydrophobicContact CB-CG2 4.02Å; S286-T289 PolarHBondContact O-N 3.24Å; S286-T289 PolarHBondContact OG-N 3.46Å; S286-T289 VanDerWaalsContact OG-N 3.11Å; S286-T289 PolarHBondContact OG-OG1 3.33Å; T289-I292 PolarHBondContact O-N 3.49Å; T289-L293 HydrophobicContact CG2-CD1 4.04Å; T289-L293 HydrophobicContact CG2-CG 4.19Å; T289-L293 WeakPolarHBondContact O-CB 3.39Å; T289-L293 VanDerWaalsContact O-CG 3.26Å; T289-L293 WeakPolarHBondContact O-CG 3.49Å; T289-L293 PolarHBondContact O-N 3.31Å; T289-L506 HydrophobicContact CG2-CD2 3.9Å
290	H	90.7	Very high	88.1	Confident	10 Å²	10	29.3 Å²	29.3	5%	0.046	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-34.4	173.3	-154.2	110.2	0	0	0	112.4	S286 F287 E288 G294 H413 L414 L476	S286-H290 PolarHBondContact O-N 3.09Å; F287-H290 WeakPolarHBondContact O-CA 3.31Å; F287-H290 VanDerWaalsContact O-CB 3.29Å; F287-H290 WeakPolarHBondContact O-CB 3.42Å; F287-H290 PolarHBondContact O-N 2.98Å; F287-H290 VanDerWaalsContact O-N 3.11Å; E288-H290 VanDerWaalsContact C-N 3.25Å; E288-H290 PolarHBondContact O-N 2.92Å; H290-G294 PolarHBondContact O-N 3.37Å; H290-H413 AromaticContact CE1-CD2 3.13Å; H290-H413 PolarHBondContact CE1-CD2 3.01Å; H290-H413 AromaticContact CE1-NE2 2.87Å; H290-H413 PolarHBondContact CE1-NE2 2.82Å; H290-H413 AromaticContact NE2-CD2 3.31Å; H290-H413 PolarHBondContact NE2-CD2 3.17Å; H290-H413 VanDerWaalsContact NE2-CD2 3.31Å; H290-H413 AromaticContact NE2-CE1 3.53Å; H290-H413 AromaticContact NE2-NE2 2.55Å; H290-H413 PolarHBondContact NE2-NE2 2.67Å; H290-L414 VanDerWaalsContact NE2-CD2 3.25Å; H290-L414 WeakPolarHBondContact NE2-CD2 3.44Å; H290-L476 HydrophobicContact CB-CD1 4.45Å
291	V	92	Very high	88.8	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-50.1	170.5	173.2	0	0	0	0	110.4	F287 E288 G294 A295 L476 R479 I480 L483	F287-V291 HydrophobicContact CD1-CG2 4.4Å; F287-V291 HydrophobicContact CE1-CG2 4.11Å; F287-V291 PolarHBondContact O-N 3.3Å; E288-V291 WeakPolarHBondContact O-CB 3.3Å; E288-V291 PolarHBondContact O-N 3.09Å; V291-G294 PolarHBondContact O-N 2.98Å; V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.05Å; V291-L476 HydrophobicContact CG2-CD1 3.6Å; V291-R479 HydrophobicContact CB-CB 4.46Å; V291-R479 HydrophobicContact CG1-CB 3.82Å; V291-R479 HydrophobicContact CG2-CB 3.71Å; V291-I480 HydrophobicContact CG1-CG1 4.48Å; V291-L483 HydrophobicContact CG1-CB 4.36Å; V291-L483 HydrophobicContact CG1-CD2 4.01Å
292	I	94	Very high	89.8	Confident	63 Å²	63	30 Å²	30	32%	0.323	15%	0.154	S	C	.	.	H	α-helix	trans	-61.6	-49.5	-179.6	-65.2	165.4	0	0	0	111.2	E288 T289 A295 L296 L483	E288-I292 WeakPolarHBondContact O-CG1 3.32Å; E288-I292 PolarHBondContact O-N 3.48Å; T289-I292 PolarHBondContact O-N 3.49Å; I292-A295 PolarHBondContact O-N 2.91Å; I292-L296 HydrophobicContact CG2-CD1 3.99Å; I292-L296 WeakPolarHBondContact O-CG 3.46Å; I292-L296 PolarHBondContact O-N 2.92Å; I292-L483 HydrophobicContact CB-CD2 4.35Å; I292-L483 HydrophobicContact CG1-CD2 3.96Å
293	L	94.6	Very high	90.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-39.2	178.9	-65.9	179.7	0	0	0	111.9	L278 T289 L296 I297 F499 N502 V503 L506	L278-L293 HydrophobicContact CD1-CD1 4.36Å; L278-L293 HydrophobicContact CD2-CB 4.1Å; L278-L293 HydrophobicContact CD2-CD1 4.41Å; T289-L293 HydrophobicContact CG2-CD1 4.04Å; T289-L293 HydrophobicContact CG2-CG 4.19Å; T289-L293 WeakPolarHBondContact O-CB 3.39Å; T289-L293 VanDerWaalsContact O-CG 3.26Å; T289-L293 WeakPolarHBondContact O-CG 3.49Å; T289-L293 PolarHBondContact O-N 3.31Å; L293-L296 PolarHBondContact O-N 3.02Å; L293-I297 WeakPolarHBondContact O-CB 3.47Å; L293-I297 WeakPolarHBondContact O-CD1 3.49Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 3.37Å; L293-F499 HydrophobicContact CB-CE2 4.3Å; L293-F499 HydrophobicContact CD2-CD2 3.75Å; L293-F499 HydrophobicContact CD2-CE2 3.95Å; L293-N502 HydrophobicContact CD2-CB 4.04Å; L293-V503 HydrophobicContact CD1-CG2 4Å; L293-V503 HydrophobicContact CD2-CG2 3.47Å; L293-V503 VanDerWaalsContact CD2-CG2 3.47Å; L293-V503 HydrophobicContact CG-CG2 4.38Å; L293-L506 HydrophobicContact CD1-CD1 4.05Å
294	G	92.4	Very high	90.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-39	176.6	0	0	0	0	0	113.4	H290 V291 A298	H290-G294 PolarHBondContact O-N 3.37Å; V291-G294 PolarHBondContact O-N 2.98Å; G294-A298 WeakPolarHBondContact O-CB 3.4Å; G294-A298 PolarHBondContact O-N 2.82Å
295	A	94.1	Very high	91	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-70	-38	175.7	0	0	0	0	0	112.4	V291 I292 A298 Q299 L483 H484 L487	V291-A295 WeakPolarHBondContact O-CB 3.46Å; V291-A295 PolarHBondContact O-N 3.05Å; I292-A295 PolarHBondContact O-N 2.91Å; A295-A298 PolarHBondContact O-N 3.46Å; A295-Q299 PolarHBondContact O-N 2.85Å; A295-L483 HydrophobicContact CB-CB 3.85Å; A295-L483 HydrophobicContact CB-CD2 3.76Å; A295-L483 HydrophobicContact CB-CG 3.7Å; A295-H484 HydrophobicContact CB-CB 4.32Å; A295-L487 HydrophobicContact CB-CD1 4.03Å; A295-L487 WeakPolarHBondContact O-CD1 3.3Å
296	L	95.7	Very high	90.4	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-38.5	174	-71	167.1	0	0	0	112.2	I292 L293 Q299 M300 L487 M490 F499	I292-L296 HydrophobicContact CG2-CD1 3.99Å; I292-L296 WeakPolarHBondContact O-CG 3.46Å; I292-L296 PolarHBondContact O-N 2.92Å; L293-L296 PolarHBondContact O-N 3.02Å; L296-Q299 PolarHBondContact O-N 3.47Å; L296-M300 WeakPolarHBondContact O-CG 3.46Å; L296-M300 PolarHBondContact O-N 2.97Å; L296-L487 HydrophobicContact CD2-CD1 4.03Å; L296-L487 HydrophobicContact CG-CD1 4.42Å; L296-M490 HydrophobicContact CD2-SD 4.21Å; L296-F499 HydrophobicContact CB-CB 4.24Å; L296-F499 HydrophobicContact CB-CD2 4.38Å; L296-F499 HydrophobicContact CD1-CB 4.48Å
297	I	94.3	Very high	89.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-46.1	171.3	-72.3	160.8	0	0	0	110.3	R275 L278 L293 Q299 M300 D301 C410 L411 F499	R275-I297 HydrophobicContact CB-CD1 4.42Å; R275-I297 HydrophobicContact CG-CD1 4.01Å; R275-I297 HydrophobicContact CG-CG1 4.39Å; R275-I297 HydrophobicContact CG-CG2 4.25Å; L278-I297 HydrophobicContact CD2-CD1 3.88Å; L293-I297 WeakPolarHBondContact O-CB 3.47Å; L293-I297 WeakPolarHBondContact O-CD1 3.49Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 3.37Å; I297-Q299 PolarHBondContact O-N 3.05Å; I297-M300 HydrophobicContact CB-CE 4.36Å; I297-M300 HydrophobicContact CG1-CE 3.88Å; I297-M300 PolarHBondContact O-N 3.13Å; I297-M300 VanDerWaalsContact O-N 3.17Å; I297-D301 VanDerWaalsContact CG2-OD2 3.28Å; I297-D301 WeakPolarHBondContact CG2-OD2 3.38Å; I297-D301 PolarHBondContact O-N 2.82Å; I297-C410 HydrophobicContact CG2-CB 4.15Å; I297-L411 HydrophobicContact CB-CD2 4.12Å; I297-L411 HydrophobicContact CD1-CD2 3.72Å; I297-L411 HydrophobicContact CG2-CD2 3.76Å; I297-L411 HydrophobicContact CG2-CG 4.38Å; I297-F499 HydrophobicContact CD1-CE2 3.69Å; I297-F499 HydrophobicContact CD1-CZ 4.23Å; I297-F499 HydrophobicContact CG1-CD2 4.07Å; I297-F499 HydrophobicContact CG1-CE2 3.62Å; I297-F499 HydrophobicContact CG1-CZ 4.2Å
298	A	92.9	Very high	87.5	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-42.9	175.4	0	0	0	0	0	112.8	G294 A295 M300 D301 L302 Y407	G294-A298 WeakPolarHBondContact O-CB 3.4Å; G294-A298 PolarHBondContact O-N 2.82Å; A295-A298 PolarHBondContact O-N 3.46Å; A298-M300 VanDerWaalsContact C-N 3.3Å; A298-M300 PolarHBondContact O-N 2.84Å; A298-D301 PolarHBondContact O-N 2.96Å; A298-L302 HydrophobicContact CB-CD1 4.29Å; A298-L302 WeakPolarHBondContact O-CA 3.24Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.34Å; A298-L302 PolarHBondContact O-N 2.67Å; A298-Y407 HydrophobicContact CB-CD1 3.82Å; A298-Y407 HydrophobicContact CB-CE1 3.55Å
299	Q	94.6	Very high	84.8	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-29.7	177	-171.2	70.3	31.7	0	0	112.4	A295 L296 I297 G303 N304 H484 L487 M490 A495	A295-Q299 PolarHBondContact O-N 2.85Å; L296-Q299 PolarHBondContact O-N 3.47Å; I297-Q299 PolarHBondContact O-N 3.05Å; Q299-G303 WeakPolarHBondContact O-CA 3.44Å; Q299-G303 PolarHBondContact O-N 3.48Å; Q299-N304 PolarHBondContact NE2-OD1 2.94Å; Q299-H484 WeakPolarHBondContact CA-NE2 3.43Å; Q299-H484 PolarHBondContact N-NE2 3.21Å; Q299-H484 PolarHBondContact OE1-CD2 2.91Å; Q299-H484 PolarHBondContact OE1-NE2 2.86Å; Q299-L487 HydrophobicContact CB-CB 4.39Å; Q299-L487 HydrophobicContact CB-CD1 4.02Å; Q299-L487 HydrophobicContact CG-CB 4.1Å; Q299-L487 PolarHBondContact NE2-O 3.14Å; Q299-L487 PolarHBondContact OE1-O 2.9Å; Q299-M490 HydrophobicContact CG-CB 4.17Å; Q299-M490 HydrophobicContact CG-CG 4.5Å; Q299-M490 PolarHBondContact NE2-O 3.47Å; Q299-A495 HydrophobicContact CB-CB 4.17Å; Q299-A495 HydrophobicContact CG-CB 3.97Å
300	M	93	Very high	82.2	Confident	14 Å²	14	54 Å²	54	7%	0.069	26%	0.259	C	S	.	.	H	α-helix	trans	-73	-43.9	173.1	-73.2	-174.3	-65.4	0	0	112.9	C271 L296 I297 A298 A495 E496 F499	C271-M300 HydrophobicContact CB-SD 4.28Å; L296-M300 WeakPolarHBondContact O-CG 3.46Å; L296-M300 PolarHBondContact O-N 2.97Å; I297-M300 HydrophobicContact CB-CE 4.36Å; I297-M300 HydrophobicContact CG1-CE 3.88Å; I297-M300 PolarHBondContact O-N 3.13Å; I297-M300 VanDerWaalsContact O-N 3.17Å; A298-M300 VanDerWaalsContact C-N 3.3Å; A298-M300 PolarHBondContact O-N 2.84Å; M300-A495 HydrophobicContact CG-CB 3.66Å; M300-E496 HydrophobicContact CG-CG 4.15Å; M300-E496 VanDerWaalsContact SD-CA 3.55Å; M300-E496 HydrophobicContact SD-CB 4.11Å; M300-E496 HydrophobicContact SD-CG 3.61Å; M300-F499 HydrophobicContact CE-CB 3.95Å; M300-F499 HydrophobicContact CE-CD1 3.86Å; M300-F499 HydrophobicContact CE-CD2 3.96Å; M300-F499 HydrophobicContact CE-CE1 4.3Å; M300-F499 HydrophobicContact CE-CE2 4.42Å; M300-F499 HydrophobicContact CE-CG 3.66Å; M300-F499 HydrophobicContact SD-CB 4.27Å; M300-F499 HydrophobicContact SD-CD1 4.48Å; M300-F499 HydrophobicContact SD-CG 4.46Å
301	D	89.9	Confident	79.4	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-90.2	-33.1	-171.8	-71.7	-52.3	0	0	0	114.1	R275 I297 A298 C410	R275-D301 IonicContact CZ-OD1 3.67Å; R275-D301 IonicContact CZ-OD2 2.7Å; R275-D301 IonicContact NH1-OD1 3.65Å; R275-D301 PolarHBondContact NH1-OD1 2.86Å; R275-D301 IonicContact NH1-OD2 3.39Å; R275-D301 PolarHBondContact NH1-OD2 2.72Å; I297-D301 VanDerWaalsContact CG2-OD2 3.28Å; I297-D301 WeakPolarHBondContact CG2-OD2 3.38Å; I297-D301 PolarHBondContact O-N 2.82Å; A298-D301 PolarHBondContact O-N 2.96Å; D301-C410 HydrophobicContact CB-CB 4.36Å
302	L	90.5	Very high	76.5	Confident	58 Å²	58	70.2 Å²	70.2	30%	0.304	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-14.4	-174.4	-54.8	174.2	0	0	0	113	A298 M406	A298-L302 HydrophobicContact CB-CD1 4.29Å; A298-L302 WeakPolarHBondContact O-CA 3.24Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.34Å; A298-L302 PolarHBondContact O-N 2.67Å; L302-M406 HydrophobicContact CD1-CB 4.08Å; L302-M406 HydrophobicContact CD1-CE 4.36Å; L302-M406 HydrophobicContact CD2-CE 4.14Å
303	G	90.7	Very high	73.8	Confident	28 Å²	28	71.8 Å²	71.8	29%	0.289	35%	0.352	S	S	.	.			trans	62.2	-155.3	-167.1	0	0	0	0	0	112.2	Q299 A305 H484	Q299-G303 WeakPolarHBondContact O-CA 3.44Å; Q299-G303 PolarHBondContact O-N 3.48Å; G303-A305 PolarHBondContact O-N 2.95Å; G303-H484 PolarHBondContact O-CE1 3.11Å; G303-H484 PolarHBondContact O-NE2 3.36Å
304	N	90.7	Very high	70.7	Confident	79 Å²	79	74.7 Å²	74.7	42%	0.422	38%	0.382	S	S	.	.	S	Bend	trans	-57.5	124.7	-172.1	-69.3	-43.6	0	0	0	114	Q299 V306 R488 G489	Q299-N304 PolarHBondContact NE2-OD1 2.94Å; N304-V306 PolarHBondContact O-N 3.44Å; N304-R488 HydrophobicContact CB-CG 4.43Å; N304-R488 WeakPolarHBondContact OD1-CA 3.27Å; N304-G489 PolarHBondContact OD1-N 3.5Å
305	A	83.3	Confident	67.9	Low	21 Å²	21	84 Å²	84	17%	0.174	43%	0.425	C	S	.	.			trans	-49.5	111.1	176.1	0	0	0	0	0	113.8	G303 K307 R485	G303-A305 PolarHBondContact O-N 2.95Å; A305-K307 PolarHBondContact O-N 2.69Å; A305-R485 HydrophobicContact CB-CG 4.21Å
306	V	72.4	Confident	64.9	Low	119 Å²	119	89 Å²	89	72%	0.721	46%	0.46	S	S	*	.			trans	-75.3	120.2	-178.6	-178.9	0	0	0	0	111	N304 H308	N304-V306 PolarHBondContact O-N 3.44Å; V306-H308 PolarHBondContact O-N 2.88Å; V306-H308 VanDerWaalsContact O-N 3.11Å
307	K	60.3	Low	61.9	Low	170 Å²	170	94 Å²	94	74%	0.739	50%	0.495	S	S	*	.			trans	-68.8	100.9	161.1	-79.4	-162.6	176	-165.3	0	107.9	A305 R309 D358	A305-K307 PolarHBondContact O-N 2.69Å; K307-R309 PolarHBondContact O-N 3.21Å; K307-D358 IonicContact NZ-OD2 3.06Å; K307-D358 PolarHBondContact NZ-OD2 2.87Å
308	H	50.6	Low	58.9	Low	118 Å²	118	99.7 Å²	99.7	55%	0.546	53%	0.534	S	S	.	.			trans	-63.6	109.1	173.7	-162.6	-50.4	0	0	0	108.9	V306 R310	V306-H308 PolarHBondContact O-N 2.88Å; V306-H308 VanDerWaalsContact O-N 3.11Å; H308-R310 PolarHBondContact O-N 2.78Å
309	R	33.6	Very low	56.1	Low	227 Å²	227	111.9 Å²	111.9	86%	0.857	58%	0.579	S	S	*	*			trans	-58.8	126.7	166	-70.2	-170.5	-178.4	-147.1	2.4	107.1	K307 S311	K307-R309 PolarHBondContact O-N 3.21Å; R309-S311 PolarHBondContact O-N 3.26Å
310	R	35.5	Very low	53.3	Low	168 Å²	168	117 Å²	117	63%	0.634	62%	0.616	S	S	*	*			trans	-57.6	114.3	167.2	-75.9	180	173	119.2	0.6	106.8	H308 R312 D359 S360	H308-R310 PolarHBondContact O-N 2.78Å; R310-R312 PolarHBondContact O-N 2.89Å; R310-R312 VanDerWaalsContact O-N 3.13Å; R310-D359 IonicContact NH1-OD2 3.75Å; R310-S360 PolarHBondContact NH2-O 2.92Å
311	S	32	Very low	50.4	Low	102 Å²	102	123.9 Å²	123.9	71%	0.713	65%	0.653	S	S	*	*			trans	-64	117.1	169.4	-73.7	0	0	0	0	106.9	R309 S313	R309-S311 PolarHBondContact O-N 3.26Å; S311-S313 PolarHBondContact O-N 2.81Å
312	R	30.8	Very low	47.7	Very low	251 Å²	251	126.9 Å²	126.9	95%	0.947	68%	0.675	S	S	*	*			trans	-67.8	83.3	165.6	-87.6	-179.6	159.1	170.8	-6.7	107.4	R310 G314	R310-R312 PolarHBondContact O-N 2.89Å; R310-R312 VanDerWaalsContact O-N 3.13Å; R312-G314 PolarHBondContact O-N 2.79Å
313	S	36.9	Very low	44.9	Very low	95 Å²	95	134.8 Å²	134.8	66%	0.664	70%	0.702	S	S	*	*			trans	-59.5	116.3	169.1	47.6	0	0	0	0	108.2	S311 H315	S311-S313 PolarHBondContact O-N 2.81Å; S313-H315 PolarHBondContact O-N 2.98Å
314	G	30.8	Very low	42.3	Very low	62 Å²	62	138.6 Å²	138.6	64%	0.639	72%	0.72	S	S	*	*			trans	-63	119.6	-179.4	0	0	0	0	0	111.1	R312 S316	R312-G314 PolarHBondContact O-N 2.79Å; G314-S316 PolarHBondContact O-N 3.01Å
315	H	34	Very low	39.5	Very low	197 Å²	197	143.1 Å²	143.1	91%	0.912	74%	0.739	S	S	*	*			trans	-72.8	77.3	165.2	-78.8	-83	0	0	0	109.1	S313	S313-H315 PolarHBondContact O-N 2.98Å
316	S	31	Very low	37	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	76%	0.76	S	S	*	*			trans	-143.1	43.3	-174.2	58.2	0	0	0	0	113.4	G314	G314-S316 PolarHBondContact O-N 3.01Å
317	S	32.7	Very low	35.1	Very low	109 Å²	109	147 Å²	147	76%	0.762	76%	0.764	S	S	*	*			trans	-168.8	144.7	157.1	53.9	0	0	0	0	107.6
318	C	29.7	Very low	33.8	Very low	120 Å²	120	142.9 Å²	142.9	81%	0.811	76%	0.757	S	S	*	*			cis	-133.1	134.8	17.3	-49.3	0	0	0	0	111.9
319	R	34.2	Very low	33.1	Very low	255 Å²	255	145.2 Å²	145.2	96%	0.962	77%	0.768	S	S	*	*			trans	-134.6	133.2	145.1	-84.6	-165.1	172.3	-166.6	-2.4	108.2
320	S	35.5	Very low	33.2	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	76%	0.758	S	S	*	*			trans	-93.1	123.9	-171.5	48.6	0	0	0	0	111.7
321	N	33.6	Very low	33.1	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	77%	0.765	S	S	*	*			trans	-171	128.2	135.5	-110	7.8	0	0	0	110.7
322	P	32.1	Very low	33	Very low	111 Å²	111	141 Å²	141	72%	0.721	77%	0.767	S	S	*	*			trans	-100.8	125.6	161.7	33.8	-24.9	0	0	0	110.5
323	Y	33	Very low	33.2	Very low	224 Å²	224	138.5 Å²	138.5	88%	0.878	76%	0.758	S	S	*	*			trans	173.4	158.5	136.5	-116.4	-93	0	0	0	112
324	V	35.9	Very low	33.1	Very low	109 Å²	109	143.7 Å²	143.7	66%	0.661	76%	0.763	S	S	*	*			trans	68.8	110.6	168.4	-176.7	0	0	0	0	117.6
325	E	30.6	Very low	33.3	Very low	174 Å²	174	149.7 Å²	149.7	81%	0.813	77%	0.774	S	S	*	*				27.9	154.9	125.8	-54	174.5	144.4	0	0	121.9
326	S	30.8	Very low	33.2	Very low	89 Å²	89	145.1 Å²	145.1	62%	0.622	76%	0.764	S	S	*	*			cis	-173.1	168.7	-22.7	60.7	0	0	0	0	109
327	T	34.2	Very low	33.4	Very low	132 Å²	132	145.6 Å²	145.6	81%	0.81	76%	0.763	S	S	*	*			trans	64.2	164.7	174.8	80.7	0	0	0	0	115.4
328	S	32.3	Very low	33.3	Very low	84 Å²	84	145.8 Å²	145.8	59%	0.587	76%	0.764	S	S	*	*			cis	-166.6	170.2	-35.9	53.2	0	0	0	0	108.9
329	H	36.8	Very low	33.7	Very low	167 Å²	167	146.1 Å²	146.1	77%	0.773	77%	0.765	S	S	*	*			trans	66.4	150.7	165.7	-67.2	-60.6	0	0	0	118.4
330	D	33.9	Very low	33.4	Very low	120 Å²	120	138.4 Å²	138.4	64%	0.642	76%	0.755	S	S	*	*			cis	-166.7	-174.5	-30.2	-140.1	-47.5	0	0	0	111.5
331	F	33.8	Very low	33.2	Very low	180 Å²	180	144.6 Å²	144.6	79%	0.789	76%	0.762	S	S	*	*			trans	74.5	96.2	157.2	-79.3	-64.6	0	0	0	121.8
332	S	31.3	Very low	33.3	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	76%	0.759	S	S	*	*			trans	-68.7	154	159.7	-34.8	0	0	0	0	114.4
333	R	34	Very low	33.1	Very low	198 Å²	198	146.9 Å²	146.9	75%	0.747	77%	0.768	S	S	*	*			trans	-158.1	100.1	154	-165	161	-73.1	-136.6	1.3	116.8
334	R	35.4	Very low	33	Very low	204 Å²	204	142 Å²	142	77%	0.77	77%	0.766	S	S	*	*			trans	63.3	143	146.6	-54.6	172	-171	-147.1	-2.5	117.1
335	Q	34.5	Very low	32.9	Very low	188 Å²	188	141.3 Å²	141.3	88%	0.879	77%	0.766	S	S	*	*			cis	63.1	131.1	45.1	-62.5	-179.2	-12	0	0	113.2
336	S	31.5	Very low	33	Very low	101 Å²	101	141.2 Å²	141.2	71%	0.706	77%	0.766	S	S	*	*			cis	-157.4	-147	-9.3	41.5	0	0	0	0	107.8
337	T	35.6	Very low	32.9	Very low	114 Å²	114	148.2 Å²	148.2	70%	0.699	78%	0.779	S	S	*	*			cis	-167.1	131.3	10.3	-22.1	0	0	0	0	111.8
338	S	31	Very low	32.7	Very low	113 Å²	113	154.2 Å²	154.2	79%	0.79	79%	0.786	S	S	*	*			trans	57.2	160.3	151.5	51.1	0	0	0	0	123.4
339	P	37.4	Very low	32.5	Very low	127 Å²	127	156.3 Å²	156.3	83%	0.825	80%	0.8	S	S	*	*			trans	-122.7	176.2	-171.5	43.8	-32	0	0	0	117.4
340	A	29.1	Very low	32.1	Very low	92 Å²	92	154 Å²	154	76%	0.76	80%	0.802	S	S	*	*			trans	127.1	154.4	141.3	0	0	0	0	0	119.4
341	R	30.9	Very low	31.8	Very low	242 Å²	242	156.4 Å²	156.4	91%	0.913	81%	0.814	S	S	*	*			trans	91.5	105.9	160.3	-59	-176.9	174.1	-165.5	-1.6	122.2
342	S	35.5	Very low	31.5	Very low	114 Å²	114	152.2 Å²	152.2	80%	0.797	81%	0.813	S	S	*	*			trans	169.7	126.8	131.7	52.5	0	0	0	0	107.8
343	F	27.1	Very low	31.5	Very low	204 Å²	204	155.2 Å²	155.2	90%	0.895	81%	0.814	S	S	*	*			cis	76.1	133.9	36.8	-92.8	-79.5	0	0	0	116.4
344	S	31.2	Very low	31.4	Very low	120 Å²	120	151.1 Å²	151.1	84%	0.839	81%	0.814	S	S	*	*			trans	72	142.6	-169.7	74.2	0	0	0	0	115.8
345	S	34.2	Very low	31	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	81%	0.81	S	S	*	*			cis	-148.4	161	-10.4	61.3	0	0	0	0	114.3
346	E	33	Very low	30.8	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.804	81%	0.808	S	S	*	*			trans	55.8	102.5	141.6	-71.6	160.4	166.4	0	0	124.8
347	R	28.2	Very low	30.7	Very low	236 Å²	236	149 Å²	149	89%	0.891	81%	0.814	S	S	*	*			trans	18	120.2	131.8	-47.3	-178.8	-161.5	-174.8	6.5	119.8
348	R	31.4	Very low	30.4	Very low	258 Å²	258	150.2 Å²	150.2	97%	0.974	82%	0.817	S	S	*	*				-165.6	165.5	108.3	-105.2	175.2	-174.8	-161.8	1	110.5
349	C	26.4	Very low	30.5	Very low	128 Å²	128	151.5 Å²	151.5	87%	0.865	81%	0.814	S	S	*	*			trans	-122	125.4	-171.4	-174.9	0	0	0	0	111.2
350	S	29.6	Very low	30	Very low	117 Å²	117	148.6 Å²	148.6	82%	0.818	80%	0.797	S	S	*	*			trans	-145.9	122.5	173.4	-51.7	0	0	0	0	111
351	L	27.3	Very low	30.2	Very low	172 Å²	172	147.5 Å²	147.5	90%	0.901	78%	0.778	S	S	*	*			trans	-14	134	166.6	-62.4	160.8	0	0	0	120.3
352	A	27.5	Very low	30.1	Very low	92 Å²	92	141.7 Å²	141.7	76%	0.76	76%	0.763	S	S	*	*			trans	78.7	137.5	143	0	0	0	0	0	122.3
353	Q	31.4	Very low	29.9	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	74%	0.742	S	S	*	*			trans	68.6	155.7	164.7	-67.1	-74.9	-38.6	0	0	118
354	P	31.7	Very low	30	Very low	113 Å²	113	136.1 Å²	136.1	73%	0.734	73%	0.727	S	S	*	*			cis	-116.7	179.4	-8.6	39.8	-26.9	0	0	0	114.1
355	E	27.5	Very low	29.9	Very low	149 Å²	149	135 Å²	135	70%	0.696	73%	0.725	S	S	*	*			trans	-73.3	152.8	172.6	-51.4	-177.9	155	0	0	112.8
356	H	30.2	Very low	29.5	Very low	179 Å²	179	138.9 Å²	138.9	83%	0.829	73%	0.725	S	S	*	*			trans	176.1	169.8	130.4	-91.9	-36.9	0	0	0	114.2
357	S	28.8	Very low	29.3	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	72%	0.724	S	S	*	*			trans	63.3	94.1	172.6	59.8	0	0	0	0	119.5
358	D	30.1	Very low	29.4	Very low	141 Å²	141	131.4 Å²	131.4	75%	0.754	71%	0.713	S	S	*	*	S	Bend		-153.6	130.6	123.6	-152.3	25.8	0	0	0	110.3	K307	K307-D358 IonicContact NZ-OD2 3.06Å; K307-D358 PolarHBondContact NZ-OD2 2.87Å
359	D	32.8	Very low	29.2	Very low	139 Å²	139	126.3 Å²	126.3	74%	0.743	71%	0.705	S	S	*	*			trans	-37.3	135.8	-160.6	-94.1	-7.8	0	0	0	120.1	R310	R310-D359 IonicContact NH1-OD2 3.75Å
360	S	26.9	Very low	29.5	Very low	66 Å²	66	128.1 Å²	128.1	46%	0.462	70%	0.698	S	S	.	*			trans	-79.6	136.8	178.3	59.6	0	0	0	0	114.8	R310	R310-S360 PolarHBondContact NH2-O 2.92Å
361	I	32.6	Very low	29.5	Very low	69 Å²	69	128.3 Å²	128.3	35%	0.354	70%	0.699	S	S	.	*			trans	-101.2	102.2	146.4	-57.2	-177.7	0	0	0	105.2	W363 I403	I361-W363 PolarHBondContact O-N 2.77Å; I361-I403 HydrophobicContact CD1-CD1 3.68Å
362	I	29	Very low	29.8	Very low	120 Å²	120	129.4 Å²	129.4	62%	0.615	70%	0.697	S	S	*	*			trans	-74	108.3	-175.3	-63.5	179	0	0	0	109	D364	I362-D364 VanDerWaalsContact C-N 3.3Å; I362-D364 HydrophobicContact CG2-CB 3.71Å; I362-D364 WeakPolarHBondContact CG2-OD2 3.27Å; I362-D364 PolarHBondContact O-N 2.88Å
363	W	32.3	Very low	30	Very low	94 Å²	94	132.5 Å²	132.5	36%	0.356	70%	0.699	S	S	.	*			trans	-95.5	42.6	171.8	-82.5	85.5	0	0	0	111.1	I361 A365 S404 P474	I361-W363 PolarHBondContact O-N 2.77Å; W363-A365 PolarHBondContact O-N 3.23Å; W363-S404 WeakPolarHBondContact CH2-OG 3.08Å; W363-S404 WeakPolarHBondContact CZ2-OG 3.16Å; W363-P474 HydrophobicContact CE3-CB 4.07Å; W363-P474 HydrophobicContact CZ3-CB 3.82Å
364	D	28.3	Very low	30.1	Very low	108 Å²	108	131.7 Å²	131.7	58%	0.578	70%	0.7	S	S	*	*			trans	-72.9	113.3	179.1	-98.4	-63.7	0	0	0	111.3	I362	I362-D364 VanDerWaalsContact C-N 3.3Å; I362-D364 HydrophobicContact CG2-CB 3.71Å; I362-D364 WeakPolarHBondContact CG2-OD2 3.27Å; I362-D364 PolarHBondContact O-N 2.88Å
365	A	28.8	Very low	30.1	Very low	95 Å²	95	135.5 Å²	135.5	79%	0.785	71%	0.705	S	S	*	*			trans	-87.4	15.7	166.6	0	0	0	0	0	112.1	W363	W363-A365 PolarHBondContact O-N 3.23Å
366	R	26.6	Very low	30.1	Very low	179 Å²	179	134.2 Å²	134.2	68%	0.675	71%	0.709	S	S	*	*			trans	-90.9	119.6	180	-67.5	-177.6	175.1	-166.7	-1	110.1	D368	R366-D368 PolarHBondContact O-N 3.01Å
367	V	29	Very low	30.1	Very low	128 Å²	128	132.1 Å²	132.1	78%	0.776	71%	0.713	S	S	*	*			trans	-75.6	105.5	169.2	177.9	0	0	0	0	107.5	N369	V367-N369 VanDerWaalsContact C-N 3.29Å; V367-N369 PolarHBondContact O-N 3.13Å
368	D	29.3	Very low	30.1	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	71%	0.71	S	S	*	*			trans	-76.9	78.8	-175.7	-136.4	-15.6	0	0	0	110.5	R366 K370	R366-D368 PolarHBondContact O-N 3.01Å; D368-K370 PolarHBondContact O-N 2.99Å; D368-K370 WeakPolarHBondContact OD1-CD 3.47Å; D368-K370 IonicContact OD1-NZ 2.69Å
369	N	28.3	Very low	30.2	Very low	151 Å²	151	130.6 Å²	130.6	81%	0.807	71%	0.713	S	S	*	*			trans	-69.4	72.4	168.7	-92.4	-7.2	0	0	0	110.1	V367	V367-N369 VanDerWaalsContact C-N 3.29Å; V367-N369 PolarHBondContact O-N 3.13Å
370	K	31.8	Very low	30	Very low	166 Å²	166	128.9 Å²	128.9	72%	0.722	71%	0.712	S	S	*	*			trans	-117.4	82.1	170.1	-79	177.9	-177.8	154.1	0	110.2	D368 K372	D368-K370 PolarHBondContact O-N 2.99Å; D368-K370 WeakPolarHBondContact OD1-CD 3.47Å; D368-K370 IonicContact OD1-NZ 2.69Å; K370-K372 PolarHBondContact O-N 3.14Å
371	S	30	Very low	30.4	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	73%	0.732	S	S	*	*			trans	-58.5	100.6	164.9	48	0	0	0	0	109.8
372	K	34.1	Very low	30.2	Very low	196 Å²	196	132 Å²	132	85%	0.852	74%	0.743	S	S	*	*			trans	-74.5	139.8	169.3	-124.9	179.5	-178.3	-177.6	0	109.2	K370 D374	K370-K372 PolarHBondContact O-N 3.14Å; K372-D374 PolarHBondContact O-N 3.45Å
373	I	30.2	Very low	30.2	Very low	157 Å²	157	133.8 Å²	133.8	81%	0.805	75%	0.754	S	S	*	*			trans	-76.4	120.1	-175.1	-61.4	160.2	0	0	0	109.1
374	D	33.5	Very low	30.2	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	78%	0.781	S	S	*	*			trans	-120.2	141.7	161.9	-85.9	-53	0	0	0	110	K372	K372-D374 PolarHBondContact O-N 3.45Å
375	K	31.3	Very low	30.1	Very low	193 Å²	193	140.9 Å²	140.9	84%	0.839	79%	0.794	S	S	*	*			trans	-84.3	144.4	-170.9	-69.5	176.9	177.6	176.6	0	111.7
376	P	28.2	Very low	30.1	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	80%	0.796	S	S	*	*			trans	-77.4	138.1	176.9	31.6	-34	0	0	0	112
377	C	29.6	Very low	30	Very low	136 Å²	136	140.1 Å²	140.1	92%	0.919	81%	0.805	S	S	*	*			trans	-127.3	148.8	153.9	-77.5	0	0	0	0	108.2
378	S	30.1	Very low	29.9	Very low	108 Å²	108	138.9 Å²	138.9	76%	0.755	80%	0.801	S	S	*	*			trans	-113	163.6	-154	52.3	0	0	0	0	114.3
379	S	31.8	Very low	29.8	Very low	119 Å²	119	140.6 Å²	140.6	83%	0.832	81%	0.81	S	S	*	*			trans	73.4	146.4	171.4	88.9	0	0	0	0	115
380	S	28.6	Very low	29.8	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	81%	0.808	S	S	*	*			cis	-151	-178.9	0.3	59.9	0	0	0	0	111.5
381	V	35	Very low	29.6	Very low	143 Å²	143	142.1 Å²	142.1	87%	0.867	82%	0.818	S	S	*	*			trans	73.6	131.8	177.5	-167.5	0	0	0	0	115.2
382	G	29.2	Very low	29.4	Very low	58 Å²	58	139 Å²	139	60%	0.598	81%	0.805	S	S	*	*			cis	146.5	86.5	-9.4	0	0	0	0	0	114.8
383	N	27.8	Very low	29	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	80%	0.798	S	S	*	*			trans	51.6	114.2	157.8	-58.5	-19.8	0	0	0	119.3
384	K	33	Very low	29	Very low	211 Å²	211	132.8 Å²	132.8	92%	0.917	80%	0.799	S	S	*	*				-169.4	152.2	100.7	-100.3	159.3	-173.3	176	0	113.4
385	T	26.5	Very low	28.8	Very low	141 Å²	141	130.1 Å²	130.1	87%	0.865	79%	0.791	S	S	*	*			trans	-79.5	136.2	-174	41.1	0	0	0	0	113.3
386	S	28.3	Very low	28.6	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	79%	0.785	S	S	*	*			trans	-152.2	145.4	145	60.4	0	0	0	0	110
387	T	24.7	Very low	28.8	Very low	142 Å²	142	126.3 Å²	126.3	87%	0.871	79%	0.786	S	S	*	*			trans	-84.3	122.3	-177.7	39.9	0	0	0	0	110.7
388	C	27.1	Very low	29.5	Very low	102 Å²	102	125.8 Å²	125.8	69%	0.689	77%	0.771	S	S	*	*			trans	-123.1	113.8	176	-153.7	0	0	0	0	111.2	H390	C388-H390 PolarHBondContact O-N 2.99Å
389	N	26.6	Very low	30.3	Very low	159 Å²	159	129.5 Å²	129.5	85%	0.85	78%	0.776	S	S	*	*			trans	-77.8	98.2	179.4	-70.2	-35.4	0	0	0	110.4
390	H	29	Very low	31.5	Very low	165 Å²	165	127 Å²	127	76%	0.764	75%	0.753	S	S	*	*			trans	-118.4	76.1	170.4	-92.8	-71.6	0	0	0	112.1	C388 G392	C388-H390 PolarHBondContact O-N 2.99Å; H390-G392 PolarHBondContact O-N 2.76Å
391	I	27.6	Very low	33.3	Very low	183 Å²	183	125.5 Å²	125.5	94%	0.938	74%	0.737	S	S	*	*			trans	-73.9	85	159.1	-59.2	175.8	0	0	0	106.9
392	G	25.7	Very low	34.8	Very low	55 Å²	55	123.9 Å²	123.9	57%	0.567	72%	0.723	S	S	*	*			trans	-148	98.4	-178.5	0	0	0	0	0	110.8	H390 S394	H390-G392 PolarHBondContact O-N 2.76Å; G392-S394 PolarHBondContact O-N 2.99Å; G392-S394 VanDerWaalsContact O-N 3.17Å
393	C	26.1	Very low	36.6	Very low	105 Å²	105	123.2 Å²	123.2	71%	0.709	71%	0.705	S	S	*	*			trans	-63.8	115.8	173.1	177.9	0	0	0	0	109.6	C395	C393-C395 HydrophobicContact CB-CB 4.49Å; C393-C395 WeakPolarHBondContact CB-SG 3.43Å; C393-C395 PolarHBondContact O-N 3.3Å; C393-C395 WeakPolarHBondContact SG-CB 3.38Å; C393-C395 PolarHBondContact SG-N 3.17Å; C393-C395 CovalentContact SG-SG 2.05Å; C393-C395 PolarHBondContact SG-SG 2.9Å
394	S	28.7	Very low	38.7	Very low	117 Å²	117	115.9 Å²	115.9	82%	0.818	67%	0.666	S	S	*	*			trans	-74.4	28.2	173.2	49.8	0	0	0	0	113	G392 S396	G392-S394 PolarHBondContact O-N 2.99Å; G392-S394 VanDerWaalsContact O-N 3.17Å; S394-S396 PolarHBondContact O-N 3.44Å
395	C	29	Very low	40.6	Very low	98 Å²	98	109 Å²	109	66%	0.662	64%	0.639	S	S	*	*			trans	-71.4	75.8	172.2	35.8	0	0	0	0	110.1	C393	C393-C395 HydrophobicContact CB-CB 4.49Å; C393-C395 WeakPolarHBondContact CB-SG 3.43Å; C393-C395 PolarHBondContact O-N 3.3Å; C393-C395 WeakPolarHBondContact SG-CB 3.38Å; C393-C395 PolarHBondContact SG-N 3.17Å; C393-C395 CovalentContact SG-SG 2.05Å; C393-C395 PolarHBondContact SG-SG 2.9Å
396	S	28.6	Very low	43.1	Very low	101 Å²	101	106.2 Å²	106.2	71%	0.706	62%	0.617	S	S	*	*			trans	-60.8	154.1	-175.1	52.4	0	0	0	0	113.2	S394 Q398	S394-S396 PolarHBondContact O-N 3.44Å; S396-Q398 PolarHBondContact O-N 3.27Å
397	T	32.2	Very low	45.7	Very low	133 Å²	133	101.4 Å²	101.4	82%	0.816	58%	0.581	S	S	*	*			trans	-59.8	110.6	177.6	48.2	0	0	0	0	110.6	Q399	T397-Q399 PolarHBondContact O-N 3.45Å; T397-Q399 VanDerWaalsContact O-N 3.15Å
398	Q	44.4	Very low	48.4	Very low	126 Å²	126	95.5 Å²	95.5	59%	0.589	54%	0.544	S	S	*	.			trans	-56	119.8	166.9	-67.6	-175.6	-53.1	0	0	108.6	S396 I400	S396-Q398 PolarHBondContact O-N 3.27Å; Q398-I400 PolarHBondContact O-N 3.37Å
399	Q	46.5	Very low	50.6	Low	185 Å²	185	97.2 Å²	97.2	86%	0.864	54%	0.542	S	S	*	.			trans	-62.1	124.1	174.2	-75.1	-176.4	-30.6	0	0	108.6	T397 D401	T397-Q399 PolarHBondContact O-N 3.45Å; T397-Q399 VanDerWaalsContact O-N 3.15Å; Q399-D401 PolarHBondContact O-N 2.89Å
400	I	57.1	Low	53	Low	68 Å²	68	90 Å²	90	35%	0.349	51%	0.505	S	S	.	.			trans	-77.2	113.4	173.8	-55.9	178.4	0	0	0	106.8	Q398 N402 I405 L408 Y472	Q398-I400 PolarHBondContact O-N 3.37Å; I400-N402 PolarHBondContact O-N 3.37Å; I400-I405 HydrophobicContact CB-CG1 4.16Å; I400-I405 HydrophobicContact CG2-CG1 3.73Å; I400-L408 HydrophobicContact CD1-CD1 4.5Å; I400-L408 HydrophobicContact CG2-CD1 4.01Å; I400-Y472 HydrophobicContact CD1-CE1 4.15Å; I400-Y472 HydrophobicContact CG1-CE1 4.04Å
401	D	65.7	Low	55.3	Low	71 Å²	71	82.2 Å²	82.2	38%	0.38	47%	0.468	S	S	.	.			trans	-44.7	137.1	173.6	-86.9	-7.6	0	0	0	111.7	Q399 I403 S404 I405	Q399-D401 PolarHBondContact O-N 2.89Å; D401-I403 PolarHBondContact O-N 2.66Å; D401-S404 WeakPolarHBondContact O-CA 3.47Å; D401-S404 WeakPolarHBondContact O-CB 3.33Å; D401-S404 PolarHBondContact O-N 3.19Å; D401-I405 PolarHBondContact O-N 2.66Å
402	N	66	Low	57.3	Low	109 Å²	109	74.8 Å²	74.8	58%	0.583	43%	0.432	S	S	*	.	H	α-helix	trans	-48.9	-37.2	175.2	-70.6	-16.1	0	0	0	112.5	I400 I405 M406	I400-N402 PolarHBondContact O-N 3.37Å; N402-I405 PolarHBondContact O-N 3.43Å; N402-M406 WeakPolarHBondContact O-CG 3.1Å; N402-M406 PolarHBondContact O-N 3.47Å; N402-M406 VanDerWaalsContact O-N 3.14Å
403	I	68.8	Low	59.2	Low	43 Å²	43	73.7 Å²	73.7	22%	0.221	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-44.6	175.6	-66.2	172.9	0	0	0	111.1	I361 D401 M406 Y407	I361-I403 HydrophobicContact CD1-CD1 3.68Å; D401-I403 PolarHBondContact O-N 2.66Å; I403-M406 PolarHBondContact O-N 3.19Å; I403-Y407 HydrophobicContact CG2-CD2 4.17Å; I403-Y407 HydrophobicContact CG2-CE2 3.64Å; I403-Y407 WeakPolarHBondContact O-CD2 3.46Å; I403-Y407 PolarHBondContact O-N 2.98Å
404	S	72.1	Confident	61.4	Low	3 Å²	3	69.5 Å²	69.5	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-69.3	-35.4	176.6	-67.4	0	0	0	0	112.2	W363 D401 M406 Y407 L408	W363-S404 WeakPolarHBondContact CH2-OG 3.08Å; W363-S404 WeakPolarHBondContact CZ2-OG 3.16Å; D401-S404 WeakPolarHBondContact O-CA 3.47Å; D401-S404 WeakPolarHBondContact O-CB 3.33Å; D401-S404 PolarHBondContact O-N 3.19Å; S404-M406 VanDerWaalsContact C-N 3.3Å; S404-M406 PolarHBondContact O-N 3.06Å; S404-Y407 PolarHBondContact O-N 3.44Å; S404-L408 WeakPolarHBondContact O-CB 3.5Å; S404-L408 WeakPolarHBondContact O-CG 3.11Å; S404-L408 PolarHBondContact O-N 2.79Å
405	I	72.5	Confident	62.8	Low	68 Å²	68	66.1 Å²	66.1	35%	0.349	36%	0.362	S	S	.	.	H	α-helix	trans	-58	-42.9	173.4	-60.2	177.7	0	0	0	110.6	I400 D401 N402 Y407 L408 Q409	I400-I405 HydrophobicContact CB-CG1 4.16Å; I400-I405 HydrophobicContact CG2-CG1 3.73Å; D401-I405 PolarHBondContact O-N 2.66Å; N402-I405 PolarHBondContact O-N 3.43Å; I405-Y407 PolarHBondContact O-N 2.97Å; I405-L408 PolarHBondContact O-N 3.03Å; I405-Q409 WeakPolarHBondContact O-CG 3.5Å; I405-Q409 PolarHBondContact O-N 2.93Å
406	M	77.5	Confident	63.9	Low	82 Å²	82	67.6 Å²	67.6	40%	0.404	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-44.8	176.7	-64.7	175.7	73.5	0	0	112.7	L302 N402 I403 S404 L408 Q409 C410	L302-M406 HydrophobicContact CD1-CB 4.08Å; L302-M406 HydrophobicContact CD1-CE 4.36Å; L302-M406 HydrophobicContact CD2-CE 4.14Å; N402-M406 WeakPolarHBondContact O-CG 3.1Å; N402-M406 PolarHBondContact O-N 3.47Å; N402-M406 VanDerWaalsContact O-N 3.14Å; I403-M406 PolarHBondContact O-N 3.19Å; S404-M406 VanDerWaalsContact C-N 3.3Å; S404-M406 PolarHBondContact O-N 3.06Å; M406-L408 VanDerWaalsContact C-N 3.35Å; M406-L408 PolarHBondContact O-N 3.32Å; M406-Q409 PolarHBondContact O-N 2.97Å; M406-C410 PolarHBondContact O-N 3.46Å; M406-C410 PolarHBondContact O-SG 3.03Å; M406-C410 VanDerWaalsContact O-SG 3.4Å
407	Y	83.3	Confident	64.4	Low	14 Å²	14	66.1 Å²	66.1	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-36.2	175.6	-67.3	-68.2	0	0	0	112.3	A298 I403 S404 I405 Q409 C410 L411 I480 A481 H484	A298-Y407 HydrophobicContact CB-CD1 3.82Å; A298-Y407 HydrophobicContact CB-CE1 3.55Å; I403-Y407 HydrophobicContact CG2-CD2 4.17Å; I403-Y407 HydrophobicContact CG2-CE2 3.64Å; I403-Y407 WeakPolarHBondContact O-CD2 3.46Å; I403-Y407 PolarHBondContact O-N 2.98Å; S404-Y407 PolarHBondContact O-N 3.44Å; I405-Y407 PolarHBondContact O-N 2.97Å; Y407-Q409 VanDerWaalsContact C-N 3.32Å; Y407-Q409 PolarHBondContact O-N 3.36Å; Y407-C410 PolarHBondContact O-N 2.82Å; Y407-L411 WeakPolarHBondContact O-CB 3.33Å; Y407-L411 PolarHBondContact O-N 2.97Å; Y407-I480 HydrophobicContact CD1-CG2 3.66Å; Y407-I480 HydrophobicContact CE1-CG2 3.84Å; Y407-I480 HydrophobicContact CG-CG2 4.37Å; Y407-A481 HydrophobicContact CD2-CB 4.26Å; Y407-A481 HydrophobicContact CE2-CB 3.48Å; Y407-A481 VanDerWaalsContact CE2-CB 3.48Å; Y407-A481 WeakPolarHBondContact OH-CA 3.48Å; Y407-H484 HydrophobicContact CE1-CB 4.21Å; Y407-H484 AromaticContact CE1-ND1 3.45Å; Y407-H484 WeakPolarHBondContact CE1-ND1 3.32Å; Y407-H484 AromaticContact CZ-ND1 3.58Å; Y407-H484 PolarHBondContact OH-ND1 3.24Å
408	L	80.9	Confident	64.3	Low	18 Å²	18	62.8 Å²	62.8	9%	0.094	34%	0.336	C	S	.	.	H	α-helix	trans	-70.5	-25.3	177.4	-69.2	169.8	0	0	0	113.1	I400 S404 I405 M406 L411 P412 L414 A415 L477	I400-L408 HydrophobicContact CD1-CD1 4.5Å; I400-L408 HydrophobicContact CG2-CD1 4.01Å; S404-L408 WeakPolarHBondContact O-CB 3.5Å; S404-L408 WeakPolarHBondContact O-CG 3.11Å; S404-L408 PolarHBondContact O-N 2.79Å; I405-L408 PolarHBondContact O-N 3.03Å; M406-L408 VanDerWaalsContact C-N 3.35Å; M406-L408 PolarHBondContact O-N 3.32Å; L408-L411 CarbonylContact O-C 3.47Å; L408-P412 WeakPolarHBondContact O-CA 3.04Å; L408-L414 HydrophobicContact CD2-CB 3.67Å; L408-A415 HydrophobicContact CB-CB 4.29Å; L408-A415 HydrophobicContact CD2-CB 3.77Å; L408-A415 HydrophobicContact CG-CB 4.42Å; L408-L477 HydrophobicContact CD1-CD1 4.36Å; L408-L477 HydrophobicContact CD2-CD1 4.05Å; L408-L477 HydrophobicContact CD2-CD2 4.13Å; L408-L477 HydrophobicContact CG-CD1 4.18Å; L408-L477 HydrophobicContact CG-CD2 4.42Å
409	Q	74.8	Confident	63.6	Low	138 Å²	138	63.6 Å²	63.6	65%	0.645	35%	0.349	S	S	*	.	H	α-helix	trans	-67.5	-39.6	170.5	-74.7	168.4	-16.2	0	0	112	I405 M406 Y407	I405-Q409 WeakPolarHBondContact O-CG 3.5Å; I405-Q409 PolarHBondContact O-N 2.93Å; M406-Q409 PolarHBondContact O-N 2.97Å; Y407-Q409 VanDerWaalsContact C-N 3.32Å; Y407-Q409 PolarHBondContact O-N 3.36Å
410	C	76.9	Confident	62.8	Low	9 Å²	9	59 Å²	59	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-81.8	-27.5	179.2	-51.5	0	0	0	0	112.7	I297 D301 M406 Y407 P412	I297-C410 HydrophobicContact CG2-CB 4.15Å; D301-C410 HydrophobicContact CB-CB 4.36Å; M406-C410 PolarHBondContact O-N 3.46Å; M406-C410 PolarHBondContact O-SG 3.03Å; M406-C410 VanDerWaalsContact O-SG 3.4Å; Y407-C410 PolarHBondContact O-N 2.82Å; C410-P412 VanDerWaalsContact C-CD 3.43Å; C410-P412 WeakPolarHBondContact O-CD 3.41Å
411	L	76.9	Confident	61.5	Low	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.358	C	S	.	.			trans	-127.1	60.7	-175.5	-56.8	169	0	0	0	111.2	I297 Y407 L408 H413 L414 I480	I297-L411 HydrophobicContact CB-CD2 4.12Å; I297-L411 HydrophobicContact CD1-CD2 3.72Å; I297-L411 HydrophobicContact CG2-CD2 3.76Å; I297-L411 HydrophobicContact CG2-CG 4.38Å; Y407-L411 WeakPolarHBondContact O-CB 3.33Å; Y407-L411 PolarHBondContact O-N 2.97Å; L408-L411 CarbonylContact O-C 3.47Å; L411-H413 PolarHBondContact O-N 3.12Å; L411-H413 VanDerWaalsContact O-N 3.08Å; L411-L414 HydrophobicContact CB-CD1 3.79Å; L411-L414 HydrophobicContact CB-CG 4.04Å; L411-L414 HydrophobicContact CD1-CD1 3.94Å; L411-L414 WeakPolarHBondContact O-CB 3.39Å; L411-L414 PolarHBondContact O-N 2.88Å; L411-I480 HydrophobicContact CD1-CD1 3.86Å
412	P	68.7	Low	59.9	Low	28 Å²	28	63.2 Å²	63.2	18%	0.182	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-64.9	-17.2	-169.7	25.5	-35.4	0	0	0	114.7	T200 L408 C410 L414 A415	T200-P412 HydrophobicContact CG2-CB 3.95Å; L408-P412 WeakPolarHBondContact O-CA 3.04Å; C410-P412 VanDerWaalsContact C-CD 3.43Å; C410-P412 WeakPolarHBondContact O-CD 3.41Å; P412-L414 PolarHBondContact O-N 3.46Å; P412-A415 WeakPolarHBondContact O-CA 3.28Å; P412-A415 WeakPolarHBondContact O-CB 3.28Å; P412-A415 PolarHBondContact O-N 3.45Å
413	H	67.4	Low	58.1	Low	31 Å²	31	63.5 Å²	63.5	14%	0.144	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-65.7	-18.1	171	55.7	-70.9	0	0	0	114.3	S279 H290 L411	S279-H413 VanDerWaalsContact CA-CG 3.48Å; S279-H413 VanDerWaalsContact CB-ND1 3.28Å; S279-H413 WeakPolarHBondContact CB-ND1 3.49Å; S279-H413 VanDerWaalsContact O-CB 3.23Å; S279-H413 WeakPolarHBondContact O-CB 3.49Å; H290-H413 AromaticContact CE1-CD2 3.13Å; H290-H413 PolarHBondContact CE1-CD2 3.01Å; H290-H413 AromaticContact CE1-NE2 2.87Å; H290-H413 PolarHBondContact CE1-NE2 2.82Å; H290-H413 AromaticContact NE2-CD2 3.31Å; H290-H413 PolarHBondContact NE2-CD2 3.17Å; H290-H413 VanDerWaalsContact NE2-CD2 3.31Å; H290-H413 AromaticContact NE2-CE1 3.53Å; H290-H413 AromaticContact NE2-NE2 2.55Å; H290-H413 PolarHBondContact NE2-NE2 2.67Å; L411-H413 PolarHBondContact O-N 3.12Å; L411-H413 VanDerWaalsContact O-N 3.08Å
414	L	72.2	Confident	56.3	Low	17 Å²	17	68.2 Å²	68.2	9%	0.089	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-79.8	-21.8	170.9	-54.3	-175.5	0	0	0	111.3	H290 L408 L411 P412 R416 Y472 L476 L477 I480	H290-L414 VanDerWaalsContact NE2-CD2 3.25Å; H290-L414 WeakPolarHBondContact NE2-CD2 3.44Å; L408-L414 HydrophobicContact CD2-CB 3.67Å; L411-L414 HydrophobicContact CB-CD1 3.79Å; L411-L414 HydrophobicContact CB-CG 4.04Å; L411-L414 HydrophobicContact CD1-CD1 3.94Å; L411-L414 WeakPolarHBondContact O-CB 3.39Å; L411-L414 PolarHBondContact O-N 2.88Å; P412-L414 PolarHBondContact O-N 3.46Å; L414-R416 PolarHBondContact O-N 3.12Å; L414-R416 VanDerWaalsContact O-N 3.14Å; L414-Y472 WeakPolarHBondContact O-CB 3.37Å; L414-L476 HydrophobicContact CD1-CD2 4.34Å; L414-L476 HydrophobicContact CD1-CG 4.43Å; L414-L476 HydrophobicContact CD2-CD2 3.65Å; L414-L477 HydrophobicContact CB-CD2 4.39Å; L414-L477 HydrophobicContact CD1-CD2 3.64Å; L414-I480 HydrophobicContact CD1-CD1 4.08Å
415	A	56.2	Low	54.2	Low	46 Å²	46	75.5 Å²	75.5	38%	0.38	44%	0.443	S	S	.	.			trans	-85.8	68.8	176.7	0	0	0	0	0	111.7	L408 P412 G417	L408-A415 HydrophobicContact CB-CB 4.29Å; L408-A415 HydrophobicContact CD2-CB 3.77Å; L408-A415 HydrophobicContact CG-CB 4.42Å; P412-A415 WeakPolarHBondContact O-CA 3.28Å; P412-A415 WeakPolarHBondContact O-CB 3.28Å; P412-A415 PolarHBondContact O-N 3.45Å; A415-G417 VanDerWaalsContact C-N 3.31Å; A415-G417 PolarHBondContact O-N 3.37Å
416	R	52.4	Low	52.1	Low	129 Å²	129	81.8 Å²	81.8	49%	0.487	47%	0.471	S	S	.	.			trans	-80.2	78.4	174.5	-64.4	-174.2	-177.6	-176.1	-2.1	110.9	L414	L414-R416 PolarHBondContact O-N 3.12Å; L414-R416 VanDerWaalsContact O-N 3.14Å
417	G	38.9	Very low	49.7	Very low	70 Å²	70	81.5 Å²	81.5	72%	0.722	48%	0.477	S	S	*	.			trans	-61.7	132.5	173.1	0	0	0	0	0	111.4	A415	A415-G417 VanDerWaalsContact C-N 3.31Å; A415-G417 PolarHBondContact O-N 3.37Å
418	S	30.3	Very low	47.3	Very low	63 Å²	63	86.9 Å²	86.9	44%	0.441	51%	0.512	S	S	.	.			trans	-81.5	131.2	175.7	-162.7	0	0	0	0	110.4	T420 C470	S418-T420 PolarHBondContact O-N 3Å; S418-T420 VanDerWaalsContact O-N 3.12Å; S418-C470 PolarHBondContact OG-SG 2.86Å
419	V	29.5	Very low	45	Very low	143 Å²	143	93.4 Å²	93.4	87%	0.867	55%	0.546	S	S	*	.			trans	-88.9	60	175.8	-169.4	0	0	0	0	109.1	S421	V419-S421 VanDerWaalsContact C-N 3.35Å; V419-S421 PolarHBondContact O-N 3.12Å; V419-S421 VanDerWaalsContact O-N 3.1Å
420	T	30.4	Very low	42.7	Very low	90 Å²	90	94.1 Å²	94.1	55%	0.552	56%	0.555	S	S	*	*			trans	-81.7	78.2	176.1	42.6	0	0	0	0	111.1	S418 S422	S418-T420 PolarHBondContact O-N 3Å; S418-T420 VanDerWaalsContact O-N 3.12Å; T420-S422 PolarHBondContact O-N 2.88Å; T420-S422 PolarHBondContact O-OG 2.89Å
421	S	29.2	Very low	40.6	Very low	121 Å²	121	102 Å²	102	85%	0.846	59%	0.594	S	S	*	*	S	Bend	trans	49.8	1.4	146.2	-45.8	0	0	0	0	121.6	V419	V419-S421 VanDerWaalsContact C-N 3.35Å; V419-S421 PolarHBondContact O-N 3.12Å; V419-S421 VanDerWaalsContact O-N 3.1Å
422	S	32.3	Very low	38.4	Very low	106 Å²	106	106.9 Å²	106.9	74%	0.741	63%	0.629	S	S	*	*			trans	-104.2	5.7	-169.2	60.1	0	0	0	0	114.6	T420	T420-S422 PolarHBondContact O-N 2.88Å; T420-S422 PolarHBondContact O-OG 2.89Å
423	S	29.4	Very low	36.6	Very low	114 Å²	114	113.6 Å²	113.6	80%	0.797	66%	0.663	S	S	*	*			trans	-103.2	12.9	-173.7	-43.9	0	0	0	0	114.3
424	I	29.8	Very low	34.8	Very low	142 Å²	142	115.6 Å²	115.6	73%	0.728	69%	0.692	S	S	*	*	S	Bend	trans	-115.4	96.3	178.4	-60.3	177.6	0	0	0	109.3
425	Q	28.8	Very low	33	Very low	156 Å²	156	120.9 Å²	120.9	73%	0.729	73%	0.73	S	S	*	*			trans	47.1	94.1	148.5	-65.5	175.7	-31.8	0	0	118.8
426	H	28.3	Very low	31.7	Very low	201 Å²	201	130.1 Å²	130.1	93%	0.931	76%	0.755	S	S	*	*			trans	-87.4	88.2	135.2	-90.5	-61.6	0	0	0	108.7
427	S	27.1	Very low	30.8	Very low	75 Å²	75	129.1 Å²	129.1	52%	0.524	77%	0.765	S	S	.	*			trans	-148.4	68.1	173.9	61.9	0	0	0	0	110
428	T	33	Very low	30.3	Very low	128 Å²	128	130.8 Å²	130.8	79%	0.785	77%	0.766	S	S	*	*			trans	-122.6	112.4	170.5	50.1	0	0	0	0	107.7
429	N	31.6	Very low	30.1	Very low	154 Å²	154	134.8 Å²	134.8	82%	0.824	78%	0.782	S	S	*	*			trans	-70.5	171.6	-179.5	-63.9	-11.1	0	0	0	111.7
430	D	28.2	Very low	29.9	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	78%	0.779	S	S	*	*			trans	-51.5	140.7	174.3	-46.3	-96.4	0	0	0	113.5
431	I	33	Very low	29.7	Very low	175 Å²	175	136.8 Å²	136.8	90%	0.897	79%	0.793	S	S	*	*			trans	-159.8	142.1	140.4	-100.3	147.8	0	0	0	108.1
432	S	30.7	Very low	29.5	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	79%	0.786	S	S	*	*			trans	-88.3	148.5	-165.8	55.2	0	0	0	0	115.2
433	N	30.7	Very low	29.3	Very low	169 Å²	169	136.4 Å²	136.4	90%	0.904	79%	0.785	S	S	*	*			trans	11.3	111.9	148.5	-61.8	-19.8	0	0	0	118.1
434	G	29.3	Very low	29.1	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	79%	0.787	S	S	*	*			trans	177	106.1	165.7	0	0	0	0	0	116.9
435	S	33.9	Very low	29	Very low	127 Å²	127	137.9 Å²	137.9	89%	0.888	79%	0.785	S	S	*	*			trans	47.5	115.4	146.1	-55.4	0	0	0	0	122.7
436	R	28.4	Very low	29	Very low	241 Å²	241	137 Å²	137	91%	0.909	79%	0.785	S	S	*	*			trans	-55.6	175.1	151.1	-90.6	179.9	170.2	-174.4	-2.8	113.5
437	P	34.1	Very low	29	Very low	107 Å²	107	134.7 Å²	134.7	70%	0.695	78%	0.778	S	S	*	*			cis	-141.4	-169.8	-27.7	36.8	-16.6	0	0	0	114.4
438	S	27.7	Very low	29	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	80%	0.795	S	S	*	*			trans	122.5	123.6	131.4	75.5	0	0	0	0	120.7
439	L	26.5	Very low	28.9	Very low	148 Å²	148	141.6 Å²	141.6	78%	0.775	80%	0.798	S	S	*	*			trans	56.8	110.4	142.1	-59.8	175.9	0	0	0	123.1
440	L	25.6	Very low	28.8	Very low	155 Å²	155	140 Å²	140	81%	0.812	79%	0.793	S	S	*	*				78.7	122.4	128.1	-66	170.1	0	0	0	121.8
441	S	25.8	Very low	28.7	Very low	119 Å²	119	140.2 Å²	140.2	83%	0.832	79%	0.794	S	S	*	*			trans	75.9	45.5	134.5	-160	0	0	0	0	120.2
442	S	26.2	Very low	28.4	Very low	101 Å²	101	140 Å²	140	71%	0.706	79%	0.794	S	S	*	*	S	Bend	trans	-157.4	147.9	141.5	48.4	0	0	0	0	111.9
443	T	26.8	Very low	28.2	Very low	119 Å²	119	139.7 Å²	139.7	73%	0.73	79%	0.792	S	S	*	*			trans	41.3	77.1	164.3	46.1	0	0	0	0	117.7
444	L	26.8	Very low	28	Very low	159 Å²	159	137.7 Å²	137.7	83%	0.832	79%	0.788	S	S	*	*			trans	-98	75	152	-90.1	167.9	0	0	0	109.8
445	N	26.6	Very low	27.9	Very low	127 Å²	127	140.1 Å²	140.1	68%	0.679	79%	0.788	S	S	*	*			trans	-81.5	137.7	157.8	-71.2	-37.9	0	0	0	107.7
446	N	29.7	Very low	27.6	Very low	139 Å²	139	143 Å²	143	74%	0.743	79%	0.785	S	S	*	*	S	Bend	trans	74.7	157.6	-173.5	-39	-65.9	0	0	0	114.6
447	I	26.8	Very low	27.6	Very low	152 Å²	152	138.6 Å²	138.6	78%	0.779	77%	0.774	S	S	*	*			trans	78.5	52.8	-177.1	-37.7	171.2	0	0	0	115
448	E	27.5	Very low	27.3	Very low	189 Å²	189	137.5 Å²	137.5	88%	0.883	77%	0.765	S	S	*	*			trans	-128.8	5	155.1	-76.2	-160.1	142.3	0	0	113.7	V450	E448-V450 PolarHBondContact O-N 3.06Å; E448-V450 VanDerWaalsContact O-N 3.1Å
449	D	30.8	Very low	27.3	Very low	159 Å²	159	140 Å²	140	85%	0.85	76%	0.763	S	S	*	*	S	Bend	trans	-75.6	6.4	-173.5	-76.1	-63.7	0	0	0	116
450	V	29	Very low	27.2	Very low	119 Å²	119	136.9 Å²	136.9	72%	0.721	75%	0.754	S	S	*	*	S	Bend	trans	-134.1	114.6	-174.9	179.5	0	0	0	0	111.2	E448	E448-V450 PolarHBondContact O-N 3.06Å; E448-V450 VanDerWaalsContact O-N 3.1Å
451	L	26	Very low	27.3	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	74%	0.737	S	S	*	*	S	Bend	trans	81.5	153.9	-178.5	-55	160	0	0	0	115.8
452	L	27	Very low	27.3	Very low	170 Å²	170	129 Å²	129	89%	0.89	72%	0.716	S	S	*	*			trans	76.3	77.2	171.9	-52.9	176.9	0	0	0	119.6
453	S	26.6	Very low	27.6	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	71%	0.705	S	S	*	*				-173.8	141.5	121.9	50.2	0	0	0	0	113.8	V455	S453-V455 PolarHBondContact O-N 3.45Å
454	P	27.6	Very low	27.8	Very low	127 Å²	127	128.8 Å²	128.8	83%	0.825	70%	0.698	S	S	*	*			trans	-81.2	102.3	172.5	31.4	-32.1	0	0	0	110.9	K456	P454-K456 PolarHBondContact O-N 3.01Å; P454-K456 VanDerWaalsContact O-N 3.17Å
455	V	27.6	Very low	27.9	Very low	123 Å²	123	126.3 Å²	126.3	75%	0.745	68%	0.678	S	S	*	*			trans	-60.4	115.9	-177.8	179.8	0	0	0	0	111.7	S453 Q457	S453-V455 PolarHBondContact O-N 3.45Å; V455-Q457 PolarHBondContact O-N 3.49Å
456	K	27.7	Very low	28	Very low	189 Å²	189	125.2 Å²	125.2	82%	0.822	68%	0.678	S	S	*	*			trans	-68.4	90.4	172.5	-72.7	-179.3	178.8	173.8	0	110.6	P454 T458	P454-K456 PolarHBondContact O-N 3.01Å; P454-K456 VanDerWaalsContact O-N 3.17Å; K456-T458 PolarHBondContact O-N 2.93Å
457	Q	28.4	Very low	28	Very low	148 Å²	148	126.8 Å²	126.8	69%	0.692	68%	0.678	S	S	*	*			trans	-63.9	96.5	173.1	-69	178.2	-17.9	0	0	111.3	V455 F459	V455-Q457 PolarHBondContact O-N 3.49Å; Q457-F459 PolarHBondContact O-N 2.97Å
458	T	27.2	Very low	28.3	Very low	83 Å²	83	122.3 Å²	122.3	51%	0.509	66%	0.66	S	S	.	*			trans	-83	108	175.5	39	0	0	0	0	111.7	F221 K456	F221-T458 WeakPolarHBondContact CE2-O 3.49Å; F221-T458 WeakPolarHBondContact CZ-O 3.45Å; K456-T458 PolarHBondContact O-N 2.93Å
459	F	26.7	Very low	28.4	Very low	157 Å²	157	120.4 Å²	120.4	69%	0.689	66%	0.656	S	S	*	*			trans	45.2	76.3	148	-64.1	-83.3	0	0	0	120.1	F221 Q457	F221-F459 WeakPolarHBondContact CE2-O 3.05Å; F221-F459 VanDerWaalsContact CZ-C 3.43Å; F221-F459 WeakPolarHBondContact CZ-O 3.09Å; Q457-F459 PolarHBondContact O-N 2.97Å
460	S	26	Very low	28.3	Very low	84 Å²	84	116 Å²	116	59%	0.587	64%	0.638	S	S	*	*			trans	-73.9	122.4	138.5	-65	0	0	0	0	108.4	F221 G462	F221-S460 WeakPolarHBondContact CE1-OG 3.38Å; S460-G462 PolarHBondContact O-N 2.8Å
461	P	26.8	Very low	28.8	Very low	70 Å²	70	118 Å²	118	46%	0.455	63%	0.632	S	S	.	*			trans	-68.1	126.1	-174.7	-24	35.6	0	0	0	113.6	D610	P461-D610 HydrophobicContact CB-CB 4.39Å; P461-D610 WeakPolarHBondContact CB-OD2 3.35Å; P461-D610 VanDerWaalsContact CG-OD2 3.26Å; P461-D610 WeakPolarHBondContact CG-OD2 3.44Å
462	G	26.4	Very low	30.3	Very low	37 Å²	37	112.2 Å²	112.2	38%	0.381	60%	0.6	S	S	.	*			trans	59.3	98.8	159.1	0	0	0	0	0	117.5	S460 H626	S460-G462 PolarHBondContact O-N 2.8Å; G462-H626 PolarHBondContact O-CE1 3.12Å
463	W	31.8	Very low	32.3	Very low	128 Å²	128	106.8 Å²	106.8	49%	0.485	58%	0.575	S	S	.	*			trans	-125.7	129.3	154	-68.9	120.4	0	0	0	109.5	I280 G281 L284 Y465	I280-W463 VanDerWaalsContact O-CH2 3.28Å; I280-W463 WeakPolarHBondContact O-CH2 3.42Å; I280-W463 WeakPolarHBondContact O-CZ2 3.33Å; G281-W463 WeakPolarHBondContact O-CZ3 3.24Å; L284-W463 HydrophobicContact CD2-CE3 4.24Å; L284-W463 HydrophobicContact CD2-CZ3 3.88Å; W463-Y465 PolarHBondContact O-N 3.14Å
464	P	31.7	Very low	34.5	Very low	89 Å²	89	104.4 Å²	104.4	58%	0.578	56%	0.557	S	S	*	*	S	Bend	trans	-79.8	5.7	-176.7	33.6	-37	0	0	0	113.6	L284	L284-P464 HydrophobicContact CD2-CG 4.39Å
465	Y	28.6	Very low	37	Very low	107 Å²	107	102.4 Å²	102.4	42%	0.42	54%	0.542	S	S	.	.	S	Bend	trans	-84	127.9	165.2	-65.2	-75.3	0	0	0	108.2	W463	W463-Y465 PolarHBondContact O-N 3.14Å
466	P	28.7	Very low	39.7	Very low	104 Å²	104	96.8 Å²	96.8	68%	0.675	51%	0.508	S	S	*	.			trans	-56.7	161.9	169.7	25.7	-34.1	0	0	0	110.2	S468	P466-S468 PolarHBondContact O-N 2.85Å
467	K	30	Very low	42.4	Very low	171 Å²	171	87.9 Å²	87.9	74%	0.743	47%	0.47	S	S	*	.			trans	-64.7	88	165.5	-76.9	-168.2	170.8	-166.5	0	107.9	D469	K467-D469 PolarHBondContact O-N 2.86Å
468	S	32.4	Very low	45.1	Very low	58 Å²	58	82.9 Å²	82.9	41%	0.406	45%	0.451	S	S	.	.			trans	-74	107.2	-175.6	56.4	0	0	0	0	109.9	P466 C470	P466-S468 PolarHBondContact O-N 2.85Å; S468-C470 PolarHBondContact O-N 2.95Å
469	D	29.3	Very low	48	Very low	149 Å²	149	83.6 Å²	83.6	80%	0.797	44%	0.444	S	S	*	.			trans	-59.1	110.7	175.7	-70	-54.2	0	0	0	111.2	K467 R471	K467-D469 PolarHBondContact O-N 2.86Å; D469-R471 PolarHBondContact O-N 2.84Å
470	C	28.4	Very low	51.1	Low	68 Å²	68	76.1 Å²	76.1	46%	0.459	41%	0.412	S	S	.	.	S	Bend	trans	39.1	67.6	163.2	-56.1	0	0	0	0	116.5	S418 S468	S418-C470 PolarHBondContact OG-SG 2.86Å; S468-C470 PolarHBondContact O-N 2.95Å
471	R	41	Very low	54.1	Low	160 Å²	160	72.6 Å²	72.6	60%	0.604	39%	0.388	S	S	*	.			trans	-168.6	151.1	150.8	-109	153.6	-68.4	-170	6.8	112.8	D469	D469-R471 PolarHBondContact O-N 2.84Å
472	Y	57.1	Low	57.2	Low	37 Å²	37	76 Å²	76	15%	0.145	39%	0.391	C	S	.	.			trans	-67.1	154.7	161.3	54.4	-91.5	0	0	0	109.3	I400 L414 P474 L477	I400-Y472 HydrophobicContact CD1-CE1 4.15Å; I400-Y472 HydrophobicContact CG1-CE1 4.04Å; L414-Y472 WeakPolarHBondContact O-CB 3.37Å; Y472-P474 HydrophobicContact CD2-CB 4.41Å; Y472-P474 HydrophobicContact CD2-CG 4.17Å; Y472-P474 HydrophobicContact CE2-CB 4.08Å; Y472-P474 HydrophobicContact CE2-CG 3.97Å; Y472-P474 WeakPolarHBondContact O-CD 3.39Å; Y472-L477 HydrophobicContact CD2-CD1 3.7Å; Y472-L477 HydrophobicContact CE2-CD1 4.24Å; Y472-L477 HydrophobicContact CG-CD1 4.44Å
473	C	67.6	Low	60.3	Low	56 Å²	56	76.1 Å²	76.1	38%	0.378	38%	0.383	S	S	.	.			trans	-78.7	105.3	177.2	-175	0	0	0	0	110.4	L476 L477	C473-L476 HydrophobicContact CB-CB 3.95Å; C473-L476 PolarHBondContact O-N 2.86Å; C473-L477 PolarHBondContact O-N 3.37Å
474	P	73	Confident	63.2	Low	48 Å²	48	70.1 Å²	70.1	31%	0.312	36%	0.361	S	S	.	.	H	α-helix	trans	-73.9	-34.2	-172.7	-13.2	31.8	0	0	0	111	W363 Y472 L476 L477 S478	W363-P474 HydrophobicContact CE3-CB 4.07Å; W363-P474 HydrophobicContact CZ3-CB 3.82Å; Y472-P474 HydrophobicContact CD2-CB 4.41Å; Y472-P474 HydrophobicContact CD2-CG 4.17Å; Y472-P474 HydrophobicContact CE2-CB 4.08Å; Y472-P474 HydrophobicContact CE2-CG 3.97Å; Y472-P474 WeakPolarHBondContact O-CD 3.39Å; P474-L476 VanDerWaalsContact C-N 3.29Å; P474-L476 PolarHBondContact O-N 2.83Å; P474-L477 PolarHBondContact O-N 3.15Å; P474-S478 VanDerWaalsContact O-CB 3.32Å; P474-S478 WeakPolarHBondContact O-CB 3.46Å; P474-S478 PolarHBondContact O-N 2.94Å
475	V	80.4	Confident	66.1	Low	84 Å²	84	72.2 Å²	72.2	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-58.7	-40.6	176.1	-174.4	0	0	0	0	111.4	F287 R479	F287-V475 HydrophobicContact CZ-CG1 4.24Å; V475-R479 WeakPolarHBondContact O-CB 3.37Å; V475-R479 WeakPolarHBondContact O-CG 3.38Å; V475-R479 PolarHBondContact O-N 3.49Å
476	L	83.8	Confident	69.1	Low	6 Å²	6	73 Å²	73	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-67.7	-47.1	177.8	-178.5	51.7	0	0	0	111.4	F287 H290 V291 L414 C473 P474 S478 R479 I480	F287-L476 HydrophobicContact CE2-CB 3.89Å; F287-L476 HydrophobicContact CE2-CD1 4.07Å; F287-L476 HydrophobicContact CE2-CD2 4.46Å; F287-L476 HydrophobicContact CE2-CG 4.36Å; F287-L476 HydrophobicContact CZ-CB 4.1Å; F287-L476 HydrophobicContact CZ-CD1 4.19Å; H290-L476 HydrophobicContact CB-CD1 4.45Å; V291-L476 HydrophobicContact CG2-CD1 3.6Å; L414-L476 HydrophobicContact CD1-CD2 4.34Å; L414-L476 HydrophobicContact CD1-CG 4.43Å; L414-L476 HydrophobicContact CD2-CD2 3.65Å; C473-L476 HydrophobicContact CB-CB 3.95Å; C473-L476 PolarHBondContact O-N 2.86Å; P474-L476 VanDerWaalsContact C-N 3.29Å; P474-L476 PolarHBondContact O-N 2.83Å; L476-S478 PolarHBondContact O-N 2.8Å; L476-R479 PolarHBondContact O-N 2.98Å; L476-I480 HydrophobicContact CD1-CD1 3.84Å; L476-I480 HydrophobicContact CD1-CG1 4.23Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 WeakPolarHBondContact O-CB 3.31Å; L476-I480 WeakPolarHBondContact O-CD1 3.36Å; L476-I480 VanDerWaalsContact O-CG1 3.24Å; L476-I480 WeakPolarHBondContact O-CG1 3.42Å; L476-I480 PolarHBondContact O-N 3.01Å
477	L	85.9	Confident	72.1	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-42.5	176.2	-66	175.5	0	0	0	112	L408 L414 Y472 C473 P474 I480 A481	L408-L477 HydrophobicContact CD1-CD1 4.36Å; L408-L477 HydrophobicContact CD2-CD1 4.05Å; L408-L477 HydrophobicContact CD2-CD2 4.13Å; L408-L477 HydrophobicContact CG-CD1 4.18Å; L408-L477 HydrophobicContact CG-CD2 4.42Å; L414-L477 HydrophobicContact CB-CD2 4.39Å; L414-L477 HydrophobicContact CD1-CD2 3.64Å; Y472-L477 HydrophobicContact CD2-CD1 3.7Å; Y472-L477 HydrophobicContact CE2-CD1 4.24Å; Y472-L477 HydrophobicContact CG-CD1 4.44Å; C473-L477 PolarHBondContact O-N 3.37Å; P474-L477 PolarHBondContact O-N 3.15Å; L477-I480 PolarHBondContact O-N 3.42Å; L477-A481 VanDerWaalsContact O-CB 3.3Å; L477-A481 WeakPolarHBondContact O-CB 3.41Å; L477-A481 PolarHBondContact O-N 3.42Å
478	S	84.6	Confident	75	Confident	43 Å²	43	70.6 Å²	70.6	30%	0.301	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-42.9	177.7	-177.4	0	0	0	0	112.1	P474 L476 A481 R482	P474-S478 VanDerWaalsContact O-CB 3.32Å; P474-S478 WeakPolarHBondContact O-CB 3.46Å; P474-S478 PolarHBondContact O-N 2.94Å; L476-S478 PolarHBondContact O-N 2.8Å; S478-A481 PolarHBondContact O-N 3.29Å; S478-R482 WeakPolarHBondContact O-CB 3.26Å; S478-R482 PolarHBondContact O-N 2.93Å
479	R	88.4	Confident	77.8	Confident	97 Å²	97	70.7 Å²	70.7	37%	0.366	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-43.1	173.4	-76.2	-174	-173.7	-152.2	0.7	112.7	E288 V291 V475 L476 A481 R482 L483	E288-R479 IonicContact OE2-CZ 3.48Å; E288-R479 IonicContact OE2-NH1 3.69Å; E288-R479 PolarHBondContact OE2-NH1 3.28Å; V291-R479 HydrophobicContact CB-CB 4.46Å; V291-R479 HydrophobicContact CG1-CB 3.82Å; V291-R479 HydrophobicContact CG2-CB 3.71Å; V475-R479 WeakPolarHBondContact O-CB 3.37Å; V475-R479 WeakPolarHBondContact O-CG 3.38Å; V475-R479 PolarHBondContact O-N 3.49Å; L476-R479 PolarHBondContact O-N 2.98Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 3.04Å; R479-R482 PolarHBondContact O-N 3.1Å; R479-L483 PolarHBondContact O-N 3.32Å
480	I	91.3	Very high	80.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.1	-47.8	173.8	-73.3	164.8	0	0	0	110	V291 Y407 L411 L414 L476 L477 R482 L483 H484	V291-I480 HydrophobicContact CG1-CG1 4.48Å; Y407-I480 HydrophobicContact CD1-CG2 3.66Å; Y407-I480 HydrophobicContact CE1-CG2 3.84Å; Y407-I480 HydrophobicContact CG-CG2 4.37Å; L411-I480 HydrophobicContact CD1-CD1 3.86Å; L414-I480 HydrophobicContact CD1-CD1 4.08Å; L476-I480 HydrophobicContact CD1-CD1 3.84Å; L476-I480 HydrophobicContact CD1-CG1 4.23Å; L476-I480 HydrophobicContact CG-CD1 3.9Å; L476-I480 WeakPolarHBondContact O-CB 3.31Å; L476-I480 WeakPolarHBondContact O-CD1 3.36Å; L476-I480 VanDerWaalsContact O-CG1 3.24Å; L476-I480 WeakPolarHBondContact O-CG1 3.42Å; L476-I480 PolarHBondContact O-N 3.01Å; L477-I480 PolarHBondContact O-N 3.42Å; I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 3.16Å; I480-L483 PolarHBondContact O-N 3.28Å; I480-H484 VanDerWaalsContact O-CB 3.24Å; I480-H484 WeakPolarHBondContact O-CB 3.42Å; I480-H484 PolarHBondContact O-N 3.12Å
481	A	90	Very high	84	Confident	10 Å²	10	65.3 Å²	65.3	8%	0.083	32%	0.322	C	S	.	.	H	α-helix	trans	-64.4	-35.2	178.9	0	0	0	0	0	113.1	Y407 L477 S478 R479 R485	Y407-A481 HydrophobicContact CD2-CB 4.26Å; Y407-A481 HydrophobicContact CE2-CB 3.48Å; Y407-A481 VanDerWaalsContact CE2-CB 3.48Å; Y407-A481 WeakPolarHBondContact OH-CA 3.48Å; L477-A481 VanDerWaalsContact O-CB 3.3Å; L477-A481 WeakPolarHBondContact O-CB 3.41Å; L477-A481 PolarHBondContact O-N 3.42Å; S478-A481 PolarHBondContact O-N 3.29Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 3.04Å; A481-R485 WeakPolarHBondContact O-CG 3.41Å; A481-R485 PolarHBondContact O-N 2.54Å
482	R	90.2	Very high	86.6	Confident	142 Å²	142	62.2 Å²	62.2	54%	0.536	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-48	173.6	-171.9	176.9	72.1	156.2	2.4	111.2	S478 R479 I480 R485 N486	S478-R482 WeakPolarHBondContact O-CB 3.26Å; S478-R482 PolarHBondContact O-N 2.93Å; R479-R482 PolarHBondContact O-N 3.1Å; I480-R482 VanDerWaalsContact C-N 3.34Å; I480-R482 PolarHBondContact O-N 3.16Å; R482-R485 PolarHBondContact O-N 3.11Å; R482-N486 PolarHBondContact O-OD1 2.92Å
483	L	92.1	Very high	88.3	Confident	40 Å²	40	66.4 Å²	66.4	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-37.6	-179.6	-177.8	59	0	0	0	112.2	V291 I292 A295 R479 I480 R485 N486 L487	V291-L483 HydrophobicContact CG1-CB 4.36Å; V291-L483 HydrophobicContact CG1-CD2 4.01Å; I292-L483 HydrophobicContact CB-CD2 4.35Å; I292-L483 HydrophobicContact CG1-CD2 3.96Å; A295-L483 HydrophobicContact CB-CB 3.85Å; A295-L483 HydrophobicContact CB-CD2 3.76Å; A295-L483 HydrophobicContact CB-CG 3.7Å; R479-L483 PolarHBondContact O-N 3.32Å; I480-L483 PolarHBondContact O-N 3.28Å; L483-R485 VanDerWaalsContact C-N 3.28Å; L483-R485 PolarHBondContact O-N 2.9Å; L483-N486 WeakPolarHBondContact O-CA 3.34Å; L483-N486 WeakPolarHBondContact O-CB 2.97Å; L483-N486 PolarHBondContact O-N 3.49Å; L483-L487 PolarHBondContact O-N 3.43Å
484	H	93.8	Very high	89.7	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-34.3	177.6	-175	-149.5	0	0	0	112.7	A295 Q299 G303 Y407 I480 N486 L487	A295-H484 HydrophobicContact CB-CB 4.32Å; Q299-H484 WeakPolarHBondContact CA-NE2 3.43Å; Q299-H484 PolarHBondContact N-NE2 3.21Å; Q299-H484 PolarHBondContact OE1-CD2 2.91Å; Q299-H484 PolarHBondContact OE1-NE2 2.86Å; G303-H484 PolarHBondContact O-CE1 3.11Å; G303-H484 PolarHBondContact O-NE2 3.36Å; Y407-H484 HydrophobicContact CE1-CB 4.21Å; Y407-H484 AromaticContact CE1-ND1 3.45Å; Y407-H484 WeakPolarHBondContact CE1-ND1 3.32Å; Y407-H484 AromaticContact CZ-ND1 3.58Å; Y407-H484 PolarHBondContact OH-ND1 3.24Å; I480-H484 VanDerWaalsContact O-CB 3.24Å; I480-H484 WeakPolarHBondContact O-CB 3.42Å; I480-H484 PolarHBondContact O-N 3.12Å; H484-N486 PolarHBondContact O-N 2.77Å; H484-L487 PolarHBondContact O-N 2.99Å; H484-L487 VanDerWaalsContact O-N 3.14Å
485	R	91.9	Very high	90.7	Very high	132 Å²	132	64.8 Å²	64.8	50%	0.498	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-31.8	171.9	-68.4	165.2	-172.4	-170.2	2.1	112.9	A305 A481 R482 L483 L487 R488	A305-R485 HydrophobicContact CB-CG 4.21Å; A481-R485 WeakPolarHBondContact O-CG 3.41Å; A481-R485 PolarHBondContact O-N 2.54Å; R482-R485 PolarHBondContact O-N 3.11Å; L483-R485 VanDerWaalsContact C-N 3.28Å; L483-R485 PolarHBondContact O-N 2.9Å; R485-L487 VanDerWaalsContact C-N 3.32Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å
486	N	92.1	Very high	91.5	Very high	124 Å²	124	61 Å²	61	66%	0.663	30%	0.295	S	S	*	.	H	α-helix	trans	-81.3	-11.2	-179.7	-60.6	5.2	0	0	0	112.8	R482 L483 H484 R488	R482-N486 PolarHBondContact O-OD1 2.92Å; L483-N486 WeakPolarHBondContact O-CA 3.34Å; L483-N486 WeakPolarHBondContact O-CB 2.97Å; L483-N486 PolarHBondContact O-N 3.49Å; H484-N486 PolarHBondContact O-N 2.77Å; N486-R488 VanDerWaalsContact C-N 3.33Å
487	L	91.7	Very high	92.1	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.136	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.7	175.2	-59.3	177.3	0	0	0	113	A295 L296 Q299 L483 H484 R485 G489 M490	A295-L487 HydrophobicContact CB-CD1 4.03Å; A295-L487 WeakPolarHBondContact O-CD1 3.3Å; L296-L487 HydrophobicContact CD2-CD1 4.03Å; L296-L487 HydrophobicContact CG-CD1 4.42Å; Q299-L487 HydrophobicContact CB-CB 4.39Å; Q299-L487 HydrophobicContact CB-CD1 4.02Å; Q299-L487 HydrophobicContact CG-CB 4.1Å; Q299-L487 PolarHBondContact NE2-O 3.14Å; Q299-L487 PolarHBondContact OE1-O 2.9Å; L483-L487 PolarHBondContact O-N 3.43Å; H484-L487 PolarHBondContact O-N 2.99Å; H484-L487 VanDerWaalsContact O-N 3.14Å; R485-L487 VanDerWaalsContact C-N 3.32Å; L487-G489 PolarHBondContact O-N 3.32Å; L487-M490 HydrophobicContact CD2-CE 3.92Å; L487-M490 HydrophobicContact CD2-SD 4.38Å; L487-M490 WeakPolarHBondContact O-CB 3.31Å; L487-M490 PolarHBondContact O-N 3.36Å
488	R	89.9	Confident	92.6	Very high	199 Å²	199	63.5 Å²	63.5	75%	0.751	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	121.7	-178.8	-177.1	-176.9	179.9	-145.9	-2.3	111.4	N304 R485 N486	N304-R488 HydrophobicContact CB-CG 4.43Å; N304-R488 WeakPolarHBondContact OD1-CA 3.27Å; R485-R488 WeakPolarHBondContact O-CB 3.49Å; N486-R488 VanDerWaalsContact C-N 3.33Å
489	G	90.9	Very high	93.2	Very high	59 Å²	59	61.5 Å²	61.5	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	107	-19.1	-176.5	0	0	0	0	0	113.4	N304 L487 P491	N304-G489 PolarHBondContact OD1-N 3.5Å; L487-G489 PolarHBondContact O-N 3.32Å; G489-P491 WeakPolarHBondContact O-CD 3.26Å
490	M	94.4	Very high	93.6	Very high	38 Å²	38	56.9 Å²	56.9	19%	0.187	28%	0.279	C	S	.	.			trans	-69.1	121.3	178.6	-174.7	175.1	-69.5	0	0	111.1	L296 Q299 L487 D494 A495	L296-M490 HydrophobicContact CD2-SD 4.21Å; Q299-M490 HydrophobicContact CG-CB 4.17Å; Q299-M490 HydrophobicContact CG-CG 4.5Å; Q299-M490 PolarHBondContact NE2-O 3.47Å; L487-M490 HydrophobicContact CD2-CE 3.92Å; L487-M490 HydrophobicContact CD2-SD 4.38Å; L487-M490 WeakPolarHBondContact O-CB 3.31Å; L487-M490 PolarHBondContact O-N 3.36Å; M490-D494 HydrophobicContact CG-CB 4.12Å; M490-A495 HydrophobicContact CG-CB 4.25Å; M490-A495 HydrophobicContact SD-CB 3.96Å
491	P	94.1	Very high	93.8	Very high	66 Å²	66	61.8 Å²	61.8	43%	0.429	30%	0.3	S	S	.	.			trans	-72.6	155.5	176.2	31.7	-35.7	0	0	0	111	G489 K493 D494 A495	G489-P491 WeakPolarHBondContact O-CD 3.26Å; P491-K493 VanDerWaalsContact C-N 3.26Å; P491-K493 PolarHBondContact O-N 3.22Å; P491-K493 VanDerWaalsContact O-N 3.16Å; P491-D494 HydrophobicContact CG-CB 4.03Å; P491-D494 WeakPolarHBondContact CG-OD2 3.37Å; P491-D494 PolarHBondContact O-N 3.33Å; P491-A495 PolarHBondContact O-N 2.93Å
492	Q	94.3	Very high	94	Very high	96 Å²	96	63.1 Å²	63.1	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-50.7	-43.4	-178.1	-175.5	-168.2	-36.1	0	0	112.7	D494 A495 E496	Q492-D494 VanDerWaalsContact C-N 3.27Å; Q492-D494 PolarHBondContact O-N 3.1Å; Q492-A495 PolarHBondContact O-N 3.03Å; Q492-E496 HydrophobicContact CG-CG 4.48Å; Q492-E496 PolarHBondContact NE2-OE1 3.24Å; Q492-E496 WeakPolarHBondContact O-CG 3.23Å; Q492-E496 PolarHBondContact O-N 2.95Å
493	K	94.4	Very high	94.2	Very high	125 Å²	125	56.4 Å²	56.4	54%	0.543	28%	0.281	S	S	.	.	H	α-helix	trans	-53.5	-41.6	176.7	177.7	-168.6	170.9	-166.6	0	112.9	P491 E496 I497	P491-K493 VanDerWaalsContact C-N 3.26Å; P491-K493 PolarHBondContact O-N 3.22Å; P491-K493 VanDerWaalsContact O-N 3.16Å; K493-E496 WeakPolarHBondContact O-CB 3.36Å; K493-I497 HydrophobicContact CG-CD1 4.03Å; K493-I497 WeakPolarHBondContact O-CD1 3.4Å; K493-I497 VanDerWaalsContact O-CG1 3.27Å; K493-I497 WeakPolarHBondContact O-CG1 3.35Å; K493-I497 PolarHBondContact O-N 3.45Å
494	D	95.3	Very high	94.3	Very high	70 Å²	70	57.1 Å²	57.1	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-85.5	-28.2	-175.5	-61.6	-22	0	0	0	111.1	M490 P491 Q492 I497 S498	M490-D494 HydrophobicContact CG-CB 4.12Å; P491-D494 HydrophobicContact CG-CB 4.03Å; P491-D494 WeakPolarHBondContact CG-OD2 3.37Å; P491-D494 PolarHBondContact O-N 3.33Å; Q492-D494 VanDerWaalsContact C-N 3.27Å; Q492-D494 PolarHBondContact O-N 3.1Å; D494-I497 PolarHBondContact O-N 3.33Å; D494-S498 WeakPolarHBondContact O-CB 3.46Å; D494-S498 PolarHBondContact O-N 3.15Å
495	A	96.1	Very high	94.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-43	165.7	0	0	0	0	0	111.6	Q299 M300 M490 P491 Q492 S498 F499	Q299-A495 HydrophobicContact CB-CB 4.17Å; Q299-A495 HydrophobicContact CG-CB 3.97Å; M300-A495 HydrophobicContact CG-CB 3.66Å; M490-A495 HydrophobicContact CG-CB 4.25Å; M490-A495 HydrophobicContact SD-CB 3.96Å; P491-A495 PolarHBondContact O-N 2.93Å; Q492-A495 PolarHBondContact O-N 3.03Å; A495-S498 PolarHBondContact O-N 3.44Å; A495-F499 WeakPolarHBondContact O-CB 3.29Å; A495-F499 PolarHBondContact O-N 2.87Å
496	E	96.4	Very high	94.2	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-53.2	171.1	-72	165	-175.3	0	0	111.3	R267 M300 Q492 K493 S498 F499 L500	R267-E496 IonicContact CZ-OE2 3.68Å; R267-E496 VanDerWaalsContact CZ-OE2 3.23Å; R267-E496 IonicContact NE-OE2 2.69Å; R267-E496 PolarHBondContact NE-OE2 2.83Å; R267-E496 IonicContact NH2-OE2 3.86Å; R267-E496 PolarHBondContact NH2-OE2 2.86Å; M300-E496 HydrophobicContact CG-CG 4.15Å; M300-E496 VanDerWaalsContact SD-CA 3.55Å; M300-E496 HydrophobicContact SD-CB 4.11Å; M300-E496 HydrophobicContact SD-CG 3.61Å; Q492-E496 HydrophobicContact CG-CG 4.48Å; Q492-E496 PolarHBondContact NE2-OE1 3.24Å; Q492-E496 WeakPolarHBondContact O-CG 3.23Å; Q492-E496 PolarHBondContact O-N 2.95Å; K493-E496 WeakPolarHBondContact O-CB 3.36Å; E496-S498 VanDerWaalsContact C-N 3.32Å; E496-S498 PolarHBondContact O-N 3.35Å; E496-F499 WeakPolarHBondContact O-CB 3.26Å; E496-F499 PolarHBondContact O-N 3.11Å; E496-L500 WeakPolarHBondContact O-CB 3.38Å; E496-L500 VanDerWaalsContact O-CG 3.27Å; E496-L500 WeakPolarHBondContact O-CG 3.48Å; E496-L500 PolarHBondContact O-N 3.09Å
497	I	96	Very high	93.8	Very high	34 Å²	34	56.1 Å²	56.1	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-39.4	-178.9	-69.8	165.8	0	0	0	111.1	D258 K493 D494 L500 K501	D258-I497 HydrophobicContact CB-CG2 4.37Å; K493-I497 HydrophobicContact CG-CD1 4.03Å; K493-I497 WeakPolarHBondContact O-CD1 3.4Å; K493-I497 VanDerWaalsContact O-CG1 3.27Å; K493-I497 WeakPolarHBondContact O-CG1 3.35Å; K493-I497 PolarHBondContact O-N 3.45Å; D494-I497 PolarHBondContact O-N 3.33Å; I497-L500 PolarHBondContact O-N 3.19Å; I497-K501 HydrophobicContact CG2-CD 4.01Å; I497-K501 HydrophobicContact CG2-CG 4.49Å; I497-K501 VanDerWaalsContact O-CB 3.31Å; I497-K501 WeakPolarHBondContact O-CB 3.3Å; I497-K501 VanDerWaalsContact O-CG 3.24Å; I497-K501 WeakPolarHBondContact O-CG 3.49Å; I497-K501 PolarHBondContact O-N 3.05Å
498	S	95.9	Very high	93.5	Very high	27 Å²	27	55.6 Å²	55.6	19%	0.189	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-41	175.9	-175.1	0	0	0	0	112.5	D494 A495 E496 K501 N502	D494-S498 WeakPolarHBondContact O-CB 3.46Å; D494-S498 PolarHBondContact O-N 3.15Å; A495-S498 PolarHBondContact O-N 3.44Å; E496-S498 VanDerWaalsContact C-N 3.32Å; E496-S498 PolarHBondContact O-N 3.35Å; S498-K501 PolarHBondContact O-N 3.44Å; S498-N502 PolarHBondContact O-N 2.89Å; S498-N502 VanDerWaalsContact O-N 3.11Å; S498-N502 PolarHBondContact O-ND2 3.47Å
499	F	96.9	Very high	93.7	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-59.7	-50.1	173	176	-104.4	0	0	0	110.7	C271 L274 L293 L296 I297 M300 A495 E496 K501 N502 V503	C271-F499 HydrophobicContact CB-CD1 4.19Å; C271-F499 HydrophobicContact CB-CE1 4.15Å; L274-F499 HydrophobicContact CB-CE1 3.8Å; L274-F499 HydrophobicContact CB-CZ 3.98Å; L274-F499 HydrophobicContact CD1-CE1 4.24Å; L293-F499 HydrophobicContact CB-CE2 4.3Å; L293-F499 HydrophobicContact CD2-CD2 3.75Å; L293-F499 HydrophobicContact CD2-CE2 3.95Å; L296-F499 HydrophobicContact CB-CB 4.24Å; L296-F499 HydrophobicContact CB-CD2 4.38Å; L296-F499 HydrophobicContact CD1-CB 4.48Å; I297-F499 HydrophobicContact CD1-CE2 3.69Å; I297-F499 HydrophobicContact CD1-CZ 4.23Å; I297-F499 HydrophobicContact CG1-CD2 4.07Å; I297-F499 HydrophobicContact CG1-CE2 3.62Å; I297-F499 HydrophobicContact CG1-CZ 4.2Å; M300-F499 HydrophobicContact CE-CB 3.95Å; M300-F499 HydrophobicContact CE-CD1 3.86Å; M300-F499 HydrophobicContact CE-CD2 3.96Å; M300-F499 HydrophobicContact CE-CE1 4.3Å; M300-F499 HydrophobicContact CE-CE2 4.42Å; M300-F499 HydrophobicContact CE-CG 3.66Å; M300-F499 HydrophobicContact SD-CB 4.27Å; M300-F499 HydrophobicContact SD-CD1 4.48Å; M300-F499 HydrophobicContact SD-CG 4.46Å; A495-F499 WeakPolarHBondContact O-CB 3.29Å; A495-F499 PolarHBondContact O-N 2.87Å; E496-F499 WeakPolarHBondContact O-CB 3.26Å; E496-F499 PolarHBondContact O-N 3.11Å; F499-K501 PolarHBondContact O-N 3.25Å; F499-N502 PolarHBondContact O-N 2.79Å; F499-N502 VanDerWaalsContact O-N 3.11Å; F499-V503 HydrophobicContact CD1-CG2 4.27Å; F499-V503 HydrophobicContact CD2-CG2 3.97Å; F499-V503 HydrophobicContact CE1-CG2 4.01Å; F499-V503 HydrophobicContact CE2-CG2 3.66Å; F499-V503 HydrophobicContact CG-CG2 4.26Å; F499-V503 HydrophobicContact CZ-CG2 3.7Å; F499-V503 WeakPolarHBondContact O-CG2 3.07Å; F499-V503 PolarHBondContact O-N 3.36Å
500	L	96.8	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-42.1	176.8	-67.7	178.8	0	0	0	112.9	P257 D258 R267 F270 L274 E496 I497 N502 K504	P257-L500 HydrophobicContact CB-CD1 4.35Å; P257-L500 HydrophobicContact CB-CD2 4.22Å; P257-L500 HydrophobicContact CG-CB 4.15Å; P257-L500 HydrophobicContact CG-CD2 4.26Å; D258-L500 HydrophobicContact CB-CB 4.23Å; R267-L500 HydrophobicContact CG-CD1 3.63Å; F270-L500 HydrophobicContact CD1-CD2 3.67Å; F270-L500 HydrophobicContact CE1-CD2 4.11Å; L274-L500 HydrophobicContact CD1-CD2 3.6Å; E496-L500 WeakPolarHBondContact O-CB 3.38Å; E496-L500 VanDerWaalsContact O-CG 3.27Å; E496-L500 WeakPolarHBondContact O-CG 3.48Å; E496-L500 PolarHBondContact O-N 3.09Å; I497-L500 PolarHBondContact O-N 3.19Å; L500-N502 PolarHBondContact O-N 3.33Å; L500-K504 WeakPolarHBondContact O-CB 3.05Å; L500-K504 WeakPolarHBondContact O-CG 3.29Å; L500-K504 PolarHBondContact O-N 3.42Å; L500-K504 VanDerWaalsContact O-N 3.13Å
501	K	95.7	Very high	93.5	Very high	102 Å²	102	42.2 Å²	42.2	44%	0.443	21%	0.212	S	C	.	.	H	α-helix	trans	-59.7	-28.5	174.4	-82.3	172.7	179.2	-180	0	113.3	D258 I497 S498 F499 K505	D258-K501 HydrophobicContact CB-CG 3.9Å; D258-K501 WeakPolarHBondContact OD2-CG 3.43Å; I497-K501 HydrophobicContact CG2-CD 4.01Å; I497-K501 HydrophobicContact CG2-CG 4.49Å; I497-K501 VanDerWaalsContact O-CB 3.31Å; I497-K501 WeakPolarHBondContact O-CB 3.3Å; I497-K501 VanDerWaalsContact O-CG 3.24Å; I497-K501 WeakPolarHBondContact O-CG 3.49Å; I497-K501 PolarHBondContact O-N 3.05Å; S498-K501 PolarHBondContact O-N 3.44Å; F499-K501 PolarHBondContact O-N 3.25Å; K501-K505 VanDerWaalsContact O-CE 3.27Å; K501-K505 WeakPolarHBondContact O-CE 3.45Å
502	N	94.5	Very high	93.2	Very high	38 Å²	38	39.8 Å²	39.8	20%	0.203	20%	0.195	C	C	.	.	H	α-helix	trans	-93.6	-43.6	178.6	-74	-58	0	0	0	113	L293 S498 F499 L500 K504 K505	L293-N502 HydrophobicContact CD2-CB 4.04Å; S498-N502 PolarHBondContact O-N 2.89Å; S498-N502 VanDerWaalsContact O-N 3.11Å; S498-N502 PolarHBondContact O-ND2 3.47Å; F499-N502 PolarHBondContact O-N 2.79Å; F499-N502 VanDerWaalsContact O-N 3.11Å; L500-N502 PolarHBondContact O-N 3.33Å; N502-K504 VanDerWaalsContact C-N 3.3Å; N502-K504 PolarHBondContact O-N 3.17Å; N502-K505 WeakPolarHBondContact O-CB 3.45Å; N502-K505 PolarHBondContact O-N 3.46Å; N502-K505 VanDerWaalsContact O-N 3.12Å; N502-K505 PolarHBondContact OD1-NZ 3.23Å
503	V	94.5	Very high	92.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-35.9	178.8	177.3	0	0	0	0	111.9	L274 L283 L293 F499 K505 L506 Y509	L274-V503 HydrophobicContact CB-CG1 4.3Å; L274-V503 HydrophobicContact CD1-CB 4.25Å; L274-V503 HydrophobicContact CD1-CG1 3.84Å; L274-V503 HydrophobicContact CD2-CG1 3.93Å; L274-V503 HydrophobicContact CG-CG1 4.24Å; L283-V503 HydrophobicContact CD1-CG1 3.75Å; L283-V503 HydrophobicContact CD2-CG1 4.27Å; L293-V503 HydrophobicContact CD1-CG2 4Å; L293-V503 HydrophobicContact CD2-CG2 3.47Å; L293-V503 VanDerWaalsContact CD2-CG2 3.47Å; L293-V503 HydrophobicContact CG-CG2 4.38Å; F499-V503 HydrophobicContact CD1-CG2 4.27Å; F499-V503 HydrophobicContact CD2-CG2 3.97Å; F499-V503 HydrophobicContact CE1-CG2 4.01Å; F499-V503 HydrophobicContact CE2-CG2 3.66Å; F499-V503 HydrophobicContact CG-CG2 4.26Å; F499-V503 HydrophobicContact CZ-CG2 3.7Å; F499-V503 WeakPolarHBondContact O-CG2 3.07Å; F499-V503 PolarHBondContact O-N 3.36Å; V503-K505 PolarHBondContact O-N 3.47Å; V503-L506 HydrophobicContact CG1-CD1 4.37Å; V503-L506 WeakPolarHBondContact O-CB 3.31Å; V503-L506 PolarHBondContact O-N 3.33Å; V503-Y509 HydrophobicContact CG1-CD2 4Å
504	K	94.4	Very high	92.7	Very high	55 Å²	55	32.2 Å²	32.2	24%	0.239	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.2	177.6	76.7	-176.4	-175.1	179.3	0	114.5	P257 D258 L500 N502 Y509	P257-K504 HydrophobicContact CG-CB 4.3Å; D258-K504 VanDerWaalsContact OD1-CD 3.32Å; D258-K504 WeakPolarHBondContact OD1-CD 2.94Å; D258-K504 WeakPolarHBondContact OD1-CE 3.16Å; D258-K504 IonicContact OD1-NZ 3.95Å; D258-K504 PolarHBondContact OD1-NZ 2.83Å; D258-K504 IonicContact OD2-NZ 2.67Å; D258-K504 PolarHBondContact OD2-NZ 3.29Å; L500-K504 WeakPolarHBondContact O-CB 3.05Å; L500-K504 WeakPolarHBondContact O-CG 3.29Å; L500-K504 PolarHBondContact O-N 3.42Å; L500-K504 VanDerWaalsContact O-N 3.13Å; N502-K504 VanDerWaalsContact C-N 3.3Å; N502-K504 PolarHBondContact O-N 3.17Å; K504-Y509 HydrophobicContact CB-CD1 4.31Å; K504-Y509 HydrophobicContact CB-CE1 4.22Å
505	K	92.9	Very high	92.2	Very high	151 Å²	151	31.1 Å²	31.1	66%	0.657	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-18.3	175.7	-55.3	171.2	-177.1	165.1	0	112.9	K501 N502 V503 S507	K501-K505 VanDerWaalsContact O-CE 3.27Å; K501-K505 WeakPolarHBondContact O-CE 3.45Å; N502-K505 WeakPolarHBondContact O-CB 3.45Å; N502-K505 PolarHBondContact O-N 3.46Å; N502-K505 VanDerWaalsContact O-N 3.12Å; N502-K505 PolarHBondContact OD1-NZ 3.23Å; V503-K505 PolarHBondContact O-N 3.47Å; K505-S507 PolarHBondContact O-N 2.78Å
506	L	90.2	Very high	91.7	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	16%	0.163	C	C	.	.	S	Bend	trans	-65.9	134.6	179.3	-63.8	-175.7	0	0	0	109.9	L283 C285 T289 L293 V503 F508 Y509	L283-L506 HydrophobicContact CB-CD1 3.93Å; L283-L506 HydrophobicContact CD2-CB 4.5Å; L283-L506 HydrophobicContact CD2-CD1 4.17Å; L283-L506 HydrophobicContact CG-CD1 4.45Å; C285-L506 HydrophobicContact CB-CD1 3.99Å; C285-L506 HydrophobicContact CB-CD2 3.51Å; C285-L506 HydrophobicContact CB-CG 4.43Å; T289-L506 HydrophobicContact CG2-CD2 3.9Å; L293-L506 HydrophobicContact CD1-CD1 4.05Å; V503-L506 HydrophobicContact CG1-CD1 4.37Å; V503-L506 WeakPolarHBondContact O-CB 3.31Å; V503-L506 PolarHBondContact O-N 3.33Å; L506-F508 PolarHBondContact O-N 3.19Å; L506-Y509 WeakPolarHBondContact O-CB 3.5Å; L506-Y509 PolarHBondContact O-N 2.87Å
507	S	85.1	Confident	91.1	Very high	68 Å²	68	37 Å²	37	48%	0.476	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.9	-175.9	59.8	0	0	0	0	112	K505 Y509 R628	K505-S507 PolarHBondContact O-N 2.78Å; S507-Y509 VanDerWaalsContact C-N 3.31Å; S507-Y509 PolarHBondContact O-N 3.36Å; S507-R628 PolarHBondContact O-NH1 2.92Å; S507-R628 PolarHBondContact O-NH2 2.84Å
508	F	85.7	Confident	90.5	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.066	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.6	179.7	-74.1	-81.8	0	0	0	115.3	L284 L506 G510 V511 L513 F621 Q623 R628	L284-F508 HydrophobicContact CB-CD2 4.2Å; L284-F508 HydrophobicContact CD1-CD2 3.92Å; L284-F508 HydrophobicContact CD1-CE2 3.92Å; L284-F508 HydrophobicContact CG-CD2 4.4Å; L506-F508 PolarHBondContact O-N 3.19Å; F508-G510 PolarHBondContact O-N 3.01Å; F508-V511 HydrophobicContact CD1-CB 4.44Å; F508-V511 HydrophobicContact CD1-CG2 4.33Å; F508-V511 PolarHBondContact O-N 2.9Å; F508-L513 HydrophobicContact CE1-CD1 4.39Å; F508-F621 HydrophobicContact CD1-CZ 4.37Å; F508-F621 HydrophobicContact CE1-CE2 4.18Å; F508-F621 AromaticContact CE1-CZ 3.94Å; F508-F621 HydrophobicContact CE1-CZ 3.94Å; F508-Q623 VanDerWaalsContact CE1-OE1 3.28Å; F508-R628 VanDerWaalsContact CE1-NH2 3.28Å; F508-R628 VanDerWaalsContact CG-NH2 3.31Å
509	Y	93	Very high	90.1	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.024	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	126.6	170.7	172.3	-108.3	0	0	0	111.9	Y253 P254 P257 F270 L274 V503 K504 L506 S507 V511 F617	Y253-Y509 HydrophobicContact CD1-CE2 4.11Å; P254-Y509 VanDerWaalsContact O-CE1 3.27Å; P254-Y509 WeakPolarHBondContact O-CE1 3.31Å; P254-Y509 PolarHBondContact O-OH 3.16Å; P257-Y509 WeakPolarHBondContact CG-OH 3.44Å; F270-Y509 HydrophobicContact CE1-CE2 4.21Å; F270-Y509 HydrophobicContact CZ-CE2 4.36Å; F270-Y509 WeakPolarHBondContact CZ-OH 3.37Å; L274-Y509 HydrophobicContact CD1-CE2 4.35Å; L274-Y509 HydrophobicContact CD2-CD2 4.05Å; L274-Y509 HydrophobicContact CD2-CE2 3.99Å; V503-Y509 HydrophobicContact CG1-CD2 4Å; K504-Y509 HydrophobicContact CB-CD1 4.31Å; K504-Y509 HydrophobicContact CB-CE1 4.22Å; L506-Y509 WeakPolarHBondContact O-CB 3.5Å; L506-Y509 PolarHBondContact O-N 2.87Å; S507-Y509 VanDerWaalsContact C-N 3.31Å; S507-Y509 PolarHBondContact O-N 3.36Å; Y509-V511 VanDerWaalsContact C-N 3.25Å; Y509-V511 PolarHBondContact O-N 3.14Å; Y509-F617 HydrophobicContact CD1-CE1 4.48Å
510	G	90.6	Very high	89.5	Confident	3 Å²	3	45 Å²	45	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	19.4	173.5	0	0	0	0	0	116.5	Y253 F508	Y253-G510 VanDerWaalsContact CB-CA 3.43Å; F508-G510 PolarHBondContact O-N 3.01Å
511	V	89.9	Confident	88.9	Confident	6 Å²	6	46 Å²	46	4%	0.036	23%	0.226	C	C	.	.			trans	-88.7	129	-178.8	-176.7	0	0	0	0	111.8	R282 F508 Y509 L513 V615 F621	R282-V511 PolarHBondContact NE-O 3.42Å; R282-V511 PolarHBondContact NH2-O 3.19Å; F508-V511 HydrophobicContact CD1-CB 4.44Å; F508-V511 HydrophobicContact CD1-CG2 4.33Å; F508-V511 PolarHBondContact O-N 2.9Å; Y509-V511 VanDerWaalsContact C-N 3.25Å; Y509-V511 PolarHBondContact O-N 3.14Å; V511-L513 HydrophobicContact CG1-CD2 3.47Å; V511-L513 VanDerWaalsContact CG1-CD2 3.47Å; V511-L513 HydrophobicContact CG1-CG 3.91Å; V511-V615 WeakPolarHBondContact CA-O 3.28Å; V511-F621 HydrophobicContact CB-CE1 4.34Å; V511-F621 HydrophobicContact CB-CZ 4.35Å; V511-F621 HydrophobicContact CG1-CE1 3.63Å; V511-F621 HydrophobicContact CG1-CZ 3.51Å; V511-F621 HydrophobicContact CG2-CE1 3.67Å; V511-F621 HydrophobicContact CG2-CZ 3.91Å
512	E	89.4	Confident	88.2	Confident	15 Å²	15	42.5 Å²	42.5	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.8	161.4	-158.8	179.8	169.1	0	0	110.9	H514 G614 V615 R678 H686	E512-H514 PolarHBondContact O-CD2 2.86Å; E512-H514 IonicContact OE1-CE1 3.38Å; E512-H514 IonicContact OE1-NE2 3.61Å; E512-H514 PolarHBondContact OE1-NE2 3.45Å; E512-H514 IonicContact OE2-NE2 2.79Å; E512-G614 CarbonylContact O-C 3.53Å; E512-G614 VanDerWaalsContact O-CA 3.31Å; E512-G614 WeakPolarHBondContact O-CA 3.47Å; E512-V615 HydrophobicContact CB-CB 4.43Å; E512-V615 PolarHBondContact N-O 3.5Å; E512-V615 PolarHBondContact O-N 2.93Å; E512-R678 IonicContact OE1-CZ 2.67Å; E512-R678 IonicContact OE1-NH1 3.96Å; E512-R678 PolarHBondContact OE1-NH1 3.43Å; E512-R678 IonicContact OE1-NH2 3.14Å; E512-R678 PolarHBondContact OE1-NH2 2.89Å; E512-H686 IonicContact OE2-CE1 3.79Å
513	L	87.5	Confident	87.3	Confident	57 Å²	57	44.9 Å²	44.9	30%	0.298	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.1	178.7	-65.1	-178.5	0	0	0	111.7	F508 V511 F621	F508-L513 HydrophobicContact CE1-CD1 4.39Å; V511-L513 HydrophobicContact CG1-CD2 3.47Å; V511-L513 VanDerWaalsContact CG1-CD2 3.47Å; V511-L513 HydrophobicContact CG1-CG 3.91Å; L513-F621 HydrophobicContact CD2-CE2 4.27Å; L513-F621 HydrophobicContact CD2-CZ 4.21Å
514	H	89.2	Confident	86.3	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.3	177.5	-61	-124.3	0	0	0	109.7	E512 S612 L613 F670 R678 F679	E512-H514 PolarHBondContact O-CD2 2.86Å; E512-H514 IonicContact OE1-CE1 3.38Å; E512-H514 IonicContact OE1-NE2 3.61Å; E512-H514 PolarHBondContact OE1-NE2 3.45Å; E512-H514 IonicContact OE2-NE2 2.79Å; H514-S612 WeakPolarHBondContact O-CA 3.42Å; H514-L613 PolarHBondContact N-O 2.89Å; H514-L613 PolarHBondContact O-N 3.15Å; H514-F670 HydrophobicContact CB-CE1 3.9Å; H514-F670 HydrophobicContact CB-CZ 4.42Å; H514-R678 PolarHBondContact CE1-NH1 2.84Å; H514-R678 PolarHBondContact ND1-NH1 3.32Å; H514-F679 HydrophobicContact CB-CB 4.45Å; H514-F679 HydrophobicContact CB-CD2 3.84Å; H514-F679 HydrophobicContact CB-CE2 4.47Å; H514-F679 HydrophobicContact CB-CG 4.38Å; H514-F679 AromaticContact CD2-CD2 3.57Å; H514-F679 VanDerWaalsContact CE1-CA 3.47Å; H514-F679 WeakPolarHBondContact CE1-CA 3.36Å; H514-F679 AromaticContact CE1-CD2 3.81Å; H514-F679 AromaticContact CG-CD2 3.47Å; H514-F679 VanDerWaalsContact CG-CD2 3.47Å; H514-F679 WeakPolarHBondContact ND1-CB 3.18Å; H514-F679 AromaticContact ND1-CD2 3.64Å; H514-F679 AromaticContact NE2-CD2 3.79Å
515	P	85	Confident	84.9	Confident	48 Å²	48	46.5 Å²	46.5	31%	0.312	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141	-177.2	27.7	-35.3	0	0	0	112.5	F222 F611 F670	F222-P515 HydrophobicContact CE1-CG 4.08Å; P515-F611 WeakPolarHBondContact CA-O 3.47Å; P515-F670 VanDerWaalsContact O-CD1 3.25Å; P515-F670 WeakPolarHBondContact O-CD1 3.38Å; P515-F670 WeakPolarHBondContact O-CE1 3.47Å
516	I	86.5	Confident	83.3	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.7	178.2	65.1	174.5	0	0	0	110.6	F519 F611 L613 L622 C668 F670	I516-F519 HydrophobicContact CD1-CB 3.96Å; I516-F519 HydrophobicContact CD1-CD1 4.49Å; I516-F611 HydrophobicContact CD1-CB 4.04Å; I516-F611 HydrophobicContact CG1-CB 3.54Å; I516-F611 PolarHBondContact N-O 2.76Å; I516-L613 HydrophobicContact CD1-CG 4.25Å; I516-L613 HydrophobicContact CG2-CD1 3.98Å; I516-L613 HydrophobicContact CG2-CG 4.03Å; I516-L622 HydrophobicContact CD1-CD1 3.86Å; I516-C668 HydrophobicContact CD1-CB 4.01Å; I516-C668 HydrophobicContact CG2-CB 4.21Å; I516-F670 HydrophobicContact CG2-CD1 4.02Å; I516-F670 HydrophobicContact CG2-CE1 3.56Å; I516-F670 HydrophobicContact CG2-CE2 4.17Å; I516-F670 HydrophobicContact CG2-CG 4.49Å; I516-F670 HydrophobicContact CG2-CZ 3.66Å
517	K	84.2	Confident	81.8	Confident	115 Å²	115	42.9 Å²	42.9	50%	0.5	24%	0.241	S	C	.	.	S	Bend	trans	-78.8	-40.3	179.9	-77.2	-174.4	169.1	170.5	0	113	K669 A671	K517-K669 PolarHBondContact N-O 3.46Å; K517-A671 HydrophobicContact CD-CB 4.36Å; K517-A671 HydrophobicContact CG-CB 4.49Å
518	K	83.3	Confident	80.6	Confident	112 Å²	112	41.5 Å²	41.5	49%	0.487	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	158.7	-180	-68.3	-157.7	177.1	-152.8	0	110.4	N604 K669	K518-N604 WeakPolarHBondContact CA-OD1 3.22Å; K518-N604 WeakPolarHBondContact CB-OD1 3.5Å; K518-N604 HydrophobicContact CD-CB 4.43Å; K518-K669 PolarHBondContact O-N 2.83Å
519	F	86.9	Confident	79.2	Confident	11 Å²	11	41.8 Å²	41.8	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.5	171.1	75.2	-81.7	0	0	0	113	I516 F599 F603 N604 F611 L622 L666 K667	I516-F519 HydrophobicContact CD1-CB 3.96Å; I516-F519 HydrophobicContact CD1-CD1 4.49Å; F519-F599 HydrophobicContact CE2-CD2 4.35Å; F519-F599 AromaticContact CE2-CE2 3.79Å; F519-F599 HydrophobicContact CE2-CE2 3.79Å; F519-F599 HydrophobicContact CE2-CZ 4.32Å; F519-F599 HydrophobicContact CZ-CE2 4.49Å; F519-F603 HydrophobicContact CE1-CB 3.75Å; F519-F603 HydrophobicContact CE1-CG 4.39Å; F519-F603 HydrophobicContact CZ-CB 3.7Å; F519-F603 HydrophobicContact CZ-CD2 4.08Å; F519-F603 HydrophobicContact CZ-CG 4.02Å; F519-N604 PolarHBondContact N-OD1 2.9Å; F519-N604 PolarHBondContact O-ND2 3.11Å; F519-N604 PolarHBondContact O-OD1 2.95Å; F519-F611 HydrophobicContact CD1-CD1 4.1Å; F519-F611 HydrophobicContact CD1-CE1 4.39Å; F519-F611 HydrophobicContact CD1-CG 4.38Å; F519-F611 AromaticContact CE1-CD1 3.67Å; F519-F611 HydrophobicContact CE1-CD1 3.67Å; F519-F611 AromaticContact CE1-CE1 3.58Å; F519-F611 HydrophobicContact CE1-CE1 3.58Å; F519-F611 HydrophobicContact CE1-CG 4.34Å; F519-F611 HydrophobicContact CE1-CZ 4.19Å; F519-F611 HydrophobicContact CZ-CE1 4.46Å; F519-L622 HydrophobicContact CD1-CD2 4.41Å; F519-L622 HydrophobicContact CD2-CD2 3.94Å; F519-L622 HydrophobicContact CE1-CD2 4.21Å; F519-L622 HydrophobicContact CE2-CD2 3.69Å; F519-L622 HydrophobicContact CG-CD2 4.29Å; F519-L622 HydrophobicContact CZ-CD2 3.84Å; F519-L666 HydrophobicContact CB-CD1 4.28Å; F519-L666 HydrophobicContact CD2-CD1 3.76Å; F519-L666 HydrophobicContact CG-CD1 4.43Å; F519-K667 CarbonylContact C-O 3.59Å; F519-K667 VanDerWaalsContact CA-O 3.24Å; F519-K667 WeakPolarHBondContact CA-O 3.26Å
520	H	84.3	Confident	77.6	Confident	109 Å²	109	47.7 Å²	47.7	51%	0.505	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	134.3	175.9	-174.6	-86.1	0	0	0	108.9	K667	H520-K667 PolarHBondContact N-O 3.06Å; H520-K667 PolarHBondContact O-N 2.95Å
521	A	83.8	Confident	76.2	Confident	21 Å²	21	52.2 Å²	52.2	17%	0.174	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.5	177.5	0	0	0	0	0	109.7	L598 F599 L665 L666	A521-L598 HydrophobicContact CB-CB 4.37Å; A521-L598 HydrophobicContact CB-CD1 3.83Å; A521-F599 HydrophobicContact CB-CE2 3.94Å; A521-L665 WeakPolarHBondContact CA-O 3.41Å; A521-L666 HydrophobicContact CB-CD1 4.29Å
522	S	80.3	Confident	74.7	Confident	28 Å²	28	53.2 Å²	53.2	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.1	179.8	63.6	0	0	0	0	112.2	L665	S522-L665 PolarHBondContact N-O 3.41Å; S522-L665 PolarHBondContact O-N 2.82Å
523	Y	77.2	Confident	73	Confident	88 Å²	88	52.9 Å²	52.9	35%	0.345	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	154.6	166.8	-66.3	-67	0	0	0	111.6	L598 P662 R663 I664	Y523-L598 HydrophobicContact CD2-CG 4.49Å; Y523-L598 HydrophobicContact CE1-CD2 4.1Å; Y523-L598 HydrophobicContact CE2-CD1 4.45Å; Y523-L598 HydrophobicContact CE2-CD2 4.03Å; Y523-L598 HydrophobicContact CE2-CG 3.92Å; Y523-L598 WeakPolarHBondContact OH-CD2 3.42Å; Y523-P662 HydrophobicContact CD1-CB 4.38Å; Y523-R663 CarbonylContact C-O 3.51Å; Y523-R663 WeakPolarHBondContact CA-O 3.21Å; Y523-I664 HydrophobicContact CD1-CG1 3.92Å; Y523-I664 HydrophobicContact CE1-CD1 4.24Å; Y523-I664 HydrophobicContact CE1-CG1 3.79Å
524	I	72.1	Confident	71.6	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.8	177.6	-62.2	-171.8	0	0	0	108.7	F529 I532 R663 L665	I524-F529 HydrophobicContact CG2-CB 4.18Å; I524-I532 HydrophobicContact CD1-CD1 3.79Å; I524-I532 HydrophobicContact CG2-CD1 4.26Å; I524-R663 PolarHBondContact N-O 3.02Å; I524-R663 PolarHBondContact O-N 3.14Å; I524-L665 HydrophobicContact CD1-CB 3.44Å; I524-L665 VanDerWaalsContact CD1-CB 3.44Å; I524-L665 HydrophobicContact CD1-CD2 3.8Å; I524-L665 HydrophobicContact CD1-CG 4.2Å; I524-L665 HydrophobicContact CG1-CB 4.07Å
525	S	65.8	Low	69.9	Low	77 Å²	77	62.1 Å²	62.1	54%	0.538	32%	0.324	S	S	.	.			trans	-72.1	147.1	171.2	63.6	0	0	0	0	111.8	G527 S528 F529	S525-G527 PolarHBondContact O-N 3.39Å; S525-G527 VanDerWaalsContact O-N 3.13Å; S525-S528 WeakPolarHBondContact O-CB 3.4Å; S525-S528 PolarHBondContact O-N 3.17Å; S525-F529 PolarHBondContact O-N 3.12Å
526	S	59.2	Low	68.2	Low	41 Å²	41	61.5 Å²	61.5	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-56	-35.1	-173.4	-164	0	0	0	0	113.6
527	G	58.6	Low	66.3	Low	52 Å²	52	61.8 Å²	61.8	54%	0.536	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-40.5	174	0	0	0	0	0	113.9	S525 F529 K530	S525-G527 PolarHBondContact O-N 3.39Å; S525-G527 VanDerWaalsContact O-N 3.13Å; G527-F529 VanDerWaalsContact C-N 3.31Å; G527-F529 PolarHBondContact O-N 3.1Å; G527-K530 PolarHBondContact O-N 3.19Å
528	S	60.6	Low	64.3	Low	40 Å²	40	61.5 Å²	61.5	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-35.5	177.4	-175.8	0	0	0	0	111.8	S525 K530 N531 I532	S525-S528 WeakPolarHBondContact O-CB 3.4Å; S525-S528 PolarHBondContact O-N 3.17Å; S528-K530 PolarHBondContact O-N 2.69Å; S528-N531 PolarHBondContact O-N 3.42Å; S528-N531 VanDerWaalsContact O-N 3.13Å; S528-I532 WeakPolarHBondContact O-CG1 3.38Å; S528-I532 PolarHBondContact O-N 3.3Å
529	F	56.5	Low	62.3	Low	21 Å²	21	56.9 Å²	56.9	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-54.9	-45.6	176	176.5	-89.1	0	0	0	112.9	I524 S525 G527 N531 I532 T533 V638 V650	I524-F529 HydrophobicContact CG2-CB 4.18Å; S525-F529 PolarHBondContact O-N 3.12Å; G527-F529 VanDerWaalsContact C-N 3.31Å; G527-F529 PolarHBondContact O-N 3.1Å; F529-N531 VanDerWaalsContact C-N 3.3Å; F529-N531 PolarHBondContact O-N 3.46Å; F529-I532 PolarHBondContact O-N 3.18Å; F529-T533 HydrophobicContact CD1-CG2 4.07Å; F529-T533 HydrophobicContact CD2-CG2 4.4Å; F529-T533 HydrophobicContact CE1-CG2 3.53Å; F529-T533 HydrophobicContact CE2-CG2 3.91Å; F529-T533 HydrophobicContact CG-CG2 4.49Å; F529-T533 HydrophobicContact CZ-CG2 3.45Å; F529-T533 VanDerWaalsContact CZ-CG2 3.45Å; F529-T533 PolarHBondContact O-N 3.1Å; F529-T533 PolarHBondContact O-OG1 3.38Å; F529-V638 HydrophobicContact CE2-CG1 4.4Å; F529-V638 HydrophobicContact CZ-CG1 4.08Å; F529-V650 HydrophobicContact CD2-CG1 3.95Å; F529-V650 HydrophobicContact CE2-CB 4.17Å; F529-V650 HydrophobicContact CE2-CG1 3.78Å; F529-V650 HydrophobicContact CE2-CG2 4.16Å
530	K	59.5	Low	59.9	Low	130 Å²	130	60.3 Å²	60.3	57%	0.565	32%	0.323	S	S	*	.	H	α-helix	trans	-62.4	-36.4	179	-71.8	-172	174.8	-175.3	0	112.5	G527 S528 T533 K534	G527-K530 PolarHBondContact O-N 3.19Å; S528-K530 PolarHBondContact O-N 2.69Å; K530-T533 PolarHBondContact O-OG1 3.4Å; K530-T533 VanDerWaalsContact O-OG1 3.1Å; K530-K534 WeakPolarHBondContact O-CB 3.33Å; K530-K534 WeakPolarHBondContact O-CG 3.46Å; K530-K534 PolarHBondContact O-N 2.85Å; K530-K534 VanDerWaalsContact O-N 3.09Å
531	N	60.5	Low	57.5	Low	97 Å²	97	60 Å²	60	52%	0.519	33%	0.333	S	S	.	.	H	α-helix	trans	-72.7	-36	176.7	-72.2	-22.3	0	0	0	112.1	S528 F529 K535	S528-N531 PolarHBondContact O-N 3.42Å; S528-N531 VanDerWaalsContact O-N 3.13Å; F529-N531 VanDerWaalsContact C-N 3.3Å; F529-N531 PolarHBondContact O-N 3.46Å; N531-K535 WeakPolarHBondContact O-CB 3.49Å; N531-K535 WeakPolarHBondContact O-CG 3.41Å; N531-K535 PolarHBondContact O-N 3.03Å
532	I	58.5	Low	55.4	Low	27 Å²	27	64 Å²	64	14%	0.138	36%	0.355	C	S	.	.	H	α-helix	trans	-68	-45	174.8	-69.3	166.9	0	0	0	110.6	I524 S528 F529 K535 L536 M588	I524-I532 HydrophobicContact CD1-CD1 3.79Å; I524-I532 HydrophobicContact CG2-CD1 4.26Å; S528-I532 WeakPolarHBondContact O-CG1 3.38Å; S528-I532 PolarHBondContact O-N 3.3Å; F529-I532 PolarHBondContact O-N 3.18Å; I532-K535 PolarHBondContact O-N 3.49Å; I532-L536 HydrophobicContact CG2-CD1 3.86Å; I532-L536 HydrophobicContact CG2-CG 4.48Å; I532-L536 WeakPolarHBondContact O-CB 3.48Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.36Å; I532-M588 HydrophobicContact CG1-CE 4.28Å
533	T	54.2	Low	53.2	Low	8 Å²	8	67.4 Å²	67.4	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-64.8	-42.5	177.8	51.3	0	0	0	0	112.4	F529 K530 L536 A537 K639	F529-T533 HydrophobicContact CD1-CG2 4.07Å; F529-T533 HydrophobicContact CD2-CG2 4.4Å; F529-T533 HydrophobicContact CE1-CG2 3.53Å; F529-T533 HydrophobicContact CE2-CG2 3.91Å; F529-T533 HydrophobicContact CG-CG2 4.49Å; F529-T533 HydrophobicContact CZ-CG2 3.45Å; F529-T533 VanDerWaalsContact CZ-CG2 3.45Å; F529-T533 PolarHBondContact O-N 3.1Å; F529-T533 PolarHBondContact O-OG1 3.38Å; K530-T533 PolarHBondContact O-OG1 3.4Å; K530-T533 VanDerWaalsContact O-OG1 3.1Å; T533-L536 PolarHBondContact O-N 3.46Å; T533-A537 WeakPolarHBondContact O-CB 3.47Å; T533-A537 PolarHBondContact O-N 3.02Å; T533-K639 HydrophobicContact CG2-CD 4.11Å
534	K	57.9	Low	51.1	Low	125 Å²	125	68.5 Å²	68.5	54%	0.543	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176.1	-73.1	-174.5	176.7	-169.7	0	112.8	K530 L536 A537 N538	K530-K534 WeakPolarHBondContact O-CB 3.33Å; K530-K534 WeakPolarHBondContact O-CG 3.46Å; K530-K534 PolarHBondContact O-N 2.85Å; K530-K534 VanDerWaalsContact O-N 3.09Å; K534-L536 PolarHBondContact O-N 2.77Å; K534-A537 PolarHBondContact O-N 3.22Å; K534-N538 VanDerWaalsContact O-CG 3.31Å; K534-N538 PolarHBondContact O-N 3.46Å; K534-N538 PolarHBondContact O-OD1 2.91Å
535	K	53.7	Low	49.2	Very low	130 Å²	130	78.2 Å²	78.2	57%	0.565	42%	0.42	S	S	*	.	H	α-helix	trans	-68.7	-32.4	175.8	-74.2	-175.9	-178.9	-176.1	0	113.2	N531 I532 S539 M588	N531-K535 WeakPolarHBondContact O-CB 3.49Å; N531-K535 WeakPolarHBondContact O-CG 3.41Å; N531-K535 PolarHBondContact O-N 3.03Å; I532-K535 PolarHBondContact O-N 3.49Å; K535-S539 WeakPolarHBondContact O-CB 3.35Å; K535-S539 PolarHBondContact O-N 3.37Å; K535-S539 VanDerWaalsContact O-N 3.12Å; K535-M588 HydrophobicContact CD-CE 4.06Å; K535-M588 HydrophobicContact CD-SD 3.54Å; K535-M588 VanDerWaalsContact CD-SD 3.54Å; K535-M588 PolarHBondContact NZ-SD 2.79Å
536	L	49.1	Very low	47.5	Very low	36 Å²	36	80.9 Å²	80.9	19%	0.188	43%	0.433	C	S	.	.	H	α-helix	trans	-67.7	-44.7	170.3	-73	169.2	0	0	0	111.5	I532 T533 K534 N538 S539 F540	I532-L536 HydrophobicContact CG2-CD1 3.86Å; I532-L536 HydrophobicContact CG2-CG 4.48Å; I532-L536 WeakPolarHBondContact O-CB 3.48Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.4Å; I532-L536 PolarHBondContact O-N 3.36Å; T533-L536 PolarHBondContact O-N 3.46Å; K534-L536 PolarHBondContact O-N 2.77Å; L536-N538 PolarHBondContact O-N 2.97Å; L536-S539 PolarHBondContact O-N 2.92Å; L536-S539 VanDerWaalsContact O-N 3.16Å; L536-S539 PolarHBondContact O-OG 3.24Å; L536-F540 HydrophobicContact CB-CE2 4.11Å; L536-F540 WeakPolarHBondContact O-CD2 3.17Å; L536-F540 WeakPolarHBondContact O-CE2 3.17Å; L536-F540 WeakPolarHBondContact O-CG 3.43Å; L536-F540 PolarHBondContact O-N 3.28Å; L536-F540 VanDerWaalsContact O-N 3.11Å
537	A	45.3	Very low	46.3	Very low	17 Å²	17	83.3 Å²	83.3	14%	0.14	45%	0.45	C	S	.	.	H	α-helix	trans	-54.9	-51.5	174.5	0	0	0	0	0	111.4	C12 T533 K534 S539 F540 S541	C12-A537 HydrophobicContact CB-CB 3.8Å; T533-A537 WeakPolarHBondContact O-CB 3.47Å; T533-A537 PolarHBondContact O-N 3.02Å; K534-A537 PolarHBondContact O-N 3.22Å; A537-S539 VanDerWaalsContact C-N 3.26Å; A537-S539 PolarHBondContact O-N 3.25Å; A537-F540 WeakPolarHBondContact O-CB 3.4Å; A537-F540 PolarHBondContact O-N 2.67Å; A537-S541 PolarHBondContact O-N 3.35Å; A537-S541 PolarHBondContact O-OG 3.41Å
538	N	43.7	Very low	45	Very low	109 Å²	109	85.4 Å²	85.4	58%	0.583	46%	0.457	S	S	*	.	H	α-helix	trans	-63.8	-28.4	179.5	-65.9	10.2	0	0	0	113	K534 L536 T542	K534-N538 VanDerWaalsContact O-CG 3.31Å; K534-N538 PolarHBondContact O-N 3.46Å; K534-N538 PolarHBondContact O-OD1 2.91Å; L536-N538 PolarHBondContact O-N 2.97Å; N538-T542 VanDerWaalsContact O-CG2 3.32Å; N538-T542 WeakPolarHBondContact O-CG2 3.39Å; N538-T542 PolarHBondContact O-OG1 2.81Å
539	S	40	Very low	43.7	Very low	14 Å²	14	89.5 Å²	89.5	10%	0.098	48%	0.48	C	S	.	.	H	α-helix	trans	-78.7	-19.2	175.3	76.8	0	0	0	0	113.8	K535 L536 A537	K535-S539 WeakPolarHBondContact O-CB 3.35Å; K535-S539 PolarHBondContact O-N 3.37Å; K535-S539 VanDerWaalsContact O-N 3.12Å; L536-S539 PolarHBondContact O-N 2.92Å; L536-S539 VanDerWaalsContact O-N 3.16Å; L536-S539 PolarHBondContact O-OG 3.24Å; A537-S539 VanDerWaalsContact C-N 3.26Å; A537-S539 PolarHBondContact O-N 3.25Å
540	F	36.3	Very low	42.5	Very low	84 Å²	84	95.9 Å²	95.9	37%	0.368	51%	0.51	S	S	.	.	H	α-helix	trans	-76.9	-32.9	170.7	-63.2	-51	0	0	0	112.6	L536 A537 F642	L536-F540 HydrophobicContact CB-CE2 4.11Å; L536-F540 WeakPolarHBondContact O-CD2 3.17Å; L536-F540 WeakPolarHBondContact O-CE2 3.17Å; L536-F540 WeakPolarHBondContact O-CG 3.43Å; L536-F540 PolarHBondContact O-N 3.28Å; L536-F540 VanDerWaalsContact O-N 3.11Å; A537-F540 WeakPolarHBondContact O-CB 3.4Å; A537-F540 PolarHBondContact O-N 2.67Å; F540-F642 WeakPolarHBondContact CE1-O 3.28Å
541	S	35.6	Very low	41.3	Very low	102 Å²	102	95 Å²	95	71%	0.713	52%	0.52	S	S	*	.	S	Bend	trans	-83.5	-11.4	-174.4	-50.7	0	0	0	0	115.7	A537	A537-S541 PolarHBondContact O-N 3.35Å; A537-S541 PolarHBondContact O-OG 3.41Å
542	T	39.3	Very low	39.8	Very low	106 Å²	106	95.4 Å²	95.4	65%	0.65	52%	0.515	S	S	*	.	S	Bend	trans	-119.2	13.6	-159.9	51.5	0	0	0	0	116.1	N538	N538-T542 VanDerWaalsContact O-CG2 3.32Å; N538-T542 WeakPolarHBondContact O-CG2 3.39Å; N538-T542 PolarHBondContact O-OG1 2.81Å
543	R	34.1	Very low	38.4	Very low	98 Å²	98	101.1 Å²	101.1	37%	0.37	54%	0.541	S	S	.	.			trans	-129.9	116.8	-170	-105	170.9	174.6	-87.4	-15.4	116.9
544	S	33.3	Very low	37.3	Very low	111 Å²	111	108.2 Å²	108.2	78%	0.776	58%	0.578	S	S	*	*			trans	-78.4	165	170.9	49.1	0	0	0	0	113.3	T546	S544-T546 PolarHBondContact O-N 2.67Å
545	R	30.9	Very low	35.9	Very low	218 Å²	218	110 Å²	110	82%	0.823	59%	0.586	S	S	*	*	S	Bend	trans	-93.7	82.2	-172	-70.9	170.5	155.6	174.3	-7.7	113.9
546	T	30.9	Very low	34.8	Very low	132 Å²	132	110.6 Å²	110.6	81%	0.81	59%	0.594	S	S	*	*			trans	-163.5	119.4	160.9	38	0	0	0	0	112.8	S544	S544-T546 PolarHBondContact O-N 2.67Å
547	S	33.6	Very low	33.8	Very low	93 Å²	93	115.9 Å²	115.9	65%	0.65	62%	0.623	S	S	*	*			trans	-173.7	134.5	153.4	56.8	0	0	0	0	109.3
548	S	31.9	Very low	33	Very low	96 Å²	96	120.8 Å²	120.8	67%	0.671	65%	0.651	S	S	*	*			trans	-76.8	-176	-176.4	62.3	0	0	0	0	113.8	E550	S548-E550 WeakPolarHBondContact CB-OE2 3.27Å; S548-E550 PolarHBondContact OG-OE2 2.74Å
549	V	32.5	Very low	32.1	Very low	126 Å²	126	121.6 Å²	121.6	76%	0.764	67%	0.665	S	S	*	*	S	Bend	trans	-103.2	-22.4	-161.3	175.6	0	0	0	0	113.2	S551	V549-S551 PolarHBondContact O-N 2.85Å
550	E	32.3	Very low	31.5	Very low	155 Å²	155	125.2 Å²	125.2	72%	0.724	69%	0.691	S	S	*	*	S	Bend	trans	-69.6	-22	-162.8	-67.3	97.5	161.6	0	0	116.2	S548 Y552	S548-E550 WeakPolarHBondContact CB-OE2 3.27Å; S548-E550 PolarHBondContact OG-OE2 2.74Å; E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.88Å; E550-Y552 VanDerWaalsContact O-N 3.08Å
551	S	33.2	Very low	31.1	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	33.1	-167.1	70	0	0	0	0	115.4	V549	V549-S551 PolarHBondContact O-N 2.85Å
552	Y	28.7	Very low	30.7	Very low	107 Å²	107	127.9 Å²	127.9	42%	0.42	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.7	-9.8	-168.3	-117.7	-83.5	0	0	0	116.8	E550 K582	E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.88Å; E550-Y552 VanDerWaalsContact O-N 3.08Å; Y552-K582 VanDerWaalsContact CE2-NZ 3.34Å; Y552-K582 WeakPolarHBondContact OH-CE 3.44Å; Y552-K582 PolarHBondContact OH-NZ 3.28Å
553	H	29.5	Very low	30.1	Very low	147 Å²	147	128.3 Å²	128.3	68%	0.681	72%	0.723	S	S	*	*	S	Bend	trans	-85.4	-25.2	-174	-91.3	-103.9	0	0	0	115	F555	H553-F555 PolarHBondContact O-N 3.46Å
554	N	31.3	Very low	29.7	Very low	156 Å²	156	131 Å²	131	83%	0.834	75%	0.745	S	S	*	*	S	Bend	trans	-99.3	44.8	-169.6	-58.5	8.5	0	0	0	113.1
555	F	28.1	Very low	29.5	Very low	162 Å²	162	134.1 Å²	134.1	71%	0.711	75%	0.747	S	S	*	*	S	Bend	trans	-150	28.9	-171.3	-130.8	-84.2	0	0	0	116.1	H553	H553-F555 PolarHBondContact O-N 3.46Å
556	I	31.3	Very low	29.4	Very low	143 Å²	143	131 Å²	131	73%	0.733	75%	0.746	S	S	*	*	S	Bend	trans	-114.5	-38.3	174	-69	179.3	0	0	0	111	T558	I556-T558 PolarHBondContact O-N 2.97Å; I556-T558 VanDerWaalsContact O-N 3.15Å
557	D	28	Very low	29.1	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	74%	0.744	S	S	*	*	S	Bend	trans	-87.6	80.5	-179.3	-50.7	-60.8	0	0	0	111.9
558	T	28.5	Very low	28.7	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	75%	0.75	S	S	*	*			trans	-171.7	103.3	157.2	8.4	0	0	0	0	110	I556	I556-T558 PolarHBondContact O-N 2.97Å; I556-T558 VanDerWaalsContact O-N 3.15Å
559	S	25.2	Very low	28.6	Very low	127 Å²	127	135.3 Å²	135.3	89%	0.888	76%	0.758	S	S	*	*			trans	-134.6	58.7	174.7	62.1	0	0	0	0	111
560	S	26.6	Very low	28.3	Very low	90 Å²	90	136.7 Å²	136.7	63%	0.629	76%	0.761	S	S	*	*			trans	-152.3	154.2	176.5	58.3	0	0	0	0	111.5
561	I	29.4	Very low	27.9	Very low	171 Å²	171	140.1 Å²	140.1	88%	0.877	77%	0.767	S	S	*	*			trans	68.4	135.3	164.8	-57.2	159.2	0	0	0	117.2
562	G	26.3	Very low	27.6	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	77%	0.765	S	S	*	*			trans	127.3	71.9	134.8	0	0	0	0	0	118.6
563	S	27.2	Very low	27.6	Very low	116 Å²	116	143.2 Å²	143.2	81%	0.811	78%	0.781	S	S	*	*			trans	-17.1	141.5	157.1	-52	0	0	0	0	120
564	N	25.7	Very low	27.6	Very low	155 Å²	155	144.8 Å²	144.8	83%	0.829	79%	0.794	S	S	*	*			trans	-9.3	131.1	150.9	-51.4	-24.8	0	0	0	117.8
565	Q	29.3	Very low	27.6	Very low	176 Å²	176	142.1 Å²	142.1	82%	0.822	79%	0.788	S	S	*	*				-164.5	151.8	126.2	-114.3	174.9	60.3	0	0	115.5
566	L	27.8	Very low	27.9	Very low	153 Å²	153	141.2 Å²	141.2	80%	0.801	79%	0.79	S	S	*	*			trans	74.2	146.6	155.1	-67	165.4	0	0	0	121.6
567	L	25.2	Very low	28.3	Very low	147 Å²	147	137 Å²	137	77%	0.77	77%	0.773	S	S	*	*			trans	-104.4	177.9	-168.2	-83.6	66.3	0	0	0	111.5
568	N	25.4	Very low	28.8	Very low	143 Å²	143	133 Å²	133	77%	0.765	75%	0.751	S	S	*	*			trans	60.8	110.3	151.1	-66.5	-11.1	0	0	0	118.5
569	S	28.9	Very low	29.6	Very low	121 Å²	121	131 Å²	131	85%	0.846	74%	0.742	S	S	*	*				-161.6	151.2	97.5	-83.3	0	0	0	0	112.7
570	N	25.7	Very low	30.3	Very low	154 Å²	154	125.7 Å²	125.7	82%	0.824	71%	0.707	S	S	*	*			trans	-82.2	131.6	174.8	-68.4	-57.4	0	0	0	110.7
571	R	26	Very low	31	Very low	227 Å²	227	123.6 Å²	123.6	86%	0.857	69%	0.689	S	S	*	*				162.5	140.7	123	-89.8	166	176.9	177.3	-0.6	113.9
572	T	26.2	Very low	31.6	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	67%	0.665	S	S	*	*			trans	68.5	155.1	149.8	53.1	0	0	0	0	121.2
573	H	29.1	Very low	32.6	Very low	165 Å²	165	118.7 Å²	118.7	76%	0.764	65%	0.647	S	S	*	*			trans	71.3	97.4	172.2	-57.9	-70.2	0	0	0	119.2	S575	H573-S575 PolarHBondContact O-N 3.17Å; H573-S575 VanDerWaalsContact O-N 3.08Å
574	N	28.7	Very low	33.3	Very low	180 Å²	180	115.5 Å²	115.5	96%	0.963	63%	0.625	S	S	*	*			trans	-73.1	87	169.9	-77.2	-37.8	0	0	0	112.3
575	S	31	Very low	34	Very low	101 Å²	101	110.6 Å²	110.6	71%	0.706	60%	0.599	S	S	*	*			trans	-141.3	78.4	171.1	58.9	0	0	0	0	112.7	H573 S577	H573-S575 PolarHBondContact O-N 3.17Å; H573-S575 VanDerWaalsContact O-N 3.08Å; S575-S577 PolarHBondContact O-N 2.7Å
576	L	34.2	Very low	34.7	Very low	143 Å²	143	110.9 Å²	110.9	75%	0.749	59%	0.592	S	S	*	*			trans	-69.7	102.5	178.6	-76.4	169.1	0	0	0	112
577	S	41.1	Very low	35.4	Very low	54 Å²	54	112.2 Å²	112.2	38%	0.378	59%	0.586	S	S	.	*			trans	-61.1	169.9	179.4	67.3	0	0	0	0	113.9	S575 S579 G580 L581	S575-S577 PolarHBondContact O-N 2.7Å; S577-S579 PolarHBondContact O-N 2.83Å; S577-S579 PolarHBondContact OG-OG 2.88Å; S577-G580 PolarHBondContact O-N 3.44Å; S577-G580 PolarHBondContact OG-N 2.93Å; S577-G580 VanDerWaalsContact OG-N 3.16Å; S577-L581 PolarHBondContact O-N 3.29Å
578	I	37.5	Very low	35.8	Very low	64 Å²	64	108 Å²	108	33%	0.328	56%	0.564	S	S	.	*	H	α-helix	trans	-55.9	-40.5	173.4	-70.8	79.3	0	0	0	110.5	K582	I578-K582 HydrophobicContact CG2-CD 3.93Å; I578-K582 HydrophobicContact CG2-CG 4.38Å; I578-K582 WeakPolarHBondContact O-CG 3.39Å; I578-K582 PolarHBondContact O-N 2.99Å
579	S	45.7	Very low	36.4	Very low	77 Å²	77	104.4 Å²	104.4	54%	0.538	54%	0.541	S	S	.	.	H	α-helix	trans	-69.6	-33.9	179.3	46.6	0	0	0	0	112.9	S577 K582 S583	S577-S579 PolarHBondContact O-N 2.83Å; S577-S579 PolarHBondContact OG-OG 2.88Å; S579-K582 PolarHBondContact O-N 3.29Å; S579-S583 VanDerWaalsContact O-CB 3.31Å; S579-S583 WeakPolarHBondContact O-CB 3.24Å; S579-S583 PolarHBondContact O-N 2.97Å; S579-S583 PolarHBondContact O-OG 3.08Å
580	G	40	Very low	36.7	Very low	15 Å²	15	103 Å²	103	16%	0.155	53%	0.531	C	S	.	.	H	α-helix	trans	-58.3	-49.2	172.3	0	0	0	0	0	112.3	S577 S583 S584	S577-G580 PolarHBondContact O-N 3.44Å; S577-G580 PolarHBondContact OG-N 2.93Å; S577-G580 VanDerWaalsContact OG-N 3.16Å; G580-S583 PolarHBondContact O-N 3.25Å; G580-S583 PolarHBondContact O-OG 3.13Å; G580-S583 VanDerWaalsContact O-OG 3.04Å; G580-S584 WeakPolarHBondContact O-CB 3.39Å; G580-S584 PolarHBondContact O-N 3.39Å; G580-S584 PolarHBondContact O-OG 3.31Å; G580-S584 VanDerWaalsContact O-OG 3.1Å
581	L	40.7	Very low	37.3	Very low	47 Å²	47	100.5 Å²	100.5	25%	0.246	52%	0.522	C	S	.	.	H	α-helix	trans	-65.2	-44.6	175.8	-84	162.3	0	0	0	112.6	S577 S583 S584 L585	S577-L581 PolarHBondContact O-N 3.29Å; L581-S583 PolarHBondContact O-N 3.39Å; L581-S584 PolarHBondContact O-N 3.03Å; L581-L585 WeakPolarHBondContact O-CB 3.14Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.28Å; L581-L585 PolarHBondContact O-N 2.93Å
582	K	41.9	Very low	37.6	Very low	88 Å²	88	98.8 Å²	98.8	38%	0.383	52%	0.52	S	S	.	.	H	α-helix	trans	-59.3	-43.7	176.6	-74.9	175.1	177	178.6	0	112.4	Y552 I578 S579 L585 R586	Y552-K582 VanDerWaalsContact CE2-NZ 3.34Å; Y552-K582 WeakPolarHBondContact OH-CE 3.44Å; Y552-K582 PolarHBondContact OH-NZ 3.28Å; I578-K582 HydrophobicContact CG2-CD 3.93Å; I578-K582 HydrophobicContact CG2-CG 4.38Å; I578-K582 WeakPolarHBondContact O-CG 3.39Å; I578-K582 PolarHBondContact O-N 2.99Å; S579-K582 PolarHBondContact O-N 3.29Å; K582-L585 PolarHBondContact O-N 3.13Å; K582-R586 PolarHBondContact O-N 3.23Å
583	S	47.2	Very low	38.2	Very low	49 Å²	49	98.5 Å²	98.5	34%	0.343	52%	0.523	S	S	.	.	H	α-helix	trans	-74.2	-32.8	-179.6	63.6	0	0	0	0	112.9	S579 G580 L581 R587	S579-S583 VanDerWaalsContact O-CB 3.31Å; S579-S583 WeakPolarHBondContact O-CB 3.24Å; S579-S583 PolarHBondContact O-N 2.97Å; S579-S583 PolarHBondContact O-OG 3.08Å; G580-S583 PolarHBondContact O-N 3.25Å; G580-S583 PolarHBondContact O-OG 3.13Å; G580-S583 VanDerWaalsContact O-OG 3.04Å; L581-S583 PolarHBondContact O-N 3.39Å; S583-R587 WeakPolarHBondContact O-CB 3.4Å; S583-R587 WeakPolarHBondContact O-CG 3.39Å; S583-R587 PolarHBondContact O-N 3.15Å
584	S	41.9	Very low	38.5	Very low	49 Å²	49	99.9 Å²	99.9	34%	0.343	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-39.2	169.1	-67.8	0	0	0	0	112.1	G580 L581 R587 M588	G580-S584 WeakPolarHBondContact O-CB 3.39Å; G580-S584 PolarHBondContact O-N 3.39Å; G580-S584 PolarHBondContact O-OG 3.31Å; G580-S584 VanDerWaalsContact O-OG 3.1Å; L581-S584 PolarHBondContact O-N 3.03Å; S584-R587 PolarHBondContact O-N 2.55Å; S584-M588 WeakPolarHBondContact O-CB 3.36Å; S584-M588 WeakPolarHBondContact O-CG 3.3Å; S584-M588 PolarHBondContact O-N 2.87Å
585	L	41	Very low	39.3	Very low	53 Å²	53	96.4 Å²	96.4	28%	0.277	51%	0.512	S	S	.	.	H	α-helix	trans	-67.5	-45.2	173.6	-69.5	167.8	0	0	0	111.4	L581 K582 R587 M588 F589	L581-L585 WeakPolarHBondContact O-CB 3.14Å; L581-L585 VanDerWaalsContact O-CG 3.3Å; L581-L585 WeakPolarHBondContact O-CG 3.28Å; L581-L585 PolarHBondContact O-N 2.93Å; K582-L585 PolarHBondContact O-N 3.13Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.18Å; L585-M588 PolarHBondContact O-N 3.14Å; L585-F589 HydrophobicContact CB-CD2 4.31Å; L585-F589 HydrophobicContact CB-CE2 4.17Å; L585-F589 HydrophobicContact CD2-CE2 3.9Å; L585-F589 HydrophobicContact CD2-CZ 4.46Å; L585-F589 WeakPolarHBondContact O-CD2 3.39Å; L585-F589 PolarHBondContact O-N 2.99Å
586	R	43.8	Very low	39.9	Very low	181 Å²	181	100 Å²	100	68%	0.683	52%	0.517	S	S	*	.	H	α-helix	trans	-53.5	-48.2	171.5	-104.9	-168.5	179.6	-173.6	1.9	111.2	K582 F589 S590	K582-R586 PolarHBondContact O-N 3.23Å; R586-F589 PolarHBondContact O-N 3.14Å; R586-S590 VanDerWaalsContact O-CB 3.29Å; R586-S590 WeakPolarHBondContact O-CB 3.46Å; R586-S590 PolarHBondContact O-N 2.76Å
587	R	42.4	Very low	40.9	Very low	181 Å²	181	98 Å²	98	68%	0.683	51%	0.512	S	S	*	.	H	α-helix	trans	-65.9	-36.5	178.7	-77.4	-174.2	-73.6	175	-5.3	113.7	S583 S584 L585 S590	S583-R587 WeakPolarHBondContact O-CB 3.4Å; S583-R587 WeakPolarHBondContact O-CG 3.39Å; S583-R587 PolarHBondContact O-N 3.15Å; S584-R587 PolarHBondContact O-N 2.55Å; L585-R587 VanDerWaalsContact C-N 3.33Å; L585-R587 PolarHBondContact O-N 3.18Å; R587-S590 PolarHBondContact O-N 3.25Å
588	M	33.9	Very low	41.8	Very low	60 Å²	60	97.9 Å²	97.9	30%	0.296	51%	0.507	S	S	.	.	H	α-helix	trans	-77.3	-22.6	177.6	-73.2	-171.6	69.6	0	0	114.3	I532 K535 S584 L585	I532-M588 HydrophobicContact CG1-CE 4.28Å; K535-M588 HydrophobicContact CD-CE 4.06Å; K535-M588 HydrophobicContact CD-SD 3.54Å; K535-M588 VanDerWaalsContact CD-SD 3.54Å; K535-M588 PolarHBondContact NZ-SD 2.79Å; S584-M588 WeakPolarHBondContact O-CB 3.36Å; S584-M588 WeakPolarHBondContact O-CG 3.3Å; S584-M588 PolarHBondContact O-N 2.87Å; L585-M588 PolarHBondContact O-N 3.14Å
589	F	38.2	Very low	42.8	Very low	66 Å²	66	97 Å²	97	29%	0.289	50%	0.502	S	S	.	.	H	α-helix	trans	-93.2	-8.3	171.6	-62.8	-55.5	0	0	0	113.4	L585 R586 V591 L665	L585-F589 HydrophobicContact CB-CD2 4.31Å; L585-F589 HydrophobicContact CB-CE2 4.17Å; L585-F589 HydrophobicContact CD2-CE2 3.9Å; L585-F589 HydrophobicContact CD2-CZ 4.46Å; L585-F589 WeakPolarHBondContact O-CD2 3.39Å; L585-F589 PolarHBondContact O-N 2.99Å; R586-F589 PolarHBondContact O-N 3.14Å; F589-V591 PolarHBondContact O-N 2.59Å; F589-L665 HydrophobicContact CD1-CD2 4.49Å; F589-L665 HydrophobicContact CE1-CD2 3.64Å; F589-L665 HydrophobicContact CZ-CD2 4.18Å
590	S	35.4	Very low	42.6	Very low	91 Å²	91	98.9 Å²	98.9	64%	0.636	51%	0.511	S	S	*	.			trans	-76.5	52.7	169	-175.8	0	0	0	0	111.9	R586 R587 K592	R586-S590 VanDerWaalsContact O-CB 3.29Å; R586-S590 WeakPolarHBondContact O-CB 3.46Å; R586-S590 PolarHBondContact O-N 2.76Å; R587-S590 PolarHBondContact O-N 3.25Å; S590-K592 PolarHBondContact O-N 2.94Å
591	V	38.3	Very low	43.3	Very low	102 Å²	102	103.1 Å²	103.1	62%	0.618	53%	0.526	S	S	*	.			trans	-66	127.7	164.1	179.9	0	0	0	0	106.7	F589 S593	F589-V591 PolarHBondContact O-N 2.59Å; V591-S593 PolarHBondContact O-N 3.08Å; V591-S593 VanDerWaalsContact O-N 3.13Å
592	K	32	Very low	44.2	Very low	191 Å²	191	103.4 Å²	103.4	83%	0.83	54%	0.535	S	S	*	.			trans	-61.4	117.2	175.2	-71.2	-175.7	177.1	-177.7	0	108.5	S590 Q594	S590-K592 PolarHBondContact O-N 2.94Å; K592-Q594 PolarHBondContact O-N 2.86Å
593	S	39.2	Very low	45	Very low	111 Å²	111	99.8 Å²	99.8	78%	0.776	52%	0.519	S	S	*	.			trans	-77.4	86	-173.6	53.8	0	0	0	0	111.8	V591	V591-S593 PolarHBondContact O-N 3.08Å; V591-S593 VanDerWaalsContact O-N 3.13Å
594	Q	35.2	Very low	45.7	Very low	194 Å²	194	99.3 Å²	99.3	91%	0.907	51%	0.513	S	S	*	.			trans	-94	-14.2	157.7	-77.6	179.7	-65.4	0	0	112.3	K592	K592-Q594 PolarHBondContact O-N 2.86Å
595	D	44.9	Very low	46.4	Very low	108 Å²	108	102.6 Å²	102.6	58%	0.578	53%	0.527	S	S	*	.	S	Bend	trans	-73	139.5	171.8	-63.2	-36.7	0	0	0	111.3
596	Q	44.4	Very low	47.1	Very low	175 Å²	175	106.1 Å²	106.1	82%	0.818	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.4	142.7	171.1	-74.8	-176.7	-18.7	0	0	111.5
597	P	54.6	Low	47.5	Very low	101 Å²	101	102.2 Å²	102.2	66%	0.656	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-66.4	141.3	178.6	29.5	-35.6	0	0	0	111.2	F599	P597-F599 WeakPolarHBondContact CB-O 3.39Å; P597-F599 PolarHBondContact O-N 2.98Å
598	L	59.1	Low	47.9	Very low	52 Å²	52	100.8 Å²	100.8	27%	0.272	54%	0.541	S	S	.	.	S	Bend	trans	-62.7	-10.4	179	-93.2	165.4	0	0	0	114.6	A521 Y523 I664	A521-L598 HydrophobicContact CB-CB 4.37Å; A521-L598 HydrophobicContact CB-CD1 3.83Å; Y523-L598 HydrophobicContact CD2-CG 4.49Å; Y523-L598 HydrophobicContact CE1-CD2 4.1Å; Y523-L598 HydrophobicContact CE2-CD1 4.45Å; Y523-L598 HydrophobicContact CE2-CD2 4.03Å; Y523-L598 HydrophobicContact CE2-CG 3.92Å; Y523-L598 WeakPolarHBondContact OH-CD2 3.42Å; L598-I664 HydrophobicContact CD1-CG2 3.94Å; L598-I664 HydrophobicContact CD2-CD1 4.4Å
599	F	58.3	Low	48.8	Very low	47 Å²	47	102.6 Å²	102.6	21%	0.206	55%	0.548	C	S	.	.	S	Bend	trans	-138.4	142.1	174.2	-60.2	-78.5	0	0	0	108.4	F519 A521 P597 F601 F603	F519-F599 HydrophobicContact CE2-CD2 4.35Å; F519-F599 AromaticContact CE2-CE2 3.79Å; F519-F599 HydrophobicContact CE2-CE2 3.79Å; F519-F599 HydrophobicContact CE2-CZ 4.32Å; F519-F599 HydrophobicContact CZ-CE2 4.49Å; A521-F599 HydrophobicContact CB-CE2 3.94Å; P597-F599 WeakPolarHBondContact CB-O 3.39Å; P597-F599 PolarHBondContact O-N 2.98Å; F599-F601 PolarHBondContact O-N 2.88Å; F599-F601 VanDerWaalsContact O-N 3.14Å; F599-F603 HydrophobicContact CB-CD2 4.12Å; F599-F603 HydrophobicContact CB-CE2 3.92Å; F599-F603 HydrophobicContact CD1-CD2 4.29Å; F599-F603 AromaticContact CD1-CE2 3.65Å; F599-F603 HydrophobicContact CD1-CE2 3.65Å; F599-F603 HydrophobicContact CE1-CE2 4.34Å; F599-F603 HydrophobicContact CG-CD2 4.07Å; F599-F603 AromaticContact CG-CE2 3.83Å; F599-F603 HydrophobicContact CG-CE2 3.83Å
600	P	41.5	Very low	50.3	Low	115 Å²	115	103 Å²	103	75%	0.747	55%	0.553	S	S	*	*	S	Bend	trans	-69.6	-8.4	-177	26.1	-33	0	0	0	114.4
601	F	54.8	Low	52.5	Low	104 Å²	104	99 Å²	99	46%	0.456	52%	0.524	S	S	.	.	S	Bend	trans	-147.8	156.5	175.7	54.3	-91.8	0	0	0	111.7	F599 F603	F599-F601 PolarHBondContact O-N 2.88Å; F599-F601 VanDerWaalsContact O-N 3.14Å; F601-F603 HydrophobicContact CD2-CD2 4.23Å; F601-F603 HydrophobicContact CD2-CE2 4.24Å; F601-F603 HydrophobicContact CD2-CG 4.37Å; F601-F603 HydrophobicContact CD2-CZ 4.39Å; F601-F603 AromaticContact CE2-CD1 3.77Å; F601-F603 HydrophobicContact CE2-CD1 3.77Å; F601-F603 AromaticContact CE2-CD2 3.97Å; F601-F603 HydrophobicContact CE2-CD2 3.97Å; F601-F603 AromaticContact CE2-CE1 3.46Å; F601-F603 HydrophobicContact CE2-CE1 3.46Å; F601-F603 VanDerWaalsContact CE2-CE1 3.46Å; F601-F603 AromaticContact CE2-CE2 3.67Å; F601-F603 HydrophobicContact CE2-CE2 3.67Å; F601-F603 HydrophobicContact CE2-CG 4.02Å; F601-F603 AromaticContact CE2-CZ 3.4Å; F601-F603 HydrophobicContact CE2-CZ 3.4Å; F601-F603 VanDerWaalsContact CE2-CZ 3.4Å; F601-F603 AromaticContact CZ-CE1 3.85Å; F601-F603 HydrophobicContact CZ-CE1 3.85Å; F601-F603 AromaticContact CZ-CE2 3.94Å; F601-F603 HydrophobicContact CZ-CE2 3.94Å; F601-F603 AromaticContact CZ-CZ 3.47Å; F601-F603 HydrophobicContact CZ-CZ 3.47Å; F601-F603 VanDerWaalsContact CZ-CZ 3.47Å; F601-F603 PolarHBondContact O-N 2.88Å
602	A	60.1	Low	54.8	Low	53 Å²	53	95 Å²	95	44%	0.438	50%	0.5	S	S	.	.			trans	-84.6	87.9	-176.5	0	0	0	0	0	112	N604 D605	A602-N604 PolarHBondContact O-N 3.28Å; A602-D605 VanDerWaalsContact CB-OD2 3.29Å; A602-D605 WeakPolarHBondContact CB-OD2 3.41Å; A602-D605 WeakPolarHBondContact O-CB 3.27Å; A602-D605 PolarHBondContact O-N 3.09Å
603	F	58.3	Low	57.6	Low	13 Å²	13	86.2 Å²	86.2	6%	0.057	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-45.9	-29.5	177.5	-80.3	-84.5	0	0	0	116	F519 F599 F601 D605 Y606 F611 W624 L629	F519-F603 HydrophobicContact CE1-CB 3.75Å; F519-F603 HydrophobicContact CE1-CG 4.39Å; F519-F603 HydrophobicContact CZ-CB 3.7Å; F519-F603 HydrophobicContact CZ-CD2 4.08Å; F519-F603 HydrophobicContact CZ-CG 4.02Å; F599-F603 HydrophobicContact CB-CD2 4.12Å; F599-F603 HydrophobicContact CB-CE2 3.92Å; F599-F603 HydrophobicContact CD1-CD2 4.29Å; F599-F603 AromaticContact CD1-CE2 3.65Å; F599-F603 HydrophobicContact CD1-CE2 3.65Å; F599-F603 HydrophobicContact CE1-CE2 4.34Å; F599-F603 HydrophobicContact CG-CD2 4.07Å; F599-F603 AromaticContact CG-CE2 3.83Å; F599-F603 HydrophobicContact CG-CE2 3.83Å; F601-F603 HydrophobicContact CD2-CD2 4.23Å; F601-F603 HydrophobicContact CD2-CE2 4.24Å; F601-F603 HydrophobicContact CD2-CG 4.37Å; F601-F603 HydrophobicContact CD2-CZ 4.39Å; F601-F603 AromaticContact CE2-CD1 3.77Å; F601-F603 HydrophobicContact CE2-CD1 3.77Å; F601-F603 AromaticContact CE2-CD2 3.97Å; F601-F603 HydrophobicContact CE2-CD2 3.97Å; F601-F603 AromaticContact CE2-CE1 3.46Å; F601-F603 HydrophobicContact CE2-CE1 3.46Å; F601-F603 VanDerWaalsContact CE2-CE1 3.46Å; F601-F603 AromaticContact CE2-CE2 3.67Å; F601-F603 HydrophobicContact CE2-CE2 3.67Å; F601-F603 HydrophobicContact CE2-CG 4.02Å; F601-F603 AromaticContact CE2-CZ 3.4Å; F601-F603 HydrophobicContact CE2-CZ 3.4Å; F601-F603 VanDerWaalsContact CE2-CZ 3.4Å; F601-F603 AromaticContact CZ-CE1 3.85Å; F601-F603 HydrophobicContact CZ-CE1 3.85Å; F601-F603 AromaticContact CZ-CE2 3.94Å; F601-F603 HydrophobicContact CZ-CE2 3.94Å; F601-F603 AromaticContact CZ-CZ 3.47Å; F601-F603 HydrophobicContact CZ-CZ 3.47Å; F601-F603 VanDerWaalsContact CZ-CZ 3.47Å; F601-F603 PolarHBondContact O-N 2.88Å; F603-D605 PolarHBondContact O-N 2.74Å; F603-Y606 PolarHBondContact O-N 3.16Å; F603-F611 HydrophobicContact CB-CE1 3.9Å; F603-F611 HydrophobicContact CB-CZ 3.75Å; F603-F611 AromaticContact CD1-CE1 3.85Å; F603-F611 HydrophobicContact CD1-CE1 3.85Å; F603-F611 HydrophobicContact CD1-CZ 4.1Å; F603-F611 HydrophobicContact CG-CE1 4.21Å; F603-F611 HydrophobicContact CG-CZ 4.39Å; F603-F611 VanDerWaalsContact O-CZ 3.3Å; F603-F611 WeakPolarHBondContact O-CZ 3.4Å; F603-W624 HydrophobicContact CD1-CD2 4.42Å; F603-W624 HydrophobicContact CD1-CG 4.41Å; F603-W624 HydrophobicContact CE1-CD2 4.2Å; F603-W624 HydrophobicContact CE1-CE3 4.31Å; F603-W624 HydrophobicContact CE1-CG 4.44Å; F603-L629 HydrophobicContact CD1-CD1 3.95Å; F603-L629 HydrophobicContact CE1-CD1 3.65Å; F603-L629 HydrophobicContact CE1-CD2 3.74Å; F603-L629 HydrophobicContact CE1-CG 4.37Å; F603-L629 HydrophobicContact CE2-CD1 4.25Å; F603-L629 HydrophobicContact CG-CD1 4.38Å; F603-L629 HydrophobicContact CZ-CD1 3.82Å; F603-L629 HydrophobicContact CZ-CD2 3.68Å; F603-L629 HydrophobicContact CZ-CG 4.39Å
604	N	62.7	Low	60.1	Low	38 Å²	38	80.9 Å²	80.9	20%	0.203	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-71.6	-11.1	-179	-62.3	-79.3	0	0	0	114.5	K518 F519 A602	K518-N604 WeakPolarHBondContact CA-OD1 3.22Å; K518-N604 WeakPolarHBondContact CB-OD1 3.5Å; K518-N604 HydrophobicContact CD-CB 4.43Å; F519-N604 PolarHBondContact N-OD1 2.9Å; F519-N604 PolarHBondContact O-ND2 3.11Å; F519-N604 PolarHBondContact O-OD1 2.95Å; A602-N604 PolarHBondContact O-N 3.28Å
605	D	57.1	Low	62.9	Low	118 Å²	118	71.7 Å²	71.7	63%	0.631	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-83.1	-7.2	-176.9	-58.3	-7.6	0	0	0	111.5	A602 F603 P607	A602-D605 VanDerWaalsContact CB-OD2 3.29Å; A602-D605 WeakPolarHBondContact CB-OD2 3.41Å; A602-D605 WeakPolarHBondContact O-CB 3.27Å; A602-D605 PolarHBondContact O-N 3.09Å; F603-D605 PolarHBondContact O-N 2.74Å; D605-P607 WeakPolarHBondContact O-CD 3.4Å
606	Y	55.4	Low	65.3	Low	128 Å²	128	68 Å²	68	50%	0.502	36%	0.36	S	S	.	.			trans	-109.9	68.2	174.2	-57.2	-85.2	0	0	0	110.7	F603 N608 F609	F603-Y606 PolarHBondContact O-N 3.16Å; Y606-N608 PolarHBondContact O-N 3.24Å; Y606-F609 PolarHBondContact O-N 2.83Å
607	P	52.1	Low	67.6	Low	99 Å²	99	61.6 Å²	61.6	64%	0.643	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.9	-172.6	30.1	-38.5	0	0	0	114.7	D605 F609	D605-P607 WeakPolarHBondContact O-CD 3.4Å; P607-F609 PolarHBondContact O-N 3.01Å
608	N	50.5	Low	69.3	Low	151 Å²	151	58.1 Å²	58.1	81%	0.807	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-4.2	178	-64.2	-12.8	0	0	0	113.5	Y606	Y606-N608 PolarHBondContact O-N 3.24Å
609	F	53.7	Low	70.9	Confident	98 Å²	98	55.6 Å²	55.6	43%	0.43	30%	0.297	S	S	.	.	S	Bend	trans	-110.8	127.4	179.7	-65.8	-97.1	0	0	0	111.5	Y606 P607 F611 W624	Y606-F609 PolarHBondContact O-N 2.83Å; P607-F609 PolarHBondContact O-N 3.01Å; F609-F611 WeakPolarHBondContact O-CD2 3.27Å; F609-F611 WeakPolarHBondContact O-CE2 3.28Å; F609-F611 PolarHBondContact O-N 3.39Å; F609-W624 AromaticContact CD1-CE2 3.9Å; F609-W624 AromaticContact CD1-CZ2 3.77Å; F609-W624 HydrophobicContact CD1-CZ2 3.77Å; F609-W624 AromaticContact CD1-NE1 3.82Å; F609-W624 HydrophobicContact CD2-CZ2 4.29Å; F609-W624 AromaticContact CE1-CZ2 3.91Å; F609-W624 HydrophobicContact CE1-CZ2 3.91Å; F609-W624 HydrophobicContact CE2-CZ2 4.4Å; F609-W624 AromaticContact CG-CE2 3.92Å; F609-W624 AromaticContact CG-CZ2 3.97Å; F609-W624 HydrophobicContact CG-CZ2 3.97Å; F609-W624 AromaticContact CG-NE1 3.45Å; F609-W624 HydrophobicContact CZ-CZ2 4.22Å
610	D	69.2	Low	72.7	Confident	75 Å²	75	53.6 Å²	53.6	40%	0.401	29%	0.288	S	S	.	.			trans	-70.3	123.1	177.4	-71	-72.6	0	0	0	112.4	P461 G625	P461-D610 HydrophobicContact CB-CB 4.39Å; P461-D610 WeakPolarHBondContact CB-OD2 3.35Å; P461-D610 VanDerWaalsContact CG-OD2 3.26Å; P461-D610 WeakPolarHBondContact CG-OD2 3.44Å; D610-G625 PolarHBondContact O-N 3.47Å; D610-G625 VanDerWaalsContact O-N 3.15Å
611	F	81.3	Confident	75	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141.7	167.6	-65.4	-84.1	0	0	0	110.1	P515 I516 F519 F603 F609 Q623 W624 L629	P515-F611 WeakPolarHBondContact CA-O 3.47Å; I516-F611 HydrophobicContact CD1-CB 4.04Å; I516-F611 HydrophobicContact CG1-CB 3.54Å; I516-F611 PolarHBondContact N-O 2.76Å; F519-F611 HydrophobicContact CD1-CD1 4.1Å; F519-F611 HydrophobicContact CD1-CE1 4.39Å; F519-F611 HydrophobicContact CD1-CG 4.38Å; F519-F611 AromaticContact CE1-CD1 3.67Å; F519-F611 HydrophobicContact CE1-CD1 3.67Å; F519-F611 AromaticContact CE1-CE1 3.58Å; F519-F611 HydrophobicContact CE1-CE1 3.58Å; F519-F611 HydrophobicContact CE1-CG 4.34Å; F519-F611 HydrophobicContact CE1-CZ 4.19Å; F519-F611 HydrophobicContact CZ-CE1 4.46Å; F603-F611 HydrophobicContact CB-CE1 3.9Å; F603-F611 HydrophobicContact CB-CZ 3.75Å; F603-F611 AromaticContact CD1-CE1 3.85Å; F603-F611 HydrophobicContact CD1-CE1 3.85Å; F603-F611 HydrophobicContact CD1-CZ 4.1Å; F603-F611 HydrophobicContact CG-CE1 4.21Å; F603-F611 HydrophobicContact CG-CZ 4.39Å; F603-F611 VanDerWaalsContact O-CZ 3.3Å; F603-F611 WeakPolarHBondContact O-CZ 3.4Å; F609-F611 WeakPolarHBondContact O-CD2 3.27Å; F609-F611 WeakPolarHBondContact O-CE2 3.28Å; F609-F611 PolarHBondContact O-N 3.39Å; F611-Q623 WeakPolarHBondContact CA-O 3.43Å; F611-W624 HydrophobicContact CD1-CB 3.94Å; F611-W624 AromaticContact CD1-CD1 3.75Å; F611-W624 HydrophobicContact CD1-CG 4.2Å; F611-W624 HydrophobicContact CE1-CB 3.8Å; F611-W624 AromaticContact CE1-CD1 3.14Å; F611-W624 AromaticContact CE1-CG 3.67Å; F611-W624 HydrophobicContact CE1-CG 3.67Å; F611-W624 AromaticContact CE1-NE1 3.97Å; F611-W624 AromaticContact CE2-CD1 3.99Å; F611-W624 AromaticContact CZ-CD1 3.27Å; F611-W624 HydrophobicContact CZ-CG 4.18Å; F611-W624 AromaticContact CZ-NE1 3.68Å; F611-L629 HydrophobicContact CE1-CD1 4.3Å
612	S	86.8	Confident	76.6	Confident	17 Å²	17	43.2 Å²	43.2	12%	0.119	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.1	176.7	-77	0	0	0	0	112.1	H514 Q623	H514-S612 WeakPolarHBondContact O-CA 3.42Å; S612-Q623 PolarHBondContact N-O 2.89Å; S612-Q623 PolarHBondContact O-N 3.26Å
613	L	91	Very high	77.7	Confident	6 Å²	6	41.3 Å²	41.3	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127	166.8	-64.6	173.9	0	0	0	109.6	H514 I516 F621 L622 L666 C668 F670 F679	H514-L613 PolarHBondContact N-O 2.89Å; H514-L613 PolarHBondContact O-N 3.15Å; I516-L613 HydrophobicContact CD1-CG 4.25Å; I516-L613 HydrophobicContact CG2-CD1 3.98Å; I516-L613 HydrophobicContact CG2-CG 4.03Å; L613-F621 CarbonylContact C-O 3.44Å; L613-F621 WeakPolarHBondContact CA-O 3.17Å; L613-L622 HydrophobicContact CD2-CB 4.25Å; L613-L622 HydrophobicContact CD2-CD1 3.69Å; L613-L666 HydrophobicContact CD2-CD2 4.28Å; L613-C668 HydrophobicContact CD1-CB 3.94Å; L613-F670 HydrophobicContact CD1-CZ 4.16Å; L613-F679 HydrophobicContact CB-CD2 4.49Å; L613-F679 HydrophobicContact CB-CE1 4.19Å; L613-F679 HydrophobicContact CB-CE2 3.59Å; L613-F679 HydrophobicContact CB-CZ 3.43Å; L613-F679 VanDerWaalsContact CB-CZ 3.43Å; L613-F679 HydrophobicContact CD1-CD1 4.15Å; L613-F679 HydrophobicContact CD1-CE1 3.35Å; L613-F679 HydrophobicContact CD1-CE2 4.31Å; L613-F679 HydrophobicContact CD1-CZ 3.46Å; L613-F679 VanDerWaalsContact CD1-CZ 3.46Å; L613-F679 HydrophobicContact CG-CE1 4.39Å; L613-F679 HydrophobicContact CG-CZ 4.04Å
614	G	91.3	Very high	78.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.5	172.7	0	0	0	0	0	111.9	E512 L620 F621	E512-G614 CarbonylContact O-C 3.53Å; E512-G614 VanDerWaalsContact O-CA 3.31Å; E512-G614 WeakPolarHBondContact O-CA 3.47Å; G614-L620 CarbonylContact O-C 3.56Å; G614-L620 VanDerWaalsContact O-CA 3.26Å; G614-L620 WeakPolarHBondContact O-CA 3.49Å; G614-F621 PolarHBondContact N-O 3.4Å; G614-F621 PolarHBondContact O-N 3.45Å
615	V	94.2	Very high	79	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.1	162.5	-165	0	0	0	0	108.3	V511 E512 L620 W634 F679 A682 H686	V511-V615 WeakPolarHBondContact CA-O 3.28Å; E512-V615 HydrophobicContact CB-CB 4.43Å; E512-V615 PolarHBondContact N-O 3.5Å; E512-V615 PolarHBondContact O-N 2.93Å; V615-L620 HydrophobicContact CB-CD2 4.15Å; V615-L620 HydrophobicContact CG1-CD2 3.87Å; V615-L620 HydrophobicContact CG2-CD2 3.96Å; V615-W634 HydrophobicContact CG1-CH2 4.18Å; V615-W634 HydrophobicContact CG1-CZ2 4.2Å; V615-F679 HydrophobicContact CG2-CD2 3.79Å; V615-F679 HydrophobicContact CG2-CE2 3.4Å; V615-F679 HydrophobicContact CG2-CZ 4.39Å; V615-A682 HydrophobicContact CG2-CB 4.21Å; V615-H686 HydrophobicContact CG1-CB 3.8Å; V615-H686 VanDerWaalsContact CG1-CG 3.5Å
616	Y	94	Very high	79.6	Confident	30 Å²	30	41.4 Å²	41.4	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	-177.2	172.3	79.4	-62.8	0	0	0	111.6	A618 G619 F621 H631	Y616-A618 VanDerWaalsContact C-N 3.31Å; Y616-A618 HydrophobicContact CD2-CB 4.47Å; Y616-A618 HydrophobicContact CE1-CB 4.39Å; Y616-A618 HydrophobicContact CE2-CB 3.78Å; Y616-A618 PolarHBondContact O-N 2.74Å; Y616-G619 VanDerWaalsContact CD1-O 3.26Å; Y616-G619 WeakPolarHBondContact CD1-O 3.36Å; Y616-G619 PolarHBondContact N-O 2.98Å; Y616-G619 VanDerWaalsContact N-O 3.12Å; Y616-G619 PolarHBondContact O-N 3.43Å; Y616-F621 AromaticContact CD1-CD1 3.93Å; Y616-F621 HydrophobicContact CD1-CD1 3.93Å; Y616-F621 HydrophobicContact CD1-CE1 4.21Å; Y616-F621 AromaticContact CE1-CD1 3.87Å; Y616-F621 HydrophobicContact CE1-CD1 3.87Å; Y616-F621 HydrophobicContact CE1-CE1 4.42Å; Y616-H631 AromaticContact CE1-NE2 3.91Å; Y616-H631 AromaticContact CZ-NE2 3.91Å; Y616-H631 PolarHBondContact OH-CE1 2.72Å; Y616-H631 PolarHBondContact OH-NE2 3.13Å; Y616-H631 VanDerWaalsContact OH-NE2 3.15Å
617	F	92.7	Very high	80.4	Confident	41 Å²	41	39.1 Å²	39.1	18%	0.18	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.3	-171.2	72.4	-94.1	0	0	0	114.8	Q255 Y509 W634 F690	Q255-F617 HydrophobicContact CB-CD2 3.84Å; Q255-F617 HydrophobicContact CB-CE2 3.67Å; Q255-F617 HydrophobicContact CB-CG 4.4Å; Q255-F617 HydrophobicContact CB-CZ 4.08Å; Q255-F617 HydrophobicContact CG-CD2 4.21Å; Q255-F617 HydrophobicContact CG-CE2 3.52Å; Q255-F617 HydrophobicContact CG-CZ 3.78Å; Q255-F617 VanDerWaalsContact OE1-CE2 3.27Å; Y509-F617 HydrophobicContact CD1-CE1 4.48Å; F617-W634 VanDerWaalsContact O-CD1 3.25Å; F617-W634 PolarHBondContact O-NE1 2.93Å; F617-F690 HydrophobicContact CB-CD1 4.18Å; F617-F690 HydrophobicContact CB-CD2 4.13Å; F617-F690 HydrophobicContact CB-CE1 3.87Å; F617-F690 HydrophobicContact CB-CE2 3.83Å; F617-F690 HydrophobicContact CB-CG 4.31Å; F617-F690 HydrophobicContact CB-CZ 3.69Å
618	A	91.2	Very high	81.8	Confident	28 Å²	28	37.1 Å²	37.1	23%	0.231	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.6	-175.1	0	0	0	0	0	114.8	Y616 K633 W634	Y616-A618 VanDerWaalsContact C-N 3.31Å; Y616-A618 HydrophobicContact CD2-CB 4.47Å; Y616-A618 HydrophobicContact CE1-CB 4.39Å; Y616-A618 HydrophobicContact CE2-CB 3.78Å; Y616-A618 PolarHBondContact O-N 2.74Å; A618-K633 WeakPolarHBondContact O-CA 3.5Å; A618-W634 VanDerWaalsContact O-CD1 3.29Å; A618-W634 PolarHBondContact O-N 2.82Å
619	G	93.3	Very high	83.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.3	-151.4	-175.8	0	0	0	0	0	114.7	Y616 Y632	Y616-G619 VanDerWaalsContact CD1-O 3.26Å; Y616-G619 WeakPolarHBondContact CD1-O 3.36Å; Y616-G619 PolarHBondContact N-O 2.98Å; Y616-G619 VanDerWaalsContact N-O 3.12Å; Y616-G619 PolarHBondContact O-N 3.43Å; G619-Y632 WeakPolarHBondContact CA-O 3.16Å
620	L	94.8	Very high	84.8	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.5	176.1	-55.5	-179.1	0	0	0	110.6	G614 V615 H631 Y632 W634 I637 L649 C683	G614-L620 CarbonylContact O-C 3.56Å; G614-L620 VanDerWaalsContact O-CA 3.26Å; G614-L620 WeakPolarHBondContact O-CA 3.49Å; V615-L620 HydrophobicContact CB-CD2 4.15Å; V615-L620 HydrophobicContact CG1-CD2 3.87Å; V615-L620 HydrophobicContact CG2-CD2 3.96Å; L620-H631 PolarHBondContact O-CD2 3.33Å; L620-Y632 PolarHBondContact N-O 3.17Å; L620-Y632 PolarHBondContact O-N 3.27Å; L620-W634 HydrophobicContact CD2-CH2 3.65Å; L620-W634 HydrophobicContact CD2-CZ2 4.37Å; L620-W634 HydrophobicContact CD2-CZ3 4.15Å; L620-W634 HydrophobicContact CG-CH2 4.09Å; L620-W634 HydrophobicContact CG-CZ3 4.12Å; L620-I637 HydrophobicContact CD1-CD1 3.91Å; L620-I637 HydrophobicContact CG-CD1 3.95Å; L620-L649 HydrophobicContact CD1-CD1 4.16Å; L620-L649 HydrophobicContact CD1-CD2 4.16Å; L620-C683 HydrophobicContact CD2-CB 4.43Å; L620-C683 VanDerWaalsContact CD2-SG 3.54Å
621	F	90	Very high	85.7	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	154.1	169.6	68.8	-100.6	0	0	0	113.4	F508 V511 L513 L613 G614 Y616 Q623 R628 S630 H631	F508-F621 HydrophobicContact CD1-CZ 4.37Å; F508-F621 HydrophobicContact CE1-CE2 4.18Å; F508-F621 AromaticContact CE1-CZ 3.94Å; F508-F621 HydrophobicContact CE1-CZ 3.94Å; V511-F621 HydrophobicContact CB-CE1 4.34Å; V511-F621 HydrophobicContact CB-CZ 4.35Å; V511-F621 HydrophobicContact CG1-CE1 3.63Å; V511-F621 HydrophobicContact CG1-CZ 3.51Å; V511-F621 HydrophobicContact CG2-CE1 3.67Å; V511-F621 HydrophobicContact CG2-CZ 3.91Å; L513-F621 HydrophobicContact CD2-CE2 4.27Å; L513-F621 HydrophobicContact CD2-CZ 4.21Å; L613-F621 CarbonylContact C-O 3.44Å; L613-F621 WeakPolarHBondContact CA-O 3.17Å; G614-F621 PolarHBondContact N-O 3.4Å; G614-F621 PolarHBondContact O-N 3.45Å; Y616-F621 AromaticContact CD1-CD1 3.93Å; Y616-F621 HydrophobicContact CD1-CD1 3.93Å; Y616-F621 HydrophobicContact CD1-CE1 4.21Å; Y616-F621 AromaticContact CE1-CD1 3.87Å; Y616-F621 HydrophobicContact CE1-CD1 3.87Å; Y616-F621 HydrophobicContact CE1-CE1 4.42Å; F621-Q623 HydrophobicContact CD2-CB 4.27Å; F621-Q623 HydrophobicContact CE2-CB 4.06Å; F621-R628 HydrophobicContact CD2-CG 4.01Å; F621-R628 HydrophobicContact CE2-CG 3.96Å; F621-S630 CarbonylContact C-O 3.57Å; F621-S630 WeakPolarHBondContact CA-O 3.34Å; F621-S630 WeakPolarHBondContact CB-O 3.23Å; F621-H631 HydrophobicContact CB-CB 4.36Å
622	L	89.3	Confident	86.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.2	170.5	-179.4	65.4	0	0	0	109.7	I516 F519 L613 L629 S630	I516-L622 HydrophobicContact CD1-CD1 3.86Å; F519-L622 HydrophobicContact CD1-CD2 4.41Å; F519-L622 HydrophobicContact CD2-CD2 3.94Å; F519-L622 HydrophobicContact CE1-CD2 4.21Å; F519-L622 HydrophobicContact CE2-CD2 3.69Å; F519-L622 HydrophobicContact CG-CD2 4.29Å; F519-L622 HydrophobicContact CZ-CD2 3.84Å; L613-L622 HydrophobicContact CD2-CB 4.25Å; L613-L622 HydrophobicContact CD2-CD1 3.69Å; L622-L629 HydrophobicContact CB-CB 4.47Å; L622-L629 HydrophobicContact CD2-CB 4.26Å; L622-L629 HydrophobicContact CD2-CD1 4.05Å; L622-L629 HydrophobicContact CG-CB 4.28Å; L622-L629 HydrophobicContact CG-CD1 4.25Å; L622-L629 PolarHBondContact O-N 3.41Å; L622-S630 WeakPolarHBondContact CB-OG 3.37Å; L622-S630 PolarHBondContact N-O 3.04Å
623	Q	82.1	Confident	86.4	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.056	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.3	-178.7	174	177	-14.5	0	0	111	F508 F611 S612 F621 G625 I627	F508-Q623 VanDerWaalsContact CE1-OE1 3.28Å; F611-Q623 WeakPolarHBondContact CA-O 3.43Å; S612-Q623 PolarHBondContact N-O 2.89Å; S612-Q623 PolarHBondContact O-N 3.26Å; F621-Q623 HydrophobicContact CD2-CB 4.27Å; F621-Q623 HydrophobicContact CE2-CB 4.06Å; Q623-G625 WeakPolarHBondContact CG-O 3.21Å; Q623-G625 PolarHBondContact NE2-O 3.11Å; Q623-I627 VanDerWaalsContact CA-O 3.28Å; Q623-I627 WeakPolarHBondContact CA-O 3.49Å
624	W	79.3	Confident	86.5	Confident	60 Å²	60	34.4 Å²	34.4	23%	0.227	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.5	172.8	173.2	65.5	0	0	0	108.2	F603 F609 F611 H626 I627 L629	F603-W624 HydrophobicContact CD1-CD2 4.42Å; F603-W624 HydrophobicContact CD1-CG 4.41Å; F603-W624 HydrophobicContact CE1-CD2 4.2Å; F603-W624 HydrophobicContact CE1-CE3 4.31Å; F603-W624 HydrophobicContact CE1-CG 4.44Å; F609-W624 AromaticContact CD1-CE2 3.9Å; F609-W624 AromaticContact CD1-CZ2 3.77Å; F609-W624 HydrophobicContact CD1-CZ2 3.77Å; F609-W624 AromaticContact CD1-NE1 3.82Å; F609-W624 HydrophobicContact CD2-CZ2 4.29Å; F609-W624 AromaticContact CE1-CZ2 3.91Å; F609-W624 HydrophobicContact CE1-CZ2 3.91Å; F609-W624 HydrophobicContact CE2-CZ2 4.4Å; F609-W624 AromaticContact CG-CE2 3.92Å; F609-W624 AromaticContact CG-CZ2 3.97Å; F609-W624 HydrophobicContact CG-CZ2 3.97Å; F609-W624 AromaticContact CG-NE1 3.45Å; F609-W624 HydrophobicContact CZ-CZ2 4.22Å; F611-W624 HydrophobicContact CD1-CB 3.94Å; F611-W624 AromaticContact CD1-CD1 3.75Å; F611-W624 HydrophobicContact CD1-CG 4.2Å; F611-W624 HydrophobicContact CE1-CB 3.8Å; F611-W624 AromaticContact CE1-CD1 3.14Å; F611-W624 AromaticContact CE1-CG 3.67Å; F611-W624 HydrophobicContact CE1-CG 3.67Å; F611-W624 AromaticContact CE1-NE1 3.97Å; F611-W624 AromaticContact CE2-CD1 3.99Å; F611-W624 AromaticContact CZ-CD1 3.27Å; F611-W624 HydrophobicContact CZ-CG 4.18Å; F611-W624 AromaticContact CZ-NE1 3.68Å; W624-H626 PolarHBondContact O-N 2.83Å; W624-H626 VanDerWaalsContact O-N 3.11Å; W624-I627 HydrophobicContact CE3-CD1 4.24Å; W624-I627 HydrophobicContact CZ3-CD1 4.12Å; W624-I627 PolarHBondContact N-O 3.34Å; W624-I627 PolarHBondContact O-N 2.82Å; W624-L629 HydrophobicContact CB-CD1 3.74Å; W624-L629 HydrophobicContact CB-CD2 4.13Å; W624-L629 HydrophobicContact CB-CG 3.9Å
625	G	70.5	Confident	86.3	Confident	35 Å²	35	39.3 Å²	39.3	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-116.6	-168.2	0	0	0	0	0	110.9	D610 Q623	D610-G625 PolarHBondContact O-N 3.47Å; D610-G625 VanDerWaalsContact O-N 3.15Å; Q623-G625 WeakPolarHBondContact CG-O 3.21Å; Q623-G625 PolarHBondContact NE2-O 3.11Å
626	H	68.8	Low	86	Confident	76 Å²	76	42.3 Å²	42.3	35%	0.352	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-4	173.3	-60.8	-60.1	0	0	0	114.2	L284 G462 W624	L284-H626 HydrophobicContact CD1-CB 4.48Å; G462-H626 PolarHBondContact O-CE1 3.12Å; W624-H626 PolarHBondContact O-N 2.83Å; W624-H626 VanDerWaalsContact O-N 3.11Å
627	I	72.3	Confident	85.9	Confident	81 Å²	81	41.7 Å²	41.7	42%	0.415	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	142.2	-171.9	-57.8	174.9	0	0	0	110.5	Q623 W624 L629	Q623-I627 VanDerWaalsContact CA-O 3.28Å; Q623-I627 WeakPolarHBondContact CA-O 3.49Å; W624-I627 HydrophobicContact CE3-CD1 4.24Å; W624-I627 HydrophobicContact CZ3-CD1 4.12Å; W624-I627 PolarHBondContact N-O 3.34Å; W624-I627 PolarHBondContact O-N 2.82Å; I627-L629 HydrophobicContact CG2-CD2 4.46Å
628	R	81.2	Confident	85.7	Confident	56 Å²	56	41 Å²	41	21%	0.211	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.6	175.2	-65.5	179.4	-179.5	-166.7	-7.3	109.7	S507 F508 F621	S507-R628 PolarHBondContact O-NH1 2.92Å; S507-R628 PolarHBondContact O-NH2 2.84Å; F508-R628 VanDerWaalsContact CE1-NH2 3.28Å; F508-R628 VanDerWaalsContact CG-NH2 3.31Å; F621-R628 HydrophobicContact CD2-CG 4.01Å; F621-R628 HydrophobicContact CE2-CG 3.96Å
629	L	82.6	Confident	85.5	Confident	44 Å²	44	42.7 Å²	42.7	23%	0.23	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-40	-178	-62	-173	0	0	0	112.3	F603 F611 L622 W624 I627	F603-L629 HydrophobicContact CD1-CD1 3.95Å; F603-L629 HydrophobicContact CE1-CD1 3.65Å; F603-L629 HydrophobicContact CE1-CD2 3.74Å; F603-L629 HydrophobicContact CE1-CG 4.37Å; F603-L629 HydrophobicContact CE2-CD1 4.25Å; F603-L629 HydrophobicContact CG-CD1 4.38Å; F603-L629 HydrophobicContact CZ-CD1 3.82Å; F603-L629 HydrophobicContact CZ-CD2 3.68Å; F603-L629 HydrophobicContact CZ-CG 4.39Å; F611-L629 HydrophobicContact CE1-CD1 4.3Å; L622-L629 HydrophobicContact CB-CB 4.47Å; L622-L629 HydrophobicContact CD2-CB 4.26Å; L622-L629 HydrophobicContact CD2-CD1 4.05Å; L622-L629 HydrophobicContact CG-CB 4.28Å; L622-L629 HydrophobicContact CG-CD1 4.25Å; L622-L629 PolarHBondContact O-N 3.41Å; W624-L629 HydrophobicContact CB-CD1 3.74Å; W624-L629 HydrophobicContact CB-CD2 4.13Å; W624-L629 HydrophobicContact CB-CG 3.9Å; I627-L629 HydrophobicContact CG2-CD2 4.46Å
630	S	84.9	Confident	85.5	Confident	24 Å²	24	44.1 Å²	44.1	17%	0.168	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	149	-177.8	64.4	0	0	0	0	112.2	F621 L622 Y632	F621-S630 CarbonylContact C-O 3.57Å; F621-S630 WeakPolarHBondContact CA-O 3.34Å; F621-S630 WeakPolarHBondContact CB-O 3.23Å; L622-S630 WeakPolarHBondContact CB-OG 3.37Å; L622-S630 PolarHBondContact N-O 3.04Å; S630-Y632 WeakPolarHBondContact CB-OH 3.17Å; S630-Y632 VanDerWaalsContact OG-CE2 3.23Å; S630-Y632 WeakPolarHBondContact OG-CE2 3.33Å; S630-Y632 PolarHBondContact OG-OH 3.11Å
631	H	88.9	Confident	85.2	Confident	69 Å²	69	44.5 Å²	44.5	32%	0.319	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.2	178.9	168.9	-137.4	0	0	0	111.4	Y616 L620 F621	Y616-H631 AromaticContact CE1-NE2 3.91Å; Y616-H631 AromaticContact CZ-NE2 3.91Å; Y616-H631 PolarHBondContact OH-CE1 2.72Å; Y616-H631 PolarHBondContact OH-NE2 3.13Å; Y616-H631 VanDerWaalsContact OH-NE2 3.15Å; L620-H631 PolarHBondContact O-CD2 3.33Å; F621-H631 HydrophobicContact CB-CB 4.36Å
632	Y	91.2	Very high	85.1	Confident	17 Å²	17	46 Å²	46	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	91.3	-175.3	-48.8	-70.5	0	0	0	109.9	G619 L620 S630 L649 V651 L666	G619-Y632 WeakPolarHBondContact CA-O 3.16Å; L620-Y632 PolarHBondContact N-O 3.17Å; L620-Y632 PolarHBondContact O-N 3.27Å; S630-Y632 WeakPolarHBondContact CB-OH 3.17Å; S630-Y632 VanDerWaalsContact OG-CE2 3.23Å; S630-Y632 WeakPolarHBondContact OG-CE2 3.33Å; S630-Y632 PolarHBondContact OG-OH 3.11Å; Y632-L649 HydrophobicContact CD2-CD2 3.66Å; Y632-L649 HydrophobicContact CE2-CD2 4.06Å; Y632-L649 HydrophobicContact CG-CD2 3.97Å; Y632-V651 HydrophobicContact CD1-CB 4.39Å; Y632-V651 HydrophobicContact CD1-CG1 4.08Å; Y632-V651 HydrophobicContact CD1-CG2 3.76Å; Y632-V651 HydrophobicContact CE1-CG2 4.24Å; Y632-V651 HydrophobicContact CG-CG2 4.2Å; Y632-L666 HydrophobicContact CE2-CD2 3.75Å
633	K	91.3	Very high	84.9	Confident	114 Å²	114	48.5 Å²	48.5	50%	0.496	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	141.1	172.7	-68.1	-171.9	178.2	-174.2	0	110.6	A618 S635 R636	A618-K633 WeakPolarHBondContact O-CA 3.5Å; K633-S635 PolarHBondContact O-N 3.38Å; K633-S635 VanDerWaalsContact O-N 3.1Å; K633-R636 PolarHBondContact O-N 2.97Å
634	W	92.5	Very high	85.3	Confident	30 Å²	30	51 Å²	51	11%	0.114	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-48.4	-42.6	-179.3	-68.7	122.5	0	0	0	113.7	V615 F617 A618 L620 R636 I637 C683 H686 H687	V615-W634 HydrophobicContact CG1-CH2 4.18Å; V615-W634 HydrophobicContact CG1-CZ2 4.2Å; F617-W634 VanDerWaalsContact O-CD1 3.25Å; F617-W634 PolarHBondContact O-NE1 2.93Å; A618-W634 VanDerWaalsContact O-CD1 3.29Å; A618-W634 PolarHBondContact O-N 2.82Å; L620-W634 HydrophobicContact CD2-CH2 3.65Å; L620-W634 HydrophobicContact CD2-CZ2 4.37Å; L620-W634 HydrophobicContact CD2-CZ3 4.15Å; L620-W634 HydrophobicContact CG-CH2 4.09Å; L620-W634 HydrophobicContact CG-CZ3 4.12Å; W634-R636 PolarHBondContact O-N 3.38Å; W634-R636 VanDerWaalsContact O-N 3.12Å; W634-I637 HydrophobicContact CE3-CD1 3.82Å; W634-I637 HydrophobicContact CZ3-CD1 4.07Å; W634-I637 WeakPolarHBondContact O-CB 3.49Å; W634-I637 PolarHBondContact O-N 3.49Å; W634-C683 HydrophobicContact CH2-CB 4.48Å; W634-C683 WeakPolarHBondContact CH2-O 3.45Å; W634-H686 HydrophobicContact CH2-CB 4.33Å; W634-H686 HydrophobicContact CZ2-CB 3.85Å; W634-H687 HydrophobicContact CD2-CB 4.19Å; W634-H687 AromaticContact CD2-CD2 3.68Å; W634-H687 HydrophobicContact CE3-CB 3.84Å; W634-H687 AromaticContact CE3-CD2 3.67Å; W634-H687 AromaticContact CE3-CG 3.92Å; W634-H687 AromaticContact CG-CD2 3.76Å; W634-H687 HydrophobicContact CH2-CB 4.15Å; W634-H687 HydrophobicContact CZ2-CB 4.44Å; W634-H687 HydrophobicContact CZ3-CB 3.83Å
635	S	88.3	Confident	85.7	Confident	102 Å²	102	49.5 Å²	49.5	71%	0.713	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.5	-179.7	56.6	0	0	0	0	115.5	K633	K633-S635 PolarHBondContact O-N 3.38Å; K633-S635 VanDerWaalsContact O-N 3.1Å
636	R	87.8	Confident	86.6	Confident	63 Å²	63	50.1 Å²	50.1	24%	0.238	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-93.9	-13.1	175.6	-67.7	-177.1	60.7	-158.9	-2.5	113.4	K633 W634 V638 V651 K652 N654	K633-R636 PolarHBondContact O-N 2.97Å; W634-R636 PolarHBondContact O-N 3.38Å; W634-R636 VanDerWaalsContact O-N 3.12Å; R636-V638 PolarHBondContact O-N 3.3Å; R636-V651 HydrophobicContact CB-CG1 3.73Å; R636-V651 WeakPolarHBondContact O-CA 3.27Å; R636-V651 WeakPolarHBondContact O-CG1 3.33Å; R636-K652 PolarHBondContact NE-O 3.33Å; R636-K652 PolarHBondContact NH2-O 3.05Å; R636-K652 PolarHBondContact O-N 3.43Å; R636-N654 PolarHBondContact NE-OD1 2.88Å; R636-N654 PolarHBondContact NH1-OD1 3.4Å; R636-N654 PolarHBondContact NH2-OD1 2.98Å
637	I	90.8	Very high	87.7	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.6	-177.1	-60.4	-175.4	0	0	0	109.1	L620 W634 I640 L649	L620-I637 HydrophobicContact CD1-CD1 3.91Å; L620-I637 HydrophobicContact CG-CD1 3.95Å; W634-I637 HydrophobicContact CE3-CD1 3.82Å; W634-I637 HydrophobicContact CZ3-CD1 4.07Å; W634-I637 WeakPolarHBondContact O-CB 3.49Å; W634-I637 PolarHBondContact O-N 3.49Å; I637-I640 HydrophobicContact CG2-CG2 3.93Å; I637-L649 HydrophobicContact CB-CD1 4.3Å; I637-L649 HydrophobicContact CD1-CD1 3.89Å; I637-L649 HydrophobicContact CG1-CD1 3.94Å; I637-L649 HydrophobicContact CG2-CD1 3.55Å
638	V	87.9	Confident	88.6	Confident	27 Å²	27	43.7 Å²	43.7	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-46.1	-179.4	-175.7	0	0	0	0	110.8	W17 F529 R636 V650 K652	W17-V638 PolarHBondContact NE1-O 3.09Å; F529-V638 HydrophobicContact CE2-CG1 4.4Å; F529-V638 HydrophobicContact CZ-CG1 4.08Å; R636-V638 PolarHBondContact O-N 3.3Å; V638-V650 HydrophobicContact CB-CG1 4.4Å; V638-V650 PolarHBondContact N-O 3.4Å; V638-K652 HydrophobicContact CG2-CG 3.58Å
639	K	88.8	Confident	89.1	Confident	63 Å²	63	41.2 Å²	41.2	27%	0.274	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	140	-177.9	-169.6	160.7	-175.2	160.9	0	110.4	T533 V650	T533-K639 HydrophobicContact CG2-CD 4.11Å; K639-V650 PolarHBondContact N-O 3.36Å; K639-V650 PolarHBondContact O-N 3.14Å
640	I	92.1	Very high	89.5	Confident	30 Å²	30	39.6 Å²	39.6	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.1	164.4	51.2	171.8	0	0	0	109.1	I637 F647 L649 Y680 C683 V684	I637-I640 HydrophobicContact CG2-CG2 3.93Å; I640-F647 HydrophobicContact CB-CE2 4.2Å; I640-F647 HydrophobicContact CB-CZ 3.99Å; I640-F647 HydrophobicContact CG2-CE2 4.47Å; I640-F647 HydrophobicContact CG2-CZ 3.77Å; I640-L649 HydrophobicContact CG2-CD1 3.59Å; I640-Y680 HydrophobicContact CD1-CD2 4.46Å; I640-Y680 HydrophobicContact CD1-CE2 4.35Å; I640-Y680 HydrophobicContact CG1-CE2 4.2Å; I640-C683 HydrophobicContact CD1-CB 3.69Å; I640-V684 HydrophobicContact CD1-CG2 3.76Å
641	C	89.4	Confident	89.6	Confident	12 Å²	12	38.5 Å²	38.5	8%	0.081	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	158.1	177.4	50.1	0	0	0	0	110.7	F647 C648	C641-F647 WeakPolarHBondContact O-CD2 3.21Å; C641-C648 PolarHBondContact N-O 3.49Å; C641-C648 PolarHBondContact O-N 3.4Å; C641-C648 VanDerWaalsContact SG-CB 3.56Å; C641-C648 PolarHBondContact SG-O 3.27Å
642	F	87.6	Confident	89.4	Confident	34 Å²	34	40.6 Å²	40.6	15%	0.149	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.1	175.5	81.9	-73.7	0	0	0	110	F540 E646 F647 A676 R677 Y680	F540-F642 WeakPolarHBondContact CE1-O 3.28Å; F642-E646 CarbonylContact C-O 3.46Å; F642-E646 VanDerWaalsContact CA-O 3.27Å; F642-E646 WeakPolarHBondContact CA-O 3.49Å; F642-F647 HydrophobicContact CB-CD2 4.24Å; F642-A676 HydrophobicContact CD2-CB 4.48Å; F642-R677 HydrophobicContact CD2-CB 4.46Å; F642-R677 HydrophobicContact CE2-CB 3.89Å; F642-R677 HydrophobicContact CE2-CG 4.11Å; F642-R677 HydrophobicContact CZ-CB 4.28Å; F642-R677 HydrophobicContact CZ-CG 4Å; F642-Y680 HydrophobicContact CB-CD2 4.47Å; F642-Y680 HydrophobicContact CB-CG 4.44Å; F642-Y680 AromaticContact CD1-CD1 3.54Å; F642-Y680 HydrophobicContact CD1-CD1 3.54Å; F642-Y680 AromaticContact CD1-CD2 3.72Å; F642-Y680 HydrophobicContact CD1-CD2 3.72Å; F642-Y680 HydrophobicContact CD1-CE1 4.06Å; F642-Y680 HydrophobicContact CD1-CE2 4.23Å; F642-Y680 AromaticContact CD1-CG 3.34Å; F642-Y680 HydrophobicContact CD1-CG 3.34Å; F642-Y680 AromaticContact CE1-CD1 3.56Å; F642-Y680 HydrophobicContact CE1-CD1 3.56Å; F642-Y680 AromaticContact CE1-CE1 3.93Å; F642-Y680 HydrophobicContact CE1-CE1 3.93Å; F642-Y680 AromaticContact CE1-CG 3.9Å; F642-Y680 HydrophobicContact CE1-CG 3.9Å; F642-Y680 HydrophobicContact CG-CG 4.14Å
643	Y	85.4	Confident	88.7	Confident	52 Å²	52	40.5 Å²	40.5	20%	0.204	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	120.2	175.1	178.3	-95.3	0	0	0	108.7	D645 E646	Y643-D645 PolarHBondContact O-N 3.36Å; Y643-E646 PolarHBondContact N-O 3.5Å; Y643-E646 PolarHBondContact O-N 2.97Å
644	L	90.2	Very high	87.4	Confident	66 Å²	66	40.1 Å²	40.1	35%	0.346	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-119.8	-170.6	-57.1	177.5	0	0	0	111.5	Q673 A676	L644-Q673 WeakPolarHBondContact O-CA 3.35Å; L644-Q673 WeakPolarHBondContact O-CB 3.38Å; L644-Q673 WeakPolarHBondContact O-CG 3.2Å; L644-A676 WeakPolarHBondContact O-CB 3.46Å
645	D	87.5	Confident	85.7	Confident	27 Å²	27	45.5 Å²	45.5	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.3	176.7	60.4	-36.9	0	0	0	113.9	Y643 K669 F670	Y643-D645 PolarHBondContact O-N 3.36Å; D645-K669 WeakPolarHBondContact OD2-CE 3.24Å; D645-K669 IonicContact OD2-NZ 3.46Å; D645-F670 WeakPolarHBondContact O-CB 3.45Å; D645-F670 PolarHBondContact O-N 3.49Å
646	E	89.2	Confident	84.1	Confident	49 Å²	49	45.3 Å²	45.3	23%	0.229	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.9	179	-52.8	-167.4	129	0	0	111.8	F642 Y643 K667 C668	F642-E646 CarbonylContact C-O 3.46Å; F642-E646 VanDerWaalsContact CA-O 3.27Å; F642-E646 WeakPolarHBondContact CA-O 3.49Å; Y643-E646 PolarHBondContact N-O 3.5Å; Y643-E646 PolarHBondContact O-N 2.97Å; E646-K667 WeakPolarHBondContact OE1-CE 3.43Å; E646-K667 IonicContact OE1-NZ 3.39Å; E646-K667 PolarHBondContact OE1-NZ 2.82Å; E646-K667 WeakPolarHBondContact OE2-CE 3.49Å; E646-K667 IonicContact OE2-NZ 2.79Å; E646-K667 PolarHBondContact OE2-NZ 2.99Å; E646-C668 WeakPolarHBondContact CA-O 3.31Å
647	F	92.3	Very high	82.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.4	172.6	175.6	-89.5	0	0	0	109.8	I640 C641 F642 L649 K667 C668 F670 F679 Y680	I640-F647 HydrophobicContact CB-CE2 4.2Å; I640-F647 HydrophobicContact CB-CZ 3.99Å; I640-F647 HydrophobicContact CG2-CE2 4.47Å; I640-F647 HydrophobicContact CG2-CZ 3.77Å; C641-F647 WeakPolarHBondContact O-CD2 3.21Å; F642-F647 HydrophobicContact CB-CD2 4.24Å; F647-L649 HydrophobicContact CE1-CB 3.79Å; F647-L649 HydrophobicContact CZ-CB 4.5Å; F647-K667 CarbonylContact O-C 3.56Å; F647-K667 WeakPolarHBondContact O-CA 3.32Å; F647-C668 PolarHBondContact N-O 3.23Å; F647-C668 PolarHBondContact O-N 2.9Å; F647-F670 HydrophobicContact CB-CD2 4.26Å; F647-F670 HydrophobicContact CB-CE2 3.76Å; F647-F670 HydrophobicContact CG-CE2 4.44Å; F647-F679 HydrophobicContact CD1-CD1 4.11Å; F647-F679 AromaticContact CD1-CE1 3.66Å; F647-F679 HydrophobicContact CD1-CE1 3.66Å; F647-F679 AromaticContact CD2-CD1 3.73Å; F647-F679 HydrophobicContact CD2-CD1 3.73Å; F647-F679 AromaticContact CD2-CE1 4Å; F647-F679 HydrophobicContact CD2-CE1 4Å; F647-F679 HydrophobicContact CE1-CD1 4.18Å; F647-F679 AromaticContact CE1-CE1 3.44Å; F647-F679 HydrophobicContact CE1-CE1 3.44Å; F647-F679 VanDerWaalsContact CE1-CE1 3.44Å; F647-F679 HydrophobicContact CE1-CZ 4.38Å; F647-F679 AromaticContact CE2-CD1 3.81Å; F647-F679 HydrophobicContact CE2-CD1 3.81Å; F647-F679 AromaticContact CE2-CE1 3.8Å; F647-F679 HydrophobicContact CE2-CE1 3.8Å; F647-F679 AromaticContact CG-CD1 3.88Å; F647-F679 HydrophobicContact CG-CD1 3.88Å; F647-F679 AromaticContact CG-CE1 3.93Å; F647-F679 HydrophobicContact CG-CE1 3.93Å; F647-F679 HydrophobicContact CZ-CD1 4.04Å; F647-F679 AromaticContact CZ-CE1 3.51Å; F647-F679 HydrophobicContact CZ-CE1 3.51Å; F647-F679 HydrophobicContact CZ-CZ 4.43Å; F647-Y680 HydrophobicContact CE2-CD2 4.25Å
648	C	90.9	Very high	80.9	Confident	20 Å²	20	51.3 Å²	51.3	14%	0.135	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.5	-176.6	-72.5	0	0	0	0	110.3	C641 L665 L666	C641-C648 PolarHBondContact N-O 3.49Å; C641-C648 PolarHBondContact O-N 3.4Å; C641-C648 VanDerWaalsContact SG-CB 3.56Å; C641-C648 PolarHBondContact SG-O 3.27Å; C648-L665 HydrophobicContact CB-CD1 3.82Å; C648-L666 WeakPolarHBondContact CA-O 3.38Å
649	L	92	Very high	79.4	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.9	176.3	167.6	66.2	0	0	0	109.4	L620 Y632 I637 I640 F647 V651 L665 L666	L620-L649 HydrophobicContact CD1-CD1 4.16Å; L620-L649 HydrophobicContact CD1-CD2 4.16Å; Y632-L649 HydrophobicContact CD2-CD2 3.66Å; Y632-L649 HydrophobicContact CE2-CD2 4.06Å; Y632-L649 HydrophobicContact CG-CD2 3.97Å; I637-L649 HydrophobicContact CB-CD1 4.3Å; I637-L649 HydrophobicContact CD1-CD1 3.89Å; I637-L649 HydrophobicContact CG1-CD1 3.94Å; I637-L649 HydrophobicContact CG2-CD1 3.55Å; I640-L649 HydrophobicContact CG2-CD1 3.59Å; F647-L649 HydrophobicContact CE1-CB 3.79Å; F647-L649 HydrophobicContact CZ-CB 4.5Å; L649-V651 HydrophobicContact CD1-CG2 4.03Å; L649-V651 HydrophobicContact CD2-CG2 3.97Å; L649-V651 HydrophobicContact CG-CG2 3.68Å; L649-L665 WeakPolarHBondContact O-CA 3.44Å; L649-L666 HydrophobicContact CB-CB 4.34Å; L649-L666 HydrophobicContact CD2-CD2 4.28Å; L649-L666 PolarHBondContact N-O 3.35Å; L649-L666 PolarHBondContact O-N 3.38Å
650	V	89.9	Confident	78	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.3	174.3	-174.5	0	0	0	0	110.5	F529 V638 K639 R663 I664 L665	F529-V650 HydrophobicContact CD2-CG1 3.95Å; F529-V650 HydrophobicContact CE2-CB 4.17Å; F529-V650 HydrophobicContact CE2-CG1 3.78Å; F529-V650 HydrophobicContact CE2-CG2 4.16Å; V638-V650 HydrophobicContact CB-CG1 4.4Å; V638-V650 PolarHBondContact N-O 3.4Å; K639-V650 PolarHBondContact N-O 3.36Å; K639-V650 PolarHBondContact O-N 3.14Å; V650-R663 HydrophobicContact CG1-CB 3.82Å; V650-R663 HydrophobicContact CG1-CG 4.43Å; V650-I664 WeakPolarHBondContact CA-O 3.2Å; V650-L665 HydrophobicContact CG2-CD1 4.04Å
651	V	87.7	Confident	76.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.1	-173.8	-166.4	0	0	0	0	110.4	Y632 R636 L649 R663 I664	Y632-V651 HydrophobicContact CD1-CB 4.39Å; Y632-V651 HydrophobicContact CD1-CG1 4.08Å; Y632-V651 HydrophobicContact CD1-CG2 3.76Å; Y632-V651 HydrophobicContact CE1-CG2 4.24Å; Y632-V651 HydrophobicContact CG-CG2 4.2Å; R636-V651 HydrophobicContact CB-CG1 3.73Å; R636-V651 WeakPolarHBondContact O-CA 3.27Å; R636-V651 WeakPolarHBondContact O-CG1 3.33Å; L649-V651 HydrophobicContact CD1-CG2 4.03Å; L649-V651 HydrophobicContact CD2-CG2 3.97Å; L649-V651 HydrophobicContact CG-CG2 3.68Å; V651-R663 CarbonylContact O-C 3.51Å; V651-R663 WeakPolarHBondContact O-CA 3.38Å; V651-I664 PolarHBondContact N-O 3.28Å; V651-I664 PolarHBondContact O-N 2.99Å
652	K	84.6	Confident	75.2	Confident	114 Å²	114	57.7 Å²	57.7	50%	0.496	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.4	169.7	-57.9	-176.9	-177.7	179	0	110.2	R636 V638	R636-K652 PolarHBondContact NE-O 3.33Å; R636-K652 PolarHBondContact NH2-O 3.05Å; R636-K652 PolarHBondContact O-N 3.43Å; V638-K652 HydrophobicContact CG2-CG 3.58Å
653	S	76.3	Confident	74.8	Confident	14 Å²	14	58.6 Å²	58.6	10%	0.098	31%	0.31	C	S	.	.			trans	-67.2	163.2	168.5	-171.8	0	0	0	0	111.1	P662	S653-P662 WeakPolarHBondContact CB-O 3.38Å; S653-P662 PolarHBondContact N-O 3.26Å
654	N	64.6	Low	74.5	Confident	107 Å²	107	57 Å²	57	57%	0.572	31%	0.305	S	S	*	.	S	Bend	trans	-90.2	-17.3	177.7	-73.5	-5.9	0	0	0	113.5	R636 I656	R636-N654 PolarHBondContact NE-OD1 2.88Å; R636-N654 PolarHBondContact NH1-OD1 3.4Å; R636-N654 PolarHBondContact NH2-OD1 2.98Å; N654-I656 PolarHBondContact O-N 3.45Å
655	H	57.4	Low	74.3	Confident	143 Å²	143	54.2 Å²	54.2	66%	0.662	29%	0.291	S	S	*	.	S	Bend	trans	-82.6	-11.7	-153.5	-77.8	-86.7	0	0	0	117
656	I	53.7	Low	74.3	Confident	98 Å²	98	53 Å²	53	50%	0.503	28%	0.284	S	S	.	.			trans	-144.3	135	176.7	-40.1	177.5	0	0	0	109.1	N654 S658 S661	N654-I656 PolarHBondContact O-N 3.45Å; I656-S658 WeakPolarHBondContact CG2-OG 3.43Å; I656-S658 PolarHBondContact O-N 3.47Å; I656-S661 WeakPolarHBondContact O-CB 3.26Å
657	K	54.4	Low	74.3	Confident	167 Å²	167	52.4 Å²	52.4	73%	0.726	28%	0.281	S	S	*	.			trans	-71	0	173.8	-73.9	-179.1	177.4	173.6	0	114.1	N885	K657-N885 WeakPolarHBondContact CE-OD1 3.4Å; K657-N885 PolarHBondContact NZ-OD1 2.81Å
658	S	56.6	Low	74.3	Confident	39 Å²	39	52.4 Å²	52.4	27%	0.273	28%	0.281	S	S	.	.	S	Bend	trans	-75	150.6	-175.7	66.4	0	0	0	0	113	I656 S660 S661	I656-S658 WeakPolarHBondContact CG2-OG 3.43Å; I656-S658 PolarHBondContact O-N 3.47Å; S658-S660 WeakPolarHBondContact CB-OG 3.35Å; S658-S660 PolarHBondContact O-N 2.05Å; S658-S660 VanDerWaalsContact O-N 3.17Å; S658-S660 PolarHBondContact OG-OG 2.84Å; S658-S661 WeakPolarHBondContact O-CB 3.45Å; S658-S661 PolarHBondContact O-N 3.05Å; S658-S661 PolarHBondContact O-OG 2.98Å; S658-S661 PolarHBondContact OG-N 3Å
659	S	56.1	Low	74.2	Confident	122 Å²	122	54.9 Å²	54.9	85%	0.853	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.9	170.7	-172.5	0	0	0	0	112.7	S661	S659-S661 VanDerWaalsContact C-N 3.3Å; S659-S661 PolarHBondContact O-N 3.2Å
660	S	60	Low	73.9	Confident	80 Å²	80	54.8 Å²	54.8	56%	0.559	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-4	175.1	55.9	0	0	0	0	115.1	S658	S658-S660 WeakPolarHBondContact CB-OG 3.35Å; S658-S660 PolarHBondContact O-N 2.05Å; S658-S660 VanDerWaalsContact O-N 3.17Å; S658-S660 PolarHBondContact OG-OG 2.84Å
661	S	62	Low	73.6	Confident	25 Å²	25	55.1 Å²	55.1	18%	0.175	29%	0.293	C	S	.	.			trans	-46.4	134.9	-171.1	45.2	0	0	0	0	114.5	I656 S658 S659	I656-S661 WeakPolarHBondContact O-CB 3.26Å; S658-S661 WeakPolarHBondContact O-CB 3.45Å; S658-S661 PolarHBondContact O-N 3.05Å; S658-S661 PolarHBondContact O-OG 2.98Å; S658-S661 PolarHBondContact OG-N 3Å; S659-S661 VanDerWaalsContact C-N 3.3Å; S659-S661 PolarHBondContact O-N 3.2Å
662	P	62.1	Low	73.3	Confident	38 Å²	38	57.7 Å²	57.7	25%	0.247	30%	0.304	C	S	.	.			trans	-63.9	146.5	-175.4	25.1	-33.1	0	0	0	111.1	Y523 S653	Y523-P662 HydrophobicContact CD1-CB 4.38Å; S653-P662 WeakPolarHBondContact CB-O 3.38Å; S653-P662 PolarHBondContact N-O 3.26Å
663	R	78.2	Confident	73.5	Confident	53 Å²	53	56 Å²	56	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.2	178.8	-62.1	-178.9	-176.5	-171.8	-1.4	109.5	Y523 I524 V650 V651	Y523-R663 CarbonylContact C-O 3.51Å; Y523-R663 WeakPolarHBondContact CA-O 3.21Å; I524-R663 PolarHBondContact N-O 3.02Å; I524-R663 PolarHBondContact O-N 3.14Å; V650-R663 HydrophobicContact CG1-CB 3.82Å; V650-R663 HydrophobicContact CG1-CG 4.43Å; V651-R663 CarbonylContact O-C 3.51Å; V651-R663 WeakPolarHBondContact O-CA 3.38Å
664	I	79.7	Confident	74	Confident	20 Å²	20	60.7 Å²	60.7	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123	173.4	-61.5	168.9	0	0	0	107.3	Y523 L598 V650 V651	Y523-I664 HydrophobicContact CD1-CG1 3.92Å; Y523-I664 HydrophobicContact CE1-CD1 4.24Å; Y523-I664 HydrophobicContact CE1-CG1 3.79Å; L598-I664 HydrophobicContact CD1-CG2 3.94Å; L598-I664 HydrophobicContact CD2-CD1 4.4Å; V650-I664 WeakPolarHBondContact CA-O 3.2Å; V651-I664 PolarHBondContact N-O 3.28Å; V651-I664 PolarHBondContact O-N 2.99Å
665	L	85.9	Confident	75.1	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	118.4	163.9	169.4	65.4	0	0	0	108.6	A521 S522 I524 F589 C648 L649 V650	A521-L665 WeakPolarHBondContact CA-O 3.41Å; S522-L665 PolarHBondContact N-O 3.41Å; S522-L665 PolarHBondContact O-N 2.82Å; I524-L665 HydrophobicContact CD1-CB 3.44Å; I524-L665 VanDerWaalsContact CD1-CB 3.44Å; I524-L665 HydrophobicContact CD1-CD2 3.8Å; I524-L665 HydrophobicContact CD1-CG 4.2Å; I524-L665 HydrophobicContact CG1-CB 4.07Å; F589-L665 HydrophobicContact CD1-CD2 4.49Å; F589-L665 HydrophobicContact CE1-CD2 3.64Å; F589-L665 HydrophobicContact CZ-CD2 4.18Å; C648-L665 HydrophobicContact CB-CD1 3.82Å; L649-L665 WeakPolarHBondContact O-CA 3.44Å; V650-L665 HydrophobicContact CG2-CD1 4.04Å
666	L	88	Confident	76.6	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117.6	161.6	177.4	66.2	0	0	0	108.3	F519 A521 L613 Y632 C648 L649	F519-L666 HydrophobicContact CB-CD1 4.28Å; F519-L666 HydrophobicContact CD2-CD1 3.76Å; F519-L666 HydrophobicContact CG-CD1 4.43Å; A521-L666 HydrophobicContact CB-CD1 4.29Å; L613-L666 HydrophobicContact CD2-CD2 4.28Å; Y632-L666 HydrophobicContact CE2-CD2 3.75Å; C648-L666 WeakPolarHBondContact CA-O 3.38Å; L649-L666 HydrophobicContact CB-CB 4.34Å; L649-L666 HydrophobicContact CD2-CD2 4.28Å; L649-L666 PolarHBondContact N-O 3.35Å; L649-L666 PolarHBondContact O-N 3.38Å
667	K	89.2	Confident	78.4	Confident	36 Å²	36	49.8 Å²	49.8	16%	0.157	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.4	174.3	-175.8	178.9	-170.6	-165.7	0	109.4	F519 H520 E646 F647	F519-K667 CarbonylContact C-O 3.59Å; F519-K667 VanDerWaalsContact CA-O 3.24Å; F519-K667 WeakPolarHBondContact CA-O 3.26Å; H520-K667 PolarHBondContact N-O 3.06Å; H520-K667 PolarHBondContact O-N 2.95Å; E646-K667 WeakPolarHBondContact OE1-CE 3.43Å; E646-K667 IonicContact OE1-NZ 3.39Å; E646-K667 PolarHBondContact OE1-NZ 2.82Å; E646-K667 WeakPolarHBondContact OE2-CE 3.49Å; E646-K667 IonicContact OE2-NZ 2.79Å; E646-K667 PolarHBondContact OE2-NZ 2.99Å; F647-K667 CarbonylContact O-C 3.56Å; F647-K667 WeakPolarHBondContact O-CA 3.32Å
668	C	90.4	Very high	80.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.2	-179.2	-62.7	0	0	0	0	110.7	I516 L613 E646 F647	I516-C668 HydrophobicContact CD1-CB 4.01Å; I516-C668 HydrophobicContact CG2-CB 4.21Å; L613-C668 HydrophobicContact CD1-CB 3.94Å; E646-C668 WeakPolarHBondContact CA-O 3.31Å; F647-C668 PolarHBondContact N-O 3.23Å; F647-C668 PolarHBondContact O-N 2.9Å
669	K	88.8	Confident	81.9	Confident	73 Å²	73	41.4 Å²	41.4	32%	0.317	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.2	178	-169.6	-179.7	-177.1	-173.3	0	110.4	K517 K518 D645	K517-K669 PolarHBondContact N-O 3.46Å; K518-K669 PolarHBondContact O-N 2.83Å; D645-K669 WeakPolarHBondContact OD2-CE 3.24Å; D645-K669 IonicContact OD2-NZ 3.46Å
670	F	87.8	Confident	83.7	Confident	1 Å²	1	39 Å²	39	0%	0.004	19%	0.186	C	C	.	.			trans	-84.2	173	176.3	-76.9	-83.6	0	0	0	112.2	H514 P515 I516 L613 D645 F647 L675 A676 F679	H514-F670 HydrophobicContact CB-CE1 3.9Å; H514-F670 HydrophobicContact CB-CZ 4.42Å; P515-F670 VanDerWaalsContact O-CD1 3.25Å; P515-F670 WeakPolarHBondContact O-CD1 3.38Å; P515-F670 WeakPolarHBondContact O-CE1 3.47Å; I516-F670 HydrophobicContact CG2-CD1 4.02Å; I516-F670 HydrophobicContact CG2-CE1 3.56Å; I516-F670 HydrophobicContact CG2-CE2 4.17Å; I516-F670 HydrophobicContact CG2-CG 4.49Å; I516-F670 HydrophobicContact CG2-CZ 3.66Å; L613-F670 HydrophobicContact CD1-CZ 4.16Å; D645-F670 WeakPolarHBondContact O-CB 3.45Å; D645-F670 PolarHBondContact O-N 3.49Å; F647-F670 HydrophobicContact CB-CD2 4.26Å; F647-F670 HydrophobicContact CB-CE2 3.76Å; F647-F670 HydrophobicContact CG-CE2 4.44Å; F670-L675 HydrophobicContact CB-CB 4.23Å; F670-L675 HydrophobicContact CD1-CB 3.91Å; F670-L675 HydrophobicContact CG-CB 4.3Å; F670-A676 HydrophobicContact CB-CB 4.14Å; F670-A676 HydrophobicContact CD2-CB 3.59Å; F670-A676 HydrophobicContact CE2-CB 4.35Å; F670-A676 HydrophobicContact CG-CB 4.03Å; F670-F679 HydrophobicContact CE1-CB 4.18Å; F670-F679 HydrophobicContact CE1-CG 4.41Å; F670-F679 HydrophobicContact CE2-CB 4.2Å; F670-F679 AromaticContact CE2-CD1 3.77Å; F670-F679 HydrophobicContact CE2-CD1 3.77Å; F670-F679 HydrophobicContact CE2-CG 4.24Å; F670-F679 HydrophobicContact CZ-CB 3.64Å; F670-F679 AromaticContact CZ-CD1 3.48Å; F670-F679 HydrophobicContact CZ-CD1 3.48Å; F670-F679 VanDerWaalsContact CZ-CD1 3.48Å; F670-F679 HydrophobicContact CZ-CD2 4.39Å; F670-F679 HydrophobicContact CZ-CE1 4.21Å; F670-F679 AromaticContact CZ-CG 3.58Å; F670-F679 HydrophobicContact CZ-CG 3.58Å
671	A	82.9	Confident	85.3	Confident	18 Å²	18	39.9 Å²	39.9	15%	0.149	18%	0.177	C	C	.	.	S	Bend	trans	-68.2	-34.1	175.2	0	0	0	0	0	113.4	F222 K517 L675	F222-A671 HydrophobicContact CD2-CB 4.38Å; F222-A671 HydrophobicContact CE1-CB 3.87Å; F222-A671 HydrophobicContact CE2-CB 3.71Å; F222-A671 HydrophobicContact CZ-CB 3.43Å; F222-A671 VanDerWaalsContact CZ-CB 3.43Å; K517-A671 HydrophobicContact CD-CB 4.36Å; K517-A671 HydrophobicContact CG-CB 4.49Å; A671-L675 HydrophobicContact CB-CD1 4.07Å
672	F	82	Confident	86.8	Confident	53 Å²	53	38.9 Å²	38.9	23%	0.232	17%	0.17	C	C	.	.	S	Bend	trans	-163.2	160	178.2	48.8	-86.4	0	0	0	111.7	F222 K674 L675 A676	F222-F672 HydrophobicContact CB-CE1 3.75Å; F222-F672 HydrophobicContact CB-CZ 3.97Å; F222-F672 HydrophobicContact CD1-CE1 4.04Å; F222-F672 HydrophobicContact CD2-CE1 4.12Å; F222-F672 AromaticContact CG-CE1 3.7Å; F222-F672 HydrophobicContact CG-CE1 3.7Å; F222-F672 HydrophobicContact CG-CZ 4.31Å; F672-K674 VanDerWaalsContact C-N 3.28Å; F672-K674 HydrophobicContact CD2-CB 3.8Å; F672-K674 HydrophobicContact CD2-CG 4.4Å; F672-K674 HydrophobicContact CE2-CB 3.87Å; F672-K674 PolarHBondContact O-N 3.31Å; F672-K674 VanDerWaalsContact O-N 3.12Å; F672-L675 HydrophobicContact CD1-CD1 4.18Å; F672-L675 HydrophobicContact CD1-CG 4.44Å; F672-L675 HydrophobicContact CD2-CG 4.15Å; F672-L675 HydrophobicContact CE1-CD1 3.68Å; F672-L675 HydrophobicContact CE1-CG 4Å; F672-L675 HydrophobicContact CE2-CD1 4.32Å; F672-L675 HydrophobicContact CE2-CD2 4.2Å; F672-L675 HydrophobicContact CE2-CG 3.7Å; F672-L675 HydrophobicContact CG-CG 4.5Å; F672-L675 HydrophobicContact CZ-CD1 3.76Å; F672-L675 HydrophobicContact CZ-CD2 4.03Å; F672-L675 HydrophobicContact CZ-CG 3.6Å; F672-L675 PolarHBondContact O-N 3.04Å; F672-A676 PolarHBondContact O-N 3.44Å
673	Q	87.5	Confident	88.4	Confident	79 Å²	79	37 Å²	37	37%	0.369	16%	0.159	S	C	.	.	H	α-helix	trans	-54.3	-33.7	-173.6	174.1	174.5	45.4	0	0	115	L644 L675 A676 R677	L644-Q673 WeakPolarHBondContact O-CA 3.35Å; L644-Q673 WeakPolarHBondContact O-CB 3.38Å; L644-Q673 WeakPolarHBondContact O-CG 3.2Å; Q673-L675 VanDerWaalsContact C-N 3.28Å; Q673-L675 PolarHBondContact O-N 3.48Å; Q673-A676 PolarHBondContact O-N 3.33Å; Q673-R677 WeakPolarHBondContact O-CB 3.25Å; Q673-R677 PolarHBondContact O-N 2.9Å
674	K	86.7	Confident	89.2	Confident	112 Å²	112	36.5 Å²	36.5	49%	0.487	16%	0.161	S	C	.	.	H	α-helix	trans	-62.7	-34.8	178.9	-62.3	-177.8	178.4	179.4	0	111.7	L155 F672 R678	L155-K674 HydrophobicContact CD1-CD 4.46Å; F672-K674 VanDerWaalsContact C-N 3.28Å; F672-K674 HydrophobicContact CD2-CB 3.8Å; F672-K674 HydrophobicContact CD2-CG 4.4Å; F672-K674 HydrophobicContact CE2-CB 3.87Å; F672-K674 PolarHBondContact O-N 3.31Å; F672-K674 VanDerWaalsContact O-N 3.12Å; K674-R678 VanDerWaalsContact O-CB 3.28Å; K674-R678 WeakPolarHBondContact O-CB 3.17Å; K674-R678 PolarHBondContact O-N 3.07Å
675	L	87.3	Confident	89.8	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-73.3	-42.7	176.2	-63.4	-179	0	0	0	112.4	F222 V225 F670 A671 F672 Q673 R677 R678 F679	F222-L675 HydrophobicContact CD1-CD1 3.68Å; F222-L675 HydrophobicContact CE1-CD1 3.76Å; V225-L675 HydrophobicContact CG1-CD2 3.94Å; V225-L675 HydrophobicContact CG2-CD2 4.4Å; F670-L675 HydrophobicContact CB-CB 4.23Å; F670-L675 HydrophobicContact CD1-CB 3.91Å; F670-L675 HydrophobicContact CG-CB 4.3Å; A671-L675 HydrophobicContact CB-CD1 4.07Å; F672-L675 HydrophobicContact CD1-CD1 4.18Å; F672-L675 HydrophobicContact CD1-CG 4.44Å; F672-L675 HydrophobicContact CD2-CG 4.15Å; F672-L675 HydrophobicContact CE1-CD1 3.68Å; F672-L675 HydrophobicContact CE1-CG 4Å; F672-L675 HydrophobicContact CE2-CD1 4.32Å; F672-L675 HydrophobicContact CE2-CD2 4.2Å; F672-L675 HydrophobicContact CE2-CG 3.7Å; F672-L675 HydrophobicContact CG-CG 4.5Å; F672-L675 HydrophobicContact CZ-CD1 3.76Å; F672-L675 HydrophobicContact CZ-CD2 4.03Å; F672-L675 HydrophobicContact CZ-CG 3.6Å; F672-L675 PolarHBondContact O-N 3.04Å; Q673-L675 VanDerWaalsContact C-N 3.28Å; Q673-L675 PolarHBondContact O-N 3.48Å; L675-R677 VanDerWaalsContact C-N 3.27Å; L675-R677 PolarHBondContact O-N 2.96Å; L675-R678 WeakPolarHBondContact O-CB 3.07Å; L675-R678 PolarHBondContact O-N 3Å; L675-R678 VanDerWaalsContact O-N 3.16Å; L675-F679 WeakPolarHBondContact O-CB 3.47Å; L675-F679 PolarHBondContact O-N 3.3Å
676	A	90.1	Very high	90.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-40.8	174.5	0	0	0	0	0	111.6	F642 L644 F670 F672 Q673 Y680	F642-A676 HydrophobicContact CD2-CB 4.48Å; L644-A676 WeakPolarHBondContact O-CB 3.46Å; F670-A676 HydrophobicContact CB-CB 4.14Å; F670-A676 HydrophobicContact CD2-CB 3.59Å; F670-A676 HydrophobicContact CE2-CB 4.35Å; F670-A676 HydrophobicContact CG-CB 4.03Å; F672-A676 PolarHBondContact O-N 3.44Å; Q673-A676 PolarHBondContact O-N 3.33Å; A676-Y680 WeakPolarHBondContact O-CB 3.14Å; A676-Y680 PolarHBondContact O-N 2.96Å
677	R	91.3	Very high	90.4	Very high	114 Å²	114	38.8 Å²	38.8	43%	0.43	17%	0.171	S	C	.	.	H	α-helix	trans	-67.9	-39.6	174.4	-170.9	-177.3	-62.9	-91.8	0.3	112.7	F642 Q673 L675 R681	F642-R677 HydrophobicContact CD2-CB 4.46Å; F642-R677 HydrophobicContact CE2-CB 3.89Å; F642-R677 HydrophobicContact CE2-CG 4.11Å; F642-R677 HydrophobicContact CZ-CB 4.28Å; F642-R677 HydrophobicContact CZ-CG 4Å; Q673-R677 WeakPolarHBondContact O-CB 3.25Å; Q673-R677 PolarHBondContact O-N 2.9Å; L675-R677 VanDerWaalsContact C-N 3.27Å; L675-R677 PolarHBondContact O-N 2.96Å; R677-R681 WeakPolarHBondContact O-CB 3.43Å; R677-R681 WeakPolarHBondContact O-CG 3.37Å; R677-R681 PolarHBondContact O-N 2.95Å
678	R	90.5	Very high	90.5	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-47	174.5	-177.5	-172.7	-178.5	-68.1	-16.4	111	V225 P226 F227 E512 H514 K674 L675 R681 A682	V225-R678 VanDerWaalsContact CG1-NE 3.29Å; P226-R678 PolarHBondContact O-NE 2.86Å; P226-R678 PolarHBondContact O-NH2 3.37Å; F227-R678 HydrophobicContact CD1-CG 4.48Å; F227-R678 HydrophobicContact CE1-CB 4.26Å; F227-R678 HydrophobicContact CE1-CG 4.32Å; E512-R678 IonicContact OE1-CZ 2.67Å; E512-R678 IonicContact OE1-NH1 3.96Å; E512-R678 PolarHBondContact OE1-NH1 3.43Å; E512-R678 IonicContact OE1-NH2 3.14Å; E512-R678 PolarHBondContact OE1-NH2 2.89Å; H514-R678 PolarHBondContact CE1-NH1 2.84Å; H514-R678 PolarHBondContact ND1-NH1 3.32Å; K674-R678 VanDerWaalsContact O-CB 3.28Å; K674-R678 WeakPolarHBondContact O-CB 3.17Å; K674-R678 PolarHBondContact O-N 3.07Å; L675-R678 WeakPolarHBondContact O-CB 3.07Å; L675-R678 PolarHBondContact O-N 3Å; L675-R678 VanDerWaalsContact O-N 3.16Å; R678-R681 PolarHBondContact O-N 2.9Å; R678-A682 PolarHBondContact O-N 3.05Å
679	F	93.4	Very high	90.6	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-49.3	176.3	-178.6	-117.4	0	0	0	112.4	H514 L613 V615 F647 F670 L675 R681 A682 C683	H514-F679 HydrophobicContact CB-CB 4.45Å; H514-F679 HydrophobicContact CB-CD2 3.84Å; H514-F679 HydrophobicContact CB-CE2 4.47Å; H514-F679 HydrophobicContact CB-CG 4.38Å; H514-F679 AromaticContact CD2-CD2 3.57Å; H514-F679 VanDerWaalsContact CE1-CA 3.47Å; H514-F679 WeakPolarHBondContact CE1-CA 3.36Å; H514-F679 AromaticContact CE1-CD2 3.81Å; H514-F679 AromaticContact CG-CD2 3.47Å; H514-F679 VanDerWaalsContact CG-CD2 3.47Å; H514-F679 WeakPolarHBondContact ND1-CB 3.18Å; H514-F679 AromaticContact ND1-CD2 3.64Å; H514-F679 AromaticContact NE2-CD2 3.79Å; L613-F679 HydrophobicContact CB-CD2 4.49Å; L613-F679 HydrophobicContact CB-CE1 4.19Å; L613-F679 HydrophobicContact CB-CE2 3.59Å; L613-F679 HydrophobicContact CB-CZ 3.43Å; L613-F679 VanDerWaalsContact CB-CZ 3.43Å; L613-F679 HydrophobicContact CD1-CD1 4.15Å; L613-F679 HydrophobicContact CD1-CE1 3.35Å; L613-F679 HydrophobicContact CD1-CE2 4.31Å; L613-F679 HydrophobicContact CD1-CZ 3.46Å; L613-F679 VanDerWaalsContact CD1-CZ 3.46Å; L613-F679 HydrophobicContact CG-CE1 4.39Å; L613-F679 HydrophobicContact CG-CZ 4.04Å; V615-F679 HydrophobicContact CG2-CD2 3.79Å; V615-F679 HydrophobicContact CG2-CE2 3.4Å; V615-F679 HydrophobicContact CG2-CZ 4.39Å; F647-F679 HydrophobicContact CD1-CD1 4.11Å; F647-F679 AromaticContact CD1-CE1 3.66Å; F647-F679 HydrophobicContact CD1-CE1 3.66Å; F647-F679 AromaticContact CD2-CD1 3.73Å; F647-F679 HydrophobicContact CD2-CD1 3.73Å; F647-F679 AromaticContact CD2-CE1 4Å; F647-F679 HydrophobicContact CD2-CE1 4Å; F647-F679 HydrophobicContact CE1-CD1 4.18Å; F647-F679 AromaticContact CE1-CE1 3.44Å; F647-F679 HydrophobicContact CE1-CE1 3.44Å; F647-F679 VanDerWaalsContact CE1-CE1 3.44Å; F647-F679 HydrophobicContact CE1-CZ 4.38Å; F647-F679 AromaticContact CE2-CD1 3.81Å; F647-F679 HydrophobicContact CE2-CD1 3.81Å; F647-F679 AromaticContact CE2-CE1 3.8Å; F647-F679 HydrophobicContact CE2-CE1 3.8Å; F647-F679 AromaticContact CG-CD1 3.88Å; F647-F679 HydrophobicContact CG-CD1 3.88Å; F647-F679 AromaticContact CG-CE1 3.93Å; F647-F679 HydrophobicContact CG-CE1 3.93Å; F647-F679 HydrophobicContact CZ-CD1 4.04Å; F647-F679 AromaticContact CZ-CE1 3.51Å; F647-F679 HydrophobicContact CZ-CE1 3.51Å; F647-F679 HydrophobicContact CZ-CZ 4.43Å; F670-F679 HydrophobicContact CE1-CB 4.18Å; F670-F679 HydrophobicContact CE1-CG 4.41Å; F670-F679 HydrophobicContact CE2-CB 4.2Å; F670-F679 AromaticContact CE2-CD1 3.77Å; F670-F679 HydrophobicContact CE2-CD1 3.77Å; F670-F679 HydrophobicContact CE2-CG 4.24Å; F670-F679 HydrophobicContact CZ-CB 3.64Å; F670-F679 AromaticContact CZ-CD1 3.48Å; F670-F679 HydrophobicContact CZ-CD1 3.48Å; F670-F679 VanDerWaalsContact CZ-CD1 3.48Å; F670-F679 HydrophobicContact CZ-CD2 4.39Å; F670-F679 HydrophobicContact CZ-CE1 4.21Å; F670-F679 AromaticContact CZ-CG 3.58Å; F670-F679 HydrophobicContact CZ-CG 3.58Å; L675-F679 WeakPolarHBondContact O-CB 3.47Å; L675-F679 PolarHBondContact O-N 3.3Å; F679-R681 VanDerWaalsContact C-N 3.26Å; F679-R681 PolarHBondContact O-N 2.87Å; F679-A682 PolarHBondContact O-N 3.18Å; F679-A682 VanDerWaalsContact O-N 3.14Å; F679-C683 VanDerWaalsContact CZ-SG 3.57Å; F679-C683 PolarHBondContact O-N 3.39Å; F679-C683 PolarHBondContact O-SG 3.11Å
680	Y	95	Very high	90.7	Very high	70 Å²	70	39.9 Å²	39.9	28%	0.275	18%	0.178	S	C	.	.	H	α-helix	trans	-55.4	-42.3	175.8	173.8	-96.1	0	0	0	112.2	I640 F642 F647 A676 C683 V684	I640-Y680 HydrophobicContact CD1-CD2 4.46Å; I640-Y680 HydrophobicContact CD1-CE2 4.35Å; I640-Y680 HydrophobicContact CG1-CE2 4.2Å; F642-Y680 HydrophobicContact CB-CD2 4.47Å; F642-Y680 HydrophobicContact CB-CG 4.44Å; F642-Y680 AromaticContact CD1-CD1 3.54Å; F642-Y680 HydrophobicContact CD1-CD1 3.54Å; F642-Y680 AromaticContact CD1-CD2 3.72Å; F642-Y680 HydrophobicContact CD1-CD2 3.72Å; F642-Y680 HydrophobicContact CD1-CE1 4.06Å; F642-Y680 HydrophobicContact CD1-CE2 4.23Å; F642-Y680 AromaticContact CD1-CG 3.34Å; F642-Y680 HydrophobicContact CD1-CG 3.34Å; F642-Y680 AromaticContact CE1-CD1 3.56Å; F642-Y680 HydrophobicContact CE1-CD1 3.56Å; F642-Y680 AromaticContact CE1-CE1 3.93Å; F642-Y680 HydrophobicContact CE1-CE1 3.93Å; F642-Y680 AromaticContact CE1-CG 3.9Å; F642-Y680 HydrophobicContact CE1-CG 3.9Å; F642-Y680 HydrophobicContact CG-CG 4.14Å; F647-Y680 HydrophobicContact CE2-CD2 4.25Å; A676-Y680 WeakPolarHBondContact O-CB 3.14Å; A676-Y680 PolarHBondContact O-N 2.96Å; Y680-C683 PolarHBondContact O-N 3.07Å; Y680-V684 HydrophobicContact CD1-CG2 4.43Å; Y680-V684 HydrophobicContact CD2-CG2 4.49Å; Y680-V684 HydrophobicContact CE1-CG2 3.98Å; Y680-V684 HydrophobicContact CE2-CG2 4.04Å; Y680-V684 WeakPolarHBondContact O-CG2 3.47Å; Y680-V684 PolarHBondContact O-N 3.41Å
681	R	93.6	Very high	90.6	Very high	99 Å²	99	44.7 Å²	44.7	37%	0.374	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-50.9	173.4	-85.3	178.5	163	-103.5	6.1	112.6	D230 R677 R678 F679 C683 V684 E685	D230-R681 IonicContact OD2-CZ 3.28Å; D230-R681 IonicContact OD2-NH1 2.76Å; D230-R681 PolarHBondContact OD2-NH1 2.86Å; D230-R681 IonicContact OD2-NH2 2.75Å; D230-R681 PolarHBondContact OD2-NH2 3.35Å; D230-R681 VanDerWaalsContact OD2-NH2 3.14Å; R677-R681 WeakPolarHBondContact O-CB 3.43Å; R677-R681 WeakPolarHBondContact O-CG 3.37Å; R677-R681 PolarHBondContact O-N 2.95Å; R678-R681 PolarHBondContact O-N 2.9Å; F679-R681 VanDerWaalsContact C-N 3.26Å; F679-R681 PolarHBondContact O-N 2.87Å; R681-C683 VanDerWaalsContact C-N 3.27Å; R681-C683 PolarHBondContact O-N 3.34Å; R681-V684 PolarHBondContact O-N 3.38Å; R681-V684 VanDerWaalsContact O-N 3.14Å; R681-E685 IonicContact NH1-OE1 3.11Å; R681-E685 VanDerWaalsContact O-CB 3.3Å; R681-E685 WeakPolarHBondContact O-CB 3.46Å; R681-E685 VanDerWaalsContact O-CG 3.26Å; R681-E685 WeakPolarHBondContact O-CG 3.5Å; R681-E685 PolarHBondContact O-N 2.92Å
682	A	93.6	Very high	90.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	22%	0.216	C	C	.	.	H	α-helix	trans	-54.1	-44.5	176.6	0	0	0	0	0	111.8	V615 R678 F679 H686	V615-A682 HydrophobicContact CG2-CB 4.21Å; R678-A682 PolarHBondContact O-N 3.05Å; F679-A682 PolarHBondContact O-N 3.18Å; F679-A682 VanDerWaalsContact O-N 3.14Å; A682-H686 WeakPolarHBondContact O-CB 3.27Å; A682-H686 PolarHBondContact O-N 3.02Å; A682-H686 PolarHBondContact O-ND1 3.01Å
683	C	95.4	Very high	89.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-46.6	176	-64.2	0	0	0	0	113.3	L620 W634 I640 F679 Y680 R681 H687	L620-C683 HydrophobicContact CD2-CB 4.43Å; L620-C683 VanDerWaalsContact CD2-SG 3.54Å; W634-C683 HydrophobicContact CH2-CB 4.48Å; W634-C683 WeakPolarHBondContact CH2-O 3.45Å; I640-C683 HydrophobicContact CD1-CB 3.69Å; F679-C683 VanDerWaalsContact CZ-SG 3.57Å; F679-C683 PolarHBondContact O-N 3.39Å; F679-C683 PolarHBondContact O-SG 3.11Å; Y680-C683 PolarHBondContact O-N 3.07Å; R681-C683 VanDerWaalsContact C-N 3.27Å; R681-C683 PolarHBondContact O-N 3.34Å; C683-H687 VanDerWaalsContact O-CB 3.31Å; C683-H687 WeakPolarHBondContact O-CB 3.42Å; C683-H687 PolarHBondContact O-N 3.11Å
684	V	93.4	Very high	88.1	Confident	41 Å²	41	48.1 Å²	48.1	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-66	-45.8	178.5	170.1	0	0	0	0	110.8	I640 Y680 R681 H687 M688	I640-V684 HydrophobicContact CD1-CG2 3.76Å; Y680-V684 HydrophobicContact CD1-CG2 4.43Å; Y680-V684 HydrophobicContact CD2-CG2 4.49Å; Y680-V684 HydrophobicContact CE1-CG2 3.98Å; Y680-V684 HydrophobicContact CE2-CG2 4.04Å; Y680-V684 WeakPolarHBondContact O-CG2 3.47Å; Y680-V684 PolarHBondContact O-N 3.41Å; R681-V684 PolarHBondContact O-N 3.38Å; R681-V684 VanDerWaalsContact O-N 3.14Å; V684-H687 PolarHBondContact O-N 3.33Å; V684-M688 HydrophobicContact CG1-CE 3.86Å; V684-M688 HydrophobicContact CG1-CG 4.42Å; V684-M688 HydrophobicContact CG1-SD 4.03Å; V684-M688 WeakPolarHBondContact O-CB 3.29Å; V684-M688 VanDerWaalsContact O-CG 3.3Å; V684-M688 WeakPolarHBondContact O-CG 3.47Å; V684-M688 PolarHBondContact O-N 3.43Å
685	E	93.4	Very high	86.7	Confident	39 Å²	39	49.8 Å²	49.8	18%	0.182	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-44.6	-178.3	-69.4	170.8	-146.4	0	0	111.5	K251 F252 R681 F689	K251-E685 VanDerWaalsContact CE-OE2 3.27Å; K251-E685 WeakPolarHBondContact CE-OE2 3.07Å; K251-E685 IonicContact NZ-OE2 2.73Å; K251-E685 PolarHBondContact NZ-OE2 3.38Å; F252-E685 HydrophobicContact CE1-CB 4.43Å; F252-E685 HydrophobicContact CZ-CB 4.26Å; R681-E685 IonicContact NH1-OE1 3.11Å; R681-E685 VanDerWaalsContact O-CB 3.3Å; R681-E685 WeakPolarHBondContact O-CB 3.46Å; R681-E685 VanDerWaalsContact O-CG 3.26Å; R681-E685 WeakPolarHBondContact O-CG 3.5Å; R681-E685 PolarHBondContact O-N 2.92Å; E685-F689 VanDerWaalsContact O-CB 3.24Å; E685-F689 WeakPolarHBondContact O-CB 3.45Å; E685-F689 PolarHBondContact O-N 3.29Å
686	H	94.4	Very high	84.9	Confident	5 Å²	5	56 Å²	56	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-47.6	172.7	-80.4	71.7	0	0	0	111.8	F252 E512 V615 W634 A682 M688 F689 F690	F252-H686 AromaticContact CE1-ND1 3.93Å; E512-H686 IonicContact OE2-CE1 3.79Å; V615-H686 HydrophobicContact CG1-CB 3.8Å; V615-H686 VanDerWaalsContact CG1-CG 3.5Å; W634-H686 HydrophobicContact CH2-CB 4.33Å; W634-H686 HydrophobicContact CZ2-CB 3.85Å; A682-H686 WeakPolarHBondContact O-CB 3.27Å; A682-H686 PolarHBondContact O-N 3.02Å; A682-H686 PolarHBondContact O-ND1 3.01Å; H686-M688 PolarHBondContact O-N 3.02Å; H686-F689 PolarHBondContact O-N 3.4Å; H686-F690 HydrophobicContact CB-CD2 4.42Å; H686-F690 AromaticContact CD2-CE2 3.86Å; H686-F690 VanDerWaalsContact O-CD2 3.24Å; H686-F690 WeakPolarHBondContact O-CD2 3.38Å; H686-F690 PolarHBondContact O-N 3.31Å
687	H	92.3	Very high	83	Confident	33 Å²	33	58.2 Å²	58.2	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-42.8	-178.3	-176.7	-119.4	0	0	0	112.2	W17 W634 C683 V684 K691	W17-H687 AromaticContact CH2-CE1 3.42Å; W17-H687 VanDerWaalsContact CH2-CE1 3.42Å; W17-H687 WeakPolarHBondContact CH2-CE1 3.48Å; W17-H687 AromaticContact CH2-ND1 3.71Å; W17-H687 AromaticContact CZ3-CE1 3.37Å; W17-H687 WeakPolarHBondContact CZ3-CE1 3.24Å; W17-H687 AromaticContact CZ3-ND1 3.77Å; W634-H687 HydrophobicContact CD2-CB 4.19Å; W634-H687 AromaticContact CD2-CD2 3.68Å; W634-H687 HydrophobicContact CE3-CB 3.84Å; W634-H687 AromaticContact CE3-CD2 3.67Å; W634-H687 AromaticContact CE3-CG 3.92Å; W634-H687 AromaticContact CG-CD2 3.76Å; W634-H687 HydrophobicContact CH2-CB 4.15Å; W634-H687 HydrophobicContact CZ2-CB 4.44Å; W634-H687 HydrophobicContact CZ3-CB 3.83Å; C683-H687 VanDerWaalsContact O-CB 3.31Å; C683-H687 WeakPolarHBondContact O-CB 3.42Å; C683-H687 PolarHBondContact O-N 3.11Å; V684-H687 PolarHBondContact O-N 3.33Å; H687-K691 WeakPolarHBondContact O-CB 3.33Å; H687-K691 PolarHBondContact O-N 3.38Å
688	M	91.6	Very high	81	Confident	99 Å²	99	56.5 Å²	56.5	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-47.5	174.2	-68.9	-174.8	-47.2	0	0	111.3	V684 H686 F690 K691 I692	V684-M688 HydrophobicContact CG1-CE 3.86Å; V684-M688 HydrophobicContact CG1-CG 4.42Å; V684-M688 HydrophobicContact CG1-SD 4.03Å; V684-M688 WeakPolarHBondContact O-CB 3.29Å; V684-M688 VanDerWaalsContact O-CG 3.3Å; V684-M688 WeakPolarHBondContact O-CG 3.47Å; V684-M688 PolarHBondContact O-N 3.43Å; H686-M688 PolarHBondContact O-N 3.02Å; M688-F690 PolarHBondContact O-N 3.44Å; M688-K691 PolarHBondContact O-N 2.79Å; M688-I692 WeakPolarHBondContact O-CB 3.22Å; M688-I692 WeakPolarHBondContact O-CD1 3.1Å; M688-I692 VanDerWaalsContact O-CG1 3.27Å; M688-I692 WeakPolarHBondContact O-CG1 3.08Å; M688-I692 PolarHBondContact O-N 3.37Å; M688-I692 VanDerWaalsContact O-N 3.09Å
689	F	92.1	Very high	78.8	Confident	14 Å²	14	61.4 Å²	61.4	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-57.1	-54.7	-178.3	-175.7	-95.4	0	0	0	111.6	Q147 Y148 F252 E685 H686 I692 H693	Q147-F689 HydrophobicContact CB-CE2 4.14Å; Q147-F689 HydrophobicContact CG-CE2 4.03Å; Q147-F689 HydrophobicContact CG-CZ 4.16Å; Q147-F689 WeakPolarHBondContact O-CE2 3.38Å; Y148-F689 AromaticContact CD1-CE1 3.98Å; Y148-F689 HydrophobicContact CD1-CE1 3.98Å; Y148-F689 AromaticContact CD1-CZ 3.7Å; Y148-F689 HydrophobicContact CD1-CZ 3.7Å; Y148-F689 AromaticContact CE1-CE1 3.61Å; Y148-F689 HydrophobicContact CE1-CE1 3.61Å; Y148-F689 AromaticContact CE1-CZ 3.49Å; Y148-F689 HydrophobicContact CE1-CZ 3.49Å; Y148-F689 VanDerWaalsContact CE1-CZ 3.49Å; Y148-F689 HydrophobicContact CG-CZ 4.41Å; F252-F689 HydrophobicContact CB-CD1 3.76Å; F252-F689 HydrophobicContact CB-CE1 3.56Å; F252-F689 HydrophobicContact CB-CG 4.33Å; F252-F689 HydrophobicContact CB-CZ 3.97Å; F252-F689 HydrophobicContact CD1-CB 4.15Å; F252-F689 HydrophobicContact CD1-CD1 4.06Å; F252-F689 HydrophobicContact CD1-CG 4.03Å; F252-F689 HydrophobicContact CD2-CB 4.37Å; F252-F689 AromaticContact CD2-CD1 3.98Å; F252-F689 HydrophobicContact CD2-CD1 3.98Å; F252-F689 AromaticContact CD2-CD2 3.47Å; F252-F689 HydrophobicContact CD2-CD2 3.47Å; F252-F689 VanDerWaalsContact CD2-CD2 3.47Å; F252-F689 HydrophobicContact CD2-CE1 4.11Å; F252-F689 AromaticContact CD2-CE2 3.61Å; F252-F689 HydrophobicContact CD2-CE2 3.61Å; F252-F689 AromaticContact CD2-CG 3.66Å; F252-F689 HydrophobicContact CD2-CG 3.66Å; F252-F689 AromaticContact CD2-CZ 3.94Å; F252-F689 HydrophobicContact CD2-CZ 3.94Å; F252-F689 HydrophobicContact CE1-CB 3.94Å; F252-F689 HydrophobicContact CE1-CG 4.21Å; F252-F689 HydrophobicContact CE2-CB 4.16Å; F252-F689 AromaticContact CE2-CD2 3.57Å; F252-F689 HydrophobicContact CE2-CD2 3.57Å; F252-F689 HydrophobicContact CE2-CE2 4.09Å; F252-F689 AromaticContact CE2-CG 3.86Å; F252-F689 HydrophobicContact CE2-CG 3.86Å; F252-F689 HydrophobicContact CG-CB 4.35Å; F252-F689 AromaticContact CG-CD1 3.67Å; F252-F689 HydrophobicContact CG-CD1 3.67Å; F252-F689 HydrophobicContact CG-CD2 4.04Å; F252-F689 AromaticContact CG-CE1 3.9Å; F252-F689 HydrophobicContact CG-CE1 3.9Å; F252-F689 HydrophobicContact CG-CE2 4.25Å; F252-F689 AromaticContact CG-CG 3.74Å; F252-F689 HydrophobicContact CG-CG 3.74Å; F252-F689 HydrophobicContact CG-CZ 4.18Å; F252-F689 HydrophobicContact CZ-CB 3.94Å; F252-F689 HydrophobicContact CZ-CD2 4.21Å; F252-F689 HydrophobicContact CZ-CG 4.12Å; E685-F689 VanDerWaalsContact O-CB 3.24Å; E685-F689 WeakPolarHBondContact O-CB 3.45Å; E685-F689 PolarHBondContact O-N 3.29Å; H686-F689 PolarHBondContact O-N 3.4Å; F689-I692 PolarHBondContact O-N 3.49Å; F689-H693 AromaticContact CD2-CE1 3.62Å; F689-H693 AromaticContact CD2-ND1 3.5Å; F689-H693 AromaticContact CE2-CE1 3.8Å; F689-H693 AromaticContact CE2-CG 4Å; F689-H693 AromaticContact CE2-ND1 3.75Å; F689-H693 AromaticContact CG-ND1 3.95Å; F689-H693 WeakPolarHBondContact O-CB 3.18Å; F689-H693 PolarHBondContact O-N 3.06Å; F689-H693 PolarHBondContact O-ND1 2.82Å
690	F	89.6	Confident	76.5	Confident	21 Å²	21	63.5 Å²	63.5	9%	0.092	31%	0.309	C	S	.	.	H	α-helix	trans	-77.5	-25.3	-176.8	-65.6	-67	0	0	0	114.1	F252 Y253 F617 H686 M688 I692 C694	F252-F690 HydrophobicContact CB-CE2 4.45Å; F252-F690 HydrophobicContact CB-CZ 4.01Å; F252-F690 HydrophobicContact CD1-CE2 4.27Å; Y253-F690 WeakPolarHBondContact O-CZ 3.38Å; F617-F690 HydrophobicContact CB-CD1 4.18Å; F617-F690 HydrophobicContact CB-CD2 4.13Å; F617-F690 HydrophobicContact CB-CE1 3.87Å; F617-F690 HydrophobicContact CB-CE2 3.83Å; F617-F690 HydrophobicContact CB-CG 4.31Å; F617-F690 HydrophobicContact CB-CZ 3.69Å; H686-F690 HydrophobicContact CB-CD2 4.42Å; H686-F690 AromaticContact CD2-CE2 3.86Å; H686-F690 VanDerWaalsContact O-CD2 3.24Å; H686-F690 WeakPolarHBondContact O-CD2 3.38Å; H686-F690 PolarHBondContact O-N 3.31Å; M688-F690 PolarHBondContact O-N 3.44Å; F690-I692 VanDerWaalsContact C-N 3.34Å; F690-C694 VanDerWaalsContact O-CB 3.28Å; F690-C694 WeakPolarHBondContact O-CB 3.27Å; F690-C694 PolarHBondContact O-SG 3.4Å; F690-C694 VanDerWaalsContact O-SG 3.36Å
691	K	85.7	Confident	74.3	Confident	102 Å²	102	61.6 Å²	61.6	44%	0.443	30%	0.304	S	S	.	.	H	α-helix	trans	-71.6	-27.8	172.3	-175	175.8	175.6	-174.1	0	112.6	H687 M688	H687-K691 WeakPolarHBondContact O-CB 3.33Å; H687-K691 PolarHBondContact O-N 3.38Å; M688-K691 PolarHBondContact O-N 2.79Å
692	I	75.4	Confident	72	Confident	96 Å²	96	60.6 Å²	60.6	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-93.5	-60.9	-179.3	-62.8	169.1	0	0	0	110.9	M688 F689 F690 C694 K695	M688-I692 WeakPolarHBondContact O-CB 3.22Å; M688-I692 WeakPolarHBondContact O-CD1 3.1Å; M688-I692 VanDerWaalsContact O-CG1 3.27Å; M688-I692 WeakPolarHBondContact O-CG1 3.08Å; M688-I692 PolarHBondContact O-N 3.37Å; M688-I692 VanDerWaalsContact O-N 3.09Å; F689-I692 PolarHBondContact O-N 3.49Å; F690-I692 VanDerWaalsContact C-N 3.34Å; I692-C694 PolarHBondContact O-N 3.25Å; I692-K695 WeakPolarHBondContact O-CB 3.06Å; I692-K695 PolarHBondContact O-N 3.15Å
693	H	65.3	Low	69.3	Low	63 Å²	63	65.7 Å²	65.7	29%	0.292	33%	0.332	S	S	.	.	H	α-helix	trans	-69.4	-33	-167.7	-65.9	80.2	0	0	0	113.7	F689 K695 H696 L697	F689-H693 AromaticContact CD2-CE1 3.62Å; F689-H693 AromaticContact CD2-ND1 3.5Å; F689-H693 AromaticContact CE2-CE1 3.8Å; F689-H693 AromaticContact CE2-CG 4Å; F689-H693 AromaticContact CE2-ND1 3.75Å; F689-H693 AromaticContact CG-ND1 3.95Å; F689-H693 WeakPolarHBondContact O-CB 3.18Å; F689-H693 PolarHBondContact O-N 3.06Å; F689-H693 PolarHBondContact O-ND1 2.82Å; H693-K695 PolarHBondContact O-N 3.49Å; H693-H696 PolarHBondContact O-N 3.39Å; H693-H696 VanDerWaalsContact O-N 3.11Å; H693-L697 PolarHBondContact O-N 2.76Å
694	C	60.1	Low	67	Low	63 Å²	63	73.3 Å²	73.3	43%	0.426	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-21.2	177.7	-64.6	0	0	0	0	113.1	F690 I692 V698	F690-C694 VanDerWaalsContact O-CB 3.28Å; F690-C694 WeakPolarHBondContact O-CB 3.27Å; F690-C694 PolarHBondContact O-SG 3.4Å; F690-C694 VanDerWaalsContact O-SG 3.36Å; I692-C694 PolarHBondContact O-N 3.25Å; C694-V698 VanDerWaalsContact O-CG2 3.29Å; C694-V698 WeakPolarHBondContact O-CG2 3.45Å
695	K	56.9	Low	64.7	Low	146 Å²	146	77 Å²	77	64%	0.635	37%	0.374	S	S	*	.	H	α-helix	trans	-67.9	-37.3	172.9	-72.9	-165.4	168.7	-159.6	0	112.5	I692 H693 H699	I692-K695 WeakPolarHBondContact O-CB 3.06Å; I692-K695 PolarHBondContact O-N 3.15Å; H693-K695 PolarHBondContact O-N 3.49Å; K695-H699 PolarHBondContact O-ND1 2.95Å
696	H	49.9	Very low	62.2	Low	137 Å²	137	82.1 Å²	82.1	63%	0.634	40%	0.398	S	S	*	.	H	α-helix	trans	-84.7	-44.5	-173.9	-66.5	-82.1	0	0	0	112.1	H693 V698 S700	H693-H696 PolarHBondContact O-N 3.39Å; H693-H696 VanDerWaalsContact O-N 3.11Å; H696-V698 PolarHBondContact O-N 3.17Å; H696-S700 WeakPolarHBondContact O-CB 3.49Å; H696-S700 PolarHBondContact O-N 2.73Å; H696-S700 VanDerWaalsContact O-N 3.12Å; H696-S700 PolarHBondContact O-OG 3.49Å
697	L	51.2	Low	59.2	Low	47 Å²	47	86.9 Å²	86.9	25%	0.246	43%	0.432	C	S	.	.	H	α-helix	trans	-72.9	-30.4	-171.8	-71.3	165.3	0	0	0	114.6	Y148 H693 S700 N701	Y148-L697 WeakPolarHBondContact OH-CD1 3.45Å; H693-L697 PolarHBondContact O-N 2.76Å; L697-S700 WeakPolarHBondContact CA-OG 3.44Å; L697-S700 PolarHBondContact O-OG 3.39Å; L697-N701 WeakPolarHBondContact O-CB 3.44Å; L697-N701 PolarHBondContact O-N 2.91Å
698	V	47.4	Very low	56.1	Low	77 Å²	77	89.5 Å²	89.5	47%	0.467	45%	0.453	S	S	.	.	H	α-helix	trans	-67.2	-49.2	178.7	175.1	0	0	0	0	110.2	C694 H696 S700 I702	C694-V698 VanDerWaalsContact O-CG2 3.29Å; C694-V698 WeakPolarHBondContact O-CG2 3.45Å; H696-V698 PolarHBondContact O-N 3.17Å; V698-S700 PolarHBondContact O-N 3.18Å; V698-I702 HydrophobicContact CG1-CD1 3.69Å; V698-I702 WeakPolarHBondContact O-CB 3.24Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.38Å; V698-I702 PolarHBondContact O-N 2.81Å
699	H	44.4	Very low	53	Low	133 Å²	133	94.9 Å²	94.9	62%	0.616	47%	0.474	S	S	*	.	H	α-helix	trans	-72.3	-25.7	179.3	-57	98	0	0	0	113.4	K695 N703	K695-H699 PolarHBondContact O-ND1 2.95Å; H699-N703 VanDerWaalsContact O-CG 3.29Å; H699-N703 PolarHBondContact O-OD1 3.22Å; H699-N703 VanDerWaalsContact O-OD1 3.1Å
700	S	46.6	Very low	50	Low	45 Å²	45	100.5 Å²	100.5	32%	0.315	51%	0.509	S	S	.	.	H	α-helix	trans	-80.9	-34.9	179.2	69.3	0	0	0	0	113.9	H696 L697 V698 K704	H696-S700 WeakPolarHBondContact O-CB 3.49Å; H696-S700 PolarHBondContact O-N 2.73Å; H696-S700 VanDerWaalsContact O-N 3.12Å; H696-S700 PolarHBondContact O-OG 3.49Å; L697-S700 WeakPolarHBondContact CA-OG 3.44Å; L697-S700 PolarHBondContact O-OG 3.39Å; V698-S700 PolarHBondContact O-N 3.18Å; S700-K704 WeakPolarHBondContact O-CB 3.3Å; S700-K704 WeakPolarHBondContact O-CD 3.38Å; S700-K704 VanDerWaalsContact O-CG 3.24Å; S700-K704 WeakPolarHBondContact O-CG 3.32Å
701	N	47.2	Very low	47	Very low	29 Å²	29	107.4 Å²	107.4	16%	0.155	54%	0.542	C	S	.	.	H	α-helix	trans	-101.5	-17.5	-169.7	-73.5	24.6	0	0	0	113.9	L259 L697	L259-N701 PolarHBondContact O-ND2 2.99Å; L697-N701 WeakPolarHBondContact O-CB 3.44Å; L697-N701 PolarHBondContact O-N 2.91Å
702	I	46.5	Very low	44.2	Very low	79 Å²	79	108 Å²	108	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-72.7	-59.2	169.1	-69	177.1	0	0	0	109.3	V698 K704 R705 E706	V698-I702 HydrophobicContact CG1-CD1 3.69Å; V698-I702 WeakPolarHBondContact O-CB 3.24Å; V698-I702 VanDerWaalsContact O-CG1 3.3Å; V698-I702 WeakPolarHBondContact O-CG1 3.38Å; V698-I702 PolarHBondContact O-N 2.81Å; I702-K704 PolarHBondContact O-N 3.14Å; I702-R705 PolarHBondContact O-N 3.43Å; I702-E706 HydrophobicContact CG2-CG 4.12Å; I702-E706 WeakPolarHBondContact CG2-OE1 3.33Å; I702-E706 PolarHBondContact O-N 3.44Å; I702-E706 VanDerWaalsContact O-N 3.08Å
703	N	37	Very low	41.9	Very low	111 Å²	111	110.6 Å²	110.6	59%	0.594	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-22.1	179.9	-57.9	40.6	0	0	0	113.9	H699	H699-N703 VanDerWaalsContact O-CG 3.29Å; H699-N703 PolarHBondContact O-OD1 3.22Å; H699-N703 VanDerWaalsContact O-OD1 3.1Å
704	K	46.6	Very low	40	Very low	160 Å²	160	112.9 Å²	112.9	70%	0.696	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-9.9	175.1	-83.2	-175.2	177.9	-177.3	0	115.2	S700 I702	S700-K704 WeakPolarHBondContact O-CB 3.3Å; S700-K704 WeakPolarHBondContact O-CD 3.38Å; S700-K704 VanDerWaalsContact O-CG 3.24Å; S700-K704 WeakPolarHBondContact O-CG 3.32Å; I702-K704 PolarHBondContact O-N 3.14Å
705	R	45.5	Very low	38.4	Very low	118 Å²	118	115.5 Å²	115.5	45%	0.445	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.4	-19.9	179.4	-69.3	-170.3	-176.6	177	5.8	113.6	D262 I702 S707 C708	D262-R705 IonicContact OD1-NH2 2.72Å; D262-R705 PolarHBondContact OD1-NH2 3.14Å; I702-R705 PolarHBondContact O-N 3.43Å; R705-S707 PolarHBondContact O-N 3.32Å; R705-C708 PolarHBondContact O-N 3.44Å
706	E	40.1	Very low	36.8	Very low	147 Å²	147	113.2 Å²	113.2	69%	0.687	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-20.9	172.9	-71.5	172.9	155.5	0	0	113.5	I702 C708	I702-E706 HydrophobicContact CG2-CG 4.12Å; I702-E706 WeakPolarHBondContact CG2-OE1 3.33Å; I702-E706 PolarHBondContact O-N 3.44Å; I702-E706 VanDerWaalsContact O-N 3.08Å; E706-C708 VanDerWaalsContact C-N 3.29Å
707	S	31.7	Very low	35.8	Very low	104 Å²	104	113 Å²	113	73%	0.727	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-8.3	170.6	55.9	0	0	0	0	114.4	R705	R705-S707 PolarHBondContact O-N 3.32Å
708	C	27.6	Very low	34.5	Very low	88 Å²	88	116.7 Å²	116.7	60%	0.595	62%	0.624	S	S	*	*	S	Bend	trans	-103.9	107.5	175.6	-116.1	0	0	0	0	109.6	R705 E706 T710	R705-C708 PolarHBondContact O-N 3.44Å; E706-C708 VanDerWaalsContact C-N 3.29Å; C708-T710 VanDerWaalsContact C-N 3.3Å; C708-T710 PolarHBondContact O-N 3.41Å
709	K	25.7	Very low	33.7	Very low	213 Å²	213	121 Å²	121	93%	0.926	64%	0.639	S	S	*	*			trans	-63.8	89.3	167.6	-70.1	-175.4	179.1	-178.7	0	109.6	E711	K709-E711 PolarHBondContact O-N 3.29Å
710	T	29.2	Very low	32.8	Very low	131 Å²	131	118.9 Å²	118.9	80%	0.804	64%	0.636	S	S	*	*			trans	-67.9	111.4	168.8	42.2	0	0	0	0	109	C708	C708-T710 VanDerWaalsContact C-N 3.3Å; C708-T710 PolarHBondContact O-N 3.41Å
711	E	27.8	Very low	31.8	Very low	166 Å²	166	121.9 Å²	121.9	78%	0.776	65%	0.648	S	S	*	*			trans	-52	145.8	159.7	-67.8	-171.7	131.8	0	0	109.9	K709 I713	K709-E711 PolarHBondContact O-N 3.29Å; E711-I713 PolarHBondContact O-N 2.84Å
712	P	26	Very low	30.8	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	68%	0.678	S	S	*	*			trans	-67.2	99.3	171.1	29	-32.9	0	0	0	108.5	V714	P712-V714 VanDerWaalsContact C-N 3.26Å; P712-V714 WeakPolarHBondContact O-CG2 3.43Å; P712-V714 PolarHBondContact O-N 2.96Å
713	I	26.2	Very low	30	Very low	152 Å²	152	129.7 Å²	129.7	78%	0.779	69%	0.688	S	S	*	*			trans	-64.9	95.2	166	-62.3	178.6	0	0	0	106.9	E711 L715	E711-I713 PolarHBondContact O-N 2.84Å; I713-L715 PolarHBondContact O-N 3.48Å
714	V	26.5	Very low	29.5	Very low	110 Å²	110	130.6 Å²	130.6	67%	0.667	69%	0.693	S	S	*	*			trans	-69	84	175.8	-176.6	0	0	0	0	108.2	P712	P712-V714 VanDerWaalsContact C-N 3.26Å; P712-V714 WeakPolarHBondContact O-CG2 3.43Å; P712-V714 PolarHBondContact O-N 2.96Å
715	L	25.7	Very low	28.6	Very low	119 Å²	119	130.8 Å²	130.8	62%	0.623	70%	0.702	S	S	*	*			trans	-56	121.8	148.7	-68.2	176	0	0	0	105.9	I713 V717	I713-L715 PolarHBondContact O-N 3.48Å; L715-V717 PolarHBondContact O-N 2.98Å; L715-V717 VanDerWaalsContact O-N 3.14Å
716	P	24.4	Very low	27.7	Very low	97 Å²	97	133 Å²	133	63%	0.63	72%	0.717	S	S	*	*			trans	-61.5	121.7	-165.4	21.9	-33.3	0	0	0	110.6	N718	P716-N718 PolarHBondContact O-N 3.02Å
717	V	27.4	Very low	27.1	Very low	132 Å²	132	134.1 Å²	134.1	80%	0.8	73%	0.727	S	S	*	*			trans	-76.9	33.2	176.6	-163.8	0	0	0	0	110.7	L715 H719	L715-V717 PolarHBondContact O-N 2.98Å; L715-V717 VanDerWaalsContact O-N 3.14Å; V717-H719 PolarHBondContact O-N 3.07Å
718	N	25.4	Very low	26.9	Very low	125 Å²	125	136.7 Å²	136.7	67%	0.668	73%	0.732	S	S	*	*			trans	-101.2	65.9	177.3	-72.5	2.9	0	0	0	109.5	P716	P716-N718 PolarHBondContact O-N 3.02Å
719	H	30.4	Very low	26.9	Very low	168 Å²	168	139.1 Å²	139.1	78%	0.778	74%	0.739	S	S	*	*			trans	-90.4	19.3	158.5	-98	-49.6	0	0	0	113	V717 L721	V717-H719 PolarHBondContact O-N 3.07Å; H719-L721 PolarHBondContact O-N 3.3Å
720	T	25.1	Very low	26.8	Very low	89 Å²	89	138 Å²	138	55%	0.546	74%	0.736	S	S	.	*			trans	-70.4	69.2	145.4	37.3	0	0	0	0	109.9	H722	T720-H722 VanDerWaalsContact C-N 3.31Å; T720-H722 PolarHBondContact O-N 3.11Å
721	L	26.5	Very low	26.6	Very low	108 Å²	108	135.7 Å²	135.7	57%	0.565	73%	0.726	S	S	*	*			trans	-69.4	95.8	159.4	-99.5	171.5	0	0	0	107.1	H719 V723	H719-L721 PolarHBondContact O-N 3.3Å; L721-V723 PolarHBondContact O-N 2.94Å
722	H	25.7	Very low	26.6	Very low	169 Å²	169	134.2 Å²	134.2	78%	0.782	73%	0.727	S	S	*	*			trans	-55	112.5	169.8	-100.4	-101.1	0	0	0	109.2	T720	T720-H722 VanDerWaalsContact C-N 3.31Å; T720-H722 PolarHBondContact O-N 3.11Å
723	V	28.7	Very low	26.6	Very low	103 Å²	103	132.5 Å²	132.5	62%	0.624	72%	0.718	S	S	*	*			trans	-133.8	97.4	167.6	-177.3	0	0	0	0	106.2	L721	L721-V723 PolarHBondContact O-N 2.94Å
724	N	27.1	Very low	26.7	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	55	68.4	160.8	-54.3	6.5	0	0	0	116.6	E726	N724-E726 PolarHBondContact O-N 3.42Å
725	N	27	Very low	26.7	Very low	165 Å²	165	133.4 Å²	133.4	88%	0.882	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.1	-0.7	156.8	-91.2	22.7	0	0	0	121.1
726	E	27.6	Very low	27	Very low	163 Å²	163	131 Å²	131	76%	0.762	72%	0.724	S	S	*	*			trans	-98.4	121.2	175.5	-68	-168	160	0	0	112.8	N724 L728	N724-E726 PolarHBondContact O-N 3.42Å; E726-L728 PolarHBondContact O-N 2.88Å; E726-L728 VanDerWaalsContact O-N 3.13Å
727	L	26.5	Very low	27.1	Very low	172 Å²	172	132.6 Å²	132.6	90%	0.901	73%	0.734	S	S	*	*			trans	-76.2	91.6	175.6	-84.5	158.6	0	0	0	111
728	L	27.6	Very low	27.2	Very low	158 Å²	158	129.8 Å²	129.8	83%	0.827	72%	0.719	S	S	*	*			trans	-87.5	120.4	169.7	-77.2	169.3	0	0	0	111.3	E726	E726-L728 PolarHBondContact O-N 2.88Å; E726-L728 VanDerWaalsContact O-N 3.13Å
729	N	27.7	Very low	27.3	Very low	138 Å²	138	128.8 Å²	128.8	74%	0.738	72%	0.722	S	S	*	*			trans	-58.3	144.6	-163.9	-74.4	-49.1	0	0	0	116.6	S731	N729-S731 VanDerWaalsContact C-N 3.31Å; N729-S731 PolarHBondContact O-N 3.27Å
730	H	24.6	Very low	27.2	Very low	190 Å²	190	128.6 Å²	128.6	88%	0.88	73%	0.725	S	S	*	*	S	Bend	trans	-71.5	71.3	171.1	-78.5	-87.8	0	0	0	112.8
731	S	25.4	Very low	27.5	Very low	83 Å²	83	132.5 Å²	132.5	58%	0.58	73%	0.734	S	S	*	*			trans	-143.2	14.2	179.3	61.2	0	0	0	0	117.1	N729 S733	N729-S731 VanDerWaalsContact C-N 3.31Å; N729-S731 PolarHBondContact O-N 3.27Å; S731-S733 VanDerWaalsContact C-N 3.31Å; S731-S733 PolarHBondContact O-N 2.84Å
732	V	27.2	Very low	27.6	Very low	134 Å²	134	134.6 Å²	134.6	81%	0.812	75%	0.745	S	S	*	*			trans	-81.4	73.2	175.8	-169.2	0	0	0	0	111.9	I734	V732-I734 PolarHBondContact O-N 3.36Å
733	S	26.1	Very low	27.6	Very low	79 Å²	79	133.5 Å²	133.5	55%	0.552	74%	0.744	S	S	*	*			trans	-68.7	127.5	162.6	84.7	0	0	0	0	109.2	S731 N735	S731-S733 VanDerWaalsContact C-N 3.31Å; S731-S733 PolarHBondContact O-N 2.84Å; S733-N735 WeakPolarHBondContact CB-ND2 3.46Å; S733-N735 PolarHBondContact O-N 3.49Å; S733-N735 PolarHBondContact OG-ND2 2.91Å
734	I	28.4	Very low	27.5	Very low	154 Å²	154	133.8 Å²	133.8	79%	0.79	75%	0.751	S	S	*	*			trans	-81.8	54.4	178.2	-46.7	-177.7	0	0	0	109.9	V732	V732-I734 PolarHBondContact O-N 3.36Å
735	N	27.3	Very low	27.5	Very low	127 Å²	127	134.3 Å²	134.3	68%	0.679	76%	0.758	S	S	*	*			trans	-98.6	84.9	175	-75.1	-47.8	0	0	0	109.2	S733 P737	S733-N735 WeakPolarHBondContact CB-ND2 3.46Å; S733-N735 PolarHBondContact O-N 3.49Å; S733-N735 PolarHBondContact OG-ND2 2.91Å; N735-P737 VanDerWaalsContact O-CD 3.27Å; N735-P737 WeakPolarHBondContact O-CD 3.47Å
736	G	31	Very low	27.5	Very low	69 Å²	69	131 Å²	131	71%	0.711	75%	0.748	S	S	*	*			trans	-64.2	116	177.1	0	0	0	0	0	111.8	C738	G736-C738 PolarHBondContact O-N 3.38Å
737	P	26.8	Very low	27.5	Very low	130 Å²	130	130 Å²	130	84%	0.844	75%	0.748	S	S	*	*			trans	-78.1	90.5	-174.9	31.3	-34	0	0	0	110.9	N735	N735-P737 VanDerWaalsContact O-CD 3.27Å; N735-P737 WeakPolarHBondContact O-CD 3.47Å
738	C	29	Very low	27.5	Very low	72 Å²	72	128.3 Å²	128.3	49%	0.486	74%	0.739	S	S	.	*			trans	-136.4	62.9	176.4	-85.7	0	0	0	0	111.3	G736	G736-C738 PolarHBondContact O-N 3.38Å
739	S	28.4	Very low	27.6	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	74%	0.737	S	S	*	*			trans	-158.1	85.5	167.2	-78.9	0	0	0	0	109.8	K741	S739-K741 PolarHBondContact O-N 2.85Å
740	I	27.9	Very low	27.6	Very low	164 Å²	164	127.4 Å²	127.4	84%	0.841	74%	0.739	S	S	*	*			trans	-65.9	102.9	171.1	-61.2	173	0	0	0	107.8	L742	I740-L742 HydrophobicContact CG2-CD1 4.02Å
741	K	30.6	Very low	27.9	Very low	172 Å²	172	124.2 Å²	124.2	75%	0.748	74%	0.735	S	S	*	*			trans	-94.1	117.8	157.6	-71.4	179.6	-179.2	173.7	0	106.8	S739 L743	S739-K741 PolarHBondContact O-N 2.85Å; K741-L743 PolarHBondContact O-N 2.97Å
742	L	28.4	Very low	28.1	Very low	152 Å²	152	130 Å²	130	80%	0.796	75%	0.749	S	S	*	*			trans	-64.7	122.5	154.9	-89.3	73.5	0	0	0	107.3	I740	I740-L742 HydrophobicContact CG2-CD1 4.02Å
743	L	26.8	Very low	28.3	Very low	145 Å²	145	131.7 Å²	131.7	76%	0.759	75%	0.753	S	S	*	*			trans	-108.8	118.4	159.9	-81.8	167.8	0	0	0	106.7	K741 V745	K741-L743 PolarHBondContact O-N 2.97Å; L743-V745 PolarHBondContact O-N 2.7Å
744	S	26.4	Very low	28.5	Very low	109 Å²	109	133.7 Å²	133.7	76%	0.762	76%	0.764	S	S	*	*			trans	-68.4	116.6	171.2	49.2	0	0	0	0	109.1
745	V	26.7	Very low	28.5	Very low	140 Å²	140	131.1 Å²	131.1	85%	0.848	77%	0.766	S	S	*	*			trans	-111.7	107	172.2	-177.9	0	0	0	0	108.5	L743	L743-V745 PolarHBondContact O-N 2.7Å
746	S	26.9	Very low	28.5	Very low	96 Å²	96	131.4 Å²	131.4	67%	0.671	77%	0.772	S	S	*	*			trans	-151.9	101.8	169.9	56.3	0	0	0	0	107.9
747	N	28.3	Very low	28.5	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	77%	0.772	S	S	*	*			trans	177	127	141.1	-88.9	-7	0	0	0	111
748	L	26.8	Very low	28.5	Very low	137 Å²	137	133.1 Å²	133.1	72%	0.717	77%	0.769	S	S	*	*			trans	41.4	142.2	136.2	-68.5	108.5	0	0	0	121.2
749	Q	28.4	Very low	28.3	Very low	167 Å²	167	140.1 Å²	140.1	78%	0.78	79%	0.785	S	S	*	*			cis	-167.2	147.1	-14.6	-162	84.7	-20.7	0	0	107.1
750	S	29.2	Very low	28.4	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	79%	0.786	S	S	*	*			trans	-108.4	150.2	-180	61.6	0	0	0	0	114.1
751	P	31	Very low	28.2	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	78%	0.777	S	S	*	*			trans	-128.4	110.6	152	33.8	-18.9	0	0	0	114.5
752	K	29	Very low	28	Very low	205 Å²	205	139.2 Å²	139.2	89%	0.891	78%	0.778	S	S	*	*			trans	28.2	127.9	143.3	-60.2	178.4	179.4	178.1	0	121.9
753	L	31.4	Very low	27.9	Very low	169 Å²	169	139 Å²	139	89%	0.885	77%	0.773	S	S	*	*			trans	-64.2	165.3	154.6	-75.4	151.3	0	0	0	113
754	P	29.6	Very low	28	Very low	121 Å²	121	138.5 Å²	138.5	79%	0.786	77%	0.77	S	S	*	*				-143.9	152.1	109.3	38.7	-25.8	0	0	0	117.3
755	A	29.1	Very low	28.1	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	77%	0.768	S	S	*	*			trans	52.2	123.3	145.6	0	0	0	0	0	123.8
756	T	27.7	Very low	28.2	Very low	133 Å²	133	141.3 Å²	141.3	82%	0.816	77%	0.767	S	S	*	*			trans	-68.1	170	152.3	48.9	0	0	0	0	112.3
757	P	31	Very low	28.6	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	76%	0.758	S	S	*	*			cis	-153.2	-166.6	32.8	41.9	-17.6	0	0	0	119.2
758	T	26.5	Very low	28.6	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	76%	0.758	S	S	*	*			trans	70.9	100.2	151.8	41	0	0	0	0	123.7
759	R	24.2	Very low	28.7	Very low	220 Å²	220	140.4 Å²	140.4	83%	0.83	76%	0.762	S	S	*	*				28.4	110.4	121.3	-173.1	-175.1	179.1	167.4	1.6	121.6	E761	R759-E761 IonicContact NH2-OE1 3.94Å
760	S	29.7	Very low	28.7	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	76%	0.756	S	S	*	*			trans	-174	130.1	134.8	50.4	0	0	0	0	108.3
761	E	25.3	Very low	28.6	Very low	139 Å²	139	139 Å²	139	65%	0.65	76%	0.759	S	S	*	*				85.1	121.7	61.7	-102	173	-131.7	0	0	114.8	R759	R759-E761 IonicContact NH2-OE1 3.94Å
762	F	26.2	Very low	28.5	Very low	174 Å²	174	137.2 Å²	137.2	76%	0.763	75%	0.754	S	S	*	*			trans	66.8	151.7	170.6	-68.5	-113.8	0	0	0	116.1
763	E	26.9	Very low	28.5	Very low	148 Å²	148	135.3 Å²	135.3	69%	0.692	75%	0.748	S	S	*	*			cis	-157.8	154.8	2.6	-137.1	170.8	169.4	0	0	116.3
764	L	27.3	Very low	28.2	Very low	133 Å²	133	133.1 Å²	133.1	70%	0.696	74%	0.737	S	S	*	*			trans	58.4	159.8	142.7	-108.3	61.3	0	0	0	127.9
765	D	28.9	Very low	28.2	Very low	136 Å²	136	133.8 Å²	133.8	73%	0.727	73%	0.734	S	S	*	*			trans	76.4	80.6	151.8	-61.1	-21	0	0	0	125.1
766	Q	29.1	Very low	28	Very low	173 Å²	173	135.4 Å²	135.4	81%	0.808	73%	0.729	S	S	*	*				9.1	172.7	99.8	-87.9	-159.2	37.2	0	0	121.5
767	P	34.7	Very low	27.9	Very low	75 Å²	75	133.2 Å²	133.2	49%	0.487	72%	0.718	S	S	.	*			cis	-145	-166.3	-30.2	36.6	-15	0	0	0	115.2
768	H	28.4	Very low	27.6	Very low	166 Å²	166	135 Å²	135	77%	0.769	72%	0.717	S	S	*	*			trans	124.1	138.4	140.6	-70.7	-51.9	0	0	0	121.4
769	S	29	Very low	27.7	Very low	114 Å²	114	137 Å²	137	80%	0.797	72%	0.715	S	S	*	*			trans	69.7	151.4	145	67	0	0	0	0	121.8
770	S	28.5	Very low	27.7	Very low	93 Å²	93	131 Å²	131	65%	0.65	71%	0.707	S	S	*	*			cis	-173.2	149.5	-25.7	57.4	0	0	0	0	114.1
771	N	26.9	Very low	27.5	Very low	154 Å²	154	132.7 Å²	132.7	82%	0.824	70%	0.703	S	S	*	*			trans	71.2	148.3	142.4	-67.1	-12	0	0	0	124.5
772	A	30.2	Very low	27.7	Very low	85 Å²	85	134.8 Å²	134.8	70%	0.702	71%	0.706	S	S	*	*			trans	80.9	144.5	144.6	0	0	0	0	0	120.7
773	Q	28.5	Very low	27.7	Very low	165 Å²	165	130.5 Å²	130.5	77%	0.771	70%	0.698	S	S	*	*			cis	-165.9	154.6	-14.8	-116.5	-175.8	-30	0	0	113.1
774	L	25.5	Very low	27.9	Very low	124 Å²	124	130.2 Å²	130.2	65%	0.649	70%	0.696	S	S	*	*			trans	68.9	139.7	142.1	-71.1	166.8	0	0	0	124.2
775	N	28.5	Very low	27.9	Very low	135 Å²	135	129.7 Å²	129.7	72%	0.722	69%	0.69	S	S	*	*			trans	75.4	147	142.9	-68.3	-9	0	0	0	121.8
776	N	26	Very low	27.9	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	69%	0.691	S	S	*	*			cis	-170.7	161.6	-32.3	-138	15.5	0	0	0	110.8
777	C	24.7	Very low	27.9	Very low	88 Å²	88	129.7 Å²	129.7	60%	0.595	69%	0.685	S	S	*	*			trans	66.3	151.9	155.5	-64	0	0	0	0	118.1
778	E	25.6	Very low	27.8	Very low	146 Å²	146	133.7 Å²	133.7	68%	0.682	70%	0.696	S	S	*	*			cis	-167.8	172.2	-9.6	-121.7	161.4	-155.1	0	0	113
779	F	26.8	Very low	27.7	Very low	168 Å²	168	131.6 Å²	131.6	74%	0.737	70%	0.696	S	S	*	*			trans	55.1	114.8	163.4	-67.8	-65.1	0	0	0	119
780	S	25.9	Very low	28	Very low	93 Å²	93	131.6 Å²	131.6	65%	0.65	69%	0.693	S	S	*	*				91	161.9	64.6	84.3	0	0	0	0	113
781	E	25.3	Very low	28	Very low	144 Å²	144	135.8 Å²	135.8	67%	0.673	70%	0.702	S	S	*	*			cis	-161.9	178.4	4.9	-149.2	166.6	-164.9	0	0	111.3
782	Y	29.5	Very low	28	Very low	184 Å²	184	134.2 Å²	134.2	72%	0.722	70%	0.698	S	S	*	*			trans	66.6	123.4	173.6	-66.4	-81.3	0	0	0	116.8
783	S	26.5	Very low	28.1	Very low	84 Å²	84	136.8 Å²	136.8	59%	0.587	70%	0.7	S	S	*	*				88	147.5	52.9	-73.5	0	0	0	0	112.6
784	E	29.8	Very low	28.1	Very low	141 Å²	141	133.1 Å²	133.1	66%	0.659	69%	0.693	S	S	*	*			cis	-163.5	151.5	1.7	-118.7	153.2	-131.9	0	0	110.8
785	E	27.7	Very low	28.5	Very low	123 Å²	123	135.6 Å²	135.6	58%	0.575	70%	0.698	S	S	*	*			trans	57.7	176.9	142.8	-72.6	-169.5	139.9	0	0	120.3
786	R	29	Very low	28.5	Very low	199 Å²	199	133.8 Å²	133.8	75%	0.751	70%	0.696	S	S	*	*			cis	-152.3	176.3	-12.3	-123.8	166.2	-159.6	162	22.2	107.9
787	V	28.9	Very low	28.7	Very low	110 Å²	110	138.2 Å²	138.2	67%	0.667	70%	0.703	S	S	*	*				-152	174.5	-78.8	74.8	0	0	0	0	108.9
788	H	31.9	Very low	28.8	Very low	158 Å²	158	139.4 Å²	139.4	73%	0.731	71%	0.708	S	S	*	*			trans	73.7	131.6	176.7	-63.5	-44.4	0	0	0	116.9
789	T	27.5	Very low	29	Very low	123 Å²	123	139 Å²	139	76%	0.755	71%	0.71	S	S	*	*			cis	99.9	145.3	31.4	63	0	0	0	0	114.8
790	P	34.9	Very low	29.1	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	71%	0.709	S	S	*	*			trans	-114.5	171.7	-154.2	42.1	-33.2	0	0	0	114.9
791	Q	28.9	Very low	29.2	Very low	181 Å²	181	140 Å²	140	85%	0.846	71%	0.713	S	S	*	*				-176.9	161.7	126.2	-104.1	176.1	-1.1	0	0	115.5
792	T	26.7	Very low	29.3	Very low	121 Å²	121	138.1 Å²	138.1	74%	0.742	72%	0.716	S	S	*	*			trans	-10.5	145.4	161.4	56.3	0	0	0	0	121
793	D	31.8	Very low	29.4	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	72%	0.718	S	S	*	*				-158	177.7	100.1	-151.2	-5.2	0	0	0	112.8	K795	D793-K795 IonicContact OD2-NZ 2.66Å
794	S	29.2	Very low	29.4	Very low	88 Å²	88	140.6 Å²	140.6	62%	0.615	72%	0.722	S	S	*	*			trans	-137	148	-167.9	64.2	0	0	0	0	113.2
795	K	33.4	Very low	29.2	Very low	175 Å²	175	139.6 Å²	139.6	76%	0.761	72%	0.721	S	S	*	*			trans	164.5	169.9	155.7	-87.6	138.5	-149.7	142	0	109.2	D793	D793-K795 IonicContact OD2-NZ 2.66Å
796	S	28.4	Very low	29.1	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	72%	0.724	S	S	*	*				-177.6	165.7	-60.1	56.2	0	0	0	0	108.6
797	R	29.3	Very low	29.1	Very low	227 Å²	227	139.4 Å²	139.4	86%	0.857	73%	0.725	S	S	*	*			trans	69.2	118.9	172.6	-71.2	-175.7	154.5	156.6	-5.6	116.5
798	T	28.7	Very low	29	Very low	112 Å²	112	138 Å²	138	69%	0.687	72%	0.72	S	S	*	*				71.9	118.9	61.6	66.3	0	0	0	0	115.6
799	N	29.6	Very low	28.8	Very low	138 Å²	138	138 Å²	138	74%	0.738	73%	0.725	S	S	*	*				-177.2	156.1	104	-109.6	-5.3	0	0	0	116.9
800	M	29.3	Very low	29	Very low	143 Å²	143	135.6 Å²	135.6	70%	0.704	72%	0.724	S	S	*	*			trans	52.5	116.5	148.6	-59.8	-55.6	180	0	0	122.8
801	D	27	Very low	28.7	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	72%	0.724	S	S	*	*				28.9	133.9	111.2	-58.9	-8.6	0	0	0	120
802	S	28.2	Very low	28.8	Very low	104 Å²	104	136.8 Å²	136.8	73%	0.727	72%	0.724	S	S	*	*				177.3	153.8	91.6	49.2	0	0	0	0	113.9
803	H	30.5	Very low	28.8	Very low	163 Å²	163	137 Å²	137	76%	0.755	72%	0.72	S	S	*	*			trans	46.6	147.8	142.6	-76.8	-153	0	0	0	121
804	K	25.8	Very low	28.6	Very low	157 Å²	157	137.9 Å²	137.9	68%	0.683	72%	0.724	S	S	*	*			cis	162.3	165.5	-12.8	-135.3	177.8	178.5	172.3	0	105.1
805	N	26	Very low	28.6	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	73%	0.727	S	S	*	*			trans	76.7	144.4	145.2	-77.3	8.9	0	0	0	122.1
806	I	26.5	Very low	28.4	Very low	125 Å²	125	135.6 Å²	135.6	64%	0.641	73%	0.726	S	S	*	*			trans	78.1	134.6	138	-77.9	169.2	0	0	0	116.3
807	Y	27.8	Very low	28.4	Very low	193 Å²	193	136.8 Å²	136.8	76%	0.757	73%	0.729	S	S	*	*			cis	-152.6	148.7	12.7	-125.9	-16.7	0	0	0	113.7
808	S	28	Very low	28.4	Very low	81 Å²	81	130.5 Å²	130.5	57%	0.566	72%	0.72	S	S	*	*				42.3	157.2	128.6	70.9	0	0	0	0	123.2
809	N	27.5	Very low	28.3	Very low	158 Å²	158	131.5 Å²	131.5	85%	0.845	72%	0.722	S	S	*	*			cis	-169.2	173.5	-7.9	-105.5	-5.9	0	0	0	110.4
810	G	31.8	Very low	28.3	Very low	71 Å²	71	131.7 Å²	131.7	73%	0.732	72%	0.718	S	S	*	*			trans	110.1	84.3	165.8	0	0	0	0	0	114.1
811	H	28.4	Very low	28.2	Very low	161 Å²	161	132 Å²	132	75%	0.745	72%	0.722	S	S	*	*			cis	74.4	102.7	39.3	-112.5	-68	0	0	0	115.5
812	L	30	Very low	28.2	Very low	160 Å²	160	129.5 Å²	129.5	84%	0.838	72%	0.715	S	S	*	*			trans	-174.6	108.7	147.6	-93.5	158.9	0	0	0	105
813	L	27.2	Very low	28.3	Very low	124 Å²	124	130 Å²	130	65%	0.649	71%	0.714	S	S	*	*				67	131.5	68.5	-62.4	-179.3	0	0	0	111.9
814	L	27.8	Very low	28.1	Very low	158 Å²	158	133.4 Å²	133.4	83%	0.827	72%	0.72	S	S	*	*			cis	-146.6	177.9	11.8	-99.2	139.6	0	0	0	111.3
815	P	29.3	Very low	28.2	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	73%	0.725	S	S	*	*			trans	-114.2	-175	-162	44.4	-38.5	0	0	0	115.3
816	C	28.5	Very low	28.5	Very low	110 Å²	110	129.9 Å²	129.9	74%	0.743	73%	0.73	S	S	*	*			trans	-175.3	120.5	135.1	-105.9	0	0	0	0	110.4
817	T	28.2	Very low	28.5	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	73%	0.733	S	S	*	*				55.3	129.8	99.8	62.3	0	0	0	0	115.1
818	S	30.3	Very low	28.6	Very low	95 Å²	95	128.1 Å²	128.1	66%	0.664	74%	0.735	S	S	*	*			cis	-172.6	162.5	8.7	48.2	0	0	0	0	112.3
819	N	27.4	Very low	28.4	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	74%	0.74	S	S	*	*			trans	58.8	134.9	137.2	-77.4	48.3	0	0	0	120.5
820	E	28	Very low	28.5	Very low	142 Å²	142	128.7 Å²	128.7	66%	0.664	73%	0.734	S	S	*	*			cis	-150.3	175.3	6	-59.1	-153.7	146.2	0	0	114
821	L	28.5	Very low	28.3	Very low	149 Å²	149	131.4 Å²	131.4	78%	0.78	73%	0.731	S	S	*	*			trans	55.4	132.7	146.4	-71.5	159.4	0	0	0	119.8
822	S	26.9	Very low	28.3	Very low	87 Å²	87	129.9 Å²	129.9	61%	0.608	73%	0.728	S	S	*	*			cis	-156.7	157.9	-6.3	-161.5	0	0	0	0	111.6
823	T	29.2	Very low	28.1	Very low	114 Å²	114	128.7 Å²	128.7	70%	0.699	72%	0.723	S	S	*	*			trans	32.3	107.3	162.6	50.1	0	0	0	0	118.1
824	R	27.2	Very low	28.2	Very low	236 Å²	236	132.9 Å²	132.9	89%	0.891	73%	0.731	S	S	*	*				52.3	136.9	75.9	-64.6	-176.6	166.3	-177.3	-4	112.8
825	S	28.9	Very low	28.2	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	73%	0.727	S	S	*	*			cis	-168.1	171.1	17.7	14.3	0	0	0	0	108.2
826	A	30.5	Very low	27.9	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	74%	0.737	S	S	*	*			cis	-179.2	164	-13.9	0	0	0	0	0	105.2
827	S	28	Very low	27.9	Very low	101 Å²	101	131.9 Å²	131.9	71%	0.706	74%	0.74	S	S	*	*			cis	-170.4	177.9	-17.2	52.1	0	0	0	0	106.2
828	F	28.2	Very low	27.7	Very low	179 Å²	179	134.4 Å²	134.4	79%	0.785	74%	0.744	S	S	*	*			cis	-150.9	162	6.5	-138.9	-68.4	0	0	0	107.4
829	S	25.8	Very low	27.5	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	75%	0.749	S	S	*	*			trans	-132	133.5	162.6	55.6	0	0	0	0	109.2
830	H	29.4	Very low	27.5	Very low	154 Å²	154	136.2 Å²	136.2	71%	0.713	75%	0.75	S	S	*	*			trans	-112	122	166.3	-126.1	-94	0	0	0	109.1	D832	H830-D832 IonicContact CE1-OD2 2.74Å; H830-D832 PolarHBondContact CE1-OD2 3.45Å; H830-D832 IonicContact ND1-OD2 3.87Å; H830-D832 PolarHBondContact ND1-OD2 3.26Å
831	L	26.1	Very low	27.3	Very low	128 Å²	128	133.9 Å²	133.9	67%	0.67	75%	0.749	S	S	*	*			trans	-79.2	159.8	148.9	-68.4	90	0	0	0	107.2
832	D	29.2	Very low	27.6	Very low	129 Å²	129	132.9 Å²	132.9	69%	0.69	75%	0.752	S	S	*	*			trans	-144.9	137.2	139.1	-89.9	-60.2	0	0	0	109.5	H830	H830-D832 IonicContact CE1-OD2 2.74Å; H830-D832 PolarHBondContact CE1-OD2 3.45Å; H830-D832 IonicContact ND1-OD2 3.87Å; H830-D832 PolarHBondContact ND1-OD2 3.26Å
833	N	25.3	Very low	27.7	Very low	136 Å²	136	135.7 Å²	135.7	73%	0.727	76%	0.759	S	S	*	*			trans	-109.7	103.8	-179.9	-78.8	-33.9	0	0	0	109.5
834	Y	29.5	Very low	27.5	Very low	212 Å²	212	138.8 Å²	138.8	83%	0.831	77%	0.765	S	S	*	*			trans	-154.5	156.1	163.4	-80.1	-83.3	0	0	0	108.7
835	S	27.9	Very low	27.5	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	77%	0.768	S	S	*	*			cis	-173.9	162.7	-35	-101.3	0	0	0	0	106.7
836	V	24.2	Very low	27.3	Very low	148 Å²	148	134 Å²	134	90%	0.897	77%	0.766	S	S	*	*			trans	-79.7	125.6	-174.8	178.6	0	0	0	0	112.4
837	A	27.4	Very low	27.4	Very low	98 Å²	98	135 Å²	135	81%	0.81	77%	0.768	S	S	*	*			trans	-157.1	156	159.1	0	0	0	0	0	112
838	H	24.6	Very low	27.4	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.815	77%	0.769	S	S	*	*			trans	-102.8	176.9	-171.6	-109.2	-88.5	0	0	0	113.1
839	I	25.4	Very low	27.4	Very low	153 Å²	153	138 Å²	138	79%	0.785	77%	0.769	S	S	*	*			trans	78.9	139.1	153.7	-73.5	148.7	0	0	0	117.5
840	P	28.5	Very low	27.5	Very low	114 Å²	114	138.4 Å²	138.4	74%	0.74	76%	0.763	S	S	*	*			cis	-133.6	-168.4	-26	38.3	-18.8	0	0	0	113.9
841	S	23.6	Very low	27.6	Very low	92 Å²	92	137.7 Å²	137.7	64%	0.643	76%	0.763	S	S	*	*			trans	-77.9	153	167.8	52.2	0	0	0	0	113.8
842	P	33.1	Very low	27.7	Very low	129 Å²	129	138.1 Å²	138.1	84%	0.838	77%	0.765	S	S	*	*			trans	-72.8	158.6	162.6	32.9	-34.2	0	0	0	111.7
843	I	29.2	Very low	27.7	Very low	145 Å²	145	138.3 Å²	138.3	74%	0.744	77%	0.767	S	S	*	*			trans	-115	153.6	-172.3	-77.3	173.4	0	0	0	111.4
844	E	24.9	Very low	27.9	Very low	180 Å²	180	136.5 Å²	136.5	84%	0.841	76%	0.764	S	S	*	*			trans	-2.6	146.5	164.6	-57.7	168.7	130.7	0	0	121.1
845	C	27.9	Very low	27.8	Very low	141 Å²	141	131.6 Å²	131.6	95%	0.953	76%	0.761	S	S	*	*			trans	-148.5	155.5	131.2	-136.6	0	0	0	0	109.8
846	S	25.2	Very low	28	Very low	106 Å²	106	132.4 Å²	132.4	74%	0.741	76%	0.761	S	S	*	*			trans	-144.6	143.2	-155.9	-177.4	0	0	0	0	116
847	S	32.9	Very low	28.4	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	75%	0.751	S	S	*	*			trans	-170.8	101.4	158.6	55	0	0	0	0	109
848	R	26.9	Very low	28.5	Very low	197 Å²	197	132.5 Å²	132.5	74%	0.743	74%	0.743	S	S	*	*				54.1	109.5	81	-68.6	-161.6	69.4	172.4	-0	115.5	D850	R848-D850 IonicContact NH2-OD1 2.76Å
849	L	29.6	Very low	28.8	Very low	148 Å²	148	131 Å²	131	78%	0.775	74%	0.741	S	S	*	*				-165.2	126.4	105.9	-110.2	80.1	0	0	0	105.8
850	D	27.8	Very low	29.1	Very low	104 Å²	104	130 Å²	130	56%	0.556	74%	0.738	S	S	*	*				73.1	136	85.7	-62.6	5.9	0	0	0	111.4	R848	R848-D850 IonicContact NH2-OD1 2.76Å
851	I	31.1	Very low	29.3	Very low	139 Å²	139	131.4 Å²	131.4	71%	0.713	74%	0.737	S	S	*	*			cis	-158.7	152	19	-127	157.6	0	0	0	111.6
852	L	28.3	Very low	29.6	Very low	137 Å²	137	134.1 Å²	134.1	72%	0.717	75%	0.745	S	S	*	*			trans	22	154.1	146.8	-51	172.1	0	0	0	122
853	N	28.3	Very low	29.5	Very low	134 Å²	134	133.3 Å²	133.3	72%	0.717	73%	0.733	S	S	*	*			cis	-164.9	170.4	7	-129.6	-10.4	0	0	0	115
854	S	30	Very low	29.5	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	74%	0.735	S	S	*	*			trans	63	133.2	156.9	52.4	0	0	0	0	120.9
855	S	27.6	Very low	29.7	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	73%	0.73	S	S	*	*			cis	93.9	162.2	17.6	85.4	0	0	0	0	117
856	V	32.1	Very low	29.6	Very low	122 Å²	122	137.1 Å²	137.1	74%	0.739	73%	0.726	S	S	*	*			trans	89.6	93.3	-171.6	-172.8	0	0	0	0	112
857	N	31.8	Very low	29.6	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	73%	0.731	S	S	*	*				76.9	155.8	77.1	-66.2	31.9	0	0	0	112.7
858	D	29.6	Very low	29.3	Very low	120 Å²	120	136.3 Å²	136.3	64%	0.642	73%	0.725	S	S	*	*			cis	-171.6	159.5	-29.8	-89.9	-32.9	0	0	0	106.4
859	D	30.1	Very low	29.4	Very low	145 Å²	145	134 Å²	134	78%	0.775	73%	0.727	S	S	*	*			trans	56.1	156.7	155.6	-62.6	-13.6	0	0	0	119.1
860	N	32.2	Very low	29.2	Very low	132 Å²	132	134.4 Å²	134.4	71%	0.706	73%	0.729	S	S	*	*			cis	-167.2	177.2	15.8	-140.1	-39.4	0	0	0	111.8
861	I	33.3	Very low	29.3	Very low	142 Å²	142	135 Å²	135	73%	0.728	74%	0.738	S	S	*	*			trans	69.1	87.8	153.9	-59.4	154.8	0	0	0	119.2
862	D	30.4	Very low	29.1	Very low	150 Å²	150	132.5 Å²	132.5	80%	0.802	73%	0.733	S	S	*	*				47.4	129.7	106.9	-91.7	-21.8	0	0	0	125.3
863	D	30.1	Very low	29	Very low	111 Å²	111	135.2 Å²	135.2	59%	0.594	74%	0.735	S	S	*	*			trans	82.4	126.1	131.8	-122.8	-2.9	0	0	0	125.1
864	R	29.3	Very low	29.1	Very low	206 Å²	206	135.1 Å²	135.1	78%	0.777	74%	0.735	S	S	*	*			trans	93.4	127.9	144.3	-83.3	164.3	-139.8	-150.9	8.5	126.1
865	C	28.8	Very low	28.9	Very low	109 Å²	109	135.2 Å²	135.2	74%	0.736	73%	0.734	S	S	*	*			trans	81.4	78.5	137.7	-71.3	0	0	0	0	122.3
866	R	25.4	Very low	28.8	Very low	231 Å²	231	138.5 Å²	138.5	87%	0.872	74%	0.743	S	S	*	*				39.1	129.1	118	-70.9	-176.1	171.2	174.9	-0.9	121
867	S	26.4	Very low	28.5	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	75%	0.745	S	S	*	*			trans	67.6	136.8	147	61.5	0	0	0	0	117.8
868	A	26.1	Very low	28.2	Very low	79 Å²	79	142.9 Å²	142.9	65%	0.653	75%	0.754	S	S	*	*			cis	-151.3	-180	15.5	0	0	0	0	0	113.2
869	N	28.7	Very low	28	Very low	148 Å²	148	141.8 Å²	141.8	79%	0.791	76%	0.756	S	S	*	*			trans	73	107.9	162.9	-54.7	-24.3	0	0	0	119.8
870	I	25.7	Very low	27.8	Very low	157 Å²	157	142.6 Å²	142.6	81%	0.805	76%	0.76	S	S	*	*				21.2	129.7	112.9	-63	171.8	0	0	0	115.4
871	P	30	Very low	27.6	Very low	117 Å²	117	144 Å²	144	76%	0.76	77%	0.768	S	S	*	*			cis	-143.2	-179.1	47.6	26.3	-0.3	0	0	0	120.1
872	S	26.6	Very low	27.2	Very low	87 Å²	87	147.4 Å²	147.4	61%	0.608	77%	0.772	S	S	*	*			trans	-29.5	-177.1	171.8	57.6	0	0	0	0	124.8
873	Y	26.7	Very low	27	Very low	193 Å²	193	147.5 Å²	147.5	76%	0.757	77%	0.772	S	S	*	*			trans	93.4	140.8	170.4	-58.9	-70.5	0	0	0	115.3
874	D	31.3	Very low	26.9	Very low	133 Å²	133	147.5 Å²	147.5	71%	0.711	78%	0.781	S	S	*	*			cis	-132.7	141.1	-3.3	-96.5	-49.5	0	0	0	109.2
875	C	25.4	Very low	26.7	Very low	98 Å²	98	142.9 Å²	142.9	66%	0.662	77%	0.772	S	S	*	*				79.3	110.8	60.8	-60.7	0	0	0	0	115.5
876	L	25.9	Very low	26.6	Very low	179 Å²	179	143.6 Å²	143.6	94%	0.937	78%	0.778	S	S	*	*			trans	-141.6	118.5	138.5	-110.8	174.5	0	0	0	107.7
877	Q	24.3	Very low	26.7	Very low	169 Å²	169	140.7 Å²	140.7	79%	0.79	77%	0.772	S	S	*	*			trans	-91.6	141.8	175.7	-66.5	-179.8	-62.8	0	0	110.1
878	I	26.2	Very low	26.8	Very low	173 Å²	173	140 Å²	140	89%	0.887	76%	0.759	S	S	*	*			trans	-128.5	132.1	146.1	-63.4	-177.2	0	0	0	106.6
879	S	24.8	Very low	26.7	Very low	98 Å²	98	143.1 Å²	143.1	69%	0.685	77%	0.774	S	S	*	*			trans	-81.6	177.9	-167.1	-52.1	0	0	0	0	113.7
880	D	26.3	Very low	26.6	Very low	161 Å²	161	141.1 Å²	141.1	86%	0.861	76%	0.763	S	S	*	*			trans	-50.4	139.1	177.3	-61.2	-99.5	0	0	0	114.6
881	D	27.8	Very low	26.7	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	77%	0.766	S	S	*	*			trans	-145.1	162.2	134.4	-148.3	-15.1	0	0	0	111.6
882	R	25.9	Very low	26.4	Very low	215 Å²	215	143.2 Å²	143.2	81%	0.811	76%	0.764	S	S	*	*			trans	-99.5	150.8	-168.6	-62.7	175.4	175.7	176	0.2	111.8
883	N	25.3	Very low	26.3	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	78%	0.779	S	S	*	*			trans	85.4	86.1	167.9	-52.4	-58.4	0	0	0	119.6
884	S	27.3	Very low	26.2	Very low	111 Å²	111	143 Å²	143	78%	0.776	77%	0.77	S	S	*	*			trans	-158.6	118.9	138.2	48.4	0	0	0	0	110.1
885	N	26.6	Very low	25.9	Very low	109 Å²	109	141.9 Å²	141.9	58%	0.583	77%	0.773	S	S	*	*				61	57.1	86.2	-80.6	-4.1	0	0	0	115.5	K657 F887	K657-N885 WeakPolarHBondContact CE-OD1 3.4Å; K657-N885 PolarHBondContact NZ-OD1 2.81Å; N885-F887 PolarHBondContact O-N 2.83Å
886	S	26.8	Very low	26	Very low	124 Å²	124	143.7 Å²	143.7	87%	0.867	78%	0.781	S	S	*	*			trans	-71.6	72.4	165.1	68.1	0	0	0	0	112.5
887	F	26.5	Very low	26	Very low	169 Å²	169	142.1 Å²	142.1	74%	0.741	77%	0.77	S	S	*	*			trans	-109.6	160	165.4	-94.6	-92.9	0	0	0	110.6	N885	N885-F887 PolarHBondContact O-N 2.83Å
888	D	28	Very low	26.5	Very low	107 Å²	107	140.3 Å²	140.3	57%	0.572	77%	0.77	S	S	*	*			trans	50.3	87.6	168	-63.4	-11.2	0	0	0	119.6	L890	D888-L890 HydrophobicContact CB-CB 4.43Å; D888-L890 HydrophobicContact CB-CD1 4.15Å; D888-L890 HydrophobicContact CB-CG 4.08Å; D888-L890 PolarHBondContact O-N 3.14Å; D888-L890 VanDerWaalsContact O-N 3.09Å
889	C	25.3	Very low	26.5	Very low	144 Å²	144	137.7 Å²	137.7	97%	0.973	76%	0.758	S	S	*	*			trans	-73.8	77.8	135.4	-60.3	0	0	0	0	109.1
890	L	26.2	Very low	26.8	Very low	107 Å²	107	141 Å²	141	56%	0.56	77%	0.766	S	S	*	*			trans	-89.1	125.4	159.4	-83	168.6	0	0	0	108.1	D888 R892	D888-L890 HydrophobicContact CB-CB 4.43Å; D888-L890 HydrophobicContact CB-CD1 4.15Å; D888-L890 HydrophobicContact CB-CG 4.08Å; D888-L890 PolarHBondContact O-N 3.14Å; D888-L890 VanDerWaalsContact O-N 3.09Å; L890-R892 HydrophobicContact CB-CG 4.35Å; L890-R892 PolarHBondContact O-N 2.88Å
891	C	26.8	Very low	26.8	Very low	130 Å²	130	142 Å²	142	88%	0.878	77%	0.765	S	S	*	*			trans	-73.4	74.6	157.8	-64.4	0	0	0	0	108.3	I893	C891-I893 PolarHBondContact O-N 2.95Å
892	R	24.6	Very low	26.8	Very low	188 Å²	188	139.1 Å²	139.1	71%	0.709	76%	0.757	S	S	*	*			trans	-69.6	115.8	159.7	-85.8	-179.5	171	176.5	-2.2	107.1	L890 T894	L890-R892 HydrophobicContact CB-CG 4.35Å; L890-R892 PolarHBondContact O-N 2.88Å; R892-T894 VanDerWaalsContact C-N 3.33Å; R892-T894 HydrophobicContact CB-CG2 4.05Å; R892-T894 HydrophobicContact CG-CG2 4.19Å; R892-T894 PolarHBondContact O-N 3.5Å
893	I	24.7	Very low	26.8	Very low	179 Å²	179	132.8 Å²	132.8	92%	0.918	75%	0.746	S	S	*	*			trans	-79.2	98.2	146.7	-62	175	0	0	0	104.2	C891	C891-I893 PolarHBondContact O-N 2.95Å
894	T	24.4	Very low	26.8	Very low	95 Å²	95	134.9 Å²	134.9	58%	0.583	75%	0.748	S	S	*	*			trans	-118.5	150.4	168.9	34	0	0	0	0	108.2	R892 T896	R892-T894 VanDerWaalsContact C-N 3.33Å; R892-T894 HydrophobicContact CB-CG2 4.05Å; R892-T894 HydrophobicContact CG-CG2 4.19Å; R892-T894 PolarHBondContact O-N 3.5Å; T894-T896 PolarHBondContact O-N 2.84Å
895	S	25.7	Very low	26.8	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	75%	0.747	S	S	*	*			trans	-49.1	135	-166.3	-160.8	0	0	0	0	114	Q897	S895-Q897 PolarHBondContact O-N 3.26Å
896	T	25.9	Very low	26.7	Very low	136 Å²	136	137.3 Å²	137.3	83%	0.834	75%	0.752	S	S	*	*			trans	-77.7	104.2	156.8	48	0	0	0	0	108.1	T894	T894-T896 PolarHBondContact O-N 2.84Å
897	Q	27.4	Very low	26.7	Very low	147 Å²	147	137.6 Å²	137.6	69%	0.687	74%	0.743	S	S	*	*			trans	-115.3	131.5	161.3	-175.9	163.8	-21.2	0	0	108.2	S895 D899	S895-Q897 PolarHBondContact O-N 3.26Å; Q897-D899 PolarHBondContact NE2-OD1 3.2Å
898	T	33.6	Very low	26.9	Very low	130 Å²	130	136.4 Å²	136.4	80%	0.798	75%	0.745	S	S	*	*			trans	-139.9	107.5	176.5	49	0	0	0	0	106.6
899	D	26.6	Very low	27.1	Very low	118 Å²	118	137.8 Å²	137.8	63%	0.631	75%	0.752	S	S	*	*			trans	-78.3	138.4	-175.5	-48.3	-73.5	0	0	0	111.1	Q897	Q897-D899 PolarHBondContact NE2-OD1 3.2Å
900	I	31.5	Very low	27.8	Very low	169 Å²	169	136.3 Å²	136.3	87%	0.867	74%	0.741	S	S	*	*			trans	-128.9	128.5	154.3	-63.5	-176.6	0	0	0	105.9
901	H	25.9	Very low	28.1	Very low	182 Å²	182	135.5 Å²	135.5	84%	0.843	75%	0.749	S	S	*	*			trans	-115.2	96.7	-153.4	-168.7	-73.4	0	0	0	112.6
902	S	28.6	Very low	28.3	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	74%	0.744	S	S	*	*			trans	-171.9	139.5	167.3	55.3	0	0	0	0	111.4
903	S	24.6	Very low	28.5	Very low	83 Å²	83	134.5 Å²	134.5	58%	0.58	75%	0.748	S	S	*	*			cis	174.6	150.7	-25.4	40.1	0	0	0	0	107.2
904	F	26.4	Very low	28.8	Very low	195 Å²	195	131.4 Å²	131.4	86%	0.855	74%	0.742	S	S	*	*			trans	71.4	122.5	177.1	-50.7	-75.6	0	0	0	115.6
905	N	26	Very low	28.8	Very low	141 Å²	141	132.1 Å²	132.1	75%	0.754	75%	0.746	S	S	*	*			cis	109.9	151.1	7.1	-162.9	24.8	0	0	0	114.8
906	I	25.5	Very low	28.9	Very low	131 Å²	131	138.1 Å²	138.1	67%	0.672	75%	0.753	S	S	*	*			trans	86.6	106.5	168.7	-47.6	-176.3	0	0	0	117.8
907	N	26	Very low	28.8	Very low	129 Å²	129	136.1 Å²	136.1	69%	0.69	74%	0.741	S	S	*	*			trans	8.3	143	140.8	-51.2	-12.4	0	0	0	120.8
908	D	31.3	Very low	28.7	Very low	145 Å²	145	140.2 Å²	140.2	78%	0.775	75%	0.752	S	S	*	*				-161.8	130.4	96.7	-105.6	-28.2	0	0	0	117.5
909	N	32.6	Very low	28.3	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	75%	0.751	S	S	*	*			trans	-12.4	177.2	145.9	-75.4	-44	0	0	0	121.7
910	P	40.1	Very low	28.3	Very low	114 Å²	114	142 Å²	142	74%	0.74	76%	0.76	S	S	*	*			cis	-142.9	179.3	-46.9	42	-25.2	0	0	0	113.5
911	A	31.7	Very low	28.1	Very low	89 Å²	89	141.6 Å²	141.6	74%	0.736	76%	0.759	S	S	*	*			trans	159.2	148.7	152	0	0	0	0	0	111.4
912	I	31.7	Very low	28.4	Very low	148 Å²	148	137.6 Å²	137.6	76%	0.759	75%	0.75	S	S	*	*			cis	-151.8	147.1	-11.2	-105.4	162.3	0	0	0	107.3
913	D	28.6	Very low	28.2	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	75%	0.754	S	S	*	*			trans	8.3	155.2	155.9	-45.3	-36.2	0	0	0	122.1
914	S	31.3	Very low	28.3	Very low	115 Å²	115	144.2 Å²	144.2	80%	0.804	76%	0.763	S	S	*	*			cis	-148.9	159.8	23.5	61.5	0	0	0	0	115.3
915	V	24.5	Very low	28.3	Very low	109 Å²	109	143.3 Å²	143.3	66%	0.661	76%	0.759	S	S	*	*			trans	-94.2	152.7	-179.6	171.6	0	0	0	0	112.1	T917	V915-T917 HydrophobicContact CG1-CG2 4.22Å
916	Y	27.6	Very low	28.4	Very low	236 Å²	236	142.4 Å²	142.4	93%	0.925	76%	0.76	S	S	*	*			trans	-156.6	147.6	135.7	-96.4	-61.7	0	0	0	111.6
917	T	23.4	Very low	28.6	Very low	95 Å²	95	141.7 Å²	141.7	58%	0.583	77%	0.767	S	S	*	*			trans	-148.9	158.7	-165.6	46.7	0	0	0	0	112.2	V915	V915-T917 HydrophobicContact CG1-CG2 4.22Å
918	Y	25.3	Very low	28.5	Very low	233 Å²	233	140.7 Å²	140.7	91%	0.914	77%	0.765	S	S	*	*			trans	67.6	161.7	176	-56.5	-77	0	0	0	115.1
919	S	25.3	Very low	28.4	Very low	110 Å²	110	140.3 Å²	140.3	77%	0.769	76%	0.763	S	S	*	*			cis	-137.7	-178.1	4.9	72.1	0	0	0	0	113.3
920	E	25.9	Very low	28.3	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	77%	0.772	S	S	*	*			trans	-68.6	156.8	175.3	-52.5	168.1	126.4	0	0	113.7
921	N	27.1	Very low	27.6	Very low	160 Å²	160	141.9 Å²	141.9	86%	0.856	77%	0.77	S	S	*	*			trans	-163.8	146.1	137	-114	-48.4	0	0	0	111.4
922	P	32.3	Very low	27.1	Very low	98 Å²	98	143.2 Å²	143.2	64%	0.636	77%	0.772	S	S	*	*			trans	-96	174.5	179.1	38	-32.5	0	0	0	112.1
923	N	25.2	Very low	26.9	Very low	146 Å²	146	145.9 Å²	145.9	78%	0.781	78%	0.782	S	S	*	*			trans	114.4	96	177.4	48.5	-140.4	0	0	0	113.1
924	F	26.5	Very low	26.7	Very low	175 Å²	175	144.3 Å²	144.3	77%	0.768	78%	0.778	S	S	*	*				-175.7	127.6	75.7	-129.2	-102.9	0	0	0	113.3
925	K	26.5	Very low	26.3	Very low	176 Å²	176	146 Å²	146	77%	0.765	78%	0.777	S	S	*	*			trans	39.8	141	153	-64.3	-170.5	178.7	-175.7	0	123
926	P	27	Very low	26.4	Very low	122 Å²	122	147.2 Å²	147.2	79%	0.792	78%	0.779	S	S	*	*			trans	-86.8	163.9	173.7	37.9	-36.4	0	0	0	113.4
927	S	29.9	Very low	26.3	Very low	116 Å²	116	140 Å²	140	81%	0.811	77%	0.768	S	S	*	*			trans	-115	121.8	155.9	55.1	0	0	0	0	109
928	T	25.8	Very low	26.3	Very low	107 Å²	107	141 Å²	141	66%	0.656	78%	0.777	S	S	*	*			trans	-79.3	-179.7	172	47.7	0	0	0	0	111.4
929	D	27.5	Very low	26.2	Very low	137 Å²	137	139 Å²	139	73%	0.733	78%	0.777	S	S	*	*			trans	71.4	87.5	165.4	-47.4	-46.4	0	0	0	115.9
930	D	30.9	Very low	26.3	Very low	168 Å²	168	141.2 Å²	141.2	90%	0.898	78%	0.778	S	S	*	*				-144.3	145.3	102.7	-132.9	-22.6	0	0	0	110.8
931	T	25.1	Very low	26.3	Very low	114 Å²	114	138.6 Å²	138.6	70%	0.699	78%	0.777	S	S	*	*			trans	-120.1	148.8	-170.3	43.9	0	0	0	0	114
932	C	22.2	Very low	26.3	Very low	117 Å²	117	138.8 Å²	138.8	79%	0.791	78%	0.777	S	S	*	*			trans	54.5	91	159.1	-65.2	0	0	0	0	117.6
933	Q	28.1	Very low	26	Very low	204 Å²	204	142.3 Å²	142.3	95%	0.953	79%	0.79	S	S	*	*			trans	-132.9	85.9	147.8	-129.1	171	78	0	0	113
934	T	23.5	Very low	26	Very low	116 Å²	116	142.8 Å²	142.8	71%	0.712	79%	0.792	S	S	*	*			trans	-67.3	166.9	165.8	-39.9	0	0	0	0	110.6
935	L	23.5	Very low	26.1	Very low	150 Å²	150	140.4 Å²	140.4	79%	0.785	79%	0.794	S	S	*	*			trans	81.7	99.6	165.7	-51	173.5	0	0	0	117.7
936	L	25.6	Very low	26.2	Very low	136 Å²	136	135.4 Å²	135.4	71%	0.712	78%	0.781	S	S	*	*				-151.4	46.6	121.6	-117.9	172.6	0	0	0	111.9
937	A	24.9	Very low	26.2	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	76%	0.762	S	S	*	*			trans	-80.2	116	165.5	0	0	0	0	0	108.5	E939	A937-E939 PolarHBondContact O-N 3.13Å
938	C	24.4	Very low	26.1	Very low	115 Å²	115	136 Å²	136	78%	0.777	76%	0.763	S	S	*	*			trans	-67.4	121.5	178.6	-65.9	0	0	0	0	111
939	E	24.1	Very low	26.1	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	76%	0.763	S	S	*	*			trans	-71.3	128.6	-174.7	-55.4	170.2	119.2	0	0	112.4	A937	A937-E939 PolarHBondContact O-N 3.13Å
940	I	27	Very low	26.1	Very low	157 Å²	157	136.8 Å²	136.8	81%	0.805	77%	0.767	S	S	*	*			trans	-139.1	129.1	155.4	-61.1	-174.6	0	0	0	106
941	P	25.7	Very low	25.8	Very low	121 Å²	121	136.4 Å²	136.4	79%	0.786	76%	0.764	S	S	*	*			trans	-77.9	154.8	-152.7	27.7	-36.6	0	0	0	116.5	L943	P941-L943 PolarHBondContact O-N 2.86Å
942	N	25.9	Very low	25.9	Very low	163 Å²	163	136.3 Å²	136.3	87%	0.872	77%	0.767	S	S	*	*			trans	-68	119.8	174.9	-66.1	-55.6	0	0	0	112.3
943	L	25.8	Very low	26	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	77%	0.771	S	S	*	*			trans	-142.8	95.7	157.4	-80.8	-178.3	0	0	0	110.1	P941	P941-L943 PolarHBondContact O-N 2.86Å
944	L	27.2	Very low	25.9	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	77%	0.765	S	S	*	*			trans	-133.6	106.6	180	-143.2	174.4	0	0	0	108.7	S946	L944-S946 PolarHBondContact O-N 2.91Å
945	P	28.6	Very low	25.9	Very low	124 Å²	124	134.1 Å²	134.1	81%	0.805	77%	0.768	S	S	*	*			trans	-61.8	133	172.1	-21.7	34.1	0	0	0	110.2
946	S	28.2	Very low	26	Very low	71 Å²	71	133.9 Å²	133.9	50%	0.497	77%	0.768	S	S	.	*			trans	-93.3	168.8	-150.5	43.5	0	0	0	0	116.5	L944	L944-S946 PolarHBondContact O-N 2.91Å
947	F	26.5	Very low	26.1	Very low	90 Å²	90	132.8 Å²	132.8	40%	0.395	77%	0.769	S	S	.	*			trans	71	133.4	171.9	-48.7	-66.7	0	0	0	115.6	I1018 I1024	F947-I1018 HydrophobicContact CD1-CD1 3.69Å; F947-I1018 HydrophobicContact CD2-CD1 4.49Å; F947-I1018 HydrophobicContact CE1-CD1 3.34Å; F947-I1018 HydrophobicContact CE1-CG1 3.72Å; F947-I1018 HydrophobicContact CE1-CG2 4.31Å; F947-I1018 HydrophobicContact CE2-CD1 4.2Å; F947-I1018 HydrophobicContact CE2-CG1 4.49Å; F947-I1018 HydrophobicContact CE2-CG2 3.62Å; F947-I1018 HydrophobicContact CG-CD1 4.27Å; F947-I1018 HydrophobicContact CZ-CB 4.22Å; F947-I1018 HydrophobicContact CZ-CD1 3.64Å; F947-I1018 HydrophobicContact CZ-CG1 3.71Å; F947-I1018 HydrophobicContact CZ-CG2 3.44Å; F947-I1018 VanDerWaalsContact CZ-CG2 3.44Å; F947-I1024 HydrophobicContact CE1-CD1 3.95Å; F947-I1024 HydrophobicContact CE1-CG1 4.06Å; F947-I1024 HydrophobicContact CZ-CD1 4.48Å; F947-I1024 HydrophobicContact CZ-CG1 4.2Å
948	I	27.5	Very low	26.2	Very low	162 Å²	162	136 Å²	136	83%	0.831	77%	0.772	S	S	*	*			cis	-124.1	141.7	36.2	-65.3	161.1	0	0	0	112.2
949	P	25.2	Very low	26.2	Very low	101 Å²	101	138.4 Å²	138.4	66%	0.656	77%	0.771	S	S	*	*			trans	-90.6	143.1	173.5	35.4	-32.6	0	0	0	113.2
950	I	28.8	Very low	26.2	Very low	159 Å²	159	137.4 Å²	137.4	82%	0.815	77%	0.767	S	S	*	*			trans	-132.6	98.3	154.6	-58.6	-178.2	0	0	0	107.3
951	N	24.5	Very low	26.1	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	77%	0.77	S	S	*	*			trans	-105.5	109.5	174.2	-118.3	16.9	0	0	0	108.5
952	C	26.2	Very low	26.1	Very low	112 Å²	112	141.8 Å²	141.8	76%	0.757	77%	0.769	S	S	*	*			trans	-146.3	89.4	161.4	-89.8	0	0	0	0	108.3
953	A	24.2	Very low	26.2	Very low	105 Å²	105	140 Å²	140	87%	0.868	77%	0.766	S	S	*	*			trans	-77.8	115.1	158	0	0	0	0	0	107.3
954	L	25.8	Very low	26.4	Very low	159 Å²	159	136.7 Å²	136.7	83%	0.832	75%	0.753	S	S	*	*			trans	-133.1	146	168.2	-90	170	0	0	0	108.7
955	T	25.3	Very low	26.3	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	75%	0.749	S	S	*	*			trans	-82.3	154.5	-166.3	46.3	0	0	0	0	112.9
956	N	25.2	Very low	26.4	Very low	146 Å²	146	137 Å²	137	78%	0.781	76%	0.755	S	S	*	*			trans	-55.4	150.9	162.5	-73.5	2.5	0	0	0	110.4
957	P	27.5	Very low	26.2	Very low	113 Å²	113	140.5 Å²	140.5	73%	0.734	77%	0.767	S	S	*	*				-123.1	141.6	126.6	-1.9	22.6	0	0	0	113.3
958	M	26	Very low	26.1	Very low	151 Å²	151	143.6 Å²	143.6	74%	0.744	78%	0.782	S	S	*	*			trans	65.5	132.2	145.3	-55.9	-52	-65.3	0	0	121.9
959	E	24.9	Very low	25.8	Very low	166 Å²	166	140.8 Å²	140.8	78%	0.776	78%	0.776	S	S	*	*			trans	-71.7	164.7	151.7	-60.3	143.8	114	0	0	110.2
960	E	24.5	Very low	25.8	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	79%	0.785	S	S	*	*				-172.7	136.6	120.9	-100.5	176.5	173.7	0	0	112.8
961	Y	25.1	Very low	25.5	Very low	223 Å²	223	141.4 Å²	141.4	88%	0.875	78%	0.783	S	S	*	*			trans	7.4	156.9	164	-73.9	-94.1	0	0	0	126.3
962	L	25.7	Very low	25.5	Very low	147 Å²	147	138 Å²	138	77%	0.77	78%	0.777	S	S	*	*			trans	-57.4	166.6	159.7	-111	78.4	0	0	0	112.5
963	P	28.5	Very low	25.4	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	78%	0.78	S	S	*	*				-144.7	-179.2	51.4	40.8	-20.3	0	0	0	117.9
964	T	28.3	Very low	25.6	Very low	103 Å²	103	141.7 Å²	141.7	63%	0.632	78%	0.778	S	S	*	*			trans	-87.9	167.7	174.4	-24.1	0	0	0	0	112
965	D	26.4	Very low	25.5	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	78%	0.778	S	S	*	*			trans	68.4	104.8	155.9	-55.2	-46.4	0	0	0	120.7
966	V	30.5	Very low	25.6	Very low	152 Å²	152	144.8 Å²	144.8	92%	0.921	78%	0.783	S	S	*	*			trans	-131.9	139.7	134.4	178.9	0	0	0	0	108
967	L	24.5	Very low	25.6	Very low	143 Å²	143	142.5 Å²	142.5	75%	0.749	78%	0.779	S	S	*	*			trans	-103.3	168.2	-170.7	-105.4	168.1	0	0	0	113.7
968	H	23.8	Very low	25.6	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.718	78%	0.782	S	S	*	*			trans	78.6	133.3	151.8	-97.3	-77.4	0	0	0	122.1
969	C	21.6	Very low	25.5	Very low	104 Å²	104	142 Å²	142	70%	0.703	78%	0.782	S	S	*	*			trans	68.9	141	156.4	-59.5	0	0	0	0	116.8
970	L	25.5	Very low	25.7	Very low	162 Å²	162	143.8 Å²	143.8	85%	0.848	79%	0.787	S	S	*	*			cis	-136.6	158.2	20.6	-74	164.5	0	0	0	114.3
971	S	22.6	Very low	25.6	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	78%	0.778	S	S	*	*			trans	-59.6	165.4	153.8	46.1	0	0	0	0	113.5
972	A	24	Very low	25.5	Very low	89 Å²	89	137.4 Å²	137.4	74%	0.736	78%	0.775	S	S	*	*			cis	-174.9	-179.3	-14.3	0	0	0	0	0	108.6
973	S	24.4	Very low	25.5	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	78%	0.78	S	S	*	*			trans	70.6	162	163.9	-115.7	0	0	0	0	116.4
974	E	27.4	Very low	25.2	Very low	177 Å²	177	139.1 Å²	139.1	83%	0.827	78%	0.777	S	S	*	*			cis	-128.8	171.9	4.4	-66.3	-167.6	119.2	0	0	113.2
975	H	24.5	Very low	24.9	Very low	181 Å²	181	141.6 Å²	141.6	84%	0.838	79%	0.785	S	S	*	*			trans	-74.6	161.7	165.7	-77	-117.8	0	0	0	112.4
976	I	26.5	Very low	24.8	Very low	170 Å²	170	141.1 Å²	141.1	87%	0.872	79%	0.787	S	S	*	*			trans	-157.6	151.1	131.2	-104.8	152.2	0	0	0	110
977	S	24.4	Very low	24.4	Very low	99 Å²	99	143.3 Å²	143.3	69%	0.692	78%	0.784	S	S	*	*			trans	-117.6	157.8	-177.5	-173	0	0	0	0	111.8
978	S	28.5	Very low	24.7	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	78%	0.782	S	S	*	*			trans	-165.3	132.8	145.9	31.7	0	0	0	0	112.2
979	D	23.8	Very low	24.7	Very low	139 Å²	139	140.7 Å²	140.7	74%	0.743	79%	0.787	S	S	*	*			trans	-87.2	157.2	169.7	-63	-84.1	0	0	0	111.8
980	F	28.9	Very low	24.7	Very low	202 Å²	202	143.4 Å²	143.4	89%	0.886	80%	0.795	S	S	*	*			trans	-172	93.6	147	-85.4	-64.2	0	0	0	106.5
981	S	23.2	Very low	24.7	Very low	87 Å²	87	141.6 Å²	141.6	61%	0.608	80%	0.796	S	S	*	*				76.1	118.4	71.5	78.5	0	0	0	0	115.6
982	Q	23.1	Very low	24.6	Very low	174 Å²	174	144 Å²	144	81%	0.813	80%	0.799	S	S	*	*			trans	46.4	130	147.5	-66.4	175.3	-46.1	0	0	121.4
983	I	24.6	Very low	24.6	Very low	171 Å²	171	151.5 Å²	151.5	88%	0.877	81%	0.808	S	S	*	*				-162.8	139.4	110.7	-97.7	155.1	0	0	0	109
984	D	21.8	Very low	24.6	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	80%	0.803	S	S	*	*			trans	-81.6	162.8	176.6	-78.5	-76.5	0	0	0	112.7
985	L	23.2	Very low	24.3	Very low	154 Å²	154	148.4 Å²	148.4	81%	0.806	80%	0.804	S	S	*	*				178.1	120.4	123.9	-94.1	159.5	0	0	0	114.2
986	T	24	Very low	24.4	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	80%	0.803	S	S	*	*			trans	44.7	128.1	143.7	50.5	0	0	0	0	123.5
987	K	21.4	Very low	24.2	Very low	198 Å²	198	146.7 Å²	146.7	86%	0.861	80%	0.802	S	S	*	*			trans	-80.7	-176.6	151.3	-45.8	168.6	178.4	166.3	0	110.4
988	P	31.2	Very low	24.1	Very low	108 Å²	108	149.4 Å²	149.4	70%	0.701	81%	0.808	S	S	*	*			cis	-127.7	-175	-20.8	33.5	-14.3	0	0	0	112.1
989	T	24	Very low	23.9	Very low	135 Å²	135	148.3 Å²	148.3	83%	0.828	80%	0.8	S	S	*	*				165.8	164.7	122.6	35.6	0	0	0	0	112.2
990	D	22.2	Very low	23.9	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	80%	0.801	S	S	*	*			trans	-85.7	141.4	-176.6	-53.4	-94.7	0	0	0	113.5
991	S	24.1	Very low	23.7	Very low	124 Å²	124	146 Å²	146	87%	0.867	81%	0.805	S	S	*	*			trans	-169	160.2	140.7	37.1	0	0	0	0	111.6
992	L	22.3	Very low	23.8	Very low	159 Å²	159	148.1 Å²	148.1	83%	0.832	81%	0.809	S	S	*	*			trans	-97.7	149.2	177.4	-69.3	135.1	0	0	0	110.2
993	W	24.1	Very low	23.8	Very low	247 Å²	247	146.3 Å²	146.3	94%	0.936	80%	0.804	S	S	*	*			trans	163.9	160.2	140.8	-88.1	20.5	0	0	0	107
994	C	22.7	Very low	23.8	Very low	102 Å²	102	144.5 Å²	144.5	69%	0.689	80%	0.796	S	S	*	*			cis	175.1	144.2	-36.5	-106.9	0	0	0	0	105.6
995	C	22.6	Very low	24	Very low	127 Å²	127	143.2 Å²	143.2	86%	0.858	80%	0.798	S	S	*	*			trans	72.8	142.8	161.7	-60.4	0	0	0	0	121
996	N	25.4	Very low	24.1	Very low	154 Å²	154	142.3 Å²	142.3	82%	0.824	79%	0.793	S	S	*	*			trans	-59.5	153	174.9	-40.6	-37.3	0	0	0	113.7
997	L	22.1	Very low	24.1	Very low	161 Å²	161	143.6 Å²	143.6	84%	0.843	80%	0.795	S	S	*	*				-172.4	171.1	128.2	-104	157.9	0	0	0	112
998	L	23.9	Very low	24.3	Very low	155 Å²	155	142.5 Å²	142.5	81%	0.812	79%	0.791	S	S	*	*			trans	69.4	107.3	-168.9	-75	67.3	0	0	0	113.9
999	S	22.9	Very low	24	Very low	93 Å²	93	145.4 Å²	145.4	65%	0.65	80%	0.798	S	S	*	*			cis	85.4	125.3	24.7	93.8	0	0	0	0	116.4
1000	S	23.5	Very low	24.1	Very low	107 Å²	107	146.3 Å²	146.3	75%	0.748	80%	0.797	S	S	*	*			trans	49.6	106.5	156	59.6	0	0	0	0	119.2
1001	L	26	Very low	24.2	Very low	185 Å²	185	143 Å²	143	97%	0.969	79%	0.792	S	S	*	*			trans	-141.9	149.9	131.7	-106.5	162.7	0	0	0	108
1002	D	23.9	Very low	24.5	Very low	132 Å²	132	142.4 Å²	142.4	71%	0.706	79%	0.785	S	S	*	*			trans	-131.3	-174.9	-155.7	-172	21.9	0	0	0	111.8
1003	L	24	Very low	24.6	Very low	135 Å²	135	139.2 Å²	139.2	71%	0.707	78%	0.776	S	S	*	*			trans	86.6	88.5	163.8	-63.2	136.4	0	0	0	117.4
1004	N	23.6	Very low	24.7	Very low	134 Å²	134	136.4 Å²	136.4	72%	0.717	77%	0.766	S	S	*	*				36.1	100.2	113.2	-67.8	-50.6	0	0	0	117.5
1005	S	26.1	Very low	24.8	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	77%	0.769	S	S	*	*			trans	-153.9	105.6	151.5	-85.9	0	0	0	0	112.3
1006	L	25.3	Very low	25	Very low	135 Å²	135	135.2 Å²	135.2	71%	0.707	76%	0.761	S	S	*	*			trans	51.9	114.2	165.4	-60.1	85.9	0	0	0	116.7	K1008	L1006-K1008 HydrophobicContact CD2-CB 4.44Å; L1006-K1008 HydrophobicContact CD2-CD 4.19Å
1007	N	24.4	Very low	25	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	75%	0.753	S	S	*	*			cis	54.2	59.1	11	-94.4	-5.2	0	0	0	114.9
1008	K	25.2	Very low	25.3	Very low	176 Å²	176	129.4 Å²	129.4	77%	0.765	73%	0.733	S	S	*	*			trans	-158.9	156.8	153	-108.9	161.2	-174.1	175.7	0	109.3	L1006	L1006-K1008 HydrophobicContact CD2-CB 4.44Å; L1006-K1008 HydrophobicContact CD2-CD 4.19Å
1009	I	25.9	Very low	25.7	Very low	168 Å²	168	124.3 Å²	124.3	86%	0.862	71%	0.711	S	S	*	*			trans	68	71.3	-173.1	-43.1	176.9	0	0	0	112.9
1010	I	25.1	Very low	26.1	Very low	155 Å²	155	125 Å²	125	80%	0.795	72%	0.716	S	S	*	*			trans	-96.9	134.2	152.5	-65.9	171.2	0	0	0	106.9
1011	A	24.9	Very low	26.6	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	71%	0.705	S	S	*	*			trans	-135.9	126.1	161.7	0	0	0	0	0	107.6
1012	P	30.5	Very low	26.8	Very low	112 Å²	112	117 Å²	117	73%	0.727	67%	0.672	S	S	*	*			trans	-99.4	-172.5	-167.7	39.8	-38.2	0	0	0	113.8
1013	S	25.1	Very low	27.2	Very low	92 Å²	92	116.4 Å²	116.4	64%	0.643	66%	0.664	S	S	*	*			trans	83	144.9	167.3	82.9	0	0	0	0	116.6
1014	Y	25.5	Very low	27.7	Very low	187 Å²	187	115.2 Å²	115.2	73%	0.733	66%	0.658	S	S	*	*			cis	-121.1	150.6	-0.7	-85	-88	0	0	0	112.5
1015	S	25	Very low	28	Very low	108 Å²	108	114.3 Å²	114.3	76%	0.755	65%	0.652	S	S	*	*			trans	-87	156.3	168.5	50.5	0	0	0	0	111.4
1016	S	27.1	Very low	28.2	Very low	96 Å²	96	119.2 Å²	119.2	67%	0.671	65%	0.653	S	S	*	*			trans	-129.6	123.1	158.1	50.4	0	0	0	0	108.3
1017	V	25.2	Very low	28.3	Very low	110 Å²	110	120.1 Å²	120.1	67%	0.667	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-94.2	123.6	-179.4	179.3	0	0	0	0	108.1
1018	I	27.5	Very low	28.6	Very low	83 Å²	83	119.3 Å²	119.3	43%	0.426	65%	0.654	S	S	.	*	B	Isolated β-bridge	trans	-94.4	121.4	174.7	-65.9	158.1	0	0	0	107.2	F947	F947-I1018 HydrophobicContact CD1-CD1 3.69Å; F947-I1018 HydrophobicContact CD2-CD1 4.49Å; F947-I1018 HydrophobicContact CE1-CD1 3.34Å; F947-I1018 HydrophobicContact CE1-CG1 3.72Å; F947-I1018 HydrophobicContact CE1-CG2 4.31Å; F947-I1018 HydrophobicContact CE2-CD1 4.2Å; F947-I1018 HydrophobicContact CE2-CG1 4.49Å; F947-I1018 HydrophobicContact CE2-CG2 3.62Å; F947-I1018 HydrophobicContact CG-CD1 4.27Å; F947-I1018 HydrophobicContact CZ-CB 4.22Å; F947-I1018 HydrophobicContact CZ-CD1 3.64Å; F947-I1018 HydrophobicContact CZ-CG1 3.71Å; F947-I1018 HydrophobicContact CZ-CG2 3.44Å; F947-I1018 VanDerWaalsContact CZ-CG2 3.44Å
1019	S	33.1	Very low	29	Very low	49 Å²	49	114.9 Å²	114.9	34%	0.343	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-69.9	155.9	173.4	176.6	0	0	0	0	110.7	N1021 G1022 E1023	S1019-N1021 WeakPolarHBondContact CB-OD1 3.38Å; S1019-N1021 PolarHBondContact O-N 3.23Å; S1019-N1021 PolarHBondContact OG-OD1 3.21Å; S1019-G1022 PolarHBondContact O-N 3.5Å; S1019-E1023 PolarHBondContact N-O 3.22Å
1020	S	31.6	Very low	29	Very low	107 Å²	107	112.3 Å²	112.3	75%	0.748	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12	-175	55	0	0	0	0	114.6
1021	N	33.1	Very low	29.3	Very low	99 Å²	99	111.5 Å²	111.5	53%	0.529	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.9	-1.5	170.3	64.5	-18.9	0	0	0	114.2	S1019 E1023	S1019-N1021 WeakPolarHBondContact CB-OD1 3.38Å; S1019-N1021 PolarHBondContact O-N 3.23Å; S1019-N1021 PolarHBondContact OG-OD1 3.21Å; N1021-E1023 VanDerWaalsContact ND2-CD 3.32Å; N1021-E1023 PolarHBondContact ND2-OE2 3.26Å
1022	G	31.1	Very low	29.4	Very low	26 Å²	26	113.8 Å²	113.8	27%	0.268	64%	0.64	S	S	.	*			trans	87.7	5.7	175.8	0	0	0	0	0	115.7	S1019	S1019-G1022 PolarHBondContact O-N 3.5Å
1023	E	32.5	Very low	29.4	Very low	118 Å²	118	115.2 Å²	115.2	55%	0.551	64%	0.641	S	S	*	*			trans	-74.7	137.7	176.7	-67.8	-179	135.5	0	0	111.9	S1019 N1021	S1019-E1023 PolarHBondContact N-O 3.22Å; N1021-E1023 VanDerWaalsContact ND2-CD 3.32Å; N1021-E1023 PolarHBondContact ND2-OE2 3.26Å
1024	I	34	Very low	29.5	Very low	111 Å²	111	117.3 Å²	117.3	57%	0.569	65%	0.645	S	S	*	*	B	Isolated β-bridge	trans	-99.9	94.2	174.7	-56.4	175.1	0	0	0	107.8	F947 R1026	F947-I1024 HydrophobicContact CE1-CD1 3.95Å; F947-I1024 HydrophobicContact CE1-CG1 4.06Å; F947-I1024 HydrophobicContact CZ-CD1 4.48Å; F947-I1024 HydrophobicContact CZ-CG1 4.2Å; I1024-R1026 PolarHBondContact O-N 3.28Å
1025	I	29.9	Very low	29.5	Very low	114 Å²	114	114.9 Å²	114.9	59%	0.585	64%	0.643	S	S	*	*			trans	-73.9	111.5	170.4	-58.3	176.8	0	0	0	107.4	L1027	I1025-L1027 PolarHBondContact O-N 2.89Å
1026	R	29.7	Very low	29.5	Very low	212 Å²	212	114 Å²	114	80%	0.8	64%	0.637	S	S	*	*			trans	-74.4	120.5	165.7	-77.3	-171.7	169.8	113.2	-3.1	108.5	I1024	I1024-R1026 PolarHBondContact O-N 3.28Å
1027	L	27.8	Very low	29.3	Very low	155 Å²	155	118.3 Å²	118.3	81%	0.812	64%	0.644	S	S	*	*			trans	-94.7	109.7	163.4	-71.1	166.6	0	0	0	106.8	I1025	I1025-L1027 PolarHBondContact O-N 2.89Å
1028	D	31	Very low	29.3	Very low	136 Å²	136	118.5 Å²	118.5	73%	0.727	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-70	143	173.6	-65.1	-49.5	0	0	0	110.1
1029	P	32.5	Very low	29.2	Very low	84 Å²	84	119.4 Å²	119.4	55%	0.545	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-70.6	143	-176.7	29.2	-34.8	0	0	0	111.2	T1031	P1029-T1031 PolarHBondContact O-N 3.43Å
1030	P	27.9	Very low	28.7	Very low	113 Å²	113	125.3 Å²	125.3	73%	0.734	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-72.2	117.3	-175.4	28.5	-34.4	0	0	0	111.7	N1032	P1030-N1032 PolarHBondContact O-N 2.91Å; P1030-N1032 VanDerWaalsContact O-N 3.11Å
1031	T	31.2	Very low	28.4	Very low	139 Å²	139	125.5 Å²	125.5	85%	0.853	69%	0.69	S	S	*	*			trans	-72.3	96.3	163.5	50.7	0	0	0	0	109.3	P1029	P1029-T1031 PolarHBondContact O-N 3.43Å
1032	N	27	Very low	28	Very low	139 Å²	139	125.5 Å²	125.5	74%	0.743	70%	0.697	S	S	*	*			trans	-71.6	161.4	164.7	-103.3	-0.4	0	0	0	110.7	P1030	P1030-N1032 PolarHBondContact O-N 2.91Å; P1030-N1032 VanDerWaalsContact O-N 3.11Å
1033	N	30.1	Very low	27.6	Very low	142 Å²	142	131.9 Å²	131.9	76%	0.759	72%	0.724	S	S	*	*			trans	76.2	129.7	-176.7	-46.8	0.4	0	0	0	114.1
1034	D	26.1	Very low	27.3	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	74%	0.738	S	S	*	*			cis	-164.1	173.9	-24.6	-136	-37.9	0	0	0	111.4
1035	I	25.7	Very low	27.1	Very low	136 Å²	136	132.2 Å²	132.2	70%	0.697	74%	0.741	S	S	*	*			trans	58.7	78.6	152.4	-60.5	158.7	0	0	0	116.9
1036	S	24.5	Very low	26.8	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	75%	0.745	S	S	*	*				92.2	135.5	114.9	85.7	0	0	0	0	123.5
1037	K	24.9	Very low	26.8	Very low	186 Å²	186	128.6 Å²	128.6	81%	0.809	75%	0.745	S	S	*	*			trans	68.2	127.1	136.2	-72.9	169.4	-179.3	178.1	0	122
1038	S	24.9	Very low	26.5	Very low	114 Å²	114	128 Å²	128	80%	0.797	74%	0.737	S	S	*	*			trans	62.5	146.5	148.6	48	0	0	0	0	118.1
1039	S	24.5	Very low	26.3	Very low	102 Å²	102	132 Å²	132	71%	0.713	75%	0.748	S	S	*	*			cis	-154.3	137.4	-5.2	19.1	0	0	0	0	107
1040	M	22.5	Very low	25.8	Very low	173 Å²	173	136.4 Å²	136.4	85%	0.852	75%	0.753	S	S	*	*				51.1	140.6	93.7	-75.5	-92.5	81.7	0	0	115.6
1041	S	24.7	Very low	25.5	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	76%	0.756	S	S	*	*			trans	74.4	142.3	-177.2	78.1	0	0	0	0	116.2
1042	S	24.5	Very low	25.1	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	75%	0.745	S	S	*	*			cis	-164.3	143.2	-19.2	45.2	0	0	0	0	112.9
1043	L	23.7	Very low	25	Very low	160 Å²	160	138.8 Å²	138.8	84%	0.838	75%	0.748	S	S	*	*			trans	25.2	129.6	132.7	-54.5	161.5	0	0	0	119
1044	V	25.9	Very low	24.7	Very low	139 Å²	139	139 Å²	139	84%	0.842	75%	0.748	S	S	*	*				-168.5	151.2	98.5	142.9	0	0	0	0	110.3
1045	P	29.6	Very low	24.5	Very low	98 Å²	98	140.6 Å²	140.6	64%	0.636	75%	0.751	S	S	*	*			trans	-132	-164.6	-155.1	40.1	-20.2	0	0	0	115.5
1046	C	24.3	Very low	24.5	Very low	98 Å²	98	143.8 Å²	143.8	66%	0.662	76%	0.76	S	S	*	*			trans	75.7	158.1	169.5	-57.9	0	0	0	0	115.8
1047	D	28.8	Very low	24.4	Very low	152 Å²	152	146.8 Å²	146.8	81%	0.813	76%	0.764	S	S	*	*			cis	-109.2	154.6	2.1	-65.5	-64.3	0	0	0	112.2
1048	F	22.8	Very low	24.2	Very low	143 Å²	143	145.1 Å²	145.1	63%	0.627	76%	0.763	S	S	*	*			cis	73.3	91	41.2	-109.7	-86.6	0	0	0	116.2	R1050	F1048-R1050 HydrophobicContact CE1-CB 4.4Å
1049	F	26	Very low	24.2	Very low	218 Å²	218	147.2 Å²	147.2	96%	0.956	76%	0.764	S	S	*	*			trans	-136.5	146.9	133.9	-112.4	-81.7	0	0	0	110
1050	R	22.9	Very low	24.1	Very low	177 Å²	177	151.7 Å²	151.7	67%	0.668	77%	0.766	S	S	*	*			trans	-142	168.5	-164.2	-157.6	-168.8	-166.6	-177.1	6.1	109.3	F1048	F1048-R1050 HydrophobicContact CE1-CB 4.4Å
1051	W	21.5	Very low	24.3	Very low	208 Å²	208	152 Å²	152	79%	0.788	77%	0.765	S	S	*	*			trans	70.2	159.3	169.5	-73.9	-4.9	0	0	0	114.8
1052	N	22.5	Very low	24.2	Very low	118 Å²	118	150.4 Å²	150.4	63%	0.631	75%	0.754	S	S	*	*			cis	-141.6	160.2	11.3	-134.8	-16.1	0	0	0	113.6
1053	S	24.9	Very low	24.3	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	76%	0.755	S	S	*	*			trans	-72.3	124.4	163.3	-61.2	0	0	0	0	109.7
1054	I	23.2	Very low	24.2	Very low	146 Å²	146	150.3 Å²	150.3	75%	0.749	75%	0.752	S	S	*	*			trans	-137.2	126.2	162.4	-65.1	-175.2	0	0	0	108.6
1055	E	22.1	Very low	24.1	Very low	169 Å²	169	150 Å²	150	79%	0.79	74%	0.744	S	S	*	*			trans	-69.9	136.3	171.7	-59.6	166.9	98.2	0	0	110.6
1056	K	26.1	Very low	23.9	Very low	204 Å²	204	151.8 Å²	151.8	89%	0.887	75%	0.753	S	S	*	*			trans	-132	118.5	150.2	-82	-164	172.7	-179.4	0	110.7
1057	Q	21.8	Very low	23.8	Very low	154 Å²	154	156.9 Å²	156.9	72%	0.72	76%	0.758	S	S	*	*			trans	-76.5	169.6	174.3	-59.4	170.6	-12.1	0	0	110.8
1058	L	21.8	Very low	23.6	Very low	151 Å²	151	153.5 Å²	153.5	79%	0.791	74%	0.743	S	S	*	*			trans	73.2	146	167.6	-51.2	129.3	0	0	0	114.1
1059	I	24.6	Very low	23.6	Very low	158 Å²	158	157.1 Å²	157.1	81%	0.81	75%	0.753	S	S	*	*			cis	-120	142.9	13.4	-67.3	169.3	0	0	0	111.3
1060	Y	21.6	Very low	23.6	Very low	195 Å²	195	151.3 Å²	151.3	77%	0.765	74%	0.735	S	S	*	*			trans	-75.8	148.2	172.5	-89.6	-116.5	0	0	0	112.3
1061	H	26.1	Very low	23.6	Very low	180 Å²	180	149.8 Å²	149.8	83%	0.833	74%	0.739	S	S	*	*			trans	-149.8	87.2	135	-102.4	-56.6	0	0	0	113.3
1062	S	23.2	Very low	23.8	Very low	78 Å²	78	150.9 Å²	150.9	55%	0.545	74%	0.743	S	S	.	*			trans	37.2	103.9	135.5	53.5	0	0	0	0	120.8
1063	I	25.9	Very low	23.9	Very low	137 Å²	137	153.8 Å²	153.8	70%	0.703	75%	0.75	S	S	*	*				44.7	121.1	101	-66.3	172.1	0	0	0	115.5
1064	P	23	Very low	23.8	Very low	119 Å²	119	156.1 Å²	156.1	77%	0.773	75%	0.752	S	S	*	*				-118	126.5	77	-2.3	22.9	0	0	0	115.9
1065	I	23.4	Very low	23.9	Very low	131 Å²	131	156.2 Å²	156.2	67%	0.672	75%	0.753	S	S	*	*			trans	-80.3	116.4	156.2	-64.5	163.9	0	0	0	107.3	R1067	I1065-R1067 HydrophobicContact CG2-CG 3.93Å
1066	V	24.4	Very low	24	Very low	137 Å²	137	152.8 Å²	152.8	83%	0.83	74%	0.74	S	S	*	*			trans	-109.7	109.2	160.2	-178	0	0	0	0	108.1
1067	R	23.3	Very low	24.3	Very low	205 Å²	205	148.1 Å²	148.1	77%	0.774	73%	0.731	S	S	*	*			trans	-78.5	139.4	175.1	-60.8	169.6	172.8	134	-6.7	109.3	I1065	I1065-R1067 HydrophobicContact CG2-CG 3.93Å
1068	T	24.7	Very low	24.7	Very low	80 Å²	80	144.4 Å²	144.4	49%	0.491	72%	0.722	S	S	.	*				-138.4	162.6	126	51.5	0	0	0	0	109.6	H1110 H1111	T1068-H1110 PolarHBondContact OG1-CE1 3.11Å; T1068-H1111 PolarHBondContact OG1-CD2 3.46Å; T1068-H1111 PolarHBondContact OG1-NE2 2.82Å
1069	R	23.1	Very low	24.9	Very low	219 Å²	219	143.3 Å²	143.3	83%	0.826	72%	0.715	S	S	*	*			trans	-110.8	135.2	-165.7	-62.3	165.5	170	153.5	-8.9	110.1
1070	T	25.4	Very low	25	Very low	97 Å²	97	143.9 Å²	143.9	60%	0.595	72%	0.715	S	S	*	*			trans	-130.4	130.8	152.1	32.6	0	0	0	0	109.3	R1072 H1111	T1070-R1072 PolarHBondContact O-N 3.39Å; T1070-H1111 HydrophobicContact CG2-CB 4.25Å
1071	I	23.7	Very low	25.3	Very low	144 Å²	144	141.9 Å²	141.9	74%	0.738	72%	0.716	S	S	*	*			trans	-82.4	116	-169.5	-62	169.6	0	0	0	108.9
1072	R	24	Very low	25.5	Very low	232 Å²	232	140.3 Å²	140.3	88%	0.875	71%	0.713	S	S	*	*			trans	-84	117.7	159.6	-82.2	-175.7	171.1	167.6	-2.8	108.5	T1070 I1074	T1070-R1072 PolarHBondContact O-N 3.39Å; R1072-I1074 PolarHBondContact O-N 2.91Å; R1072-I1074 VanDerWaalsContact O-N 3.1Å
1073	F	24.7	Very low	25.7	Very low	179 Å²	179	144.1 Å²	144.1	79%	0.785	72%	0.723	S	S	*	*			trans	-64.8	106.6	160.8	-73.7	-88	0	0	0	108.3	L1075	F1073-L1075 VanDerWaalsContact C-N 3.31Å; F1073-L1075 PolarHBondContact O-N 3Å; F1073-L1075 VanDerWaalsContact O-N 3.16Å
1074	I	24.2	Very low	25.7	Very low	163 Å²	163	146.9 Å²	146.9	84%	0.836	73%	0.725	S	S	*	*			trans	-79.1	90	165.1	-57.3	175.1	0	0	0	105.4	R1072 D1076	R1072-I1074 PolarHBondContact O-N 2.91Å; R1072-I1074 VanDerWaalsContact O-N 3.1Å; I1074-D1076 PolarHBondContact O-N 3.02Å
1075	L	25	Very low	25.9	Very low	148 Å²	148	150.2 Å²	150.2	78%	0.775	73%	0.728	S	S	*	*			trans	-78.6	115.7	168.1	-83.2	165.1	0	0	0	107.9	F1073	F1073-L1075 VanDerWaalsContact C-N 3.31Å; F1073-L1075 PolarHBondContact O-N 3Å; F1073-L1075 VanDerWaalsContact O-N 3.16Å
1076	D	24.8	Very low	26	Very low	98 Å²	98	150.7 Å²	150.7	52%	0.524	74%	0.737	S	S	.	*			trans	-65.8	126.4	-175.1	-178.1	17	0	0	0	111	I1074 S1078	I1074-D1076 PolarHBondContact O-N 3.02Å; D1076-S1078 PolarHBondContact O-N 2.82Å; D1076-S1078 WeakPolarHBondContact OD2-CB 3.5Å; D1076-S1078 PolarHBondContact OD2-OG 3.01Å
1077	P	31.1	Very low	26	Very low	106 Å²	106	153.6 Å²	153.6	69%	0.688	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	17.8	180	31	-38	0	0	0	114.7
1078	S	29.8	Very low	26.2	Very low	75 Å²	75	151 Å²	151	52%	0.524	74%	0.74	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.8	-16.1	-178.6	65	0	0	0	0	114.8	D1076 Q1080	D1076-S1078 PolarHBondContact O-N 2.82Å; D1076-S1078 WeakPolarHBondContact OD2-CB 3.5Å; D1076-S1078 PolarHBondContact OD2-OG 3.01Å; S1078-Q1080 PolarHBondContact O-N 2.97Å; S1078-Q1080 VanDerWaalsContact O-N 3.14Å
1079	I	27.2	Very low	26.2	Very low	128 Å²	128	156.7 Å²	156.7	66%	0.656	76%	0.761	S	S	*	*			trans	-82.4	96	-172.3	-55.1	179.7	0	0	0	111.2	I1081	I1079-I1081 HydrophobicContact CG2-CD1 4.43Å; I1079-I1081 HydrophobicContact CG2-CG1 4.24Å
1080	Q	26.4	Very low	26.3	Very low	171 Å²	171	150.6 Å²	150.6	80%	0.799	75%	0.752	S	S	*	*			trans	-78	133.7	167	-66.7	-177.5	-13.9	0	0	111.3	S1078	S1078-Q1080 PolarHBondContact O-N 2.97Å; S1078-Q1080 VanDerWaalsContact O-N 3.14Å
1081	I	28.7	Very low	26.3	Very low	153 Å²	153	155.3 Å²	155.3	79%	0.785	76%	0.764	S	S	*	*			trans	-133.4	120.4	165.2	-59.6	-179.4	0	0	0	107.8	I1079	I1079-I1081 HydrophobicContact CG2-CD1 4.43Å; I1079-I1081 HydrophobicContact CG2-CG1 4.24Å
1082	N	30.3	Very low	26.4	Very low	146 Å²	146	156.5 Å²	156.5	78%	0.781	77%	0.77	S	S	*	*			trans	-81.2	166.1	-175	-74.3	-30.7	0	0	0	113.3
1083	E	27.3	Very low	26.6	Very low	159 Å²	159	153.8 Å²	153.8	74%	0.743	77%	0.767	S	S	*	*			trans	-68.8	170.9	-175.6	-56.9	-176.2	118.3	0	0	115.1
1084	Y	26.1	Very low	26.6	Very low	194 Å²	194	152.2 Å²	152.2	76%	0.761	77%	0.766	S	S	*	*			trans	60.4	98.7	167.2	-58.4	-80	0	0	0	118.3
1085	K	26.1	Very low	26.9	Very low	189 Å²	189	151.1 Å²	151.1	82%	0.822	77%	0.766	S	S	*	*				-168.2	153.1	104.3	-101.4	153.2	-172.3	171.3	0	113.9	F1087	K1085-F1087 PolarHBondContact O-N 3.13Å
1086	T	25.6	Very low	27	Very low	142 Å²	142	152.7 Å²	152.7	87%	0.871	77%	0.769	S	S	*	*			trans	-58.6	123	168.5	47.2	0	0	0	0	111.1
1087	F	25	Very low	27.3	Very low	197 Å²	197	151 Å²	151	86%	0.864	78%	0.775	S	S	*	*			trans	-107.3	126.1	170.2	-103.6	-91	0	0	0	111.5	K1085	K1085-F1087 PolarHBondContact O-N 3.13Å
1088	N	26.2	Very low	27.3	Very low	150 Å²	150	151.9 Å²	151.9	80%	0.802	78%	0.778	S	S	*	*			trans	-80.1	145.7	-178.9	-114.1	-27	0	0	0	111.3	S1090	N1088-S1090 VanDerWaalsContact C-N 3.33Å; N1088-S1090 PolarHBondContact O-N 3.25Å
1089	H	25.4	Very low	27.2	Very low	200 Å²	200	155.1 Å²	155.1	93%	0.926	79%	0.79	S	S	*	*	S	Bend	trans	-73.1	79.7	175.3	-81.1	-83.4	0	0	0	112
1090	S	25.2	Very low	27.2	Very low	91 Å²	91	157 Å²	157	64%	0.636	80%	0.8	S	S	*	*			trans	-156.7	129	168.9	61.3	0	0	0	0	112.6	N1088	N1088-S1090 VanDerWaalsContact C-N 3.33Å; N1088-S1090 PolarHBondContact O-N 3.25Å
1091	K	24.5	Very low	27.3	Very low	196 Å²	196	154.2 Å²	154.2	85%	0.852	80%	0.796	S	S	*	*			trans	66.4	107.7	176.7	-54.3	177	-179.6	178.5	0	116.3
1092	I	27.1	Very low	27.1	Very low	170 Å²	170	155.3 Å²	155.3	87%	0.872	80%	0.802	S	S	*	*				-158.8	136.2	125.4	-95.8	149.2	0	0	0	105.7
1093	H	26.7	Very low	27	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.806	80%	0.804	S	S	*	*			trans	-89.7	144.7	-176.7	-84	-117.8	0	0	0	111.6
1094	I	25.8	Very low	27	Very low	147 Å²	147	152.4 Å²	152.4	75%	0.754	81%	0.805	S	S	*	*			trans	-82.7	130.1	165.4	-59.1	171.8	0	0	0	107.6
1095	V	30.2	Very low	27	Very low	140 Å²	140	149.3 Å²	149.3	85%	0.848	81%	0.807	S	S	*	*			trans	-105	126.9	166.3	179.8	0	0	0	0	107.6
1096	H	27.5	Very low	26.9	Very low	181 Å²	181	150.9 Å²	150.9	84%	0.838	81%	0.807	S	S	*	*			trans	-105	142.4	-175.5	-117	-86.5	0	0	0	111
1097	G	30.8	Very low	26.9	Very low	62 Å²	62	149.1 Å²	149.1	64%	0.639	80%	0.801	S	S	*	*			trans	157.5	142.6	166.9	0	0	0	0	0	111.9
1098	T	30.6	Very low	27	Very low	125 Å²	125	149.4 Å²	149.4	77%	0.767	80%	0.802	S	S	*	*			cis	-155	151	-12.7	2.9	0	0	0	0	108.8
1099	D	28	Very low	26.9	Very low	142 Å²	142	152.8 Å²	152.8	76%	0.759	81%	0.806	S	S	*	*			trans	38.6	118	152.7	-46.6	-37.6	0	0	0	121.4
1100	I	28.1	Very low	27	Very low	169 Å²	169	149.1 Å²	149.1	87%	0.867	79%	0.788	S	S	*	*			trans	-160.4	146.3	137.1	-103.2	150.3	0	0	0	109
1101	P	28.3	Very low	27.1	Very low	112 Å²	112	154.2 Å²	154.2	73%	0.727	80%	0.802	S	S	*	*			trans	-88.1	163.8	-157.1	-10.6	29.6	0	0	0	116
1102	L	24.4	Very low	27.3	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	80%	0.799	S	S	*	*			trans	-68.6	135.3	167.6	-77.4	78.1	0	0	0	111.2
1103	V	28.3	Very low	27.3	Very low	135 Å²	135	151.2 Å²	151.2	82%	0.818	80%	0.795	S	S	*	*			trans	-131.6	130.1	160.3	-179.9	0	0	0	0	108.1
1104	S	27	Very low	27.3	Very low	110 Å²	110	149.9 Å²	149.9	77%	0.769	80%	0.795	S	S	*	*			trans	-99.5	120.8	174.8	63.6	0	0	0	0	111.3
1105	T	26	Very low	27.4	Very low	128 Å²	128	150.1 Å²	150.1	79%	0.785	80%	0.797	S	S	*	*			trans	-166.7	151.9	138.6	20.7	0	0	0	0	113
1106	R	24.8	Very low	27.2	Very low	222 Å²	222	150.7 Å²	150.7	84%	0.838	79%	0.794	S	S	*	*			trans	10.7	132.2	148.2	-63.4	178.5	170.9	170.5	-3.6	119.8
1107	S	25.3	Very low	27.2	Very low	106 Å²	106	148.7 Å²	148.7	74%	0.741	79%	0.791	S	S	*	*			trans	54	86.9	141	62.5	0	0	0	0	119
1108	F	26.3	Very low	27	Very low	203 Å²	203	154.9 Å²	154.9	89%	0.89	80%	0.802	S	S	*	*			trans	-130.2	112.8	144.2	-91.3	-83.8	0	0	0	110.6
1109	Y	24.2	Very low	26.7	Very low	221 Å²	221	157.2 Å²	157.2	87%	0.867	81%	0.805	S	S	*	*			trans	-78.7	141.8	159.7	-101.9	-97.6	0	0	0	108.3
1110	H	27.6	Very low	26.6	Very low	122 Å²	122	158.4 Å²	158.4	57%	0.565	81%	0.808	S	S	*	*			trans	-151	104.7	155.4	-119.5	-51.6	0	0	0	113.7	T1068	T1068-H1110 PolarHBondContact OG1-CE1 3.11Å
1111	H	28.6	Very low	26.4	Very low	198 Å²	198	157.5 Å²	157.5	92%	0.917	80%	0.803	S	S	*	*			trans	42.7	0	168.1	-79.8	-49.7	0	0	0	120	T1068 T1070	T1068-H1111 PolarHBondContact OG1-CD2 3.46Å; T1068-H1111 PolarHBondContact OG1-NE2 2.82Å; T1070-H1111 HydrophobicContact CG2-CB 4.25Å

Retrieved 1,111 of 1,111 residues in 222.5 ms (Link to these results)

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