A0A3Q0KJE0_SCHMA Loading...

116 kDa U5 small nuclear ribonucleoprotein component

Required for pre-mRNA splicing as component of the spliceosome, including pre-catalytic, catalytic and post-catalytic spliceosomal complexes. Component of the U5 snRNP and the U4/U6-U5 tri-snRNP complex, a building block of the spliceosome. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A3Q0KJE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 982 aa.

						>A0A3Q0KJE0_SCHMA|A0A3Q0KJE0
MDTDLYDEFGNYIGPDLLSDEEVEDDVNSVDDEGAEEEDMAQDAVNHIETNDVQEESLAVILHEDKKYYPSALEVYGPEVETLVQEEDAQPLTQPLIEPVRRKKFAYTEASIPTTTYDPEFLTDLMDCPELIRNVVLCGHLHHGKTSFMDCLIELTHPDIEAKEDKNLRYTDFLHMEVERGLSIKSTPVSLVLRSMQEKSYLFNIFDTPGHVNFSDEVTAAFRLADGICLLVDVSEGVLLNTERILKHALQERLPVTLCINKIDRLIIELKLPPMDAYYKIKHIIDEVNSILLTYSEGAGITDDTQPVVSPLLGNVCFASTYYRFCFTLESFARIYMDTFSNGMDHKEFAGRLWGDIYFNSKTRRFQKRPPSANSQRTFVDFILEPLYKIFAQTVGDVDTCLPSLCSELGIYLTKSEMKLNIRPLLRLIFRRFFGDFSGFVNMCAEHIPSPSNSAATKVGSTYTGTLDNNLGRAMIKCNMNYEHVMVHTTKLYPDQEAISFHVFGRVLCGTLFAGQTVRVLGENYTLSDEEDSRPATVGRLWVSVARYQLEVNRVPAGNWVLIEGIDHPIVKTATITSADARGAYIFRPLNFNTSSVVKIAVEPANPSELPKLLDGLRKVNKSYPLLATKVEESGERVIRGTGELYLDCVMHDLRKLYSDIDVKVADPVVAFCETVVETSSLKCFAETPNKKNKLTMIAEPLDKGLAEDIENKVVQITWPKKRLGDFFQKKYDWDLLASRSIWAFGPDATGPNILMDDTLPSEVDKNLLLTVKDYIVQGFQWGTREGPLCDEPIRNVKFKILDALISGEAHQRGSGQIIPTARRVAYSAFLMATPRLMEPYYLVEVQAPADCVSAVYTVLARRRGHVTHDAPISGSPLYVIRAFVPVIDSFGFETDLRTHSQGQAFCMLVFNHWQMVPGDPLDRSIQIQPLVPQPATHLAREFMVKTRRRKGLNEDVSINKFFDDPMLLELAKQDVMLNYAL
					

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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	45.1	Very low	65.5	Low	236 Å²	236	119 Å²	119	100%	1.163	62%	0.622	S	S	*	*				0	107.7	0	-68.7	-162.5	-159.3	0	0	106.2	T3	M1-T3 PolarHBondContact O-N 3.24Å
2	D	50	Low	66.6	Low	125 Å²	125	117.5 Å²	117.5	67%	0.668	60%	0.603	S	S	*	*			trans	-70.1	118.3	-178	-68.5	-31.6	0	0	0	109.4	D4 L5	D2-D4 PolarHBondContact O-N 3.29Å; D2-D4 VanDerWaalsContact O-N 3.08Å; D2-L5 HydrophobicContact CB-CD1 4.38Å; D2-L5 PolarHBondContact O-N 2.82Å
3	T	59.6	Low	67.3	Low	122 Å²	122	117 Å²	117	75%	0.748	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-61.8	-10.6	178.7	32.1	0	0	0	0	113.7	M1	M1-T3 PolarHBondContact O-N 3.24Å
4	D	70.7	Confident	67.7	Low	146 Å²	146	109.7 Å²	109.7	78%	0.781	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-89	-5.6	-174	-59.9	-12.4	0	0	0	113.2	D2	D2-D4 PolarHBondContact O-N 3.29Å; D2-D4 VanDerWaalsContact O-N 3.08Å
5	L	70.6	Confident	67.6	Low	65 Å²	65	109.7 Å²	109.7	34%	0.34	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-94.4	1.3	-179.8	-70.9	168.4	0	0	0	114	D2 Y12 I13	D2-L5 HydrophobicContact CB-CD1 4.38Å; D2-L5 PolarHBondContact O-N 2.82Å; L5-Y12 HydrophobicContact CB-CE2 4.18Å; L5-I13 PolarHBondContact O-N 3.16Å
6	Y	75.7	Confident	66.6	Low	125 Å²	125	113.1 Å²	113.1	49%	0.49	60%	0.597	S	S	.	*	B	Isolated β-bridge	trans	-129.3	139.8	-177.9	-69	-93.5	0	0	0	110.4	N11 Y12	Y6-N11 CarbonylContact C-O 3.47Å; Y6-N11 VanDerWaalsContact CA-O 3.27Å; Y6-N11 WeakPolarHBondContact CA-O 3.3Å; Y6-Y12 AromaticContact CE1-CD2 3.96Å; Y6-Y12 HydrophobicContact CE1-CD2 3.96Å; Y6-Y12 HydrophobicContact CE1-CG 4.48Å; Y6-Y12 HydrophobicContact CE2-CD2 4.06Å; Y6-Y12 AromaticContact CZ-CD2 3.69Å
7	D	82.6	Confident	65.8	Low	53 Å²	53	114.8 Å²	114.8	28%	0.283	61%	0.606	S	S	.	*			trans	-78.8	173.8	176.1	74.5	6.6	0	0	0	111.7	F9 G10 N11 I13	D7-F9 PolarHBondContact O-N 3.02Å; D7-F9 VanDerWaalsContact OD1-C 3.23Å; D7-F9 VanDerWaalsContact OD1-CA 3.26Å; D7-F9 WeakPolarHBondContact OD1-CA 3.47Å; D7-F9 WeakPolarHBondContact OD1-CB 3.5Å; D7-F9 PolarHBondContact OD1-N 3.22Å; D7-G10 PolarHBondContact O-N 3.47Å; D7-G10 PolarHBondContact OD1-N 3.21Å; D7-N11 PolarHBondContact N-O 2.95Å; D7-N11 WeakPolarHBondContact OD1-CB 3.4Å; D7-N11 PolarHBondContact OD1-N 3.3Å; D7-N11 PolarHBondContact OD1-ND2 3.16Å; D7-N11 PolarHBondContact OD2-ND2 3.05Å; D7-I13 HydrophobicContact CB-CD1 3.5Å; D7-I13 VanDerWaalsContact CB-CD1 3.5Å; D7-I13 HydrophobicContact CB-CG1 3.87Å
8	E	68.5	Low	64.6	Low	157 Å²	157	117.7 Å²	117.7	73%	0.734	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-11.6	178.4	-50.4	177.4	-157.8	0	0	113.1	L931	E8-L931 WeakPolarHBondContact OE1-CD1 3.29Å; E8-L931 WeakPolarHBondContact OE2-CD1 3.39Å
9	F	60	Low	63.1	Low	137 Å²	137	117 Å²	117	60%	0.601	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	1.6	178	-56.2	-76.4	0	0	0	112.6	D7 L931	D7-F9 PolarHBondContact O-N 3.02Å; D7-F9 VanDerWaalsContact OD1-C 3.23Å; D7-F9 VanDerWaalsContact OD1-CA 3.26Å; D7-F9 WeakPolarHBondContact OD1-CA 3.47Å; D7-F9 WeakPolarHBondContact OD1-CB 3.5Å; D7-F9 PolarHBondContact OD1-N 3.22Å; F9-L931 HydrophobicContact CE2-CD2 4.2Å; F9-L931 HydrophobicContact CZ-CD2 4Å
10	G	66.2	Low	61.8	Low	54 Å²	54	119.5 Å²	119.5	56%	0.557	64%	0.639	S	S	*	*	S	Bend	trans	81.9	12	179.4	0	0	0	0	0	114.8	D7	D7-G10 PolarHBondContact O-N 3.47Å; D7-G10 PolarHBondContact OD1-N 3.21Å
11	N	71.6	Confident	60.8	Low	89 Å²	89	122.4 Å²	122.4	48%	0.476	65%	0.649	S	S	.	*			trans	-83.6	138.6	176.2	-52.9	-51.6	0	0	0	110.4	Y6 D7 I13	Y6-N11 CarbonylContact C-O 3.47Å; Y6-N11 VanDerWaalsContact CA-O 3.27Å; Y6-N11 WeakPolarHBondContact CA-O 3.3Å; D7-N11 PolarHBondContact N-O 2.95Å; D7-N11 WeakPolarHBondContact OD1-CB 3.4Å; D7-N11 PolarHBondContact OD1-N 3.3Å; D7-N11 PolarHBondContact OD1-ND2 3.16Å; D7-N11 PolarHBondContact OD2-ND2 3.05Å; N11-I13 PolarHBondContact O-N 3.41Å
12	Y	78	Confident	60.2	Low	101 Å²	101	120 Å²	120	40%	0.396	64%	0.635	S	S	.	*	B	Isolated β-bridge	trans	-69.1	124.6	173.1	-176.1	-106.5	0	0	0	110.3	L5 Y6 G14	L5-Y12 HydrophobicContact CB-CE2 4.18Å; Y6-Y12 AromaticContact CE1-CD2 3.96Å; Y6-Y12 HydrophobicContact CE1-CD2 3.96Å; Y6-Y12 HydrophobicContact CE1-CG 4.48Å; Y6-Y12 HydrophobicContact CE2-CD2 4.06Å; Y6-Y12 AromaticContact CZ-CD2 3.69Å; Y12-G14 VanDerWaalsContact CE1-CA 3.46Å
13	I	76.8	Confident	59.6	Low	111 Å²	111	120 Å²	120	57%	0.569	64%	0.639	S	S	*	*			trans	-109.5	11.1	179.5	-17.9	172.5	0	0	0	112.2	L5 D7 N11	L5-I13 PolarHBondContact O-N 3.16Å; D7-I13 HydrophobicContact CB-CD1 3.5Å; D7-I13 VanDerWaalsContact CB-CD1 3.5Å; D7-I13 HydrophobicContact CB-CG1 3.87Å; N11-I13 PolarHBondContact O-N 3.41Å
14	G	72.2	Confident	58.3	Low	15 Å²	15	122.8 Å²	122.8	16%	0.155	64%	0.644	C	S	.	*	S	Bend	trans	-72.2	163.1	178.4	0	0	0	0	0	112.9	Y12	Y12-G14 VanDerWaalsContact CE1-CA 3.46Å
15	P	66	Low	56.6	Low	109 Å²	109	122.5 Å²	122.5	71%	0.708	64%	0.643	S	S	*	*	S	Bend	trans	-57.8	145.8	175.1	25.4	-32.6	0	0	0	110.7	L17	P15-L17 PolarHBondContact O-N 3.33Å; P15-L17 VanDerWaalsContact O-N 3.08Å
16	D	52.5	Low	54.8	Low	164 Å²	164	126.6 Å²	126.6	88%	0.877	67%	0.665	S	S	*	*			trans	-45.8	117.2	-179.1	-68	-37.4	0	0	0	110.5	L18	D16-L18 PolarHBondContact O-N 2.75Å; D16-L18 VanDerWaalsContact O-N 3.15Å
17	L	52.3	Low	52.8	Low	143 Å²	143	127 Å²	127	75%	0.749	68%	0.68	S	S	*	*			trans	-59.1	120.2	169	-75.6	158.7	0	0	0	106.7	P15 S19	P15-L17 PolarHBondContact O-N 3.33Å; P15-L17 VanDerWaalsContact O-N 3.08Å; L17-S19 PolarHBondContact O-N 2.86Å
18	L	43.4	Very low	50.6	Low	166 Å²	166	130.9 Å²	130.9	87%	0.869	70%	0.7	S	S	*	*			trans	-52.5	114.4	168.8	-74.1	162.8	0	0	0	106.6	D16 D20	D16-L18 PolarHBondContact O-N 2.75Å; D16-L18 VanDerWaalsContact O-N 3.15Å; L18-D20 PolarHBondContact O-N 2.83Å; L18-D20 VanDerWaalsContact O-N 3.16Å
19	S	37.2	Very low	48.9	Very low	105 Å²	105	128 Å²	128	73%	0.734	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-48.6	121.1	174.2	49.9	0	0	0	0	108.6	L17 E21	L17-S19 PolarHBondContact O-N 2.86Å; S19-E21 PolarHBondContact O-N 3.02Å; S19-E21 VanDerWaalsContact O-N 3.14Å
20	D	37.8	Very low	47.7	Very low	166 Å²	166	128.2 Å²	128.2	89%	0.888	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-48.7	121	171.7	-74.2	-39.9	0	0	0	108.9	L18	L18-D20 PolarHBondContact O-N 2.83Å; L18-D20 VanDerWaalsContact O-N 3.16Å
21	E	39.8	Very low	46.3	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-57.7	135.4	175	-68.4	178.4	155.5	0	0	109.5	S19 V23	S19-E21 PolarHBondContact O-N 3.02Å; S19-E21 VanDerWaalsContact O-N 3.14Å; E21-V23 PolarHBondContact O-N 3.42Å
22	E	33.1	Very low	44.5	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	74%	0.736	S	S	*	*			trans	-32.8	108.7	174	-64.1	168.5	158.8	0	0	113.2	E24	E22-E24 PolarHBondContact O-N 3.1Å
23	V	36.1	Very low	42.5	Very low	125 Å²	125	139.5 Å²	139.5	76%	0.758	76%	0.758	S	S	*	*			trans	-85.1	103.6	160.3	-177.6	0	0	0	0	106.8	E21 D25	E21-V23 PolarHBondContact O-N 3.42Å; V23-D25 PolarHBondContact O-N 2.78Å; V23-D25 VanDerWaalsContact O-N 3.15Å
24	E	34.1	Very low	40.3	Very low	180 Å²	180	137.7 Å²	137.7	84%	0.841	77%	0.767	S	S	*	*			trans	-65.1	101.5	167.9	-70.8	-177.2	151	0	0	109.4	E22 D26	E22-E24 PolarHBondContact O-N 3.1Å; E24-D26 PolarHBondContact O-N 2.99Å
25	D	33.4	Very low	38.4	Very low	141 Å²	141	141 Å²	141	75%	0.754	79%	0.794	S	S	*	*			trans	-82.2	99.1	166.2	-84.2	-29.6	0	0	0	110	V23 V27	V23-D25 PolarHBondContact O-N 2.78Å; V23-D25 VanDerWaalsContact O-N 3.15Å; D25-V27 PolarHBondContact O-N 2.86Å; D25-V27 VanDerWaalsContact O-N 3.08Å
26	D	34.4	Very low	36.9	Very low	151 Å²	151	145 Å²	145	81%	0.807	80%	0.803	S	S	*	*			trans	-65.7	94.4	165.5	-108	-24.2	0	0	0	110	E24 N28	E24-D26 PolarHBondContact O-N 2.99Å; D26-N28 PolarHBondContact O-N 3.25Å
27	V	33.3	Very low	36	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	80%	0.801	S	S	*	*			trans	-91.3	86.1	168.1	-174.5	0	0	0	0	108.9	D25	D25-V27 PolarHBondContact O-N 2.86Å; D25-V27 VanDerWaalsContact O-N 3.08Å
28	N	35.6	Very low	35.1	Very low	134 Å²	134	147.3 Å²	147.3	72%	0.717	81%	0.805	S	S	*	*			trans	-97.3	101.4	159.9	-88	-42.6	0	0	0	109.8	D26	D26-N28 PolarHBondContact O-N 3.25Å
29	S	33.5	Very low	34.6	Very low	97 Å²	97	145.7 Å²	145.7	68%	0.678	80%	0.796	S	S	*	*			trans	22.4	110.8	144.9	59.5	0	0	0	0	118.2
30	V	33.6	Very low	34.3	Very low	142 Å²	142	148.9 Å²	148.9	86%	0.861	80%	0.802	S	S	*	*			trans	-109.5	105.4	155.1	-176.6	0	0	0	0	107.4
31	D	37.4	Very low	34	Very low	156 Å²	156	145 Å²	145	83%	0.834	79%	0.793	S	S	*	*			trans	-83.6	117.1	159.3	-80.3	-33.2	0	0	0	108.1
32	D	33.5	Very low	33.7	Very low	140 Å²	140	144.6 Å²	144.6	75%	0.749	79%	0.791	S	S	*	*			trans	26.8	149.8	133.8	-137	-4.7	0	0	0	122.3
33	E	36.5	Very low	33.7	Very low	184 Å²	184	142.6 Å²	142.6	86%	0.86	79%	0.786	S	S	*	*			trans	74.9	126.3	169.2	-48.2	-177.5	177.5	0	0	115.5
34	G	31.4	Very low	33.5	Very low	73 Å²	73	141 Å²	141	75%	0.753	79%	0.786	S	S	*	*			cis	154.1	152.5	13.2	0	0	0	0	0	107.2
35	A	31.8	Very low	33.5	Very low	86 Å²	86	138.7 Å²	138.7	71%	0.711	78%	0.784	S	S	*	*			trans	71.2	118.9	156	0	0	0	0	0	121
36	E	35.2	Very low	33.5	Very low	192 Å²	192	139.2 Å²	139.2	90%	0.897	79%	0.787	S	S	*	*				96	128.8	125.1	-70.9	169.2	-162.9	0	0	121.2
37	E	33.2	Very low	33.4	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	79%	0.786	S	S	*	*			trans	-58.6	151.2	171.9	-61.9	164.6	144.3	0	0	112.5
38	E	32.8	Very low	33.6	Very low	175 Å²	175	141 Å²	141	82%	0.818	79%	0.785	S	S	*	*				163.8	126.8	124.7	-88.4	177.9	179.8	0	0	112.6
39	D	33.3	Very low	33.6	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	79%	0.788	S	S	*	*			trans	65.8	109.1	138	-67.7	-19.6	0	0	0	124.1
40	M	31.3	Very low	33.6	Very low	172 Å²	172	143.7 Å²	143.7	85%	0.847	79%	0.791	S	S	*	*				32.2	124.5	121.8	-69.2	-157.3	-75.2	0	0	121.2
41	A	31.4	Very low	33.6	Very low	85 Å²	85	144.2 Å²	144.2	70%	0.702	79%	0.789	S	S	*	*			trans	80.8	114.8	140.8	0	0	0	0	0	118.5
42	Q	32.4	Very low	33.4	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	79%	0.789	S	S	*	*				172.6	139.9	110.3	-93	162.9	12.9	0	0	113.7
43	D	34.4	Very low	33.5	Very low	143 Å²	143	143.5 Å²	143.5	77%	0.765	79%	0.789	S	S	*	*			trans	79.8	100.9	149.1	-54.6	-19.6	0	0	0	119.9
44	A	31.5	Very low	33.3	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	79%	0.788	S	S	*	*				71.8	87.1	66.6	0	0	0	0	0	115.2
45	V	34	Very low	33.6	Very low	132 Å²	132	148.3 Å²	148.3	80%	0.8	79%	0.792	S	S	*	*			trans	-153.7	97.7	142.9	-166.1	0	0	0	0	110.2
46	N	33.8	Very low	34	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	80%	0.795	S	S	*	*			trans	161.3	72.6	134.3	-83	-27.7	0	0	0	111.3
47	H	32.1	Very low	34.3	Very low	170 Å²	170	147.5 Å²	147.5	79%	0.787	78%	0.784	S	S	*	*			trans	-81	114.5	146.9	-95.8	-71.7	0	0	0	107.7
48	I	37.1	Very low	35.1	Very low	152 Å²	152	146.8 Å²	146.8	78%	0.779	79%	0.785	S	S	*	*			trans	-139.5	103	137.8	-62.1	-173.3	0	0	0	106.7
49	E	35.8	Very low	36.7	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	77%	0.774	S	S	*	*			trans	-61.6	126.2	157.5	-66	174.8	150.7	0	0	108.8
50	T	34.1	Very low	38.8	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	78%	0.777	S	S	*	*			trans	-157.5	104.2	140	31.2	0	0	0	0	108.7
51	N	32.1	Very low	40.9	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	77%	0.766	S	S	*	*			trans	19.5	104.9	145.5	-65.5	-23.3	0	0	0	116.8
52	D	34.6	Very low	43.5	Very low	159 Å²	159	139.4 Å²	139.4	85%	0.85	76%	0.755	S	S	*	*			trans	-141	96.1	140.9	-90.8	-35.9	0	0	0	109.3
53	V	35	Very low	46.1	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	75%	0.749	S	S	*	*			trans	31.8	113.6	145.5	-166.7	0	0	0	0	116.8	E55	V53-E55 VanDerWaalsContact C-N 3.35Å; V53-E55 PolarHBondContact O-N 3.06Å
54	Q	32.8	Very low	48.7	Very low	178 Å²	178	139 Å²	139	83%	0.832	75%	0.748	S	S	*	*			trans	-42	94.7	153.1	-67.4	163.9	-30.7	0	0	110.4	E56	Q54-E56 PolarHBondContact O-N 3.09Å; Q54-E56 VanDerWaalsContact O-N 3.11Å
55	E	37.4	Very low	51.2	Low	180 Å²	180	139.6 Å²	139.6	84%	0.841	74%	0.739	S	S	*	*			trans	-74.8	92.1	149.2	-79.1	-170	167	0	0	105.4	V53 S57	V53-E55 VanDerWaalsContact C-N 3.35Å; V53-E55 PolarHBondContact O-N 3.06Å; E55-S57 PolarHBondContact O-N 2.88Å
56	E	39.4	Very low	53.8	Low	165 Å²	165	138.5 Å²	138.5	77%	0.771	72%	0.723	S	S	*	*			trans	-53.5	83.4	151.9	-71.4	-178.7	161.4	0	0	106.4	Q54 L58	Q54-E56 PolarHBondContact O-N 3.09Å; Q54-E56 VanDerWaalsContact O-N 3.11Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.21Å
57	S	41.9	Very low	56.2	Low	95 Å²	95	140.6 Å²	140.6	66%	0.664	73%	0.725	S	S	*	*			trans	-60.6	106.2	168.2	61	0	0	0	0	104.8	E55 A59	E55-S57 PolarHBondContact O-N 2.88Å; S57-A59 PolarHBondContact O-N 2.99Å
58	L	50	Low	58.9	Low	167 Å²	167	138.8 Å²	138.8	87%	0.874	71%	0.712	S	S	*	*			trans	-63.6	44.8	162.5	-77.7	159.1	0	0	0	109.7	E56 V60	E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.21Å; L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 3.33Å
59	A	66.7	Low	61.4	Low	71 Å²	71	141.1 Å²	141.1	59%	0.587	71%	0.713	S	S	*	*			trans	-66.7	99.9	169.5	0	0	0	0	0	105.7	S57 I61	S57-A59 PolarHBondContact O-N 2.99Å; A59-I61 PolarHBondContact O-N 2.91Å
60	V	76	Confident	63.8	Low	127 Å²	127	136.7 Å²	136.7	77%	0.77	70%	0.699	S	S	*	*			trans	-59.2	111.5	174	175.6	0	0	0	0	107	L58 L62	L58-V60 VanDerWaalsContact C-N 3.34Å; L58-V60 PolarHBondContact O-N 3.33Å; V60-L62 PolarHBondContact O-N 2.88Å
61	I	75.9	Confident	66.4	Low	118 Å²	118	133.7 Å²	133.7	61%	0.605	68%	0.683	S	S	*	*			trans	-69.4	118	167.4	-58.3	166.9	0	0	0	106	A59 D65 K66	A59-I61 PolarHBondContact O-N 2.91Å; I61-D65 HydrophobicContact CG2-CB 4.1Å; I61-K66 HydrophobicContact CG2-CB 4.2Å
62	L	87.5	Confident	69	Low	91 Å²	91	128.6 Å²	128.6	48%	0.476	66%	0.661	S	S	.	*			trans	-58	151.4	174.6	-65.5	169	0	0	0	109.2	V60 E64 D65 K66	V60-L62 PolarHBondContact O-N 2.88Å; L62-E64 HydrophobicContact CB-CG 3.88Å; L62-E64 PolarHBondContact O-N 3.4Å; L62-D65 PolarHBondContact O-N 2.81Å; L62-D65 VanDerWaalsContact O-N 3.1Å; L62-K66 PolarHBondContact O-N 2.92Å; L62-K66 VanDerWaalsContact O-N 3.17Å
63	H	86.7	Confident	71.6	Confident	148 Å²	148	125.9 Å²	125.9	69%	0.685	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-33	-178.1	-178.8	41.6	0	0	0	112.3	K66 Y68	H63-K66 WeakPolarHBondContact O-CB 3.37Å; H63-K66 PolarHBondContact O-N 3.5Å; H63-Y68 PolarHBondContact CE1-OH 3.47Å; H63-Y68 PolarHBondContact ND1-OH 2.94Å
64	E	87.9	Confident	74	Confident	160 Å²	160	126.9 Å²	126.9	75%	0.748	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-35.6	176.4	60.1	-162.4	148.1	0	0	113.5	L62 K66	L62-E64 HydrophobicContact CB-CG 3.88Å; L62-E64 PolarHBondContact O-N 3.4Å; E64-K66 VanDerWaalsContact C-N 3.32Å
65	D	85.1	Confident	76.8	Confident	103 Å²	103	122.5 Å²	122.5	55%	0.551	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	2	-179.6	-63	-39.8	0	0	0	113.1	I61 L62 K67	I61-D65 HydrophobicContact CG2-CB 4.1Å; L62-D65 PolarHBondContact O-N 2.81Å; L62-D65 VanDerWaalsContact O-N 3.1Å; D65-K67 PolarHBondContact O-N 2.91Å
66	K	88	Confident	79.2	Confident	110 Å²	110	121 Å²	121	48%	0.478	62%	0.616	S	S	.	*			trans	-71.7	93.4	-179.2	-169.8	163.9	-178	170.6	0	110	I61 L62 H63 E64 Y68	I61-K66 HydrophobicContact CG2-CB 4.2Å; L62-K66 PolarHBondContact O-N 2.92Å; L62-K66 VanDerWaalsContact O-N 3.17Å; H63-K66 WeakPolarHBondContact O-CB 3.37Å; H63-K66 PolarHBondContact O-N 3.5Å; E64-K66 VanDerWaalsContact C-N 3.32Å; K66-Y68 HydrophobicContact CB-CE2 4.05Å; K66-Y68 HydrophobicContact CD-CE1 3.94Å; K66-Y68 HydrophobicContact CD-CE2 4.35Å; K66-Y68 HydrophobicContact CG-CD2 4.39Å; K66-Y68 HydrophobicContact CG-CE1 4.17Å; K66-Y68 HydrophobicContact CG-CE2 4.01Å; K66-Y68 WeakPolarHBondContact O-CD2 3.49Å; K66-Y68 WeakPolarHBondContact O-CE2 3.36Å; K66-Y68 PolarHBondContact O-N 2.92Å
67	K	83.9	Confident	81.5	Confident	195 Å²	195	114.2 Å²	114.2	85%	0.848	59%	0.59	S	S	*	*			trans	-68.1	102.1	168.4	-66.9	-175.8	-179.5	-179.2	0	109.6	D65 Y69	D65-K67 PolarHBondContact O-N 2.91Å; K67-Y69 VanDerWaalsContact C-N 3.35Å
68	Y	88	Confident	83.7	Confident	133 Å²	133	115.7 Å²	115.7	52%	0.522	60%	0.597	S	S	.	*			trans	-75.1	-26	177.7	-70	-86.1	0	0	0	113	H63 K66	H63-Y68 PolarHBondContact CE1-OH 3.47Å; H63-Y68 PolarHBondContact ND1-OH 2.94Å; K66-Y68 HydrophobicContact CB-CE2 4.05Å; K66-Y68 HydrophobicContact CD-CE1 3.94Å; K66-Y68 HydrophobicContact CD-CE2 4.35Å; K66-Y68 HydrophobicContact CG-CD2 4.39Å; K66-Y68 HydrophobicContact CG-CE1 4.17Å; K66-Y68 HydrophobicContact CG-CE2 4.01Å; K66-Y68 WeakPolarHBondContact O-CD2 3.49Å; K66-Y68 WeakPolarHBondContact O-CE2 3.36Å; K66-Y68 PolarHBondContact O-N 2.92Å
69	Y	89.7	Confident	85.5	Confident	200 Å²	200	116.8 Å²	116.8	78%	0.784	60%	0.598	S	S	*	*	S	Bend	trans	-127.8	142.1	-175	-57.6	-71.5	0	0	0	110.4	K67	K67-Y69 VanDerWaalsContact C-N 3.35Å
70	P	87.8	Confident	86.4	Confident	77 Å²	77	116.7 Å²	116.7	50%	0.5	59%	0.59	S	S	.	*			trans	-61.3	157.4	170.4	25.8	-32	0	0	0	110.6	E74 V75	P70-E74 WeakPolarHBondContact CA-OE2 3.29Å; P70-E74 HydrophobicContact CB-CB 4.18Å; P70-E74 WeakPolarHBondContact CB-OE2 3.19Å; P70-V75 HydrophobicContact CB-CG2 4.34Å; P70-V75 HydrophobicContact CG-CG2 3.82Å
71	S	87.8	Confident	87.1	Confident	56 Å²	56	118.1 Å²	118.1	39%	0.392	59%	0.588	S	S	.	*			trans	-65.9	152.9	179.9	71.7	0	0	0	0	111.1	L73 E74 V75	S71-L73 PolarHBondContact O-N 3.39Å; S71-E74 PolarHBondContact N-OE2 3.41Å; S71-E74 WeakPolarHBondContact O-CB 3.4Å; S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 VanDerWaalsContact OG-CG 3.3Å; S71-E74 WeakPolarHBondContact OG-CG 3.33Å; S71-E74 PolarHBondContact OG-N 2.81Å; S71-V75 PolarHBondContact O-N 2.91Å; S71-V75 VanDerWaalsContact O-N 3.13Å
72	A	87.2	Confident	87.5	Confident	45 Å²	45	114.9 Å²	114.9	37%	0.372	57%	0.574	S	S	.	*	H	α-helix	trans	-57.3	-33.6	178.2	0	0	0	0	0	111.8	V75 Y76 T82	A72-V75 PolarHBondContact O-N 2.94Å; A72-Y76 VanDerWaalsContact O-CD2 3.3Å; A72-Y76 WeakPolarHBondContact O-CD2 3.43Å; A72-Y76 PolarHBondContact O-N 3.17Å; A72-T82 HydrophobicContact CB-CG2 3.83Å
73	L	88	Confident	87.5	Confident	103 Å²	103	116.3 Å²	116.3	54%	0.539	58%	0.581	S	S	.	*	H	α-helix	trans	-64.2	-38.9	174.2	-166.5	75.2	0	0	0	112.7	S71 V75 G77	S71-L73 PolarHBondContact O-N 3.39Å; L73-V75 VanDerWaalsContact C-N 3.31Å; L73-G77 VanDerWaalsContact O-CA 3.22Å; L73-G77 WeakPolarHBondContact O-CA 3.39Å; L73-G77 PolarHBondContact O-N 3.37Å
74	E	87	Confident	87.5	Confident	142 Å²	142	114.9 Å²	114.9	66%	0.664	58%	0.583	S	S	*	*	H	α-helix	trans	-69.5	-29.7	176	-74.8	163.5	-171.2	0	0	112.5	P70 S71	P70-E74 WeakPolarHBondContact CA-OE2 3.29Å; P70-E74 HydrophobicContact CB-CB 4.18Å; P70-E74 WeakPolarHBondContact CB-OE2 3.19Å; S71-E74 PolarHBondContact N-OE2 3.41Å; S71-E74 WeakPolarHBondContact O-CB 3.4Å; S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 VanDerWaalsContact OG-CG 3.3Å; S71-E74 WeakPolarHBondContact OG-CG 3.33Å; S71-E74 PolarHBondContact OG-N 2.81Å
75	V	90.3	Very high	87.5	Confident	87 Å²	87	115.3 Å²	115.3	53%	0.527	59%	0.585	S	S	.	*	H	α-helix	trans	-77.9	-45.3	-179.3	176.5	0	0	0	0	111.8	P70 S71 A72 L73	P70-V75 HydrophobicContact CB-CG2 4.34Å; P70-V75 HydrophobicContact CG-CG2 3.82Å; S71-V75 PolarHBondContact O-N 2.91Å; S71-V75 VanDerWaalsContact O-N 3.13Å; A72-V75 PolarHBondContact O-N 2.94Å; L73-V75 VanDerWaalsContact C-N 3.31Å
76	Y	89.1	Confident	87.8	Confident	149 Å²	149	119 Å²	119	58%	0.584	60%	0.599	S	S	*	*	H	α-helix	trans	-99.8	-15.6	-173.5	-63.5	-74.2	0	0	0	114	A72 V80 T82	A72-Y76 VanDerWaalsContact O-CD2 3.3Å; A72-Y76 WeakPolarHBondContact O-CD2 3.43Å; A72-Y76 PolarHBondContact O-N 3.17Å; Y76-V80 HydrophobicContact CG-CG1 4.43Å; Y76-T82 HydrophobicContact CD2-CG2 3.62Å; Y76-T82 HydrophobicContact CE2-CG2 4.3Å; Y76-T82 HydrophobicContact CG-CG2 4.32Å
77	G	86.5	Confident	87.7	Confident	21 Å²	21	122 Å²	122	22%	0.216	62%	0.615	C	S	.	*			trans	82	172	-177.1	0	0	0	0	0	113.3	L73 E79 V80	L73-G77 VanDerWaalsContact O-CA 3.22Å; L73-G77 WeakPolarHBondContact O-CA 3.39Å; L73-G77 PolarHBondContact O-N 3.37Å; G77-E79 PolarHBondContact O-N 3.48Å; G77-V80 PolarHBondContact O-N 2.97Å
78	P	88	Confident	87.9	Confident	126 Å²	126	120 Å²	120	82%	0.818	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-13	-177.4	29.1	-35.2	0	0	0	113.8	V80	P78-V80 VanDerWaalsContact C-N 3.31Å
79	E	88	Confident	87.7	Confident	191 Å²	191	119.1 Å²	119.1	89%	0.893	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-17.8	178.5	-63.6	-176.5	-178.2	0	0	113.2	G77	G77-E79 PolarHBondContact O-N 3.48Å
80	V	86.4	Confident	87.6	Confident	68 Å²	68	113.1 Å²	113.1	41%	0.412	61%	0.613	S	S	.	*	S	Bend	trans	-111.9	112.8	-176.1	-178	0	0	0	0	109.6	Y76 G77 P78 T82	Y76-V80 HydrophobicContact CG-CG1 4.43Å; G77-V80 PolarHBondContact O-N 2.97Å; P78-V80 VanDerWaalsContact C-N 3.31Å; V80-T82 PolarHBondContact O-N 3.28Å; V80-T82 VanDerWaalsContact O-N 3.11Å
81	E	89.3	Confident	87.6	Confident	158 Å²	158	113.2 Å²	113.2	74%	0.738	61%	0.613	S	S	*	*			trans	-66.6	110.8	171.4	-170	-178.3	-167.7	0	0	109.5	L83	E81-L83 HydrophobicContact CG-CD2 4.11Å; E81-L83 HydrophobicContact CG-CG 4.11Å; E81-L83 PolarHBondContact O-N 3.26Å
82	T	85.2	Confident	87.7	Confident	50 Å²	50	119.2 Å²	119.2	31%	0.307	64%	0.64	S	S	.	*			trans	-93.6	96.9	178.1	30.8	0	0	0	0	109.3	A72 Y76 V80	A72-T82 HydrophobicContact CB-CG2 3.83Å; Y76-T82 HydrophobicContact CD2-CG2 3.62Å; Y76-T82 HydrophobicContact CE2-CG2 4.3Å; Y76-T82 HydrophobicContact CG-CG2 4.32Å; V80-T82 PolarHBondContact O-N 3.28Å; V80-T82 VanDerWaalsContact O-N 3.11Å
83	L	87.4	Confident	87.8	Confident	120 Å²	120	123.2 Å²	123.2	63%	0.628	66%	0.66	S	S	*	*			trans	-87.6	125	175.8	-65.2	173.2	0	0	0	110.6	E81	E81-L83 HydrophobicContact CG-CD2 4.11Å; E81-L83 HydrophobicContact CG-CG 4.11Å; E81-L83 PolarHBondContact O-N 3.26Å
84	V	87.1	Confident	87.8	Confident	119 Å²	119	122.5 Å²	122.5	72%	0.721	65%	0.654	S	S	*	*			trans	-106.9	108.1	170.4	-175.8	0	0	0	0	107.6	E86	V84-E86 HydrophobicContact CG1-CG 4.05Å
85	Q	88.6	Confident	87.9	Confident	169 Å²	169	118.5 Å²	118.5	79%	0.79	64%	0.64	S	S	*	*			trans	-109.8	101.8	176.7	-68.6	-176.1	-17.7	0	0	108.9
86	E	89.4	Confident	87.8	Confident	181 Å²	181	121.9 Å²	121.9	85%	0.846	66%	0.655	S	S	*	*			trans	-86.6	-28.3	179.5	-60	-172.7	162.5	0	0	112.4	V84	V84-E86 HydrophobicContact CG1-CG 4.05Å
87	E	87.9	Confident	87.9	Confident	173 Å²	173	122 Å²	122	81%	0.808	66%	0.663	S	S	*	*	S	Bend	trans	-122.2	146.9	-177.9	-62.4	-173.1	164.8	0	0	111.4
88	D	86.9	Confident	87.9	Confident	151 Å²	151	128 Å²	128	81%	0.807	69%	0.686	S	S	*	*			trans	-70.2	137.3	174.6	-68.3	-33.2	0	0	0	110.4	Q90	D88-Q90 PolarHBondContact O-N 3.5Å; D88-Q90 VanDerWaalsContact O-N 3.17Å
89	A	85.2	Confident	88	Confident	116 Å²	116	125.3 Å²	125.3	96%	0.959	67%	0.668	S	S	*	*	S	Bend	trans	-67.1	-14.7	178.1	0	0	0	0	0	114.1
90	Q	86.2	Confident	87.9	Confident	74 Å²	74	122.9 Å²	122.9	35%	0.346	67%	0.667	S	S	.	*	S	Bend	trans	-138.2	145	-178	66.4	-176.2	5.2	0	0	111.3	D88	D88-Q90 PolarHBondContact O-N 3.5Å; D88-Q90 VanDerWaalsContact O-N 3.17Å
91	P	88.7	Confident	87.3	Confident	78 Å²	78	129.2 Å²	129.2	51%	0.506	68%	0.683	S	S	.	*			trans	-73.2	154.1	178.5	31.2	-35.2	0	0	0	111.7	T93 Q94	P91-T93 PolarHBondContact O-N 3.16Å; P91-Q94 HydrophobicContact CG-CB 4.34Å; P91-Q94 PolarHBondContact O-N 2.66Å
92	L	89.4	Confident	86.7	Confident	182 Å²	182	131.8 Å²	131.8	95%	0.953	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-22.1	177.5	-168.2	69.2	0	0	0	113.8	Q94	L92-Q94 VanDerWaalsContact C-N 3.27Å; L92-Q94 PolarHBondContact O-N 3.37Å
93	T	89.5	Confident	86.3	Confident	130 Å²	130	133.7 Å²	133.7	80%	0.798	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-23.7	176.4	50.7	0	0	0	0	112.8	P91	P91-T93 PolarHBondContact O-N 3.16Å
94	Q	87.6	Confident	86	Confident	88 Å²	88	135.7 Å²	135.7	41%	0.411	69%	0.693	S	S	.	*	S	Bend	trans	-86.8	118.4	175.2	-173.2	171.7	4.6	0	0	109.5	P91 L92	P91-Q94 HydrophobicContact CG-CB 4.34Å; P91-Q94 PolarHBondContact O-N 2.66Å; L92-Q94 VanDerWaalsContact C-N 3.27Å; L92-Q94 PolarHBondContact O-N 3.37Å
95	P	89.1	Confident	86	Confident	58 Å²	58	131.6 Å²	131.6	38%	0.377	67%	0.666	S	S	.	*			trans	-71	140.3	-178.6	30.1	-34.7	0	0	0	111	I97	P95-I97 PolarHBondContact O-N 3.02Å
96	L	88.6	Confident	85.8	Confident	158 Å²	158	124.1 Å²	124.1	83%	0.827	63%	0.633	S	S	*	*	S	Bend	trans	-58.9	-34.9	173.8	-74.6	163.1	0	0	0	113
97	I	90.1	Very high	85.6	Confident	150 Å²	150	121 Å²	121	77%	0.769	62%	0.615	S	S	*	*	S	Bend	trans	-120.1	113.7	174.8	-59.2	173.9	0	0	0	106.9	P95	P95-I97 PolarHBondContact O-N 3.02Å
98	E	87.3	Confident	85.4	Confident	148 Å²	148	115.8 Å²	115.8	69%	0.692	59%	0.594	S	S	*	*			trans	-66	130	-178.9	-67.9	-170.1	166.2	0	0	111.2
99	P	89.7	Confident	85.2	Confident	69 Å²	69	111.5 Å²	111.5	45%	0.448	57%	0.57	S	S	.	*			trans	-68.4	143.4	173.3	28.5	-33.2	0	0	0	109.9	R101	P99-R101 HydrophobicContact CG-CG 4.16Å; P99-R101 PolarHBondContact O-N 3.45Å
100	V	85.6	Confident	84.8	Confident	141 Å²	141	111.4 Å²	111.4	86%	0.855	57%	0.569	S	S	*	*			trans	-66	95.4	173	-176.6	0	0	0	0	109.1
101	R	75.6	Confident	84.7	Confident	200 Å²	200	112.1 Å²	112.1	76%	0.755	58%	0.582	S	S	*	*			trans	-95.7	116	176.8	-68.6	178.3	-179.4	178.4	3.6	109	P99	P99-R101 HydrophobicContact CG-CG 4.16Å; P99-R101 PolarHBondContact O-N 3.45Å
102	R	75.6	Confident	84.6	Confident	212 Å²	212	113 Å²	113	80%	0.8	58%	0.582	S	S	*	*			trans	-90.2	115.6	165.4	-67.9	-173.7	-179.1	-175.2	0.3	108.2	K104	R102-K104 PolarHBondContact O-N 3.38Å
103	K	77.2	Confident	84.5	Confident	90 Å²	90	105.4 Å²	105.4	39%	0.391	54%	0.543	S	S	.	.			trans	-64.9	117.4	172.3	-69.2	-172.2	177.3	-169.2	0	108.3	L657 D660	K103-L657 PolarHBondContact NZ-O 2.96Å; K103-D660 WeakPolarHBondContact CE-OD2 3.47Å; K103-D660 IonicContact NZ-OD1 3Å; K103-D660 PolarHBondContact NZ-OD1 3.06Å; K103-D660 VanDerWaalsContact NZ-OD1 3.11Å; K103-D660 IonicContact NZ-OD2 3.38Å; K103-D660 PolarHBondContact NZ-OD2 3.14Å
104	K	81.3	Confident	84.6	Confident	162 Å²	162	102.9 Å²	102.9	70%	0.704	53%	0.528	S	S	*	.			trans	-122.4	105.9	170.5	-70.7	-171.8	176	-171.4	0	107.3	R102 H175	R102-K104 PolarHBondContact O-N 3.38Å; K104-H175 PolarHBondContact O-CE1 3.41Å; K104-H175 PolarHBondContact O-ND1 3.41Å
105	F	85.7	Confident	84.7	Confident	34 Å²	34	100.3 Å²	100.3	15%	0.149	52%	0.518	C	S	.	.			trans	-110.2	-6.8	176.4	65	-92.2	0	0	0	112.3	L174 H175 P494 D495 Q496 A498 L657	F105-L174 HydrophobicContact CD2-CD2 3.79Å; F105-L174 HydrophobicContact CE2-CD2 3.83Å; F105-H175 PolarHBondContact O-CD2 3.31Å; F105-H175 PolarHBondContact O-N 3.43Å; F105-P494 HydrophobicContact CE2-CG 4.07Å; F105-P494 HydrophobicContact CZ-CB 4.19Å; F105-P494 HydrophobicContact CZ-CG 4.05Å; F105-D495 WeakPolarHBondContact CE1-O 3.49Å; F105-D495 WeakPolarHBondContact CZ-O 3.43Å; F105-Q496 WeakPolarHBondContact CE1-O 3.3Å; F105-A498 HydrophobicContact CD1-CB 4.5Å; F105-A498 HydrophobicContact CE1-CB 3.86Å; F105-A498 HydrophobicContact CZ-CB 4.35Å; F105-L657 HydrophobicContact CB-CD1 3.75Å; F105-L657 HydrophobicContact CD1-CD1 3.28Å; F105-L657 HydrophobicContact CD2-CD1 3.81Å; F105-L657 HydrophobicContact CE1-CD1 3.72Å; F105-L657 HydrophobicContact CE2-CD1 4.22Å; F105-L657 HydrophobicContact CG-CD1 3.32Å; F105-L657 HydrophobicContact CZ-CD1 4.17Å
106	A	86.3	Confident	84.8	Confident	12 Å²	12	101.8 Å²	101.8	10%	0.099	53%	0.526	C	S	.	.	B	Isolated β-bridge	trans	-133.2	141.2	-173.4	0	0	0	0	0	110.5	T108 F173 L174	A106-T108 HydrophobicContact CB-CG2 4.05Å; A106-T108 PolarHBondContact O-N 3.01Å; A106-T108 VanDerWaalsContact O-N 3.16Å; A106-F173 CarbonylContact C-O 3.57Å; A106-F173 WeakPolarHBondContact CA-O 3.14Å; A106-F173 HydrophobicContact CB-CD2 3.75Å; A106-F173 HydrophobicContact CB-CE2 4.03Å; A106-L174 HydrophobicContact CB-CD2 4.25Å
107	Y	85	Confident	84.9	Confident	115 Å²	115	95.4 Å²	95.4	45%	0.451	49%	0.491	S	S	.	.			trans	-79.2	88.2	169	-64.8	-69.3	0	0	0	109.9	F173 H175 V178 R547	Y107-F173 WeakPolarHBondContact CD2-O 3.22Å; Y107-F173 PolarHBondContact N-O 3.18Å; Y107-H175 AromaticContact CD2-CD2 3.86Å; Y107-H175 AromaticContact CE1-NE2 3.86Å; Y107-H175 AromaticContact CE2-CD2 3.5Å; Y107-H175 AromaticContact CZ-CD2 3.63Å; Y107-H175 AromaticContact CZ-NE2 3.85Å; Y107-V178 HydrophobicContact CD2-CG2 4.18Å; Y107-V178 HydrophobicContact CE2-CB 4.32Å; Y107-V178 HydrophobicContact CE2-CG2 3.83Å; Y107-R547 WeakPolarHBondContact O-CG 3.44Å
108	T	83.8	Confident	84.9	Confident	63 Å²	63	92.6 Å²	92.6	39%	0.387	48%	0.478	S	S	.	.			trans	-103.8	141	176.7	57.3	0	0	0	0	111.7	A106 Q496 R547	A106-T108 HydrophobicContact CB-CG2 4.05Å; A106-T108 PolarHBondContact O-N 3.01Å; A106-T108 VanDerWaalsContact O-N 3.16Å; T108-Q496 HydrophobicContact CG2-CG 4.41Å; T108-R547 CarbonylContact C-O 3.6Å; T108-R547 WeakPolarHBondContact CA-O 3.41Å
109	E	82.1	Confident	85	Confident	62 Å²	62	88 Å²	88	29%	0.29	46%	0.461	S	S	.	.			trans	-95.9	126.4	174.9	-69.8	171.2	-164.1	0	0	109.5	Y170 R547	E109-Y170 PolarHBondContact OE1-OH 2.9Å; E109-Y170 PolarHBondContact OE2-OH 2.9Å; E109-R547 HydrophobicContact CG-CB 4.26Å; E109-R547 PolarHBondContact N-O 2.98Å
110	A	77.5	Confident	85.1	Confident	114 Å²	114	91.3 Å²	91.3	94%	0.942	47%	0.47	S	S	*	.	S	Bend	trans	-79.9	-25.9	-178.1	0	0	0	0	0	113.1
111	S	83.7	Confident	85.5	Confident	89 Å²	89	88.7 Å²	88.7	62%	0.622	45%	0.447	S	S	*	.	S	Bend	trans	-110.3	143.8	178.6	55.2	0	0	0	0	110.1	P113	S111-P113 WeakPolarHBondContact O-CD 3.46Å
112	I	86	Confident	86.3	Confident	97 Å²	97	79.2 Å²	79.2	50%	0.497	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66	123.2	174.4	-56.3	167.3	0	0	0	108.4	Y548 L550	I112-Y548 HydrophobicContact CG2-CD2 4.32Å; I112-Y548 HydrophobicContact CG2-CE2 4.07Å; I112-L550 HydrophobicContact CD1-CD2 3.68Å; I112-L550 HydrophobicContact CG1-CD2 3.99Å; I112-L550 HydrophobicContact CG2-CD2 3.96Å
113	P	87.9	Confident	87	Confident	21 Å²	21	71.8 Å²	71.8	14%	0.136	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.4	161.2	177.6	28.3	-34.8	0	0	0	111.7	S111 T115 I160 Y548	S111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-T115 PolarHBondContact O-N 3.38Å; P113-I160 HydrophobicContact CB-CD1 4.4Å; P113-Y548 HydrophobicContact CG-CD1 3.62Å; P113-Y548 HydrophobicContact CG-CE1 3.42Å; P113-Y548 VanDerWaalsContact CG-CE1 3.42Å; P113-Y548 HydrophobicContact CG-CG 4.3Å
114	T	90	Very high	87.8	Confident	78 Å²	78	72.2 Å²	72.2	48%	0.479	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-69.1	132.6	174.4	74.1	0	0	0	0	110	D159	T114-D159 WeakPolarHBondContact CB-OD2 3.23Å; T114-D159 WeakPolarHBondContact CG2-OD2 3.11Å; T114-D159 PolarHBondContact OG1-OD2 3.47Å
115	T	91.5	Very high	88.4	Confident	34 Å²	34	64.9 Å²	64.9	21%	0.209	37%	0.365	C	S	.	.			trans	-120.4	155.6	-178.8	38.2	0	0	0	0	109.9	P113 Y117 T156 H157	P113-T115 PolarHBondContact O-N 3.38Å; T115-Y117 WeakPolarHBondContact CB-O 3.47Å; T115-Y117 PolarHBondContact O-N 3.46Å; T115-Y117 PolarHBondContact OG1-O 3.08Å; T115-T156 CarbonylContact C-O 3.59Å; T115-T156 WeakPolarHBondContact CA-O 3.33Å; T115-H157 VanDerWaalsContact CG2-CD2 3.41Å; T115-H157 WeakPolarHBondContact CG2-CD2 3.37Å; T115-H157 WeakPolarHBondContact CG2-NE2 3.48Å
116	T	89.5	Confident	88.8	Confident	88 Å²	88	63.5 Å²	63.5	54%	0.54	36%	0.359	S	S	.	.	S	Bend	trans	-70.2	-15.3	174.7	51.2	0	0	0	0	113.5	T156 P158	T116-T156 WeakPolarHBondContact CG2-O 3.3Å; T116-T156 PolarHBondContact N-O 2.92Å; T116-T156 PolarHBondContact OG1-O 3.37Å; T116-P158 HydrophobicContact CG2-CG 3.81Å
117	Y	91	Very high	89.1	Confident	24 Å²	24	65 Å²	65	9%	0.094	37%	0.365	C	S	.	.	S	Bend	trans	-122.3	155.3	178	56.2	-95	0	0	0	110.2	T115 L122 T156 V192	T115-Y117 WeakPolarHBondContact CB-O 3.47Å; T115-Y117 PolarHBondContact O-N 3.46Å; T115-Y117 PolarHBondContact OG1-O 3.08Å; Y117-L122 HydrophobicContact CD2-CB 4.45Å; Y117-L122 HydrophobicContact CE2-CB 4.25Å; Y117-L122 HydrophobicContact CE2-CD1 3.77Å; Y117-T156 HydrophobicContact CE1-CG2 4.07Å; Y117-V192 HydrophobicContact CD1-CB 3.67Å; Y117-V192 HydrophobicContact CD1-CG2 4.27Å; Y117-V192 HydrophobicContact CD2-CB 4.11Å; Y117-V192 HydrophobicContact CD2-CG2 3.79Å; Y117-V192 HydrophobicContact CE1-CB 3.86Å; Y117-V192 HydrophobicContact CE1-CG2 4.31Å; Y117-V192 HydrophobicContact CE2-CB 4.31Å; Y117-V192 HydrophobicContact CE2-CG2 3.87Å; Y117-V192 HydrophobicContact CG-CB 3.79Å; Y117-V192 HydrophobicContact CG-CG2 4Å
118	D	91.1	Very high	89.5	Confident	92 Å²	92	62.2 Å²	62.2	49%	0.492	36%	0.362	S	S	.	.			trans	-76.9	134.8	175.3	-158.6	-43.1	0	0	0	110.1	E120 F121 L122	D118-E120 PolarHBondContact O-N 3.31Å; D118-E120 PolarHBondContact OD1-N 3.35Å; D118-E120 VanDerWaalsContact OD1-N 3.12Å; D118-F121 HydrophobicContact CB-CB 4.31Å; D118-F121 WeakPolarHBondContact O-CB 3.49Å; D118-F121 PolarHBondContact O-N 3.39Å; D118-L122 PolarHBondContact O-N 3.34Å
119	P	88.9	Confident	89.9	Confident	51 Å²	51	60.1 Å²	60.1	33%	0.331	35%	0.35	S	S	.	.	H	α-helix	trans	-53.6	-31.8	171	20.9	-34.9	0	0	0	113.7	F121 L122 T123	P119-F121 VanDerWaalsContact C-N 3.32Å; P119-F121 PolarHBondContact O-N 2.96Å; P119-L122 WeakPolarHBondContact O-CB 3.4Å; P119-L122 PolarHBondContact O-N 3.02Å; P119-T123 PolarHBondContact O-N 3.04Å
120	E	91.1	Very high	90.4	Very high	139 Å²	139	63.8 Å²	63.8	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-62.3	-41.9	174.9	-67.6	-174.6	176.6	0	0	111.2	D118 L122 T123 D124	D118-E120 PolarHBondContact O-N 3.31Å; D118-E120 PolarHBondContact OD1-N 3.35Å; D118-E120 VanDerWaalsContact OD1-N 3.12Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 2.95Å; E120-T123 PolarHBondContact O-N 3.34Å; E120-T123 PolarHBondContact O-OG1 2.85Å; E120-D124 PolarHBondContact O-N 3.36Å
121	F	93.9	Very high	91.2	Very high	85 Å²	85	60.1 Å²	60.1	37%	0.373	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-33.4	176.8	-176	-111.4	0	0	0	112.5	D118 P119 T123 D124 L125 V192	D118-F121 HydrophobicContact CB-CB 4.31Å; D118-F121 WeakPolarHBondContact O-CB 3.49Å; D118-F121 PolarHBondContact O-N 3.39Å; P119-F121 VanDerWaalsContact C-N 3.32Å; P119-F121 PolarHBondContact O-N 2.96Å; F121-T123 VanDerWaalsContact C-N 3.34Å; F121-D124 PolarHBondContact O-N 3.1Å; F121-L125 HydrophobicContact CD1-CD1 4.04Å; F121-L125 HydrophobicContact CD1-CG 4.49Å; F121-L125 HydrophobicContact CE1-CD1 3.61Å; F121-L125 HydrophobicContact CE1-CG 4.13Å; F121-L125 HydrophobicContact CZ-CD1 4.05Å; F121-L125 HydrophobicContact CZ-CD2 4.22Å; F121-L125 HydrophobicContact CZ-CG 4.14Å; F121-L125 WeakPolarHBondContact O-CG 3.42Å; F121-L125 PolarHBondContact O-N 3.5Å; F121-V192 HydrophobicContact CD1-CG1 4.31Å; F121-V192 HydrophobicContact CE1-CG1 4Å
122	L	92.5	Very high	91.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-61.6	-44.4	171.7	-177.4	152.8	0	0	0	110.5	Y117 D118 P119 E120 L125 M126 V192 L202 V543 L550	Y117-L122 HydrophobicContact CD2-CB 4.45Å; Y117-L122 HydrophobicContact CE2-CB 4.25Å; Y117-L122 HydrophobicContact CE2-CD1 3.77Å; D118-L122 PolarHBondContact O-N 3.34Å; P119-L122 WeakPolarHBondContact O-CB 3.4Å; P119-L122 PolarHBondContact O-N 3.02Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.26Å; L122-M126 HydrophobicContact CD2-CG 4.26Å; L122-M126 HydrophobicContact CD2-SD 3.74Å; L122-M126 WeakPolarHBondContact O-CG 3.45Å; L122-M126 PolarHBondContact O-N 3.26Å; L122-M126 VanDerWaalsContact O-N 3.12Å; L122-V192 HydrophobicContact CB-CG2 4.09Å; L122-V192 HydrophobicContact CD1-CG2 4.27Å; L122-V192 HydrophobicContact CG-CG2 4.25Å; L122-L202 HydrophobicContact CD1-CD1 4.2Å; L122-L202 HydrophobicContact CG-CD1 3.96Å; L122-V543 HydrophobicContact CD2-CG1 4.42Å; L122-L550 HydrophobicContact CD1-CD1 4.3Å
123	T	91.5	Very high	92.2	Very high	56 Å²	56	52.3 Å²	52.3	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-66.8	-35.3	178.5	62.9	0	0	0	0	113.1	P119 E120 F121 M126 V552	P119-T123 PolarHBondContact O-N 3.04Å; E120-T123 PolarHBondContact O-N 3.34Å; E120-T123 PolarHBondContact O-OG1 2.85Å; F121-T123 VanDerWaalsContact C-N 3.34Å; T123-M126 HydrophobicContact CG2-SD 4.47Å; T123-M126 WeakPolarHBondContact O-CB 3.47Å; T123-M126 PolarHBondContact O-N 3.02Å; T123-V552 HydrophobicContact CG2-CG1 4.24Å
124	D	94	Very high	92.6	Very high	98 Å²	98	51.3 Å²	51.3	52%	0.524	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-38.2	174.3	-71.5	-23	0	0	0	111.9	E120 F121 M126 D127	E120-D124 PolarHBondContact O-N 3.36Å; F121-D124 PolarHBondContact O-N 3.1Å; D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.99Å; D124-D127 PolarHBondContact O-N 3Å
125	L	93.7	Very high	92.9	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-66.5	-29.3	174.3	-72.9	176.6	0	0	0	112.2	F121 L122 D127 C128 L131 V192 L202	F121-L125 HydrophobicContact CD1-CD1 4.04Å; F121-L125 HydrophobicContact CD1-CG 4.49Å; F121-L125 HydrophobicContact CE1-CD1 3.61Å; F121-L125 HydrophobicContact CE1-CG 4.13Å; F121-L125 HydrophobicContact CZ-CD1 4.05Å; F121-L125 HydrophobicContact CZ-CD2 4.22Å; F121-L125 HydrophobicContact CZ-CG 4.14Å; F121-L125 WeakPolarHBondContact O-CG 3.42Å; F121-L125 PolarHBondContact O-N 3.5Å; L122-L125 PolarHBondContact O-N 3.26Å; L125-D127 PolarHBondContact O-N 2.68Å; L125-C128 PolarHBondContact O-N 2.9Å; L125-C128 VanDerWaalsContact O-N 3.08Å; L125-L131 HydrophobicContact CD2-CB 4.35Å; L125-L131 HydrophobicContact CD2-CD1 3.83Å; L125-V192 HydrophobicContact CD1-CB 4.48Å; L125-V192 HydrophobicContact CD1-CG1 3.73Å; L125-V192 HydrophobicContact CD1-CG2 3.91Å; L125-L202 HydrophobicContact CB-CB 4.08Å; L125-L202 HydrophobicContact CD1-CB 4.43Å
126	M	93.8	Very high	93.2	Very high	5 Å²	5	46 Å²	46	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-33.9	176	-68.6	170.5	67.8	0	0	112	L122 T123 D124 C128 I132 L202 V543 V555 P556 N559	L122-M126 HydrophobicContact CD2-CG 4.26Å; L122-M126 HydrophobicContact CD2-SD 3.74Å; L122-M126 WeakPolarHBondContact O-CG 3.45Å; L122-M126 PolarHBondContact O-N 3.26Å; L122-M126 VanDerWaalsContact O-N 3.12Å; T123-M126 HydrophobicContact CG2-SD 4.47Å; T123-M126 WeakPolarHBondContact O-CB 3.47Å; T123-M126 PolarHBondContact O-N 3.02Å; D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.99Å; M126-C128 PolarHBondContact O-N 3.41Å; M126-I132 WeakPolarHBondContact O-CD1 3.15Å; M126-L202 HydrophobicContact CB-CD2 4.38Å; M126-L202 HydrophobicContact CG-CD2 3.47Å; M126-L202 VanDerWaalsContact CG-CD2 3.47Å; M126-V543 HydrophobicContact CE-CG2 3.75Å; M126-V543 HydrophobicContact SD-CG2 3.95Å; M126-V555 HydrophobicContact CE-CB 4.37Å; M126-V555 HydrophobicContact CE-CG1 3.83Å; M126-V555 HydrophobicContact CE-CG2 4.07Å; M126-P556 HydrophobicContact CB-CG 4.18Å; M126-P556 VanDerWaalsContact O-CG 3.25Å; M126-P556 WeakPolarHBondContact O-CG 3.48Å; M126-N559 HydrophobicContact CE-CB 4.17Å; M126-N559 PolarHBondContact O-ND2 2.78Å
127	D	92.9	Very high	93.5	Very high	43 Å²	43	41.8 Å²	41.8	23%	0.23	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.2	177	-76.7	-32.1	0	0	0	112.9	D124 L125 P129 M480 R554	D124-D127 PolarHBondContact O-N 3Å; L125-D127 PolarHBondContact O-N 2.68Å; D127-P129 WeakPolarHBondContact O-CD 3.3Å; D127-M480 WeakPolarHBondContact O-CE 3.45Å; D127-R554 IonicContact OD1-CZ 3.76Å; D127-R554 IonicContact OD1-NH1 3.85Å; D127-R554 PolarHBondContact OD1-NH1 3.05Å; D127-R554 IonicContact OD1-NH2 2.89Å; D127-R554 PolarHBondContact OD1-NH2 3.06Å; D127-R554 IonicContact OD2-CZ 3.03Å; D127-R554 IonicContact OD2-NH1 4Å; D127-R554 IonicContact OD2-NH2 2.76Å; D127-R554 PolarHBondContact OD2-NH2 3.18Å
128	C	93.3	Very high	93.7	Very high	57 Å²	57	40.7 Å²	40.7	39%	0.385	21%	0.212	S	C	.	.			trans	-108.7	85.7	-178.8	-67.1	0	0	0	0	111.9	L125 M126 E130 L131	L125-C128 PolarHBondContact O-N 2.9Å; L125-C128 VanDerWaalsContact O-N 3.08Å; M126-C128 PolarHBondContact O-N 3.41Å; C128-E130 PolarHBondContact O-N 3.44Å; C128-L131 HydrophobicContact CB-CB 4.3Å; C128-L131 HydrophobicContact CB-CD1 4.1Å; C128-L131 HydrophobicContact CB-CG 4.16Å; C128-L131 PolarHBondContact O-N 2.97Å
129	P	91	Very high	93.9	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.123	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.6	-20.2	-175.8	23.6	-34.6	0	0	0	114.7	D127 L131 P451 M480	D127-P129 WeakPolarHBondContact O-CD 3.3Å; P129-L131 VanDerWaalsContact C-N 3.34Å; P129-P451 WeakPolarHBondContact O-CD 3.47Å; P129-M480 HydrophobicContact CG-CE 3.98Å
130	E	92.8	Very high	94.1	Very high	139 Å²	139	34 Å²	34	65%	0.65	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-73	-25.3	175.7	-63	-174.4	173.9	0	0	113.5	C128 R133	C128-E130 PolarHBondContact O-N 3.44Å; E130-R133 PolarHBondContact O-NH1 3.07Å
131	L	94.4	Very high	94.2	Very high	37 Å²	37	28.2 Å²	28.2	19%	0.194	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-95.2	2	-178.6	-58.1	-175.1	0	0	0	113	L125 C128 P129 Y201 L202	L125-L131 HydrophobicContact CD2-CB 4.35Å; L125-L131 HydrophobicContact CD2-CD1 3.83Å; C128-L131 HydrophobicContact CB-CB 4.3Å; C128-L131 HydrophobicContact CB-CD1 4.1Å; C128-L131 HydrophobicContact CB-CG 4.16Å; C128-L131 PolarHBondContact O-N 2.97Å; P129-L131 VanDerWaalsContact C-N 3.34Å; L131-Y201 HydrophobicContact CB-CD1 4.39Å; L131-Y201 HydrophobicContact CD2-CD1 4.26Å; L131-Y201 HydrophobicContact CD2-CE1 3.91Å; L131-Y201 WeakPolarHBondContact O-CA 3.5Å; L131-Y201 WeakPolarHBondContact O-CD1 3.35Å; L131-L202 PolarHBondContact O-N 2.74Å
132	I	95.4	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.4	178.5	-60.6	166.4	0	0	0	109.4	M126 L202 P451 N559	M126-I132 WeakPolarHBondContact O-CD1 3.15Å; I132-L202 CarbonylContact C-O 3.58Å; I132-L202 WeakPolarHBondContact CA-O 3.49Å; I132-L202 HydrophobicContact CG1-CB 4.19Å; I132-L202 HydrophobicContact CG1-CD2 4.14Å; I132-P451 HydrophobicContact CB-CG 3.95Å; I132-P451 HydrophobicContact CG2-CG 3.85Å; I132-P451 WeakPolarHBondContact O-CD 3.41Å; I132-N559 WeakPolarHBondContact CD1-ND2 3.5Å; I132-N559 WeakPolarHBondContact CD1-OD1 3.35Å
133	R	96.4	Very high	94.1	Very high	22 Å²	22	28.9 Å²	28.9	8%	0.083	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.5	170.2	-67.7	-62.5	-179	-78	-0.7	109.7	E130 V135 L202 F203 N204 A445 I448	E130-R133 PolarHBondContact O-NH1 3.07Å; R133-V135 HydrophobicContact CB-CG2 4.07Å; R133-L202 PolarHBondContact N-O 3.08Å; R133-F203 HydrophobicContact CB-CD1 4.18Å; R133-F203 HydrophobicContact CB-CE1 4.04Å; R133-F203 HydrophobicContact CB-CE2 4.38Å; R133-F203 HydrophobicContact CB-CG 4.44Å; R133-F203 HydrophobicContact CB-CZ 4.14Å; R133-F203 HydrophobicContact CG-CE2 4.38Å; R133-F203 HydrophobicContact CG-CZ 4.18Å; R133-N204 PolarHBondContact O-N 2.82Å; R133-A445 PolarHBondContact NH2-O 3.19Å; R133-I448 VanDerWaalsContact CD-O 3.28Å; R133-I448 WeakPolarHBondContact CD-O 3.19Å; R133-I448 PolarHBondContact NE-O 3.04Å
134	N	96.6	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.8	175.2	-62.7	-34.6	0	0	0	108.8	N204 D226 G227 G558 W560	N134-N204 CarbonylContact C-O 3.56Å; N134-N204 WeakPolarHBondContact CA-O 3.5Å; N134-N204 WeakPolarHBondContact OD1-CB 3.5Å; N134-N204 PolarHBondContact OD1-ND2 2.89Å; N134-D226 HydrophobicContact CB-CB 4.31Å; N134-D226 WeakPolarHBondContact CB-OD2 3.24Å; N134-D226 PolarHBondContact ND2-OD2 2.86Å; N134-D226 PolarHBondContact O-N 3.47Å; N134-G227 PolarHBondContact O-N 3.35Å; N134-G558 PolarHBondContact ND2-O 2.92Å; N134-W560 HydrophobicContact CB-CZ2 3.75Å
135	V	96.3	Very high	94	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.4	-170.4	-174.2	0	0	0	0	110.6	R133 F203 N204 I205 F206 C229 I448	R133-V135 HydrophobicContact CB-CG2 4.07Å; V135-F203 HydrophobicContact CG2-CD1 4.12Å; V135-F203 HydrophobicContact CG2-CE1 4.1Å; V135-N204 PolarHBondContact N-O 3.33Å; V135-I205 CarbonylContact O-C 3.6Å; V135-I205 VanDerWaalsContact O-CA 3.27Å; V135-I205 WeakPolarHBondContact O-CA 3.36Å; V135-F206 PolarHBondContact O-N 3.17Å; V135-C229 HydrophobicContact CG1-CB 4.05Å; V135-I448 HydrophobicContact CB-CD1 4.21Å; V135-I448 HydrophobicContact CG1-CD1 3.71Å; V135-I448 HydrophobicContact CG2-CD1 3.56Å; V135-I448 HydrophobicContact CG2-CG2 4.4Å
136	V	97	Very high	94	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.6	171.3	174.8	0	0	0	0	109.8	C138 F206 T208 A221 F222 A225 G227 I228 C229	V136-C138 HydrophobicContact CG1-CB 4.2Å; V136-F206 HydrophobicContact CB-CB 4.37Å; V136-F206 HydrophobicContact CG1-CB 4.3Å; V136-F206 HydrophobicContact CG2-CB 3.88Å; V136-F206 HydrophobicContact CG2-CD2 4.18Å; V136-F206 HydrophobicContact CG2-CG 4.48Å; V136-T208 HydrophobicContact CG1-CG2 3.48Å; V136-T208 VanDerWaalsContact CG1-CG2 3.48Å; V136-A221 HydrophobicContact CG1-CB 4.25Å; V136-A221 HydrophobicContact CG2-CB 3.92Å; V136-F222 HydrophobicContact CB-CD1 4.21Å; V136-F222 HydrophobicContact CB-CE1 4.21Å; V136-F222 HydrophobicContact CG1-CD1 3.89Å; V136-F222 HydrophobicContact CG1-CE1 3.68Å; V136-F222 HydrophobicContact CG2-CD1 4.25Å; V136-A225 HydrophobicContact CB-CB 4.37Å; V136-A225 HydrophobicContact CG2-CB 3.26Å; V136-G227 PolarHBondContact N-O 2.96Å; V136-G227 VanDerWaalsContact N-O 3.13Å; V136-I228 HydrophobicContact CB-CG2 4.37Å; V136-C229 PolarHBondContact O-N 3.14Å
137	L	96.7	Very high	93.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.7	166.4	-56.5	-169.1	0	0	0	108.7	F148 M149 I205 F206 T208 C229 L231 F440	L137-F148 HydrophobicContact CD1-CD1 3.85Å; L137-M149 HydrophobicContact CD1-CG 3.64Å; L137-M149 HydrophobicContact CD1-SD 3.37Å; L137-M149 WeakPolarHBondContact CD1-SD 3.27Å; L137-M149 HydrophobicContact CG-SD 4.3Å; L137-I205 HydrophobicContact CD1-CG2 4.01Å; L137-I205 HydrophobicContact CD2-CG2 4.23Å; L137-I205 HydrophobicContact CG-CG2 3.61Å; L137-F206 PolarHBondContact N-O 3.27Å; L137-T208 PolarHBondContact O-N 3.34Å; L137-T208 PolarHBondContact O-OG1 3.41Å; L137-C229 WeakPolarHBondContact CA-O 3.16Å; L137-C229 HydrophobicContact CD2-CB 3.68Å; L137-L231 HydrophobicContact CB-CD1 4.27Å; L137-L231 HydrophobicContact CD2-CD1 4.21Å; L137-F440 HydrophobicContact CD2-CZ 4.33Å
138	C	95.4	Very high	93.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	163	-178.5	60.2	0	0	0	0	110.4	V136 V218 F222 C229 L230 L231 I245	V136-C138 HydrophobicContact CG1-CB 4.2Å; C138-V218 HydrophobicContact CB-CG1 4.49Å; C138-F222 HydrophobicContact CB-CE1 4.08Å; C138-F222 HydrophobicContact CB-CZ 4.25Å; C138-C229 PolarHBondContact N-O 3.03Å; C138-L230 CarbonylContact O-C 3.57Å; C138-L230 WeakPolarHBondContact O-CA 3.19Å; C138-L231 PolarHBondContact O-N 3.27Å; C138-I245 HydrophobicContact CB-CD1 4.15Å; C138-I245 HydrophobicContact CB-CG2 4.14Å; C138-I245 VanDerWaalsContact SG-CG2 3.58Å
139	G	93.5	Very high	93.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.			trans	150.8	171.1	-176.8	0	0	0	0	0	111.8	K145 G210	G139-K145 PolarHBondContact O-NZ 3.44Å; G139-G210 WeakPolarHBondContact O-CA 3.47Å
140	H	93.9	Very high	94	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	9%	0.09	C	C	.	.	S	Bend	trans	-61.2	166.7	-177.5	-161.8	-91.6	0	0	0	113.3	H142 H143 K145 G210 L239 N241	H140-H142 PolarHBondContact O-N 3.09Å; H140-H143 WeakPolarHBondContact CB-CE1 3.49Å; H140-H143 WeakPolarHBondContact CB-NE2 3.41Å; H140-H143 PolarHBondContact O-N 3.01Å; H140-K145 PolarHBondContact O-NZ 3.49Å; H140-G210 CarbonylContact C-O 3.38Å; H140-L239 HydrophobicContact CB-CB 4.42Å; H140-L239 HydrophobicContact CB-CD1 4.17Å; H140-L239 VanDerWaalsContact CD2-CB 3.48Å; H140-L239 WeakPolarHBondContact CD2-CB 3.37Å; H140-L239 WeakPolarHBondContact ND1-CD1 3.34Å; H140-N241 HydrophobicContact CB-CB 4.39Å; H140-N241 VanDerWaalsContact CD2-CB 3.43Å; H140-N241 WeakPolarHBondContact CD2-CB 3.36Å
141	L	92.5	Very high	93.9	Very high	18 Å²	18	11.3 Å²	11.3	9%	0.094	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	134.6	175.7	-175.3	66.4	0	0	0	110.4	H143 G210 H211 F906 M908	L141-H143 PolarHBondContact O-N 3.21Å; L141-G210 PolarHBondContact N-O 2.82Å; L141-G210 VanDerWaalsContact N-O 3.07Å; L141-H211 HydrophobicContact CD1-CB 4.24Å; L141-F906 HydrophobicContact CD2-CE1 3.75Å; L141-F906 HydrophobicContact CD2-CE2 4.4Å; L141-F906 HydrophobicContact CD2-CZ 3.39Å; L141-M908 HydrophobicContact CD2-SD 4.34Å
142	H	90.9	Very high	93.8	Very high	102 Å²	102	9.6 Å²	9.6	47%	0.472	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	18.5	178.2	-57.5	-37.8	0	0	0	117.5	H140 G144 G181 K262	H140-H142 PolarHBondContact O-N 3.09Å; H142-G144 PolarHBondContact O-N 3.4Å; H142-G144 VanDerWaalsContact O-N 3.07Å; H142-G181 PolarHBondContact CE1-O 3.38Å; H142-K262 WeakPolarHBondContact O-CE 3.5Å; H142-K262 PolarHBondContact O-NZ 3.26Å
143	H	93.8	Very high	93.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-68	0.4	168.3	-75.4	-162.9	0	0	0	114.5	H140 L141 L231 V232 D233 E236 N261	H140-H143 WeakPolarHBondContact CB-CE1 3.49Å; H140-H143 WeakPolarHBondContact CB-NE2 3.41Å; H140-H143 PolarHBondContact O-N 3.01Å; L141-H143 PolarHBondContact O-N 3.21Å; H143-L231 HydrophobicContact CB-CB 4.42Å; H143-L231 PolarHBondContact ND1-O 3.1Å; H143-V232 WeakPolarHBondContact ND1-CA 3.43Å; H143-D233 PolarHBondContact ND1-N 3.43Å; H143-E236 IonicContact CD2-OE2 3.42Å; H143-E236 IonicContact NE2-OE2 2.7Å; H143-N261 PolarHBondContact O-ND2 3.03Å
144	G	91.1	Very high	93.4	Very high	9 Å²	9	9.2 Å²	9.2	9%	0.093	5%	0.049	C	C	.	.	S	Bend	trans	90.1	28.3	172.1	0	0	0	0	0	116	H142 S147 F148	H142-G144 PolarHBondContact O-N 3.4Å; H142-G144 VanDerWaalsContact O-N 3.07Å; G144-S147 PolarHBondContact O-N 3.27Å; G144-F148 WeakPolarHBondContact O-CB 3.47Å; G144-F148 PolarHBondContact O-N 2.87Å
145	K	93	Very high	93	Very high	8 Å²	8	11.1 Å²	11.1	4%	0.035	6%	0.059	C	C	.	.	H	α-helix	trans	-60	-58.7	177.3	-60.1	-179.9	-67.1	-71.6	0	113.3	G139 H140 S147 F148 M149 D207 T208 L231	G139-K145 PolarHBondContact O-NZ 3.44Å; H140-K145 PolarHBondContact O-NZ 3.49Å; K145-S147 VanDerWaalsContact C-N 3.27Å; K145-S147 PolarHBondContact O-N 3.01Å; K145-F148 WeakPolarHBondContact O-CA 3.19Å; K145-F148 VanDerWaalsContact O-CB 3.23Å; K145-F148 WeakPolarHBondContact O-CB 3.36Å; K145-F148 PolarHBondContact O-N 3.35Å; K145-M149 PolarHBondContact O-N 2.79Å; K145-D207 WeakPolarHBondContact CB-OD1 3.16Å; K145-T208 WeakPolarHBondContact CE-O 3.02Å; K145-L231 HydrophobicContact CB-CD2 4.45Å; K145-L231 HydrophobicContact CG-CB 4.19Å; K145-L231 HydrophobicContact CG-CD1 4.43Å; K145-L231 HydrophobicContact CG-CD2 4.13Å; K145-L231 HydrophobicContact CG-CG 4.48Å
146	T	92.8	Very high	92.7	Very high	16 Å²	16	11.3 Å²	11.3	10%	0.098	6%	0.061	C	C	.	.	H	α-helix	trans	-56.3	-42.1	175.1	-40.5	0	0	0	0	111.5	F148 M149 D150 R169 T171 S183 D207	T146-F148 VanDerWaalsContact C-N 3.28Å; T146-F148 PolarHBondContact O-N 3.02Å; T146-M149 WeakPolarHBondContact O-CB 3.27Å; T146-M149 PolarHBondContact O-N 2.81Å; T146-D150 PolarHBondContact O-N 3.01Å; T146-R169 HydrophobicContact CG2-CB 3.97Å; T146-R169 HydrophobicContact CG2-CG 4.26Å; T146-T171 WeakPolarHBondContact CG2-OG1 3.42Å; T146-S183 PolarHBondContact OG1-OG 3.21Å; T146-D207 VanDerWaalsContact CA-OD2 3.31Å; T146-D207 WeakPolarHBondContact CA-OD2 2.87Å; T146-D207 PolarHBondContact OG1-OD2 2.99Å
147	S	91.7	Very high	92.4	Very high	22 Å²	22	11.4 Å²	11.4	15%	0.154	6%	0.061	C	C	.	.	H	α-helix	trans	-67.6	-27.3	175.7	-56.1	0	0	0	0	113.3	G144 K145 C151	G144-S147 PolarHBondContact O-N 3.27Å; K145-S147 VanDerWaalsContact C-N 3.27Å; K145-S147 PolarHBondContact O-N 3.01Å; S147-C151 PolarHBondContact O-N 2.66Å; S147-C151 PolarHBondContact O-SG 3.5Å
148	F	94.1	Very high	91.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-70.5	-41.4	171.5	-167	-91.4	0	0	0	110.8	L137 G144 K145 T146 D150 C151 L152 L231 A319 T321 C326 F437 F440	L137-F148 HydrophobicContact CD1-CD1 3.85Å; G144-F148 WeakPolarHBondContact O-CB 3.47Å; G144-F148 PolarHBondContact O-N 2.87Å; K145-F148 WeakPolarHBondContact O-CA 3.19Å; K145-F148 VanDerWaalsContact O-CB 3.23Å; K145-F148 WeakPolarHBondContact O-CB 3.36Å; K145-F148 PolarHBondContact O-N 3.35Å; T146-F148 VanDerWaalsContact C-N 3.28Å; T146-F148 PolarHBondContact O-N 3.02Å; F148-D150 VanDerWaalsContact C-N 3.34Å; F148-C151 VanDerWaalsContact O-CB 3.32Å; F148-C151 WeakPolarHBondContact O-CB 3.39Å; F148-C151 PolarHBondContact O-N 2.95Å; F148-C151 VanDerWaalsContact O-N 3.15Å; F148-L152 HydrophobicContact CD1-CD1 4.15Å; F148-L152 HydrophobicContact CD1-CG 4.43Å; F148-L152 HydrophobicContact CE1-CD1 3.98Å; F148-L152 HydrophobicContact CE1-CG 4.3Å; F148-L152 PolarHBondContact O-N 3.2Å; F148-L231 HydrophobicContact CB-CD2 3.9Å; F148-L231 HydrophobicContact CG-CD2 4.28Å; F148-A319 HydrophobicContact CD2-CB 4.42Å; F148-A319 HydrophobicContact CE2-CB 4.11Å; F148-T321 VanDerWaalsContact CA-CG2 3.45Å; F148-T321 HydrophobicContact CB-CG2 3.6Å; F148-T321 HydrophobicContact CD2-CG2 3.61Å; F148-T321 HydrophobicContact CG-CG2 4.08Å; F148-C326 HydrophobicContact CE2-CB 4.41Å; F148-F437 HydrophobicContact CD2-CE2 4.46Å; F148-F437 HydrophobicContact CE2-CD2 4.25Å; F148-F437 HydrophobicContact CE2-CE2 4.09Å; F148-F437 HydrophobicContact CZ-CD2 4.12Å; F148-F437 HydrophobicContact CZ-CE2 4.39Å; F148-F440 HydrophobicContact CE1-CD1 4.18Å; F148-F440 AromaticContact CE1-CD2 3.96Å; F148-F440 HydrophobicContact CE1-CD2 3.96Å; F148-F440 HydrophobicContact CE1-CE1 4.15Å; F148-F440 AromaticContact CE1-CE2 3.94Å; F148-F440 HydrophobicContact CE1-CE2 3.94Å; F148-F440 HydrophobicContact CE1-CG 4.09Å; F148-F440 HydrophobicContact CE1-CZ 4.03Å; F148-F440 HydrophobicContact CZ-CB 4.22Å; F148-F440 HydrophobicContact CZ-CD1 4.3Å; F148-F440 AromaticContact CZ-CD2 3.73Å; F148-F440 HydrophobicContact CZ-CD2 3.73Å; F148-F440 HydrophobicContact CZ-CE2 4.17Å; F148-F440 AromaticContact CZ-CG 3.81Å; F148-F440 HydrophobicContact CZ-CG 3.81Å
149	M	93.5	Very high	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-41.9	171.6	-70.3	-55	-68.6	0	0	112.3	L137 K145 T146 C151 L152 I153 T171 V189 I205 D207	L137-M149 HydrophobicContact CD1-CG 3.64Å; L137-M149 HydrophobicContact CD1-SD 3.37Å; L137-M149 WeakPolarHBondContact CD1-SD 3.27Å; L137-M149 HydrophobicContact CG-SD 4.3Å; K145-M149 PolarHBondContact O-N 2.79Å; T146-M149 WeakPolarHBondContact O-CB 3.27Å; T146-M149 PolarHBondContact O-N 2.81Å; M149-C151 PolarHBondContact O-N 3.38Å; M149-L152 PolarHBondContact O-N 2.87Å; M149-L152 HydrophobicContact SD-CD1 4.04Å; M149-I153 WeakPolarHBondContact O-CG1 3.3Å; M149-I153 PolarHBondContact O-N 3.45Å; M149-T171 HydrophobicContact CB-CG2 3.98Å; M149-T171 HydrophobicContact CG-CG2 4.26Å; M149-V189 HydrophobicContact CE-CB 3.6Å; M149-V189 HydrophobicContact CE-CG1 4.05Å; M149-V189 HydrophobicContact CE-CG2 3.67Å; M149-I205 HydrophobicContact CE-CB 3.94Å; M149-I205 HydrophobicContact CE-CD1 4.33Å; M149-I205 HydrophobicContact CE-CG2 3.85Å; M149-I205 HydrophobicContact SD-CB 4.15Å; M149-I205 HydrophobicContact SD-CD1 4.26Å; M149-I205 HydrophobicContact SD-CG2 3.45Å; M149-I205 WeakPolarHBondContact SD-CG2 3.45Å; M149-D207 HydrophobicContact CG-CB 4.04Å
150	D	91.9	Very high	91	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.7	-40.9	173.8	-70	-17.4	0	0	0	111.3	T146 F148 L152 I153 E154 R169 Y170	T146-D150 PolarHBondContact O-N 3.01Å; F148-D150 VanDerWaalsContact C-N 3.34Å; D150-L152 PolarHBondContact O-N 3.47Å; D150-I153 PolarHBondContact O-N 2.97Å; D150-E154 WeakPolarHBondContact O-CB 3.35Å; D150-E154 WeakPolarHBondContact O-CG 3.28Å; D150-E154 PolarHBondContact O-N 3.04Å; D150-R169 WeakPolarHBondContact OD1-CA 3.32Å; D150-R169 PolarHBondContact OD1-N 3.13Å; D150-R169 WeakPolarHBondContact OD2-CA 3.39Å; D150-R169 PolarHBondContact OD2-N 3Å; D150-Y170 PolarHBondContact OD1-N 2.94Å
151	C	91.1	Very high	90.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.9	-57.5	0	0	0	0	111.9	S147 F148 M149 I153 L155 R324 F437	S147-C151 PolarHBondContact O-N 2.66Å; S147-C151 PolarHBondContact O-SG 3.5Å; F148-C151 VanDerWaalsContact O-CB 3.32Å; F148-C151 WeakPolarHBondContact O-CB 3.39Å; F148-C151 PolarHBondContact O-N 2.95Å; F148-C151 VanDerWaalsContact O-N 3.15Å; M149-C151 PolarHBondContact O-N 3.38Å; C151-I153 VanDerWaalsContact C-N 3.33Å; C151-L155 VanDerWaalsContact O-CG 3.27Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.46Å; C151-L155 VanDerWaalsContact O-N 3.15Å; C151-R324 WeakPolarHBondContact SG-CD 3.45Å; C151-F437 HydrophobicContact CB-CD2 4.28Å; C151-F437 HydrophobicContact CB-CE1 4.5Å; C151-F437 HydrophobicContact CB-CE2 3.32Å; C151-F437 HydrophobicContact CB-CZ 3.46Å; C151-F437 VanDerWaalsContact CB-CZ 3.46Å
152	L	92.8	Very high	89.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-68	-35.2	179.5	-63.8	178.6	0	0	0	112	F148 M149 D150 L155 T156 L191 L193 I205 F437 F440	F148-L152 HydrophobicContact CD1-CD1 4.15Å; F148-L152 HydrophobicContact CD1-CG 4.43Å; F148-L152 HydrophobicContact CE1-CD1 3.98Å; F148-L152 HydrophobicContact CE1-CG 4.3Å; F148-L152 PolarHBondContact O-N 3.2Å; M149-L152 PolarHBondContact O-N 2.87Å; M149-L152 HydrophobicContact SD-CD1 4.04Å; D150-L152 PolarHBondContact O-N 3.47Å; L152-L155 PolarHBondContact O-N 3.05Å; L152-T156 WeakPolarHBondContact O-CG2 3.23Å; L152-T156 PolarHBondContact O-N 3.31Å; L152-T156 VanDerWaalsContact O-N 3.16Å; L152-T156 PolarHBondContact O-OG1 3.35Å; L152-L191 HydrophobicContact CB-CD1 4.1Å; L152-L193 HydrophobicContact CD1-CD1 4.38Å; L152-L193 HydrophobicContact CD2-CD1 4.17Å; L152-L193 HydrophobicContact CD2-CD2 4.44Å; L152-I205 HydrophobicContact CD1-CD1 3.66Å; L152-F437 HydrophobicContact CD2-CB 4.05Å; L152-F437 HydrophobicContact CD2-CD2 3.76Å; L152-F437 HydrophobicContact CD2-CG 4.27Å; L152-F440 HydrophobicContact CD1-CE1 4.17Å; L152-F440 HydrophobicContact CD2-CD1 4.44Å
153	I	92.1	Very high	88.4	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-45.7	177.7	-68.3	160.6	0	0	0	110.2	M149 D150 C151 L155 T156 H157 I160 Y170 L191	M149-I153 WeakPolarHBondContact O-CG1 3.3Å; M149-I153 PolarHBondContact O-N 3.45Å; D150-I153 PolarHBondContact O-N 2.97Å; C151-I153 VanDerWaalsContact C-N 3.33Å; I153-L155 PolarHBondContact O-N 3.25Å; I153-T156 WeakPolarHBondContact CA-OG1 3.3Å; I153-T156 PolarHBondContact O-N 2.91Å; I153-T156 PolarHBondContact O-OG1 3.34Å; I153-T156 VanDerWaalsContact O-OG1 3.07Å; I153-H157 HydrophobicContact CG2-CB 4.43Å; I153-H157 WeakPolarHBondContact O-CB 3.14Å; I153-H157 PolarHBondContact O-N 3.36Å; I153-H157 PolarHBondContact O-ND1 3.29Å; I153-I160 HydrophobicContact CG2-CD1 4.32Å; I153-I160 HydrophobicContact CG2-CG2 4.42Å; I153-Y170 HydrophobicContact CD1-CD1 3.43Å; I153-Y170 VanDerWaalsContact CD1-CD1 3.43Å; I153-Y170 HydrophobicContact CD1-CE1 4.27Å; I153-Y170 HydrophobicContact CD1-CG 3.77Å; I153-Y170 HydrophobicContact CG1-CD1 4.43Å; I153-Y170 HydrophobicContact CG2-CD1 4.3Å; I153-Y170 HydrophobicContact CG2-CD2 4.35Å; I153-Y170 HydrophobicContact CG2-CE1 4.49Å; I153-Y170 HydrophobicContact CG2-CG 4.18Å; I153-L191 HydrophobicContact CG1-CD1 4.22Å
154	E	89.7	Confident	86.9	Confident	14 Å²	14	36.8 Å²	36.8	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-29.2	175.7	-72.5	172.2	-177.8	0	0	113.1	D150 I160 A162 R324 R427	D150-E154 WeakPolarHBondContact O-CB 3.35Å; D150-E154 WeakPolarHBondContact O-CG 3.28Å; D150-E154 PolarHBondContact O-N 3.04Å; E154-I160 WeakPolarHBondContact CG-O 3.45Å; E154-A162 WeakPolarHBondContact OE1-CB 3.27Å; E154-R324 IonicContact OE1-CZ 3.85Å; E154-R324 IonicContact OE1-NE 2.73Å; E154-R324 PolarHBondContact OE1-NE 2.71Å; E154-R324 IonicContact OE1-NH2 2.85Å; E154-R324 PolarHBondContact OE1-NH2 3.13Å; E154-R324 WeakPolarHBondContact OE2-CD 3.41Å; E154-R324 IonicContact OE2-CZ 2.77Å; E154-R324 IonicContact OE2-NE 2.74Å; E154-R324 PolarHBondContact OE2-NE 2.81Å; E154-R324 IonicContact OE2-NH2 2.73Å; E154-R427 IonicContact OE1-CZ 3.65Å; E154-R427 IonicContact OE1-NH2 2.63Å; E154-R427 PolarHBondContact OE1-NH2 2.88Å; E154-R427 IonicContact OE2-CZ 3.73Å; E154-R427 IonicContact OE2-NH2 3.68Å; E154-R427 PolarHBondContact OE2-NH2 2.94Å
155	L	88.5	Confident	85.8	Confident	40 Å²	40	42.9 Å²	42.9	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-73.6	-35.2	173.7	-73.2	171.9	0	0	0	112.4	C151 L152 I153 F437	C151-L155 VanDerWaalsContact O-CG 3.27Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.46Å; C151-L155 VanDerWaalsContact O-N 3.15Å; L152-L155 PolarHBondContact O-N 3.05Å; I153-L155 PolarHBondContact O-N 3.25Å; L155-F437 HydrophobicContact CD1-CB 3.9Å; L155-F437 HydrophobicContact CD1-CD1 3.64Å; L155-F437 HydrophobicContact CD1-CD2 4.36Å; L155-F437 HydrophobicContact CD1-CE1 4.24Å; L155-F437 HydrophobicContact CD1-CG 3.7Å
156	T	90.5	Very high	84.8	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-91.3	-23.8	-175.3	47.5	0	0	0	0	113.4	T115 T116 Y117 L152 I153 L191 L193	T115-T156 CarbonylContact C-O 3.59Å; T115-T156 WeakPolarHBondContact CA-O 3.33Å; T116-T156 WeakPolarHBondContact CG2-O 3.3Å; T116-T156 PolarHBondContact N-O 2.92Å; T116-T156 PolarHBondContact OG1-O 3.37Å; Y117-T156 HydrophobicContact CE1-CG2 4.07Å; L152-T156 WeakPolarHBondContact O-CG2 3.23Å; L152-T156 PolarHBondContact O-N 3.31Å; L152-T156 VanDerWaalsContact O-N 3.16Å; L152-T156 PolarHBondContact O-OG1 3.35Å; I153-T156 WeakPolarHBondContact CA-OG1 3.3Å; I153-T156 PolarHBondContact O-N 2.91Å; I153-T156 PolarHBondContact O-OG1 3.34Å; I153-T156 VanDerWaalsContact O-OG1 3.07Å; T156-L191 HydrophobicContact CG2-CB 4.45Å; T156-L193 HydrophobicContact CG2-CD2 3.76Å
157	H	91.5	Very high	84	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.265	C	S	.	.			trans	-124.4	92.6	-175.3	-61.8	77.8	0	0	0	110.3	T115 I153 D159 I160 Y548	T115-H157 VanDerWaalsContact CG2-CD2 3.41Å; T115-H157 WeakPolarHBondContact CG2-CD2 3.37Å; T115-H157 WeakPolarHBondContact CG2-NE2 3.48Å; I153-H157 HydrophobicContact CG2-CB 4.43Å; I153-H157 WeakPolarHBondContact O-CB 3.14Å; I153-H157 PolarHBondContact O-N 3.36Å; I153-H157 PolarHBondContact O-ND1 3.29Å; H157-D159 PolarHBondContact O-N 3.16Å; H157-I160 HydrophobicContact CB-CB 4.11Å; H157-I160 HydrophobicContact CB-CD1 3.65Å; H157-I160 HydrophobicContact CB-CG1 3.9Å; H157-I160 PolarHBondContact O-N 3.26Å; H157-I160 VanDerWaalsContact O-N 3.15Å; H157-Y548 AromaticContact NE2-CE1 3.52Å; H157-Y548 AromaticContact NE2-CZ 3.65Å; H157-Y548 PolarHBondContact NE2-OH 3.4Å
158	P	86.4	Confident	83.4	Confident	64 Å²	64	53.8 Å²	53.8	42%	0.416	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	-173.7	-25.6	35.7	0	0	0	114.8	T116 I160	T116-P158 HydrophobicContact CG2-CG 3.81Å; P158-I160 VanDerWaalsContact C-N 3.3Å
159	D	86.5	Confident	82.9	Confident	117 Å²	117	57.1 Å²	57.1	63%	0.626	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.9	-178.2	-66.5	-23.8	0	0	0	113.4	T114 H157	T114-D159 WeakPolarHBondContact CB-OD2 3.23Å; T114-D159 WeakPolarHBondContact CG2-OD2 3.11Å; T114-D159 PolarHBondContact OG1-OD2 3.47Å; H157-D159 PolarHBondContact O-N 3.16Å
160	I	83.7	Confident	82.7	Confident	22 Å²	22	57.1 Å²	57.1	11%	0.113	28%	0.28	C	S	.	.			trans	-98	102.2	-175.1	-57.1	179.5	0	0	0	108.4	P113 I153 E154 H157 P158 L168 Y170	P113-I160 HydrophobicContact CB-CD1 4.4Å; I153-I160 HydrophobicContact CG2-CD1 4.32Å; I153-I160 HydrophobicContact CG2-CG2 4.42Å; E154-I160 WeakPolarHBondContact CG-O 3.45Å; H157-I160 HydrophobicContact CB-CB 4.11Å; H157-I160 HydrophobicContact CB-CD1 3.65Å; H157-I160 HydrophobicContact CB-CG1 3.9Å; H157-I160 PolarHBondContact O-N 3.26Å; H157-I160 VanDerWaalsContact O-N 3.15Å; P158-I160 VanDerWaalsContact C-N 3.3Å; I160-L168 HydrophobicContact CG2-CD1 4.35Å; I160-L168 HydrophobicContact CG2-CD2 3.44Å; I160-L168 VanDerWaalsContact CG2-CD2 3.44Å; I160-Y170 HydrophobicContact CD1-CE2 3.74Å; I160-Y170 HydrophobicContact CG2-CD2 4.27Å; I160-Y170 HydrophobicContact CG2-CE2 4.37Å
161	E	75.8	Confident	82.6	Confident	118 Å²	118	57.1 Å²	57.1	55%	0.551	28%	0.28	S	S	*	.			trans	-121.9	139.4	175.7	-63.6	-162.7	144.7	0	0	112.1	K163 R431	E161-K163 PolarHBondContact O-N 3.49Å; E161-R431 IonicContact OE1-NH1 3.69Å; E161-R431 PolarHBondContact OE1-NH1 2.99Å; E161-R431 VanDerWaalsContact OE1-NH1 3.17Å
162	A	73.8	Confident	82.5	Confident	14 Å²	14	57.1 Å²	57.1	12%	0.116	28%	0.28	C	S	.	.			trans	-67.4	127.9	173.5	0	0	0	0	0	111	E154 L168	E154-A162 WeakPolarHBondContact OE1-CB 3.27Å; A162-L168 HydrophobicContact CB-CB 4.06Å
163	K	71.3	Confident	82.3	Confident	178 Å²	178	58.5 Å²	58.5	77%	0.774	29%	0.286	S	S	*	.			trans	-68.7	140	177.2	-64.7	-177.7	-179.9	178.8	0	110.4	E161 D165 K166	E161-K163 PolarHBondContact O-N 3.49Å; K163-D165 VanDerWaalsContact C-N 3.31Å; K163-D165 PolarHBondContact O-N 3.2Å; K163-K166 PolarHBondContact O-N 3.21Å; K163-K166 VanDerWaalsContact O-O 3.09Å
164	E	63.9	Low	82.2	Confident	142 Å²	142	59.3 Å²	59.3	66%	0.664	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-29.8	-49	-162.5	-62.3	-177.5	162.4	0	0	117.4
165	D	67	Low	82.3	Confident	137 Å²	137	61.3 Å²	61.3	73%	0.733	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-2.9	-176	-70	-35.7	0	0	0	115.4	K163	K163-D165 VanDerWaalsContact C-N 3.31Å; K163-D165 PolarHBondContact O-N 3.2Å
166	K	71.3	Confident	82.3	Confident	168 Å²	168	60 Å²	60	73%	0.73	29%	0.292	S	S	*	.	S	Bend	trans	-115	127.3	-177.5	-67.6	-171.3	179.9	-174	0	111.1	K163 L168	K163-K166 PolarHBondContact O-N 3.21Å; K163-K166 VanDerWaalsContact O-O 3.09Å; K166-L168 PolarHBondContact O-N 3.15Å
167	N	76	Confident	82.4	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.374	29%	0.291	S	S	.	.			trans	-61.7	135.5	168.4	-65.7	-25.3	0	0	0	109.1	R169	N167-R169 HydrophobicContact CB-CG 4.06Å
168	L	79.4	Confident	82.2	Confident	38 Å²	38	62.9 Å²	62.9	20%	0.199	31%	0.31	C	S	.	.			trans	-65.2	-43.5	-177	177.2	68.7	0	0	0	111.7	I160 A162 K166 Y170 R547	I160-L168 HydrophobicContact CG2-CD1 4.35Å; I160-L168 HydrophobicContact CG2-CD2 3.44Å; I160-L168 VanDerWaalsContact CG2-CD2 3.44Å; A162-L168 HydrophobicContact CB-CB 4.06Å; K166-L168 PolarHBondContact O-N 3.15Å; L168-Y170 HydrophobicContact CD2-CD2 4.06Å; L168-Y170 HydrophobicContact CD2-CG 4.49Å; L168-Y170 HydrophobicContact CG-CD2 4.43Å; L168-R547 PolarHBondContact O-NH2 3.37Å
169	R	84.6	Confident	82.4	Confident	70 Å²	70	67.4 Å²	67.4	26%	0.264	33%	0.325	S	S	.	.			trans	45.7	63.4	-175.6	-56.1	-173.7	-177.5	-154.4	5.2	111.2	T146 D150 N167 T171 D172 G181 R547	T146-R169 HydrophobicContact CG2-CB 3.97Å; T146-R169 HydrophobicContact CG2-CG 4.26Å; D150-R169 WeakPolarHBondContact OD1-CA 3.32Å; D150-R169 PolarHBondContact OD1-N 3.13Å; D150-R169 WeakPolarHBondContact OD2-CA 3.39Å; D150-R169 PolarHBondContact OD2-N 3Å; N167-R169 HydrophobicContact CB-CG 4.06Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 3.47Å; R169-D172 HydrophobicContact CB-CB 4.03Å; R169-D172 WeakPolarHBondContact CD-OD2 3.24Å; R169-D172 IonicContact NH1-OD2 3.66Å; R169-D172 PolarHBondContact O-N 3.46Å; R169-G181 PolarHBondContact NH1-O 3.08Å; R169-R547 PolarHBondContact O-NH2 3.46Å
170	Y	88.4	Confident	82.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-63.6	-38.5	-171.4	-167.2	-94.5	0	0	0	112.4	E109 D150 I153 I160 L168 A546 R547	E109-Y170 PolarHBondContact OE1-OH 2.9Å; E109-Y170 PolarHBondContact OE2-OH 2.9Å; D150-Y170 PolarHBondContact OD1-N 2.94Å; I153-Y170 HydrophobicContact CD1-CD1 3.43Å; I153-Y170 VanDerWaalsContact CD1-CD1 3.43Å; I153-Y170 HydrophobicContact CD1-CE1 4.27Å; I153-Y170 HydrophobicContact CD1-CG 3.77Å; I153-Y170 HydrophobicContact CG1-CD1 4.43Å; I153-Y170 HydrophobicContact CG2-CD1 4.3Å; I153-Y170 HydrophobicContact CG2-CD2 4.35Å; I153-Y170 HydrophobicContact CG2-CE1 4.49Å; I153-Y170 HydrophobicContact CG2-CG 4.18Å; I160-Y170 HydrophobicContact CD1-CE2 3.74Å; I160-Y170 HydrophobicContact CG2-CD2 4.27Å; I160-Y170 HydrophobicContact CG2-CE2 4.37Å; L168-Y170 HydrophobicContact CD2-CD2 4.06Å; L168-Y170 HydrophobicContact CD2-CG 4.49Å; L168-Y170 HydrophobicContact CG-CD2 4.43Å; Y170-A546 HydrophobicContact CD1-CB 3.99Å; Y170-A546 HydrophobicContact CE1-CB 4.08Å; Y170-R547 HydrophobicContact CD1-CG 4.07Å; Y170-R547 HydrophobicContact CD2-CG 4.31Å; Y170-R547 HydrophobicContact CE1-CB 3.96Å; Y170-R547 HydrophobicContact CE1-CG 3.76Å; Y170-R547 HydrophobicContact CE2-CB 4.29Å; Y170-R547 VanDerWaalsContact CE2-CD 3.49Å; Y170-R547 HydrophobicContact CE2-CG 3.97Å; Y170-R547 HydrophobicContact CG-CG 4.37Å; Y170-R547 PolarHBondContact O-NE 3.32Å
171	T	89.5	Confident	82.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-73.8	-25.2	179.6	46.6	0	0	0	0	113.9	T146 M149 R169 F173 T187 V189 D207 A546	T146-T171 WeakPolarHBondContact CG2-OG1 3.42Å; M149-T171 HydrophobicContact CB-CG2 3.98Å; M149-T171 HydrophobicContact CG-CG2 4.26Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 3.47Å; T171-F173 VanDerWaalsContact C-N 3.28Å; T171-F173 VanDerWaalsContact O-CD1 3.29Å; T171-F173 WeakPolarHBondContact O-CD1 3.35Å; T171-F173 PolarHBondContact O-N 3.32Å; T171-T187 HydrophobicContact CG2-CG2 4.36Å; T171-T187 PolarHBondContact O-OG1 2.85Å; T171-V189 HydrophobicContact CG2-CG2 3.71Å; T171-D207 WeakPolarHBondContact CB-OD2 3.37Å; T171-D207 HydrophobicContact CG2-CB 4.07Å; T171-D207 PolarHBondContact OG1-OD2 3.4Å; T171-A546 HydrophobicContact CG2-CB 4.41Å
172	D	90.6	Very high	83.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	29%	0.291	C	S	.	.			trans	-81.5	73.5	171.7	-65.2	-10.9	0	0	0	108.7	R169 E177 V178 S183	R169-D172 HydrophobicContact CB-CB 4.03Å; R169-D172 WeakPolarHBondContact CD-OD2 3.24Å; R169-D172 IonicContact NH1-OD2 3.66Å; R169-D172 PolarHBondContact O-N 3.46Å; D172-E177 WeakPolarHBondContact CA-OE2 3.32Å; D172-E177 HydrophobicContact CB-CB 3.94Å; D172-V178 WeakPolarHBondContact O-CG2 3.37Å; D172-S183 VanDerWaalsContact OD1-CB 3.25Å; D172-S183 WeakPolarHBondContact OD1-CB 3.31Å; D172-S183 PolarHBondContact OD1-OG 2.86Å
173	F	88.4	Confident	84.3	Confident	31 Å²	31	60.6 Å²	60.6	14%	0.136	29%	0.29	C	S	.	.			trans	-93.7	-11.6	-175.5	66.7	-97.3	0	0	0	113.3	A106 Y107 T171 T187 A546 R547	A106-F173 CarbonylContact C-O 3.57Å; A106-F173 WeakPolarHBondContact CA-O 3.14Å; A106-F173 HydrophobicContact CB-CD2 3.75Å; A106-F173 HydrophobicContact CB-CE2 4.03Å; Y107-F173 WeakPolarHBondContact CD2-O 3.22Å; Y107-F173 PolarHBondContact N-O 3.18Å; T171-F173 VanDerWaalsContact C-N 3.28Å; T171-F173 VanDerWaalsContact O-CD1 3.29Å; T171-F173 WeakPolarHBondContact O-CD1 3.35Å; T171-F173 PolarHBondContact O-N 3.32Å; F173-T187 HydrophobicContact CD1-CG2 4.15Å; F173-T187 HydrophobicContact CE1-CG2 3.71Å; F173-A546 HydrophobicContact CD1-CB 4.35Å; F173-R547 HydrophobicContact CB-CG 3.97Å
174	L	90.1	Very high	85.3	Confident	17 Å²	17	52.1 Å²	52.1	9%	0.089	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-74.7	139	174.2	-59.7	174.2	0	0	0	110	F105 A106 M176 E177 V178 K185	F105-L174 HydrophobicContact CD2-CD2 3.79Å; F105-L174 HydrophobicContact CE2-CD2 3.83Å; A106-L174 HydrophobicContact CB-CD2 4.25Å; L174-M176 PolarHBondContact O-N 2.87Å; L174-E177 HydrophobicContact CB-CB 4.32Å; L174-E177 HydrophobicContact CB-CG 3.94Å; L174-E177 HydrophobicContact CD1-CG 4.28Å; L174-E177 PolarHBondContact N-OE2 3.07Å; L174-E177 PolarHBondContact O-N 3.32Å; L174-V178 PolarHBondContact O-N 3.15Å; L174-K185 HydrophobicContact CD1-CB 4.43Å; L174-K185 HydrophobicContact CD1-CD 3.8Å; L174-K185 HydrophobicContact CD1-CG 3.95Å
175	H	90.1	Very high	86.7	Confident	56 Å²	56	45.8 Å²	45.8	26%	0.259	22%	0.224	S	C	.	.	H	α-helix	trans	-56	-38.7	178.6	-67.3	179.2	0	0	0	111.8	K104 F105 Y107 E177 V178 E179	K104-H175 PolarHBondContact O-CE1 3.41Å; K104-H175 PolarHBondContact O-ND1 3.41Å; F105-H175 PolarHBondContact O-CD2 3.31Å; F105-H175 PolarHBondContact O-N 3.43Å; Y107-H175 AromaticContact CD2-CD2 3.86Å; Y107-H175 AromaticContact CE1-NE2 3.86Å; Y107-H175 AromaticContact CE2-CD2 3.5Å; Y107-H175 AromaticContact CZ-CD2 3.63Å; Y107-H175 AromaticContact CZ-NE2 3.85Å; H175-E177 PolarHBondContact O-N 3.12Å; H175-V178 PolarHBondContact O-N 3.1Å; H175-E179 WeakPolarHBondContact O-CB 3.35Å; H175-E179 WeakPolarHBondContact O-CG 3.15Å; H175-E179 PolarHBondContact O-N 2.67Å
176	M	90	Very high	88	Confident	13 Å²	13	39.2 Å²	39.2	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-40.5	177.1	-169.1	-170.4	-44.4	0	0	112.9	L174 V178 E179 R180 I184 C649 H652 D653	L174-M176 PolarHBondContact O-N 2.87Å; M176-V178 VanDerWaalsContact C-N 3.35Å; M176-E179 PolarHBondContact O-N 3.49Å; M176-R180 HydrophobicContact CG-CG 4.29Å; M176-R180 WeakPolarHBondContact O-CB 3.03Å; M176-R180 WeakPolarHBondContact O-CG 3.34Å; M176-R180 PolarHBondContact O-N 3.18Å; M176-I184 HydrophobicContact CB-CD1 4.2Å; M176-I184 HydrophobicContact CG-CD1 3.68Å; M176-I184 HydrophobicContact SD-CD1 3.34Å; M176-I184 WeakPolarHBondContact SD-CD1 3.26Å; M176-C649 HydrophobicContact SD-CB 3.79Å; M176-H652 HydrophobicContact CE-CB 3.68Å; M176-H652 VanDerWaalsContact CE-CG 3.4Å; M176-H652 WeakPolarHBondContact CE-ND1 3.49Å; M176-D653 WeakPolarHBondContact CE-OD1 3.39Å
177	E	91.2	Very high	89	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.1	-40.3	-179.6	-68	177.8	143.3	0	0	111	D172 L174 H175 G181 L182 I184 K185	D172-E177 WeakPolarHBondContact CA-OE2 3.32Å; D172-E177 HydrophobicContact CB-CB 3.94Å; L174-E177 HydrophobicContact CB-CB 4.32Å; L174-E177 HydrophobicContact CB-CG 3.94Å; L174-E177 HydrophobicContact CD1-CG 4.28Å; L174-E177 PolarHBondContact N-OE2 3.07Å; L174-E177 PolarHBondContact O-N 3.32Å; H175-E177 PolarHBondContact O-N 3.12Å; E177-G181 WeakPolarHBondContact O-CA 3.46Å; E177-G181 PolarHBondContact O-N 3.34Å; E177-L182 WeakPolarHBondContact CA-O 3.43Å; E177-L182 WeakPolarHBondContact CB-O 3.19Å; E177-L182 PolarHBondContact O-N 3.05Å; E177-I184 HydrophobicContact CG-CB 3.9Å; E177-I184 HydrophobicContact CG-CD1 3.89Å; E177-I184 HydrophobicContact CG-CG1 3.89Å; E177-I184 WeakPolarHBondContact OE1-CA 3.41Å; E177-I184 PolarHBondContact OE1-N 3.26Å; E177-K185 PolarHBondContact OE1-N 3.03Å
178	V	88.8	Confident	89.9	Confident	64 Å²	64	28.2 Å²	28.2	39%	0.388	14%	0.138	S	C	.	.	H	α-helix	trans	-66.5	-45.1	176.5	178.6	0	0	0	0	111.4	Y107 D172 L174 H175 M176 G181	Y107-V178 HydrophobicContact CD2-CG2 4.18Å; Y107-V178 HydrophobicContact CE2-CB 4.32Å; Y107-V178 HydrophobicContact CE2-CG2 3.83Å; D172-V178 WeakPolarHBondContact O-CG2 3.37Å; L174-V178 PolarHBondContact O-N 3.15Å; H175-V178 PolarHBondContact O-N 3.1Å; M176-V178 VanDerWaalsContact C-N 3.35Å; V178-G181 PolarHBondContact O-N 2.98Å
179	E	89.8	Confident	90.7	Very high	160 Å²	160	26.4 Å²	26.4	75%	0.748	13%	0.129	S	C	*	.	H	α-helix	trans	-66.7	-44.8	179.8	-75.4	178.9	-176.8	0	0	112.6	H175 M176 G181	H175-E179 WeakPolarHBondContact O-CB 3.35Å; H175-E179 WeakPolarHBondContact O-CG 3.15Å; H175-E179 PolarHBondContact O-N 2.67Å; M176-E179 PolarHBondContact O-N 3.49Å; E179-G181 VanDerWaalsContact C-N 3.26Å; E179-G181 PolarHBondContact O-N 3.13Å
180	R	89	Confident	91.2	Very high	75 Å²	75	23.2 Å²	23.2	28%	0.283	12%	0.117	S	C	.	.	H	α-helix	trans	-75.4	-18.8	177.5	-67	-171.5	-174.6	-130.1	-12.1	112.9	M176 L182 D648 C649	M176-R180 HydrophobicContact CG-CG 4.29Å; M176-R180 WeakPolarHBondContact O-CB 3.03Å; M176-R180 WeakPolarHBondContact O-CG 3.34Å; M176-R180 PolarHBondContact O-N 3.18Å; R180-L182 VanDerWaalsContact C-N 3.25Å; R180-L182 HydrophobicContact CB-CD2 3.66Å; R180-L182 HydrophobicContact CB-CG 3.74Å; R180-L182 HydrophobicContact CG-CD2 4.5Å; R180-L182 PolarHBondContact O-N 3.31Å; R180-D648 IonicContact CZ-OD2 2.71Å; R180-D648 IonicContact NH1-OD2 3.28Å; R180-D648 PolarHBondContact NH1-OD2 3.16Å; R180-D648 VanDerWaalsContact NH2-CG 3.3Å; R180-D648 IonicContact NH2-OD1 2.75Å; R180-D648 IonicContact NH2-OD2 3.07Å; R180-D648 PolarHBondContact NH2-OD2 3.01Å; R180-C649 PolarHBondContact NH1-SG 3.44Å; R180-C649 VanDerWaalsContact NH1-SG 3.42Å
181	G	87.4	Confident	91.5	Very high	17 Å²	17	23.2 Å²	23.2	18%	0.175	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	28.2	-174.5	0	0	0	0	0	113.1	H142 R169 E177 V178 E179	H142-G181 PolarHBondContact CE1-O 3.38Å; R169-G181 PolarHBondContact NH1-O 3.08Å; E177-G181 WeakPolarHBondContact O-CA 3.46Å; E177-G181 PolarHBondContact O-N 3.34Å; V178-G181 PolarHBondContact O-N 2.98Å; E179-G181 VanDerWaalsContact C-N 3.26Å; E179-G181 PolarHBondContact O-N 3.13Å
182	L	90.3	Very high	91.7	Very high	22 Å²	22	23.7 Å²	23.7	12%	0.115	12%	0.12	C	C	.	.	S	Bend	trans	-138.2	138	177.4	65.9	99.8	0	0	0	110.5	E177 R180 I184 F214 L645	E177-L182 WeakPolarHBondContact CA-O 3.43Å; E177-L182 WeakPolarHBondContact CB-O 3.19Å; E177-L182 PolarHBondContact O-N 3.05Å; R180-L182 VanDerWaalsContact C-N 3.25Å; R180-L182 HydrophobicContact CB-CD2 3.66Å; R180-L182 HydrophobicContact CB-CG 3.74Å; R180-L182 HydrophobicContact CG-CD2 4.5Å; R180-L182 PolarHBondContact O-N 3.31Å; L182-I184 HydrophobicContact CD1-CD1 4.25Å; L182-I184 HydrophobicContact CD1-CG1 3.44Å; L182-I184 VanDerWaalsContact CD1-CG1 3.44Å; L182-F214 HydrophobicContact CD1-CE2 3.83Å; L182-L645 HydrophobicContact CD1-CD2 4.23Å; L182-L645 HydrophobicContact CD2-CD1 4.23Å; L182-L645 HydrophobicContact CD2-CD2 3.99Å
183	S	92.7	Very high	91.9	Very high	13 Å²	13	24.1 Å²	24.1	9%	0.091	12%	0.122	C	C	.	.			trans	-70.4	132.2	171.2	-40.2	0	0	0	0	109.2	T146 D172 P209	T146-S183 PolarHBondContact OG1-OG 3.21Å; D172-S183 VanDerWaalsContact OD1-CB 3.25Å; D172-S183 WeakPolarHBondContact OD1-CB 3.31Å; D172-S183 PolarHBondContact OD1-OG 2.86Å; S183-P209 WeakPolarHBondContact O-CB 3.46Å
184	I	93	Very high	92.1	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.14	C	C	.	.			trans	-110.1	-51.2	-176.9	-65	167.7	0	0	0	109	M176 E177 L182 F214 Y624 C649	M176-I184 HydrophobicContact CB-CD1 4.2Å; M176-I184 HydrophobicContact CG-CD1 3.68Å; M176-I184 HydrophobicContact SD-CD1 3.34Å; M176-I184 WeakPolarHBondContact SD-CD1 3.26Å; E177-I184 HydrophobicContact CG-CB 3.9Å; E177-I184 HydrophobicContact CG-CD1 3.89Å; E177-I184 HydrophobicContact CG-CG1 3.89Å; E177-I184 WeakPolarHBondContact OE1-CA 3.41Å; E177-I184 PolarHBondContact OE1-N 3.26Å; L182-I184 HydrophobicContact CD1-CD1 4.25Å; L182-I184 HydrophobicContact CD1-CG1 3.44Å; L182-I184 VanDerWaalsContact CD1-CG1 3.44Å; I184-F214 HydrophobicContact CB-CZ 4.5Å; I184-F214 HydrophobicContact CG1-CE2 4.28Å; I184-F214 HydrophobicContact CG1-CZ 4.24Å; I184-F214 HydrophobicContact CG2-CD1 4.14Å; I184-F214 HydrophobicContact CG2-CE1 3.72Å; I184-F214 HydrophobicContact CG2-CE2 4.48Å; I184-F214 HydrophobicContact CG2-CZ 3.93Å; I184-Y624 HydrophobicContact CG2-CE1 4.24Å; I184-C649 HydrophobicContact CD1-CB 4.46Å; I184-C649 VanDerWaalsContact CD1-SG 3.57Å; I184-C649 HydrophobicContact CG2-CB 4.41Å
185	K	92.9	Very high	92.1	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.035	14%	0.137	C	C	.	.	S	Bend	trans	-99.2	149.1	-178.5	-57.1	-164.9	-171	-179.7	0	109.9	L174 E177 S623 D653	L174-K185 HydrophobicContact CD1-CB 4.43Å; L174-K185 HydrophobicContact CD1-CD 3.8Å; L174-K185 HydrophobicContact CD1-CG 3.95Å; E177-K185 PolarHBondContact OE1-N 3.03Å; K185-S623 WeakPolarHBondContact CE-OG 3.35Å; K185-S623 PolarHBondContact NZ-OG 3.41Å; K185-D653 IonicContact NZ-OD2 3.76Å; K185-D653 PolarHBondContact NZ-OD2 2.99Å
186	S	93.8	Very high	91.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.			trans	-71.2	129.7	169.7	50.4	0	0	0	0	109.5	D207 E217 Y493	S186-D207 CarbonylContact C-O 3.59Å; S186-D207 VanDerWaalsContact CA-O 3.29Å; S186-D207 WeakPolarHBondContact CA-O 3.27Å; S186-E217 PolarHBondContact N-OE2 2.93Å; S186-E217 VanDerWaalsContact N-OE2 3.14Å; S186-E217 PolarHBondContact OG-OE2 3.26Å; S186-Y493 WeakPolarHBondContact O-CE1 3.44Å; S186-Y493 VanDerWaalsContact O-CZ 3.27Å; S186-Y493 PolarHBondContact O-OH 3.39Å
187	T	93.6	Very high	91.5	Very high	4 Å²	4	32 Å²	32	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.4	-178.5	-64.8	0	0	0	0	110.3	T171 F173 V189 D207 A546	T171-T187 HydrophobicContact CG2-CG2 4.36Å; T171-T187 PolarHBondContact O-OG1 2.85Å; F173-T187 HydrophobicContact CD1-CG2 4.15Å; F173-T187 HydrophobicContact CE1-CG2 3.71Å; T187-V189 HydrophobicContact CG2-CG2 4.45Å; T187-D207 PolarHBondContact N-O 3.15Å; T187-D207 PolarHBondContact O-N 2.82Å; T187-A546 HydrophobicContact CG2-CB 3.57Å
188	P	95	Very high	91.2	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	140.7	176	31.2	-31.5	0	0	0	110.7	I205 F206 Y493 F504 S544 A546 W560	P188-I205 CarbonylContact C-O 3.54Å; P188-I205 WeakPolarHBondContact CA-O 3.42Å; P188-F206 HydrophobicContact CB-CD1 4.04Å; P188-F206 HydrophobicContact CB-CE1 3.8Å; P188-F206 HydrophobicContact CB-CZ 4.29Å; P188-F206 HydrophobicContact CG-CE1 4.17Å; P188-Y493 WeakPolarHBondContact CD-OH 3.37Å; P188-Y493 HydrophobicContact CG-CE2 4.28Å; P188-F504 HydrophobicContact CB-CE1 4.29Å; P188-F504 HydrophobicContact CB-CE2 3.77Å; P188-F504 HydrophobicContact CB-CZ 3.46Å; P188-F504 VanDerWaalsContact CB-CZ 3.46Å; P188-F504 HydrophobicContact CG-CD2 4.13Å; P188-F504 HydrophobicContact CG-CE1 4.44Å; P188-F504 HydrophobicContact CG-CE2 3.56Å; P188-F504 HydrophobicContact CG-CZ 3.7Å; P188-S544 PolarHBondContact O-OG 3.02Å; P188-A546 PolarHBondContact O-N 2.88Å; P188-W560 HydrophobicContact CB-CE3 4.05Å; P188-W560 HydrophobicContact CB-CZ3 4.23Å
189	V	94.9	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.9	176.7	-168.5	0	0	0	0	108.9	M149 T171 T187 L191 I205 V545 A546	M149-V189 HydrophobicContact CE-CB 3.6Å; M149-V189 HydrophobicContact CE-CG1 4.05Å; M149-V189 HydrophobicContact CE-CG2 3.67Å; T171-V189 HydrophobicContact CG2-CG2 3.71Å; T187-V189 HydrophobicContact CG2-CG2 4.45Å; V189-L191 HydrophobicContact CG1-CD1 4.02Å; V189-L191 HydrophobicContact CG1-CD2 3.98Å; V189-L191 HydrophobicContact CG1-CG 3.76Å; V189-I205 PolarHBondContact N-O 3.42Å; V189-I205 PolarHBondContact O-N 3.31Å; V189-V545 HydrophobicContact CG1-CG1 3.64Å; V189-A546 HydrophobicContact CG2-CB 4.06Å
190	S	95.3	Very high	91.5	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114	178.1	-45.3	0	0	0	0	109.6	F203 N204 V543 S544	S190-F203 WeakPolarHBondContact CA-O 3.41Å; S190-N204 PolarHBondContact OG-OD1 2.89Å; S190-V543 WeakPolarHBondContact OG-CG1 3.25Å; S190-S544 PolarHBondContact N-O 3.15Å; S190-S544 PolarHBondContact OG-O 3.49Å
191	L	94.5	Very high	91.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.3	-176	-60.7	174.8	0	0	0	111.1	L152 I153 T156 V189 L193 F203 V545	L152-L191 HydrophobicContact CB-CD1 4.1Å; I153-L191 HydrophobicContact CG1-CD1 4.22Å; T156-L191 HydrophobicContact CG2-CB 4.45Å; V189-L191 HydrophobicContact CG1-CD1 4.02Å; V189-L191 HydrophobicContact CG1-CD2 3.98Å; V189-L191 HydrophobicContact CG1-CG 3.76Å; L191-L193 HydrophobicContact CB-CD2 4.42Å; L191-L193 HydrophobicContact CB-CG 4.46Å; L191-F203 PolarHBondContact N-O 3.17Å; L191-F203 PolarHBondContact O-N 3.06Å; L191-V545 HydrophobicContact CD2-CG1 3.83Å
192	V	95.2	Very high	92.2	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.055	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.8	169	-177.3	0	0	0	0	109	Y117 F121 L122 L125 Y201 L202	Y117-V192 HydrophobicContact CD1-CB 3.67Å; Y117-V192 HydrophobicContact CD1-CG2 4.27Å; Y117-V192 HydrophobicContact CD2-CB 4.11Å; Y117-V192 HydrophobicContact CD2-CG2 3.79Å; Y117-V192 HydrophobicContact CE1-CB 3.86Å; Y117-V192 HydrophobicContact CE1-CG2 4.31Å; Y117-V192 HydrophobicContact CE2-CB 4.31Å; Y117-V192 HydrophobicContact CE2-CG2 3.87Å; Y117-V192 HydrophobicContact CG-CB 3.79Å; Y117-V192 HydrophobicContact CG-CG2 4Å; F121-V192 HydrophobicContact CD1-CG1 4.31Å; F121-V192 HydrophobicContact CE1-CG1 4Å; L122-V192 HydrophobicContact CB-CG2 4.09Å; L122-V192 HydrophobicContact CD1-CG2 4.27Å; L122-V192 HydrophobicContact CG-CG2 4.25Å; L125-V192 HydrophobicContact CD1-CB 4.48Å; L125-V192 HydrophobicContact CD1-CG1 3.73Å; L125-V192 HydrophobicContact CD1-CG2 3.91Å; V192-Y201 WeakPolarHBondContact CA-O 3.5Å; V192-L202 HydrophobicContact CG2-CD1 4.38Å
193	L	93.7	Very high	92.5	Very high	11 Å²	11	27.7 Å²	27.7	6%	0.058	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.9	-178.4	-59.9	179.7	0	0	0	111.2	L152 T156 L191 S200 Y201 F203 I205 F440 V441	L152-L193 HydrophobicContact CD1-CD1 4.38Å; L152-L193 HydrophobicContact CD2-CD1 4.17Å; L152-L193 HydrophobicContact CD2-CD2 4.44Å; T156-L193 HydrophobicContact CG2-CD2 3.76Å; L191-L193 HydrophobicContact CB-CD2 4.42Å; L191-L193 HydrophobicContact CB-CG 4.46Å; L193-S200 WeakPolarHBondContact O-CA 3.5Å; L193-Y201 PolarHBondContact N-O 2.78Å; L193-Y201 PolarHBondContact O-N 2.82Å; L193-F203 HydrophobicContact CB-CD2 4.02Å; L193-F203 HydrophobicContact CB-CE2 4.45Å; L193-F203 HydrophobicContact CD1-CB 4.03Å; L193-F203 HydrophobicContact CD1-CD1 4.25Å; L193-F203 HydrophobicContact CD1-CD2 4.05Å; L193-F203 HydrophobicContact CD1-CG 3.84Å; L193-F203 HydrophobicContact CG-CB 4.36Å; L193-F203 HydrophobicContact CG-CD2 4.29Å; L193-F203 HydrophobicContact CG-CG 4.39Å; L193-I205 HydrophobicContact CD1-CD1 4.45Å; L193-F440 HydrophobicContact CD1-CE1 4.47Å; L193-V441 HydrophobicContact CB-CG1 4.47Å; L193-V441 HydrophobicContact CB-CG2 3.58Å; L193-V441 HydrophobicContact CD1-CG2 4.04Å; L193-V441 HydrophobicContact CG-CG2 4.43Å
194	R	92.3	Very high	92.7	Very high	134 Å²	134	27.2 Å²	27.2	51%	0.506	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.1	179.8	-68.7	168.8	72.7	159.8	3.9	111.1	E198	R194-E198 IonicContact CZ-OE2 2.85Å; R194-E198 IonicContact NE-OE2 2.82Å; R194-E198 PolarHBondContact NE-OE2 3.11Å; R194-E198 IonicContact NH2-OE2 2.77Å; R194-E198 PolarHBondContact NH2-OE2 2.81Å
195	S	89.9	Confident	92.9	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.028	12%	0.124	C	C	.	.			trans	-75.8	171.2	170.4	64.9	0	0	0	0	111.2	Q197 E198 K199	S195-Q197 PolarHBondContact O-N 2.78Å; S195-E198 PolarHBondContact O-N 2.63Å; S195-K199 WeakPolarHBondContact CB-O 3.3Å; S195-K199 PolarHBondContact N-O 2.84Å; S195-K199 WeakPolarHBondContact OG-CB 3.44Å; S195-K199 PolarHBondContact OG-N 2.79Å; S195-K199 PolarHBondContact OG-O 3.11Å
196	M	84.6	Confident	93	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.03	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.3	173.2	-67.5	-169.1	-155.9	0	0	112.4	E198 E330 S331 R334 G439 N442	M196-E198 PolarHBondContact O-N 2.97Å; M196-E198 VanDerWaalsContact O-N 3.11Å; M196-E330 HydrophobicContact CE-CB 4.21Å; M196-E330 HydrophobicContact CE-CG 4.35Å; M196-E330 HydrophobicContact SD-CG 4.11Å; M196-S331 VanDerWaalsContact CE-CA 3.49Å; M196-R334 VanDerWaalsContact O-CZ 3.23Å; M196-R334 PolarHBondContact O-NH1 2.96Å; M196-R334 PolarHBondContact O-NH2 3.35Å; M196-R334 VanDerWaalsContact O-NH2 3.08Å; M196-G439 VanDerWaalsContact CE-CA 3.49Å; M196-N442 HydrophobicContact CE-CB 3.97Å; M196-N442 HydrophobicContact CG-CB 4.41Å
197	Q	84.3	Confident	93.1	Very high	137 Å²	137	27 Å²	27	64%	0.64	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	14.9	-179.3	-62.7	178.4	0.3	0	0	113.3	S195 K199	S195-Q197 PolarHBondContact O-N 2.78Å; Q197-K199 PolarHBondContact O-N 3.08Å; Q197-K199 VanDerWaalsContact O-N 3.1Å
198	E	83.9	Confident	93.1	Very high	100 Å²	100	26.9 Å²	26.9	47%	0.467	12%	0.123	S	C	.	.	S	Bend	trans	61.5	13.7	-175.3	-54.4	-62	174.1	0	0	114.5	R194 S195 M196	R194-E198 IonicContact CZ-OE2 2.85Å; R194-E198 IonicContact NE-OE2 2.82Å; R194-E198 PolarHBondContact NE-OE2 3.11Å; R194-E198 IonicContact NH2-OE2 2.77Å; R194-E198 PolarHBondContact NH2-OE2 2.81Å; S195-E198 PolarHBondContact O-N 2.63Å; M196-E198 PolarHBondContact O-N 2.97Å; M196-E198 VanDerWaalsContact O-N 3.11Å
199	K	92	Very high	93.1	Very high	91 Å²	91	26.7 Å²	26.7	40%	0.396	12%	0.122	S	C	.	.			trans	-83.8	124.7	173	-176.8	173.7	174.4	-168.9	0	109.7	S195 Q197 Y201	S195-K199 WeakPolarHBondContact CB-O 3.3Å; S195-K199 PolarHBondContact N-O 2.84Å; S195-K199 WeakPolarHBondContact OG-CB 3.44Å; S195-K199 PolarHBondContact OG-N 2.79Å; S195-K199 PolarHBondContact OG-O 3.11Å; Q197-K199 PolarHBondContact O-N 3.08Å; Q197-K199 VanDerWaalsContact O-N 3.1Å; K199-Y201 HydrophobicContact CB-CE2 4.18Å; K199-Y201 HydrophobicContact CD-CE2 4.09Å; K199-Y201 WeakPolarHBondContact CD-OH 3.32Å; K199-Y201 HydrophobicContact CG-CE2 3.91Å; K199-Y201 PolarHBondContact NZ-OH 3.48Å; K199-Y201 WeakPolarHBondContact O-CD2 3.46Å
200	S	93.7	Very high	92.9	Very high	28 Å²	28	27 Å²	27	20%	0.196	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.6	176.7	-59.5	0	0	0	0	111.7	L193	L193-S200 WeakPolarHBondContact O-CA 3.5Å
201	Y	95.1	Very high	92.8	Very high	28 Å²	28	27.2 Å²	27.2	11%	0.11	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.6	176.2	-71.2	-89.7	0	0	0	109.1	L131 V192 L193 K199 F203 V441 A445	L131-Y201 HydrophobicContact CB-CD1 4.39Å; L131-Y201 HydrophobicContact CD2-CD1 4.26Å; L131-Y201 HydrophobicContact CD2-CE1 3.91Å; L131-Y201 WeakPolarHBondContact O-CA 3.5Å; L131-Y201 WeakPolarHBondContact O-CD1 3.35Å; V192-Y201 WeakPolarHBondContact CA-O 3.5Å; L193-Y201 PolarHBondContact N-O 2.78Å; L193-Y201 PolarHBondContact O-N 2.82Å; K199-Y201 HydrophobicContact CB-CE2 4.18Å; K199-Y201 HydrophobicContact CD-CE2 4.09Å; K199-Y201 WeakPolarHBondContact CD-OH 3.32Å; K199-Y201 HydrophobicContact CG-CE2 3.91Å; K199-Y201 PolarHBondContact NZ-OH 3.48Å; K199-Y201 WeakPolarHBondContact O-CD2 3.46Å; Y201-F203 HydrophobicContact CG-CE2 4.45Å; Y201-V441 HydrophobicContact CD2-CG1 4.22Å; Y201-A445 HydrophobicContact CE1-CB 4.42Å; Y201-A445 HydrophobicContact CE2-CB 4.24Å
202	L	95.9	Very high	92.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.6	170.9	178.6	59.5	0	0	0	108.8	L122 L125 M126 L131 I132 R133 V192	L122-L202 HydrophobicContact CD1-CD1 4.2Å; L122-L202 HydrophobicContact CG-CD1 3.96Å; L125-L202 HydrophobicContact CB-CB 4.08Å; L125-L202 HydrophobicContact CD1-CB 4.43Å; M126-L202 HydrophobicContact CB-CD2 4.38Å; M126-L202 HydrophobicContact CG-CD2 3.47Å; M126-L202 VanDerWaalsContact CG-CD2 3.47Å; L131-L202 PolarHBondContact O-N 2.74Å; I132-L202 CarbonylContact C-O 3.58Å; I132-L202 WeakPolarHBondContact CA-O 3.49Å; I132-L202 HydrophobicContact CG1-CB 4.19Å; I132-L202 HydrophobicContact CG1-CD2 4.14Å; R133-L202 PolarHBondContact N-O 3.08Å; V192-L202 HydrophobicContact CG2-CD1 4.38Å
203	F	96.2	Very high	92.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.5	177.7	-90	-103.1	0	0	0	109.5	R133 V135 S190 L191 L193 Y201 I205 F440 V441 C444	R133-F203 HydrophobicContact CB-CD1 4.18Å; R133-F203 HydrophobicContact CB-CE1 4.04Å; R133-F203 HydrophobicContact CB-CE2 4.38Å; R133-F203 HydrophobicContact CB-CG 4.44Å; R133-F203 HydrophobicContact CB-CZ 4.14Å; R133-F203 HydrophobicContact CG-CE2 4.38Å; R133-F203 HydrophobicContact CG-CZ 4.18Å; V135-F203 HydrophobicContact CG2-CD1 4.12Å; V135-F203 HydrophobicContact CG2-CE1 4.1Å; S190-F203 WeakPolarHBondContact CA-O 3.41Å; L191-F203 PolarHBondContact N-O 3.17Å; L191-F203 PolarHBondContact O-N 3.06Å; L193-F203 HydrophobicContact CB-CD2 4.02Å; L193-F203 HydrophobicContact CB-CE2 4.45Å; L193-F203 HydrophobicContact CD1-CB 4.03Å; L193-F203 HydrophobicContact CD1-CD1 4.25Å; L193-F203 HydrophobicContact CD1-CD2 4.05Å; L193-F203 HydrophobicContact CD1-CG 3.84Å; L193-F203 HydrophobicContact CG-CB 4.36Å; L193-F203 HydrophobicContact CG-CD2 4.29Å; L193-F203 HydrophobicContact CG-CG 4.39Å; Y201-F203 HydrophobicContact CG-CE2 4.45Å; F203-I205 HydrophobicContact CB-CD1 4Å; F203-I205 HydrophobicContact CB-CG1 4Å; F203-I205 HydrophobicContact CD1-CD1 4.16Å; F203-I205 HydrophobicContact CD1-CG1 4.19Å; F203-F440 HydrophobicContact CD1-CE1 4.4Å; F203-F440 HydrophobicContact CE1-CE1 4.18Å; F203-V441 HydrophobicContact CE2-CG1 3.77Å; F203-V441 HydrophobicContact CZ-CB 4.5Å; F203-V441 HydrophobicContact CZ-CG1 4.07Å; F203-C444 HydrophobicContact CE1-CB 3.42Å; F203-C444 VanDerWaalsContact CE1-CB 3.42Å; F203-C444 HydrophobicContact CZ-CB 3.57Å
204	N	96.7	Very high	92.6	Very high	3 Å²	3	27 Å²	27	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.1	167.3	-63.5	-29.4	0	0	0	106.8	R133 N134 V135 S190 W560	R133-N204 PolarHBondContact O-N 2.82Å; N134-N204 CarbonylContact C-O 3.56Å; N134-N204 WeakPolarHBondContact CA-O 3.5Å; N134-N204 WeakPolarHBondContact OD1-CB 3.5Å; N134-N204 PolarHBondContact OD1-ND2 2.89Å; V135-N204 PolarHBondContact N-O 3.33Å; S190-N204 PolarHBondContact OG-OD1 2.89Å; N204-W560 VanDerWaalsContact C-CZ3 3.41Å; N204-W560 HydrophobicContact CB-CD2 3.75Å; N204-W560 HydrophobicContact CB-CE3 3.58Å; N204-W560 HydrophobicContact CB-CG 4.37Å; N204-W560 HydrophobicContact CB-CH2 4.07Å; N204-W560 HydrophobicContact CB-CZ2 4.26Å; N204-W560 HydrophobicContact CB-CZ3 3.75Å; N204-W560 WeakPolarHBondContact O-CH2 3.4Å
205	I	96.9	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129	-173.4	-58.4	169.2	0	0	0	110.1	V135 L137 M149 L152 P188 V189 L193 F203 F440	V135-I205 CarbonylContact O-C 3.6Å; V135-I205 VanDerWaalsContact O-CA 3.27Å; V135-I205 WeakPolarHBondContact O-CA 3.36Å; L137-I205 HydrophobicContact CD1-CG2 4.01Å; L137-I205 HydrophobicContact CD2-CG2 4.23Å; L137-I205 HydrophobicContact CG-CG2 3.61Å; M149-I205 HydrophobicContact CE-CB 3.94Å; M149-I205 HydrophobicContact CE-CD1 4.33Å; M149-I205 HydrophobicContact CE-CG2 3.85Å; M149-I205 HydrophobicContact SD-CB 4.15Å; M149-I205 HydrophobicContact SD-CD1 4.26Å; M149-I205 HydrophobicContact SD-CG2 3.45Å; M149-I205 WeakPolarHBondContact SD-CG2 3.45Å; L152-I205 HydrophobicContact CD1-CD1 3.66Å; P188-I205 CarbonylContact C-O 3.54Å; P188-I205 WeakPolarHBondContact CA-O 3.42Å; V189-I205 PolarHBondContact N-O 3.42Å; V189-I205 PolarHBondContact O-N 3.31Å; L193-I205 HydrophobicContact CD1-CD1 4.45Å; F203-I205 HydrophobicContact CB-CD1 4Å; F203-I205 HydrophobicContact CB-CG1 4Å; F203-I205 HydrophobicContact CD1-CD1 4.16Å; F203-I205 HydrophobicContact CD1-CG1 4.19Å; I205-F440 HydrophobicContact CD1-CE1 4.49Å
206	F	95.2	Very high	92.7	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.9	166.7	-95.4	-63.5	0	0	0	110.6	V135 V136 L137 P188 T208 A221 L224 F504 W560	V135-F206 PolarHBondContact O-N 3.17Å; V136-F206 HydrophobicContact CB-CB 4.37Å; V136-F206 HydrophobicContact CG1-CB 4.3Å; V136-F206 HydrophobicContact CG2-CB 3.88Å; V136-F206 HydrophobicContact CG2-CD2 4.18Å; V136-F206 HydrophobicContact CG2-CG 4.48Å; L137-F206 PolarHBondContact N-O 3.27Å; P188-F206 HydrophobicContact CB-CD1 4.04Å; P188-F206 HydrophobicContact CB-CE1 3.8Å; P188-F206 HydrophobicContact CB-CZ 4.29Å; P188-F206 HydrophobicContact CG-CE1 4.17Å; F206-T208 HydrophobicContact CB-CG2 4.3Å; F206-A221 HydrophobicContact CB-CB 4.06Å; F206-A221 HydrophobicContact CD1-CB 4.21Å; F206-A221 HydrophobicContact CD2-CB 3.76Å; F206-A221 HydrophobicContact CE2-CB 4.16Å; F206-A221 HydrophobicContact CG-CB 3.78Å; F206-A221 HydrophobicContact CZ-CB 4.49Å; F206-L224 HydrophobicContact CE2-CB 4.25Å; F206-L224 HydrophobicContact CE2-CD1 4.17Å; F206-L224 HydrophobicContact CZ-CD1 4.27Å; F206-F504 HydrophobicContact CE1-CE1 4Å; F206-F504 HydrophobicContact CE1-CZ 4.46Å; F206-F504 AromaticContact CE2-CE1 3.67Å; F206-F504 HydrophobicContact CE2-CE1 3.67Å; F206-F504 HydrophobicContact CE2-CZ 4.34Å; F206-F504 AromaticContact CZ-CD1 3.73Å; F206-F504 HydrophobicContact CZ-CD1 3.73Å; F206-F504 AromaticContact CZ-CE1 3.12Å; F206-F504 HydrophobicContact CZ-CE1 3.12Å; F206-F504 AromaticContact CZ-CZ 3.86Å; F206-F504 HydrophobicContact CZ-CZ 3.86Å; F206-W560 HydrophobicContact CB-CH2 4.17Å; F206-W560 HydrophobicContact CB-CZ3 4.41Å; F206-W560 HydrophobicContact CD2-CE3 4.15Å; F206-W560 AromaticContact CD2-CH2 3.06Å; F206-W560 HydrophobicContact CD2-CH2 3.06Å; F206-W560 AromaticContact CD2-CZ2 3.56Å; F206-W560 HydrophobicContact CD2-CZ2 3.56Å; F206-W560 AromaticContact CD2-CZ3 3.38Å; F206-W560 HydrophobicContact CD2-CZ3 3.38Å; F206-W560 HydrophobicContact CE2-CD2 4.23Å; F206-W560 HydrophobicContact CE2-CE3 4.03Å; F206-W560 AromaticContact CE2-CH2 3.64Å; F206-W560 HydrophobicContact CE2-CH2 3.64Å; F206-W560 AromaticContact CE2-CZ2 3.8Å; F206-W560 HydrophobicContact CE2-CZ2 3.8Å; F206-W560 AromaticContact CE2-CZ3 3.73Å; F206-W560 HydrophobicContact CE2-CZ3 3.73Å; F206-W560 AromaticContact CG-CH2 3.79Å; F206-W560 HydrophobicContact CG-CH2 3.79Å; F206-W560 AromaticContact CG-CZ3 3.84Å; F206-W560 HydrophobicContact CG-CZ3 3.84Å; F206-W560 HydrophobicContact CZ-CZ3 4.49Å
207	D	95.3	Very high	93.2	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	116.6	161.2	-167.3	19	0	0	0	108.5	K145 T146 M149 T171 S186 T187	K145-D207 WeakPolarHBondContact CB-OD1 3.16Å; T146-D207 VanDerWaalsContact CA-OD2 3.31Å; T146-D207 WeakPolarHBondContact CA-OD2 2.87Å; T146-D207 PolarHBondContact OG1-OD2 2.99Å; M149-D207 HydrophobicContact CG-CB 4.04Å; T171-D207 WeakPolarHBondContact CB-OD2 3.37Å; T171-D207 HydrophobicContact CG2-CB 4.07Å; T171-D207 PolarHBondContact OG1-OD2 3.4Å; S186-D207 CarbonylContact C-O 3.59Å; S186-D207 VanDerWaalsContact CA-O 3.29Å; S186-D207 WeakPolarHBondContact CA-O 3.27Å; T187-D207 PolarHBondContact N-O 3.15Å; T187-D207 PolarHBondContact O-N 2.82Å
208	T	95.1	Very high	93.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.07	C	C	.	.			trans	-106.9	148.3	-177.5	61.9	0	0	0	0	111.7	V136 L137 K145 F206 A221	V136-T208 HydrophobicContact CG1-CG2 3.48Å; V136-T208 VanDerWaalsContact CG1-CG2 3.48Å; L137-T208 PolarHBondContact O-N 3.34Å; L137-T208 PolarHBondContact O-OG1 3.41Å; K145-T208 WeakPolarHBondContact CE-O 3.02Å; F206-T208 HydrophobicContact CB-CG2 4.3Å; T208-A221 HydrophobicContact CG2-CB 3.65Å
209	P	94.3	Very high	94.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.			trans	-63.4	140.8	177.9	28.6	-37.4	0	0	0	111.3	S183 F214 E217	S183-P209 WeakPolarHBondContact O-CB 3.46Å; P209-F214 HydrophobicContact CB-CB 3.78Å; P209-F214 HydrophobicContact CB-CD2 4.41Å; P209-F214 HydrophobicContact CB-CG 4.44Å; P209-F214 HydrophobicContact CG-CB 3.49Å; P209-F214 VanDerWaalsContact CG-CB 3.49Å; P209-F214 WeakPolarHBondContact CG-O 3.36Å; P209-E217 HydrophobicContact CG-CB 3.53Å; P209-E217 HydrophobicContact CG-CG 3.94Å
210	G	90.4	Very high	94.3	Very high	5 Å²	5	5.1 Å²	5.1	5%	0.052	3%	0.029	C	C	.	.			trans	-86.9	-15.1	179.3	0	0	0	0	0	114.9	G139 H140 L141 N241	G139-G210 WeakPolarHBondContact O-CA 3.47Å; H140-G210 CarbonylContact C-O 3.38Å; L141-G210 PolarHBondContact N-O 2.82Å; L141-G210 VanDerWaalsContact N-O 3.07Å; G210-N241 PolarHBondContact O-ND2 3.05Å
211	H	93.7	Very high	94.4	Very high	9 Å²	9	3.8 Å²	3.8	4%	0.042	2%	0.02	C	C	.	.	S	Bend	trans	-78.3	135.6	-177.3	-166.7	-74.9	0	0	0	110.3	L141 N213 F214 M908	L141-H211 HydrophobicContact CD1-CB 4.24Å; H211-N213 VanDerWaalsContact C-N 3.27Å; H211-N213 VanDerWaalsContact CE1-CG 3.44Å; H211-N213 PolarHBondContact CE1-ND2 2.82Å; H211-N213 WeakPolarHBondContact ND1-CB 3.31Å; H211-N213 PolarHBondContact ND1-N 2.87Å; H211-N213 VanDerWaalsContact ND1-N 3.17Å; H211-N213 PolarHBondContact O-N 2.86Å; H211-F214 HydrophobicContact CB-CD2 3.93Å; H211-F214 HydrophobicContact CB-CE2 4.43Å; H211-F214 PolarHBondContact O-N 3.17Å; H211-M908 HydrophobicContact CB-CE 4.49Å
212	V	92.1	Very high	94.4	Very high	2 Å²	2	2.4 Å²	2.4	1%	0.012	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-63.2	-33.3	-172.1	179.1	0	0	0	0	112.7	F214 S215 N241 M908 V910	V212-F214 PolarHBondContact O-N 3.01Å; V212-S215 VanDerWaalsContact O-CB 3.23Å; V212-S215 WeakPolarHBondContact O-CB 3.15Å; V212-S215 PolarHBondContact O-N 3.5Å; V212-S215 VanDerWaalsContact O-N 3.09Å; V212-S215 PolarHBondContact O-OG 2.86Å; V212-N241 HydrophobicContact CG2-CB 3.64Å; V212-M908 HydrophobicContact CB-CE 3.84Å; V212-M908 HydrophobicContact CG2-CB 4.47Å; V212-M908 HydrophobicContact CG2-CE 3.47Å; V212-M908 VanDerWaalsContact CG2-CE 3.47Å; V212-M908 VanDerWaalsContact N-CE 3.26Å; V212-V910 HydrophobicContact CG1-CB 3.57Å; V212-V910 HydrophobicContact CG1-CG2 3.33Å
213	N	92.3	Very high	94.3	Very high	14 Å²	14	2.9 Å²	2.9	8%	0.075	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-60.4	-25.4	175.8	-63.9	-4.4	0	0	0	114.1	H211 T642 Y646	H211-N213 VanDerWaalsContact C-N 3.27Å; H211-N213 VanDerWaalsContact CE1-CG 3.44Å; H211-N213 PolarHBondContact CE1-ND2 2.82Å; H211-N213 WeakPolarHBondContact ND1-CB 3.31Å; H211-N213 PolarHBondContact ND1-N 2.87Å; H211-N213 VanDerWaalsContact ND1-N 3.17Å; H211-N213 PolarHBondContact O-N 2.86Å; N213-T642 WeakPolarHBondContact CB-OG1 3.49Å; N213-T642 PolarHBondContact O-OG1 3.04Å; N213-Y646 VanDerWaalsContact O-CD2 3.25Å; N213-Y646 WeakPolarHBondContact O-CD2 3.03Å
214	F	94	Very high	94.2	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-101.2	27.7	176.8	-54.9	-67.4	0	0	0	112.1	L182 I184 P209 H211 V212 D216 E217 Y624 L645 Y646 C649	L182-F214 HydrophobicContact CD1-CE2 3.83Å; I184-F214 HydrophobicContact CB-CZ 4.5Å; I184-F214 HydrophobicContact CG1-CE2 4.28Å; I184-F214 HydrophobicContact CG1-CZ 4.24Å; I184-F214 HydrophobicContact CG2-CD1 4.14Å; I184-F214 HydrophobicContact CG2-CE1 3.72Å; I184-F214 HydrophobicContact CG2-CE2 4.48Å; I184-F214 HydrophobicContact CG2-CZ 3.93Å; P209-F214 HydrophobicContact CB-CB 3.78Å; P209-F214 HydrophobicContact CB-CD2 4.41Å; P209-F214 HydrophobicContact CB-CG 4.44Å; P209-F214 HydrophobicContact CG-CB 3.49Å; P209-F214 VanDerWaalsContact CG-CB 3.49Å; P209-F214 WeakPolarHBondContact CG-O 3.36Å; H211-F214 HydrophobicContact CB-CD2 3.93Å; H211-F214 HydrophobicContact CB-CE2 4.43Å; H211-F214 PolarHBondContact O-N 3.17Å; V212-F214 PolarHBondContact O-N 3.01Å; F214-D216 VanDerWaalsContact CA-OD1 3.3Å; F214-D216 WeakPolarHBondContact CA-OD1 3.16Å; F214-D216 PolarHBondContact O-N 3.45Å; F214-E217 HydrophobicContact CB-CG 4.29Å; F214-E217 WeakPolarHBondContact O-CB 3.25Å; F214-E217 PolarHBondContact O-N 3.01Å; F214-Y624 HydrophobicContact CE1-CE1 4.48Å; F214-L645 HydrophobicContact CE2-CD2 3.88Å; F214-L645 HydrophobicContact CE2-CG 4.21Å; F214-L645 HydrophobicContact CZ-CD2 4.45Å; F214-L645 HydrophobicContact CZ-CG 4.29Å; F214-Y646 AromaticContact CD1-CD2 3.46Å; F214-Y646 HydrophobicContact CD1-CD2 3.46Å; F214-Y646 VanDerWaalsContact CD1-CD2 3.46Å; F214-Y646 HydrophobicContact CD1-CE2 4.07Å; F214-Y646 HydrophobicContact CD1-CG 4.45Å; F214-Y646 AromaticContact CE1-CD2 3.56Å; F214-Y646 HydrophobicContact CE1-CD2 3.56Å; F214-Y646 HydrophobicContact CE1-CE2 4.4Å; F214-Y646 HydrophobicContact CE1-CG 4.15Å; F214-Y646 HydrophobicContact CG-CD2 4.49Å; F214-C649 HydrophobicContact CE1-CB 4.38Å; F214-C649 HydrophobicContact CZ-CB 4.23Å
215	S	92.4	Very high	94.1	Very high	6 Å²	6	2.9 Å²	2.9	4%	0.042	2%	0.016	C	C	.	.	H	α-helix	trans	-67.1	-13.3	177.7	53	0	0	0	0	113.8	V212 V218 T219 T594	V212-S215 VanDerWaalsContact O-CB 3.23Å; V212-S215 WeakPolarHBondContact O-CB 3.15Å; V212-S215 PolarHBondContact O-N 3.5Å; V212-S215 VanDerWaalsContact O-N 3.09Å; V212-S215 PolarHBondContact O-OG 2.86Å; S215-V218 WeakPolarHBondContact O-CB 2.87Å; S215-V218 PolarHBondContact O-N 3.41Å; S215-T219 PolarHBondContact O-N 2.85Å; S215-T219 VanDerWaalsContact O-N 3.1Å; S215-T219 PolarHBondContact O-OG1 3.31Å; S215-T594 VanDerWaalsContact OG-CG2 3.3Å; S215-T594 WeakPolarHBondContact OG-CG2 3.19Å
216	D	93.6	Very high	94	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-68.5	-36.9	171.3	63.7	-36.4	0	0	0	112.7	F214 V218 T219 A220 F592 P625 L626 Y646	F214-D216 VanDerWaalsContact CA-OD1 3.3Å; F214-D216 WeakPolarHBondContact CA-OD1 3.16Å; F214-D216 PolarHBondContact O-N 3.45Å; D216-V218 VanDerWaalsContact C-N 3.32Å; D216-V218 PolarHBondContact O-N 3.41Å; D216-T219 VanDerWaalsContact O-CB 3.27Å; D216-T219 WeakPolarHBondContact O-CB 3.23Å; D216-T219 PolarHBondContact O-N 3.26Å; D216-T219 VanDerWaalsContact O-N 3.15Å; D216-A220 PolarHBondContact O-N 3.02Å; D216-F592 HydrophobicContact CB-CD1 3.77Å; D216-F592 HydrophobicContact CB-CE1 3.71Å; D216-P625 HydrophobicContact CB-CB 4.39Å; D216-P625 WeakPolarHBondContact OD2-CD 3.47Å; D216-L626 HydrophobicContact CB-CB 3.35Å; D216-L626 HydrophobicContact CB-CD2 4.03Å; D216-L626 HydrophobicContact CB-CG 4.32Å; D216-L626 WeakPolarHBondContact OD2-CB 3.36Å; D216-L626 PolarHBondContact OD2-N 2.83Å; D216-L626 VanDerWaalsContact OD2-N 3.16Å; D216-Y646 PolarHBondContact OD2-OH 2.84Å
217	E	94.5	Very high	93.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.2	-41.7	171.1	-64.5	-77.2	177.9	0	0	111.7	S186 P209 F214 T219 A220 A221 K491	S186-E217 PolarHBondContact N-OE2 2.93Å; S186-E217 VanDerWaalsContact N-OE2 3.14Å; S186-E217 PolarHBondContact OG-OE2 3.26Å; P209-E217 HydrophobicContact CG-CB 3.53Å; P209-E217 HydrophobicContact CG-CG 3.94Å; F214-E217 HydrophobicContact CB-CG 4.29Å; F214-E217 WeakPolarHBondContact O-CB 3.25Å; F214-E217 PolarHBondContact O-N 3.01Å; E217-T219 VanDerWaalsContact C-N 3.28Å; E217-T219 PolarHBondContact O-N 3.02Å; E217-A220 PolarHBondContact O-N 3.35Å; E217-A221 WeakPolarHBondContact O-CB 3.42Å; E217-A221 PolarHBondContact O-N 3.31Å; E217-A221 VanDerWaalsContact O-N 3.07Å; E217-K491 WeakPolarHBondContact OE1-CE 3.48Å; E217-K491 IonicContact OE1-NZ 3.82Å; E217-K491 PolarHBondContact OE1-NZ 2.98Å; E217-K491 WeakPolarHBondContact OE2-CE 3.5Å; E217-K491 IonicContact OE2-NZ 2.96Å; E217-K491 PolarHBondContact OE2-NZ 3.29Å
218	V	95.1	Very high	93.9	Very high	3 Å²	3	2.6 Å²	2.6	2%	0.018	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-40.6	175	-175.7	0	0	0	0	110.2	C138 S215 D216 A221 F222 I245	C138-V218 HydrophobicContact CB-CG1 4.49Å; S215-V218 WeakPolarHBondContact O-CB 2.87Å; S215-V218 PolarHBondContact O-N 3.41Å; D216-V218 VanDerWaalsContact C-N 3.32Å; D216-V218 PolarHBondContact O-N 3.41Å; V218-A221 PolarHBondContact O-N 3.21Å; V218-F222 HydrophobicContact CG1-CD1 3.89Å; V218-F222 HydrophobicContact CG1-CD2 4.41Å; V218-F222 HydrophobicContact CG1-CE1 3.39Å; V218-F222 HydrophobicContact CG1-CE2 3.97Å; V218-F222 HydrophobicContact CG1-CG 4.38Å; V218-F222 HydrophobicContact CG1-CZ 3.44Å; V218-F222 VanDerWaalsContact CG1-CZ 3.44Å; V218-F222 WeakPolarHBondContact O-CB 3.42Å; V218-F222 VanDerWaalsContact O-CD1 3.23Å; V218-F222 WeakPolarHBondContact O-CD1 3.24Å; V218-F222 VanDerWaalsContact O-CG 3.31Å; V218-F222 WeakPolarHBondContact O-CG 3.46Å; V218-F222 PolarHBondContact O-N 2.92Å; V218-I245 HydrophobicContact CG1-CG1 4.48Å
219	T	94.3	Very high	94	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.006	2%	0.015	C	C	.	.	H	α-helix	trans	-62	-46.9	177.3	-51.9	0	0	0	0	111.7	S215 D216 E217 A221 F222 R223 H248 L590 N591 F592	S215-T219 PolarHBondContact O-N 2.85Å; S215-T219 VanDerWaalsContact O-N 3.1Å; S215-T219 PolarHBondContact O-OG1 3.31Å; D216-T219 VanDerWaalsContact O-CB 3.27Å; D216-T219 WeakPolarHBondContact O-CB 3.23Å; D216-T219 PolarHBondContact O-N 3.26Å; D216-T219 VanDerWaalsContact O-N 3.15Å; E217-T219 VanDerWaalsContact C-N 3.28Å; E217-T219 PolarHBondContact O-N 3.02Å; T219-A221 VanDerWaalsContact C-N 3.28Å; T219-A221 PolarHBondContact O-N 3Å; T219-F222 PolarHBondContact O-N 3.4Å; T219-R223 PolarHBondContact O-N 2.93Å; T219-H248 PolarHBondContact OG1-CE1 3.42Å; T219-L590 HydrophobicContact CG2-CB 4.03Å; T219-L590 HydrophobicContact CG2-CD2 4.43Å; T219-N591 WeakPolarHBondContact CG2-O 3.43Å; T219-F592 HydrophobicContact CG2-CD1 3.8Å; T219-F592 HydrophobicContact CG2-CE1 4.14Å
220	A	94.3	Very high	94.1	Very high	1 Å²	1	2.6 Å²	2.6	1%	0.008	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-37.1	178.4	0	0	0	0	0	112.1	D216 E217 T490 L590 P625	D216-A220 PolarHBondContact O-N 3.02Å; E217-A220 PolarHBondContact O-N 3.35Å; A220-T490 PolarHBondContact O-OG1 3.06Å; A220-T490 VanDerWaalsContact O-OG1 3.13Å; A220-L590 HydrophobicContact CB-CD1 3.98Å; A220-P625 HydrophobicContact CB-CG 4.32Å
221	A	95	Very high	94.4	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-72.4	-43.2	177.4	0	0	0	0	0	112.6	V136 F206 T208 E217 V218 T219 R223 L224 A225	V136-A221 HydrophobicContact CG1-CB 4.25Å; V136-A221 HydrophobicContact CG2-CB 3.92Å; F206-A221 HydrophobicContact CB-CB 4.06Å; F206-A221 HydrophobicContact CD1-CB 4.21Å; F206-A221 HydrophobicContact CD2-CB 3.76Å; F206-A221 HydrophobicContact CE2-CB 4.16Å; F206-A221 HydrophobicContact CG-CB 3.78Å; F206-A221 HydrophobicContact CZ-CB 4.49Å; T208-A221 HydrophobicContact CG2-CB 3.65Å; E217-A221 WeakPolarHBondContact O-CB 3.42Å; E217-A221 PolarHBondContact O-N 3.31Å; E217-A221 VanDerWaalsContact O-N 3.07Å; V218-A221 PolarHBondContact O-N 3.21Å; T219-A221 VanDerWaalsContact C-N 3.28Å; T219-A221 PolarHBondContact O-N 3Å; A221-R223 PolarHBondContact O-N 3.3Å; A221-L224 PolarHBondContact O-N 2.73Å; A221-L224 VanDerWaalsContact O-N 3.16Å; A221-A225 WeakPolarHBondContact O-CB 3.24Å; A221-A225 PolarHBondContact O-N 3.31Å; A221-A225 VanDerWaalsContact O-N 3.12Å
222	F	95	Very high	94.5	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-57.7	-38.1	178.1	-80.1	13.1	0	0	0	112.1	V136 C138 V218 T219 L224 A225 I228 I245 H248 A249 L254 K458	V136-F222 HydrophobicContact CB-CD1 4.21Å; V136-F222 HydrophobicContact CB-CE1 4.21Å; V136-F222 HydrophobicContact CG1-CD1 3.89Å; V136-F222 HydrophobicContact CG1-CE1 3.68Å; V136-F222 HydrophobicContact CG2-CD1 4.25Å; C138-F222 HydrophobicContact CB-CE1 4.08Å; C138-F222 HydrophobicContact CB-CZ 4.25Å; V218-F222 HydrophobicContact CG1-CD1 3.89Å; V218-F222 HydrophobicContact CG1-CD2 4.41Å; V218-F222 HydrophobicContact CG1-CE1 3.39Å; V218-F222 HydrophobicContact CG1-CE2 3.97Å; V218-F222 HydrophobicContact CG1-CG 4.38Å; V218-F222 HydrophobicContact CG1-CZ 3.44Å; V218-F222 VanDerWaalsContact CG1-CZ 3.44Å; V218-F222 WeakPolarHBondContact O-CB 3.42Å; V218-F222 VanDerWaalsContact O-CD1 3.23Å; V218-F222 WeakPolarHBondContact O-CD1 3.24Å; V218-F222 VanDerWaalsContact O-CG 3.31Å; V218-F222 WeakPolarHBondContact O-CG 3.46Å; V218-F222 PolarHBondContact O-N 2.92Å; T219-F222 PolarHBondContact O-N 3.4Å; F222-L224 VanDerWaalsContact C-N 3.32Å; F222-L224 PolarHBondContact O-N 2.93Å; F222-A225 PolarHBondContact O-N 2.82Å; F222-I228 HydrophobicContact CD1-CG2 3.96Å; F222-I228 HydrophobicContact CE1-CG2 3.6Å; F222-I228 HydrophobicContact CZ-CD1 4.46Å; F222-I228 HydrophobicContact CZ-CG2 3.91Å; F222-I245 HydrophobicContact CZ-CG2 3.93Å; F222-H248 AromaticContact CD2-ND1 3.97Å; F222-H248 HydrophobicContact CE2-CB 4.29Å; F222-A249 HydrophobicContact CE2-CB 4.07Å; F222-L254 HydrophobicContact CB-CD1 3.79Å; F222-L254 HydrophobicContact CD1-CD1 4.36Å; F222-L254 HydrophobicContact CD2-CD1 4.22Å; F222-L254 HydrophobicContact CG-CD1 3.89Å; F222-K458 PolarHBondContact O-NZ 3.36Å
223	R	93.8	Very high	94.7	Very high	11 Å²	11	1.8 Å²	1.8	4%	0.042	1%	0.01	C	C	.	.	H	α-helix	trans	-62.6	-38.4	-179.9	-176.4	56.8	62.4	76.5	-0.2	112.6	T219 A221 E252 K458 H488 T490 R588 P589 L590	T219-R223 PolarHBondContact O-N 2.93Å; A221-R223 PolarHBondContact O-N 3.3Å; R223-E252 IonicContact CZ-OE1 3.87Å; R223-E252 IonicContact CZ-OE2 3.67Å; R223-E252 IonicContact NE-OE1 2.75Å; R223-E252 IonicContact NE-OE2 2.73Å; R223-E252 PolarHBondContact NE-OE2 2.8Å; R223-E252 IonicContact NH2-OE1 3.21Å; R223-E252 PolarHBondContact NH2-OE1 3.36Å; R223-E252 IonicContact NH2-OE2 2.98Å; R223-K458 WeakPolarHBondContact O-CE 3.45Å; R223-K458 PolarHBondContact O-NZ 3.38Å; R223-H488 WeakPolarHBondContact CG-NE2 3.43Å; R223-T490 HydrophobicContact CB-CG2 4.07Å; R223-T490 HydrophobicContact CG-CG2 3.9Å; R223-R588 PolarHBondContact NH1-O 3.27Å; R223-P589 PolarHBondContact NH1-O 2.74Å; R223-P589 PolarHBondContact NH2-O 3.06Å; R223-L590 HydrophobicContact CB-CD2 3.72Å; R223-L590 HydrophobicContact CG-CD2 3.91Å
224	L	94.1	Very high	94.8	Very high	2 Å²	2	1.1 Å²	1.1	1%	0.01	1%	0.006	C	C	.	.	H	α-helix	trans	-85	-22.7	-179.5	-62	-176.6	0	0	0	114.2	F206 A221 F222 H488 T490 F504 R506 W560	F206-L224 HydrophobicContact CE2-CB 4.25Å; F206-L224 HydrophobicContact CE2-CD1 4.17Å; F206-L224 HydrophobicContact CZ-CD1 4.27Å; A221-L224 PolarHBondContact O-N 2.73Å; A221-L224 VanDerWaalsContact O-N 3.16Å; F222-L224 VanDerWaalsContact C-N 3.32Å; F222-L224 PolarHBondContact O-N 2.93Å; L224-H488 WeakPolarHBondContact CD2-O 3.46Å; L224-T490 HydrophobicContact CD1-CG2 4.44Å; L224-T490 WeakPolarHBondContact CD1-OG1 2.83Å; L224-T490 HydrophobicContact CD2-CG2 3.79Å; L224-T490 HydrophobicContact CG-CG2 3.9Å; L224-T490 WeakPolarHBondContact CG-OG1 3.43Å; L224-F504 HydrophobicContact CD1-CD1 3.58Å; L224-F504 HydrophobicContact CD1-CE1 3.54Å; L224-R506 HydrophobicContact CD2-CB 3.85Å; L224-R506 VanDerWaalsContact O-CD 3.3Å; L224-R506 WeakPolarHBondContact O-CD 3.37Å; L224-R506 PolarHBondContact O-NH1 3.23Å; L224-W560 PolarHBondContact O-NE1 2.64Å
225	A	94.5	Very high	94.7	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.			trans	-85.9	161.9	-174.5	0	0	0	0	0	114.5	V136 A221 F222 L254 K458 W560	V136-A225 HydrophobicContact CB-CB 4.37Å; V136-A225 HydrophobicContact CG2-CB 3.26Å; A221-A225 WeakPolarHBondContact O-CB 3.24Å; A221-A225 PolarHBondContact O-N 3.31Å; A221-A225 VanDerWaalsContact O-N 3.12Å; F222-A225 PolarHBondContact O-N 2.82Å; A225-L254 WeakPolarHBondContact O-CD2 3.23Å; A225-K458 WeakPolarHBondContact O-CE 3.4Å; A225-K458 PolarHBondContact O-NZ 3.36Å; A225-W560 HydrophobicContact CB-CZ2 4.28Å
226	D	94.4	Very high	94.6	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.011	C	C	.	.	S	Bend	trans	-105.7	-10.1	179.5	-66.7	-48.7	0	0	0	113.1	N134 P255 I448 P449 S454 R506	N134-D226 HydrophobicContact CB-CB 4.31Å; N134-D226 WeakPolarHBondContact CB-OD2 3.24Å; N134-D226 PolarHBondContact ND2-OD2 2.86Å; N134-D226 PolarHBondContact O-N 3.47Å; D226-P255 WeakPolarHBondContact O-CD 3.44Å; D226-P255 WeakPolarHBondContact O-CG 3.26Å; D226-I448 HydrophobicContact CB-CG2 4.4Å; D226-P449 HydrophobicContact CB-CG 4.5Å; D226-S454 WeakPolarHBondContact OD1-CB 3.36Å; D226-S454 PolarHBondContact OD1-OG 2.68Å; D226-R506 IonicContact OD1-CZ 2.64Å; D226-R506 IonicContact OD1-NH1 3.45Å; D226-R506 PolarHBondContact OD1-NH1 3.42Å; D226-R506 IonicContact OD1-NH2 2.72Å; D226-R506 PolarHBondContact OD1-NH2 3.16Å; D226-R506 IonicContact OD2-CZ 3.73Å; D226-R506 VanDerWaalsContact OD2-CZ 3.29Å; D226-R506 IonicContact OD2-NH1 2.84Å; D226-R506 PolarHBondContact OD2-NH1 2.84Å; D226-R506 VanDerWaalsContact OD2-NH1 3.07Å; D226-R506 IonicContact OD2-NH2 3.73Å; D226-R506 PolarHBondContact OD2-NH2 3.43Å
227	G	94	Very high	94.5	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	166.3	173.5	0	0	0	0	0	112	N134 V136	N134-G227 PolarHBondContact O-N 3.35Å; V136-G227 PolarHBondContact N-O 2.96Å; V136-G227 VanDerWaalsContact N-O 3.13Å
228	I	95.4	Very high	94.5	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142	-179.3	68.1	154.6	0	0	0	111.4	V136 F222 I245 A249 L254 P255 V256 T257	V136-I228 HydrophobicContact CB-CG2 4.37Å; F222-I228 HydrophobicContact CD1-CG2 3.96Å; F222-I228 HydrophobicContact CE1-CG2 3.6Å; F222-I228 HydrophobicContact CZ-CD1 4.46Å; F222-I228 HydrophobicContact CZ-CG2 3.91Å; I228-I245 HydrophobicContact CD1-CG2 4.25Å; I228-A249 HydrophobicContact CD1-CB 3.41Å; I228-A249 VanDerWaalsContact CD1-CB 3.41Å; I228-A249 HydrophobicContact CG1-CB 4.11Å; I228-L254 HydrophobicContact CG2-CB 4.24Å; I228-L254 HydrophobicContact CG2-CD1 3.72Å; I228-P255 PolarHBondContact N-O 2.62Å; I228-V256 HydrophobicContact CD1-CB 4.44Å; I228-V256 HydrophobicContact CD1-CG1 4.06Å; I228-V256 HydrophobicContact CD1-CG2 3.96Å; I228-V256 HydrophobicContact CG1-CB 4.23Å; I228-V256 HydrophobicContact CG1-CG1 4.19Å; I228-V256 HydrophobicContact CG1-CG2 3.97Å; I228-T257 PolarHBondContact O-N 3.42Å; I228-T257 PolarHBondContact O-OG1 2.98Å
229	C	96.2	Very high	94.3	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109	165.5	-178.3	0	0	0	0	108.8	V135 V136 L137 C138 T257 F440	V135-C229 HydrophobicContact CG1-CB 4.05Å; V136-C229 PolarHBondContact O-N 3.14Å; L137-C229 WeakPolarHBondContact CA-O 3.16Å; L137-C229 HydrophobicContact CD2-CB 3.68Å; C138-C229 PolarHBondContact N-O 3.03Å; C229-T257 CarbonylContact C-O 3.13Å; C229-T257 WeakPolarHBondContact CA-O 3.37Å; C229-T257 WeakPolarHBondContact CA-OG1 3.14Å; C229-F440 HydrophobicContact CB-CE2 4.32Å
230	L	96.8	Very high	94.2	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.1	-179.8	-178.9	65.1	0	0	0	110	C138 V232 T242 I245 L246 T257 L258 C259	C138-L230 CarbonylContact O-C 3.57Å; C138-L230 WeakPolarHBondContact O-CA 3.19Å; L230-V232 HydrophobicContact CD2-CG2 4.2Å; L230-V232 HydrophobicContact CG-CG2 4.04Å; L230-T242 HydrophobicContact CD1-CG2 4.08Å; L230-T242 HydrophobicContact CD2-CG2 3.77Å; L230-T242 HydrophobicContact CG-CG2 4.26Å; L230-I245 HydrophobicContact CD1-CG2 3.88Å; L230-L246 HydrophobicContact CD2-CD1 4.05Å; L230-L246 HydrophobicContact CD2-CD2 3.62Å; L230-L246 HydrophobicContact CD2-CG 3.81Å; L230-T257 PolarHBondContact N-O 2.78Å; L230-L258 HydrophobicContact CB-CD1 4.37Å; L230-L258 HydrophobicContact CD2-CD1 4.14Å; L230-L258 HydrophobicContact CG-CD1 4.27Å; L230-C259 PolarHBondContact O-N 2.9Å
231	L	96.8	Very high	94.1	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.1	173.3	-78.7	77.5	0	0	0	110.9	L137 C138 H143 K145 F148 C259	L137-L231 HydrophobicContact CB-CD1 4.27Å; L137-L231 HydrophobicContact CD2-CD1 4.21Å; C138-L231 PolarHBondContact O-N 3.27Å; H143-L231 HydrophobicContact CB-CB 4.42Å; H143-L231 PolarHBondContact ND1-O 3.1Å; K145-L231 HydrophobicContact CB-CD2 4.45Å; K145-L231 HydrophobicContact CG-CB 4.19Å; K145-L231 HydrophobicContact CG-CD1 4.43Å; K145-L231 HydrophobicContact CG-CD2 4.13Å; K145-L231 HydrophobicContact CG-CG 4.48Å; F148-L231 HydrophobicContact CB-CD2 3.9Å; F148-L231 HydrophobicContact CG-CD2 4.28Å; L231-C259 VanDerWaalsContact CA-O 3.32Å; L231-C259 WeakPolarHBondContact CA-O 3.33Å; L231-C259 HydrophobicContact CD1-CB 4.24Å; L231-C259 HydrophobicContact CG-CB 3.95Å
232	V	96.5	Very high	94	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.5	178	-178.1	0	0	0	0	109.7	H143 L230 G237 T242 L258 C259 N261 I284	H143-V232 WeakPolarHBondContact ND1-CA 3.43Å; L230-V232 HydrophobicContact CD2-CG2 4.2Å; L230-V232 HydrophobicContact CG-CG2 4.04Å; V232-G237 VanDerWaalsContact CG1-O 3.31Å; V232-G237 WeakPolarHBondContact CG1-O 3.46Å; V232-T242 HydrophobicContact CG2-CG2 3.96Å; V232-L258 HydrophobicContact CB-CD1 4.24Å; V232-L258 HydrophobicContact CG2-CD1 3.57Å; V232-C259 PolarHBondContact N-O 3.36Å; V232-N261 PolarHBondContact O-N 3.45Å; V232-I284 HydrophobicContact CB-CG2 4.46Å; V232-I284 HydrophobicContact CG1-CG2 3.79Å
233	D	95.4	Very high	93.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.6	171.8	-172.7	-22.2	0	0	0	109.8	H143 S235 E236 G237 N261 K262 R265	H143-D233 PolarHBondContact ND1-N 3.43Å; D233-S235 VanDerWaalsContact C-N 3.28Å; D233-S235 PolarHBondContact O-N 3.41Å; D233-S235 PolarHBondContact OD1-N 3.34Å; D233-S235 PolarHBondContact OD1-OG 3.36Å; D233-E236 HydrophobicContact CB-CB 4.29Å; D233-G237 WeakPolarHBondContact O-CA 3.48Å; D233-G237 PolarHBondContact O-N 2.94Å; D233-N261 WeakPolarHBondContact CA-O 3.49Å; D233-K262 VanDerWaalsContact OD2-CD 3.22Å; D233-K262 WeakPolarHBondContact OD2-CD 3.12Å; D233-K262 VanDerWaalsContact OD2-CE 3.24Å; D233-K262 WeakPolarHBondContact OD2-CE 3.22Å; D233-K262 IonicContact OD2-NZ 3.27Å; D233-K262 PolarHBondContact OD2-NZ 3.4Å; D233-R265 IonicContact OD1-NH1 3.33Å; D233-R265 IonicContact OD2-CZ 3.44Å; D233-R265 IonicContact OD2-NH1 2.86Å; D233-R265 PolarHBondContact OD2-NH1 3.32Å
234	V	94.5	Very high	93.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.8	-177.6	-149.3	0	0	0	0	113.2	I260 N261 I263 L266 K280 I281 I284	V234-I260 HydrophobicContact CB-CG2 4.13Å; V234-I260 HydrophobicContact CG1-CG2 3.88Å; V234-I260 HydrophobicContact CG2-CG2 3.31Å; V234-N261 WeakPolarHBondContact CG2-O 3.46Å; V234-N261 PolarHBondContact N-O 3.41Å; V234-I263 HydrophobicContact CG2-CB 4.36Å; V234-I263 HydrophobicContact CG2-CG1 3.65Å; V234-L266 HydrophobicContact CB-CD1 4.24Å; V234-L266 HydrophobicContact CB-CD2 4.16Å; V234-L266 HydrophobicContact CB-CG 4.08Å; V234-L266 HydrophobicContact CG1-CD1 3.55Å; V234-L266 HydrophobicContact CG1-CD2 4Å; V234-L266 HydrophobicContact CG1-CG 3.91Å; V234-K280 HydrophobicContact CG1-CG 4.49Å; V234-K280 WeakPolarHBondContact O-CE 3.41Å; V234-I281 HydrophobicContact CG1-CG1 3.73Å; V234-I284 HydrophobicContact CB-CD1 4.44Å; V234-I284 HydrophobicContact CG1-CD1 3.8Å
235	S	91.7	Very high	93.7	Very high	3 Å²	3	5.9 Å²	5.9	2%	0.021	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-47	178.5	63.8	0	0	0	0	111.7	D233 R265 K280	D233-S235 VanDerWaalsContact C-N 3.28Å; D233-S235 PolarHBondContact O-N 3.41Å; D233-S235 PolarHBondContact OD1-N 3.34Å; D233-S235 PolarHBondContact OD1-OG 3.36Å; S235-R265 PolarHBondContact OG-NE 3.17Å; S235-R265 PolarHBondContact OG-NH1 2.96Å; S235-K280 PolarHBondContact O-NZ 2.73Å; S235-K280 VanDerWaalsContact O-NZ 3.16Å
236	E	90.9	Very high	93.7	Very high	29 Å²	29	5.9 Å²	5.9	14%	0.136	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-42.4	-176.8	-67	172.9	-152.5	0	0	110.9	H143 D233 L239 R265 I873	H143-E236 IonicContact CD2-OE2 3.42Å; H143-E236 IonicContact NE2-OE2 2.7Å; D233-E236 HydrophobicContact CB-CB 4.29Å; E236-L239 HydrophobicContact CB-CD1 4.1Å; E236-L239 WeakPolarHBondContact OE2-CD1 3.46Å; E236-R265 IonicContact OE1-NH1 2.73Å; E236-R265 PolarHBondContact OE1-NH1 2.89Å; E236-I873 VanDerWaalsContact O-CG2 3.26Å; E236-I873 WeakPolarHBondContact O-CG2 3.4Å
237	G	92.4	Very high	93.4	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.01	4%	0.039	C	C	.	.			trans	84.2	-150.1	-178.2	0	0	0	0	0	112.9	V232 D233	V232-G237 VanDerWaalsContact CG1-O 3.31Å; V232-G237 WeakPolarHBondContact CG1-O 3.46Å; D233-G237 WeakPolarHBondContact O-CA 3.48Å; D233-G237 PolarHBondContact O-N 2.94Å
238	V	93	Very high	93.3	Very high	12 Å²	12	8.6 Å²	8.6	7%	0.073	4%	0.04	C	C	.	.	S	Bend	trans	-80.4	133.5	178.9	-176	0	0	0	0	109.3	T242 E243 I284 E287 V288 I291	V238-T242 HydrophobicContact CG1-CG2 3.86Å; V238-E243 HydrophobicContact CG1-CG 3.99Å; V238-I284 HydrophobicContact CG2-CG2 4.37Å; V238-E287 HydrophobicContact CB-CG 4.07Å; V238-E287 WeakPolarHBondContact CB-OE2 3.32Å; V238-E287 HydrophobicContact CG2-CB 4.15Å; V238-E287 HydrophobicContact CG2-CG 3.91Å; V238-E287 WeakPolarHBondContact CG2-OE2 3.31Å; V238-V288 HydrophobicContact CG2-CG2 3.76Å; V238-I291 HydrophobicContact CG1-CD1 3.63Å
239	L	92.5	Very high	93.1	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	4%	0.04	C	C	.	.			trans	-131.4	174.7	-175.5	-64.7	172.5	0	0	0	109.8	H140 E236 N241 T242 E243 Q847 V880	H140-L239 HydrophobicContact CB-CB 4.42Å; H140-L239 HydrophobicContact CB-CD1 4.17Å; H140-L239 VanDerWaalsContact CD2-CB 3.48Å; H140-L239 WeakPolarHBondContact CD2-CB 3.37Å; H140-L239 WeakPolarHBondContact ND1-CD1 3.34Å; E236-L239 HydrophobicContact CB-CD1 4.1Å; E236-L239 WeakPolarHBondContact OE2-CD1 3.46Å; L239-N241 PolarHBondContact O-N 3Å; L239-T242 WeakPolarHBondContact O-CA 3.49Å; L239-T242 VanDerWaalsContact O-CB 3.25Å; L239-T242 WeakPolarHBondContact O-CB 2.97Å; L239-T242 PolarHBondContact O-N 3.17Å; L239-E243 PolarHBondContact O-N 3.2Å; L239-E243 VanDerWaalsContact O-N 3.12Å; L239-Q847 HydrophobicContact CD2-CG 4.44Å; L239-V880 HydrophobicContact CD2-CG2 4.37Å
240	L	90.2	Very high	92.7	Very high	5 Å²	5	9 Å²	9	3%	0.026	4%	0.042	C	C	.	.	H	α-helix	trans	-48.4	-52.7	-176.5	174.6	62.2	0	0	0	113.8	T242 E243 R244 L843 E845 M908 V910	L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.49Å; L240-E243 PolarHBondContact O-N 3.49Å; L240-R244 HydrophobicContact CD1-CG 4.35Å; L240-R244 VanDerWaalsContact O-CG 3.29Å; L240-R244 WeakPolarHBondContact O-CG 3.39Å; L240-R244 PolarHBondContact O-N 2.89Å; L240-R244 VanDerWaalsContact O-N 3.12Å; L240-L843 HydrophobicContact CD1-CD2 3.62Å; L240-L843 HydrophobicContact CD1-CG 4.38Å; L240-E845 HydrophobicContact CB-CB 3.99Å; L240-E845 HydrophobicContact CB-CG 4.39Å; L240-E845 WeakPolarHBondContact CB-OE1 3.35Å; L240-E845 HydrophobicContact CD2-CB 3.97Å; L240-E845 PolarHBondContact N-OE1 3.1Å; L240-E845 PolarHBondContact N-OE2 3.47Å; L240-M908 HydrophobicContact CD2-CB 4.33Å; L240-V910 HydrophobicContact CD1-CG1 4.14Å; L240-V910 HydrophobicContact CD2-CB 4.32Å; L240-V910 HydrophobicContact CD2-CG1 3.65Å; L240-V910 HydrophobicContact CG-CG1 4.27Å
241	N	92.3	Very high	92.1	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.011	6%	0.058	C	C	.	.	H	α-helix	trans	-67	-31.4	-178.7	-157.9	24.9	0	0	0	112.4	H140 G210 V212 L239 R244 I245	H140-N241 HydrophobicContact CB-CB 4.39Å; H140-N241 VanDerWaalsContact CD2-CB 3.43Å; H140-N241 WeakPolarHBondContact CD2-CB 3.36Å; G210-N241 PolarHBondContact O-ND2 3.05Å; V212-N241 HydrophobicContact CG2-CB 3.64Å; L239-N241 PolarHBondContact O-N 3Å; N241-R244 PolarHBondContact O-N 3.36Å; N241-I245 VanDerWaalsContact O-CB 3.28Å; N241-I245 WeakPolarHBondContact O-CB 3.42Å; N241-I245 WeakPolarHBondContact O-CD1 3.48Å; N241-I245 WeakPolarHBondContact O-CG1 3.37Å; N241-I245 PolarHBondContact O-N 3.31Å
242	T	93.2	Very high	91.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.7	-47.3	177.1	-52.6	0	0	0	0	110.4	L230 V232 V238 L239 L240 R244 I245 L246	L230-T242 HydrophobicContact CD1-CG2 4.08Å; L230-T242 HydrophobicContact CD2-CG2 3.77Å; L230-T242 HydrophobicContact CG-CG2 4.26Å; V232-T242 HydrophobicContact CG2-CG2 3.96Å; V238-T242 HydrophobicContact CG1-CG2 3.86Å; L239-T242 WeakPolarHBondContact O-CA 3.49Å; L239-T242 VanDerWaalsContact O-CB 3.25Å; L239-T242 WeakPolarHBondContact O-CB 2.97Å; L239-T242 PolarHBondContact O-N 3.17Å; L240-T242 VanDerWaalsContact C-N 3.28Å; L240-T242 PolarHBondContact O-N 3.49Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 3.3Å; T242-I245 PolarHBondContact O-N 3.07Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 2.72Å
243	E	92	Very high	91.2	Very high	37 Å²	37	20.4 Å²	20.4	17%	0.173	9%	0.089	C	C	.	.	H	α-helix	trans	-59.4	-45.1	175.1	-65	-179.2	-173.4	0	0	111.9	V238 L239 L240 L246 K247 I291 R882	V238-E243 HydrophobicContact CG1-CG 3.99Å; L239-E243 PolarHBondContact O-N 3.2Å; L239-E243 VanDerWaalsContact O-N 3.12Å; L240-E243 PolarHBondContact O-N 3.49Å; E243-L246 PolarHBondContact O-N 2.98Å; E243-K247 PolarHBondContact O-N 2.78Å; E243-I291 HydrophobicContact CG-CD1 3.78Å; E243-R882 IonicContact OE1-CZ 3.54Å; E243-R882 IonicContact OE1-NH1 3.47Å; E243-R882 PolarHBondContact OE1-NH1 3.09Å; E243-R882 IonicContact OE1-NH2 2.72Å; E243-R882 PolarHBondContact OE1-NH2 2.86Å; E243-R882 IonicContact OE2-NH1 3.69Å; E243-R882 IonicContact OE2-NH2 3.63Å
244	R	91.9	Very high	91	Very high	29 Å²	29	20.8 Å²	20.8	11%	0.109	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-41.5	-179.4	-73.1	178.9	61.4	76.6	2.3	112.6	L240 N241 T242 K247 H248 N593 V910	L240-R244 HydrophobicContact CD1-CG 4.35Å; L240-R244 VanDerWaalsContact O-CG 3.29Å; L240-R244 WeakPolarHBondContact O-CG 3.39Å; L240-R244 PolarHBondContact O-N 2.89Å; L240-R244 VanDerWaalsContact O-N 3.12Å; N241-R244 PolarHBondContact O-N 3.36Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 3.3Å; R244-K247 PolarHBondContact O-N 2.79Å; R244-H248 WeakPolarHBondContact O-CB 3.44Å; R244-H248 PolarHBondContact O-N 3.03Å; R244-N593 PolarHBondContact NH2-O 3.02Å; R244-N593 PolarHBondContact O-ND2 2.88Å; R244-V910 VanDerWaalsContact CZ-CG2 3.42Å
245	I	93.9	Very high	90.9	Very high	5 Å²	5	23 Å²	23	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-45.2	176	-79.2	166	0	0	0	110.5	C138 V218 F222 I228 L230 N241 T242 H248 A249	C138-I245 HydrophobicContact CB-CD1 4.15Å; C138-I245 HydrophobicContact CB-CG2 4.14Å; C138-I245 VanDerWaalsContact SG-CG2 3.58Å; V218-I245 HydrophobicContact CG1-CG1 4.48Å; F222-I245 HydrophobicContact CZ-CG2 3.93Å; I228-I245 HydrophobicContact CD1-CG2 4.25Å; L230-I245 HydrophobicContact CD1-CG2 3.88Å; N241-I245 VanDerWaalsContact O-CB 3.28Å; N241-I245 WeakPolarHBondContact O-CB 3.42Å; N241-I245 WeakPolarHBondContact O-CD1 3.48Å; N241-I245 WeakPolarHBondContact O-CG1 3.37Å; N241-I245 PolarHBondContact O-N 3.31Å; T242-I245 PolarHBondContact O-N 3.07Å; I245-H248 PolarHBondContact O-N 3.2Å; I245-A249 WeakPolarHBondContact O-CB 3.47Å; I245-A249 PolarHBondContact O-N 2.78Å
246	L	93.1	Very high	91	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-47.6	177.1	-73.9	170.9	0	0	0	111.6	L230 T242 E243 H248 A249 L250 V256 V288 I291 L292	L230-L246 HydrophobicContact CD2-CD1 4.05Å; L230-L246 HydrophobicContact CD2-CD2 3.62Å; L230-L246 HydrophobicContact CD2-CG 3.81Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 2.72Å; E243-L246 PolarHBondContact O-N 2.98Å; L246-H248 VanDerWaalsContact C-N 3.28Å; L246-H248 PolarHBondContact O-N 2.84Å; L246-A249 PolarHBondContact O-N 3.08Å; L246-L250 WeakPolarHBondContact O-CG 3.25Å; L246-L250 PolarHBondContact O-N 3.15Å; L246-L250 VanDerWaalsContact O-N 3.15Å; L246-V256 HydrophobicContact CD2-CG1 3.81Å; L246-V256 HydrophobicContact CD2-CG2 4.48Å; L246-V288 HydrophobicContact CD1-CG1 4.08Å; L246-V288 HydrophobicContact CD2-CG1 4.41Å; L246-I291 HydrophobicContact CB-CG2 3.99Å; L246-I291 HydrophobicContact CD1-CB 4.21Å; L246-I291 HydrophobicContact CD1-CD1 4.37Å; L246-I291 HydrophobicContact CD1-CG2 3.76Å; L246-L292 HydrophobicContact CD2-CD2 3.86Å; L246-L292 HydrophobicContact CD2-CG 4.28Å
247	K	89.7	Confident	91.2	Very high	53 Å²	53	22 Å²	22	23%	0.23	10%	0.1	C	C	.	.	H	α-helix	trans	-54.9	-46.7	174.6	-179.2	-177.4	176.9	-174.7	0	111.1	E243 R244 Q251 Y295	E243-K247 PolarHBondContact O-N 2.78Å; R244-K247 PolarHBondContact O-N 2.79Å; K247-Q251 WeakPolarHBondContact O-CG 3.26Å; K247-Q251 PolarHBondContact O-N 3.45Å; K247-Q251 VanDerWaalsContact O-N 3.16Å; K247-Y295 HydrophobicContact CB-CD1 4.32Å; K247-Y295 HydrophobicContact CB-CD2 4.04Å; K247-Y295 HydrophobicContact CB-CE1 4.27Å; K247-Y295 HydrophobicContact CB-CE2 3.97Å; K247-Y295 HydrophobicContact CB-CG 4.22Å; K247-Y295 HydrophobicContact CD-CD1 4.23Å; K247-Y295 HydrophobicContact CD-CE1 3.74Å; K247-Y295 HydrophobicContact CG-CD1 3.89Å; K247-Y295 HydrophobicContact CG-CE1 3.88Å; K247-Y295 HydrophobicContact CG-CE2 4.48Å; K247-Y295 HydrophobicContact CG-CG 4.23Å
248	H	90.3	Very high	91.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-70.6	-40	-176.9	-169.8	-170.4	0	0	0	112.8	T219 F222 R244 I245 L246 L250 Q251 E252 N591	T219-H248 PolarHBondContact OG1-CE1 3.42Å; F222-H248 AromaticContact CD2-ND1 3.97Å; F222-H248 HydrophobicContact CE2-CB 4.29Å; R244-H248 WeakPolarHBondContact O-CB 3.44Å; R244-H248 PolarHBondContact O-N 3.03Å; I245-H248 PolarHBondContact O-N 3.2Å; L246-H248 VanDerWaalsContact C-N 3.28Å; L246-H248 PolarHBondContact O-N 2.84Å; H248-L250 VanDerWaalsContact C-N 3.29Å; H248-L250 PolarHBondContact O-N 2.89Å; H248-Q251 WeakPolarHBondContact O-CB 3.5Å; H248-Q251 PolarHBondContact O-N 2.99Å; H248-Q251 VanDerWaalsContact O-N 3.15Å; H248-E252 PolarHBondContact O-N 2.97Å; H248-N591 PolarHBondContact NE2-O 2.67Å
249	A	91.7	Very high	91.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-40.5	176.6	0	0	0	0	0	111.8	F222 I228 I245 L246 E252 R253 L254 V256	F222-A249 HydrophobicContact CE2-CB 4.07Å; I228-A249 HydrophobicContact CD1-CB 3.41Å; I228-A249 VanDerWaalsContact CD1-CB 3.41Å; I228-A249 HydrophobicContact CG1-CB 4.11Å; I245-A249 WeakPolarHBondContact O-CB 3.47Å; I245-A249 PolarHBondContact O-N 2.78Å; L246-A249 PolarHBondContact O-N 3.08Å; A249-E252 CarbonylContact O-C 3.58Å; A249-E252 PolarHBondContact O-N 3.44Å; A249-R253 PolarHBondContact O-N 3.27Å; A249-R253 VanDerWaalsContact O-N 3.1Å; A249-L254 PolarHBondContact O-N 3.19Å; A249-V256 HydrophobicContact CB-CG2 4.31Å
250	L	88.6	Confident	91.8	Very high	9 Å²	9	21.3 Å²	21.3	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-65.8	-39.9	174.8	-69.3	173.9	0	0	0	112.4	L246 H248 E252 R253 L292 P307	L246-L250 WeakPolarHBondContact O-CG 3.25Å; L246-L250 PolarHBondContact O-N 3.15Å; L246-L250 VanDerWaalsContact O-N 3.15Å; H248-L250 VanDerWaalsContact C-N 3.29Å; H248-L250 PolarHBondContact O-N 2.89Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-E252 PolarHBondContact O-N 3.19Å; L250-R253 PolarHBondContact O-N 3Å; L250-R253 VanDerWaalsContact O-N 3.09Å; L250-L292 HydrophobicContact CD1-CD2 3.86Å; L250-L292 HydrophobicContact CD2-CD2 4.1Å; L250-L292 HydrophobicContact CG-CD2 4.11Å; L250-P307 HydrophobicContact CD2-CG 3.82Å
251	Q	84.4	Confident	92.1	Very high	70 Å²	70	21 Å²	21	33%	0.327	10%	0.095	S	C	.	.	H	α-helix	trans	-62.5	-39.1	175.8	-73.4	175.4	-19.7	0	0	112.5	K247 H248 R253	K247-Q251 WeakPolarHBondContact O-CG 3.26Å; K247-Q251 PolarHBondContact O-N 3.45Å; K247-Q251 VanDerWaalsContact O-N 3.16Å; H248-Q251 WeakPolarHBondContact O-CB 3.5Å; H248-Q251 PolarHBondContact O-N 2.99Å; H248-Q251 VanDerWaalsContact O-N 3.15Å; Q251-R253 VanDerWaalsContact C-N 3.25Å; Q251-R253 PolarHBondContact O-N 3.1Å
252	E	87	Confident	92.2	Very high	17 Å²	17	22.7 Å²	22.7	8%	0.079	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	4.5	175.2	-71.5	-77.5	150.4	0	0	113.1	R223 H248 A249 L250 L254	R223-E252 IonicContact CZ-OE1 3.87Å; R223-E252 IonicContact CZ-OE2 3.67Å; R223-E252 IonicContact NE-OE1 2.75Å; R223-E252 IonicContact NE-OE2 2.73Å; R223-E252 PolarHBondContact NE-OE2 2.8Å; R223-E252 IonicContact NH2-OE1 3.21Å; R223-E252 PolarHBondContact NH2-OE1 3.36Å; R223-E252 IonicContact NH2-OE2 2.98Å; H248-E252 PolarHBondContact O-N 2.97Å; A249-E252 CarbonylContact O-C 3.58Å; A249-E252 PolarHBondContact O-N 3.44Å; L250-E252 VanDerWaalsContact C-N 3.34Å; L250-E252 PolarHBondContact O-N 3.19Å; E252-L254 HydrophobicContact CB-CD1 4.4Å; E252-L254 HydrophobicContact CB-CG 4.28Å; E252-L254 PolarHBondContact O-N 2.87Å
253	R	87.8	Confident	92.3	Very high	152 Å²	152	22.8 Å²	22.8	57%	0.574	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	39.9	178.5	-55	-178.4	178.6	-173.9	-4.7	114.2	A249 L250 Q251 T457	A249-R253 PolarHBondContact O-N 3.27Å; A249-R253 VanDerWaalsContact O-N 3.1Å; L250-R253 PolarHBondContact O-N 3Å; L250-R253 VanDerWaalsContact O-N 3.09Å; Q251-R253 VanDerWaalsContact C-N 3.25Å; Q251-R253 PolarHBondContact O-N 3.1Å; R253-T457 HydrophobicContact CB-CG2 4.01Å
254	L	90.7	Very high	92.4	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.042	10%	0.099	C	C	.	.			trans	-93.9	135	178.3	-62.3	177.3	0	0	0	111.3	F222 A225 I228 A249 E252	F222-L254 HydrophobicContact CB-CD1 3.79Å; F222-L254 HydrophobicContact CD1-CD1 4.36Å; F222-L254 HydrophobicContact CD2-CD1 4.22Å; F222-L254 HydrophobicContact CG-CD1 3.89Å; A225-L254 WeakPolarHBondContact O-CD2 3.23Å; I228-L254 HydrophobicContact CG2-CB 4.24Å; I228-L254 HydrophobicContact CG2-CD1 3.72Å; A249-L254 PolarHBondContact O-N 3.19Å; E252-L254 HydrophobicContact CB-CD1 4.4Å; E252-L254 HydrophobicContact CB-CG 4.28Å; E252-L254 PolarHBondContact O-N 2.87Å
255	P	92.4	Very high	92.5	Very high	45 Å²	45	22.6 Å²	22.6	29%	0.292	10%	0.101	S	C	.	.			trans	-66.5	144.7	169.6	27.2	-31.3	0	0	0	110.7	D226 I228 P449	D226-P255 WeakPolarHBondContact O-CD 3.44Å; D226-P255 WeakPolarHBondContact O-CG 3.26Å; I228-P255 PolarHBondContact N-O 2.62Å; P255-P449 HydrophobicContact CG-CG 4.21Å
256	V	93.6	Very high	92.4	Very high	11 Å²	11	22.4 Å²	22.4	7%	0.067	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.2	-174	-175.4	0	0	0	0	110.3	I228 L246 A249 L292	I228-V256 HydrophobicContact CD1-CB 4.44Å; I228-V256 HydrophobicContact CD1-CG1 4.06Å; I228-V256 HydrophobicContact CD1-CG2 3.96Å; I228-V256 HydrophobicContact CG1-CB 4.23Å; I228-V256 HydrophobicContact CG1-CG1 4.19Å; I228-V256 HydrophobicContact CG1-CG2 3.97Å; L246-V256 HydrophobicContact CD2-CG1 3.81Å; L246-V256 HydrophobicContact CD2-CG2 4.48Å; A249-V256 HydrophobicContact CB-CG2 4.31Å; V256-L292 HydrophobicContact CG2-CD2 4.22Å
257	T	95.2	Very high	92.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.1	165.4	64	0	0	0	0	109.8	I228 C229 L230 N315 M443 H447 I448	I228-T257 PolarHBondContact O-N 3.42Å; I228-T257 PolarHBondContact O-OG1 2.98Å; C229-T257 CarbonylContact C-O 3.13Å; C229-T257 WeakPolarHBondContact CA-O 3.37Å; C229-T257 WeakPolarHBondContact CA-OG1 3.14Å; L230-T257 PolarHBondContact N-O 2.78Å; T257-N315 WeakPolarHBondContact CA-O 3.4Å; T257-N315 HydrophobicContact CG2-CB 4.46Å; T257-M443 HydrophobicContact CG2-CG 4.14Å; T257-H447 HydrophobicContact CG2-CB 3.82Å; T257-I448 HydrophobicContact CG2-CD1 4.39Å; T257-I448 HydrophobicContact CG2-CG1 4.08Å
258	L	96.6	Very high	92.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	-175.2	176.7	70.7	0	0	0	111.1	L230 V232 I260 I285 V288 V309 N315 V316 C317	L230-L258 HydrophobicContact CB-CD1 4.37Å; L230-L258 HydrophobicContact CD2-CD1 4.14Å; L230-L258 HydrophobicContact CG-CD1 4.27Å; V232-L258 HydrophobicContact CB-CD1 4.24Å; V232-L258 HydrophobicContact CG2-CD1 3.57Å; L258-I260 HydrophobicContact CD2-CD1 4.08Å; L258-I260 HydrophobicContact CD2-CG1 3.98Å; L258-I260 HydrophobicContact CG-CG1 4.03Å; L258-I285 HydrophobicContact CD2-CG1 4.12Å; L258-V288 HydrophobicContact CD1-CG2 4.4Å; L258-V288 HydrophobicContact CD2-CG2 4.49Å; L258-V309 HydrophobicContact CB-CG1 3.57Å; L258-V309 HydrophobicContact CD2-CG1 3.84Å; L258-V309 HydrophobicContact CG-CG1 4.36Å; L258-N315 PolarHBondContact N-O 3.3Å; L258-V316 HydrophobicContact CB-CG1 4.47Å; L258-V316 HydrophobicContact CB-CG2 4.25Å; L258-V316 HydrophobicContact CD2-CG1 4.22Å; L258-V316 HydrophobicContact CD2-CG2 4.31Å; L258-V316 HydrophobicContact CG-CG1 4.39Å; L258-V316 CarbonylContact O-C 3.6Å; L258-V316 VanDerWaalsContact O-CA 3.24Å; L258-V316 WeakPolarHBondContact O-CA 3.39Å; L258-C317 PolarHBondContact O-N 3.12Å
259	C	96.7	Very high	92.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.5	171.5	178.9	0	0	0	0	109	L230 L231 V232 N261 C317	L230-C259 PolarHBondContact O-N 2.9Å; L231-C259 VanDerWaalsContact CA-O 3.32Å; L231-C259 WeakPolarHBondContact CA-O 3.33Å; L231-C259 HydrophobicContact CD1-CB 4.24Å; L231-C259 HydrophobicContact CG-CB 3.95Å; V232-C259 PolarHBondContact N-O 3.36Å; C259-N261 PolarHBondContact O-N 3Å; C259-C317 WeakPolarHBondContact CA-O 3.29Å; C259-C317 VanDerWaalsContact CA-SG 3.58Å; C259-C317 WeakPolarHBondContact CB-SG 3.37Å
260	I	96.8	Very high	92.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	100.4	176	-64.4	179.5	0	0	0	107	V234 L258 I263 I281 I285 V316 C317 F318 A319	V234-I260 HydrophobicContact CB-CG2 4.13Å; V234-I260 HydrophobicContact CG1-CG2 3.88Å; V234-I260 HydrophobicContact CG2-CG2 3.31Å; L258-I260 HydrophobicContact CD2-CD1 4.08Å; L258-I260 HydrophobicContact CD2-CG1 3.98Å; L258-I260 HydrophobicContact CG-CG1 4.03Å; I260-I263 HydrophobicContact CG2-CG1 4.38Å; I260-I281 HydrophobicContact CD1-CG2 3.83Å; I260-I285 HydrophobicContact CD1-CD1 3.85Å; I260-I285 HydrophobicContact CD1-CG1 3.66Å; I260-V316 HydrophobicContact CD1-CG1 3.99Å; I260-V316 HydrophobicContact CG1-CG1 4.25Å; I260-C317 PolarHBondContact N-O 3.4Å; I260-F318 HydrophobicContact CB-CD1 4.11Å; I260-F318 HydrophobicContact CD1-CD1 4.42Å; I260-F318 HydrophobicContact CD1-CE1 3.96Å; I260-F318 HydrophobicContact CG2-CD1 4.41Å; I260-A319 PolarHBondContact O-N 3.39Å
261	N	96.4	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	158.9	-173.4	-168.4	25.1	0	0	0	111.9	H143 V232 D233 V234 C259 A319 T321	H143-N261 PolarHBondContact O-ND2 3.03Å; V232-N261 PolarHBondContact O-N 3.45Å; D233-N261 WeakPolarHBondContact CA-O 3.49Å; V234-N261 WeakPolarHBondContact CG2-O 3.46Å; V234-N261 PolarHBondContact N-O 3.41Å; C259-N261 PolarHBondContact O-N 3Å; N261-A319 CarbonylContact C-O 3.42Å; N261-A319 VanDerWaalsContact CA-O 3.31Å; N261-A319 WeakPolarHBondContact CA-O 3.32Å; N261-A319 PolarHBondContact OD1-O 3.38Å; N261-T321 WeakPolarHBondContact ND2-CG2 3.47Å; N261-T321 PolarHBondContact ND2-OG1 3.08Å; N261-T321 VanDerWaalsContact ND2-OG1 3.08Å; N261-T321 WeakPolarHBondContact OD1-CG2 3.2Å; N261-T321 PolarHBondContact OD1-N 2.93Å; N261-T321 PolarHBondContact OD1-OG1 3.26Å
262	K	95.3	Very high	93.1	Very high	37 Å²	37	36.2 Å²	36.2	16%	0.161	17%	0.167	C	C	.	.			trans	67.3	37	-178.8	-46.5	-163	-157.5	157.7	0	114.6	H142 D233 D264 R265 A319	H142-K262 WeakPolarHBondContact O-CE 3.5Å; H142-K262 PolarHBondContact O-NZ 3.26Å; D233-K262 VanDerWaalsContact OD2-CD 3.22Å; D233-K262 WeakPolarHBondContact OD2-CD 3.12Å; D233-K262 VanDerWaalsContact OD2-CE 3.24Å; D233-K262 WeakPolarHBondContact OD2-CE 3.22Å; D233-K262 IonicContact OD2-NZ 3.27Å; D233-K262 PolarHBondContact OD2-NZ 3.4Å; K262-D264 WeakPolarHBondContact CA-OD1 3.24Å; K262-D264 PolarHBondContact O-N 3.47Å; K262-D264 VanDerWaalsContact O-N 3.14Å; K262-R265 HydrophobicContact CB-CG 3.99Å; K262-R265 HydrophobicContact CD-CG 4.47Å; K262-R265 WeakPolarHBondContact O-CB 3.49Å; K262-R265 PolarHBondContact O-N 2.94Å; K262-A319 PolarHBondContact N-O 3.12Å
263	I	94.7	Very high	93.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-28.8	177.4	-66.8	166.5	0	0	0	111.6	V234 I260 R265 L266 F318 A319	V234-I263 HydrophobicContact CG2-CB 4.36Å; V234-I263 HydrophobicContact CG2-CG1 3.65Å; I260-I263 HydrophobicContact CG2-CG1 4.38Å; I263-R265 PolarHBondContact O-N 3.41Å; I263-L266 WeakPolarHBondContact O-CB 3.47Å; I263-L266 PolarHBondContact O-N 3.09Å; I263-L266 VanDerWaalsContact O-N 3.08Å; I263-F318 HydrophobicContact CD1-CB 3.39Å; I263-F318 HydrophobicContact CD1-CD1 3.95Å; I263-F318 HydrophobicContact CD1-CG 4.11Å; I263-A319 PolarHBondContact N-O 2.97Å
264	D	93.3	Very high	93.7	Very high	17 Å²	17	33 Å²	33	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-30.7	173.8	58.3	-60.9	0	0	0	113.8	K262 L266 I267 I268 S320 Y323 F391	K262-D264 WeakPolarHBondContact CA-OD1 3.24Å; K262-D264 PolarHBondContact O-N 3.47Å; K262-D264 VanDerWaalsContact O-N 3.14Å; D264-L266 VanDerWaalsContact C-N 3.28Å; D264-L266 PolarHBondContact O-N 3.33Å; D264-I267 PolarHBondContact O-N 3.32Å; D264-I268 PolarHBondContact O-N 3.31Å; D264-S320 WeakPolarHBondContact OD1-CB 3.46Å; D264-S320 PolarHBondContact OD1-OG 2.88Å; D264-Y323 HydrophobicContact CB-CD2 3.55Å; D264-Y323 HydrophobicContact CB-CE2 3.55Å; D264-Y323 WeakPolarHBondContact OD2-CE2 3.47Å; D264-F391 HydrophobicContact CB-CE1 4.33Å; D264-F391 HydrophobicContact CB-CZ 3.9Å
265	R	93.5	Very high	93.8	Very high	44 Å²	44	36.3 Å²	36.3	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-33.2	175.4	-66	-177.5	74.9	-179.6	0.8	112.2	D233 S235 E236 K262 I263 I267 E269 L270	D233-R265 IonicContact OD1-NH1 3.33Å; D233-R265 IonicContact OD2-CZ 3.44Å; D233-R265 IonicContact OD2-NH1 2.86Å; D233-R265 PolarHBondContact OD2-NH1 3.32Å; S235-R265 PolarHBondContact OG-NE 3.17Å; S235-R265 PolarHBondContact OG-NH1 2.96Å; E236-R265 IonicContact OE1-NH1 2.73Å; E236-R265 PolarHBondContact OE1-NH1 2.89Å; K262-R265 HydrophobicContact CB-CG 3.99Å; K262-R265 HydrophobicContact CD-CG 4.47Å; K262-R265 WeakPolarHBondContact O-CB 3.49Å; K262-R265 PolarHBondContact O-N 2.94Å; I263-R265 PolarHBondContact O-N 3.41Å; R265-I267 PolarHBondContact O-N 2.93Å; R265-E269 HydrophobicContact CB-CB 4.39Å; R265-E269 WeakPolarHBondContact CG-OE2 3.47Å; R265-E269 IonicContact CZ-OE1 3.46Å; R265-E269 IonicContact CZ-OE2 3.55Å; R265-E269 IonicContact NE-OE1 3.16Å; R265-E269 IonicContact NE-OE2 3.65Å; R265-E269 PolarHBondContact NE-OE2 3.09Å; R265-E269 IonicContact NH2-OE1 3.66Å; R265-E269 PolarHBondContact NH2-OE1 2.82Å; R265-E269 IonicContact NH2-OE2 2.69Å; R265-E269 PolarHBondContact NH2-OE2 3.2Å; R265-E269 WeakPolarHBondContact O-CB 3.49Å; R265-E269 PolarHBondContact O-N 3.47Å; R265-E269 VanDerWaalsContact O-N 3.15Å; R265-L270 PolarHBondContact O-N 2.95Å
266	L	93.3	Very high	93.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-32.1	174.5	-60.3	-171	0	0	0	111.9	V234 I263 D264 L270 K271 L272 A277 K280 I281	V234-L266 HydrophobicContact CB-CD1 4.24Å; V234-L266 HydrophobicContact CB-CD2 4.16Å; V234-L266 HydrophobicContact CB-CG 4.08Å; V234-L266 HydrophobicContact CG1-CD1 3.55Å; V234-L266 HydrophobicContact CG1-CD2 4Å; V234-L266 HydrophobicContact CG1-CG 3.91Å; I263-L266 WeakPolarHBondContact O-CB 3.47Å; I263-L266 PolarHBondContact O-N 3.09Å; I263-L266 VanDerWaalsContact O-N 3.08Å; D264-L266 VanDerWaalsContact C-N 3.28Å; D264-L266 PolarHBondContact O-N 3.33Å; L266-L270 HydrophobicContact CD2-CD1 3.91Å; L266-K271 PolarHBondContact O-N 3.46Å; L266-K271 VanDerWaalsContact O-N 3.13Å; L266-L272 HydrophobicContact CD2-CD1 4.26Å; L266-L272 PolarHBondContact O-N 2.94Å; L266-A277 HydrophobicContact CB-CB 4.4Å; L266-A277 HydrophobicContact CD1-CB 3.83Å; L266-K280 HydrophobicContact CD2-CG 4.19Å; L266-I281 HydrophobicContact CD1-CD1 4.15Å; L266-I281 HydrophobicContact CD1-CG1 4.04Å
267	I	92.7	Very high	93.8	Very high	20 Å²	20	37.3 Å²	37.3	10%	0.103	19%	0.186	C	C	.	.	H	α-helix	trans	-90	-49.7	-171.5	-48.2	-175.8	0	0	0	110.8	D264 R265 K271 Y388 F391	D264-I267 PolarHBondContact O-N 3.32Å; R265-I267 PolarHBondContact O-N 2.93Å; I267-K271 WeakPolarHBondContact O-CA 3.39Å; I267-Y388 HydrophobicContact CB-CE1 4.47Å; I267-Y388 HydrophobicContact CB-CE2 4.45Å; I267-Y388 HydrophobicContact CD1-CD2 3.68Å; I267-Y388 HydrophobicContact CD1-CE2 3.68Å; I267-Y388 HydrophobicContact CD1-CG 4.43Å; I267-Y388 HydrophobicContact CG1-CD2 3.91Å; I267-Y388 HydrophobicContact CG1-CE1 4.31Å; I267-Y388 HydrophobicContact CG1-CE2 3.48Å; I267-Y388 VanDerWaalsContact CG1-CE2 3.48Å; I267-Y388 HydrophobicContact CG2-CD1 4.01Å; I267-Y388 HydrophobicContact CG2-CD2 4.36Å; I267-Y388 HydrophobicContact CG2-CE1 4.09Å; I267-Y388 HydrophobicContact CG2-CE2 4.48Å; I267-Y388 HydrophobicContact CG2-CG 4.16Å; I267-F391 HydrophobicContact CB-CD2 4.48Å; I267-F391 HydrophobicContact CD1-CD2 3.43Å; I267-F391 VanDerWaalsContact CD1-CD2 3.43Å; I267-F391 HydrophobicContact CD1-CE2 3.58Å; I267-F391 HydrophobicContact CD1-CG 4.38Å; I267-F391 HydrophobicContact CG2-CB 3.84Å; I267-F391 HydrophobicContact CG2-CD2 4.11Å; I267-F391 HydrophobicContact CG2-CG 4.08Å
268	I	91	Very high	93.8	Very high	61 Å²	61	37.3 Å²	37.3	31%	0.313	19%	0.186	S	C	.	.	H	α-helix	trans	-93	-43	-170.4	-57.8	177.9	0	0	0	111.7	D264 K271 Y323 F391	D264-I268 PolarHBondContact O-N 3.31Å; I268-K271 VanDerWaalsContact O-CE 3.25Å; I268-K271 WeakPolarHBondContact O-CE 3.26Å; I268-K271 WeakPolarHBondContact O-CG 3.49Å; I268-Y323 HydrophobicContact CD1-CE2 3.79Å; I268-Y323 WeakPolarHBondContact CD1-OH 3.26Å; I268-F391 HydrophobicContact CD1-CD1 3.78Å; I268-F391 HydrophobicContact CD1-CE1 3.79Å; I268-F391 HydrophobicContact CG1-CD1 4.19Å; I268-F391 HydrophobicContact CG1-CE1 4.49Å
269	E	91	Very high	93.7	Very high	111 Å²	111	42.3 Å²	42.3	52%	0.519	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-60.5	-172.9	-174.1	-178.7	158.5	0	0	111.2	R265	R265-E269 HydrophobicContact CB-CB 4.39Å; R265-E269 WeakPolarHBondContact CG-OE2 3.47Å; R265-E269 IonicContact CZ-OE1 3.46Å; R265-E269 IonicContact CZ-OE2 3.55Å; R265-E269 IonicContact NE-OE1 3.16Å; R265-E269 IonicContact NE-OE2 3.65Å; R265-E269 PolarHBondContact NE-OE2 3.09Å; R265-E269 IonicContact NH2-OE1 3.66Å; R265-E269 PolarHBondContact NH2-OE1 2.82Å; R265-E269 IonicContact NH2-OE2 2.69Å; R265-E269 PolarHBondContact NH2-OE2 3.2Å; R265-E269 WeakPolarHBondContact O-CB 3.49Å; R265-E269 PolarHBondContact O-N 3.47Å; R265-E269 VanDerWaalsContact O-N 3.15Å
270	L	91.5	Very high	93.5	Very high	40 Å²	40	42.8 Å²	42.8	21%	0.209	21%	0.208	C	C	.	.	S	Bend	trans	-78.4	-23.3	-179.8	-63.3	174.6	0	0	0	112.9	R265 L266 L272 G875	R265-L270 PolarHBondContact O-N 2.95Å; L266-L270 HydrophobicContact CD2-CD1 3.91Å; L270-L272 HydrophobicContact CB-CD1 4.49Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.9Å; L270-L272 HydrophobicContact CD1-CD1 4.42Å; L270-L272 PolarHBondContact O-N 2.77Å; L270-G875 WeakPolarHBondContact CD1-O 3.43Å
271	K	92.4	Very high	93.4	Very high	161 Å²	161	42.8 Å²	42.8	70%	0.7	21%	0.208	S	C	*	.			trans	50.7	39.5	-179.7	-59.6	177.8	-179.5	175.9	0	113	L266 I267 I268	L266-K271 PolarHBondContact O-N 3.46Å; L266-K271 VanDerWaalsContact O-N 3.13Å; I267-K271 WeakPolarHBondContact O-CA 3.39Å; I268-K271 VanDerWaalsContact O-CE 3.25Å; I268-K271 WeakPolarHBondContact O-CE 3.26Å; I268-K271 WeakPolarHBondContact O-CG 3.49Å
272	L	93.1	Very high	93.4	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	22%	0.219	C	C	.	.			trans	-69.7	141	179.4	-63.7	-176.7	0	0	0	110.2	L266 L270 D276 A277 Y388	L266-L272 HydrophobicContact CD2-CD1 4.26Å; L266-L272 PolarHBondContact O-N 2.94Å; L270-L272 HydrophobicContact CB-CD1 4.49Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.9Å; L270-L272 HydrophobicContact CD1-CD1 4.42Å; L270-L272 PolarHBondContact O-N 2.77Å; L272-D276 HydrophobicContact CB-CB 4.41Å; L272-A277 HydrophobicContact CB-CB 4.45Å; L272-Y388 WeakPolarHBondContact O-CE1 3.49Å; L272-Y388 PolarHBondContact O-OH 3.28Å
273	P	93.9	Very high	93.3	Very high	69 Å²	69	47.2 Å²	47.2	45%	0.448	23%	0.228	S	C	.	.			trans	-53.9	148	168.1	-24.8	34	0	0	0	111.6	M275 D276 A277	P273-M275 PolarHBondContact O-N 2.93Å; P273-D276 WeakPolarHBondContact CD-OD2 3.48Å; P273-D276 PolarHBondContact O-N 3.34Å; P273-A277 PolarHBondContact O-N 2.82Å
274	P	93.6	Very high	93.3	Very high	31 Å²	31	47.1 Å²	47.1	20%	0.201	23%	0.227	C	C	.	.	H	α-helix	trans	-53.7	-33.4	-179	-29.4	35.6	0	0	0	114.4	Y278 V380 L384 Y388	P274-Y278 PolarHBondContact O-N 3.08Å; P274-Y278 VanDerWaalsContact O-N 3.09Å; P274-V380 HydrophobicContact CB-CG1 3.43Å; P274-V380 VanDerWaalsContact CB-CG1 3.43Å; P274-L384 HydrophobicContact CB-CB 4.21Å; P274-L384 VanDerWaalsContact O-CD1 3.23Å; P274-L384 WeakPolarHBondContact O-CD1 3.41Å; P274-Y388 HydrophobicContact CG-CD1 3.79Å; P274-Y388 HydrophobicContact CG-CD2 4.35Å; P274-Y388 HydrophobicContact CG-CE1 3.96Å; P274-Y388 HydrophobicContact CG-CE2 4.46Å; P274-Y388 HydrophobicContact CG-CG 3.99Å
275	M	92.5	Very high	93.4	Very high	78 Å²	78	46.5 Å²	46.5	38%	0.384	22%	0.224	S	C	.	.	H	α-helix	trans	-67.8	-41	175.8	-69.1	-167.9	-112.4	0	0	112.8	P273 Y278 Y279 Q376 V380	P273-M275 PolarHBondContact O-N 2.93Å; M275-Y278 WeakPolarHBondContact O-CB 3.05Å; M275-Y278 PolarHBondContact O-N 2.94Å; M275-Y279 WeakPolarHBondContact O-CD2 3.19Å; M275-Y279 PolarHBondContact O-N 2.75Å; M275-Q376 HydrophobicContact CE-CG 4.07Å; M275-Q376 HydrophobicContact SD-CG 4.3Å; M275-V380 HydrophobicContact CG-CG1 4.3Å
276	D	93.2	Very high	93.5	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-74.2	-36.4	179.6	-64.3	-22	0	0	0	111.3	L272 P273 Y278 Y279 K280	L272-D276 HydrophobicContact CB-CB 4.41Å; P273-D276 WeakPolarHBondContact CD-OD2 3.48Å; P273-D276 PolarHBondContact O-N 3.34Å; D276-Y278 VanDerWaalsContact C-N 3.31Å; D276-Y278 PolarHBondContact O-N 3.41Å; D276-Y279 PolarHBondContact O-N 2.89Å; D276-Y279 VanDerWaalsContact O-N 3.17Å; D276-K280 PolarHBondContact O-N 3.24Å
277	A	94.1	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-42.6	170.2	0	0	0	0	0	111.9	L266 L272 P273 K280 I281 L384 Y388	L266-A277 HydrophobicContact CB-CB 4.4Å; L266-A277 HydrophobicContact CD1-CB 3.83Å; L272-A277 HydrophobicContact CB-CB 4.45Å; P273-A277 PolarHBondContact O-N 2.82Å; A277-K280 PolarHBondContact O-N 3.44Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.48Å; A277-I281 PolarHBondContact O-N 3.45Å; A277-L384 HydrophobicContact CB-CD1 4.26Å; A277-Y388 VanDerWaalsContact CB-OH 3.23Å; A277-Y388 WeakPolarHBondContact CB-OH 3.44Å
278	Y	94.6	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-44.3	173.1	169	-102.4	0	0	0	112.4	P274 M275 D276 K280 I281 K282 W354 G355 R377 F379 V380	P274-Y278 PolarHBondContact O-N 3.08Å; P274-Y278 VanDerWaalsContact O-N 3.09Å; M275-Y278 WeakPolarHBondContact O-CB 3.05Å; M275-Y278 PolarHBondContact O-N 2.94Å; D276-Y278 VanDerWaalsContact C-N 3.31Å; D276-Y278 PolarHBondContact O-N 3.41Å; Y278-K280 VanDerWaalsContact C-N 3.34Å; Y278-K280 PolarHBondContact O-N 2.99Å; Y278-I281 PolarHBondContact O-N 3.06Å; Y278-K282 HydrophobicContact CE1-CD 4.34Å; Y278-K282 WeakPolarHBondContact O-CB 3.34Å; Y278-K282 PolarHBondContact O-N 2.92Å; Y278-W354 HydrophobicContact CD2-CH2 4.12Å; Y278-W354 AromaticContact CD2-CZ3 3.92Å; Y278-W354 HydrophobicContact CD2-CZ3 3.92Å; Y278-W354 HydrophobicContact CE2-CD2 4.34Å; Y278-W354 AromaticContact CE2-CE3 3.94Å; Y278-W354 HydrophobicContact CE2-CE3 3.94Å; Y278-W354 AromaticContact CE2-CH2 3.71Å; Y278-W354 HydrophobicContact CE2-CH2 3.71Å; Y278-W354 HydrophobicContact CE2-CZ2 4.15Å; Y278-W354 AromaticContact CE2-CZ3 3.61Å; Y278-W354 HydrophobicContact CE2-CZ3 3.61Å; Y278-G355 WeakPolarHBondContact OH-CA 3.47Å; Y278-R377 HydrophobicContact CE1-CG 4.3Å; Y278-F379 HydrophobicContact CD2-CB 4.03Å; Y278-F379 AromaticContact CD2-CD1 3.53Å; Y278-F379 HydrophobicContact CD2-CD1 3.53Å; Y278-F379 HydrophobicContact CD2-CE1 4.3Å; Y278-F379 HydrophobicContact CD2-CG 4.03Å; Y278-F379 HydrophobicContact CE2-CB 4.06Å; Y278-F379 HydrophobicContact CE2-CD1 4.22Å; Y278-F379 HydrophobicContact CE2-CG 4.28Å; Y278-F379 HydrophobicContact CG-CD1 4.48Å; Y278-V380 HydrophobicContact CG-CG2 4.07Å
279	Y	93.8	Very high	93.7	Very high	104 Å²	104	48.3 Å²	48.3	41%	0.408	24%	0.236	S	C	.	.	H	α-helix	trans	-64.2	-37.6	177.3	-68.4	-55.6	0	0	0	112.6	M275 D276 K282 H283 R377	M275-Y279 WeakPolarHBondContact O-CD2 3.19Å; M275-Y279 PolarHBondContact O-N 2.75Å; D276-Y279 PolarHBondContact O-N 2.89Å; D276-Y279 VanDerWaalsContact O-N 3.17Å; Y279-K282 PolarHBondContact O-N 2.93Å; Y279-H283 VanDerWaalsContact O-CB 3.3Å; Y279-H283 WeakPolarHBondContact O-CB 3.39Å; Y279-H283 PolarHBondContact O-N 2.72Å; Y279-R377 PolarHBondContact OH-NH1 2.97Å; Y279-R377 PolarHBondContact OH-NH2 3.38Å
280	K	93.8	Very high	93.8	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-46.8	174.1	177.4	63	173.5	179.3	0	111.7	V234 S235 L266 D276 A277 Y278 H283 I284 S874	V234-K280 HydrophobicContact CG1-CG 4.49Å; V234-K280 WeakPolarHBondContact O-CE 3.41Å; S235-K280 PolarHBondContact O-NZ 2.73Å; S235-K280 VanDerWaalsContact O-NZ 3.16Å; L266-K280 HydrophobicContact CD2-CG 4.19Å; D276-K280 PolarHBondContact O-N 3.24Å; A277-K280 PolarHBondContact O-N 3.44Å; Y278-K280 VanDerWaalsContact C-N 3.34Å; Y278-K280 PolarHBondContact O-N 2.99Å; K280-H283 WeakPolarHBondContact O-CB 3.5Å; K280-H283 PolarHBondContact O-N 2.75Å; K280-I284 HydrophobicContact CD-CD1 4.5Å; K280-I284 HydrophobicContact CG-CD1 4.47Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 2.81Å; K280-I284 VanDerWaalsContact O-N 3.12Å; K280-S874 WeakPolarHBondContact CD-O 3.37Å; K280-S874 VanDerWaalsContact CE-O 3.27Å; K280-S874 WeakPolarHBondContact CE-O 3.16Å; K280-S874 PolarHBondContact NZ-O 2.61Å
281	I	94.9	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176.5	-66.5	169.2	0	0	0	110.6	V234 I260 L266 A277 Y278 H283 I284 I285 F318 W354 F379 L384	V234-I281 HydrophobicContact CG1-CG1 3.73Å; I260-I281 HydrophobicContact CD1-CG2 3.83Å; L266-I281 HydrophobicContact CD1-CD1 4.15Å; L266-I281 HydrophobicContact CD1-CG1 4.04Å; A277-I281 VanDerWaalsContact O-CG1 3.3Å; A277-I281 WeakPolarHBondContact O-CG1 3.48Å; A277-I281 PolarHBondContact O-N 3.45Å; Y278-I281 PolarHBondContact O-N 3.06Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.26Å; I281-I284 PolarHBondContact O-N 3.35Å; I281-I285 HydrophobicContact CG2-CD1 4.04Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.33Å; I281-F318 HydrophobicContact CG2-CD1 4.42Å; I281-F318 HydrophobicContact CG2-CE1 3.54Å; I281-F318 HydrophobicContact CG2-CZ 4.32Å; I281-W354 HydrophobicContact CB-CH2 4.44Å; I281-W354 HydrophobicContact CG2-CH2 3.69Å; I281-W354 HydrophobicContact CG2-CZ3 4.12Å; I281-F379 HydrophobicContact CD1-CE1 4.27Å; I281-L384 HydrophobicContact CD1-CD2 4.44Å
282	K	94.6	Very high	93.6	Very high	57 Å²	57	37.7 Å²	37.7	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-44.8	177	-177.4	-179.7	177	-179.9	0	111.3	Y278 Y279 I284 I285 D286 W354 D356	Y278-K282 HydrophobicContact CE1-CD 4.34Å; Y278-K282 WeakPolarHBondContact O-CB 3.34Å; Y278-K282 PolarHBondContact O-N 2.92Å; Y279-K282 PolarHBondContact O-N 2.93Å; K282-I284 VanDerWaalsContact C-N 3.34Å; K282-I284 PolarHBondContact O-N 3.38Å; K282-I285 PolarHBondContact O-N 2.7Å; K282-D286 WeakPolarHBondContact O-CB 3.47Å; K282-D286 VanDerWaalsContact O-CG 3.27Å; K282-D286 PolarHBondContact O-N 2.82Å; K282-W354 HydrophobicContact CB-CH2 4.41Å; K282-W354 HydrophobicContact CB-CZ2 4.24Å; K282-W354 HydrophobicContact CG-CZ2 4.49Å; K282-D356 IonicContact NZ-OD2 3.64Å
283	H	94.4	Very high	93.4	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.338	20%	0.204	S	C	.	.	H	α-helix	trans	-58.3	-43.4	178.1	178.6	55	0	0	0	112.4	Y279 K280 I281 I285 D286 E287 S874	Y279-H283 VanDerWaalsContact O-CB 3.3Å; Y279-H283 WeakPolarHBondContact O-CB 3.39Å; Y279-H283 PolarHBondContact O-N 2.72Å; K280-H283 WeakPolarHBondContact O-CB 3.5Å; K280-H283 PolarHBondContact O-N 2.75Å; I281-H283 VanDerWaalsContact C-N 3.34Å; I281-H283 PolarHBondContact O-N 3.26Å; H283-I285 PolarHBondContact O-N 3.21Å; H283-D286 PolarHBondContact O-N 2.86Å; H283-E287 WeakPolarHBondContact O-CB 3.23Å; H283-E287 PolarHBondContact O-N 2.78Å; H283-S874 WeakPolarHBondContact NE2-CB 3.33Å; H283-S874 PolarHBondContact NE2-OG 2.81Å; H283-S874 VanDerWaalsContact NE2-OG 3.07Å
284	I	95	Very high	93.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-44.2	176.6	-67.4	166.4	0	0	0	111.2	V232 V234 V238 K280 I281 K282 E287 V288	V232-I284 HydrophobicContact CB-CG2 4.46Å; V232-I284 HydrophobicContact CG1-CG2 3.79Å; V234-I284 HydrophobicContact CB-CD1 4.44Å; V234-I284 HydrophobicContact CG1-CD1 3.8Å; V238-I284 HydrophobicContact CG2-CG2 4.37Å; K280-I284 HydrophobicContact CD-CD1 4.5Å; K280-I284 HydrophobicContact CG-CD1 4.47Å; K280-I284 WeakPolarHBondContact O-CG1 3.4Å; K280-I284 PolarHBondContact O-N 2.81Å; K280-I284 VanDerWaalsContact O-N 3.12Å; I281-I284 PolarHBondContact O-N 3.35Å; K282-I284 VanDerWaalsContact C-N 3.34Å; K282-I284 PolarHBondContact O-N 3.38Å; I284-E287 PolarHBondContact O-N 3.38Å; I284-V288 WeakPolarHBondContact O-CG2 3.41Å; I284-V288 PolarHBondContact O-N 2.81Å
285	I	95.3	Very high	92.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-43.4	178.7	-65.9	162.2	0	0	0	110.6	L258 I260 I281 K282 H283 E287 V288 N289 V309 P311 W354	L258-I285 HydrophobicContact CD2-CG1 4.12Å; I260-I285 HydrophobicContact CD1-CD1 3.85Å; I260-I285 HydrophobicContact CD1-CG1 3.66Å; I281-I285 HydrophobicContact CG2-CD1 4.04Å; I281-I285 WeakPolarHBondContact O-CG1 3.49Å; I281-I285 PolarHBondContact O-N 3.33Å; K282-I285 PolarHBondContact O-N 2.7Å; H283-I285 PolarHBondContact O-N 3.21Å; I285-E287 VanDerWaalsContact C-N 3.34Å; I285-E287 PolarHBondContact O-N 3.03Å; I285-V288 PolarHBondContact O-N 3.19Å; I285-N289 WeakPolarHBondContact O-CB 3.34Å; I285-N289 PolarHBondContact O-N 3.27Å; I285-N289 PolarHBondContact O-ND2 2.88Å; I285-N289 VanDerWaalsContact O-ND2 3.15Å; I285-V309 WeakPolarHBondContact CG2-O 3.22Å; I285-P311 HydrophobicContact CD1-CG 3.61Å; I285-W354 HydrophobicContact CD1-CH2 3.66Å; I285-W354 HydrophobicContact CD1-CZ2 3.47Å; I285-W354 VanDerWaalsContact CD1-CZ2 3.47Å
286	D	94.4	Very high	91.8	Very high	82 Å²	82	39 Å²	39	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-39.1	178.9	-68.6	-18.5	0	0	0	111.3	K282 H283 N289 S290	K282-D286 WeakPolarHBondContact O-CB 3.47Å; K282-D286 VanDerWaalsContact O-CG 3.27Å; K282-D286 PolarHBondContact O-N 2.82Å; H283-D286 PolarHBondContact O-N 2.86Å; D286-N289 PolarHBondContact O-N 3.05Å; D286-S290 WeakPolarHBondContact O-CB 3.4Å; D286-S290 PolarHBondContact O-N 3.41Å
287	E	93.6	Very high	90.5	Very high	60 Å²	60	42.4 Å²	42.4	28%	0.28	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-46.4	176.4	-172.4	173.6	-162.7	0	0	112.2	V238 H283 I284 I285 N289 S290 I291	V238-E287 HydrophobicContact CB-CG 4.07Å; V238-E287 WeakPolarHBondContact CB-OE2 3.32Å; V238-E287 HydrophobicContact CG2-CB 4.15Å; V238-E287 HydrophobicContact CG2-CG 3.91Å; V238-E287 WeakPolarHBondContact CG2-OE2 3.31Å; H283-E287 WeakPolarHBondContact O-CB 3.23Å; H283-E287 PolarHBondContact O-N 2.78Å; I284-E287 PolarHBondContact O-N 3.38Å; I285-E287 VanDerWaalsContact C-N 3.34Å; I285-E287 PolarHBondContact O-N 3.03Å; E287-N289 VanDerWaalsContact C-N 3.31Å; E287-N289 PolarHBondContact O-N 3.18Å; E287-S290 WeakPolarHBondContact O-CB 3.39Å; E287-S290 PolarHBondContact O-N 3.11Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 WeakPolarHBondContact O-CD1 3.42Å; E287-I291 WeakPolarHBondContact O-CG1 3.49Å; E287-I291 PolarHBondContact O-N 2.92Å
288	V	94.4	Very high	88.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-43.7	174	170.4	0	0	0	0	110.9	V238 L246 L258 I284 I285 I291 L292	V238-V288 HydrophobicContact CG2-CG2 3.76Å; L246-V288 HydrophobicContact CD1-CG1 4.08Å; L246-V288 HydrophobicContact CD2-CG1 4.41Å; L258-V288 HydrophobicContact CD1-CG2 4.4Å; L258-V288 HydrophobicContact CD2-CG2 4.49Å; I284-V288 WeakPolarHBondContact O-CG2 3.41Å; I284-V288 PolarHBondContact O-N 2.81Å; I285-V288 PolarHBondContact O-N 3.19Å; V288-I291 PolarHBondContact O-N 3.49Å; V288-L292 HydrophobicContact CG1-CD1 3.96Å; V288-L292 HydrophobicContact CG1-CG 4.42Å; V288-L292 WeakPolarHBondContact O-CB 3.44Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 2.98Å
289	N	94	Very high	87.2	Confident	22 Å²	22	47.9 Å²	47.9	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-39.8	176.5	-76.4	-36	0	0	0	112.4	I285 D286 E287 I291 L292 L293 V309	I285-N289 WeakPolarHBondContact O-CB 3.34Å; I285-N289 PolarHBondContact O-N 3.27Å; I285-N289 PolarHBondContact O-ND2 2.88Å; I285-N289 VanDerWaalsContact O-ND2 3.15Å; D286-N289 PolarHBondContact O-N 3.05Å; E287-N289 VanDerWaalsContact C-N 3.31Å; E287-N289 PolarHBondContact O-N 3.18Å; N289-I291 VanDerWaalsContact C-N 3.3Å; N289-I291 PolarHBondContact O-N 3.22Å; N289-L292 PolarHBondContact O-N 2.98Å; N289-L293 WeakPolarHBondContact O-CB 3.48Å; N289-L293 VanDerWaalsContact O-CG 3.24Å; N289-L293 WeakPolarHBondContact O-CG 3.45Å; N289-L293 PolarHBondContact O-N 3.33Å; N289-V309 PolarHBondContact ND2-O 3.41Å; N289-V309 PolarHBondContact OD1-N 3.05Å; N289-V309 PolarHBondContact OD1-O 3.46Å
290	S	92.7	Very high	85.5	Confident	70 Å²	70	45.5 Å²	45.5	49%	0.49	27%	0.269	S	S	.	.	H	α-helix	trans	-59.9	-41.8	175.3	-171.7	0	0	0	0	111.7	D286 E287 T294	D286-S290 WeakPolarHBondContact O-CB 3.4Å; D286-S290 PolarHBondContact O-N 3.41Å; E287-S290 WeakPolarHBondContact O-CB 3.39Å; E287-S290 PolarHBondContact O-N 3.11Å; S290-T294 WeakPolarHBondContact O-CB 3.41Å; S290-T294 PolarHBondContact O-N 3.41Å; S290-T294 PolarHBondContact O-OG1 2.85Å
291	I	90.9	Very high	83.7	Confident	19 Å²	19	48 Å²	48	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-46.8	177	-69.1	159	0	0	0	110.8	V238 E243 L246 E287 V288 N289 L293 T294 Y295	V238-I291 HydrophobicContact CG1-CD1 3.63Å; E243-I291 HydrophobicContact CG-CD1 3.78Å; L246-I291 HydrophobicContact CB-CG2 3.99Å; L246-I291 HydrophobicContact CD1-CB 4.21Å; L246-I291 HydrophobicContact CD1-CD1 4.37Å; L246-I291 HydrophobicContact CD1-CG2 3.76Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 WeakPolarHBondContact O-CD1 3.42Å; E287-I291 WeakPolarHBondContact O-CG1 3.49Å; E287-I291 PolarHBondContact O-N 2.92Å; V288-I291 PolarHBondContact O-N 3.49Å; N289-I291 VanDerWaalsContact C-N 3.3Å; N289-I291 PolarHBondContact O-N 3.22Å; I291-L293 PolarHBondContact O-N 2.91Å; I291-T294 PolarHBondContact O-N 2.86Å; I291-Y295 HydrophobicContact CG2-CD2 3.63Å; I291-Y295 HydrophobicContact CG2-CE2 3.66Å; I291-Y295 VanDerWaalsContact O-CD2 3.23Å; I291-Y295 WeakPolarHBondContact O-CD2 3.41Å; I291-Y295 PolarHBondContact O-N 2.86Å; I291-Y295 VanDerWaalsContact O-N 3.09Å
292	L	89.8	Confident	81.6	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-44.6	178	-75.1	172	0	0	0	111.8	L246 L250 V256 V288 N289 Y295 S296 V309	L246-L292 HydrophobicContact CD2-CD2 3.86Å; L246-L292 HydrophobicContact CD2-CG 4.28Å; L250-L292 HydrophobicContact CD1-CD2 3.86Å; L250-L292 HydrophobicContact CD2-CD2 4.1Å; L250-L292 HydrophobicContact CG-CD2 4.11Å; V256-L292 HydrophobicContact CG2-CD2 4.22Å; V288-L292 HydrophobicContact CG1-CD1 3.96Å; V288-L292 HydrophobicContact CG1-CG 4.42Å; V288-L292 WeakPolarHBondContact O-CB 3.44Å; V288-L292 WeakPolarHBondContact O-CG 3.42Å; V288-L292 PolarHBondContact O-N 2.98Å; N289-L292 PolarHBondContact O-N 2.98Å; L292-Y295 PolarHBondContact O-N 3.37Å; L292-S296 WeakPolarHBondContact O-CB 3.24Å; L292-S296 PolarHBondContact O-N 3.47Å; L292-S296 PolarHBondContact O-OG 3.5Å; L292-V309 HydrophobicContact CD1-CB 4.44Å; L292-V309 HydrophobicContact CD1-CG2 3.59Å
293	L	88.2	Confident	79.6	Confident	66 Å²	66	57.1 Å²	57.1	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-60.5	-49.5	176.7	-72.2	170.3	0	0	0	111	N289 I291 Y295 S296 E297	N289-L293 WeakPolarHBondContact O-CB 3.48Å; N289-L293 VanDerWaalsContact O-CG 3.24Å; N289-L293 WeakPolarHBondContact O-CG 3.45Å; N289-L293 PolarHBondContact O-N 3.33Å; I291-L293 PolarHBondContact O-N 2.91Å; L293-Y295 VanDerWaalsContact C-N 3.32Å; L293-Y295 PolarHBondContact O-N 3.31Å; L293-S296 PolarHBondContact O-N 3.4Å; L293-S296 PolarHBondContact O-OG 3.29Å; L293-E297 PolarHBondContact O-N 3.06Å
294	T	87.1	Confident	77.3	Confident	87 Å²	87	62 Å²	62	53%	0.534	37%	0.368	S	S	.	.	H	α-helix	trans	-56.5	-44.2	-179.6	-55.9	0	0	0	0	112.3	S290 I291	S290-T294 WeakPolarHBondContact O-CB 3.41Å; S290-T294 PolarHBondContact O-N 3.41Å; S290-T294 PolarHBondContact O-OG1 2.85Å; I291-T294 PolarHBondContact O-N 2.86Å
295	Y	81.9	Confident	75.5	Confident	81 Å²	81	67.4 Å²	67.4	32%	0.318	40%	0.401	S	S	.	.	H	α-helix	trans	-85.4	-23.1	-177.9	-69.6	-58.6	0	0	0	113.9	K247 I291 L292 L293 E297 G298 A299	K247-Y295 HydrophobicContact CB-CD1 4.32Å; K247-Y295 HydrophobicContact CB-CD2 4.04Å; K247-Y295 HydrophobicContact CB-CE1 4.27Å; K247-Y295 HydrophobicContact CB-CE2 3.97Å; K247-Y295 HydrophobicContact CB-CG 4.22Å; K247-Y295 HydrophobicContact CD-CD1 4.23Å; K247-Y295 HydrophobicContact CD-CE1 3.74Å; K247-Y295 HydrophobicContact CG-CD1 3.89Å; K247-Y295 HydrophobicContact CG-CE1 3.88Å; K247-Y295 HydrophobicContact CG-CE2 4.48Å; K247-Y295 HydrophobicContact CG-CG 4.23Å; I291-Y295 HydrophobicContact CG2-CD2 3.63Å; I291-Y295 HydrophobicContact CG2-CE2 3.66Å; I291-Y295 VanDerWaalsContact O-CD2 3.23Å; I291-Y295 WeakPolarHBondContact O-CD2 3.41Å; I291-Y295 PolarHBondContact O-N 2.86Å; I291-Y295 VanDerWaalsContact O-N 3.09Å; L292-Y295 PolarHBondContact O-N 3.37Å; L293-Y295 VanDerWaalsContact C-N 3.32Å; L293-Y295 PolarHBondContact O-N 3.31Å; Y295-E297 VanDerWaalsContact C-N 3.34Å; Y295-G298 PolarHBondContact O-N 3.01Å; Y295-A299 PolarHBondContact O-N 3.37Å
296	S	77.1	Confident	73.8	Confident	4 Å²	4	72.2 Å²	72.2	3%	0.028	42%	0.423	C	S	.	.	H	α-helix	trans	-63.3	-39.9	175.9	69.7	0	0	0	0	112.2	L292 L293 G298 A299	L292-S296 WeakPolarHBondContact O-CB 3.24Å; L292-S296 PolarHBondContact O-N 3.47Å; L292-S296 PolarHBondContact O-OG 3.5Å; L293-S296 PolarHBondContact O-N 3.4Å; L293-S296 PolarHBondContact O-OG 3.29Å; S296-G298 VanDerWaalsContact C-N 3.33Å; S296-G298 PolarHBondContact O-N 3.15Å; S296-A299 PolarHBondContact O-N 2.9Å
297	E	66.7	Low	72.9	Confident	151 Å²	151	70.2 Å²	70.2	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-62.5	-41.3	175.8	-66.7	-178.2	175.3	0	0	111.4	L293 Y295 A299 G300	L293-E297 PolarHBondContact O-N 3.06Å; Y295-E297 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.27Å; E297-G300 PolarHBondContact O-N 2.87Å
298	G	59.7	Low	72.6	Confident	67 Å²	67	70.3 Å²	70.3	69%	0.691	42%	0.419	S	S	*	.	H	α-helix	trans	-69.1	-29.6	177.6	0	0	0	0	0	114.2	Y295 S296 G300	Y295-G298 PolarHBondContact O-N 3.01Å; S296-G298 VanDerWaalsContact C-N 3.33Å; S296-G298 PolarHBondContact O-N 3.15Å; G298-G300 PolarHBondContact O-N 3.36Å
299	A	59	Low	72.5	Confident	47 Å²	47	70.4 Å²	70.4	39%	0.388	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.2	179.3	0	0	0	0	0	113.6	Y295 S296 E297 I301	Y295-A299 PolarHBondContact O-N 3.37Å; S296-A299 PolarHBondContact O-N 2.9Å; E297-A299 PolarHBondContact O-N 3.27Å; A299-I301 VanDerWaalsContact C-N 3.26Å; A299-I301 HydrophobicContact CB-CD1 4.09Å; A299-I301 HydrophobicContact CB-CG1 4.08Å; A299-I301 PolarHBondContact O-N 3.02Å
300	G	57.5	Low	72.4	Confident	55 Å²	55	70.4 Å²	70.4	57%	0.567	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	23.5	-179.8	0	0	0	0	0	113.7	E297 G298 T302	E297-G300 PolarHBondContact O-N 2.87Å; G298-G300 PolarHBondContact O-N 3.36Å; G300-T302 PolarHBondContact O-N 2.8Å; G300-T302 VanDerWaalsContact O-N 3.11Å
301	I	57.2	Low	72.5	Confident	62 Å²	62	67.2 Å²	67.2	32%	0.318	40%	0.399	S	S	.	.			trans	-79.1	92.4	174.3	-57	171	0	0	0	106.8	A299 D303	A299-I301 VanDerWaalsContact C-N 3.26Å; A299-I301 HydrophobicContact CB-CD1 4.09Å; A299-I301 HydrophobicContact CB-CG1 4.08Å; A299-I301 PolarHBondContact O-N 3.02Å; I301-D303 VanDerWaalsContact C-N 3.31Å; I301-D303 HydrophobicContact CG2-CB 4.49Å
302	T	50.5	Low	72.5	Confident	131 Å²	131	70 Å²	70	80%	0.804	41%	0.414	S	S	*	.			trans	-87.9	-0.2	175.7	53.6	0	0	0	0	113.1	G300	G300-T302 PolarHBondContact O-N 2.8Å; G300-T302 VanDerWaalsContact O-N 3.11Å
303	D	51.2	Low	72.6	Confident	118 Å²	118	74.6 Å²	74.6	63%	0.631	44%	0.438	S	S	*	.	S	Bend	trans	-70.7	139.4	179.2	-80.1	-20.6	0	0	0	110.6	I301 T305	I301-D303 VanDerWaalsContact C-N 3.31Å; I301-D303 HydrophobicContact CG2-CB 4.49Å; D303-T305 PolarHBondContact O-N 2.99Å
304	D	46.2	Very low	72.7	Confident	177 Å²	177	72.1 Å²	72.1	95%	0.947	43%	0.428	S	S	*	.	S	Bend	trans	-55.6	-1.7	-176.4	-75.8	-37.3	0	0	0	115.2
305	T	57.8	Low	73	Confident	113 Å²	113	68.5 Å²	68.5	69%	0.693	41%	0.406	S	S	*	.			trans	-104	68.1	178	56.6	0	0	0	0	110.6	D303	D303-T305 PolarHBondContact O-N 2.99Å
306	Q	59.5	Low	73.7	Confident	104 Å²	104	64.7 Å²	64.7	49%	0.486	39%	0.391	S	S	.	.			trans	-56	131.7	166.7	-73	-176.2	-21.2	0	0	109.1	V308	Q306-V308 PolarHBondContact O-N 3.5Å
307	P	75.3	Confident	74.6	Confident	39 Å²	39	64.5 Å²	64.5	25%	0.253	39%	0.389	S	S	.	.			trans	-71	95.4	-179.7	28	-32.2	0	0	0	109.1	L250	L250-P307 HydrophobicContact CD2-CG 3.82Å
308	V	87.8	Confident	76	Confident	63 Å²	63	57.3 Å²	57.3	38%	0.382	36%	0.356	S	S	.	.			trans	-101.6	130	175.2	178.9	0	0	0	0	109.2	Q306 L313 N315	Q306-V308 PolarHBondContact O-N 3.5Å; V308-L313 WeakPolarHBondContact O-CD1 3.04Å; V308-N315 PolarHBondContact O-ND2 3.35Å
309	V	91.3	Very high	77.7	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	32%	0.323	C	S	.	.			trans	-99.2	118.9	176.8	176.6	0	0	0	0	109	L258 I285 N289 L292 V316	L258-V309 HydrophobicContact CB-CG1 3.57Å; L258-V309 HydrophobicContact CD2-CG1 3.84Å; L258-V309 HydrophobicContact CG-CG1 4.36Å; I285-V309 WeakPolarHBondContact CG2-O 3.22Å; N289-V309 PolarHBondContact ND2-O 3.41Å; N289-V309 PolarHBondContact OD1-N 3.05Å; N289-V309 PolarHBondContact OD1-O 3.46Å; L292-V309 HydrophobicContact CD1-CB 4.44Å; L292-V309 HydrophobicContact CD1-CG2 3.59Å; V309-V316 HydrophobicContact CG1-CG2 3.25Å
310	S	93.4	Very high	79.4	Confident	23 Å²	23	51.9 Å²	51.9	16%	0.161	30%	0.304	C	S	.	.			trans	-150	134.5	179.8	-174.4	0	0	0	0	111.6	L312 L313 G314 N315	S310-L312 PolarHBondContact O-N 3.04Å; S310-L312 PolarHBondContact OG-N 3Å; S310-L313 PolarHBondContact O-N 3.5Å; S310-G314 PolarHBondContact O-N 2.79Å; S310-N315 PolarHBondContact N-OD1 3.25Å; S310-N315 PolarHBondContact O-OD1 3.47Å
311	P	93.5	Very high	81	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.019	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.5	-27.6	173.8	-25.8	35.4	0	0	0	113.8	I285 L313 G314 V316 F318 L329 W354	I285-P311 HydrophobicContact CD1-CG 3.61Å; P311-L313 VanDerWaalsContact C-N 3.33Å; P311-G314 PolarHBondContact O-N 3.22Å; P311-V316 HydrophobicContact CB-CB 4.22Å; P311-V316 HydrophobicContact CG-CB 3.84Å; P311-V316 HydrophobicContact CG-CG1 4.05Å; P311-V316 HydrophobicContact CG-CG2 4.05Å; P311-F318 HydrophobicContact CB-CE2 4.1Å; P311-F318 HydrophobicContact CB-CZ 4.07Å; P311-F318 HydrophobicContact CG-CE2 4.29Å; P311-F318 HydrophobicContact CG-CZ 3.76Å; P311-L329 HydrophobicContact CB-CD1 3.79Å; P311-L329 HydrophobicContact CB-CG 4.04Å; P311-L329 VanDerWaalsContact O-CD1 3.3Å; P311-L329 WeakPolarHBondContact O-CD1 3.25Å; P311-W354 HydrophobicContact CB-CB 4.39Å; P311-W354 HydrophobicContact CB-CD2 3.94Å; P311-W354 HydrophobicContact CB-CE3 4.22Å; P311-W354 HydrophobicContact CB-CG 4Å; P311-W354 HydrophobicContact CG-CD2 3.72Å; P311-W354 HydrophobicContact CG-CE3 4.02Å; P311-W354 HydrophobicContact CG-CG 4.17Å; P311-W354 HydrophobicContact CG-CH2 4.39Å; P311-W354 HydrophobicContact CG-CZ2 4.08Å; P311-W354 HydrophobicContact CG-CZ3 4.34Å
312	L	92.4	Very high	82.5	Confident	78 Å²	78	50.6 Å²	50.6	41%	0.408	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-68.5	-30.2	176.6	-69.1	172.2	0	0	0	113.3	S310 G314 L329 G351 W354	S310-L312 PolarHBondContact O-N 3.04Å; S310-L312 PolarHBondContact OG-N 3Å; L312-G314 VanDerWaalsContact C-N 3.27Å; L312-L329 HydrophobicContact CD2-CD1 4.26Å; L312-G351 WeakPolarHBondContact CD2-O 3.4Å; L312-W354 HydrophobicContact CD2-CB 3.71Å; L312-W354 HydrophobicContact CG-CB 3.88Å; L312-W354 HydrophobicContact CG-CG 4.22Å
313	L	91.3	Very high	84.3	Confident	96 Å²	96	45 Å²	45	50%	0.503	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-79.4	-14.6	176.5	-62.9	175	0	0	0	111.7	V308 S310 P311 N315 H447	V308-L313 WeakPolarHBondContact O-CD1 3.04Å; S310-L313 PolarHBondContact O-N 3.5Å; P311-L313 VanDerWaalsContact C-N 3.33Å; L313-N315 VanDerWaalsContact C-N 3.34Å; L313-H447 PolarHBondContact O-CE1 3.15Å; L313-H447 PolarHBondContact O-NE2 3.15Å
314	G	91.3	Very high	86.2	Confident	15 Å²	15	40 Å²	40	16%	0.155	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	4.2	-175.6	0	0	0	0	0	114.4	S310 P311 L312 V316 M443	S310-G314 PolarHBondContact O-N 2.79Å; P311-G314 PolarHBondContact O-N 3.22Å; L312-G314 VanDerWaalsContact C-N 3.27Å; G314-V316 VanDerWaalsContact C-N 3.32Å; G314-M443 WeakPolarHBondContact O-CB 3.3Å; G314-M443 VanDerWaalsContact O-CG 3.23Å; G314-M443 WeakPolarHBondContact O-CG 3.47Å
315	N	93.4	Very high	88.4	Confident	11 Å²	11	31.7 Å²	31.7	6%	0.059	17%	0.172	C	C	.	.			trans	-88.6	5.9	176.8	64.2	-2.2	0	0	0	114.4	T257 L258 V308 S310 L313 H447	T257-N315 WeakPolarHBondContact CA-O 3.4Å; T257-N315 HydrophobicContact CG2-CB 4.46Å; L258-N315 PolarHBondContact N-O 3.3Å; V308-N315 PolarHBondContact O-ND2 3.35Å; S310-N315 PolarHBondContact N-OD1 3.25Å; S310-N315 PolarHBondContact O-OD1 3.47Å; L313-N315 VanDerWaalsContact C-N 3.34Å; N315-H447 HydrophobicContact CB-CB 4.35Å; N315-H447 PolarHBondContact N-NE2 3.25Å
316	V	95.9	Very high	90.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	171.9	-174	0	0	0	0	109.9	L258 I260 V309 P311 G314 F318	L258-V316 HydrophobicContact CB-CG1 4.47Å; L258-V316 HydrophobicContact CB-CG2 4.25Å; L258-V316 HydrophobicContact CD2-CG1 4.22Å; L258-V316 HydrophobicContact CD2-CG2 4.31Å; L258-V316 HydrophobicContact CG-CG1 4.39Å; L258-V316 CarbonylContact O-C 3.6Å; L258-V316 VanDerWaalsContact O-CA 3.24Å; L258-V316 WeakPolarHBondContact O-CA 3.39Å; I260-V316 HydrophobicContact CD1-CG1 3.99Å; I260-V316 HydrophobicContact CG1-CG1 4.25Å; V309-V316 HydrophobicContact CG1-CG2 3.25Å; P311-V316 HydrophobicContact CB-CB 4.22Å; P311-V316 HydrophobicContact CG-CB 3.84Å; P311-V316 HydrophobicContact CG-CG1 4.05Å; P311-V316 HydrophobicContact CG-CG2 4.05Å; G314-V316 VanDerWaalsContact C-N 3.32Å; V316-F318 HydrophobicContact CG1-CE1 4.35Å; V316-F318 HydrophobicContact CG1-CZ 4.29Å
317	C	95.4	Very high	91.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	157.4	167.5	68.8	0	0	0	0	111.8	L258 C259 I260 T328 M443	L258-C317 PolarHBondContact O-N 3.12Å; C259-C317 WeakPolarHBondContact CA-O 3.29Å; C259-C317 VanDerWaalsContact CA-SG 3.58Å; C259-C317 WeakPolarHBondContact CB-SG 3.37Å; I260-C317 PolarHBondContact N-O 3.4Å; C317-T328 HydrophobicContact CB-CG2 3.81Å; C317-M443 HydrophobicContact CB-CE 4.4Å; C317-M443 HydrophobicContact CB-SD 3.89Å
318	F	96.2	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.7	-176.4	-65.8	-67.5	0	0	0	107.8	I260 I263 I281 P311 V316 C326 F327 L329 W354 F379	I260-F318 HydrophobicContact CB-CD1 4.11Å; I260-F318 HydrophobicContact CD1-CD1 4.42Å; I260-F318 HydrophobicContact CD1-CE1 3.96Å; I260-F318 HydrophobicContact CG2-CD1 4.41Å; I263-F318 HydrophobicContact CD1-CB 3.39Å; I263-F318 HydrophobicContact CD1-CD1 3.95Å; I263-F318 HydrophobicContact CD1-CG 4.11Å; I281-F318 HydrophobicContact CG2-CD1 4.42Å; I281-F318 HydrophobicContact CG2-CE1 3.54Å; I281-F318 HydrophobicContact CG2-CZ 4.32Å; P311-F318 HydrophobicContact CB-CE2 4.1Å; P311-F318 HydrophobicContact CB-CZ 4.07Å; P311-F318 HydrophobicContact CG-CE2 4.29Å; P311-F318 HydrophobicContact CG-CZ 3.76Å; V316-F318 HydrophobicContact CG1-CE1 4.35Å; V316-F318 HydrophobicContact CG1-CZ 4.29Å; F318-C326 CarbonylContact O-C 3.24Å; F318-C326 WeakPolarHBondContact O-CA 3.34Å; F318-F327 HydrophobicContact CB-CD1 4.22Å; F318-F327 HydrophobicContact CB-CD2 3.91Å; F318-F327 HydrophobicContact CB-CE1 3.83Å; F318-F327 HydrophobicContact CB-CE2 3.48Å; F318-F327 VanDerWaalsContact CB-CE2 3.48Å; F318-F327 HydrophobicContact CB-CG 4.25Å; F318-F327 HydrophobicContact CB-CZ 3.43Å; F318-F327 VanDerWaalsContact CB-CZ 3.43Å; F318-F327 AromaticContact CD2-CD2 3.97Å; F318-F327 HydrophobicContact CD2-CD2 3.97Å; F318-F327 AromaticContact CD2-CE2 3.51Å; F318-F327 HydrophobicContact CD2-CE2 3.51Å; F318-F327 HydrophobicContact CD2-CZ 4.24Å; F318-F327 HydrophobicContact CG-CD2 4.39Å; F318-F327 AromaticContact CG-CE2 3.77Å; F318-F327 HydrophobicContact CG-CE2 3.77Å; F318-F327 HydrophobicContact CG-CZ 4.03Å; F318-F327 PolarHBondContact N-O 3.07Å; F318-F327 PolarHBondContact O-N 3.05Å; F318-L329 HydrophobicContact CE2-CD2 4.17Å; F318-W354 HydrophobicContact CZ-CE3 4.29Å; F318-W354 AromaticContact CZ-CZ3 3.94Å; F318-W354 HydrophobicContact CZ-CZ3 3.94Å; F318-F379 HydrophobicContact CD2-CE2 4.42Å; F318-F379 HydrophobicContact CD2-CZ 4.43Å; F318-F379 HydrophobicContact CE1-CZ 4.19Å; F318-F379 AromaticContact CE2-CE2 3.8Å; F318-F379 HydrophobicContact CE2-CE2 3.8Å; F318-F379 HydrophobicContact CE2-CZ 4.01Å; F318-F379 AromaticContact CZ-CE2 3.96Å; F318-F379 HydrophobicContact CZ-CE2 3.96Å; F318-F379 AromaticContact CZ-CZ 3.87Å; F318-F379 HydrophobicContact CZ-CZ 3.87Å
319	A	95.3	Very high	93.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.5	-174.1	0	0	0	0	0	112.9	F148 I260 N261 K262 I263 F325 C326	F148-A319 HydrophobicContact CD2-CB 4.42Å; F148-A319 HydrophobicContact CE2-CB 4.11Å; I260-A319 PolarHBondContact O-N 3.39Å; N261-A319 CarbonylContact C-O 3.42Å; N261-A319 VanDerWaalsContact CA-O 3.31Å; N261-A319 WeakPolarHBondContact CA-O 3.32Å; N261-A319 PolarHBondContact OD1-O 3.38Å; K262-A319 PolarHBondContact N-O 3.12Å; I263-A319 PolarHBondContact N-O 2.97Å; A319-F325 WeakPolarHBondContact CA-O 3.36Å; A319-C326 HydrophobicContact CB-CB 4.22Å
320	S	94.3	Very high	93.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	97.3	161.3	148	0	0	0	0	106.5	D264 Y322 Y323 R324 F325	D264-S320 WeakPolarHBondContact OD1-CB 3.46Å; D264-S320 PolarHBondContact OD1-OG 2.88Å; S320-Y322 PolarHBondContact O-N 3.26Å; S320-Y323 CarbonylContact O-C 3.51Å; S320-Y323 PolarHBondContact O-N 2.91Å; S320-Y323 WeakPolarHBondContact OG-CB 3.33Å; S320-Y323 WeakPolarHBondContact OG-CD2 3.42Å; S320-Y323 PolarHBondContact OG-N 3.38Å; S320-R324 PolarHBondContact O-N 3.39Å; S320-F325 VanDerWaalsContact CB-CE1 3.48Å; S320-F325 VanDerWaalsContact CB-CZ 3.42Å; S320-F325 PolarHBondContact N-O 2.82Å; S320-F325 PolarHBondContact O-N 3.17Å
321	T	90.8	Very high	93	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.043	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-30.6	-179.8	50.8	0	0	0	0	112.1	F148 N261 R324	F148-T321 VanDerWaalsContact CA-CG2 3.45Å; F148-T321 HydrophobicContact CB-CG2 3.6Å; F148-T321 HydrophobicContact CD2-CG2 3.61Å; F148-T321 HydrophobicContact CG-CG2 4.08Å; N261-T321 WeakPolarHBondContact ND2-CG2 3.47Å; N261-T321 PolarHBondContact ND2-OG1 3.08Å; N261-T321 VanDerWaalsContact ND2-OG1 3.08Å; N261-T321 WeakPolarHBondContact OD1-CG2 3.2Å; N261-T321 PolarHBondContact OD1-N 2.93Å; N261-T321 PolarHBondContact OD1-OG1 3.26Å; T321-R324 WeakPolarHBondContact O-CD 3.35Å; T321-R324 PolarHBondContact O-N 2.63Å; T321-R324 PolarHBondContact O-NH1 3.49Å
322	Y	88.7	Confident	93	Very high	84 Å²	84	17.3 Å²	17.3	33%	0.329	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-46.9	178.2	-169.3	-100.5	0	0	0	111.8	S320 R324 R423	S320-Y322 PolarHBondContact O-N 3.26Å; Y322-R324 PolarHBondContact O-NH1 2.75Å; Y322-R423 HydrophobicContact CE1-CB 4.41Å; Y322-R423 HydrophobicContact CE1-CG 4.46Å; Y322-R423 VanDerWaalsContact OH-CD 3.29Å; Y322-R423 WeakPolarHBondContact OH-CD 3.28Å
323	Y	89.9	Confident	93	Very high	13 Å²	13	13.7 Å²	13.7	5%	0.051	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.6	178.2	-61.8	-73.5	0	0	0	115.2	D264 I268 S320 F391 L426	D264-Y323 HydrophobicContact CB-CD2 3.55Å; D264-Y323 HydrophobicContact CB-CE2 3.55Å; D264-Y323 WeakPolarHBondContact OD2-CE2 3.47Å; I268-Y323 HydrophobicContact CD1-CE2 3.79Å; I268-Y323 WeakPolarHBondContact CD1-OH 3.26Å; S320-Y323 CarbonylContact O-C 3.51Å; S320-Y323 PolarHBondContact O-N 2.91Å; S320-Y323 WeakPolarHBondContact OG-CB 3.33Å; S320-Y323 WeakPolarHBondContact OG-CD2 3.42Å; S320-Y323 PolarHBondContact OG-N 3.38Å; Y323-F391 AromaticContact CD2-CE1 3.85Å; Y323-F391 HydrophobicContact CD2-CE1 3.85Å; Y323-F391 AromaticContact CD2-CZ 3.97Å; Y323-F391 HydrophobicContact CD2-CZ 3.97Å; Y323-F391 AromaticContact CE2-CE1 3.82Å; Y323-F391 HydrophobicContact CE2-CE1 3.82Å; Y323-F391 HydrophobicContact CE2-CZ 4.32Å; Y323-F391 HydrophobicContact CG-CE1 4.23Å; Y323-F391 HydrophobicContact CG-CZ 4.41Å; Y323-L426 HydrophobicContact CD1-CB 3.54Å; Y323-L426 HydrophobicContact CD1-CD1 4.24Å; Y323-L426 HydrophobicContact CD1-CG 4.49Å; Y323-L426 HydrophobicContact CE1-CB 3.61Å; Y323-L426 HydrophobicContact CE1-CD1 3.59Å; Y323-L426 HydrophobicContact CE1-CG 4.25Å
324	R	90.5	Very high	92.9	Very high	14 Å²	14	12.1 Å²	12.1	5%	0.053	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	49.6	173.6	-53.5	-59.5	-168.3	-96.9	2.3	114.9	C151 E154 S320 T321 Y322 R427	C151-R324 WeakPolarHBondContact SG-CD 3.45Å; E154-R324 IonicContact OE1-CZ 3.85Å; E154-R324 IonicContact OE1-NE 2.73Å; E154-R324 PolarHBondContact OE1-NE 2.71Å; E154-R324 IonicContact OE1-NH2 2.85Å; E154-R324 PolarHBondContact OE1-NH2 3.13Å; E154-R324 WeakPolarHBondContact OE2-CD 3.41Å; E154-R324 IonicContact OE2-CZ 2.77Å; E154-R324 IonicContact OE2-NE 2.74Å; E154-R324 PolarHBondContact OE2-NE 2.81Å; E154-R324 IonicContact OE2-NH2 2.73Å; S320-R324 PolarHBondContact O-N 3.39Å; T321-R324 WeakPolarHBondContact O-CD 3.35Å; T321-R324 PolarHBondContact O-N 2.63Å; T321-R324 PolarHBondContact O-NH1 3.49Å; Y322-R324 PolarHBondContact O-NH1 2.75Å; R324-R427 HydrophobicContact CB-CG 4.13Å; R324-R427 HydrophobicContact CG-CG 3.62Å
325	F	92.4	Very high	92.9	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	167.2	68	-96.4	0	0	0	112.9	A319 S320 F327 F391 F430 F434	A319-F325 WeakPolarHBondContact CA-O 3.36Å; S320-F325 VanDerWaalsContact CB-CE1 3.48Å; S320-F325 VanDerWaalsContact CB-CZ 3.42Å; S320-F325 PolarHBondContact N-O 2.82Å; S320-F325 PolarHBondContact O-N 3.17Å; F325-F327 AromaticContact CD2-CD1 3.95Å; F325-F327 HydrophobicContact CD2-CD1 3.95Å; F325-F327 HydrophobicContact CD2-CE1 4.13Å; F325-F327 HydrophobicContact CE2-CD1 4.13Å; F325-F327 AromaticContact CE2-CE1 3.83Å; F325-F327 HydrophobicContact CE2-CE1 3.83Å; F325-F391 HydrophobicContact CE1-CE2 4.36Å; F325-F391 HydrophobicContact CE1-CZ 4.08Å; F325-F391 HydrophobicContact CZ-CE2 4.39Å; F325-F391 HydrophobicContact CZ-CZ 4.44Å; F325-F430 HydrophobicContact CB-CB 4.24Å; F325-F430 HydrophobicContact CD1-CB 3.84Å; F325-F430 AromaticContact CD1-CD1 3.78Å; F325-F430 HydrophobicContact CD1-CD1 3.78Å; F325-F430 AromaticContact CD1-CD2 3.82Å; F325-F430 HydrophobicContact CD1-CD2 3.82Å; F325-F430 HydrophobicContact CD1-CE1 4.26Å; F325-F430 HydrophobicContact CD1-CE2 4.28Å; F325-F430 AromaticContact CD1-CG 3.54Å; F325-F430 HydrophobicContact CD1-CG 3.54Å; F325-F430 HydrophobicContact CD1-CZ 4.49Å; F325-F430 HydrophobicContact CE1-CD1 4.12Å; F325-F430 AromaticContact CE1-CD2 3.9Å; F325-F430 HydrophobicContact CE1-CD2 3.9Å; F325-F430 HydrophobicContact CE1-CE1 4.14Å; F325-F430 AromaticContact CE1-CE2 3.9Å; F325-F430 HydrophobicContact CE1-CE2 3.9Å; F325-F430 HydrophobicContact CE1-CG 4Å; F325-F430 HydrophobicContact CE1-CZ 4.03Å; F325-F430 HydrophobicContact CG-CB 4.45Å; F325-F430 HydrophobicContact CG-CD1 4.32Å; F325-F430 HydrophobicContact CG-CG 4.36Å; F325-F434 HydrophobicContact CB-CB 4.31Å; F325-F434 HydrophobicContact CB-CD2 3.28Å; F325-F434 HydrophobicContact CB-CE2 3.68Å; F325-F434 HydrophobicContact CB-CG 3.91Å; F325-F434 HydrophobicContact CD1-CE2 4.35Å; F325-F434 HydrophobicContact CD2-CD2 4.26Å; F325-F434 AromaticContact CD2-CE2 3.76Å; F325-F434 HydrophobicContact CD2-CE2 3.76Å; F325-F434 HydrophobicContact CD2-CZ 4.16Å; F325-F434 HydrophobicContact CE2-CE2 4.47Å; F325-F434 AromaticContact CG-CD2 3.85Å; F325-F434 HydrophobicContact CG-CD2 3.85Å; F325-F434 AromaticContact CG-CE2 3.68Å; F325-F434 HydrophobicContact CG-CE2 3.68Å
326	C	94.4	Very high	92.7	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	133.3	175.5	-179.7	0	0	0	0	108.5	F148 F318 A319 F437	F148-C326 HydrophobicContact CE2-CB 4.41Å; F318-C326 CarbonylContact O-C 3.24Å; F318-C326 WeakPolarHBondContact O-CA 3.34Å; A319-C326 HydrophobicContact CB-CB 4.22Å; C326-F437 HydrophobicContact CB-CB 4.49Å; C326-F437 HydrophobicContact CB-CD1 4Å; C326-F437 HydrophobicContact CB-CD2 3.73Å; C326-F437 HydrophobicContact CB-CE1 4.13Å; C326-F437 HydrophobicContact CB-CE2 3.83Å; C326-F437 HydrophobicContact CB-CG 3.81Å; C326-F437 HydrophobicContact CB-CZ 4.04Å
327	F	94.5	Very high	92.3	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.1	177.3	65.9	-94.3	0	0	0	112.2	F318 F325 S331 F332 I383 L387 F434	F318-F327 HydrophobicContact CB-CD1 4.22Å; F318-F327 HydrophobicContact CB-CD2 3.91Å; F318-F327 HydrophobicContact CB-CE1 3.83Å; F318-F327 HydrophobicContact CB-CE2 3.48Å; F318-F327 VanDerWaalsContact CB-CE2 3.48Å; F318-F327 HydrophobicContact CB-CG 4.25Å; F318-F327 HydrophobicContact CB-CZ 3.43Å; F318-F327 VanDerWaalsContact CB-CZ 3.43Å; F318-F327 AromaticContact CD2-CD2 3.97Å; F318-F327 HydrophobicContact CD2-CD2 3.97Å; F318-F327 AromaticContact CD2-CE2 3.51Å; F318-F327 HydrophobicContact CD2-CE2 3.51Å; F318-F327 HydrophobicContact CD2-CZ 4.24Å; F318-F327 HydrophobicContact CG-CD2 4.39Å; F318-F327 AromaticContact CG-CE2 3.77Å; F318-F327 HydrophobicContact CG-CE2 3.77Å; F318-F327 HydrophobicContact CG-CZ 4.03Å; F318-F327 PolarHBondContact N-O 3.07Å; F318-F327 PolarHBondContact O-N 3.05Å; F325-F327 AromaticContact CD2-CD1 3.95Å; F325-F327 HydrophobicContact CD2-CD1 3.95Å; F325-F327 HydrophobicContact CD2-CE1 4.13Å; F325-F327 HydrophobicContact CE2-CD1 4.13Å; F325-F327 AromaticContact CE2-CE1 3.83Å; F325-F327 HydrophobicContact CE2-CE1 3.83Å; F327-S331 WeakPolarHBondContact CA-OG 3.45Å; F327-S331 VanDerWaalsContact CB-OG 3.24Å; F327-S331 WeakPolarHBondContact CB-OG 3.41Å; F327-F332 HydrophobicContact CB-CD2 4.32Å; F327-F332 HydrophobicContact CD1-CD2 4.33Å; F327-F332 HydrophobicContact CD2-CB 4.24Å; F327-F332 AromaticContact CD2-CD2 3.8Å; F327-F332 HydrophobicContact CD2-CD2 3.8Å; F327-F332 HydrophobicContact CD2-CG 4.45Å; F327-F332 HydrophobicContact CE2-CD2 4.15Å; F327-F332 AromaticContact CG-CD2 3.9Å; F327-F332 HydrophobicContact CG-CD2 3.9Å; F327-I383 HydrophobicContact CE2-CG2 3.54Å; F327-I383 HydrophobicContact CZ-CG2 3.62Å; F327-L387 HydrophobicContact CE1-CD1 3.75Å; F327-L387 HydrophobicContact CZ-CD1 3.79Å; F327-F434 HydrophobicContact CB-CD1 4.18Å; F327-F434 HydrophobicContact CB-CE1 3.78Å; F327-F434 AromaticContact CD1-CE1 3.76Å; F327-F434 HydrophobicContact CD1-CE1 3.76Å; F327-F434 AromaticContact CD1-CZ 3.75Å; F327-F434 HydrophobicContact CD1-CZ 3.75Å; F327-F434 HydrophobicContact CE1-CZ 4.32Å; F327-F434 HydrophobicContact CG-CE1 4.01Å; F327-F434 HydrophobicContact CG-CZ 4.44Å
328	T	94.9	Very high	91.8	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.025	9%	0.092	C	C	.	.			trans	-105.2	171.3	161.6	58.8	0	0	0	0	108.4	C317 E330 S331 F332 G439 M443	C317-T328 HydrophobicContact CB-CG2 3.81Å; T328-E330 PolarHBondContact O-N 2.76Å; T328-S331 PolarHBondContact N-OG 3.34Å; T328-S331 PolarHBondContact O-N 2.9Å; T328-S331 PolarHBondContact O-OG 3.41Å; T328-S331 PolarHBondContact OG1-N 3Å; T328-S331 VanDerWaalsContact OG1-N 3.16Å; T328-F332 WeakPolarHBondContact O-CB 3.21Å; T328-F332 PolarHBondContact O-N 3.07Å; T328-G439 WeakPolarHBondContact CG2-O 3.42Å; T328-M443 HydrophobicContact CG2-CB 4.34Å
329	L	94.5	Very high	91.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-58.6	-37.7	173.8	-60.6	-176.3	0	0	0	111.6	P311 L312 F318 A333 A350 L353 W354 F379 I383	P311-L329 HydrophobicContact CB-CD1 3.79Å; P311-L329 HydrophobicContact CB-CG 4.04Å; P311-L329 VanDerWaalsContact O-CD1 3.3Å; P311-L329 WeakPolarHBondContact O-CD1 3.25Å; L312-L329 HydrophobicContact CD2-CD1 4.26Å; F318-L329 HydrophobicContact CE2-CD2 4.17Å; L329-A333 WeakPolarHBondContact O-CB 3.45Å; L329-A333 PolarHBondContact O-N 2.84Å; L329-A350 HydrophobicContact CB-CB 4.02Å; L329-L353 HydrophobicContact CD1-CB 4.37Å; L329-L353 HydrophobicContact CD2-CB 4.13Å; L329-W354 HydrophobicContact CD1-CB 3.53Å; L329-W354 HydrophobicContact CD1-CG 4.49Å; L329-F379 HydrophobicContact CD2-CD2 3.89Å; L329-F379 HydrophobicContact CD2-CE2 3.75Å; L329-I383 HydrophobicContact CD2-CD1 3.65Å
330	E	92.7	Very high	90.8	Very high	24 Å²	24	30.8 Å²	30.8	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-43.5	177.5	-166.9	-177.4	-169.2	0	0	112	M196 T328 F332 A333 R334 H346 K347 A350 N442	M196-E330 HydrophobicContact CE-CB 4.21Å; M196-E330 HydrophobicContact CE-CG 4.35Å; M196-E330 HydrophobicContact SD-CG 4.11Å; T328-E330 PolarHBondContact O-N 2.76Å; E330-F332 VanDerWaalsContact C-N 3.34Å; E330-F332 PolarHBondContact O-N 2.88Å; E330-A333 PolarHBondContact O-N 2.9Å; E330-R334 PolarHBondContact O-N 3.5Å; E330-H346 IonicContact OE1-CD2 2.99Å; E330-H346 IonicContact OE1-NE2 2.86Å; E330-K347 WeakPolarHBondContact OE1-CE 3.43Å; E330-A350 HydrophobicContact CB-CB 4.27Å; E330-N442 PolarHBondContact OE2-ND2 2.94Å
331	S	91.7	Very high	89.7	Confident	8 Å²	8	33.4 Å²	33.4	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-39.3	179.5	82.1	0	0	0	0	111.2	M196 F327 T328 R334 I335	M196-S331 VanDerWaalsContact CE-CA 3.49Å; F327-S331 WeakPolarHBondContact CA-OG 3.45Å; F327-S331 VanDerWaalsContact CB-OG 3.24Å; F327-S331 WeakPolarHBondContact CB-OG 3.41Å; T328-S331 PolarHBondContact N-OG 3.34Å; T328-S331 PolarHBondContact O-N 2.9Å; T328-S331 PolarHBondContact O-OG 3.41Å; T328-S331 PolarHBondContact OG1-N 3Å; T328-S331 VanDerWaalsContact OG1-N 3.16Å; S331-R334 WeakPolarHBondContact O-CB 3.41Å; S331-R334 PolarHBondContact O-N 2.94Å; S331-I335 WeakPolarHBondContact O-CG1 3.44Å; S331-I335 PolarHBondContact O-N 3.19Å
332	F	92.9	Very high	88.6	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-69.2	-40.6	176.7	-152.6	-73	0	0	0	111.3	F327 T328 E330 R334 I335 Y336 F382 I383 L387 F434	F327-F332 HydrophobicContact CB-CD2 4.32Å; F327-F332 HydrophobicContact CD1-CD2 4.33Å; F327-F332 HydrophobicContact CD2-CB 4.24Å; F327-F332 AromaticContact CD2-CD2 3.8Å; F327-F332 HydrophobicContact CD2-CD2 3.8Å; F327-F332 HydrophobicContact CD2-CG 4.45Å; F327-F332 HydrophobicContact CE2-CD2 4.15Å; F327-F332 AromaticContact CG-CD2 3.9Å; F327-F332 HydrophobicContact CG-CD2 3.9Å; T328-F332 WeakPolarHBondContact O-CB 3.21Å; T328-F332 PolarHBondContact O-N 3.07Å; E330-F332 VanDerWaalsContact C-N 3.34Å; E330-F332 PolarHBondContact O-N 2.88Å; F332-R334 PolarHBondContact O-N 3.49Å; F332-I335 PolarHBondContact O-N 3.18Å; F332-Y336 AromaticContact CD1-CD2 3.74Å; F332-Y336 HydrophobicContact CD1-CD2 3.74Å; F332-Y336 AromaticContact CD1-CE2 3.46Å; F332-Y336 HydrophobicContact CD1-CE2 3.46Å; F332-Y336 VanDerWaalsContact CD1-CE2 3.46Å; F332-Y336 AromaticContact CE1-CD2 3.96Å; F332-Y336 HydrophobicContact CE1-CD2 3.96Å; F332-Y336 AromaticContact CE1-CE2 3.28Å; F332-Y336 HydrophobicContact CE1-CE2 3.28Å; F332-Y336 AromaticContact CE1-CZ 3.95Å; F332-Y336 WeakPolarHBondContact O-CD2 3.49Å; F332-Y336 PolarHBondContact O-N 3.09Å; F332-F382 WeakPolarHBondContact CE1-O 3.39Å; F332-I383 HydrophobicContact CB-CD1 4.43Å; F332-I383 HydrophobicContact CD1-CG1 3.91Å; F332-I383 HydrophobicContact CD2-CG1 4.43Å; F332-I383 HydrophobicContact CD2-CG2 4.15Å; F332-I383 HydrophobicContact CE1-CG1 4.14Å; F332-I383 HydrophobicContact CE2-CG2 4.03Å; F332-I383 HydrophobicContact CG-CD1 4.35Å; F332-I383 HydrophobicContact CG-CG1 4.08Å; F332-I383 HydrophobicContact CZ-CG1 4.49Å; F332-I383 HydrophobicContact CZ-CG2 4.4Å; F332-L387 HydrophobicContact CE2-CG 4.48Å; F332-F434 AromaticContact CD2-CE1 3.81Å; F332-F434 HydrophobicContact CD2-CE1 3.81Å; F332-F434 HydrophobicContact CD2-CZ 4.23Å; F332-F434 AromaticContact CE2-CE1 3.89Å; F332-F434 HydrophobicContact CE2-CE1 3.89Å; F332-F434 AromaticContact CE2-CZ 3.88Å; F332-F434 HydrophobicContact CE2-CZ 3.88Å
333	A	92.1	Very high	87.9	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-60.3	-35.5	173.6	0	0	0	0	0	112.2	L329 E330 Y336 M337 H346 F349 A350 L353	L329-A333 WeakPolarHBondContact O-CB 3.45Å; L329-A333 PolarHBondContact O-N 2.84Å; E330-A333 PolarHBondContact O-N 2.9Å; A333-Y336 WeakPolarHBondContact O-CB 3.42Å; A333-Y336 PolarHBondContact O-N 2.87Å; A333-M337 PolarHBondContact O-N 2.89Å; A333-H346 HydrophobicContact CB-CB 4.17Å; A333-H346 WeakPolarHBondContact CB-O 3.25Å; A333-F349 HydrophobicContact CB-CB 4.33Å; A333-F349 HydrophobicContact CB-CD1 3.61Å; A333-F349 HydrophobicContact CB-CE1 4.33Å; A333-F349 HydrophobicContact CB-CG 4.32Å; A333-A350 HydrophobicContact CB-CB 4.21Å; A333-L353 HydrophobicContact CB-CD1 4.14Å
334	R	89.6	Confident	87.3	Confident	64 Å²	64	42.9 Å²	42.9	24%	0.242	24%	0.237	C	C	.	.	H	α-helix	trans	-64.8	-43.2	174	-176.1	-174.6	176.7	140.8	-19.3	112.4	M196 E330 S331 F332 Y336 M337 D338	M196-R334 VanDerWaalsContact O-CZ 3.23Å; M196-R334 PolarHBondContact O-NH1 2.96Å; M196-R334 PolarHBondContact O-NH2 3.35Å; M196-R334 VanDerWaalsContact O-NH2 3.08Å; E330-R334 PolarHBondContact O-N 3.5Å; S331-R334 WeakPolarHBondContact O-CB 3.41Å; S331-R334 PolarHBondContact O-N 2.94Å; F332-R334 PolarHBondContact O-N 3.49Å; R334-Y336 PolarHBondContact O-N 2.68Å; R334-M337 HydrophobicContact CG-CE 4.08Å; R334-M337 WeakPolarHBondContact O-CA 3.27Å; R334-M337 WeakPolarHBondContact O-CB 3.29Å; R334-M337 PolarHBondContact O-N 3.46Å; R334-D338 IonicContact NE-OD2 2.97Å; R334-D338 PolarHBondContact NE-OD2 3.2Å; R334-D338 PolarHBondContact O-N 2.75Å
335	I	89.7	Confident	87.2	Confident	28 Å²	28	46 Å²	46	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-40.5	175.7	-63.9	168.3	0	0	0	110.4	S331 F332 T339 F433 F434	S331-I335 WeakPolarHBondContact O-CG1 3.44Å; S331-I335 PolarHBondContact O-N 3.19Å; F332-I335 PolarHBondContact O-N 3.18Å; I335-T339 VanDerWaalsContact O-CB 3.3Å; I335-T339 WeakPolarHBondContact O-CB 3.35Å; I335-T339 PolarHBondContact O-N 3.02Å; I335-T339 PolarHBondContact O-OG1 3.29Å; I335-F433 HydrophobicContact CD1-CE1 4.49Å; I335-F433 HydrophobicContact CG2-CE2 4.04Å; I335-F433 HydrophobicContact CG2-CZ 3.9Å; I335-F434 HydrophobicContact CD1-CD1 3.52Å; I335-F434 HydrophobicContact CD1-CE1 3.86Å; I335-F434 HydrophobicContact CD1-CG 4.43Å
336	Y	89.9	Confident	86.9	Confident	39 Å²	39	47.9 Å²	47.9	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-42.2	173.4	-84.8	-68.7	0	0	0	113.4	F332 A333 R334 T339 F340 F349 F382	F332-Y336 AromaticContact CD1-CD2 3.74Å; F332-Y336 HydrophobicContact CD1-CD2 3.74Å; F332-Y336 AromaticContact CD1-CE2 3.46Å; F332-Y336 HydrophobicContact CD1-CE2 3.46Å; F332-Y336 VanDerWaalsContact CD1-CE2 3.46Å; F332-Y336 AromaticContact CE1-CD2 3.96Å; F332-Y336 HydrophobicContact CE1-CD2 3.96Å; F332-Y336 AromaticContact CE1-CE2 3.28Å; F332-Y336 HydrophobicContact CE1-CE2 3.28Å; F332-Y336 AromaticContact CE1-CZ 3.95Å; F332-Y336 WeakPolarHBondContact O-CD2 3.49Å; F332-Y336 PolarHBondContact O-N 3.09Å; A333-Y336 WeakPolarHBondContact O-CB 3.42Å; A333-Y336 PolarHBondContact O-N 2.87Å; R334-Y336 PolarHBondContact O-N 2.68Å; Y336-T339 PolarHBondContact O-N 3.43Å; Y336-F340 AromaticContact CD1-CD2 3.71Å; Y336-F340 HydrophobicContact CD1-CD2 3.71Å; Y336-F340 AromaticContact CD1-CE2 3.51Å; Y336-F340 HydrophobicContact CD1-CE2 3.51Å; Y336-F340 HydrophobicContact CE1-CD2 4.46Å; Y336-F340 AromaticContact CE1-CE2 3.84Å; Y336-F340 HydrophobicContact CE1-CE2 3.84Å; Y336-F340 WeakPolarHBondContact O-CD2 3.39Å; Y336-F340 PolarHBondContact O-N 3.01Å; Y336-F349 AromaticContact CD2-CE1 3.77Å; Y336-F349 HydrophobicContact CD2-CE1 3.77Å; Y336-F349 HydrophobicContact CD2-CZ 4.39Å; Y336-F349 HydrophobicContact CE2-CE1 4.48Å; Y336-F349 HydrophobicContact CG-CE1 4.03Å; Y336-F382 HydrophobicContact CE1-CD1 4.38Å; Y336-F382 HydrophobicContact CE2-CB 4.16Å; Y336-F382 HydrophobicContact CE2-CD1 4.26Å; Y336-F382 VanDerWaalsContact CE2-O 3.32Å; Y336-F382 WeakPolarHBondContact CE2-O 3.32Å; Y336-F382 AromaticContact CZ-CD1 3.97Å; Y336-F382 PolarHBondContact OH-O 3.48Å
337	M	86.8	Confident	86.6	Confident	33 Å²	33	52.7 Å²	52.7	16%	0.163	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-49.5	177.2	-177.9	-168.5	74.5	0	0	111.1	A333 R334 T339 S341 M344 H346	A333-M337 PolarHBondContact O-N 2.89Å; R334-M337 HydrophobicContact CG-CE 4.08Å; R334-M337 WeakPolarHBondContact O-CA 3.27Å; R334-M337 WeakPolarHBondContact O-CB 3.29Å; R334-M337 PolarHBondContact O-N 3.46Å; M337-T339 VanDerWaalsContact C-N 3.27Å; M337-T339 PolarHBondContact O-N 3.08Å; M337-S341 CarbonylContact O-C 3.54Å; M337-S341 VanDerWaalsContact O-C 3.24Å; M337-S341 PolarHBondContact O-N 3.45Å; M337-S341 VanDerWaalsContact O-N 3.09Å; M337-M344 VanDerWaalsContact SD-O 3.42Å; M337-H346 HydrophobicContact SD-CB 4.36Å
338	D	86.3	Confident	86.3	Confident	94 Å²	94	57.8 Å²	57.8	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-32.2	-178.4	-66.7	-15.2	0	0	0	111.6	R334	R334-D338 IonicContact NE-OD2 2.97Å; R334-D338 PolarHBondContact NE-OD2 3.2Å; R334-D338 PolarHBondContact O-N 2.75Å
339	T	86.1	Confident	86.2	Confident	79 Å²	79	58.4 Å²	58.4	49%	0.485	31%	0.311	S	S	.	.	H	α-helix	trans	-81.9	-43.3	-179.6	-52.9	0	0	0	0	113.3	I335 Y336 M337	I335-T339 VanDerWaalsContact O-CB 3.3Å; I335-T339 WeakPolarHBondContact O-CB 3.35Å; I335-T339 PolarHBondContact O-N 3.02Å; I335-T339 PolarHBondContact O-OG1 3.29Å; Y336-T339 PolarHBondContact O-N 3.43Å; M337-T339 VanDerWaalsContact C-N 3.27Å; M337-T339 PolarHBondContact O-N 3.08Å
340	F	84.4	Confident	86	Confident	144 Å²	144	58.7 Å²	58.7	63%	0.632	31%	0.314	S	S	*	.	H	α-helix	trans	-106.6	-39	-167	-65.7	-75	0	0	0	114.8	Y336	Y336-F340 AromaticContact CD1-CD2 3.71Å; Y336-F340 HydrophobicContact CD1-CD2 3.71Å; Y336-F340 AromaticContact CD1-CE2 3.51Å; Y336-F340 HydrophobicContact CD1-CE2 3.51Å; Y336-F340 HydrophobicContact CE1-CD2 4.46Å; Y336-F340 AromaticContact CE1-CE2 3.84Å; Y336-F340 HydrophobicContact CE1-CE2 3.84Å; Y336-F340 WeakPolarHBondContact O-CD2 3.39Å; Y336-F340 PolarHBondContact O-N 3.01Å
341	S	70.4	Confident	85.9	Confident	56 Å²	56	59.5 Å²	59.5	39%	0.392	33%	0.328	S	S	.	.			trans	-177	134.1	177.5	57.8	0	0	0	0	113.4	M337 G343	M337-S341 CarbonylContact O-C 3.54Å; M337-S341 VanDerWaalsContact O-C 3.24Å; M337-S341 PolarHBondContact O-N 3.45Å; M337-S341 VanDerWaalsContact O-N 3.09Å; S341-G343 PolarHBondContact O-N 3.02Å
342	N	69	Low	86	Confident	148 Å²	148	63.6 Å²	63.6	79%	0.791	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-2.5	174.3	-64	-1	0	0	0	115.3
343	G	72.5	Confident	85.9	Confident	77 Å²	77	63.5 Å²	63.5	79%	0.794	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.5	-176.3	0	0	0	0	0	115.4	S341	S341-G343 PolarHBondContact O-N 3.02Å
344	M	78.7	Confident	86	Confident	77 Å²	77	64.3 Å²	64.3	38%	0.379	35%	0.345	S	S	.	.	S	Bend	trans	-90	129.9	176.6	-76.3	-164.1	-69.4	0	0	110.7	M337 H346	M337-M344 VanDerWaalsContact SD-O 3.42Å; M344-H346 PolarHBondContact O-N 2.87Å
345	D	87.2	Confident	85.9	Confident	80 Å²	80	62 Å²	62	43%	0.428	34%	0.34	S	S	.	.			trans	-75.2	115.2	167.5	179.2	20.5	0	0	0	109.9	K347 E348 F349	D345-K347 VanDerWaalsContact C-N 3.26Å; D345-K347 PolarHBondContact O-N 3.43Å; D345-K347 PolarHBondContact OD1-N 3.39Å; D345-K347 VanDerWaalsContact OD1-N 3.13Å; D345-E348 HydrophobicContact CB-CB 4.17Å; D345-E348 PolarHBondContact OD2-N 2.88Å; D345-F349 PolarHBondContact O-N 3.11Å; D345-F349 VanDerWaalsContact O-N 3.08Å
346	H	86.9	Confident	85.9	Confident	41 Å²	41	64.1 Å²	64.1	19%	0.19	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-30.4	-179.2	58.9	-84.6	0	0	0	112.1	E330 A333 M337 M344 F349 A350	E330-H346 IonicContact OE1-CD2 2.99Å; E330-H346 IonicContact OE1-NE2 2.86Å; A333-H346 HydrophobicContact CB-CB 4.17Å; A333-H346 WeakPolarHBondContact CB-O 3.25Å; M337-H346 HydrophobicContact SD-CB 4.36Å; M344-H346 PolarHBondContact O-N 2.87Å; H346-F349 PolarHBondContact O-N 2.94Å; H346-A350 VanDerWaalsContact O-CB 3.26Å; H346-A350 WeakPolarHBondContact O-CB 3.47Å; H346-A350 PolarHBondContact O-N 3.41Å
347	K	87.5	Confident	86	Confident	102 Å²	102	63.7 Å²	63.7	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-70	-48.7	179.1	-67.5	-168	171.2	-161.3	0	111.6	E330 D345 F349 A350 G351	E330-K347 WeakPolarHBondContact OE1-CE 3.43Å; D345-K347 VanDerWaalsContact C-N 3.26Å; D345-K347 PolarHBondContact O-N 3.43Å; D345-K347 PolarHBondContact OD1-N 3.39Å; D345-K347 VanDerWaalsContact OD1-N 3.13Å; K347-F349 VanDerWaalsContact C-N 3.26Å; K347-F349 PolarHBondContact O-N 2.81Å; K347-A350 PolarHBondContact O-N 3.41Å; K347-G351 PolarHBondContact O-N 3.18Å
348	E	89.6	Confident	86.3	Confident	109 Å²	109	63.2 Å²	63.2	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-34.8	174	-91.6	-153.5	-153.4	0	0	113.3	D345 R352	D345-E348 HydrophobicContact CB-CB 4.17Å; D345-E348 PolarHBondContact OD2-N 2.88Å; E348-R352 PolarHBondContact O-NH1 2.82Å; E348-R352 IonicContact OE2-CZ 2.98Å; E348-R352 IonicContact OE2-NH1 2.94Å; E348-R352 PolarHBondContact OE2-NH1 2.98Å; E348-R352 IonicContact OE2-NH2 3.72Å; E348-R352 PolarHBondContact OE2-NH2 2.82Å
349	F	91	Very high	86.5	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.075	33%	0.333	C	S	.	.	H	α-helix	trans	-70.2	-46.8	175.8	-176.1	-142.6	0	0	0	111	A333 Y336 D345 H346 K347 G351 R352 L353 F366 F382	A333-F349 HydrophobicContact CB-CB 4.33Å; A333-F349 HydrophobicContact CB-CD1 3.61Å; A333-F349 HydrophobicContact CB-CE1 4.33Å; A333-F349 HydrophobicContact CB-CG 4.32Å; Y336-F349 AromaticContact CD2-CE1 3.77Å; Y336-F349 HydrophobicContact CD2-CE1 3.77Å; Y336-F349 HydrophobicContact CD2-CZ 4.39Å; Y336-F349 HydrophobicContact CE2-CE1 4.48Å; Y336-F349 HydrophobicContact CG-CE1 4.03Å; D345-F349 PolarHBondContact O-N 3.11Å; D345-F349 VanDerWaalsContact O-N 3.08Å; H346-F349 PolarHBondContact O-N 2.94Å; K347-F349 VanDerWaalsContact C-N 3.26Å; K347-F349 PolarHBondContact O-N 2.81Å; F349-G351 VanDerWaalsContact C-N 3.29Å; F349-G351 PolarHBondContact O-N 3.08Å; F349-R352 PolarHBondContact O-N 3.32Å; F349-L353 HydrophobicContact CD1-CD1 4.38Å; F349-L353 HydrophobicContact CD2-CD2 4.3Å; F349-L353 HydrophobicContact CD2-CG 4.32Å; F349-L353 HydrophobicContact CE1-CD1 4.24Å; F349-L353 HydrophobicContact CE1-CD2 4.31Å; F349-L353 HydrophobicContact CE2-CD2 3.6Å; F349-L353 HydrophobicContact CE2-CG 4.1Å; F349-L353 HydrophobicContact CZ-CD1 4.36Å; F349-L353 HydrophobicContact CZ-CD2 3.63Å; F349-L353 HydrophobicContact CZ-CG 4.27Å; F349-L353 WeakPolarHBondContact O-CG 3.19Å; F349-L353 PolarHBondContact O-N 2.97Å; F349-F366 HydrophobicContact CD2-CE2 4.2Å; F349-F366 AromaticContact CD2-CZ 3.81Å; F349-F366 HydrophobicContact CD2-CZ 3.81Å; F349-F366 HydrophobicContact CE2-CE1 4.2Å; F349-F366 HydrophobicContact CE2-CE2 4.35Å; F349-F366 AromaticContact CE2-CZ 3.53Å; F349-F366 HydrophobicContact CE2-CZ 3.53Å; F349-F382 AromaticContact CZ-CD1 3.94Å; F349-F382 HydrophobicContact CZ-CD1 3.94Å; F349-F382 HydrophobicContact CZ-CE1 4.26Å; F349-F382 HydrophobicContact CZ-CG 4.28Å
350	A	91.5	Very high	86.7	Confident	10 Å²	10	57.9 Å²	57.9	8%	0.083	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-41.5	176.4	0	0	0	0	0	112.7	L329 E330 A333 H346 K347 R352 L353	L329-A350 HydrophobicContact CB-CB 4.02Å; E330-A350 HydrophobicContact CB-CB 4.27Å; A333-A350 HydrophobicContact CB-CB 4.21Å; H346-A350 VanDerWaalsContact O-CB 3.26Å; H346-A350 WeakPolarHBondContact O-CB 3.47Å; H346-A350 PolarHBondContact O-N 3.41Å; K347-A350 PolarHBondContact O-N 3.41Å; A350-R352 PolarHBondContact O-N 3.12Å; A350-L353 PolarHBondContact O-N 2.89Å; A350-L353 VanDerWaalsContact O-N 3.1Å
351	G	91.2	Very high	86.8	Confident	40 Å²	40	55.1 Å²	55.1	41%	0.412	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.2	175.8	0	0	0	0	0	115.1	L312 K347 F349	L312-G351 WeakPolarHBondContact CD2-O 3.4Å; K347-G351 PolarHBondContact O-N 3.18Å; F349-G351 VanDerWaalsContact C-N 3.29Å; F349-G351 PolarHBondContact O-N 3.08Å
352	R	92	Very high	87.7	Confident	95 Å²	95	61.7 Å²	61.7	36%	0.358	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-1.7	178	-59.9	177.3	-175.1	116.3	-2	113.3	E348 F349 A350 I357 F366 T378	E348-R352 PolarHBondContact O-NH1 2.82Å; E348-R352 IonicContact OE2-CZ 2.98Å; E348-R352 IonicContact OE2-NH1 2.94Å; E348-R352 PolarHBondContact OE2-NH1 2.98Å; E348-R352 IonicContact OE2-NH2 3.72Å; E348-R352 PolarHBondContact OE2-NH2 2.82Å; F349-R352 PolarHBondContact O-N 3.32Å; A350-R352 PolarHBondContact O-N 3.12Å; R352-I357 HydrophobicContact CB-CD1 4.44Å; R352-F366 HydrophobicContact CB-CD1 4.43Å; R352-F366 HydrophobicContact CB-CD2 4.21Å; R352-F366 HydrophobicContact CB-CG 4.13Å; R352-F366 VanDerWaalsContact CD-CD2 3.41Å; R352-F366 HydrophobicContact CG-CD2 4.43Å; R352-T378 PolarHBondContact O-OG1 2.66Å; R352-T378 VanDerWaalsContact O-OG1 3.06Å
353	L	92.7	Very high	88.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.3	-175.7	-77.4	175.4	0	0	0	113.4	L329 A333 F349 A350 T378 F379 F382 I383	L329-L353 HydrophobicContact CD1-CB 4.37Å; L329-L353 HydrophobicContact CD2-CB 4.13Å; A333-L353 HydrophobicContact CB-CD1 4.14Å; F349-L353 HydrophobicContact CD1-CD1 4.38Å; F349-L353 HydrophobicContact CD2-CD2 4.3Å; F349-L353 HydrophobicContact CD2-CG 4.32Å; F349-L353 HydrophobicContact CE1-CD1 4.24Å; F349-L353 HydrophobicContact CE1-CD2 4.31Å; F349-L353 HydrophobicContact CE2-CD2 3.6Å; F349-L353 HydrophobicContact CE2-CG 4.1Å; F349-L353 HydrophobicContact CZ-CD1 4.36Å; F349-L353 HydrophobicContact CZ-CD2 3.63Å; F349-L353 HydrophobicContact CZ-CG 4.27Å; F349-L353 WeakPolarHBondContact O-CG 3.19Å; F349-L353 PolarHBondContact O-N 2.97Å; A350-L353 PolarHBondContact O-N 2.89Å; A350-L353 VanDerWaalsContact O-N 3.1Å; L353-T378 PolarHBondContact O-OG1 2.76Å; L353-F379 VanDerWaalsContact O-CA 3.27Å; L353-F379 WeakPolarHBondContact O-CA 3.23Å; L353-F379 VanDerWaalsContact O-CB 3.27Å; L353-F379 WeakPolarHBondContact O-CB 3.39Å; L353-F379 PolarHBondContact O-N 3.16Å; L353-F382 HydrophobicContact CD2-CB 3.87Å; L353-F382 HydrophobicContact CD2-CG 4.28Å; L353-I383 HydrophobicContact CD1-CD1 4.27Å
354	W	92.8	Very high	89.4	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.068	31%	0.314	C	S	.	.	S	Bend	trans	-114.8	150.5	-176	-179.6	-92.6	0	0	0	113.9	Y278 I281 K282 I285 P311 L312 F318 L329 F379	Y278-W354 HydrophobicContact CD2-CH2 4.12Å; Y278-W354 AromaticContact CD2-CZ3 3.92Å; Y278-W354 HydrophobicContact CD2-CZ3 3.92Å; Y278-W354 HydrophobicContact CE2-CD2 4.34Å; Y278-W354 AromaticContact CE2-CE3 3.94Å; Y278-W354 HydrophobicContact CE2-CE3 3.94Å; Y278-W354 AromaticContact CE2-CH2 3.71Å; Y278-W354 HydrophobicContact CE2-CH2 3.71Å; Y278-W354 HydrophobicContact CE2-CZ2 4.15Å; Y278-W354 AromaticContact CE2-CZ3 3.61Å; Y278-W354 HydrophobicContact CE2-CZ3 3.61Å; I281-W354 HydrophobicContact CB-CH2 4.44Å; I281-W354 HydrophobicContact CG2-CH2 3.69Å; I281-W354 HydrophobicContact CG2-CZ3 4.12Å; K282-W354 HydrophobicContact CB-CH2 4.41Å; K282-W354 HydrophobicContact CB-CZ2 4.24Å; K282-W354 HydrophobicContact CG-CZ2 4.49Å; I285-W354 HydrophobicContact CD1-CH2 3.66Å; I285-W354 HydrophobicContact CD1-CZ2 3.47Å; I285-W354 VanDerWaalsContact CD1-CZ2 3.47Å; P311-W354 HydrophobicContact CB-CB 4.39Å; P311-W354 HydrophobicContact CB-CD2 3.94Å; P311-W354 HydrophobicContact CB-CE3 4.22Å; P311-W354 HydrophobicContact CB-CG 4Å; P311-W354 HydrophobicContact CG-CD2 3.72Å; P311-W354 HydrophobicContact CG-CE3 4.02Å; P311-W354 HydrophobicContact CG-CG 4.17Å; P311-W354 HydrophobicContact CG-CH2 4.39Å; P311-W354 HydrophobicContact CG-CZ2 4.08Å; P311-W354 HydrophobicContact CG-CZ3 4.34Å; L312-W354 HydrophobicContact CD2-CB 3.71Å; L312-W354 HydrophobicContact CG-CB 3.88Å; L312-W354 HydrophobicContact CG-CG 4.22Å; F318-W354 HydrophobicContact CZ-CE3 4.29Å; F318-W354 AromaticContact CZ-CZ3 3.94Å; F318-W354 HydrophobicContact CZ-CZ3 3.94Å; L329-W354 HydrophobicContact CD1-CB 3.53Å; L329-W354 HydrophobicContact CD1-CG 4.49Å; W354-F379 HydrophobicContact CE3-CB 4.4Å; W354-F379 HydrophobicContact CE3-CD1 4.34Å; W354-F379 AromaticContact CE3-CD2 3.48Å; W354-F379 HydrophobicContact CE3-CD2 3.48Å; W354-F379 VanDerWaalsContact CE3-CD2 3.48Å; W354-F379 AromaticContact CE3-CE2 3.71Å; W354-F379 HydrophobicContact CE3-CE2 3.71Å; W354-F379 AromaticContact CE3-CG 3.82Å; W354-F379 HydrophobicContact CE3-CG 3.82Å; W354-F379 HydrophobicContact CE3-CZ 4.22Å; W354-F379 HydrophobicContact CZ3-CD1 4.01Å; W354-F379 AromaticContact CZ3-CD2 3.89Å; W354-F379 HydrophobicContact CZ3-CD2 3.89Å; W354-F379 AromaticContact CZ3-CE1 3.93Å; W354-F379 HydrophobicContact CZ3-CE1 3.93Å; W354-F379 AromaticContact CZ3-CE2 3.84Å; W354-F379 HydrophobicContact CZ3-CE2 3.84Å; W354-F379 AromaticContact CZ3-CG 3.97Å; W354-F379 HydrophobicContact CZ3-CG 3.97Å; W354-F379 AromaticContact CZ3-CZ 3.85Å; W354-F379 HydrophobicContact CZ3-CZ 3.85Å
355	G	88.2	Confident	89.9	Confident	14 Å²	14	68 Å²	68	14%	0.144	33%	0.328	C	S	.	.	S	Bend	trans	95.7	-165.7	179.1	0	0	0	0	0	113.5	Y278 I357	Y278-G355 WeakPolarHBondContact OH-CA 3.47Å; G355-I357 PolarHBondContact O-N 3.25Å
356	D	88.7	Confident	90.1	Very high	74 Å²	74	67.1 Å²	67.1	40%	0.396	32%	0.32	S	S	.	.	S	Bend	trans	-79.9	56.8	178.5	-64.7	-53	0	0	0	111.2	K282 R377	K282-D356 IonicContact NZ-OD2 3.64Å; D356-R377 IonicContact OD1-NE 3.27Å; D356-R377 IonicContact OD1-NH2 2.93Å
357	I	92.2	Very high	90.3	Very high	29 Å²	29	68.4 Å²	68.4	15%	0.149	33%	0.326	C	S	.	.			trans	-110.2	138	173.8	-57.6	178.9	0	0	0	107.6	R352 G355 F366 R377 T378	R352-I357 HydrophobicContact CB-CD1 4.44Å; G355-I357 PolarHBondContact O-N 3.25Å; I357-F366 HydrophobicContact CG2-CB 3.87Å; I357-F366 HydrophobicContact CG2-CD1 4.22Å; I357-F366 HydrophobicContact CG2-CG 4.43Å; I357-R377 CarbonylContact O-C 3.56Å; I357-R377 VanDerWaalsContact O-CA 3.3Å; I357-R377 WeakPolarHBondContact O-CA 3.48Å; I357-T378 HydrophobicContact CB-CG2 4.2Å; I357-T378 HydrophobicContact CG2-CG2 3.75Å; I357-T378 PolarHBondContact O-N 3.21Å; I357-T378 PolarHBondContact O-OG1 3.15Å
358	Y	92.9	Very high	90.3	Very high	24 Å²	24	72 Å²	72	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.9	-178	-58.1	-95.1	0	0	0	109.6	F366 Q367 P370 S375 Q376 R377	Y358-F366 WeakPolarHBondContact O-CA 3.4Å; Y358-Q367 PolarHBondContact N-O 3.1Å; Y358-Q367 PolarHBondContact O-N 3.09Å; Y358-P370 HydrophobicContact CD1-CB 3.98Å; Y358-P370 HydrophobicContact CD2-CB 4.32Å; Y358-P370 HydrophobicContact CE1-CB 3.93Å; Y358-P370 HydrophobicContact CE2-CB 4.27Å; Y358-P370 HydrophobicContact CG-CB 4.19Å; Y358-S375 WeakPolarHBondContact CE1-O 3.48Å; Y358-Q376 WeakPolarHBondContact CD1-O 3.2Å; Y358-R377 HydrophobicContact CE1-CG 4.17Å
359	F	91.5	Very high	90.2	Very high	38 Å²	38	76.9 Å²	76.9	17%	0.167	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.5	174.8	-179.2	-109.9	0	0	0	110.7	S361 F366 T378 F382	F359-S361 PolarHBondContact O-N 3.28Å; F359-F366 HydrophobicContact CB-CD1 4.28Å; F359-F366 HydrophobicContact CB-CE1 4.19Å; F359-F366 AromaticContact CD2-CD1 3.92Å; F359-F366 HydrophobicContact CD2-CD1 3.92Å; F359-F366 AromaticContact CD2-CE1 3.58Å; F359-F366 HydrophobicContact CD2-CE1 3.58Å; F359-F366 AromaticContact CD2-CZ 3.95Å; F359-F366 HydrophobicContact CD2-CZ 3.95Å; F359-F366 HydrophobicContact CE2-CE1 4.4Å; F359-F366 HydrophobicContact CE2-CZ 4.33Å; F359-F366 HydrophobicContact CG-CE1 4.27Å; F359-T378 HydrophobicContact CB-CG2 4.29Å; F359-F382 HydrophobicContact CB-CE2 3.71Å; F359-F382 HydrophobicContact CB-CZ 4.38Å; F359-F382 AromaticContact CD1-CE2 3.98Å; F359-F382 HydrophobicContact CD1-CE2 3.98Å; F359-F382 AromaticContact CD1-CZ 3.86Å; F359-F382 HydrophobicContact CD1-CZ 3.86Å; F359-F382 HydrophobicContact CD2-CE2 4.21Å; F359-F382 HydrophobicContact CD2-CZ 4.14Å; F359-F382 HydrophobicContact CE1-CZ 4.09Å; F359-F382 HydrophobicContact CE2-CZ 4.36Å; F359-F382 AromaticContact CG-CE2 3.72Å; F359-F382 HydrophobicContact CG-CE2 3.72Å; F359-F382 AromaticContact CG-CZ 3.87Å; F359-F382 HydrophobicContact CG-CZ 3.87Å; F359-F382 HydrophobicContact CZ-CZ 4.33Å
360	N	90.3	Very high	90	Very high	22 Å²	22	79.5 Å²	79.5	12%	0.118	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.7	173.9	-174.6	-28.5	0	0	0	109.4	K362 T363 R364 R365 Q367 P371	N360-K362 PolarHBondContact O-N 3.17Å; N360-K362 WeakPolarHBondContact OD1-CB 3.47Å; N360-K362 PolarHBondContact OD1-N 3.42Å; N360-T363 VanDerWaalsContact CB-OG1 3.3Å; N360-T363 WeakPolarHBondContact CB-OG1 3.23Å; N360-T363 VanDerWaalsContact CG-OG1 3.27Å; N360-T363 PolarHBondContact O-N 3.31Å; N360-T363 PolarHBondContact OD1-N 3.45Å; N360-R364 WeakPolarHBondContact O-CA 3.39Å; N360-R364 PolarHBondContact O-N 3.03Å; N360-R365 PolarHBondContact N-O 3.45Å; N360-Q367 PolarHBondContact ND2-OE1 3.47Å; N360-P371 HydrophobicContact CB-CB 4.04Å; N360-P371 HydrophobicContact CB-CG 4Å; N360-P371 WeakPolarHBondContact ND2-CB 3.36Å
361	S	86.9	Confident	89.7	Confident	87 Å²	87	81.4 Å²	81.4	61%	0.608	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.9	-179.5	59.3	0	0	0	0	113.5	F359	F359-S361 PolarHBondContact O-N 3.28Å
362	K	89.2	Confident	89.4	Confident	193 Å²	193	82.6 Å²	82.6	84%	0.839	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-45	178.9	-61.5	-177.7	179.7	178.9	0	112.2	N360	N360-K362 PolarHBondContact O-N 3.17Å; N360-K362 WeakPolarHBondContact OD1-CB 3.47Å; N360-K362 PolarHBondContact OD1-N 3.42Å
363	T	89.2	Confident	88.8	Confident	67 Å²	67	83.1 Å²	83.1	41%	0.411	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.4	-178.1	64.2	0	0	0	0	113.2	N360 R365	N360-T363 VanDerWaalsContact CB-OG1 3.3Å; N360-T363 WeakPolarHBondContact CB-OG1 3.23Å; N360-T363 VanDerWaalsContact CG-OG1 3.27Å; N360-T363 PolarHBondContact O-N 3.31Å; N360-T363 PolarHBondContact OD1-N 3.45Å; T363-R365 WeakPolarHBondContact O-CG 3.31Å; T363-R365 PolarHBondContact O-N 3.14Å
364	R	87.3	Confident	88.3	Confident	191 Å²	191	90.1 Å²	90.1	72%	0.721	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.3	-172.1	-61.2	-68.3	-144.5	169	8.5	112.2	N360	N360-R364 WeakPolarHBondContact O-CA 3.39Å; N360-R364 PolarHBondContact O-N 3.03Å
365	R	89.7	Confident	88	Confident	177 Å²	177	90.4 Å²	90.4	67%	0.668	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.5	-177.9	-72	179.4	-176	-167.9	0.4	110.4	N360 T363	N360-R365 PolarHBondContact N-O 3.45Å; T363-R365 WeakPolarHBondContact O-CG 3.31Å; T363-R365 PolarHBondContact O-N 3.14Å
366	F	90.8	Very high	88	Confident	61 Å²	61	91.5 Å²	91.5	27%	0.268	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133.3	169.3	-59.5	-74.1	0	0	0	109.8	F349 R352 I357 Y358 F359 T378 F382	F349-F366 HydrophobicContact CD2-CE2 4.2Å; F349-F366 AromaticContact CD2-CZ 3.81Å; F349-F366 HydrophobicContact CD2-CZ 3.81Å; F349-F366 HydrophobicContact CE2-CE1 4.2Å; F349-F366 HydrophobicContact CE2-CE2 4.35Å; F349-F366 AromaticContact CE2-CZ 3.53Å; F349-F366 HydrophobicContact CE2-CZ 3.53Å; R352-F366 HydrophobicContact CB-CD1 4.43Å; R352-F366 HydrophobicContact CB-CD2 4.21Å; R352-F366 HydrophobicContact CB-CG 4.13Å; R352-F366 VanDerWaalsContact CD-CD2 3.41Å; R352-F366 HydrophobicContact CG-CD2 4.43Å; I357-F366 HydrophobicContact CG2-CB 3.87Å; I357-F366 HydrophobicContact CG2-CD1 4.22Å; I357-F366 HydrophobicContact CG2-CG 4.43Å; Y358-F366 WeakPolarHBondContact O-CA 3.4Å; F359-F366 HydrophobicContact CB-CD1 4.28Å; F359-F366 HydrophobicContact CB-CE1 4.19Å; F359-F366 AromaticContact CD2-CD1 3.92Å; F359-F366 HydrophobicContact CD2-CD1 3.92Å; F359-F366 AromaticContact CD2-CE1 3.58Å; F359-F366 HydrophobicContact CD2-CE1 3.58Å; F359-F366 AromaticContact CD2-CZ 3.95Å; F359-F366 HydrophobicContact CD2-CZ 3.95Å; F359-F366 HydrophobicContact CE2-CE1 4.4Å; F359-F366 HydrophobicContact CE2-CZ 4.33Å; F359-F366 HydrophobicContact CG-CE1 4.27Å; F366-T378 HydrophobicContact CD1-CG2 3.48Å; F366-T378 VanDerWaalsContact CD1-CG2 3.48Å; F366-T378 HydrophobicContact CE1-CG2 3.69Å; F366-F382 HydrophobicContact CE1-CE2 4.24Å
367	Q	90.4	Very high	88.2	Confident	68 Å²	68	89.3 Å²	89.3	32%	0.318	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.2	-178.8	-64.2	179.9	-21.7	0	0	108.7	Y358 N360 R369	Y358-Q367 PolarHBondContact N-O 3.1Å; Y358-Q367 PolarHBondContact O-N 3.09Å; N360-Q367 PolarHBondContact ND2-OE1 3.47Å; Q367-R369 VanDerWaalsContact C-N 3.3Å
368	K	88.5	Confident	88.2	Confident	178 Å²	178	88 Å²	88	77%	0.774	44%	0.435	S	S	*	.	S	Bend	trans	-74.5	-22.5	174.8	-68.1	-174.2	176.7	-174.2	0	113
369	R	87.5	Confident	88.3	Confident	212 Å²	212	86.9 Å²	86.9	80%	0.8	43%	0.431	S	S	*	.	S	Bend	trans	-93.3	137.1	175.8	-67	-174.7	-179.4	179	0.5	109.1	Q367 P371	Q367-R369 VanDerWaalsContact C-N 3.3Å; R369-P371 WeakPolarHBondContact O-CD 3.4Å
370	P	86.9	Confident	88.4	Confident	71 Å²	71	85 Å²	85	46%	0.461	42%	0.423	S	S	.	.			trans	-63.7	126.8	177.4	25.7	-33.2	0	0	0	109.9	Y358 S372	Y358-P370 HydrophobicContact CD1-CB 3.98Å; Y358-P370 HydrophobicContact CD2-CB 4.32Å; Y358-P370 HydrophobicContact CE1-CB 3.93Å; Y358-P370 HydrophobicContact CE2-CB 4.27Å; Y358-P370 HydrophobicContact CG-CB 4.19Å; P370-S372 VanDerWaalsContact C-N 3.3Å; P370-S372 PolarHBondContact O-N 3.01Å
371	P	84.1	Confident	88.5	Confident	51 Å²	51	86.2 Å²	86.2	33%	0.331	43%	0.429	S	S	.	.	S	Bend	trans	-72.1	-23.7	-179.2	23.7	-29.4	0	0	0	113.3	N360 R369 S375	N360-P371 HydrophobicContact CB-CB 4.04Å; N360-P371 HydrophobicContact CB-CG 4Å; N360-P371 WeakPolarHBondContact ND2-CB 3.36Å; R369-P371 WeakPolarHBondContact O-CD 3.4Å; P371-S375 WeakPolarHBondContact CD-OG 3.29Å; P371-S375 VanDerWaalsContact CG-OG 3.29Å; P371-S375 WeakPolarHBondContact CG-OG 3.3Å
372	S	84.9	Confident	88.8	Confident	64 Å²	64	83.9 Å²	83.9	45%	0.448	41%	0.408	S	S	.	.	S	Bend	trans	-142.3	161.3	170.7	73.1	0	0	0	0	110	P370 N374 S375	P370-S372 VanDerWaalsContact C-N 3.3Å; P370-S372 PolarHBondContact O-N 3.01Å; S372-N374 PolarHBondContact O-N 2.9Å; S372-N374 VanDerWaalsContact O-N 3.16Å; S372-S375 PolarHBondContact N-OG 3.41Å; S372-S375 WeakPolarHBondContact O-CB 3.47Å; S372-S375 PolarHBondContact O-N 3.49Å; S372-S375 PolarHBondContact O-OG 3.37Å; S372-S375 PolarHBondContact OG-N 2.83Å; S372-S375 PolarHBondContact OG-OG 2.88Å
373	A	80.9	Confident	89.1	Confident	107 Å²	107	74.7 Å²	74.7	88%	0.884	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.4	179.3	0	0	0	0	0	113.5
374	N	82.4	Confident	89.3	Confident	146 Å²	146	71.6 Å²	71.6	78%	0.781	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	11	-180	-63.8	-1.4	0	0	0	112.9	S372 Q376	S372-N374 PolarHBondContact O-N 2.9Å; S372-N374 VanDerWaalsContact O-N 3.16Å; N374-Q376 PolarHBondContact O-N 2.87Å
375	S	85	Confident	89.6	Confident	25 Å²	25	64.9 Å²	64.9	18%	0.175	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-70	127.6	177.7	-63.9	0	0	0	0	110.2	Y358 P371 S372	Y358-S375 WeakPolarHBondContact CE1-O 3.48Å; P371-S375 WeakPolarHBondContact CD-OG 3.29Å; P371-S375 VanDerWaalsContact CG-OG 3.29Å; P371-S375 WeakPolarHBondContact CG-OG 3.3Å; S372-S375 PolarHBondContact N-OG 3.41Å; S372-S375 WeakPolarHBondContact O-CB 3.47Å; S372-S375 PolarHBondContact O-N 3.49Å; S372-S375 PolarHBondContact O-OG 3.37Å; S372-S375 PolarHBondContact OG-N 2.83Å; S372-S375 PolarHBondContact OG-OG 2.88Å
376	Q	88.7	Confident	89.8	Confident	36 Å²	36	57.9 Å²	57.9	17%	0.168	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-88	165.9	176.9	-42.5	-177.4	13.7	0	0	110.4	M275 Y358 N374 V380 D381 E385	M275-Q376 HydrophobicContact CE-CG 4.07Å; M275-Q376 HydrophobicContact SD-CG 4.3Å; Y358-Q376 WeakPolarHBondContact CD1-O 3.2Å; N374-Q376 PolarHBondContact O-N 2.87Å; Q376-V380 HydrophobicContact CB-CB 4.14Å; Q376-V380 HydrophobicContact CB-CG1 4.4Å; Q376-D381 WeakPolarHBondContact CB-OD1 3.32Å; Q376-E385 VanDerWaalsContact CD-OE1 3.27Å; Q376-E385 PolarHBondContact NE2-OE1 3.24Å; Q376-E385 PolarHBondContact OE1-OE1 2.88Å; Q376-E385 VanDerWaalsContact OE1-OE1 3.1Å
377	R	92.4	Very high	89.9	Confident	29 Å²	29	55 Å²	55	11%	0.109	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-71.7	154.9	176.2	-70.1	83.7	174.2	175.8	-2.9	109.4	Y278 Y279 D356 I357 Y358 F379 V380 D381	Y278-R377 HydrophobicContact CE1-CG 4.3Å; Y279-R377 PolarHBondContact OH-NH1 2.97Å; Y279-R377 PolarHBondContact OH-NH2 3.38Å; D356-R377 IonicContact OD1-NE 3.27Å; D356-R377 IonicContact OD1-NH2 2.93Å; I357-R377 CarbonylContact O-C 3.56Å; I357-R377 VanDerWaalsContact O-CA 3.3Å; I357-R377 WeakPolarHBondContact O-CA 3.48Å; Y358-R377 HydrophobicContact CE1-CG 4.17Å; R377-F379 PolarHBondContact O-N 3.37Å; R377-V380 HydrophobicContact CB-CG2 4.23Å; R377-V380 WeakPolarHBondContact O-CA 3.31Å; R377-V380 WeakPolarHBondContact O-CB 3.46Å; R377-V380 PolarHBondContact O-N 2.82Å; R377-D381 PolarHBondContact O-N 2.81Å
378	T	93.1	Very high	90	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-52.5	-40	175.1	46.4	0	0	0	0	113.2	R352 L353 I357 F359 F366 V380 D381 F382	R352-T378 PolarHBondContact O-OG1 2.66Å; R352-T378 VanDerWaalsContact O-OG1 3.06Å; L353-T378 PolarHBondContact O-OG1 2.76Å; I357-T378 HydrophobicContact CB-CG2 4.2Å; I357-T378 HydrophobicContact CG2-CG2 3.75Å; I357-T378 PolarHBondContact O-N 3.21Å; I357-T378 PolarHBondContact O-OG1 3.15Å; F359-T378 HydrophobicContact CB-CG2 4.29Å; F366-T378 HydrophobicContact CD1-CG2 3.48Å; F366-T378 VanDerWaalsContact CD1-CG2 3.48Å; F366-T378 HydrophobicContact CE1-CG2 3.69Å; T378-V380 VanDerWaalsContact C-N 3.26Å; T378-V380 PolarHBondContact O-N 3.32Å; T378-D381 PolarHBondContact O-N 2.56Å; T378-F382 WeakPolarHBondContact O-CB 3.4Å; T378-F382 WeakPolarHBondContact O-CD2 3.29Å; T378-F382 PolarHBondContact O-N 2.66Å
379	F	94.5	Very high	90.2	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-37	177.6	-169.6	-98.7	0	0	0	111.7	Y278 I281 F318 L329 L353 W354 R377 I383 L384	Y278-F379 HydrophobicContact CD2-CB 4.03Å; Y278-F379 AromaticContact CD2-CD1 3.53Å; Y278-F379 HydrophobicContact CD2-CD1 3.53Å; Y278-F379 HydrophobicContact CD2-CE1 4.3Å; Y278-F379 HydrophobicContact CD2-CG 4.03Å; Y278-F379 HydrophobicContact CE2-CB 4.06Å; Y278-F379 HydrophobicContact CE2-CD1 4.22Å; Y278-F379 HydrophobicContact CE2-CG 4.28Å; Y278-F379 HydrophobicContact CG-CD1 4.48Å; I281-F379 HydrophobicContact CD1-CE1 4.27Å; F318-F379 HydrophobicContact CD2-CE2 4.42Å; F318-F379 HydrophobicContact CD2-CZ 4.43Å; F318-F379 HydrophobicContact CE1-CZ 4.19Å; F318-F379 AromaticContact CE2-CE2 3.8Å; F318-F379 HydrophobicContact CE2-CE2 3.8Å; F318-F379 HydrophobicContact CE2-CZ 4.01Å; F318-F379 AromaticContact CZ-CE2 3.96Å; F318-F379 HydrophobicContact CZ-CE2 3.96Å; F318-F379 AromaticContact CZ-CZ 3.87Å; F318-F379 HydrophobicContact CZ-CZ 3.87Å; L329-F379 HydrophobicContact CD2-CD2 3.89Å; L329-F379 HydrophobicContact CD2-CE2 3.75Å; L353-F379 VanDerWaalsContact O-CA 3.27Å; L353-F379 WeakPolarHBondContact O-CA 3.23Å; L353-F379 VanDerWaalsContact O-CB 3.27Å; L353-F379 WeakPolarHBondContact O-CB 3.39Å; L353-F379 PolarHBondContact O-N 3.16Å; W354-F379 HydrophobicContact CE3-CB 4.4Å; W354-F379 HydrophobicContact CE3-CD1 4.34Å; W354-F379 AromaticContact CE3-CD2 3.48Å; W354-F379 HydrophobicContact CE3-CD2 3.48Å; W354-F379 VanDerWaalsContact CE3-CD2 3.48Å; W354-F379 AromaticContact CE3-CE2 3.71Å; W354-F379 HydrophobicContact CE3-CE2 3.71Å; W354-F379 AromaticContact CE3-CG 3.82Å; W354-F379 HydrophobicContact CE3-CG 3.82Å; W354-F379 HydrophobicContact CE3-CZ 4.22Å; W354-F379 HydrophobicContact CZ3-CD1 4.01Å; W354-F379 AromaticContact CZ3-CD2 3.89Å; W354-F379 HydrophobicContact CZ3-CD2 3.89Å; W354-F379 AromaticContact CZ3-CE1 3.93Å; W354-F379 HydrophobicContact CZ3-CE1 3.93Å; W354-F379 AromaticContact CZ3-CE2 3.84Å; W354-F379 HydrophobicContact CZ3-CE2 3.84Å; W354-F379 AromaticContact CZ3-CG 3.97Å; W354-F379 HydrophobicContact CZ3-CG 3.97Å; W354-F379 AromaticContact CZ3-CZ 3.85Å; W354-F379 HydrophobicContact CZ3-CZ 3.85Å; R377-F379 PolarHBondContact O-N 3.37Å; F379-I383 HydrophobicContact CD2-CB 4.33Å; F379-I383 HydrophobicContact CD2-CD1 3.62Å; F379-I383 HydrophobicContact CD2-CG1 4.39Å; F379-I383 HydrophobicContact CE2-CB 4.28Å; F379-I383 HydrophobicContact CE2-CD1 3.6Å; F379-I383 HydrophobicContact CE2-CG1 4.49Å; F379-I383 HydrophobicContact CE2-CG2 4.16Å; F379-I383 HydrophobicContact CZ-CG2 4.15Å; F379-I383 WeakPolarHBondContact O-CA 3.31Å; F379-I383 VanDerWaalsContact O-CB 3.28Å; F379-I383 WeakPolarHBondContact O-CB 3.12Å; F379-I383 PolarHBondContact O-N 2.83Å; F379-L384 HydrophobicContact CD1-CD1 3.84Å; F379-L384 HydrophobicContact CD1-CG 3.8Å; F379-L384 HydrophobicContact CE1-CD1 3.79Å; F379-L384 HydrophobicContact CE1-CD2 3.85Å; F379-L384 HydrophobicContact CE1-CG 3.58Å; F379-L384 PolarHBondContact O-N 3.04Å
380	V	94.4	Very high	90.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-73.7	-50.8	179.9	-167.6	0	0	0	0	109.6	P274 M275 Y278 Q376 R377 T378 F382 L384 E385	P274-V380 HydrophobicContact CB-CG1 3.43Å; P274-V380 VanDerWaalsContact CB-CG1 3.43Å; M275-V380 HydrophobicContact CG-CG1 4.3Å; Y278-V380 HydrophobicContact CG-CG2 4.07Å; Q376-V380 HydrophobicContact CB-CB 4.14Å; Q376-V380 HydrophobicContact CB-CG1 4.4Å; R377-V380 HydrophobicContact CB-CG2 4.23Å; R377-V380 WeakPolarHBondContact O-CA 3.31Å; R377-V380 WeakPolarHBondContact O-CB 3.46Å; R377-V380 PolarHBondContact O-N 2.82Å; T378-V380 VanDerWaalsContact C-N 3.26Å; T378-V380 PolarHBondContact O-N 3.32Å; V380-F382 PolarHBondContact O-N 3.15Å; V380-L384 HydrophobicContact CG1-CB 4.49Å; V380-L384 PolarHBondContact O-N 3.13Å; V380-E385 HydrophobicContact CG1-CG 4.45Å; V380-E385 WeakPolarHBondContact O-CB 3.42Å; V380-E385 WeakPolarHBondContact O-CG 3.41Å; V380-E385 PolarHBondContact O-N 2.91Å
381	D	92.5	Very high	90.6	Very high	47 Å²	47	37 Å²	37	25%	0.251	21%	0.21	S	C	.	.	I	π-helix	trans	-62.2	-43.5	-178.5	-77.9	-19.2	0	0	0	113.1	Q376 R377 T378 P386	Q376-D381 WeakPolarHBondContact CB-OD1 3.32Å; R377-D381 PolarHBondContact O-N 2.81Å; T378-D381 PolarHBondContact O-N 2.56Å; D381-P386 WeakPolarHBondContact O-CD 3.48Å
382	F	93.4	Very high	90.9	Very high	38 Å²	38	37.5 Å²	37.5	17%	0.167	22%	0.218	C	C	.	.	I	π-helix	trans	-101	-14.1	-171.4	-70.9	-89	0	0	0	114.6	F332 Y336 F349 L353 F359 F366 T378 V380	F332-F382 WeakPolarHBondContact CE1-O 3.39Å; Y336-F382 HydrophobicContact CE1-CD1 4.38Å; Y336-F382 HydrophobicContact CE2-CB 4.16Å; Y336-F382 HydrophobicContact CE2-CD1 4.26Å; Y336-F382 VanDerWaalsContact CE2-O 3.32Å; Y336-F382 WeakPolarHBondContact CE2-O 3.32Å; Y336-F382 AromaticContact CZ-CD1 3.97Å; Y336-F382 PolarHBondContact OH-O 3.48Å; F349-F382 AromaticContact CZ-CD1 3.94Å; F349-F382 HydrophobicContact CZ-CD1 3.94Å; F349-F382 HydrophobicContact CZ-CE1 4.26Å; F349-F382 HydrophobicContact CZ-CG 4.28Å; L353-F382 HydrophobicContact CD2-CB 3.87Å; L353-F382 HydrophobicContact CD2-CG 4.28Å; F359-F382 HydrophobicContact CB-CE2 3.71Å; F359-F382 HydrophobicContact CB-CZ 4.38Å; F359-F382 AromaticContact CD1-CE2 3.98Å; F359-F382 HydrophobicContact CD1-CE2 3.98Å; F359-F382 AromaticContact CD1-CZ 3.86Å; F359-F382 HydrophobicContact CD1-CZ 3.86Å; F359-F382 HydrophobicContact CD2-CE2 4.21Å; F359-F382 HydrophobicContact CD2-CZ 4.14Å; F359-F382 HydrophobicContact CE1-CZ 4.09Å; F359-F382 HydrophobicContact CE2-CZ 4.36Å; F359-F382 AromaticContact CG-CE2 3.72Å; F359-F382 HydrophobicContact CG-CE2 3.72Å; F359-F382 AromaticContact CG-CZ 3.87Å; F359-F382 HydrophobicContact CG-CZ 3.87Å; F359-F382 HydrophobicContact CZ-CZ 4.33Å; F366-F382 HydrophobicContact CE1-CE2 4.24Å; T378-F382 WeakPolarHBondContact O-CB 3.4Å; T378-F382 WeakPolarHBondContact O-CD2 3.29Å; T378-F382 PolarHBondContact O-N 2.66Å; V380-F382 PolarHBondContact O-N 3.15Å
383	I	94.5	Very high	91	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-122.5	-61.1	-178.6	-60.1	-179.4	0	0	0	110.5	F327 L329 F332 L353 F379 P386 L387	F327-I383 HydrophobicContact CE2-CG2 3.54Å; F327-I383 HydrophobicContact CZ-CG2 3.62Å; L329-I383 HydrophobicContact CD2-CD1 3.65Å; F332-I383 HydrophobicContact CB-CD1 4.43Å; F332-I383 HydrophobicContact CD1-CG1 3.91Å; F332-I383 HydrophobicContact CD2-CG1 4.43Å; F332-I383 HydrophobicContact CD2-CG2 4.15Å; F332-I383 HydrophobicContact CE1-CG1 4.14Å; F332-I383 HydrophobicContact CE2-CG2 4.03Å; F332-I383 HydrophobicContact CG-CD1 4.35Å; F332-I383 HydrophobicContact CG-CG1 4.08Å; F332-I383 HydrophobicContact CZ-CG1 4.49Å; F332-I383 HydrophobicContact CZ-CG2 4.4Å; L353-I383 HydrophobicContact CD1-CD1 4.27Å; F379-I383 HydrophobicContact CD2-CB 4.33Å; F379-I383 HydrophobicContact CD2-CD1 3.62Å; F379-I383 HydrophobicContact CD2-CG1 4.39Å; F379-I383 HydrophobicContact CE2-CB 4.28Å; F379-I383 HydrophobicContact CE2-CD1 3.6Å; F379-I383 HydrophobicContact CE2-CG1 4.49Å; F379-I383 HydrophobicContact CE2-CG2 4.16Å; F379-I383 HydrophobicContact CZ-CG2 4.15Å; F379-I383 WeakPolarHBondContact O-CA 3.31Å; F379-I383 VanDerWaalsContact O-CB 3.28Å; F379-I383 WeakPolarHBondContact O-CB 3.12Å; F379-I383 PolarHBondContact O-N 2.83Å; I383-P386 WeakPolarHBondContact O-CD 3.47Å; I383-L387 HydrophobicContact CG2-CD1 4.02Å; I383-L387 WeakPolarHBondContact O-CB 3.1Å; I383-L387 VanDerWaalsContact O-CG 3.27Å; I383-L387 WeakPolarHBondContact O-CG 3.34Å; I383-L387 PolarHBondContact O-N 3.34Å
384	L	94.2	Very high	91.3	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.167	C	C	.	.	I	π-helix	trans	-68.9	-45.2	-174.9	-65.1	179.9	0	0	0	112.6	P274 A277 I281 F379 V380 L387 Y388	P274-L384 HydrophobicContact CB-CB 4.21Å; P274-L384 VanDerWaalsContact O-CD1 3.23Å; P274-L384 WeakPolarHBondContact O-CD1 3.41Å; A277-L384 HydrophobicContact CB-CD1 4.26Å; I281-L384 HydrophobicContact CD1-CD2 4.44Å; F379-L384 HydrophobicContact CD1-CD1 3.84Å; F379-L384 HydrophobicContact CD1-CG 3.8Å; F379-L384 HydrophobicContact CE1-CD1 3.79Å; F379-L384 HydrophobicContact CE1-CD2 3.85Å; F379-L384 HydrophobicContact CE1-CG 3.58Å; F379-L384 PolarHBondContact O-N 3.04Å; V380-L384 HydrophobicContact CG1-CB 4.49Å; V380-L384 PolarHBondContact O-N 3.13Å; L384-L387 PolarHBondContact O-N 3.24Å; L384-Y388 HydrophobicContact CB-CD2 4.35Å; L384-Y388 HydrophobicContact CB-CE2 4.38Å; L384-Y388 WeakPolarHBondContact O-CB 3.44Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.48Å
385	E	93.8	Very high	91.5	Very high	49 Å²	49	28.4 Å²	28.4	23%	0.229	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-47.4	179.4	-81.2	-160.1	172.2	0	0	113	Q376 V380 L387 Y388 K389	Q376-E385 VanDerWaalsContact CD-OE1 3.27Å; Q376-E385 PolarHBondContact NE2-OE1 3.24Å; Q376-E385 PolarHBondContact OE1-OE1 2.88Å; Q376-E385 VanDerWaalsContact OE1-OE1 3.1Å; V380-E385 HydrophobicContact CG1-CG 4.45Å; V380-E385 WeakPolarHBondContact O-CB 3.42Å; V380-E385 WeakPolarHBondContact O-CG 3.41Å; V380-E385 PolarHBondContact O-N 2.91Å; E385-L387 PolarHBondContact O-N 2.79Å; E385-Y388 PolarHBondContact O-N 3.02Å; E385-K389 WeakPolarHBondContact O-CB 3.49Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.07Å; E385-K389 PolarHBondContact O-N 3.01Å; E385-K389 IonicContact OE2-NZ 3.4Å
386	P	92.9	Very high	91.4	Very high	31 Å²	31	29.9 Å²	29.9	20%	0.201	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-45.2	172.6	-27.5	34.9	0	0	0	113.2	D381 I383 Y388 K389 I390	D381-P386 WeakPolarHBondContact O-CD 3.48Å; I383-P386 WeakPolarHBondContact O-CD 3.47Å; P386-Y388 PolarHBondContact O-N 3.26Å; P386-K389 PolarHBondContact O-N 3.07Å; P386-I390 WeakPolarHBondContact O-CG1 3.2Å; P386-I390 PolarHBondContact O-N 2.64Å
387	L	92.9	Very high	90.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-47.7	177.4	-74.3	173.9	0	0	0	111.7	F327 F332 I383 L384 E385 K389 I390 F391 F430 F434	F327-L387 HydrophobicContact CE1-CD1 3.75Å; F327-L387 HydrophobicContact CZ-CD1 3.79Å; F332-L387 HydrophobicContact CE2-CG 4.48Å; I383-L387 HydrophobicContact CG2-CD1 4.02Å; I383-L387 WeakPolarHBondContact O-CB 3.1Å; I383-L387 VanDerWaalsContact O-CG 3.27Å; I383-L387 WeakPolarHBondContact O-CG 3.34Å; I383-L387 PolarHBondContact O-N 3.34Å; L384-L387 PolarHBondContact O-N 3.24Å; E385-L387 PolarHBondContact O-N 2.79Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 2.83Å; L387-I390 PolarHBondContact O-N 2.83Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.25Å; L387-F391 PolarHBondContact O-N 3.29Å; L387-F430 HydrophobicContact CD2-CE1 3.78Å; L387-F430 HydrophobicContact CD2-CZ 4.3Å; L387-F434 HydrophobicContact CD2-CE2 4.15Å; L387-F434 HydrophobicContact CD2-CZ 3.96Å
388	Y	93.5	Very high	90	Very high	34 Å²	34	32 Å²	32	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-38.7	177.6	-88.4	-116.7	0	0	0	111.9	I267 L272 P274 A277 L384 E385 P386 F391 A392	I267-Y388 HydrophobicContact CB-CE1 4.47Å; I267-Y388 HydrophobicContact CB-CE2 4.45Å; I267-Y388 HydrophobicContact CD1-CD2 3.68Å; I267-Y388 HydrophobicContact CD1-CE2 3.68Å; I267-Y388 HydrophobicContact CD1-CG 4.43Å; I267-Y388 HydrophobicContact CG1-CD2 3.91Å; I267-Y388 HydrophobicContact CG1-CE1 4.31Å; I267-Y388 HydrophobicContact CG1-CE2 3.48Å; I267-Y388 VanDerWaalsContact CG1-CE2 3.48Å; I267-Y388 HydrophobicContact CG2-CD1 4.01Å; I267-Y388 HydrophobicContact CG2-CD2 4.36Å; I267-Y388 HydrophobicContact CG2-CE1 4.09Å; I267-Y388 HydrophobicContact CG2-CE2 4.48Å; I267-Y388 HydrophobicContact CG2-CG 4.16Å; L272-Y388 WeakPolarHBondContact O-CE1 3.49Å; L272-Y388 PolarHBondContact O-OH 3.28Å; P274-Y388 HydrophobicContact CG-CD1 3.79Å; P274-Y388 HydrophobicContact CG-CD2 4.35Å; P274-Y388 HydrophobicContact CG-CE1 3.96Å; P274-Y388 HydrophobicContact CG-CE2 4.46Å; P274-Y388 HydrophobicContact CG-CG 3.99Å; A277-Y388 VanDerWaalsContact CB-OH 3.23Å; A277-Y388 WeakPolarHBondContact CB-OH 3.44Å; L384-Y388 HydrophobicContact CB-CD2 4.35Å; L384-Y388 HydrophobicContact CB-CE2 4.38Å; L384-Y388 WeakPolarHBondContact O-CB 3.44Å; L384-Y388 WeakPolarHBondContact O-CD2 3.47Å; L384-Y388 PolarHBondContact O-N 3.48Å; E385-Y388 PolarHBondContact O-N 3.02Å; P386-Y388 PolarHBondContact O-N 3.26Å; Y388-F391 PolarHBondContact O-N 2.91Å; Y388-A392 VanDerWaalsContact O-CB 3.22Å; Y388-A392 WeakPolarHBondContact O-CB 3.36Å; Y388-A392 PolarHBondContact O-N 3.16Å
389	K	91.6	Very high	89.2	Confident	111 Å²	111	39.5 Å²	39.5	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-43.7	175	-75	171.5	-173.6	167.2	0	111.8	E385 P386 L387 A392 Q393	E385-K389 WeakPolarHBondContact O-CB 3.49Å; E385-K389 VanDerWaalsContact O-CG 3.3Å; E385-K389 WeakPolarHBondContact O-CG 3.07Å; E385-K389 PolarHBondContact O-N 3.01Å; E385-K389 IonicContact OE2-NZ 3.4Å; P386-K389 PolarHBondContact O-N 3.07Å; L387-K389 VanDerWaalsContact C-N 3.3Å; L387-K389 PolarHBondContact O-N 2.83Å; K389-A392 PolarHBondContact O-N 2.92Å; K389-Q393 WeakPolarHBondContact O-CB 3.27Å; K389-Q393 WeakPolarHBondContact O-CG 3.45Å; K389-Q393 PolarHBondContact O-N 3.33Å
390	I	91.6	Very high	88.6	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-49	176.1	-65.6	168.3	0	0	0	110	P386 L387 T394 L405 L409 I429 F430 F433	P386-I390 WeakPolarHBondContact O-CG1 3.2Å; P386-I390 PolarHBondContact O-N 2.64Å; L387-I390 PolarHBondContact O-N 2.83Å; I390-T394 HydrophobicContact CG2-CG2 4.48Å; I390-T394 WeakPolarHBondContact O-CB 3.35Å; I390-T394 WeakPolarHBondContact O-CG2 3.37Å; I390-T394 PolarHBondContact O-N 2.78Å; I390-T394 VanDerWaalsContact O-N 3.13Å; I390-T394 PolarHBondContact O-OG1 3.04Å; I390-L405 HydrophobicContact CG1-CD2 4.45Å; I390-L409 HydrophobicContact CD1-CD1 4.05Å; I390-L409 HydrophobicContact CD1-CD2 4.42Å; I390-L409 HydrophobicContact CG1-CD1 4.04Å; I390-I429 HydrophobicContact CG2-CG2 4.19Å; I390-F430 HydrophobicContact CB-CE1 4.42Å; I390-F430 HydrophobicContact CB-CZ 4.21Å; I390-F430 HydrophobicContact CD1-CE1 4.17Å; I390-F430 HydrophobicContact CG2-CE1 3.89Å; I390-F430 HydrophobicContact CG2-CE2 4.23Å; I390-F430 HydrophobicContact CG2-CZ 3.63Å; I390-F433 HydrophobicContact CD1-CD1 4.44Å; I390-F433 HydrophobicContact CD1-CE1 4.39Å
391	F	91.5	Very high	88	Confident	3 Å²	3	46.2 Å²	46.2	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-46.6	176.5	-80.8	-71.3	0	0	0	112.9	D264 I267 I268 Y323 F325 L387 Y388 T394 V395 L426 F430	D264-F391 HydrophobicContact CB-CE1 4.33Å; D264-F391 HydrophobicContact CB-CZ 3.9Å; I267-F391 HydrophobicContact CB-CD2 4.48Å; I267-F391 HydrophobicContact CD1-CD2 3.43Å; I267-F391 VanDerWaalsContact CD1-CD2 3.43Å; I267-F391 HydrophobicContact CD1-CE2 3.58Å; I267-F391 HydrophobicContact CD1-CG 4.38Å; I267-F391 HydrophobicContact CG2-CB 3.84Å; I267-F391 HydrophobicContact CG2-CD2 4.11Å; I267-F391 HydrophobicContact CG2-CG 4.08Å; I268-F391 HydrophobicContact CD1-CD1 3.78Å; I268-F391 HydrophobicContact CD1-CE1 3.79Å; I268-F391 HydrophobicContact CG1-CD1 4.19Å; I268-F391 HydrophobicContact CG1-CE1 4.49Å; Y323-F391 AromaticContact CD2-CE1 3.85Å; Y323-F391 HydrophobicContact CD2-CE1 3.85Å; Y323-F391 AromaticContact CD2-CZ 3.97Å; Y323-F391 HydrophobicContact CD2-CZ 3.97Å; Y323-F391 AromaticContact CE2-CE1 3.82Å; Y323-F391 HydrophobicContact CE2-CE1 3.82Å; Y323-F391 HydrophobicContact CE2-CZ 4.32Å; Y323-F391 HydrophobicContact CG-CE1 4.23Å; Y323-F391 HydrophobicContact CG-CZ 4.41Å; F325-F391 HydrophobicContact CE1-CE2 4.36Å; F325-F391 HydrophobicContact CE1-CZ 4.08Å; F325-F391 HydrophobicContact CZ-CE2 4.39Å; F325-F391 HydrophobicContact CZ-CZ 4.44Å; L387-F391 VanDerWaalsContact O-CD2 3.24Å; L387-F391 WeakPolarHBondContact O-CD2 3.25Å; L387-F391 PolarHBondContact O-N 3.29Å; Y388-F391 PolarHBondContact O-N 2.91Å; F391-T394 PolarHBondContact O-OG1 3.38Å; F391-V395 VanDerWaalsContact O-CB 3.31Å; F391-V395 WeakPolarHBondContact O-CB 3.37Å; F391-V395 WeakPolarHBondContact O-CG2 3.48Å; F391-V395 PolarHBondContact O-N 3.15Å; F391-L426 HydrophobicContact CD1-CD1 3.88Å; F391-L426 HydrophobicContact CD1-CD2 3.93Å; F391-L426 HydrophobicContact CE1-CD1 4.05Å; F391-L426 HydrophobicContact CE1-CD2 4.17Å; F391-F430 HydrophobicContact CD1-CE2 4.24Å; F391-F430 HydrophobicContact CD2-CE2 4.26Å; F391-F430 AromaticContact CD2-CZ 3.91Å; F391-F430 HydrophobicContact CD2-CZ 3.91Å; F391-F430 AromaticContact CE1-CE2 3.68Å; F391-F430 HydrophobicContact CE1-CE2 3.68Å; F391-F430 HydrophobicContact CE1-CZ 4.29Å; F391-F430 AromaticContact CE2-CE2 3.67Å; F391-F430 HydrophobicContact CE2-CE2 3.67Å; F391-F430 AromaticContact CE2-CZ 3.47Å; F391-F430 HydrophobicContact CE2-CZ 3.47Å; F391-F430 VanDerWaalsContact CE2-CZ 3.47Å; F391-F430 HydrophobicContact CG-CZ 4.48Å; F391-F430 HydrophobicContact CZ-CD2 4.42Å; F391-F430 AromaticContact CZ-CE2 3.37Å; F391-F430 HydrophobicContact CZ-CE2 3.37Å; F391-F430 AromaticContact CZ-CZ 3.71Å; F391-F430 HydrophobicContact CZ-CZ 3.71Å
392	A	89.7	Confident	87.5	Confident	61 Å²	61	44 Å²	44	50%	0.504	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-45.4	-177.7	0	0	0	0	0	112.4	Y388 K389 V395 G396	Y388-A392 VanDerWaalsContact O-CB 3.22Å; Y388-A392 WeakPolarHBondContact O-CB 3.36Å; Y388-A392 PolarHBondContact O-N 3.16Å; K389-A392 PolarHBondContact O-N 2.92Å; A392-V395 PolarHBondContact O-N 3.19Å; A392-G396 PolarHBondContact O-N 2.86Å
393	Q	87.6	Confident	87.1	Confident	54 Å²	54	45.4 Å²	45.4	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-71.4	-33.2	-178.1	-69.8	-178.3	-4.4	0	0	112.5	K389 D397 V398 L405	K389-Q393 WeakPolarHBondContact O-CB 3.27Å; K389-Q393 WeakPolarHBondContact O-CG 3.45Å; K389-Q393 PolarHBondContact O-N 3.33Å; Q393-D397 CarbonylContact O-C 3.28Å; Q393-D397 WeakPolarHBondContact O-CA 3.47Å; Q393-D397 PolarHBondContact O-N 2.87Å; Q393-V398 PolarHBondContact O-N 3.26Å; Q393-L405 HydrophobicContact CB-CD2 4.1Å; Q393-L405 VanDerWaalsContact OE1-CB 3.31Å; Q393-L405 VanDerWaalsContact OE1-CD1 3.32Å; Q393-L405 VanDerWaalsContact OE1-CD2 3.32Å
394	T	86.5	Confident	86.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-79.3	-25.2	176.2	54.7	0	0	0	0	113.7	I390 F391 V398 L402 L426 I429	I390-T394 HydrophobicContact CG2-CG2 4.48Å; I390-T394 WeakPolarHBondContact O-CB 3.35Å; I390-T394 WeakPolarHBondContact O-CG2 3.37Å; I390-T394 PolarHBondContact O-N 2.78Å; I390-T394 VanDerWaalsContact O-N 3.13Å; I390-T394 PolarHBondContact O-OG1 3.04Å; F391-T394 PolarHBondContact O-OG1 3.38Å; T394-V398 WeakPolarHBondContact O-CG2 3.46Å; T394-L402 HydrophobicContact CG2-CD1 3.71Å; T394-L426 HydrophobicContact CG2-CD2 3.96Å; T394-L426 WeakPolarHBondContact OG1-CD2 3.35Å; T394-I429 HydrophobicContact CG2-CD1 3.53Å
395	V	86.7	Confident	86.3	Confident	71 Å²	71	48.7 Å²	48.7	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-90.3	-36.9	177.7	175.6	0	0	0	0	111.3	F391 A392 I422 L426	F391-V395 VanDerWaalsContact O-CB 3.31Å; F391-V395 WeakPolarHBondContact O-CB 3.37Å; F391-V395 WeakPolarHBondContact O-CG2 3.48Å; F391-V395 PolarHBondContact O-N 3.15Å; A392-V395 PolarHBondContact O-N 3.19Å; V395-I422 HydrophobicContact CB-CG2 4.49Å; V395-I422 HydrophobicContact CG2-CG2 3.89Å; V395-L426 HydrophobicContact CG2-CD1 4.09Å
396	G	83	Confident	85.8	Confident	57 Å²	57	46.8 Å²	46.8	59%	0.588	28%	0.283	S	S	*	.	H	α-helix	trans	-95.4	-45	-175.9	0	0	0	0	0	114.8	A392	A392-G396 PolarHBondContact O-N 2.86Å
397	D	77.7	Confident	85.5	Confident	82 Å²	82	49.9 Å²	49.9	44%	0.439	31%	0.306	S	S	.	.			trans	-125.1	41.5	-161.6	-68.4	-45.6	0	0	0	112.7	Q393 D399 T400 C401 L402	Q393-D397 CarbonylContact O-C 3.28Å; Q393-D397 WeakPolarHBondContact O-CA 3.47Å; Q393-D397 PolarHBondContact O-N 2.87Å; D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact O-N 2.78Å; D397-T400 WeakPolarHBondContact CB-OG1 3.41Å; D397-T400 PolarHBondContact O-N 2.64Å; D397-T400 PolarHBondContact O-OG1 3.18Å; D397-C401 HydrophobicContact CB-CB 4Å; D397-C401 PolarHBondContact O-N 3Å; D397-L402 PolarHBondContact O-N 2.88Å
398	V	75.5	Confident	85.3	Confident	28 Å²	28	57 Å²	57	17%	0.17	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-44.9	-177	178	0	0	0	0	111.9	Q393 T394 L402 L425	Q393-V398 PolarHBondContact O-N 3.26Å; T394-V398 WeakPolarHBondContact O-CG2 3.46Å; V398-L402 HydrophobicContact CG1-CD2 4.05Å; V398-L402 WeakPolarHBondContact O-CB 3.37Å; V398-L425 HydrophobicContact CG1-CD2 4.23Å
399	D	75.7	Confident	85	Confident	156 Å²	156	57.4 Å²	57.4	83%	0.834	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-27.7	-171.4	-63.2	-35.8	0	0	0	113.1	D397	D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact O-N 2.78Å
400	T	81.6	Confident	84.7	Confident	101 Å²	101	55.5 Å²	55.5	62%	0.62	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-45.6	-170.1	49.7	0	0	0	0	112.5	D397	D397-T400 WeakPolarHBondContact CB-OG1 3.41Å; D397-T400 PolarHBondContact O-N 2.64Å; D397-T400 PolarHBondContact O-OG1 3.18Å
401	C	82.6	Confident	84.5	Confident	41 Å²	41	56.1 Å²	56.1	28%	0.277	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-19.9	-168.3	-68.1	0	0	0	0	113.7	D397 S404 L405	D397-C401 HydrophobicContact CB-CB 4Å; D397-C401 PolarHBondContact O-N 3Å; C401-S404 PolarHBondContact O-N 3.31Å; C401-S404 VanDerWaalsContact O-N 3.16Å; C401-S404 PolarHBondContact O-OG 3.16Å; C401-L405 PolarHBondContact O-N 2.82Å
402	L	81.8	Confident	84.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-57.8	-44.1	-175.3	-173.2	67.8	0	0	0	114	T394 D397 V398 S404 L405 C406 L413 L425 I429	T394-L402 HydrophobicContact CG2-CD1 3.71Å; D397-L402 PolarHBondContact O-N 2.88Å; V398-L402 HydrophobicContact CG1-CD2 4.05Å; V398-L402 WeakPolarHBondContact O-CB 3.37Å; L402-S404 VanDerWaalsContact C-N 3.29Å; L402-S404 PolarHBondContact O-N 2.75Å; L402-L405 PolarHBondContact O-N 3.01Å; L402-C406 WeakPolarHBondContact O-CB 3.28Å; L402-C406 PolarHBondContact O-N 3.46Å; L402-C406 PolarHBondContact O-SG 2.95Å; L402-L413 HydrophobicContact CD2-CD1 4.22Å; L402-L425 HydrophobicContact CD2-CD2 3.89Å; L402-I429 HydrophobicContact CD1-CD1 3.82Å
403	P	84	Confident	84.2	Confident	69 Å²	69	62.4 Å²	62.4	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-37.5	179.2	-22.4	34.6	0	0	0	112.4	S407 M418	P403-S407 WeakPolarHBondContact O-CB 3.44Å; P403-S407 PolarHBondContact O-N 3.43Å; P403-M418 HydrophobicContact CG-CE 3.89Å
404	S	86.2	Confident	84.4	Confident	61 Å²	61	61.9 Å²	61.9	43%	0.427	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-43.3	176.4	54.6	0	0	0	0	111.8	C401 L402 C406 S407 E408	C401-S404 PolarHBondContact O-N 3.31Å; C401-S404 VanDerWaalsContact O-N 3.16Å; C401-S404 PolarHBondContact O-OG 3.16Å; L402-S404 VanDerWaalsContact C-N 3.29Å; L402-S404 PolarHBondContact O-N 2.75Å; S404-C406 PolarHBondContact O-N 3.28Å; S404-S407 WeakPolarHBondContact O-CB 3.21Å; S404-S407 PolarHBondContact O-N 3.34Å; S404-E408 WeakPolarHBondContact O-CG 3.35Å; S404-E408 PolarHBondContact O-N 2.74Å
405	L	85.8	Confident	84.4	Confident	10 Å²	10	70.5 Å²	70.5	5%	0.052	41%	0.409	C	S	.	.	H	α-helix	trans	-61.5	-46.5	175.4	178.9	64	0	0	0	111.5	I390 Q393 C401 L402 S407 E408 L409	I390-L405 HydrophobicContact CG1-CD2 4.45Å; Q393-L405 HydrophobicContact CB-CD2 4.1Å; Q393-L405 VanDerWaalsContact OE1-CB 3.31Å; Q393-L405 VanDerWaalsContact OE1-CD1 3.32Å; Q393-L405 VanDerWaalsContact OE1-CD2 3.32Å; C401-L405 PolarHBondContact O-N 2.82Å; L402-L405 PolarHBondContact O-N 3.01Å; L405-S407 VanDerWaalsContact C-N 3.25Å; L405-S407 PolarHBondContact O-N 2.86Å; L405-E408 PolarHBondContact O-N 3.04Å; L405-E408 VanDerWaalsContact O-N 3.08Å; L405-L409 HydrophobicContact CD1-CD1 3.85Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CD2-CD1 4.28Å; L405-L409 HydrophobicContact CG-CD1 3.79Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 2.87Å
406	C	84.1	Confident	84.5	Confident	8 Å²	8	71 Å²	71	5%	0.054	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-39.8	179	-69.4	0	0	0	0	110.8	L402 S404 L409 G410 I411	L402-C406 WeakPolarHBondContact O-CB 3.28Å; L402-C406 PolarHBondContact O-N 3.46Å; L402-C406 PolarHBondContact O-SG 2.95Å; S404-C406 PolarHBondContact O-N 3.28Å; C406-L409 PolarHBondContact O-N 3.43Å; C406-G410 PolarHBondContact O-N 2.8Å; C406-I411 CarbonylContact C-O 3.52Å; C406-I411 VanDerWaalsContact CB-O 3.32Å; C406-I411 WeakPolarHBondContact CB-O 3.37Å; C406-I411 PolarHBondContact O-N 3.42Å; C406-I411 VanDerWaalsContact O-O 3.12Å
407	S	86.3	Confident	84.7	Confident	97 Å²	97	70 Å²	70	68%	0.678	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-40.4	173.3	-173	0	0	0	0	112.8	P403 S404 L405 G410	P403-S407 WeakPolarHBondContact O-CB 3.44Å; P403-S407 PolarHBondContact O-N 3.43Å; S404-S407 WeakPolarHBondContact O-CB 3.21Å; S404-S407 PolarHBondContact O-N 3.34Å; L405-S407 VanDerWaalsContact C-N 3.25Å; L405-S407 PolarHBondContact O-N 2.86Å; S407-G410 PolarHBondContact O-N 3.34Å
408	E	87.7	Confident	85	Confident	151 Å²	151	69.5 Å²	69.5	71%	0.706	39%	0.392	S	S	*	.	H	α-helix	trans	-68	-36.7	176.9	-73.6	-179.2	-173	0	0	112.8	S404 L405 G410	S404-E408 WeakPolarHBondContact O-CG 3.35Å; S404-E408 PolarHBondContact O-N 2.74Å; L405-E408 PolarHBondContact O-N 3.04Å; L405-E408 VanDerWaalsContact O-N 3.08Å; E408-G410 VanDerWaalsContact C-N 3.3Å
409	L	86.9	Confident	85.6	Confident	42 Å²	42	76.7 Å²	76.7	22%	0.22	42%	0.421	C	S	.	.	H	α-helix	trans	-82.1	-6.1	178.5	-61.8	174.9	0	0	0	113.3	I390 L405 C406 I411 F433	I390-L409 HydrophobicContact CD1-CD1 4.05Å; I390-L409 HydrophobicContact CD1-CD2 4.42Å; I390-L409 HydrophobicContact CG1-CD1 4.04Å; L405-L409 HydrophobicContact CD1-CD1 3.85Å; L405-L409 HydrophobicContact CD1-CG 4.01Å; L405-L409 HydrophobicContact CD2-CD1 4.28Å; L405-L409 HydrophobicContact CG-CD1 3.79Å; L405-L409 HydrophobicContact CG-CG 4.29Å; L405-L409 WeakPolarHBondContact O-CG 3.41Å; L405-L409 PolarHBondContact O-N 2.87Å; C406-L409 PolarHBondContact O-N 3.43Å; L409-I411 VanDerWaalsContact C-N 3.32Å; L409-I411 HydrophobicContact CB-CD1 3.79Å; L409-I411 HydrophobicContact CB-CG1 3.94Å; L409-I411 HydrophobicContact CD1-CD1 4.02Å; L409-F433 HydrophobicContact CB-CD2 4.31Å; L409-F433 HydrophobicContact CD2-CD2 4.12Å; L409-F433 HydrophobicContact CD2-CE2 3.71Å; L409-F433 HydrophobicContact CD2-CZ 4.39Å
410	G	86.3	Confident	86.1	Confident	71 Å²	71	72.4 Å²	72.4	73%	0.732	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	21	-175.2	0	0	0	0	0	114.3	C406 S407 E408	C406-G410 PolarHBondContact O-N 2.8Å; S407-G410 PolarHBondContact O-N 3.34Å; E408-G410 VanDerWaalsContact C-N 3.3Å
411	I	87.8	Confident	86.3	Confident	15 Å²	15	73 Å²	73	8%	0.077	40%	0.397	C	S	.	.			trans	-99.5	126.5	-177.7	-56.7	170.9	0	0	0	109.3	C406 L409 L413 I429 R432 F433	C406-I411 CarbonylContact C-O 3.52Å; C406-I411 VanDerWaalsContact CB-O 3.32Å; C406-I411 WeakPolarHBondContact CB-O 3.37Å; C406-I411 PolarHBondContact O-N 3.42Å; C406-I411 VanDerWaalsContact O-O 3.12Å; L409-I411 VanDerWaalsContact C-N 3.32Å; L409-I411 HydrophobicContact CB-CD1 3.79Å; L409-I411 HydrophobicContact CB-CG1 3.94Å; L409-I411 HydrophobicContact CD1-CD1 4.02Å; I411-L413 HydrophobicContact CG2-CD2 4.15Å; I411-L413 HydrophobicContact CG2-CG 4.37Å; I411-I429 HydrophobicContact CD1-CG2 4.06Å; I411-R432 HydrophobicContact CG1-CB 4.39Å; I411-R432 HydrophobicContact CG2-CB 3.91Å; I411-R432 HydrophobicContact CG2-CG 4.48Å; I411-F433 HydrophobicContact CD1-CB 3.84Å; I411-F433 HydrophobicContact CD1-CD2 4.32Å
412	Y	87.9	Confident	86.6	Confident	181 Å²	181	74.6 Å²	74.6	71%	0.71	40%	0.402	S	S	*	.			trans	-98.5	128.8	169.6	175.5	-99.3	0	0	0	109.5	T414 R432	Y412-T414 HydrophobicContact CE1-CG2 4.2Å; Y412-R432 PolarHBondContact O-NH1 3.3Å
413	L	87.1	Confident	86.8	Confident	16 Å²	16	81.5 Å²	81.5	8%	0.084	43%	0.428	C	S	.	.			trans	-112.9	139.8	173.1	-64.4	178.5	0	0	0	110	L402 I411 E417 M418 L425 L428 I429	L402-L413 HydrophobicContact CD2-CD1 4.22Å; I411-L413 HydrophobicContact CG2-CD2 4.15Å; I411-L413 HydrophobicContact CG2-CG 4.37Å; L413-E417 WeakPolarHBondContact CA-OE2 3.32Å; L413-M418 HydrophobicContact CB-CG 3.96Å; L413-M418 HydrophobicContact CD1-CG 4.36Å; L413-L425 HydrophobicContact CD1-CD1 3.95Å; L413-L428 HydrophobicContact CD2-CD2 3.9Å; L413-L428 HydrophobicContact CD2-CG 4.29Å; L413-I429 HydrophobicContact CD1-CD1 4.44Å; L413-I429 HydrophobicContact CD1-CG1 4.17Å; L413-I429 HydrophobicContact CD2-CG1 4.47Å
414	T	90.4	Very high	87	Confident	43 Å²	43	79.9 Å²	79.9	26%	0.264	42%	0.417	S	S	.	.			trans	-75.8	158.7	173.7	67.6	0	0	0	0	111.2	Y412 S416 E417 M418	Y412-T414 HydrophobicContact CE1-CG2 4.2Å; T414-S416 PolarHBondContact O-N 3.02Å; T414-S416 PolarHBondContact OG1-OG 3.43Å; T414-E417 PolarHBondContact N-OE2 3.47Å; T414-E417 WeakPolarHBondContact O-CB 3.43Å; T414-E417 PolarHBondContact O-N 3.23Å; T414-E417 WeakPolarHBondContact OG1-CB 3.39Å; T414-E417 WeakPolarHBondContact OG1-CG 3.4Å; T414-E417 PolarHBondContact OG1-N 3.36Å; T414-E417 PolarHBondContact OG1-OE2 3.44Å; T414-M418 PolarHBondContact O-N 3.48Å
415	K	86.9	Confident	87.1	Confident	180 Å²	180	77 Å²	77	78%	0.783	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.8	178.1	-69.7	-174.2	179.2	-179.6	0	113.6	K419	K415-K419 WeakPolarHBondContact O-CG 3.33Å
416	S	88.7	Confident	87.3	Confident	83 Å²	83	76.5 Å²	76.5	58%	0.58	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-41.6	173.5	40.1	0	0	0	0	111.4	T414 M418 K419	T414-S416 PolarHBondContact O-N 3.02Å; T414-S416 PolarHBondContact OG1-OG 3.43Å; S416-M418 VanDerWaalsContact C-N 3.35Å; S416-M418 PolarHBondContact O-N 2.95Å; S416-K419 PolarHBondContact O-N 3.49Å; S416-K419 VanDerWaalsContact O-N 3.15Å
417	E	87.6	Confident	87.5	Confident	36 Å²	36	78.5 Å²	78.5	17%	0.168	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-65.1	-38.3	178.6	-72.5	163.8	-179.5	0	0	112.1	L413 T414 K419 L420 L428 R432	L413-E417 WeakPolarHBondContact CA-OE2 3.32Å; T414-E417 PolarHBondContact N-OE2 3.47Å; T414-E417 WeakPolarHBondContact O-CB 3.43Å; T414-E417 PolarHBondContact O-N 3.23Å; T414-E417 WeakPolarHBondContact OG1-CB 3.39Å; T414-E417 WeakPolarHBondContact OG1-CG 3.4Å; T414-E417 PolarHBondContact OG1-N 3.36Å; T414-E417 PolarHBondContact OG1-OE2 3.44Å; E417-K419 PolarHBondContact O-N 2.92Å; E417-K419 VanDerWaalsContact O-N 3.17Å; E417-L420 HydrophobicContact CB-CD1 4.35Å; E417-L420 VanDerWaalsContact O-CB 3.24Å; E417-L420 WeakPolarHBondContact O-CB 2.91Å; E417-L420 WeakPolarHBondContact O-CD1 3.31Å; E417-L420 WeakPolarHBondContact O-CG 3.44Å; E417-L420 PolarHBondContact O-N 3.4Å; E417-L428 HydrophobicContact CB-CD2 3.68Å; E417-L428 HydrophobicContact CG-CD2 3.5Å; E417-R432 VanDerWaalsContact CD-NH2 3.31Å; E417-R432 IonicContact OE1-CZ 3.82Å; E417-R432 IonicContact OE1-NH1 3.63Å; E417-R432 IonicContact OE1-NH2 3.79Å; E417-R432 PolarHBondContact OE1-NH2 3.23Å; E417-R432 IonicContact OE2-CZ 3.73Å; E417-R432 IonicContact OE2-NH1 3.58Å; E417-R432 PolarHBondContact OE2-NH1 3.43Å; E417-R432 IonicContact OE2-NH2 3.65Å; E417-R432 PolarHBondContact OE2-NH2 3.36Å
418	M	84.4	Confident	87.6	Confident	70 Å²	70	75.3 Å²	75.3	35%	0.345	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-63.1	-20.2	175.8	-69.7	-175.3	73.7	0	0	113.7	P403 L413 T414 S416 L420	P403-M418 HydrophobicContact CG-CE 3.89Å; L413-M418 HydrophobicContact CB-CG 3.96Å; L413-M418 HydrophobicContact CD1-CG 4.36Å; T414-M418 PolarHBondContact O-N 3.48Å; S416-M418 VanDerWaalsContact C-N 3.35Å; S416-M418 PolarHBondContact O-N 2.95Å; M418-L420 VanDerWaalsContact C-N 3.34Å
419	K	86.7	Confident	87.7	Confident	180 Å²	180	68.1 Å²	68.1	78%	0.783	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-88.7	-1.4	177	-67.4	179.1	-179.6	-174.5	0	113.2	K415 S416 E417	K415-K419 WeakPolarHBondContact O-CG 3.33Å; S416-K419 PolarHBondContact O-N 3.49Å; S416-K419 VanDerWaalsContact O-N 3.15Å; E417-K419 PolarHBondContact O-N 2.92Å; E417-K419 VanDerWaalsContact O-N 3.17Å
420	L	86.4	Confident	87.9	Confident	65 Å²	65	66.1 Å²	66.1	34%	0.34	33%	0.332	S	S	.	.	S	Bend	trans	-65	154.2	177	-67.6	172.6	0	0	0	110.6	E417 M418 P424 L425 L428	E417-L420 HydrophobicContact CB-CD1 4.35Å; E417-L420 VanDerWaalsContact O-CB 3.24Å; E417-L420 WeakPolarHBondContact O-CB 2.91Å; E417-L420 WeakPolarHBondContact O-CD1 3.31Å; E417-L420 WeakPolarHBondContact O-CG 3.44Å; E417-L420 PolarHBondContact O-N 3.4Å; M418-L420 VanDerWaalsContact C-N 3.34Å; L420-P424 HydrophobicContact CB-CB 4.38Å; L420-L425 HydrophobicContact CB-CB 4.24Å; L420-L428 HydrophobicContact CD1-CD2 4.33Å
421	N	87.1	Confident	88	Confident	115 Å²	115	67 Å²	67	62%	0.615	31%	0.314	S	S	*	.			trans	-58.4	152.5	169.5	-69.2	-35.3	0	0	0	110.4	R423 P424 L425	N421-R423 PolarHBondContact O-N 2.97Å; N421-R423 VanDerWaalsContact O-N 3.08Å; N421-P424 HydrophobicContact CB-CG 4.31Å; N421-P424 VanDerWaalsContact O-CD 3.26Å; N421-P424 WeakPolarHBondContact O-CD 3.46Å; N421-L425 VanDerWaalsContact O-CB 3.26Å; N421-L425 WeakPolarHBondContact O-CB 3.45Å; N421-L425 PolarHBondContact O-N 3.22Å
422	I	87.5	Confident	88	Confident	73 Å²	73	71 Å²	71	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-51.4	-41	-173.9	-61.4	169.6	0	0	0	112.2	V395 L425 L426	V395-I422 HydrophobicContact CB-CG2 4.49Å; V395-I422 HydrophobicContact CG2-CG2 3.89Å; I422-L425 PolarHBondContact O-N 3.25Å; I422-L426 HydrophobicContact CG2-CD1 4.08Å; I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 WeakPolarHBondContact O-CG 3.31Å; I422-L426 PolarHBondContact O-N 3.32Å
423	R	87.1	Confident	88.1	Confident	145 Å²	145	64 Å²	64	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-55.2	-176.8	-62.9	-178	-174.1	153.1	-5.6	112.9	Y322 N421 L425 L426 R427	Y322-R423 HydrophobicContact CE1-CB 4.41Å; Y322-R423 HydrophobicContact CE1-CG 4.46Å; Y322-R423 VanDerWaalsContact OH-CD 3.29Å; Y322-R423 WeakPolarHBondContact OH-CD 3.28Å; N421-R423 PolarHBondContact O-N 2.97Å; N421-R423 VanDerWaalsContact O-N 3.08Å; R423-L425 VanDerWaalsContact C-N 3.25Å; R423-L425 PolarHBondContact O-N 2.74Å; R423-L426 PolarHBondContact O-N 2.92Å; R423-R427 PolarHBondContact O-N 2.92Å; R423-R427 VanDerWaalsContact O-N 3.1Å
424	P	87.7	Confident	88.1	Confident	35 Å²	35	64.2 Å²	64.2	23%	0.227	30%	0.301	C	S	.	.	H	α-helix	trans	-55.7	-38.3	170.2	-26.5	31.1	0	0	0	113.7	L420 N421 R427 L428	L420-P424 HydrophobicContact CB-CB 4.38Å; N421-P424 HydrophobicContact CB-CG 4.31Å; N421-P424 VanDerWaalsContact O-CD 3.26Å; N421-P424 WeakPolarHBondContact O-CD 3.46Å; P424-R427 WeakPolarHBondContact O-CB 3.18Å; P424-R427 PolarHBondContact O-N 3.25Å; P424-L428 PolarHBondContact O-N 2.94Å
425	L	89.1	Confident	87.7	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-47.6	178.8	178.7	59.9	0	0	0	111.6	V398 L402 L413 L420 N421 I422 R423 R427 L428 I429	V398-L425 HydrophobicContact CG1-CD2 4.23Å; L402-L425 HydrophobicContact CD2-CD2 3.89Å; L413-L425 HydrophobicContact CD1-CD1 3.95Å; L420-L425 HydrophobicContact CB-CB 4.24Å; N421-L425 VanDerWaalsContact O-CB 3.26Å; N421-L425 WeakPolarHBondContact O-CB 3.45Å; N421-L425 PolarHBondContact O-N 3.22Å; I422-L425 PolarHBondContact O-N 3.25Å; R423-L425 VanDerWaalsContact C-N 3.25Å; R423-L425 PolarHBondContact O-N 2.74Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.49Å; L425-L428 WeakPolarHBondContact O-CB 3.22Å; L425-L428 PolarHBondContact O-N 3.13Å; L425-I429 HydrophobicContact CD1-CD1 4.07Å; L425-I429 HydrophobicContact CD1-CG1 4.38Å; L425-I429 HydrophobicContact CG-CD1 3.91Å; L425-I429 VanDerWaalsContact O-CG1 3.31Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 3.38Å
426	L	89.5	Confident	87.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-45.4	174.5	-91.3	171.8	0	0	0	112	Y323 F391 T394 V395 I422 R423 L428 I429 F430	Y323-L426 HydrophobicContact CD1-CB 3.54Å; Y323-L426 HydrophobicContact CD1-CD1 4.24Å; Y323-L426 HydrophobicContact CD1-CG 4.49Å; Y323-L426 HydrophobicContact CE1-CB 3.61Å; Y323-L426 HydrophobicContact CE1-CD1 3.59Å; Y323-L426 HydrophobicContact CE1-CG 4.25Å; F391-L426 HydrophobicContact CD1-CD1 3.88Å; F391-L426 HydrophobicContact CD1-CD2 3.93Å; F391-L426 HydrophobicContact CE1-CD1 4.05Å; F391-L426 HydrophobicContact CE1-CD2 4.17Å; T394-L426 HydrophobicContact CG2-CD2 3.96Å; T394-L426 WeakPolarHBondContact OG1-CD2 3.35Å; V395-L426 HydrophobicContact CG2-CD1 4.09Å; I422-L426 HydrophobicContact CG2-CD1 4.08Å; I422-L426 WeakPolarHBondContact O-CB 3.38Å; I422-L426 WeakPolarHBondContact O-CG 3.31Å; I422-L426 PolarHBondContact O-N 3.32Å; R423-L426 PolarHBondContact O-N 2.92Å; L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 PolarHBondContact O-N 2.91Å; L426-I429 PolarHBondContact O-N 3.48Å; L426-F430 HydrophobicContact CD2-CD2 4.25Å; L426-F430 HydrophobicContact CD2-CE2 3.77Å; L426-F430 WeakPolarHBondContact O-CB 3.08Å; L426-F430 VanDerWaalsContact O-CD2 3.25Å; L426-F430 WeakPolarHBondContact O-CD2 3.26Å; L426-F430 PolarHBondContact O-N 3.05Å
427	R	88.7	Confident	87.7	Confident	49 Å²	49	55.4 Å²	55.4	19%	0.185	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-42.8	176.4	174.7	174.4	173.8	-173.4	-0.1	111.7	E154 R324 R423 P424 L425 R431	E154-R427 IonicContact OE1-CZ 3.65Å; E154-R427 IonicContact OE1-NH2 2.63Å; E154-R427 PolarHBondContact OE1-NH2 2.88Å; E154-R427 IonicContact OE2-CZ 3.73Å; E154-R427 IonicContact OE2-NH2 3.68Å; E154-R427 PolarHBondContact OE2-NH2 2.94Å; R324-R427 HydrophobicContact CB-CG 4.13Å; R324-R427 HydrophobicContact CG-CG 3.62Å; R423-R427 PolarHBondContact O-N 2.92Å; R423-R427 VanDerWaalsContact O-N 3.1Å; P424-R427 WeakPolarHBondContact O-CB 3.18Å; P424-R427 PolarHBondContact O-N 3.25Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.49Å; R427-R431 VanDerWaalsContact O-CB 3.26Å; R427-R431 WeakPolarHBondContact O-CB 3.31Å; R427-R431 PolarHBondContact O-N 3.03Å
428	L	88	Confident	87.8	Confident	30 Å²	30	54.9 Å²	54.9	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-44.1	178	-177.9	65.9	0	0	0	112.1	L413 E417 L420 P424 L425 L426 R431 R432	L413-L428 HydrophobicContact CD2-CD2 3.9Å; L413-L428 HydrophobicContact CD2-CG 4.29Å; E417-L428 HydrophobicContact CB-CD2 3.68Å; E417-L428 HydrophobicContact CG-CD2 3.5Å; L420-L428 HydrophobicContact CD1-CD2 4.33Å; P424-L428 PolarHBondContact O-N 2.94Å; L425-L428 WeakPolarHBondContact O-CB 3.22Å; L425-L428 PolarHBondContact O-N 3.13Å; L426-L428 VanDerWaalsContact C-N 3.3Å; L426-L428 PolarHBondContact O-N 2.91Å; L428-R431 PolarHBondContact O-N 2.88Å; L428-R432 PolarHBondContact O-N 3.29Å
429	I	90.7	Very high	88.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-48.1	177.8	-69.3	164.2	0	0	0	109.9	I390 T394 L402 I411 L413 L425 L426 R432 F433	I390-I429 HydrophobicContact CG2-CG2 4.19Å; T394-I429 HydrophobicContact CG2-CD1 3.53Å; L402-I429 HydrophobicContact CD1-CD1 3.82Å; I411-I429 HydrophobicContact CD1-CG2 4.06Å; L413-I429 HydrophobicContact CD1-CD1 4.44Å; L413-I429 HydrophobicContact CD1-CG1 4.17Å; L413-I429 HydrophobicContact CD2-CG1 4.47Å; L425-I429 HydrophobicContact CD1-CD1 4.07Å; L425-I429 HydrophobicContact CD1-CG1 4.38Å; L425-I429 HydrophobicContact CG-CD1 3.91Å; L425-I429 VanDerWaalsContact O-CG1 3.31Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 3.38Å; L426-I429 PolarHBondContact O-N 3.48Å; I429-R432 PolarHBondContact O-N 3.08Å; I429-F433 VanDerWaalsContact O-CB 3.32Å; I429-F433 WeakPolarHBondContact O-CB 3.48Å; I429-F433 PolarHBondContact O-N 3.21Å
430	F	90.9	Very high	88.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.9	-37.8	179.4	-79.8	-56.8	0	0	0	113.3	F325 L387 I390 F391 L426 R432 F433 F434	F325-F430 HydrophobicContact CB-CB 4.24Å; F325-F430 HydrophobicContact CD1-CB 3.84Å; F325-F430 AromaticContact CD1-CD1 3.78Å; F325-F430 HydrophobicContact CD1-CD1 3.78Å; F325-F430 AromaticContact CD1-CD2 3.82Å; F325-F430 HydrophobicContact CD1-CD2 3.82Å; F325-F430 HydrophobicContact CD1-CE1 4.26Å; F325-F430 HydrophobicContact CD1-CE2 4.28Å; F325-F430 AromaticContact CD1-CG 3.54Å; F325-F430 HydrophobicContact CD1-CG 3.54Å; F325-F430 HydrophobicContact CD1-CZ 4.49Å; F325-F430 HydrophobicContact CE1-CD1 4.12Å; F325-F430 AromaticContact CE1-CD2 3.9Å; F325-F430 HydrophobicContact CE1-CD2 3.9Å; F325-F430 HydrophobicContact CE1-CE1 4.14Å; F325-F430 AromaticContact CE1-CE2 3.9Å; F325-F430 HydrophobicContact CE1-CE2 3.9Å; F325-F430 HydrophobicContact CE1-CG 4Å; F325-F430 HydrophobicContact CE1-CZ 4.03Å; F325-F430 HydrophobicContact CG-CB 4.45Å; F325-F430 HydrophobicContact CG-CD1 4.32Å; F325-F430 HydrophobicContact CG-CG 4.36Å; L387-F430 HydrophobicContact CD2-CE1 3.78Å; L387-F430 HydrophobicContact CD2-CZ 4.3Å; I390-F430 HydrophobicContact CB-CE1 4.42Å; I390-F430 HydrophobicContact CB-CZ 4.21Å; I390-F430 HydrophobicContact CD1-CE1 4.17Å; I390-F430 HydrophobicContact CG2-CE1 3.89Å; I390-F430 HydrophobicContact CG2-CE2 4.23Å; I390-F430 HydrophobicContact CG2-CZ 3.63Å; F391-F430 HydrophobicContact CD1-CE2 4.24Å; F391-F430 HydrophobicContact CD2-CE2 4.26Å; F391-F430 AromaticContact CD2-CZ 3.91Å; F391-F430 HydrophobicContact CD2-CZ 3.91Å; F391-F430 AromaticContact CE1-CE2 3.68Å; F391-F430 HydrophobicContact CE1-CE2 3.68Å; F391-F430 HydrophobicContact CE1-CZ 4.29Å; F391-F430 AromaticContact CE2-CE2 3.67Å; F391-F430 HydrophobicContact CE2-CE2 3.67Å; F391-F430 AromaticContact CE2-CZ 3.47Å; F391-F430 HydrophobicContact CE2-CZ 3.47Å; F391-F430 VanDerWaalsContact CE2-CZ 3.47Å; F391-F430 HydrophobicContact CG-CZ 4.48Å; F391-F430 HydrophobicContact CZ-CD2 4.42Å; F391-F430 AromaticContact CZ-CE2 3.37Å; F391-F430 HydrophobicContact CZ-CE2 3.37Å; F391-F430 AromaticContact CZ-CZ 3.71Å; F391-F430 HydrophobicContact CZ-CZ 3.71Å; L426-F430 HydrophobicContact CD2-CD2 4.25Å; L426-F430 HydrophobicContact CD2-CE2 3.77Å; L426-F430 WeakPolarHBondContact O-CB 3.08Å; L426-F430 VanDerWaalsContact O-CD2 3.25Å; L426-F430 WeakPolarHBondContact O-CD2 3.26Å; L426-F430 PolarHBondContact O-N 3.05Å; F430-R432 VanDerWaalsContact C-N 3.29Å; F430-R432 PolarHBondContact O-N 2.86Å; F430-F433 PolarHBondContact O-N 3.13Å; F430-F434 HydrophobicContact CB-CD2 4.46Å; F430-F434 AromaticContact CD1-CD2 3.84Å; F430-F434 HydrophobicContact CD1-CD2 3.84Å; F430-F434 AromaticContact CD1-CE2 3.55Å; F430-F434 HydrophobicContact CD1-CE2 3.55Å; F430-F434 AromaticContact CE1-CE2 3.97Å; F430-F434 HydrophobicContact CE1-CE2 3.97Å; F430-F434 PolarHBondContact O-N 2.9Å
431	R	87	Confident	88.9	Confident	90 Å²	90	40 Å²	40	34%	0.34	19%	0.193	S	C	.	.	H	α-helix	trans	-58.2	-41.4	172.2	-174.5	-179.9	-179.4	-178.3	4	111.3	E161 R427 L428 G435	E161-R431 IonicContact OE1-NH1 3.69Å; E161-R431 PolarHBondContact OE1-NH1 2.99Å; E161-R431 VanDerWaalsContact OE1-NH1 3.17Å; R427-R431 VanDerWaalsContact O-CB 3.26Å; R427-R431 WeakPolarHBondContact O-CB 3.31Å; R427-R431 PolarHBondContact O-N 3.03Å; L428-R431 PolarHBondContact O-N 2.88Å; R431-G435 WeakPolarHBondContact O-CA 3.23Å; R431-G435 PolarHBondContact O-N 3.37Å
432	R	88	Confident	89.2	Confident	100 Å²	100	35.2 Å²	35.2	38%	0.377	17%	0.167	S	C	.	.	H	α-helix	trans	-75.4	-34.5	177.1	-71	-173	175.7	154.4	13.4	113.4	I411 Y412 E417 L428 I429 F430	I411-R432 HydrophobicContact CG1-CB 4.39Å; I411-R432 HydrophobicContact CG2-CB 3.91Å; I411-R432 HydrophobicContact CG2-CG 4.48Å; Y412-R432 PolarHBondContact O-NH1 3.3Å; E417-R432 VanDerWaalsContact CD-NH2 3.31Å; E417-R432 IonicContact OE1-CZ 3.82Å; E417-R432 IonicContact OE1-NH1 3.63Å; E417-R432 IonicContact OE1-NH2 3.79Å; E417-R432 PolarHBondContact OE1-NH2 3.23Å; E417-R432 IonicContact OE2-CZ 3.73Å; E417-R432 IonicContact OE2-NH1 3.58Å; E417-R432 PolarHBondContact OE2-NH1 3.43Å; E417-R432 IonicContact OE2-NH2 3.65Å; E417-R432 PolarHBondContact OE2-NH2 3.36Å; L428-R432 PolarHBondContact O-N 3.29Å; I429-R432 PolarHBondContact O-N 3.08Å; F430-R432 VanDerWaalsContact C-N 3.29Å; F430-R432 PolarHBondContact O-N 2.86Å
433	F	89.7	Confident	89.5	Confident	32 Å²	32	31.8 Å²	31.8	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-72.1	-48.6	-178.6	-176.7	-114.8	0	0	0	112.6	I335 I390 L409 I411 I429 F430	I335-F433 HydrophobicContact CD1-CE1 4.49Å; I335-F433 HydrophobicContact CG2-CE2 4.04Å; I335-F433 HydrophobicContact CG2-CZ 3.9Å; I390-F433 HydrophobicContact CD1-CD1 4.44Å; I390-F433 HydrophobicContact CD1-CE1 4.39Å; L409-F433 HydrophobicContact CB-CD2 4.31Å; L409-F433 HydrophobicContact CD2-CD2 4.12Å; L409-F433 HydrophobicContact CD2-CE2 3.71Å; L409-F433 HydrophobicContact CD2-CZ 4.39Å; I411-F433 HydrophobicContact CD1-CB 3.84Å; I411-F433 HydrophobicContact CD1-CD2 4.32Å; I429-F433 VanDerWaalsContact O-CB 3.32Å; I429-F433 WeakPolarHBondContact O-CB 3.48Å; I429-F433 PolarHBondContact O-N 3.21Å; F430-F433 PolarHBondContact O-N 3.13Å
434	F	87.7	Confident	89.8	Confident	22 Å²	22	24.9 Å²	24.9	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-87.7	-26.7	-179.3	-73.3	-76.5	0	0	0	112.8	F325 F327 F332 I335 L387 F430 D436	F325-F434 HydrophobicContact CB-CB 4.31Å; F325-F434 HydrophobicContact CB-CD2 3.28Å; F325-F434 HydrophobicContact CB-CE2 3.68Å; F325-F434 HydrophobicContact CB-CG 3.91Å; F325-F434 HydrophobicContact CD1-CE2 4.35Å; F325-F434 HydrophobicContact CD2-CD2 4.26Å; F325-F434 AromaticContact CD2-CE2 3.76Å; F325-F434 HydrophobicContact CD2-CE2 3.76Å; F325-F434 HydrophobicContact CD2-CZ 4.16Å; F325-F434 HydrophobicContact CE2-CE2 4.47Å; F325-F434 AromaticContact CG-CD2 3.85Å; F325-F434 HydrophobicContact CG-CD2 3.85Å; F325-F434 AromaticContact CG-CE2 3.68Å; F325-F434 HydrophobicContact CG-CE2 3.68Å; F327-F434 HydrophobicContact CB-CD1 4.18Å; F327-F434 HydrophobicContact CB-CE1 3.78Å; F327-F434 AromaticContact CD1-CE1 3.76Å; F327-F434 HydrophobicContact CD1-CE1 3.76Å; F327-F434 AromaticContact CD1-CZ 3.75Å; F327-F434 HydrophobicContact CD1-CZ 3.75Å; F327-F434 HydrophobicContact CE1-CZ 4.32Å; F327-F434 HydrophobicContact CG-CE1 4.01Å; F327-F434 HydrophobicContact CG-CZ 4.44Å; F332-F434 AromaticContact CD2-CE1 3.81Å; F332-F434 HydrophobicContact CD2-CE1 3.81Å; F332-F434 HydrophobicContact CD2-CZ 4.23Å; F332-F434 AromaticContact CE2-CE1 3.89Å; F332-F434 HydrophobicContact CE2-CE1 3.89Å; F332-F434 AromaticContact CE2-CZ 3.88Å; F332-F434 HydrophobicContact CE2-CZ 3.88Å; I335-F434 HydrophobicContact CD1-CD1 3.52Å; I335-F434 HydrophobicContact CD1-CE1 3.86Å; I335-F434 HydrophobicContact CD1-CG 4.43Å; L387-F434 HydrophobicContact CD2-CE2 4.15Å; L387-F434 HydrophobicContact CD2-CZ 3.96Å; F430-F434 HydrophobicContact CB-CD2 4.46Å; F430-F434 AromaticContact CD1-CD2 3.84Å; F430-F434 HydrophobicContact CD1-CD2 3.84Å; F430-F434 AromaticContact CD1-CE2 3.55Å; F430-F434 HydrophobicContact CD1-CE2 3.55Å; F430-F434 AromaticContact CE1-CE2 3.97Å; F430-F434 HydrophobicContact CE1-CE2 3.97Å; F430-F434 PolarHBondContact O-N 2.9Å; F434-D436 PolarHBondContact O-N 2.92Å
435	G	82.4	Confident	90	Very high	30 Å²	30	23.9 Å²	23.9	31%	0.309	12%	0.118	S	C	.	.			trans	71.7	-103.4	-175.6	0	0	0	0	0	111.4	R431	R431-G435 WeakPolarHBondContact O-CA 3.23Å; R431-G435 PolarHBondContact O-N 3.37Å
436	D	84.8	Confident	90.2	Very high	82 Å²	82	28.4 Å²	28.4	44%	0.439	14%	0.139	S	C	.	.	S	Bend	trans	-105.4	164.7	-173.1	-63.8	-22.4	0	0	0	112.4	F434 S438	F434-D436 PolarHBondContact O-N 2.92Å; D436-S438 PolarHBondContact O-N 3.42Å
437	F	91.2	Very high	90.3	Very high	9 Å²	9	31.2 Å²	31.2	4%	0.039	15%	0.152	C	C	.	.			trans	-82.4	39	177.2	-75.9	22.9	0	0	0	112.1	F148 C151 L152 L155 C326 G439 F440 V441	F148-F437 HydrophobicContact CD2-CE2 4.46Å; F148-F437 HydrophobicContact CE2-CD2 4.25Å; F148-F437 HydrophobicContact CE2-CE2 4.09Å; F148-F437 HydrophobicContact CZ-CD2 4.12Å; F148-F437 HydrophobicContact CZ-CE2 4.39Å; C151-F437 HydrophobicContact CB-CD2 4.28Å; C151-F437 HydrophobicContact CB-CE1 4.5Å; C151-F437 HydrophobicContact CB-CE2 3.32Å; C151-F437 HydrophobicContact CB-CZ 3.46Å; C151-F437 VanDerWaalsContact CB-CZ 3.46Å; L152-F437 HydrophobicContact CD2-CB 4.05Å; L152-F437 HydrophobicContact CD2-CD2 3.76Å; L152-F437 HydrophobicContact CD2-CG 4.27Å; L155-F437 HydrophobicContact CD1-CB 3.9Å; L155-F437 HydrophobicContact CD1-CD1 3.64Å; L155-F437 HydrophobicContact CD1-CD2 4.36Å; L155-F437 HydrophobicContact CD1-CE1 4.24Å; L155-F437 HydrophobicContact CD1-CG 3.7Å; C326-F437 HydrophobicContact CB-CB 4.49Å; C326-F437 HydrophobicContact CB-CD1 4Å; C326-F437 HydrophobicContact CB-CD2 3.73Å; C326-F437 HydrophobicContact CB-CE1 4.13Å; C326-F437 HydrophobicContact CB-CE2 3.83Å; C326-F437 HydrophobicContact CB-CG 3.81Å; C326-F437 HydrophobicContact CB-CZ 4.04Å; F437-G439 PolarHBondContact O-N 3.45Å; F437-F440 WeakPolarHBondContact O-CB 3.45Å; F437-F440 PolarHBondContact O-N 2.89Å; F437-F440 VanDerWaalsContact O-N 3.09Å; F437-V441 PolarHBondContact O-N 3.36Å
438	S	89.9	Confident	90.5	Very high	25 Å²	25	28.9 Å²	28.9	18%	0.175	14%	0.143	C	C	.	.	H	α-helix	trans	-60.7	-28.6	-176.5	62.9	0	0	0	0	113.3	D436 V441 N442	D436-S438 PolarHBondContact O-N 3.42Å; S438-V441 PolarHBondContact O-N 3.17Å; S438-N442 PolarHBondContact O-N 3.12Å
439	G	90.9	Very high	90.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-44.9	172.7	0	0	0	0	0	113.5	M196 T328 F437 N442 M443	M196-G439 VanDerWaalsContact CE-CA 3.49Å; T328-G439 WeakPolarHBondContact CG2-O 3.42Å; F437-G439 PolarHBondContact O-N 3.45Å; G439-N442 PolarHBondContact O-N 3.36Å; G439-M443 WeakPolarHBondContact O-CB 3.39Å; G439-M443 PolarHBondContact O-N 3.07Å
440	F	94.2	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-41.7	175.7	169.2	-103	0	0	0	111.4	L137 F148 L152 L193 F203 I205 C229 F437 M443 C444	L137-F440 HydrophobicContact CD2-CZ 4.33Å; F148-F440 HydrophobicContact CE1-CD1 4.18Å; F148-F440 AromaticContact CE1-CD2 3.96Å; F148-F440 HydrophobicContact CE1-CD2 3.96Å; F148-F440 HydrophobicContact CE1-CE1 4.15Å; F148-F440 AromaticContact CE1-CE2 3.94Å; F148-F440 HydrophobicContact CE1-CE2 3.94Å; F148-F440 HydrophobicContact CE1-CG 4.09Å; F148-F440 HydrophobicContact CE1-CZ 4.03Å; F148-F440 HydrophobicContact CZ-CB 4.22Å; F148-F440 HydrophobicContact CZ-CD1 4.3Å; F148-F440 AromaticContact CZ-CD2 3.73Å; F148-F440 HydrophobicContact CZ-CD2 3.73Å; F148-F440 HydrophobicContact CZ-CE2 4.17Å; F148-F440 AromaticContact CZ-CG 3.81Å; F148-F440 HydrophobicContact CZ-CG 3.81Å; L152-F440 HydrophobicContact CD1-CE1 4.17Å; L152-F440 HydrophobicContact CD2-CD1 4.44Å; L193-F440 HydrophobicContact CD1-CE1 4.47Å; F203-F440 HydrophobicContact CD1-CE1 4.4Å; F203-F440 HydrophobicContact CE1-CE1 4.18Å; I205-F440 HydrophobicContact CD1-CE1 4.49Å; C229-F440 HydrophobicContact CB-CE2 4.32Å; F437-F440 WeakPolarHBondContact O-CB 3.45Å; F437-F440 PolarHBondContact O-N 2.89Å; F437-F440 VanDerWaalsContact O-N 3.09Å; F440-M443 HydrophobicContact CD2-CE 3.63Å; F440-M443 HydrophobicContact CE2-CE 3.95Å; F440-M443 PolarHBondContact O-N 3.06Å; F440-C444 WeakPolarHBondContact CE2-SG 3.19Å; F440-C444 VanDerWaalsContact CZ-SG 3.58Å; F440-C444 WeakPolarHBondContact O-CB 3.36Å; F440-C444 PolarHBondContact O-N 2.98Å; F440-C444 PolarHBondContact O-SG 3.2Å; F440-C444 VanDerWaalsContact O-SG 3.41Å
441	V	94.1	Very high	91	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-43.8	178.5	-179.7	0	0	0	0	111.1	L193 Y201 F203 F437 S438 C444 A445	L193-V441 HydrophobicContact CB-CG1 4.47Å; L193-V441 HydrophobicContact CB-CG2 3.58Å; L193-V441 HydrophobicContact CD1-CG2 4.04Å; L193-V441 HydrophobicContact CG-CG2 4.43Å; Y201-V441 HydrophobicContact CD2-CG1 4.22Å; F203-V441 HydrophobicContact CE2-CG1 3.77Å; F203-V441 HydrophobicContact CZ-CB 4.5Å; F203-V441 HydrophobicContact CZ-CG1 4.07Å; F437-V441 PolarHBondContact O-N 3.36Å; S438-V441 PolarHBondContact O-N 3.17Å; V441-C444 PolarHBondContact O-N 2.88Å; V441-A445 VanDerWaalsContact O-CB 3.25Å; V441-A445 WeakPolarHBondContact O-CB 3.49Å; V441-A445 PolarHBondContact O-N 2.98Å
442	N	93.2	Very high	91.3	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-44.8	178	-157.7	54.1	0	0	0	111.8	M196 E330 S438 G439 C444 A445 E446	M196-N442 HydrophobicContact CE-CB 3.97Å; M196-N442 HydrophobicContact CG-CB 4.41Å; E330-N442 PolarHBondContact OE2-ND2 2.94Å; S438-N442 PolarHBondContact O-N 3.12Å; G439-N442 PolarHBondContact O-N 3.36Å; N442-C444 VanDerWaalsContact C-N 3.33Å; N442-C444 PolarHBondContact O-N 3.04Å; N442-A445 PolarHBondContact O-N 2.71Å; N442-E446 PolarHBondContact ND2-OE1 3.07Å; N442-E446 WeakPolarHBondContact O-CB 3.25Å; N442-E446 WeakPolarHBondContact O-CG 3.43Å; N442-E446 PolarHBondContact O-N 3.12Å
443	M	94.1	Very high	91.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-52.6	-50.8	174.6	172.8	-178.3	83.7	0	0	111.5	T257 G314 C317 T328 G439 F440 H447	T257-M443 HydrophobicContact CG2-CG 4.14Å; G314-M443 WeakPolarHBondContact O-CB 3.3Å; G314-M443 VanDerWaalsContact O-CG 3.23Å; G314-M443 WeakPolarHBondContact O-CG 3.47Å; C317-M443 HydrophobicContact CB-CE 4.4Å; C317-M443 HydrophobicContact CB-SD 3.89Å; T328-M443 HydrophobicContact CG2-CB 4.34Å; G439-M443 WeakPolarHBondContact O-CB 3.39Å; G439-M443 PolarHBondContact O-N 3.07Å; F440-M443 HydrophobicContact CD2-CE 3.63Å; F440-M443 HydrophobicContact CE2-CE 3.95Å; F440-M443 PolarHBondContact O-N 3.06Å; M443-H447 WeakPolarHBondContact O-CB 3.17Å; M443-H447 PolarHBondContact O-CD2 3.33Å; M443-H447 PolarHBondContact O-N 3.21Å
444	C	93.7	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-37.8	179.6	-70	0	0	0	0	112.3	F203 F440 V441 N442 E446 I448	F203-C444 HydrophobicContact CE1-CB 3.42Å; F203-C444 VanDerWaalsContact CE1-CB 3.42Å; F203-C444 HydrophobicContact CZ-CB 3.57Å; F440-C444 WeakPolarHBondContact CE2-SG 3.19Å; F440-C444 VanDerWaalsContact CZ-SG 3.58Å; F440-C444 WeakPolarHBondContact O-CB 3.36Å; F440-C444 PolarHBondContact O-N 2.98Å; F440-C444 PolarHBondContact O-SG 3.2Å; F440-C444 VanDerWaalsContact O-SG 3.41Å; V441-C444 PolarHBondContact O-N 2.88Å; N442-C444 VanDerWaalsContact C-N 3.33Å; N442-C444 PolarHBondContact O-N 3.04Å; C444-E446 VanDerWaalsContact C-N 3.32Å; C444-E446 PolarHBondContact O-N 3.3Å; C444-I448 HydrophobicContact CB-CD1 4.04Å; C444-I448 WeakPolarHBondContact O-CA 3.32Å; C444-I448 WeakPolarHBondContact O-CB 3.1Å; C444-I448 PolarHBondContact O-N 3.44Å
445	A	92.5	Very high	91.7	Very high	13 Å²	13	25.1 Å²	25.1	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-36.8	179	0	0	0	0	0	112.6	R133 Y201 V441 N442	R133-A445 PolarHBondContact NH2-O 3.19Å; Y201-A445 HydrophobicContact CE1-CB 4.42Å; Y201-A445 HydrophobicContact CE2-CB 4.24Å; V441-A445 VanDerWaalsContact O-CB 3.25Å; V441-A445 WeakPolarHBondContact O-CB 3.49Å; V441-A445 PolarHBondContact O-N 2.98Å; N442-A445 PolarHBondContact O-N 2.71Å
446	E	91.9	Very high	92.1	Very high	96 Å²	96	26 Å²	26	45%	0.449	15%	0.15	S	C	.	.	H	α-helix	trans	-82.7	-43.4	-179	-69.2	-175.7	174.5	0	0	113.2	N442 C444	N442-E446 PolarHBondContact ND2-OE1 3.07Å; N442-E446 WeakPolarHBondContact O-CB 3.25Å; N442-E446 WeakPolarHBondContact O-CG 3.43Å; N442-E446 PolarHBondContact O-N 3.12Å; C444-E446 VanDerWaalsContact C-N 3.32Å; C444-E446 PolarHBondContact O-N 3.3Å
447	H	92.5	Very high	92.3	Very high	59 Å²	59	25.5 Å²	25.5	27%	0.273	15%	0.15	S	C	.	.	H	α-helix	trans	-100.2	-22.6	-171.3	-66.7	-78.6	0	0	0	114.6	T257 L313 N315 M443	T257-H447 HydrophobicContact CG2-CB 3.82Å; L313-H447 PolarHBondContact O-CE1 3.15Å; L313-H447 PolarHBondContact O-NE2 3.15Å; N315-H447 HydrophobicContact CB-CB 4.35Å; N315-H447 PolarHBondContact N-NE2 3.25Å; M443-H447 WeakPolarHBondContact O-CB 3.17Å; M443-H447 PolarHBondContact O-CD2 3.33Å; M443-H447 PolarHBondContact O-N 3.21Å
448	I	93.1	Very high	92.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.149	C	C	.	.	S	Bend	trans	-96.4	120.9	175	-57.5	178.2	0	0	0	108.1	R133 V135 D226 T257 C444	R133-I448 VanDerWaalsContact CD-O 3.28Å; R133-I448 WeakPolarHBondContact CD-O 3.19Å; R133-I448 PolarHBondContact NE-O 3.04Å; V135-I448 HydrophobicContact CB-CD1 4.21Å; V135-I448 HydrophobicContact CG1-CD1 3.71Å; V135-I448 HydrophobicContact CG2-CD1 3.56Å; V135-I448 HydrophobicContact CG2-CG2 4.4Å; D226-I448 HydrophobicContact CB-CG2 4.4Å; T257-I448 HydrophobicContact CG2-CD1 4.39Å; T257-I448 HydrophobicContact CG2-CG1 4.08Å; C444-I448 HydrophobicContact CB-CD1 4.04Å; C444-I448 WeakPolarHBondContact O-CA 3.32Å; C444-I448 WeakPolarHBondContact O-CB 3.1Å; C444-I448 PolarHBondContact O-N 3.44Å
449	P	93.2	Very high	92.3	Very high	37 Å²	37	24.2 Å²	24.2	24%	0.24	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-65.1	148.4	-179.3	26.1	-33.5	0	0	0	111	D226 P255 N453	D226-P449 HydrophobicContact CB-CG 4.5Å; P255-P449 HydrophobicContact CG-CG 4.21Å; P449-N453 HydrophobicContact CB-CB 4.14Å
450	S	94.6	Very high	92.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.028	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-62.6	155.3	166.8	58.1	0	0	0	0	110.6	S452 N453 S454	S450-S452 PolarHBondContact O-N 3.46Å; S450-S452 VanDerWaalsContact O-N 3.11Å; S450-S452 PolarHBondContact OG-OG 3.27Å; S450-N453 PolarHBondContact O-N 2.91Å; S450-N453 PolarHBondContact OG-N 3.45Å; S450-N453 PolarHBondContact OG-ND2 3.15Å; S450-S454 WeakPolarHBondContact O-CB 3.41Å; S450-S454 PolarHBondContact O-N 2.94Å
451	P	93.1	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-47.5	-38.1	171	-32.6	34	0	0	0	114.3	P129 I132 A455	P129-P451 WeakPolarHBondContact O-CD 3.47Å; I132-P451 HydrophobicContact CB-CG 3.95Å; I132-P451 HydrophobicContact CG2-CG 3.85Å; I132-P451 WeakPolarHBondContact O-CD 3.41Å; P451-A455 VanDerWaalsContact O-CB 3.25Å; P451-A455 WeakPolarHBondContact O-CB 3.46Å; P451-A455 PolarHBondContact O-N 2.97Å
452	S	92.1	Very high	91.7	Very high	26 Å²	26	26.6 Å²	26.6	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-41.1	176.9	53.2	0	0	0	0	113.2	S450	S450-S452 PolarHBondContact O-N 3.46Å; S450-S452 VanDerWaalsContact O-N 3.11Å; S450-S452 PolarHBondContact OG-OG 3.27Å
453	N	92.2	Very high	91.6	Very high	115 Å²	115	26.4 Å²	26.4	62%	0.615	16%	0.161	S	C	*	.	H	α-helix	trans	-80.3	-36.5	-179.5	-68.3	-11.9	0	0	0	111.9	P449 S450	P449-N453 HydrophobicContact CB-CB 4.14Å; S450-N453 PolarHBondContact O-N 2.91Å; S450-N453 PolarHBondContact OG-N 3.45Å; S450-N453 PolarHBondContact OG-ND2 3.15Å
454	S	90.9	Very high	91.3	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-73.1	-26.9	179.6	-178	0	0	0	0	113.1	D226 S450 A456 T457 K458	D226-S454 WeakPolarHBondContact OD1-CB 3.36Å; D226-S454 PolarHBondContact OD1-OG 2.68Å; S450-S454 WeakPolarHBondContact O-CB 3.41Å; S450-S454 PolarHBondContact O-N 2.94Å; S454-A456 VanDerWaalsContact C-N 3.25Å; S454-A456 PolarHBondContact O-N 3.41Å; S454-A456 VanDerWaalsContact O-N 3.13Å; S454-T457 PolarHBondContact O-N 3.12Å; S454-K458 WeakPolarHBondContact O-CB 3.34Å; S454-K458 PolarHBondContact O-N 2.94Å
455	A	91.1	Very high	90.9	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-52	-40.1	-175.1	0	0	0	0	0	113.4	P451 V459 M475 I476 C478	P451-A455 VanDerWaalsContact O-CB 3.25Å; P451-A455 WeakPolarHBondContact O-CB 3.46Å; P451-A455 PolarHBondContact O-N 2.97Å; A455-V459 WeakPolarHBondContact O-CB 2.96Å; A455-V459 WeakPolarHBondContact O-CG2 3.46Å; A455-V459 PolarHBondContact O-N 2.87Å; A455-M475 WeakPolarHBondContact CB-O 3.48Å; A455-I476 WeakPolarHBondContact CB-O 3.5Å; A455-C478 HydrophobicContact CB-CB 4.26Å
456	A	90.5	Very high	90.6	Very high	50 Å²	50	32.4 Å²	32.4	41%	0.413	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-49.8	177.7	0	0	0	0	0	112.5	S454 G460 I476	S454-A456 VanDerWaalsContact C-N 3.25Å; S454-A456 PolarHBondContact O-N 3.41Å; S454-A456 VanDerWaalsContact O-N 3.13Å; A456-G460 PolarHBondContact O-N 2.89Å; A456-G460 VanDerWaalsContact O-N 3.13Å; A456-I476 HydrophobicContact CB-CG2 4Å
457	T	89.2	Confident	90.2	Very high	70 Å²	70	30.8 Å²	30.8	43%	0.429	19%	0.192	S	C	.	.	H	α-helix	trans	-68.7	-44.8	179.9	-56.2	0	0	0	0	111.3	R253 S454 G460 S461	R253-T457 HydrophobicContact CB-CG2 4.01Å; S454-T457 PolarHBondContact O-N 3.12Å; T457-G460 PolarHBondContact O-N 3.24Å; T457-S461 PolarHBondContact O-N 2.78Å; T457-S461 VanDerWaalsContact O-N 3.12Å; T457-S461 PolarHBondContact O-OG 3.5Å
458	K	90.8	Very high	89.7	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-52.1	-178.1	-179.4	70	74.6	172.5	0	111.5	F222 R223 A225 S454 G460 S461 T462	F222-K458 PolarHBondContact O-NZ 3.36Å; R223-K458 WeakPolarHBondContact O-CE 3.45Å; R223-K458 PolarHBondContact O-NZ 3.38Å; A225-K458 WeakPolarHBondContact O-CE 3.4Å; A225-K458 PolarHBondContact O-NZ 3.36Å; S454-K458 WeakPolarHBondContact O-CB 3.34Å; S454-K458 PolarHBondContact O-N 2.94Å; K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.87Å; K458-S461 PolarHBondContact O-N 3.1Å; K458-S461 VanDerWaalsContact O-N 3.17Å; K458-S461 PolarHBondContact O-OG 3.3Å; K458-S461 VanDerWaalsContact O-OG 3.04Å; K458-T462 HydrophobicContact CD-CG2 3.76Å; K458-T462 HydrophobicContact CG-CG2 4.37Å; K458-T462 WeakPolarHBondContact O-CB 3.38Å; K458-T462 WeakPolarHBondContact O-CG2 3.18Å; K458-T462 PolarHBondContact O-N 3.45Å; K458-T462 PolarHBondContact O-OG1 3.29Å
459	V	91.2	Very high	89.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-37.3	-179.8	178.6	0	0	0	0	110	A455 S461 Y463 L467 M475	A455-V459 WeakPolarHBondContact O-CB 2.96Å; A455-V459 WeakPolarHBondContact O-CG2 3.46Å; A455-V459 PolarHBondContact O-N 2.87Å; V459-S461 VanDerWaalsContact C-N 3.3Å; V459-S461 PolarHBondContact O-N 3.27Å; V459-Y463 HydrophobicContact CG1-CG 4.44Å; V459-Y463 WeakPolarHBondContact O-CB 3.38Å; V459-Y463 PolarHBondContact O-N 3.04Å; V459-L467 HydrophobicContact CG1-CD2 3.7Å; V459-M475 HydrophobicContact CG1-CB 4.03Å; V459-M475 HydrophobicContact CG1-CE 4.02Å; V459-M475 HydrophobicContact CG1-SD 4.43Å; V459-M475 HydrophobicContact CG2-CB 3.88Å
460	G	88.3	Confident	89	Confident	31 Å²	31	40.8 Å²	40.8	32%	0.32	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-28.2	175.9	0	0	0	0	0	114.8	A456 T457 K458	A456-G460 PolarHBondContact O-N 2.89Å; A456-G460 VanDerWaalsContact O-N 3.13Å; T457-G460 PolarHBondContact O-N 3.24Å; K458-G460 VanDerWaalsContact C-N 3.27Å; K458-G460 PolarHBondContact O-N 2.87Å
461	S	86.1	Confident	88.7	Confident	18 Å²	18	41.5 Å²	41.5	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-91.6	-33.6	177.6	65.9	0	0	0	0	113.6	T457 K458 V459 R588	T457-S461 PolarHBondContact O-N 2.78Å; T457-S461 VanDerWaalsContact O-N 3.12Å; T457-S461 PolarHBondContact O-OG 3.5Å; K458-S461 PolarHBondContact O-N 3.1Å; K458-S461 VanDerWaalsContact O-N 3.17Å; K458-S461 PolarHBondContact O-OG 3.3Å; K458-S461 VanDerWaalsContact O-OG 3.04Å; V459-S461 VanDerWaalsContact C-N 3.3Å; V459-S461 PolarHBondContact O-N 3.27Å; S461-R588 WeakPolarHBondContact O-CD 3.36Å; S461-R588 PolarHBondContact O-NH1 3.23Å
462	T	91.1	Very high	88.4	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-99.8	-31	-170.4	65.3	0	0	0	0	113.9	K458 F587 R588	K458-T462 HydrophobicContact CD-CG2 3.76Å; K458-T462 HydrophobicContact CG-CG2 4.37Å; K458-T462 WeakPolarHBondContact O-CB 3.38Å; K458-T462 WeakPolarHBondContact O-CG2 3.18Å; K458-T462 PolarHBondContact O-N 3.45Å; K458-T462 PolarHBondContact O-OG1 3.29Å; T462-F587 CarbonylContact O-C 3.57Å; T462-F587 WeakPolarHBondContact O-CA 3.02Å; T462-R588 WeakPolarHBondContact O-CB 3.4Å; T462-R588 WeakPolarHBondContact O-CG 3.46Å; T462-R588 PolarHBondContact O-N 3.12Å
463	Y	91.7	Very high	88.3	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.035	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-78.4	135.4	-176.4	-166.3	-120.3	0	0	0	110.9	V459 G465 L467 M475 M486 Y585 F587	V459-Y463 HydrophobicContact CG1-CG 4.44Å; V459-Y463 WeakPolarHBondContact O-CB 3.38Å; V459-Y463 PolarHBondContact O-N 3.04Å; Y463-G465 WeakPolarHBondContact CD1-O 3.34Å; Y463-G465 VanDerWaalsContact CE1-CA 3.44Å; Y463-L467 HydrophobicContact CD1-CD2 4.35Å; Y463-M475 HydrophobicContact CD1-CE 3.84Å; Y463-M475 HydrophobicContact CD2-CE 3.96Å; Y463-M475 HydrophobicContact CD2-SD 4.46Å; Y463-M475 HydrophobicContact CE1-CE 3.7Å; Y463-M475 HydrophobicContact CE2-CE 3.82Å; Y463-M475 HydrophobicContact CE2-SD 4.43Å; Y463-M475 HydrophobicContact CG-CE 3.97Å; Y463-M486 HydrophobicContact CE2-CE 4.12Å; Y463-Y585 VanDerWaalsContact CE2-O 3.28Å; Y463-Y585 WeakPolarHBondContact CE2-O 3.42Å; Y463-Y585 PolarHBondContact OH-N 2.77Å; Y463-F587 AromaticContact CD2-CD1 3.92Å; Y463-F587 HydrophobicContact CD2-CD1 3.92Å; Y463-F587 AromaticContact CD2-CE1 3.65Å; Y463-F587 HydrophobicContact CD2-CE1 3.65Å; Y463-F587 HydrophobicContact CD2-CZ 4.05Å; Y463-F587 HydrophobicContact CG-CE1 4.3Å
464	T	88	Confident	88.2	Confident	62 Å²	62	41.6 Å²	41.6	38%	0.38	24%	0.239	S	C	.	.			trans	-83	-26.1	178.4	58.9	0	0	0	0	112.9	Y585 I586 R588	T464-Y585 WeakPolarHBondContact OG1-CB 3.48Å; T464-I586 WeakPolarHBondContact CB-O 3.45Å; T464-I586 HydrophobicContact CG2-CG1 4.28Å; T464-I586 WeakPolarHBondContact CG2-O 3.41Å; T464-I586 PolarHBondContact N-O 2.94Å; T464-I586 VanDerWaalsContact N-O 3.16Å; T464-I586 PolarHBondContact OG1-O 2.9Å; T464-R588 HydrophobicContact CG2-CB 4.42Å; T464-R588 HydrophobicContact CG2-CG 3.5Å; T464-R588 VanDerWaalsContact CG2-CG 3.5Å
465	G	84.7	Confident	88.3	Confident	10 Å²	10	41.1 Å²	41.1	10%	0.103	24%	0.236	C	C	.	.	S	Bend	trans	-79.3	171	-176.3	0	0	0	0	0	114.6	Y463 Y585	Y463-G465 WeakPolarHBondContact CD1-O 3.34Å; Y463-G465 VanDerWaalsContact CE1-CA 3.44Å; G465-Y585 VanDerWaalsContact CA-CG 3.41Å
466	T	85.3	Confident	88.3	Confident	69 Å²	69	43.5 Å²	43.5	42%	0.423	25%	0.247	S	C	.	.			trans	-69.5	132.2	175.8	52.2	0	0	0	0	111.6	D468 N469	T466-D468 VanDerWaalsContact C-N 3.27Å; T466-D468 PolarHBondContact O-N 3Å; T466-N469 PolarHBondContact OG1-ND2 2.86Å
467	L	84.5	Confident	88.3	Confident	62 Å²	62	49 Å²	49	33%	0.325	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.9	-179.8	-60	176.7	0	0	0	113.7	V459 Y463 N469 I476	V459-L467 HydrophobicContact CG1-CD2 3.7Å; Y463-L467 HydrophobicContact CD1-CD2 4.35Å; L467-N469 VanDerWaalsContact C-N 3.25Å; L467-N469 PolarHBondContact O-N 3.46Å; L467-I476 HydrophobicContact CB-CD1 4.21Å; L467-I476 HydrophobicContact CD2-CD1 4.44Å
468	D	83.1	Confident	88.3	Confident	123 Å²	123	46 Å²	46	66%	0.658	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.6	-176.9	-65.2	-38.2	0	0	0	113.6	T466 R473	T466-D468 VanDerWaalsContact C-N 3.27Å; T466-D468 PolarHBondContact O-N 3Å; D468-R473 PolarHBondContact O-NE 2.9Å; D468-R473 PolarHBondContact O-NH2 3Å
469	N	85.1	Confident	88.3	Confident	75 Å²	75	48.6 Å²	48.6	40%	0.401	26%	0.258	S	S	.	.	S	Bend	trans	-67.7	156.6	-179.2	-68.6	-9	0	0	0	111.5	T466 L467 L471 G472 R473	T466-N469 PolarHBondContact OG1-ND2 2.86Å; L467-N469 VanDerWaalsContact C-N 3.25Å; L467-N469 PolarHBondContact O-N 3.46Å; N469-L471 PolarHBondContact O-N 3.32Å; N469-G472 WeakPolarHBondContact O-CA 3.49Å; N469-G472 PolarHBondContact O-N 2.93Å; N469-R473 PolarHBondContact O-N 3.38Å
470	N	86.4	Confident	88.2	Confident	110 Å²	110	51 Å²	51	59%	0.588	27%	0.27	S	S	*	.	H	α-helix	trans	-54.8	-40	177.7	-68.4	-18.7	0	0	0	112.1	R473 A474	N470-R473 PolarHBondContact O-N 2.79Å; N470-A474 WeakPolarHBondContact O-CB 3.36Å; N470-A474 PolarHBondContact O-N 3Å
471	L	87.8	Confident	88.2	Confident	18 Å²	18	56.1 Å²	56.1	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174.3	-168	77	0	0	0	112	N469 R473 A474 M475 Y482 H484 M486 A584	N469-L471 PolarHBondContact O-N 3.32Å; L471-R473 PolarHBondContact O-N 2.82Å; L471-A474 PolarHBondContact O-N 3.44Å; L471-M475 HydrophobicContact CD2-CE 4.47Å; L471-M475 HydrophobicContact CG-CE 4.26Å; L471-M475 WeakPolarHBondContact O-CG 3.39Å; L471-M475 PolarHBondContact O-N 2.97Å; L471-Y482 HydrophobicContact CD1-CE1 3.97Å; L471-H484 HydrophobicContact CD1-CB 4.24Å; L471-M486 HydrophobicContact CD1-CG 3.74Å; L471-M486 HydrophobicContact CD1-SD 4.23Å; L471-M486 HydrophobicContact CD2-CE 4.2Å; L471-M486 HydrophobicContact CD2-CG 4.21Å; L471-M486 HydrophobicContact CD2-SD 3.93Å; L471-M486 HydrophobicContact CG-CG 4.16Å; L471-M486 HydrophobicContact CG-SD 4.49Å; L471-A584 HydrophobicContact CD2-CB 4.15Å
472	G	87	Confident	88.2	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-47.2	176.7	0	0	0	0	0	112.1	N469 A474 M475 I476	N469-G472 WeakPolarHBondContact O-CA 3.49Å; N469-G472 PolarHBondContact O-N 2.93Å; G472-A474 VanDerWaalsContact C-N 3.35Å; G472-A474 PolarHBondContact O-N 3.26Å; G472-M475 PolarHBondContact O-N 3.23Å; G472-I476 VanDerWaalsContact O-CG1 3.28Å; G472-I476 WeakPolarHBondContact O-CG1 3.3Å; G472-I476 PolarHBondContact O-N 2.91Å
473	R	89.7	Confident	88	Confident	136 Å²	136	65.7 Å²	65.7	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-37.1	175.8	-63.6	-178.8	-167.5	149.5	3	112.8	D468 N469 N470 L471 K477	D468-R473 PolarHBondContact O-NE 2.9Å; D468-R473 PolarHBondContact O-NH2 3Å; N469-R473 PolarHBondContact O-N 3.38Å; N470-R473 PolarHBondContact O-N 2.79Å; L471-R473 PolarHBondContact O-N 2.82Å; R473-K477 WeakPolarHBondContact O-CG 3.49Å; R473-K477 PolarHBondContact O-N 2.69Å; R473-K477 VanDerWaalsContact O-N 3.11Å
474	A	90.5	Very high	88	Confident	7 Å²	7	66.9 Å²	66.9	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-67.3	-40.8	177.8	0	0	0	0	0	111.6	N470 L471 G472 K477 C478 N479 Y482 C509	N470-A474 WeakPolarHBondContact O-CB 3.36Å; N470-A474 PolarHBondContact O-N 3Å; L471-A474 PolarHBondContact O-N 3.44Å; G472-A474 VanDerWaalsContact C-N 3.35Å; G472-A474 PolarHBondContact O-N 3.26Å; A474-K477 PolarHBondContact O-N 3.4Å; A474-C478 PolarHBondContact O-N 3.15Å; A474-C478 VanDerWaalsContact O-N 3.14Å; A474-N479 PolarHBondContact O-N 3.48Å; A474-N479 VanDerWaalsContact O-N 3.1Å; A474-Y482 HydrophobicContact CB-CD1 3.88Å; A474-Y482 HydrophobicContact CB-CD2 3.82Å; A474-Y482 HydrophobicContact CB-CE1 4.13Å; A474-Y482 HydrophobicContact CB-CE2 4.05Å; A474-Y482 HydrophobicContact CB-CG 3.74Å; A474-C509 VanDerWaalsContact CB-SG 3.58Å
475	M	91.3	Very high	88.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-44.7	173.3	-70.7	-173.3	-66.3	0	0	112	A455 V459 Y463 L471 G472 K477 C478 M486 C509 F587	A455-M475 WeakPolarHBondContact CB-O 3.48Å; V459-M475 HydrophobicContact CG1-CB 4.03Å; V459-M475 HydrophobicContact CG1-CE 4.02Å; V459-M475 HydrophobicContact CG1-SD 4.43Å; V459-M475 HydrophobicContact CG2-CB 3.88Å; Y463-M475 HydrophobicContact CD1-CE 3.84Å; Y463-M475 HydrophobicContact CD2-CE 3.96Å; Y463-M475 HydrophobicContact CD2-SD 4.46Å; Y463-M475 HydrophobicContact CE1-CE 3.7Å; Y463-M475 HydrophobicContact CE2-CE 3.82Å; Y463-M475 HydrophobicContact CE2-SD 4.43Å; Y463-M475 HydrophobicContact CG-CE 3.97Å; L471-M475 HydrophobicContact CD2-CE 4.47Å; L471-M475 HydrophobicContact CG-CE 4.26Å; L471-M475 WeakPolarHBondContact O-CG 3.39Å; L471-M475 PolarHBondContact O-N 2.97Å; G472-M475 PolarHBondContact O-N 3.23Å; M475-K477 VanDerWaalsContact C-N 3.25Å; M475-K477 PolarHBondContact O-N 3.21Å; M475-C478 PolarHBondContact O-N 3.1Å; M475-M486 HydrophobicContact CG-CB 4.44Å; M475-M486 HydrophobicContact CG-CG 4.42Å; M475-M486 HydrophobicContact SD-CB 4.16Å; M475-M486 HydrophobicContact SD-CE 4.36Å; M475-M486 HydrophobicContact SD-CG 4.09Å; M475-C509 HydrophobicContact CG-CB 3.84Å; M475-F587 HydrophobicContact SD-CE1 4.41Å; M475-F587 HydrophobicContact SD-CZ 3.92Å
476	I	91.8	Very high	88.7	Confident	52 Å²	52	63.7 Å²	63.7	27%	0.267	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-37.5	177.6	-70.5	165.6	0	0	0	111.5	A455 A456 L467 G472 C478	A455-I476 WeakPolarHBondContact CB-O 3.5Å; A456-I476 HydrophobicContact CB-CG2 4Å; L467-I476 HydrophobicContact CB-CD1 4.21Å; L467-I476 HydrophobicContact CD2-CD1 4.44Å; G472-I476 VanDerWaalsContact O-CG1 3.28Å; G472-I476 WeakPolarHBondContact O-CG1 3.3Å; G472-I476 PolarHBondContact O-N 2.91Å; I476-C478 VanDerWaalsContact C-N 3.29Å
477	K	90.6	Very high	89.1	Confident	166 Å²	166	60.4 Å²	60.4	72%	0.722	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.1	177.2	-71	-175.9	178.2	-175.1	0	113.8	R473 A474 M475 N479	R473-K477 WeakPolarHBondContact O-CG 3.49Å; R473-K477 PolarHBondContact O-N 2.69Å; R473-K477 VanDerWaalsContact O-N 3.11Å; A474-K477 PolarHBondContact O-N 3.4Å; M475-K477 VanDerWaalsContact C-N 3.25Å; M475-K477 PolarHBondContact O-N 3.21Å; K477-N479 VanDerWaalsContact C-N 3.25Å; K477-N479 PolarHBondContact O-N 2.88Å
478	C	90	Very high	89.7	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.047	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	47.8	-172	-160.4	0	0	0	0	111.5	A455 A474 M475 I476 M480	A455-C478 HydrophobicContact CB-CB 4.26Å; A474-C478 PolarHBondContact O-N 3.15Å; A474-C478 VanDerWaalsContact O-N 3.14Å; M475-C478 PolarHBondContact O-N 3.1Å; I476-C478 VanDerWaalsContact C-N 3.29Å; C478-M480 PolarHBondContact O-N 3.15Å
479	N	89.8	Confident	90.3	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	25%	0.249	S	C	.	.			trans	-75.9	113.3	-172.7	-174.6	4.8	0	0	0	111.3	A474 K477 N481 G510	A474-N479 PolarHBondContact O-N 3.48Å; A474-N479 VanDerWaalsContact O-N 3.1Å; K477-N479 VanDerWaalsContact C-N 3.25Å; K477-N479 PolarHBondContact O-N 2.88Å; N479-N481 PolarHBondContact OD1-N 3.42Å; N479-G510 PolarHBondContact O-N 3.43Å
480	M	89	Confident	90.7	Very high	51 Å²	51	48.4 Å²	48.4	25%	0.251	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.2	177.7	62.4	-175.5	64.1	0	0	114.3	D127 P129 C478 G510 T511	D127-M480 WeakPolarHBondContact O-CE 3.45Å; P129-M480 HydrophobicContact CG-CE 3.98Å; C478-M480 PolarHBondContact O-N 3.15Å; M480-G510 CarbonylContact O-C 3.51Å; M480-G510 VanDerWaalsContact O-C 3.28Å; M480-G510 WeakPolarHBondContact O-CA 3.2Å; M480-T511 PolarHBondContact O-N 3.48Å; M480-T511 PolarHBondContact O-OG1 2.96Å
481	N	87.9	Confident	91	Very high	139 Å²	139	43.3 Å²	43.3	74%	0.743	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	13.6	-172.9	-67.2	-28.7	0	0	0	112.8	N479	N479-N481 PolarHBondContact OD1-N 3.42Å
482	Y	87.6	Confident	91.4	Very high	62 Å²	62	42.5 Å²	42.5	24%	0.243	20%	0.199	C	C	.	.			trans	-74.4	145.3	176.4	-167.8	-111.1	0	0	0	110.6	L471 A474 H484	L471-Y482 HydrophobicContact CD1-CE1 3.97Å; A474-Y482 HydrophobicContact CB-CD1 3.88Å; A474-Y482 HydrophobicContact CB-CD2 3.82Å; A474-Y482 HydrophobicContact CB-CE1 4.13Å; A474-Y482 HydrophobicContact CB-CE2 4.05Å; A474-Y482 HydrophobicContact CB-CG 3.74Å; Y482-H484 VanDerWaalsContact C-N 3.29Å; Y482-H484 HydrophobicContact CD1-CB 4.1Å; Y482-H484 WeakPolarHBondContact CD1-O 3.31Å; Y482-H484 HydrophobicContact CE1-CB 3.86Å; Y482-H484 AromaticContact CE1-CD2 3.97Å; Y482-H484 PolarHBondContact O-N 2.97Å
483	E	86.8	Confident	91.7	Very high	159 Å²	159	43.5 Å²	43.5	74%	0.743	20%	0.203	S	C	*	.	S	Bend	trans	-62.1	-34.7	-174.9	-175.5	180	171.6	0	0	113.1
484	H	90.3	Very high	91.8	Very high	35 Å²	35	38 Å²	38	16%	0.162	18%	0.184	C	C	.	.	S	Bend	trans	-103.3	134.4	179.8	-53.6	-41.5	0	0	0	112	L471 Y482 S578 A581	L471-H484 HydrophobicContact CD1-CB 4.24Å; Y482-H484 VanDerWaalsContact C-N 3.29Å; Y482-H484 HydrophobicContact CD1-CB 4.1Å; Y482-H484 WeakPolarHBondContact CD1-O 3.31Å; Y482-H484 HydrophobicContact CE1-CB 3.86Å; Y482-H484 AromaticContact CE1-CD2 3.97Å; Y482-H484 PolarHBondContact O-N 2.97Å; H484-S578 WeakPolarHBondContact CA-OG 3.46Å; H484-A581 HydrophobicContact CB-CB 4.3Å
485	V	93.2	Very high	91.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.03	19%	0.192	C	C	.	.			trans	-88.6	139.6	175.8	-175.3	0	0	0	0	109	V487 V507 C509 T511 L512 T577 S578	V485-V487 HydrophobicContact CG1-CG2 3.79Å; V485-V507 HydrophobicContact CG1-CG1 4.25Å; V485-C509 CarbonylContact C-O 3.52Å; V485-C509 VanDerWaalsContact CA-O 3.32Å; V485-C509 WeakPolarHBondContact CA-O 3.45Å; V485-T511 WeakPolarHBondContact CG2-O 3.15Å; V485-L512 HydrophobicContact CG1-CB 4.3Å; V485-L512 HydrophobicContact CG1-CD1 4.26Å; V485-T577 VanDerWaalsContact O-CA 3.26Å; V485-T577 WeakPolarHBondContact O-CA 3.23Å; V485-S578 PolarHBondContact N-OG 2.58Å; V485-S578 PolarHBondContact O-N 2.72Å
486	M	94.7	Very high	91.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.9	169	-70.1	-66.3	-68.2	0	0	109.2	Y463 L471 M475 L508 C509 T575 I576 T577 A584 F587	Y463-M486 HydrophobicContact CE2-CE 4.12Å; L471-M486 HydrophobicContact CD1-CG 3.74Å; L471-M486 HydrophobicContact CD1-SD 4.23Å; L471-M486 HydrophobicContact CD2-CE 4.2Å; L471-M486 HydrophobicContact CD2-CG 4.21Å; L471-M486 HydrophobicContact CD2-SD 3.93Å; L471-M486 HydrophobicContact CG-CG 4.16Å; L471-M486 HydrophobicContact CG-SD 4.49Å; M475-M486 HydrophobicContact CG-CB 4.44Å; M475-M486 HydrophobicContact CG-CG 4.42Å; M475-M486 HydrophobicContact SD-CB 4.16Å; M475-M486 HydrophobicContact SD-CE 4.36Å; M475-M486 HydrophobicContact SD-CG 4.09Å; M486-L508 PolarHBondContact O-N 2.94Å; M486-C509 HydrophobicContact CB-CB 4.27Å; M486-C509 PolarHBondContact N-O 3.41Å; M486-C509 PolarHBondContact O-N 3.38Å; M486-T575 HydrophobicContact CE-CG2 3.51Å; M486-I576 WeakPolarHBondContact CA-O 3.47Å; M486-T577 PolarHBondContact SD-OG1 3.3Å; M486-A584 HydrophobicContact SD-CB 4.43Å; M486-F587 HydrophobicContact CE-CE2 4.06Å; M486-F587 HydrophobicContact CE-CZ 4.32Å
487	V	95.1	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.8	176.2	-166.9	0	0	0	0	109.1	V485 T489 R506 V507 L512 I563 T575 I576	V485-V487 HydrophobicContact CG1-CG2 3.79Å; V487-T489 HydrophobicContact CG1-CG2 4.33Å; V487-R506 WeakPolarHBondContact CA-O 3.39Å; V487-R506 VanDerWaalsContact CG1-O 3.3Å; V487-R506 WeakPolarHBondContact CG1-O 3.29Å; V487-V507 HydrophobicContact CG1-CG2 4.45Å; V487-V507 HydrophobicContact CG2-CG1 4.5Å; V487-V507 HydrophobicContact CG2-CG2 4.13Å; V487-L512 HydrophobicContact CG2-CD2 4.47Å; V487-I563 HydrophobicContact CG1-CD1 4.28Å; V487-T575 WeakPolarHBondContact O-CA 3.48Å; V487-I576 HydrophobicContact CB-CB 4Å; V487-I576 HydrophobicContact CB-CD1 4.13Å; V487-I576 HydrophobicContact CB-CG1 4.44Å; V487-I576 HydrophobicContact CG1-CD1 4.32Å; V487-I576 HydrophobicContact CG2-CB 4.35Å; V487-I576 PolarHBondContact N-O 2.86Å; V487-I576 PolarHBondContact O-N 3.31Å
488	H	95.7	Very high	90.5	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.023	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123	170.8	-176.2	45.2	0	0	0	109.7	R223 L224 G505 R506 L508 F587	R223-H488 WeakPolarHBondContact CG-NE2 3.43Å; L224-H488 WeakPolarHBondContact CD2-O 3.46Å; H488-G505 CarbonylContact O-C 3.58Å; H488-G505 WeakPolarHBondContact O-CA 3.41Å; H488-R506 PolarHBondContact N-O 3.31Å; H488-R506 PolarHBondContact O-N 3.09Å; H488-L508 HydrophobicContact CB-CD1 4.07Å; H488-F587 HydrophobicContact CB-CD2 3.6Å; H488-F587 HydrophobicContact CB-CE2 3.83Å; H488-F587 HydrophobicContact CB-CG 4.09Å; H488-F587 VanDerWaalsContact CE1-CB 3.45Å; H488-F587 WeakPolarHBondContact CE1-CB 3.37Å; H488-F587 AromaticContact CG-CD2 3.72Å; H488-F587 AromaticContact CG-CG 3.82Å; H488-F587 VanDerWaalsContact ND1-CB 3.32Å; H488-F587 WeakPolarHBondContact ND1-CB 3.46Å; H488-F587 AromaticContact ND1-CD2 3.52Å; H488-F587 AromaticContact ND1-CG 3.59Å
489	T	95.3	Very high	90.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.3	179.7	65.6	0	0	0	0	110.3	V487 V503 F504 T573 A574 I576	V487-T489 HydrophobicContact CG1-CG2 4.33Å; T489-V503 HydrophobicContact CG2-CG1 3.43Å; T489-V503 VanDerWaalsContact CG2-CG1 3.43Å; T489-F504 WeakPolarHBondContact CA-O 3.19Å; T489-T573 WeakPolarHBondContact O-CA 3.34Å; T489-T573 WeakPolarHBondContact O-CB 3.19Å; T489-A574 PolarHBondContact N-O 3.21Å; T489-A574 PolarHBondContact O-N 3.22Å; T489-A574 WeakPolarHBondContact OG1-CB 3.28Å; T489-A574 PolarHBondContact OG1-N 2.73Å; T489-A574 VanDerWaalsContact OG1-N 3.14Å; T489-A574 PolarHBondContact OG1-O 3.25Å; T489-A574 VanDerWaalsContact OG1-O 3.12Å; T489-I576 HydrophobicContact CG2-CD1 3.5Å; T489-I576 VanDerWaalsContact CG2-CD1 3.5Å; T489-I576 HydrophobicContact CG2-CG1 4.05Å
490	T	93.9	Very high	90.4	Very high	3 Å²	3	44 Å²	44	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-19.5	-177.3	61.1	0	0	0	0	113.5	A220 R223 L224 F504 L590	A220-T490 PolarHBondContact O-OG1 3.06Å; A220-T490 VanDerWaalsContact O-OG1 3.13Å; R223-T490 HydrophobicContact CB-CG2 4.07Å; R223-T490 HydrophobicContact CG-CG2 3.9Å; L224-T490 HydrophobicContact CD1-CG2 4.44Å; L224-T490 WeakPolarHBondContact CD1-OG1 2.83Å; L224-T490 HydrophobicContact CD2-CG2 3.79Å; L224-T490 HydrophobicContact CG-CG2 3.9Å; L224-T490 WeakPolarHBondContact CG-OG1 3.43Å; T490-F504 PolarHBondContact N-O 3.23Å; T490-F504 VanDerWaalsContact N-O 3.17Å; T490-L590 HydrophobicContact CG2-CD2 4.11Å
491	K	94.2	Very high	90.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.1	-171.3	-165.8	63.9	177.4	175.6	0	111.6	E217 Y493 F504 S623 P625	E217-K491 WeakPolarHBondContact OE1-CE 3.48Å; E217-K491 IonicContact OE1-NZ 3.82Å; E217-K491 PolarHBondContact OE1-NZ 2.98Å; E217-K491 WeakPolarHBondContact OE2-CE 3.5Å; E217-K491 IonicContact OE2-NZ 2.96Å; E217-K491 PolarHBondContact OE2-NZ 3.29Å; K491-Y493 HydrophobicContact CB-CE2 4.26Å; K491-Y493 HydrophobicContact CG-CD2 4.43Å; K491-Y493 HydrophobicContact CG-CE1 4.2Å; K491-Y493 HydrophobicContact CG-CE2 3.79Å; K491-F504 HydrophobicContact CB-CB 4.23Å; K491-F504 WeakPolarHBondContact O-CA 3.36Å; K491-F504 WeakPolarHBondContact O-CB 3.13Å; K491-F504 PolarHBondContact O-N 3.25Å; K491-S623 PolarHBondContact NZ-O 2.73Å; K491-P625 HydrophobicContact CD-CG 4.21Å; K491-P625 VanDerWaalsContact NZ-CD 3.27Å
492	L	94.3	Very high	90.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.8	176	-67.5	92.1	0	0	0	108.5	F501 H502 V503 D567 I570 K572 K622	L492-F501 HydrophobicContact CB-CB 4.04Å; L492-F501 HydrophobicContact CB-CD1 3.82Å; L492-F501 HydrophobicContact CB-CG 4.22Å; L492-F501 HydrophobicContact CD2-CB 4.09Å; L492-H502 WeakPolarHBondContact CA-O 3.42Å; L492-V503 HydrophobicContact CD2-CG2 4.01Å; L492-V503 HydrophobicContact CG-CG2 4.28Å; L492-D567 HydrophobicContact CD2-CB 4.27Å; L492-I570 HydrophobicContact CD1-CG2 3.96Å; L492-I570 HydrophobicContact CD2-CB 4.33Å; L492-I570 HydrophobicContact CD2-CG2 4.19Å; L492-K572 WeakPolarHBondContact CD1-O 3.42Å; L492-K622 HydrophobicContact CD2-CB 4.22Å; L492-K622 HydrophobicContact CD2-CD 4.18Å; L492-K622 HydrophobicContact CD2-CG 4.36Å
493	Y	93.5	Very high	91.3	Very high	22 Å²	22	32.4 Å²	32.4	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.4	176.9	-66.8	-77.5	0	0	0	109.6	S186 P188 K491 F501 H502 F504 L562	S186-Y493 WeakPolarHBondContact O-CE1 3.44Å; S186-Y493 VanDerWaalsContact O-CZ 3.27Å; S186-Y493 PolarHBondContact O-OH 3.39Å; P188-Y493 WeakPolarHBondContact CD-OH 3.37Å; P188-Y493 HydrophobicContact CG-CE2 4.28Å; K491-Y493 HydrophobicContact CB-CE2 4.26Å; K491-Y493 HydrophobicContact CG-CD2 4.43Å; K491-Y493 HydrophobicContact CG-CE1 4.2Å; K491-Y493 HydrophobicContact CG-CE2 3.79Å; Y493-F501 CarbonylContact O-C 3.53Å; Y493-F501 VanDerWaalsContact O-CA 3.29Å; Y493-F501 WeakPolarHBondContact O-CA 3.29Å; Y493-H502 PolarHBondContact N-O 3.15Å; Y493-H502 PolarHBondContact O-N 2.9Å; Y493-F504 HydrophobicContact CD2-CB 3.85Å; Y493-F504 HydrophobicContact CD2-CG 4.41Å; Y493-F504 HydrophobicContact CE2-CB 3.6Å; Y493-F504 HydrophobicContact CE2-CD1 4.4Å; Y493-F504 HydrophobicContact CE2-CD2 4.19Å; Y493-F504 AromaticContact CE2-CG 3.8Å; Y493-F504 HydrophobicContact CE2-CG 3.8Å; Y493-L562 HydrophobicContact CD2-CD2 3.63Å; Y493-L562 HydrophobicContact CE2-CD2 4.3Å
494	P	91.7	Very high	91.7	Very high	19 Å²	19	25 Å²	25	12%	0.123	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	141.5	175.2	28.2	-33.6	0	0	0	110	F105 A498 F501 Y658	F105-P494 HydrophobicContact CE2-CG 4.07Å; F105-P494 HydrophobicContact CZ-CB 4.19Å; F105-P494 HydrophobicContact CZ-CG 4.05Å; P494-A498 HydrophobicContact CB-CB 4.4Å; P494-F501 HydrophobicContact CB-CD1 4.29Å; P494-F501 HydrophobicContact CB-CE1 4.04Å; P494-Y658 HydrophobicContact CB-CE1 4.31Å
495	D	88	Confident	91.9	Very high	41 Å²	41	23.3 Å²	23.3	22%	0.219	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-67.5	169.7	170.6	-170.9	32.1	0	0	0	111.5	F105 E497 A498 S500 H502	F105-D495 WeakPolarHBondContact CE1-O 3.49Å; F105-D495 WeakPolarHBondContact CZ-O 3.43Å; D495-E497 PolarHBondContact O-N 3.34Å; D495-A498 WeakPolarHBondContact O-CA 3.3Å; D495-A498 PolarHBondContact O-N 3.27Å; D495-S500 PolarHBondContact N-O 3Å; D495-H502 IonicContact OD1-CD2 3.78Å; D495-H502 IonicContact OD1-CE1 3.69Å; D495-H502 IonicContact OD1-NE2 2.71Å; D495-H502 PolarHBondContact OD1-NE2 3.21Å
496	Q	83.4	Confident	92.1	Very high	108 Å²	108	23.2 Å²	23.2	51%	0.505	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28	-176.7	-62.2	-174.9	5.1	0	0	114.1	F105 T108	F105-Q496 WeakPolarHBondContact CE1-O 3.3Å; T108-Q496 HydrophobicContact CG2-CG 4.41Å
497	E	82.6	Confident	92.1	Very high	122 Å²	122	23.2 Å²	23.2	57%	0.57	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.6	177	-60	-173.7	171.4	0	0	113.5	D495 I499	D495-E497 PolarHBondContact O-N 3.34Å; E497-I499 HydrophobicContact CB-CD1 4.05Å; E497-I499 HydrophobicContact CB-CG1 4.09Å; E497-I499 PolarHBondContact O-N 2.94Å
498	A	84.7	Confident	92.1	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	12%	0.12	C	C	.	.	S	Bend	trans	57.7	25.3	-176.9	0	0	0	0	0	115.4	F105 P494 D495 L657 Y658	F105-A498 HydrophobicContact CD1-CB 4.5Å; F105-A498 HydrophobicContact CE1-CB 3.86Å; F105-A498 HydrophobicContact CZ-CB 4.35Å; P494-A498 HydrophobicContact CB-CB 4.4Å; D495-A498 WeakPolarHBondContact O-CA 3.3Å; D495-A498 PolarHBondContact O-N 3.27Å; A498-L657 HydrophobicContact CB-CD1 3.56Å; A498-L657 HydrophobicContact CB-CD2 4.4Å; A498-L657 HydrophobicContact CB-CG 3.7Å; A498-Y658 HydrophobicContact CB-CD1 4.22Å; A498-Y658 HydrophobicContact CB-CE1 4.12Å
499	I	86	Confident	91.9	Very high	111 Å²	111	23.4 Å²	23.4	57%	0.569	12%	0.119	S	C	*	.	S	Bend	trans	-86.1	-51.7	177.7	-60.2	174.4	0	0	0	110.5	E497	E497-I499 HydrophobicContact CB-CD1 4.05Å; E497-I499 HydrophobicContact CB-CG1 4.09Å; E497-I499 PolarHBondContact O-N 2.94Å
500	S	90	Very high	91.8	Very high	36 Å²	36	23.4 Å²	23.4	25%	0.252	12%	0.119	S	C	.	.	S	Bend	trans	-111.3	170.4	178.3	58.6	0	0	0	0	111.1	D495	D495-S500 PolarHBondContact N-O 3Å
501	F	93.6	Very high	91.9	Very high	3 Å²	3	24 Å²	24	1%	0.013	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.5	174.3	-68.3	-102.2	0	0	0	111.8	L492 Y493 P494 D567 K619 K622 Y658	L492-F501 HydrophobicContact CB-CB 4.04Å; L492-F501 HydrophobicContact CB-CD1 3.82Å; L492-F501 HydrophobicContact CB-CG 4.22Å; L492-F501 HydrophobicContact CD2-CB 4.09Å; Y493-F501 CarbonylContact O-C 3.53Å; Y493-F501 VanDerWaalsContact O-CA 3.29Å; Y493-F501 WeakPolarHBondContact O-CA 3.29Å; P494-F501 HydrophobicContact CB-CD1 4.29Å; P494-F501 HydrophobicContact CB-CE1 4.04Å; F501-D567 HydrophobicContact CB-CB 3.92Å; F501-D567 PolarHBondContact N-OD2 3.08Å; F501-D567 WeakPolarHBondContact O-CB 3.4Å; F501-K619 HydrophobicContact CE2-CB 3.96Å; F501-K619 HydrophobicContact CE2-CD 4.47Å; F501-K619 HydrophobicContact CE2-CG 3.87Å; F501-K619 HydrophobicContact CZ-CB 3.88Å; F501-K619 HydrophobicContact CZ-CG 4.32Å; F501-K619 WeakPolarHBondContact CZ-O 3.47Å; F501-K622 HydrophobicContact CD2-CD 4.21Å; F501-K622 HydrophobicContact CE1-CB 4.39Å; F501-K622 HydrophobicContact CE2-CD 4.33Å; F501-K622 HydrophobicContact CZ-CB 4.37Å; F501-Y658 HydrophobicContact CE1-CE1 4.34Å; F501-Y658 WeakPolarHBondContact CE1-OH 3.23Å; F501-Y658 HydrophobicContact CE2-CE1 4.38Å; F501-Y658 AromaticContact CZ-CE1 3.63Å; F501-Y658 HydrophobicContact CZ-CE1 3.63Å; F501-Y658 AromaticContact CZ-CZ 3.74Å
502	H	94.5	Very high	91.9	Very high	5 Å²	5	24 Å²	24	2%	0.023	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.3	163.8	-59.8	-46.2	0	0	0	108.8	L492 Y493 D495 L562	L492-H502 WeakPolarHBondContact CA-O 3.42Å; Y493-H502 PolarHBondContact N-O 3.15Å; Y493-H502 PolarHBondContact O-N 2.9Å; D495-H502 IonicContact OD1-CD2 3.78Å; D495-H502 IonicContact OD1-CE1 3.69Å; D495-H502 IonicContact OD1-NE2 2.71Å; D495-H502 PolarHBondContact OD1-NE2 3.21Å; H502-L562 HydrophobicContact CB-CB 4.41Å; H502-L562 HydrophobicContact CB-CD2 3.96Å
503	V	95.4	Very high	92	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.3	-177.8	178.3	0	0	0	0	108.8	T489 L492 L562 I563 I566 D567 I570	T489-V503 HydrophobicContact CG2-CG1 3.43Å; T489-V503 VanDerWaalsContact CG2-CG1 3.43Å; L492-V503 HydrophobicContact CD2-CG2 4.01Å; L492-V503 HydrophobicContact CG-CG2 4.28Å; V503-L562 CarbonylContact O-C 3.57Å; V503-L562 WeakPolarHBondContact O-CA 3.17Å; V503-I563 HydrophobicContact CB-CB 4.48Å; V503-I563 PolarHBondContact N-O 3.05Å; V503-I563 PolarHBondContact O-N 3.17Å; V503-I566 HydrophobicContact CB-CD1 4.03Å; V503-I566 HydrophobicContact CB-CG1 4.03Å; V503-I566 HydrophobicContact CG1-CD1 4.12Å; V503-I566 HydrophobicContact CG2-CD1 4.3Å; V503-I566 HydrophobicContact CG2-CG1 3.87Å; V503-D567 HydrophobicContact CG2-CB 3.89Å; V503-I570 HydrophobicContact CB-CD1 4.45Å; V503-I570 HydrophobicContact CG1-CD1 3.71Å; V503-I570 HydrophobicContact CG2-CD1 3.95Å
504	F	96.1	Very high	92.1	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.1	-179.4	-170.5	-96.9	0	0	0	111.5	P188 F206 L224 T489 T490 K491 Y493 W560 V561 L562	P188-F504 HydrophobicContact CB-CE1 4.29Å; P188-F504 HydrophobicContact CB-CE2 3.77Å; P188-F504 HydrophobicContact CB-CZ 3.46Å; P188-F504 VanDerWaalsContact CB-CZ 3.46Å; P188-F504 HydrophobicContact CG-CD2 4.13Å; P188-F504 HydrophobicContact CG-CE1 4.44Å; P188-F504 HydrophobicContact CG-CE2 3.56Å; P188-F504 HydrophobicContact CG-CZ 3.7Å; F206-F504 HydrophobicContact CE1-CE1 4Å; F206-F504 HydrophobicContact CE1-CZ 4.46Å; F206-F504 AromaticContact CE2-CE1 3.67Å; F206-F504 HydrophobicContact CE2-CE1 3.67Å; F206-F504 HydrophobicContact CE2-CZ 4.34Å; F206-F504 AromaticContact CZ-CD1 3.73Å; F206-F504 HydrophobicContact CZ-CD1 3.73Å; F206-F504 AromaticContact CZ-CE1 3.12Å; F206-F504 HydrophobicContact CZ-CE1 3.12Å; F206-F504 AromaticContact CZ-CZ 3.86Å; F206-F504 HydrophobicContact CZ-CZ 3.86Å; L224-F504 HydrophobicContact CD1-CD1 3.58Å; L224-F504 HydrophobicContact CD1-CE1 3.54Å; T489-F504 WeakPolarHBondContact CA-O 3.19Å; T490-F504 PolarHBondContact N-O 3.23Å; T490-F504 VanDerWaalsContact N-O 3.17Å; K491-F504 HydrophobicContact CB-CB 4.23Å; K491-F504 WeakPolarHBondContact O-CA 3.36Å; K491-F504 WeakPolarHBondContact O-CB 3.13Å; K491-F504 PolarHBondContact O-N 3.25Å; Y493-F504 HydrophobicContact CD2-CB 3.85Å; Y493-F504 HydrophobicContact CD2-CG 4.41Å; Y493-F504 HydrophobicContact CE2-CB 3.6Å; Y493-F504 HydrophobicContact CE2-CD1 4.4Å; Y493-F504 HydrophobicContact CE2-CD2 4.19Å; Y493-F504 AromaticContact CE2-CG 3.8Å; Y493-F504 HydrophobicContact CE2-CG 3.8Å; F504-W560 HydrophobicContact CE1-CB 4.21Å; F504-W560 HydrophobicContact CE1-CD2 4.19Å; F504-W560 HydrophobicContact CE1-CE3 4.26Å; F504-W560 HydrophobicContact CE1-CG 4.19Å; F504-W560 HydrophobicContact CE2-CB 3.97Å; F504-W560 HydrophobicContact CZ-CB 3.48Å; F504-W560 VanDerWaalsContact CZ-CB 3.48Å; F504-W560 AromaticContact CZ-CD2 3.83Å; F504-W560 HydrophobicContact CZ-CD2 3.83Å; F504-W560 AromaticContact CZ-CE3 3.66Å; F504-W560 HydrophobicContact CZ-CE3 3.66Å; F504-W560 AromaticContact CZ-CG 3.79Å; F504-W560 HydrophobicContact CZ-CG 3.79Å; F504-V561 WeakPolarHBondContact CA-O 3.18Å; F504-V561 WeakPolarHBondContact CD2-O 3.33Å; F504-L562 HydrophobicContact CB-CD2 3.87Å; F504-L562 HydrophobicContact CD2-CD2 3.55Å; F504-L562 HydrophobicContact CD2-CG 3.82Å; F504-L562 HydrophobicContact CE2-CG 4.47Å; F504-L562 HydrophobicContact CG-CD2 4.18Å
505	G	95.1	Very high	92.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-178.9	-179.8	0	0	0	0	0	113.6	H488 W560 V561	H488-G505 CarbonylContact O-C 3.58Å; H488-G505 WeakPolarHBondContact O-CA 3.41Å; G505-W560 CarbonylContact O-C 3.52Å; G505-W560 WeakPolarHBondContact O-CA 3.3Å; G505-V561 PolarHBondContact N-O 2.81Å; G505-V561 PolarHBondContact O-N 2.61Å
506	R	96.1	Very high	92.4	Very high	3 Å²	3	31.3 Å²	31.3	1%	0.011	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.3	175.9	176.5	175.1	170.5	-179.6	-0.6	110.6	L224 D226 V487 H488 L508 N559	L224-R506 HydrophobicContact CD2-CB 3.85Å; L224-R506 VanDerWaalsContact O-CD 3.3Å; L224-R506 WeakPolarHBondContact O-CD 3.37Å; L224-R506 PolarHBondContact O-NH1 3.23Å; D226-R506 IonicContact OD1-CZ 2.64Å; D226-R506 IonicContact OD1-NH1 3.45Å; D226-R506 PolarHBondContact OD1-NH1 3.42Å; D226-R506 IonicContact OD1-NH2 2.72Å; D226-R506 PolarHBondContact OD1-NH2 3.16Å; D226-R506 IonicContact OD2-CZ 3.73Å; D226-R506 VanDerWaalsContact OD2-CZ 3.29Å; D226-R506 IonicContact OD2-NH1 2.84Å; D226-R506 PolarHBondContact OD2-NH1 2.84Å; D226-R506 VanDerWaalsContact OD2-NH1 3.07Å; D226-R506 IonicContact OD2-NH2 3.73Å; D226-R506 PolarHBondContact OD2-NH2 3.43Å; V487-R506 WeakPolarHBondContact CA-O 3.39Å; V487-R506 VanDerWaalsContact CG1-O 3.3Å; V487-R506 WeakPolarHBondContact CG1-O 3.29Å; H488-R506 PolarHBondContact N-O 3.31Å; H488-R506 PolarHBondContact O-N 3.09Å; R506-L508 HydrophobicContact CG-CD2 4.31Å; R506-L508 PolarHBondContact O-N 2.79Å; R506-N559 WeakPolarHBondContact CA-O 3.35Å
507	V	95.9	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.7	170.1	-171.7	0	0	0	0	107.9	V485 V487 L512 V555 A557 G558 N559 V561	V485-V507 HydrophobicContact CG1-CG1 4.25Å; V487-V507 HydrophobicContact CG1-CG2 4.45Å; V487-V507 HydrophobicContact CG2-CG1 4.5Å; V487-V507 HydrophobicContact CG2-CG2 4.13Å; V507-L512 HydrophobicContact CG2-CB 4.39Å; V507-V555 HydrophobicContact CG2-CB 4.43Å; V507-V555 HydrophobicContact CG2-CG1 4.03Å; V507-A557 HydrophobicContact CG1-CB 4.38Å; V507-G558 PolarHBondContact O-N 3.23Å; V507-N559 PolarHBondContact N-O 2.92Å; V507-V561 HydrophobicContact CG2-CG1 3.98Å
508	L	93.7	Very high	93.5	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-29	-178.7	-71.6	167.1	0	0	0	112.4	M486 H488 R506 F587	M486-L508 PolarHBondContact O-N 2.94Å; H488-L508 HydrophobicContact CB-CD1 4.07Å; R506-L508 HydrophobicContact CG-CD2 4.31Å; R506-L508 PolarHBondContact O-N 2.79Å; L508-F587 HydrophobicContact CD1-CD1 4.43Å; L508-F587 HydrophobicContact CD1-CE1 3.51Å; L508-F587 HydrophobicContact CD1-CE2 3.85Å; L508-F587 HydrophobicContact CD1-CZ 3.18Å
509	C	92.9	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	148.2	179.1	-178.5	0	0	0	0	109.6	A474 M475 V485 M486	A474-C509 VanDerWaalsContact CB-SG 3.58Å; M475-C509 HydrophobicContact CG-CB 3.84Å; V485-C509 CarbonylContact C-O 3.52Å; V485-C509 VanDerWaalsContact CA-O 3.32Å; V485-C509 WeakPolarHBondContact CA-O 3.45Å; M486-C509 HydrophobicContact CB-CB 4.27Å; M486-C509 PolarHBondContact N-O 3.41Å; M486-C509 PolarHBondContact O-N 3.38Å
510	G	93	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	75.2	-169.3	-177.8	0	0	0	0	0	113.3	N479 M480 A557	N479-G510 PolarHBondContact O-N 3.43Å; M480-G510 CarbonylContact O-C 3.51Å; M480-G510 VanDerWaalsContact O-C 3.28Å; M480-G510 WeakPolarHBondContact O-CA 3.2Å; G510-A557 WeakPolarHBondContact O-CB 3.15Å; G510-A557 PolarHBondContact O-N 3.14Å; G510-A557 VanDerWaalsContact O-N 3.08Å
511	T	95.1	Very high	94.6	Very high	15 Å²	15	20.1 Å²	20.1	9%	0.092	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.6	176.4	-60.5	0	0	0	0	108.6	M480 V485 F513 R554	M480-T511 PolarHBondContact O-N 3.48Å; M480-T511 PolarHBondContact O-OG1 2.96Å; V485-T511 WeakPolarHBondContact CG2-O 3.15Å; T511-F513 HydrophobicContact CG2-CD2 4.48Å; T511-F513 HydrophobicContact CG2-CE1 4.29Å; T511-F513 HydrophobicContact CG2-CE2 3.91Å; T511-F513 HydrophobicContact CG2-CZ 3.8Å; T511-F513 WeakPolarHBondContact O-CD2 3.33Å; T511-F513 WeakPolarHBondContact O-CE2 3.5Å; T511-R554 HydrophobicContact CG2-CB 3.89Å; T511-R554 HydrophobicContact CG2-CG 4.33Å
512	L	95.2	Very high	94.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.2	177.5	-171.9	69.1	0	0	0	109.5	V485 V487 V507 V518 V538 L541 R554 V555 V561 I563	V485-L512 HydrophobicContact CG1-CB 4.3Å; V485-L512 HydrophobicContact CG1-CD1 4.26Å; V487-L512 HydrophobicContact CG2-CD2 4.47Å; V507-L512 HydrophobicContact CG2-CB 4.39Å; L512-V518 HydrophobicContact CD1-CG1 4.09Å; L512-V538 HydrophobicContact CD1-CG2 4.09Å; L512-L541 HydrophobicContact CB-CD1 4.4Å; L512-L541 HydrophobicContact CD2-CD1 4.24Å; L512-L541 HydrophobicContact CD2-CD2 3.61Å; L512-L541 HydrophobicContact CG-CD1 4.11Å; L512-L541 HydrophobicContact CG-CD2 4.24Å; L512-L541 WeakPolarHBondContact O-CD1 3.25Å; L512-R554 CarbonylContact O-C 3.45Å; L512-R554 WeakPolarHBondContact O-CA 3.45Å; L512-V555 PolarHBondContact N-O 3.1Å; L512-V555 PolarHBondContact O-N 2.91Å; L512-V561 HydrophobicContact CD2-CG1 4.48Å; L512-I563 HydrophobicContact CD2-CD1 3.62Å; L512-I563 HydrophobicContact CD2-CG1 3.92Å
513	F	95.8	Very high	94.3	Very high	101 Å²	101	23.4 Å²	23.4	44%	0.443	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	145.5	177.4	-64.5	-90	0	0	0	111.6	T511 Q516 R554	T511-F513 HydrophobicContact CG2-CD2 4.48Å; T511-F513 HydrophobicContact CG2-CE1 4.29Å; T511-F513 HydrophobicContact CG2-CE2 3.91Å; T511-F513 HydrophobicContact CG2-CZ 3.8Å; T511-F513 WeakPolarHBondContact O-CD2 3.33Å; T511-F513 WeakPolarHBondContact O-CE2 3.5Å; F513-Q516 HydrophobicContact CB-CB 4.29Å; F513-Q516 VanDerWaalsContact N-OE1 3.13Å; F513-Q516 WeakPolarHBondContact O-CB 3.16Å; F513-Q516 PolarHBondContact O-N 2.9Å; F513-R554 HydrophobicContact CD1-CB 3.66Å; F513-R554 HydrophobicContact CE1-CB 3.76Å; F513-R554 HydrophobicContact CE1-CG 4.46Å; F513-R554 HydrophobicContact CG-CB 4.44Å
514	A	95.3	Very high	94	Very high	43 Å²	43	29.4 Å²	29.4	36%	0.355	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	137.4	169	0	0	0	0	0	110.2	Q516 L541 N553	A514-Q516 VanDerWaalsContact C-N 3.29Å; A514-Q516 PolarHBondContact O-N 3.47Å; A514-L541 HydrophobicContact CB-CG 4.39Å; A514-N553 PolarHBondContact N-O 3.31Å
515	G	93.5	Very high	93.7	Very high	50 Å²	50	29.7 Å²	29.7	52%	0.515	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-2.6	-175	0	0	0	0	0	115.8	V538 G539	G515-V538 WeakPolarHBondContact CA-O 3.48Å; G515-V538 PolarHBondContact N-O 3.21Å; G515-G539 PolarHBondContact N-O 3.39Å
516	Q	93.3	Very high	93.4	Very high	45 Å²	45	32.7 Å²	32.7	21%	0.21	19%	0.188	C	C	.	.			trans	-70.6	138.3	-179.8	-174.3	176.4	3.3	0	0	111.8	F513 A514 V518 V538	F513-Q516 HydrophobicContact CB-CB 4.29Å; F513-Q516 VanDerWaalsContact N-OE1 3.13Å; F513-Q516 WeakPolarHBondContact O-CB 3.16Å; F513-Q516 PolarHBondContact O-N 2.9Å; A514-Q516 VanDerWaalsContact C-N 3.29Å; A514-Q516 PolarHBondContact O-N 3.47Å; Q516-V518 HydrophobicContact CG-CG1 4.25Å; Q516-V538 WeakPolarHBondContact O-CB 3.49Å; Q516-V538 WeakPolarHBondContact O-CG2 3.2Å; Q516-V538 PolarHBondContact O-N 3.46Å
517	T	94.4	Very high	92.9	Very high	89 Å²	89	36 Å²	36	55%	0.546	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.7	169.5	51.1	0	0	0	0	110.5
518	V	94.5	Very high	92.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159	-176.4	-63	0	0	0	0	110.6	L512 Q516 P535 A536 V538 I566 I576 T577	L512-V518 HydrophobicContact CD1-CG1 4.09Å; Q516-V518 HydrophobicContact CG-CG1 4.25Å; V518-P535 CarbonylContact O-C 3.02Å; V518-P535 WeakPolarHBondContact O-CA 3.14Å; V518-A536 WeakPolarHBondContact CG2-O 3.21Å; V518-A536 PolarHBondContact N-O 2.8Å; V518-A536 PolarHBondContact O-N 2.85Å; V518-V538 HydrophobicContact CG1-CG2 3.87Å; V518-V538 HydrophobicContact CG2-CG2 3.88Å; V518-I566 HydrophobicContact CG2-CG2 4.28Å; V518-I576 HydrophobicContact CB-CG2 3.56Å; V518-I576 HydrophobicContact CG1-CG2 4Å; V518-I576 HydrophobicContact CG2-CG2 3.63Å; V518-T577 CarbonylContact C-O 3.54Å; V518-T577 WeakPolarHBondContact CA-O 3.41Å
519	R	94.3	Very high	92.1	Very high	50 Å²	50	44.2 Å²	44.2	19%	0.189	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.5	170.6	-169.2	178.1	-171.8	177.9	3.8	108.4	L521 E530 S533 T577	R519-L521 HydrophobicContact CG-CD2 4.01Å; R519-E530 IonicContact CZ-OE2 2.83Å; R519-E530 IonicContact NH1-OE1 3.03Å; R519-E530 IonicContact NH1-OE2 3.71Å; R519-E530 VanDerWaalsContact NH2-CD 3.35Å; R519-E530 IonicContact NH2-OE1 2.83Å; R519-E530 IonicContact NH2-OE2 2.7Å; R519-E530 PolarHBondContact NH2-OE2 3.2Å; R519-S533 PolarHBondContact NE-OG 2.7Å; R519-S533 PolarHBondContact NH2-OG 3.12Å; R519-T577 HydrophobicContact CB-CG2 3.97Å; R519-T577 PolarHBondContact N-O 3.36Å; R519-T577 PolarHBondContact O-N 3.24Å
520	V	94.9	Very high	91.8	Very high	3 Å²	3	49 Å²	49	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.2	176.3	-175.5	0	0	0	0	108.3	S533 R534 A536 I566 P569 I570 A574	V520-S533 VanDerWaalsContact O-CA 3.29Å; V520-S533 WeakPolarHBondContact O-CA 3.37Å; V520-R534 PolarHBondContact N-O 2.82Å; V520-R534 PolarHBondContact O-N 2.77Å; V520-A536 HydrophobicContact CG2-CB 4.08Å; V520-I566 HydrophobicContact CG2-CB 4.43Å; V520-P569 HydrophobicContact CB-CG 3.98Å; V520-P569 HydrophobicContact CG1-CB 4.36Å; V520-P569 HydrophobicContact CG1-CG 3.94Å; V520-P569 HydrophobicContact CG2-CG 4.14Å; V520-I570 HydrophobicContact CG1-CD1 3.88Å; V520-I570 HydrophobicContact CG1-CG1 3.61Å; V520-A574 HydrophobicContact CG1-CB 3.86Å
521	L	94.2	Very high	91.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.9	177.3	-46.2	177.3	0	0	0	108.7	R519 Y525 A574 T575 T577 A584 I586	R519-L521 HydrophobicContact CG-CD2 4.01Å; L521-Y525 HydrophobicContact CB-CD1 4.21Å; L521-Y525 HydrophobicContact CB-CG 4.14Å; L521-Y525 HydrophobicContact CD1-CD1 4.12Å; L521-Y525 HydrophobicContact CD1-CE1 4.02Å; L521-Y525 HydrophobicContact CD2-CD1 4.32Å; L521-Y525 HydrophobicContact CD2-CD2 4.06Å; L521-Y525 HydrophobicContact CD2-CE1 4.25Å; L521-Y525 HydrophobicContact CD2-CE2 3.98Å; L521-Y525 HydrophobicContact CD2-CG 4.23Å; L521-Y525 HydrophobicContact CG-CD1 4.45Å; L521-A574 WeakPolarHBondContact O-CA 3.29Å; L521-A574 WeakPolarHBondContact O-CB 3.44Å; L521-T575 WeakPolarHBondContact CB-O 3.39Å; L521-T575 HydrophobicContact CD1-CG2 4.45Å; L521-T575 PolarHBondContact N-O 3.16Å; L521-T575 PolarHBondContact O-N 3.33Å; L521-T577 HydrophobicContact CD1-CG2 4.11Å; L521-T577 HydrophobicContact CD2-CG2 4.49Å; L521-T577 HydrophobicContact CG-CG2 4.26Å; L521-A584 HydrophobicContact CD1-CB 4.35Å; L521-I586 HydrophobicContact CB-CG2 3.77Å; L521-I586 HydrophobicContact CD1-CG2 4.36Å
522	G	92.5	Very high	91.3	Very high	9 Å²	9	58.9 Å²	58.9	9%	0.093	33%	0.328	C	S	.	.			trans	-78.9	-174.5	176	0	0	0	0	0	113.5	D532 I586	G522-D532 WeakPolarHBondContact CA-OD2 3.34Å; G522-D532 PolarHBondContact N-O 2.72Å; G522-I586 WeakPolarHBondContact O-CG2 3.48Å
523	E	89.4	Confident	91.1	Very high	68 Å²	68	59.6 Å²	59.6	32%	0.318	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.4	-175.4	-68	-178.8	177.5	0	0	113.5	D532 T573 I586 P589	E523-D532 PolarHBondContact N-OD2 2.84Å; E523-T573 WeakPolarHBondContact CG-OG1 3.38Å; E523-T573 WeakPolarHBondContact OE1-CB 3.42Å; E523-T573 PolarHBondContact OE1-N 3.37Å; E523-T573 VanDerWaalsContact OE1-N 3.13Å; E523-T573 PolarHBondContact OE1-OG1 2.89Å; E523-I586 VanDerWaalsContact O-CD1 3.32Å; E523-I586 WeakPolarHBondContact O-CD1 3.34Å; E523-P589 HydrophobicContact CB-CG 4.43Å; E523-P589 HydrophobicContact CG-CG 4.37Å
524	N	88.8	Confident	91	Very high	125 Å²	125	61.3 Å²	61.3	67%	0.668	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.2	179.6	-63.6	-36.6	0	0	0	112.4	T526 D532	N524-T526 PolarHBondContact O-N 3.31Å; N524-D532 HydrophobicContact CB-CB 4.18Å; N524-D532 WeakPolarHBondContact CB-OD2 3.46Å; N524-D532 PolarHBondContact N-OD2 3.02Å
525	Y	90.8	Very high	90.9	Very high	9 Å²	9	64.9 Å²	64.9	4%	0.035	36%	0.356	C	S	.	.			trans	-60.5	128.7	180	174.6	-90.9	0	0	0	111.3	L521 L527 E530 A584 I586	L521-Y525 HydrophobicContact CB-CD1 4.21Å; L521-Y525 HydrophobicContact CB-CG 4.14Å; L521-Y525 HydrophobicContact CD1-CD1 4.12Å; L521-Y525 HydrophobicContact CD1-CE1 4.02Å; L521-Y525 HydrophobicContact CD2-CD1 4.32Å; L521-Y525 HydrophobicContact CD2-CD2 4.06Å; L521-Y525 HydrophobicContact CD2-CE1 4.25Å; L521-Y525 HydrophobicContact CD2-CE2 3.98Å; L521-Y525 HydrophobicContact CD2-CG 4.23Å; L521-Y525 HydrophobicContact CG-CD1 4.45Å; Y525-L527 HydrophobicContact CE1-CD2 4.45Å; Y525-E530 HydrophobicContact CE2-CB 4.05Å; Y525-E530 HydrophobicContact CE2-CG 3.92Å; Y525-A584 WeakPolarHBondContact CE1-O 3.21Å; Y525-I586 HydrophobicContact CD1-CG2 3.67Å; Y525-I586 HydrophobicContact CG-CG2 4.22Å
526	T	87.8	Confident	90.8	Very high	64 Å²	64	63.3 Å²	63.3	39%	0.393	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-131.5	163.7	169.8	65.5	0	0	0	0	109.3	N524 S528 D529	N524-T526 PolarHBondContact O-N 3.31Å; T526-S528 PolarHBondContact O-N 3.04Å; T526-S528 VanDerWaalsContact O-N 3.16Å; T526-S528 PolarHBondContact OG1-OG 2.95Å; T526-D529 PolarHBondContact N-O 3.24Å; T526-D529 VanDerWaalsContact N-O 3.11Å; T526-D529 CarbonylContact O-C 3.48Å; T526-D529 VanDerWaalsContact O-C 3.22Å; T526-D529 PolarHBondContact O-N 3.08Å; T526-D529 WeakPolarHBondContact OG1-CB 3.34Å; T526-D529 PolarHBondContact OG1-N 2.65Å; T526-D529 VanDerWaalsContact OG1-N 3.14Å
527	L	86.1	Confident	90.9	Very high	73 Å²	73	65.1 Å²	65.1	38%	0.382	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.7	176.6	-68.4	-173.3	0	0	0	113.5	Y525 Y585	Y525-L527 HydrophobicContact CE1-CD2 4.45Å; L527-Y585 HydrophobicContact CD1-CD1 4.48Å; L527-Y585 HydrophobicContact CD1-CD2 4.44Å; L527-Y585 HydrophobicContact CD1-CE1 3.7Å; L527-Y585 HydrophobicContact CD1-CE2 3.65Å; L527-Y585 WeakPolarHBondContact CD1-OH 3.48Å; L527-Y585 HydrophobicContact CG-CD1 4.3Å; L527-Y585 HydrophobicContact CG-CE1 3.88Å; L527-Y585 HydrophobicContact CG-CE2 4.32Å
528	S	85.5	Confident	90.9	Very high	117 Å²	117	61 Å²	61	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-24.1	174.4	42	0	0	0	0	113.3	T526	T526-S528 PolarHBondContact O-N 3.04Å; T526-S528 VanDerWaalsContact O-N 3.16Å; T526-S528 PolarHBondContact OG1-OG 2.95Å
529	D	86.8	Confident	90.9	Very high	64 Å²	64	62.4 Å²	62.4	34%	0.342	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-130.4	98	-174.3	-175.3	1.3	0	0	0	109.9	T526 E531	T526-D529 PolarHBondContact N-O 3.24Å; T526-D529 VanDerWaalsContact N-O 3.11Å; T526-D529 CarbonylContact O-C 3.48Å; T526-D529 VanDerWaalsContact O-C 3.22Å; T526-D529 PolarHBondContact O-N 3.08Å; T526-D529 WeakPolarHBondContact OG1-CB 3.34Å; T526-D529 PolarHBondContact OG1-N 2.65Å; T526-D529 VanDerWaalsContact OG1-N 3.14Å; D529-E531 VanDerWaalsContact OD1-CB 3.3Å; D529-E531 WeakPolarHBondContact OD1-CB 3.43Å; D529-E531 VanDerWaalsContact OD1-CG 3.3Å; D529-E531 WeakPolarHBondContact OD1-CG 3.38Å; D529-E531 PolarHBondContact OD1-N 3.27Å; D529-E531 VanDerWaalsContact OD1-N 3.09Å
530	E	87.1	Confident	91	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	35%	0.353	S	S	.	.			trans	-90.1	5.2	-179.8	-57.7	-158.5	154.7	0	0	113.5	R519 Y525 D532 S533	R519-E530 IonicContact CZ-OE2 2.83Å; R519-E530 IonicContact NH1-OE1 3.03Å; R519-E530 IonicContact NH1-OE2 3.71Å; R519-E530 VanDerWaalsContact NH2-CD 3.35Å; R519-E530 IonicContact NH2-OE1 2.83Å; R519-E530 IonicContact NH2-OE2 2.7Å; R519-E530 PolarHBondContact NH2-OE2 3.2Å; Y525-E530 HydrophobicContact CE2-CB 4.05Å; Y525-E530 HydrophobicContact CE2-CG 3.92Å; E530-D532 VanDerWaalsContact C-N 3.27Å; E530-D532 PolarHBondContact O-N 3.39Å; E530-S533 WeakPolarHBondContact O-CB 3.28Å; E530-S533 PolarHBondContact O-N 3.05Å; E530-S533 VanDerWaalsContact O-N 3.13Å; E530-S533 PolarHBondContact O-OG 3.37Å
531	E	89.2	Confident	91.1	Very high	171 Å²	171	65 Å²	65	80%	0.799	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.4	-176	-69.4	-175.1	178.4	0	0	112.5	D529 S533	D529-E531 VanDerWaalsContact OD1-CB 3.3Å; D529-E531 WeakPolarHBondContact OD1-CB 3.43Å; D529-E531 VanDerWaalsContact OD1-CG 3.3Å; D529-E531 WeakPolarHBondContact OD1-CG 3.38Å; D529-E531 PolarHBondContact OD1-N 3.27Å; D529-E531 VanDerWaalsContact OD1-N 3.09Å; E531-S533 PolarHBondContact O-N 2.72Å; E531-S533 VanDerWaalsContact O-N 3.1Å
532	D	89	Confident	91.1	Very high	51 Å²	51	66.7 Å²	66.7	27%	0.273	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	30.8	177.5	-160.4	23.4	0	0	0	112.7	G522 E523 N524 E530	G522-D532 WeakPolarHBondContact CA-OD2 3.34Å; G522-D532 PolarHBondContact N-O 2.72Å; E523-D532 PolarHBondContact N-OD2 2.84Å; N524-D532 HydrophobicContact CB-CB 4.18Å; N524-D532 WeakPolarHBondContact CB-OD2 3.46Å; N524-D532 PolarHBondContact N-OD2 3.02Å; E530-D532 VanDerWaalsContact C-N 3.27Å; E530-D532 PolarHBondContact O-N 3.39Å
533	S	90.8	Very high	91.2	Very high	17 Å²	17	66.4 Å²	66.4	12%	0.119	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.3	172.9	75.8	0	0	0	0	111.6	R519 V520 E530 E531	R519-S533 PolarHBondContact NE-OG 2.7Å; R519-S533 PolarHBondContact NH2-OG 3.12Å; V520-S533 VanDerWaalsContact O-CA 3.29Å; V520-S533 WeakPolarHBondContact O-CA 3.37Å; E530-S533 WeakPolarHBondContact O-CB 3.28Å; E530-S533 PolarHBondContact O-N 3.05Å; E530-S533 VanDerWaalsContact O-N 3.13Å; E530-S533 PolarHBondContact O-OG 3.37Å; E531-S533 PolarHBondContact O-N 2.72Å; E531-S533 VanDerWaalsContact O-N 3.1Å
534	R	92.5	Very high	91.3	Very high	136 Å²	136	63.7 Å²	63.7	51%	0.513	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.8	177.5	-62.4	-163.9	-174.9	-179.4	-1.6	112.2	V520 P569	V520-R534 PolarHBondContact N-O 2.82Å; V520-R534 PolarHBondContact O-N 2.77Å; R534-P569 HydrophobicContact CB-CB 4.18Å; R534-P569 HydrophobicContact CG-CB 4.34Å
535	P	92.9	Very high	91.5	Very high	118 Å²	118	57.7 Å²	57.7	77%	0.766	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	139.8	166.7	30.9	-32.8	0	0	0	109.9	V518	V518-P535 CarbonylContact O-C 3.02Å; V518-P535 WeakPolarHBondContact O-CA 3.14Å
536	A	93.2	Very high	91.4	Very high	18 Å²	18	57.5 Å²	57.5	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.5	175.5	0	0	0	0	0	109.9	V518 V520 I566	V518-A536 WeakPolarHBondContact CG2-O 3.21Å; V518-A536 PolarHBondContact N-O 2.8Å; V518-A536 PolarHBondContact O-N 2.85Å; V520-A536 HydrophobicContact CG2-CB 4.08Å; A536-I566 HydrophobicContact CB-CB 4.29Å; A536-I566 HydrophobicContact CB-CG2 3.84Å
537	T	95.1	Very high	91.5	Very high	82 Å²	82	56.4 Å²	56.4	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.7	176.6	-54.1	0	0	0	0	108.8	G539	T537-G539 PolarHBondContact O-N 3.42Å
538	V	94.8	Very high	91.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.283	C	S	.	.			trans	-66.3	125.1	173.7	173.8	0	0	0	0	108.8	L512 G515 Q516 V518 L541 I563 I566	L512-V538 HydrophobicContact CD1-CG2 4.09Å; G515-V538 WeakPolarHBondContact CA-O 3.48Å; G515-V538 PolarHBondContact N-O 3.21Å; Q516-V538 WeakPolarHBondContact O-CB 3.49Å; Q516-V538 WeakPolarHBondContact O-CG2 3.2Å; Q516-V538 PolarHBondContact O-N 3.46Å; V518-V538 HydrophobicContact CG1-CG2 3.87Å; V518-V538 HydrophobicContact CG2-CG2 3.88Å; V538-L541 HydrophobicContact CG1-CD2 3.55Å; V538-L541 HydrophobicContact CG1-CG 4.1Å; V538-I563 HydrophobicContact CG1-CG2 3.9Å; V538-I563 HydrophobicContact CG2-CG2 4.21Å; V538-I566 HydrophobicContact CG2-CG2 4.44Å
539	G	94.4	Very high	92	Very high	32 Å²	32	50.7 Å²	50.7	33%	0.33	26%	0.259	S	S	.	.			trans	-75.5	-116.2	170.3	0	0	0	0	0	111	G515 T537 E564	G515-G539 PolarHBondContact N-O 3.39Å; T537-G539 PolarHBondContact O-N 3.42Å; G539-E564 PolarHBondContact N-O 3.4Å
540	R	95.2	Very high	92.3	Very high	108 Å²	108	48.3 Å²	48.3	41%	0.408	25%	0.246	S	C	.	.			trans	-91.8	157.1	173.6	-63.3	170.8	-72.4	-174.9	-2.6	111.3	W542 E551 E564	R540-W542 HydrophobicContact CB-CZ2 4.26Å; R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; R540-E564 WeakPolarHBondContact CB-OE2 3.41Å; R540-E564 IonicContact CZ-OE1 2.7Å; R540-E564 IonicContact CZ-OE2 3.65Å; R540-E564 VanDerWaalsContact CZ-OE2 3.28Å; R540-E564 IonicContact NE-OE1 3.72Å; R540-E564 IonicContact NE-OE2 2.61Å; R540-E564 PolarHBondContact NE-OE2 3.36Å; R540-E564 VanDerWaalsContact NH2-CD 3.34Å; R540-E564 IonicContact NH2-OE1 3.29Å; R540-E564 PolarHBondContact NH2-OE1 3Å; R540-E564 IonicContact NH2-OE2 3.11Å; R540-E564 PolarHBondContact NH2-OE2 3.11Å; R540-E564 PolarHBondContact O-N 3.28Å; R540-E564 VanDerWaalsContact O-N 3.11Å
541	L	96.2	Very high	92.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.4	173.9	-58.3	177.4	0	0	0	109.2	L512 A514 V538 V552 V555 V561 L562 I563	L512-L541 HydrophobicContact CB-CD1 4.4Å; L512-L541 HydrophobicContact CD2-CD1 4.24Å; L512-L541 HydrophobicContact CD2-CD2 3.61Å; L512-L541 HydrophobicContact CG-CD1 4.11Å; L512-L541 HydrophobicContact CG-CD2 4.24Å; L512-L541 WeakPolarHBondContact O-CD1 3.25Å; A514-L541 HydrophobicContact CB-CG 4.39Å; V538-L541 HydrophobicContact CG1-CD2 3.55Å; V538-L541 HydrophobicContact CG1-CG 4.1Å; L541-V552 HydrophobicContact CB-CG2 3.94Å; L541-V552 WeakPolarHBondContact CB-O 3.45Å; L541-V552 PolarHBondContact O-N 3.11Å; L541-V555 HydrophobicContact CB-CG2 4.44Å; L541-V555 HydrophobicContact CD1-CG2 4.27Å; L541-V561 HydrophobicContact CB-CG2 4.11Å; L541-V561 HydrophobicContact CD2-CG2 3.88Å; L541-V561 HydrophobicContact CG-CG2 4.46Å; L541-L562 WeakPolarHBondContact CA-O 3.41Å; L541-I563 HydrophobicContact CD2-CB 4.28Å; L541-I563 HydrophobicContact CD2-CG1 4.01Å; L541-I563 HydrophobicContact CD2-CG2 3.95Å
542	W	94.6	Very high	92.8	Very high	36 Å²	36	41.4 Å²	41.4	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.7	-179.6	-50	84.5	0	0	0	112	R540 Q549 L550 E551 L562	R540-W542 HydrophobicContact CB-CZ2 4.26Å; W542-Q549 HydrophobicContact CB-CB 4.22Å; W542-Q549 HydrophobicContact CD2-CB 4.2Å; W542-Q549 HydrophobicContact CE3-CB 3.63Å; W542-Q549 HydrophobicContact CG-CB 4.48Å; W542-Q549 HydrophobicContact CZ3-CB 4.34Å; W542-L550 CarbonylContact C-O 2.76Å; W542-L550 WeakPolarHBondContact CA-O 3.5Å; W542-E551 HydrophobicContact CD2-CB 4.38Å; W542-E551 HydrophobicContact CD2-CG 4.44Å; W542-E551 HydrophobicContact CE3-CB 3.72Å; W542-E551 HydrophobicContact CE3-CG 4.23Å; W542-E551 HydrophobicContact CH2-CB 3.88Å; W542-E551 HydrophobicContact CH2-CG 3.97Å; W542-E551 WeakPolarHBondContact CH2-OE2 3.47Å; W542-E551 HydrophobicContact CZ2-CG 4.21Å; W542-E551 HydrophobicContact CZ3-CB 3.45Å; W542-E551 VanDerWaalsContact CZ3-CB 3.45Å; W542-E551 HydrophobicContact CZ3-CG 4.02Å; W542-L562 HydrophobicContact CB-CB 3.97Å; W542-L562 HydrophobicContact CB-CD1 4.32Å; W542-L562 PolarHBondContact N-O 3.19Å; W542-L562 PolarHBondContact O-N 3.25Å
543	V	94.3	Very high	93.1	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.7	163.9	179	0	0	0	0	107.7	L122 M126 S190 L550 V552	L122-V543 HydrophobicContact CD2-CG1 4.42Å; M126-V543 HydrophobicContact CE-CG2 3.75Å; M126-V543 HydrophobicContact SD-CG2 3.95Å; S190-V543 WeakPolarHBondContact OG-CG1 3.25Å; V543-L550 HydrophobicContact CB-CB 4.31Å; V543-L550 PolarHBondContact N-O 3.39Å; V543-L550 PolarHBondContact O-N 2.96Å; V543-V552 HydrophobicContact CG2-CG1 3.96Å; V543-V552 HydrophobicContact CG2-CG2 4.07Å
544	S	92.5	Very high	93.3	Very high	11 Å²	11	49.6 Å²	49.6	8%	0.077	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	134.9	-175.2	-168.8	0	0	0	0	112.2	P188 S190	P188-S544 PolarHBondContact O-OG 3.02Å; S190-S544 PolarHBondContact N-O 3.15Å; S190-S544 PolarHBondContact OG-O 3.49Å
545	V	92	Very high	93.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	49.1	171	-161.5	0	0	0	0	109.1	V189 L191 R547 Y548 L550	V189-V545 HydrophobicContact CG1-CG1 3.64Å; L191-V545 HydrophobicContact CD2-CG1 3.83Å; V545-R547 PolarHBondContact O-N 3.44Å; V545-Y548 CarbonylContact C-O 3.53Å; V545-Y548 HydrophobicContact CB-CD1 4.14Å; V545-Y548 HydrophobicContact CB-CD2 4.36Å; V545-Y548 HydrophobicContact CB-CE1 3.63Å; V545-Y548 HydrophobicContact CB-CE2 3.89Å; V545-Y548 HydrophobicContact CB-CG 4.47Å; V545-Y548 HydrophobicContact CG1-CD1 4.48Å; V545-Y548 HydrophobicContact CG1-CE1 3.61Å; V545-Y548 HydrophobicContact CG1-CE2 4.48Å; V545-Y548 WeakPolarHBondContact CG1-OH 3.34Å; V545-Y548 HydrophobicContact CG2-CD2 4.47Å; V545-Y548 HydrophobicContact CG2-CE1 4.35Å; V545-Y548 HydrophobicContact CG2-CE2 3.77Å; V545-Y548 PolarHBondContact N-O 3.35Å; V545-Y548 VanDerWaalsContact N-O 3.09Å; V545-L550 HydrophobicContact CG2-CD1 4.39Å
546	A	89.2	Confident	93.6	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.041	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-91.4	-173	0	0	0	0	0	114.5	Y170 T171 F173 T187 P188 V189	Y170-A546 HydrophobicContact CD1-CB 3.99Å; Y170-A546 HydrophobicContact CE1-CB 4.08Å; T171-A546 HydrophobicContact CG2-CB 4.41Å; F173-A546 HydrophobicContact CD1-CB 4.35Å; T187-A546 HydrophobicContact CG2-CB 3.57Å; P188-A546 PolarHBondContact O-N 2.88Å; V189-A546 HydrophobicContact CG2-CB 4.06Å
547	R	90.5	Very high	93.6	Very high	40 Å²	40	36.9 Å²	36.9	15%	0.151	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.5	-170.8	-58.8	-168.7	-178	177	-5.7	114.3	Y107 T108 E109 L168 R169 Y170 F173 V545	Y107-R547 WeakPolarHBondContact O-CG 3.44Å; T108-R547 CarbonylContact C-O 3.6Å; T108-R547 WeakPolarHBondContact CA-O 3.41Å; E109-R547 HydrophobicContact CG-CB 4.26Å; E109-R547 PolarHBondContact N-O 2.98Å; L168-R547 PolarHBondContact O-NH2 3.37Å; R169-R547 PolarHBondContact O-NH2 3.46Å; Y170-R547 HydrophobicContact CD1-CG 4.07Å; Y170-R547 HydrophobicContact CD2-CG 4.31Å; Y170-R547 HydrophobicContact CE1-CB 3.96Å; Y170-R547 HydrophobicContact CE1-CG 3.76Å; Y170-R547 HydrophobicContact CE2-CB 4.29Å; Y170-R547 VanDerWaalsContact CE2-CD 3.49Å; Y170-R547 HydrophobicContact CE2-CG 3.97Å; Y170-R547 HydrophobicContact CG-CG 4.37Å; Y170-R547 PolarHBondContact O-NE 3.32Å; F173-R547 HydrophobicContact CB-CG 3.97Å; V545-R547 PolarHBondContact O-N 3.44Å
548	Y	91.2	Very high	93.5	Very high	6 Å²	6	33 Å²	33	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	161.3	172.4	74.3	-86	0	0	0	110.8	I112 P113 H157 V545 L550	I112-Y548 HydrophobicContact CG2-CD2 4.32Å; I112-Y548 HydrophobicContact CG2-CE2 4.07Å; P113-Y548 HydrophobicContact CG-CD1 3.62Å; P113-Y548 HydrophobicContact CG-CE1 3.42Å; P113-Y548 VanDerWaalsContact CG-CE1 3.42Å; P113-Y548 HydrophobicContact CG-CG 4.3Å; H157-Y548 AromaticContact NE2-CE1 3.52Å; H157-Y548 AromaticContact NE2-CZ 3.65Å; H157-Y548 PolarHBondContact NE2-OH 3.4Å; V545-Y548 CarbonylContact C-O 3.53Å; V545-Y548 HydrophobicContact CB-CD1 4.14Å; V545-Y548 HydrophobicContact CB-CD2 4.36Å; V545-Y548 HydrophobicContact CB-CE1 3.63Å; V545-Y548 HydrophobicContact CB-CE2 3.89Å; V545-Y548 HydrophobicContact CB-CG 4.47Å; V545-Y548 HydrophobicContact CG1-CD1 4.48Å; V545-Y548 HydrophobicContact CG1-CE1 3.61Å; V545-Y548 HydrophobicContact CG1-CE2 4.48Å; V545-Y548 WeakPolarHBondContact CG1-OH 3.34Å; V545-Y548 HydrophobicContact CG2-CD2 4.47Å; V545-Y548 HydrophobicContact CG2-CE1 4.35Å; V545-Y548 HydrophobicContact CG2-CE2 3.77Å; V545-Y548 PolarHBondContact N-O 3.35Å; V545-Y548 VanDerWaalsContact N-O 3.09Å; Y548-L550 HydrophobicContact CD2-CD2 4.21Å; Y548-L550 HydrophobicContact CD2-CG 4.31Å; Y548-L550 HydrophobicContact CE2-CD1 4.33Å; Y548-L550 HydrophobicContact CE2-CD2 3.85Å; Y548-L550 HydrophobicContact CE2-CG 3.87Å
549	Q	90.8	Very high	93.6	Very high	65 Å²	65	33 Å²	33	30%	0.304	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	135.5	-177.2	-63.5	177.5	-4.1	0	0	108.6	W542 L562	W542-Q549 HydrophobicContact CB-CB 4.22Å; W542-Q549 HydrophobicContact CD2-CB 4.2Å; W542-Q549 HydrophobicContact CE3-CB 3.63Å; W542-Q549 HydrophobicContact CG-CB 4.48Å; W542-Q549 HydrophobicContact CZ3-CB 4.34Å; Q549-L562 HydrophobicContact CG-CD1 4.46Å
550	L	91.9	Very high	93.7	Very high	14 Å²	14	31.6 Å²	31.6	7%	0.073	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.3	176	-64.6	173.2	0	0	0	108.9	I112 L122 W542 V543 V545 Y548	I112-L550 HydrophobicContact CD1-CD2 3.68Å; I112-L550 HydrophobicContact CG1-CD2 3.99Å; I112-L550 HydrophobicContact CG2-CD2 3.96Å; L122-L550 HydrophobicContact CD1-CD1 4.3Å; W542-L550 CarbonylContact C-O 2.76Å; W542-L550 WeakPolarHBondContact CA-O 3.5Å; V543-L550 HydrophobicContact CB-CB 4.31Å; V543-L550 PolarHBondContact N-O 3.39Å; V543-L550 PolarHBondContact O-N 2.96Å; V545-L550 HydrophobicContact CG2-CD1 4.39Å; Y548-L550 HydrophobicContact CD2-CD2 4.21Å; Y548-L550 HydrophobicContact CD2-CG 4.31Å; Y548-L550 HydrophobicContact CE2-CD1 4.33Å; Y548-L550 HydrophobicContact CE2-CD2 3.85Å; Y548-L550 HydrophobicContact CE2-CG 3.87Å
551	E	94	Very high	93.7	Very high	110 Å²	110	26.5 Å²	26.5	51%	0.514	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.2	175.7	-161.6	173.5	166.1	0	0	110	R540 W542	R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; W542-E551 HydrophobicContact CD2-CB 4.38Å; W542-E551 HydrophobicContact CD2-CG 4.44Å; W542-E551 HydrophobicContact CE3-CB 3.72Å; W542-E551 HydrophobicContact CE3-CG 4.23Å; W542-E551 HydrophobicContact CH2-CB 3.88Å; W542-E551 HydrophobicContact CH2-CG 3.97Å; W542-E551 WeakPolarHBondContact CH2-OE2 3.47Å; W542-E551 HydrophobicContact CZ2-CG 4.21Å; W542-E551 HydrophobicContact CZ3-CB 3.45Å; W542-E551 VanDerWaalsContact CZ3-CB 3.45Å; W542-E551 HydrophobicContact CZ3-CG 4.02Å
552	V	94.3	Very high	93.7	Very high	15 Å²	15	26.6 Å²	26.6	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.2	179.8	-66.6	0	0	0	0	110.7	T123 L541 V543 V555	T123-V552 HydrophobicContact CG2-CG1 4.24Å; L541-V552 HydrophobicContact CB-CG2 3.94Å; L541-V552 WeakPolarHBondContact CB-O 3.45Å; L541-V552 PolarHBondContact O-N 3.11Å; V543-V552 HydrophobicContact CG2-CG1 3.96Å; V543-V552 HydrophobicContact CG2-CG2 4.07Å; V552-V555 HydrophobicContact CG2-CG2 3.54Å
553	N	94.7	Very high	93.8	Very high	131 Å²	131	24.9 Å²	24.9	70%	0.701	12%	0.118	S	C	*	.	S	Bend	trans	-79.3	-27.6	179.8	-67.8	-34.4	0	0	0	112.9	A514	A514-N553 PolarHBondContact N-O 3.31Å
554	R	94.7	Very high	93.8	Very high	110 Å²	110	26.6 Å²	26.6	42%	0.415	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	148.5	-178.5	69.8	-179.8	177.9	102.8	6.2	111.1	D127 T511 L512 F513	D127-R554 IonicContact OD1-CZ 3.76Å; D127-R554 IonicContact OD1-NH1 3.85Å; D127-R554 PolarHBondContact OD1-NH1 3.05Å; D127-R554 IonicContact OD1-NH2 2.89Å; D127-R554 PolarHBondContact OD1-NH2 3.06Å; D127-R554 IonicContact OD2-CZ 3.03Å; D127-R554 IonicContact OD2-NH1 4Å; D127-R554 IonicContact OD2-NH2 2.76Å; D127-R554 PolarHBondContact OD2-NH2 3.18Å; T511-R554 HydrophobicContact CG2-CB 3.89Å; T511-R554 HydrophobicContact CG2-CG 4.33Å; L512-R554 CarbonylContact O-C 3.45Å; L512-R554 WeakPolarHBondContact O-CA 3.45Å; F513-R554 HydrophobicContact CD1-CB 3.66Å; F513-R554 HydrophobicContact CE1-CB 3.76Å; F513-R554 HydrophobicContact CE1-CG 4.46Å; F513-R554 HydrophobicContact CG-CB 4.44Å
555	V	95.5	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.3	171.7	-178.6	0	0	0	0	110.2	M126 V507 L512 L541 V552 N559 V561	M126-V555 HydrophobicContact CE-CB 4.37Å; M126-V555 HydrophobicContact CE-CG1 3.83Å; M126-V555 HydrophobicContact CE-CG2 4.07Å; V507-V555 HydrophobicContact CG2-CB 4.43Å; V507-V555 HydrophobicContact CG2-CG1 4.03Å; L512-V555 PolarHBondContact N-O 3.1Å; L512-V555 PolarHBondContact O-N 2.91Å; L541-V555 HydrophobicContact CB-CG2 4.44Å; L541-V555 HydrophobicContact CD1-CG2 4.27Å; V552-V555 HydrophobicContact CG2-CG2 3.54Å; V555-N559 HydrophobicContact CG1-CB 3.64Å; V555-V561 HydrophobicContact CB-CB 4.3Å; V555-V561 HydrophobicContact CB-CG2 4.23Å; V555-V561 HydrophobicContact CG1-CB 4.12Å; V555-V561 HydrophobicContact CG2-CB 4.1Å; V555-V561 HydrophobicContact CG2-CG2 3.68Å
556	P	95.8	Very high	93.7	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	165.3	179.8	33.7	-35.2	0	0	0	112.6	M126 N559	M126-P556 HydrophobicContact CB-CG 4.18Å; M126-P556 VanDerWaalsContact O-CG 3.25Å; M126-P556 WeakPolarHBondContact O-CG 3.48Å; P556-N559 PolarHBondContact O-ND2 3.05Å
557	A	94.6	Very high	93.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139	177.8	0	0	0	0	0	113.4	V507 G510	V507-A557 HydrophobicContact CG1-CB 4.38Å; G510-A557 WeakPolarHBondContact O-CB 3.15Å; G510-A557 PolarHBondContact O-N 3.14Å; G510-A557 VanDerWaalsContact O-N 3.08Å
558	G	92.6	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-22	-178.7	0	0	0	0	0	114.2	N134 V507	N134-G558 PolarHBondContact ND2-O 2.92Å; V507-G558 PolarHBondContact O-N 3.23Å
559	N	95.9	Very high	93.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.181	C	C	.	.			trans	-92.8	159.1	-175.1	-66.7	-74.9	0	0	0	113.5	M126 I132 R506 V507 V555 P556	M126-N559 HydrophobicContact CE-CB 4.17Å; M126-N559 PolarHBondContact O-ND2 2.78Å; I132-N559 WeakPolarHBondContact CD1-ND2 3.5Å; I132-N559 WeakPolarHBondContact CD1-OD1 3.35Å; R506-N559 WeakPolarHBondContact CA-O 3.35Å; V507-N559 PolarHBondContact N-O 2.92Å; V555-N559 HydrophobicContact CG1-CB 3.64Å; P556-N559 PolarHBondContact O-ND2 3.05Å
560	W	96.5	Very high	93.9	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	149	168.1	-62.1	-11.6	0	0	0	111	N134 P188 N204 F206 L224 A225 F504 G505	N134-W560 HydrophobicContact CB-CZ2 3.75Å; P188-W560 HydrophobicContact CB-CE3 4.05Å; P188-W560 HydrophobicContact CB-CZ3 4.23Å; N204-W560 VanDerWaalsContact C-CZ3 3.41Å; N204-W560 HydrophobicContact CB-CD2 3.75Å; N204-W560 HydrophobicContact CB-CE3 3.58Å; N204-W560 HydrophobicContact CB-CG 4.37Å; N204-W560 HydrophobicContact CB-CH2 4.07Å; N204-W560 HydrophobicContact CB-CZ2 4.26Å; N204-W560 HydrophobicContact CB-CZ3 3.75Å; N204-W560 WeakPolarHBondContact O-CH2 3.4Å; F206-W560 HydrophobicContact CB-CH2 4.17Å; F206-W560 HydrophobicContact CB-CZ3 4.41Å; F206-W560 HydrophobicContact CD2-CE3 4.15Å; F206-W560 AromaticContact CD2-CH2 3.06Å; F206-W560 HydrophobicContact CD2-CH2 3.06Å; F206-W560 AromaticContact CD2-CZ2 3.56Å; F206-W560 HydrophobicContact CD2-CZ2 3.56Å; F206-W560 AromaticContact CD2-CZ3 3.38Å; F206-W560 HydrophobicContact CD2-CZ3 3.38Å; F206-W560 HydrophobicContact CE2-CD2 4.23Å; F206-W560 HydrophobicContact CE2-CE3 4.03Å; F206-W560 AromaticContact CE2-CH2 3.64Å; F206-W560 HydrophobicContact CE2-CH2 3.64Å; F206-W560 AromaticContact CE2-CZ2 3.8Å; F206-W560 HydrophobicContact CE2-CZ2 3.8Å; F206-W560 AromaticContact CE2-CZ3 3.73Å; F206-W560 HydrophobicContact CE2-CZ3 3.73Å; F206-W560 AromaticContact CG-CH2 3.79Å; F206-W560 HydrophobicContact CG-CH2 3.79Å; F206-W560 AromaticContact CG-CZ3 3.84Å; F206-W560 HydrophobicContact CG-CZ3 3.84Å; F206-W560 HydrophobicContact CZ-CZ3 4.49Å; L224-W560 PolarHBondContact O-NE1 2.64Å; A225-W560 HydrophobicContact CB-CZ2 4.28Å; F504-W560 HydrophobicContact CE1-CB 4.21Å; F504-W560 HydrophobicContact CE1-CD2 4.19Å; F504-W560 HydrophobicContact CE1-CE3 4.26Å; F504-W560 HydrophobicContact CE1-CG 4.19Å; F504-W560 HydrophobicContact CE2-CB 3.97Å; F504-W560 HydrophobicContact CZ-CB 3.48Å; F504-W560 VanDerWaalsContact CZ-CB 3.48Å; F504-W560 AromaticContact CZ-CD2 3.83Å; F504-W560 HydrophobicContact CZ-CD2 3.83Å; F504-W560 AromaticContact CZ-CE3 3.66Å; F504-W560 HydrophobicContact CZ-CE3 3.66Å; F504-W560 AromaticContact CZ-CG 3.79Å; F504-W560 HydrophobicContact CZ-CG 3.79Å; G505-W560 CarbonylContact O-C 3.52Å; G505-W560 WeakPolarHBondContact O-CA 3.3Å
561	V	96.3	Very high	93.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	141	-176.2	60.3	0	0	0	0	111.1	F504 G505 V507 L512 L541 V555 I563	F504-V561 WeakPolarHBondContact CA-O 3.18Å; F504-V561 WeakPolarHBondContact CD2-O 3.33Å; G505-V561 PolarHBondContact N-O 2.81Å; G505-V561 PolarHBondContact O-N 2.61Å; V507-V561 HydrophobicContact CG2-CG1 3.98Å; L512-V561 HydrophobicContact CD2-CG1 4.48Å; L541-V561 HydrophobicContact CB-CG2 4.11Å; L541-V561 HydrophobicContact CD2-CG2 3.88Å; L541-V561 HydrophobicContact CG-CG2 4.46Å; V555-V561 HydrophobicContact CB-CB 4.3Å; V555-V561 HydrophobicContact CB-CG2 4.23Å; V555-V561 HydrophobicContact CG1-CB 4.12Å; V555-V561 HydrophobicContact CG2-CB 4.1Å; V555-V561 HydrophobicContact CG2-CG2 3.68Å; V561-I563 HydrophobicContact CG1-CD1 3.99Å; V561-I563 HydrophobicContact CG1-CG1 3.87Å; V561-I563 HydrophobicContact CG2-CG1 3.99Å
562	L	95.8	Very high	93.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.8	161.9	-74	170.8	0	0	0	108.9	Y493 H502 V503 F504 L541 W542 Q549	Y493-L562 HydrophobicContact CD2-CD2 3.63Å; Y493-L562 HydrophobicContact CE2-CD2 4.3Å; H502-L562 HydrophobicContact CB-CB 4.41Å; H502-L562 HydrophobicContact CB-CD2 3.96Å; V503-L562 CarbonylContact O-C 3.57Å; V503-L562 WeakPolarHBondContact O-CA 3.17Å; F504-L562 HydrophobicContact CB-CD2 3.87Å; F504-L562 HydrophobicContact CD2-CD2 3.55Å; F504-L562 HydrophobicContact CD2-CG 3.82Å; F504-L562 HydrophobicContact CE2-CG 4.47Å; F504-L562 HydrophobicContact CG-CD2 4.18Å; L541-L562 WeakPolarHBondContact CA-O 3.41Å; W542-L562 HydrophobicContact CB-CB 3.97Å; W542-L562 HydrophobicContact CB-CD1 4.32Å; W542-L562 PolarHBondContact N-O 3.19Å; W542-L562 PolarHBondContact O-N 3.25Å; Q549-L562 HydrophobicContact CG-CD1 4.46Å
563	I	96.1	Very high	93.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.6	-174.2	-48.6	170.4	0	0	0	108.8	V487 V503 L512 V538 L541 V561 I566 I576	V487-I563 HydrophobicContact CG1-CD1 4.28Å; V503-I563 HydrophobicContact CB-CB 4.48Å; V503-I563 PolarHBondContact N-O 3.05Å; V503-I563 PolarHBondContact O-N 3.17Å; L512-I563 HydrophobicContact CD2-CD1 3.62Å; L512-I563 HydrophobicContact CD2-CG1 3.92Å; V538-I563 HydrophobicContact CG1-CG2 3.9Å; V538-I563 HydrophobicContact CG2-CG2 4.21Å; L541-I563 HydrophobicContact CD2-CB 4.28Å; L541-I563 HydrophobicContact CD2-CG1 4.01Å; L541-I563 HydrophobicContact CD2-CG2 3.95Å; V561-I563 HydrophobicContact CG1-CD1 3.99Å; V561-I563 HydrophobicContact CG1-CG1 3.87Å; V561-I563 HydrophobicContact CG2-CG1 3.99Å; I563-I566 HydrophobicContact CB-CD1 3.86Å; I563-I566 HydrophobicContact CB-CG1 4.14Å; I563-I566 HydrophobicContact CD1-CD1 4Å; I563-I566 HydrophobicContact CG2-CD1 3.56Å; I563-I566 HydrophobicContact CG2-CG1 3.73Å; I563-I566 HydrophobicContact CG2-CG2 4.41Å; I563-I576 HydrophobicContact CD1-CD1 3.49Å; I563-I576 VanDerWaalsContact CD1-CD1 3.49Å
564	E	95	Very high	93.5	Very high	40 Å²	40	25.5 Å²	25.5	19%	0.187	14%	0.136	C	C	.	.	S	Bend	trans	-91.7	147.1	176.9	-173.8	179.4	178.1	0	0	111.6	G539 R540	G539-E564 PolarHBondContact N-O 3.4Å; R540-E564 WeakPolarHBondContact CB-OE2 3.41Å; R540-E564 IonicContact CZ-OE1 2.7Å; R540-E564 IonicContact CZ-OE2 3.65Å; R540-E564 VanDerWaalsContact CZ-OE2 3.28Å; R540-E564 IonicContact NE-OE1 3.72Å; R540-E564 IonicContact NE-OE2 2.61Å; R540-E564 PolarHBondContact NE-OE2 3.36Å; R540-E564 VanDerWaalsContact NH2-CD 3.34Å; R540-E564 IonicContact NH2-OE1 3.29Å; R540-E564 PolarHBondContact NH2-OE1 3Å; R540-E564 IonicContact NH2-OE2 3.11Å; R540-E564 PolarHBondContact NH2-OE2 3.11Å; R540-E564 PolarHBondContact O-N 3.28Å; R540-E564 VanDerWaalsContact O-N 3.11Å
565	G	91	Very high	93.5	Very high	47 Å²	47	20.3 Å²	20.3	49%	0.485	12%	0.117	S	C	.	.	S	Bend	trans	89.8	-0.5	167.5	0	0	0	0	0	116.5
566	I	92	Very high	93.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.			trans	-115.3	12.5	-175.9	62.5	157.4	0	0	0	113.7	V503 V518 V520 A536 V538 I563 P569 I570 I576	V503-I566 HydrophobicContact CB-CD1 4.03Å; V503-I566 HydrophobicContact CB-CG1 4.03Å; V503-I566 HydrophobicContact CG1-CD1 4.12Å; V503-I566 HydrophobicContact CG2-CD1 4.3Å; V503-I566 HydrophobicContact CG2-CG1 3.87Å; V518-I566 HydrophobicContact CG2-CG2 4.28Å; V520-I566 HydrophobicContact CG2-CB 4.43Å; A536-I566 HydrophobicContact CB-CB 4.29Å; A536-I566 HydrophobicContact CB-CG2 3.84Å; V538-I566 HydrophobicContact CG2-CG2 4.44Å; I563-I566 HydrophobicContact CB-CD1 3.86Å; I563-I566 HydrophobicContact CB-CG1 4.14Å; I563-I566 HydrophobicContact CD1-CD1 4Å; I563-I566 HydrophobicContact CG2-CD1 3.56Å; I563-I566 HydrophobicContact CG2-CG1 3.73Å; I563-I566 HydrophobicContact CG2-CG2 4.41Å; I566-P569 WeakPolarHBondContact O-CD 3.34Å; I566-I570 HydrophobicContact CD1-CD1 4.4Å; I566-I570 WeakPolarHBondContact O-CD1 3Å; I566-I576 HydrophobicContact CD1-CD1 3.24Å; I566-I576 HydrophobicContact CD1-CG1 4.11Å
567	D	92.1	Very high	93.4	Very high	25 Å²	25	20.3 Å²	20.3	13%	0.134	12%	0.116	C	C	.	.			trans	-79.4	-25.2	-171.6	65.4	-39.5	0	0	0	114.3	L492 F501 V503 I570 K622	L492-D567 HydrophobicContact CD2-CB 4.27Å; F501-D567 HydrophobicContact CB-CB 3.92Å; F501-D567 PolarHBondContact N-OD2 3.08Å; F501-D567 WeakPolarHBondContact O-CB 3.4Å; V503-D567 HydrophobicContact CG2-CB 3.89Å; D567-I570 PolarHBondContact O-N 2.86Å; D567-K622 PolarHBondContact O-NZ 2.95Å
568	H	90.7	Very high	93.3	Very high	140 Å²	140	20.7 Å²	20.7	65%	0.648	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-49.8	-177.7	-169.6	-63	0	0	0	114.4	I570	H568-I570 VanDerWaalsContact C-N 3.26Å; H568-I570 PolarHBondContact O-N 3.33Å
569	P	91.1	Very high	92.9	Very high	29 Å²	29	23 Å²	23	19%	0.188	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-15.3	178.9	26.6	-33.8	0	0	0	114.2	V520 R534 I566	V520-P569 HydrophobicContact CB-CG 3.98Å; V520-P569 HydrophobicContact CG1-CB 4.36Å; V520-P569 HydrophobicContact CG1-CG 3.94Å; V520-P569 HydrophobicContact CG2-CG 4.14Å; R534-P569 HydrophobicContact CB-CB 4.18Å; R534-P569 HydrophobicContact CG-CB 4.34Å; I566-P569 WeakPolarHBondContact O-CD 3.34Å
570	I	92.2	Very high	92.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	17%	0.171	C	C	.	.			trans	-93.8	126.9	-170.9	-55.8	179.6	0	0	0	109.6	L492 V503 V520 I566 D567 H568 A574 K622	L492-I570 HydrophobicContact CD1-CG2 3.96Å; L492-I570 HydrophobicContact CD2-CB 4.33Å; L492-I570 HydrophobicContact CD2-CG2 4.19Å; V503-I570 HydrophobicContact CB-CD1 4.45Å; V503-I570 HydrophobicContact CG1-CD1 3.71Å; V503-I570 HydrophobicContact CG2-CD1 3.95Å; V520-I570 HydrophobicContact CG1-CD1 3.88Å; V520-I570 HydrophobicContact CG1-CG1 3.61Å; I566-I570 HydrophobicContact CD1-CD1 4.4Å; I566-I570 WeakPolarHBondContact O-CD1 3Å; D567-I570 PolarHBondContact O-N 2.86Å; H568-I570 VanDerWaalsContact C-N 3.26Å; H568-I570 PolarHBondContact O-N 3.33Å; I570-A574 HydrophobicContact CB-CB 4.41Å; I570-A574 HydrophobicContact CD1-CB 3.75Å; I570-A574 HydrophobicContact CG1-CB 3.69Å; I570-A574 HydrophobicContact CG2-CB 4Å; I570-K622 WeakPolarHBondContact O-CE 3.32Å
571	V	89	Confident	91.4	Very high	78 Å²	78	29.3 Å²	29.3	47%	0.473	17%	0.173	S	C	.	.	S	Bend	trans	-95.6	-56.4	171.3	-170.6	0	0	0	0	110.4	K622	V571-K622 VanDerWaalsContact O-CA 3.3Å; V571-K622 WeakPolarHBondContact O-CA 3.4Å
572	K	89.9	Confident	90.6	Very high	43 Å²	43	40.8 Å²	40.8	19%	0.187	22%	0.216	C	C	.	.	S	Bend	trans	-129	-75.6	-176.7	-65.2	-178.9	176.2	-156.4	0	111.4	L492 N621 P625 L627	L492-K572 WeakPolarHBondContact CD1-O 3.42Å; K572-N621 WeakPolarHBondContact CE-OD1 3.25Å; K572-P625 WeakPolarHBondContact CD-O 3.28Å; K572-P625 WeakPolarHBondContact CE-O 3.32Å; K572-P625 PolarHBondContact NZ-O 2.86Å; K572-L627 WeakPolarHBondContact CE-O 3.42Å; K572-L627 PolarHBondContact NZ-O 3.1Å
573	T	92.8	Very high	89.9	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.043	23%	0.233	C	C	.	.			trans	-109.7	153	172.6	68.5	0	0	0	0	111.1	T489 E523 L590	T489-T573 WeakPolarHBondContact O-CA 3.34Å; T489-T573 WeakPolarHBondContact O-CB 3.19Å; E523-T573 WeakPolarHBondContact CG-OG1 3.38Å; E523-T573 WeakPolarHBondContact OE1-CB 3.42Å; E523-T573 PolarHBondContact OE1-N 3.37Å; E523-T573 VanDerWaalsContact OE1-N 3.13Å; E523-T573 PolarHBondContact OE1-OG1 2.89Å; T573-L590 HydrophobicContact CG2-CD1 3.83Å; T573-L590 HydrophobicContact CG2-CD2 4.33Å; T573-L590 HydrophobicContact CG2-CG 3.62Å
574	A	93.7	Very high	89.5	Confident	2 Å²	2	42.4 Å²	42.4	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.7	172	0	0	0	0	0	110.8	T489 V520 L521 I570	T489-A574 PolarHBondContact N-O 3.21Å; T489-A574 PolarHBondContact O-N 3.22Å; T489-A574 WeakPolarHBondContact OG1-CB 3.28Å; T489-A574 PolarHBondContact OG1-N 2.73Å; T489-A574 VanDerWaalsContact OG1-N 3.14Å; T489-A574 PolarHBondContact OG1-O 3.25Å; T489-A574 VanDerWaalsContact OG1-O 3.12Å; V520-A574 HydrophobicContact CG1-CB 3.86Å; L521-A574 WeakPolarHBondContact O-CA 3.29Å; L521-A574 WeakPolarHBondContact O-CB 3.44Å; I570-A574 HydrophobicContact CB-CB 4.41Å; I570-A574 HydrophobicContact CD1-CB 3.75Å; I570-A574 HydrophobicContact CG1-CB 3.69Å; I570-A574 HydrophobicContact CG2-CB 4Å
575	T	95.3	Very high	89.3	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.8	170.7	-54	0	0	0	0	108.1	M486 V487 L521 I586 F587	M486-T575 HydrophobicContact CE-CG2 3.51Å; V487-T575 WeakPolarHBondContact O-CA 3.48Å; L521-T575 WeakPolarHBondContact CB-O 3.39Å; L521-T575 HydrophobicContact CD1-CG2 4.45Å; L521-T575 PolarHBondContact N-O 3.16Å; L521-T575 PolarHBondContact O-N 3.33Å; T575-I586 WeakPolarHBondContact OG1-CA 3.28Å; T575-F587 HydrophobicContact CG2-CD2 3.57Å; T575-F587 HydrophobicContact CG2-CE2 3.61Å; T575-F587 WeakPolarHBondContact OG1-CD2 3.3Å; T575-F587 PolarHBondContact OG1-N 2.76Å
576	I	94.7	Very high	89.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.9	176.7	-50.8	164.3	0	0	0	107.7	M486 V487 T489 V518 I563 I566	M486-I576 WeakPolarHBondContact CA-O 3.47Å; V487-I576 HydrophobicContact CB-CB 4Å; V487-I576 HydrophobicContact CB-CD1 4.13Å; V487-I576 HydrophobicContact CB-CG1 4.44Å; V487-I576 HydrophobicContact CG1-CD1 4.32Å; V487-I576 HydrophobicContact CG2-CB 4.35Å; V487-I576 PolarHBondContact N-O 2.86Å; V487-I576 PolarHBondContact O-N 3.31Å; T489-I576 HydrophobicContact CG2-CD1 3.5Å; T489-I576 VanDerWaalsContact CG2-CD1 3.5Å; T489-I576 HydrophobicContact CG2-CG1 4.05Å; V518-I576 HydrophobicContact CB-CG2 3.56Å; V518-I576 HydrophobicContact CG1-CG2 4Å; V518-I576 HydrophobicContact CG2-CG2 3.63Å; I563-I576 HydrophobicContact CD1-CD1 3.49Å; I563-I576 VanDerWaalsContact CD1-CD1 3.49Å; I566-I576 HydrophobicContact CD1-CD1 3.24Å; I566-I576 HydrophobicContact CD1-CG1 4.11Å
577	T	94	Very high	89.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162	176.5	-174.1	0	0	0	0	111.4	V485 M486 V518 R519 L521 A581 A584	V485-T577 VanDerWaalsContact O-CA 3.26Å; V485-T577 WeakPolarHBondContact O-CA 3.23Å; M486-T577 PolarHBondContact SD-OG1 3.3Å; V518-T577 CarbonylContact C-O 3.54Å; V518-T577 WeakPolarHBondContact CA-O 3.41Å; R519-T577 HydrophobicContact CB-CG2 3.97Å; R519-T577 PolarHBondContact N-O 3.36Å; R519-T577 PolarHBondContact O-N 3.24Å; L521-T577 HydrophobicContact CD1-CG2 4.11Å; L521-T577 HydrophobicContact CD2-CG2 4.49Å; L521-T577 HydrophobicContact CG-CG2 4.26Å; T577-A581 HydrophobicContact CG2-CB 4.42Å; T577-A581 WeakPolarHBondContact OG1-CB 3.27Å; T577-A584 HydrophobicContact CG2-CB 4.31Å
578	S	91.8	Very high	89.5	Confident	10 Å²	10	46.8 Å²	46.8	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.6	168.3	-61.1	0	0	0	0	111.1	H484 V485 D580 A581	H484-S578 WeakPolarHBondContact CA-OG 3.46Å; V485-S578 PolarHBondContact N-OG 2.58Å; V485-S578 PolarHBondContact O-N 2.72Å; S578-D580 PolarHBondContact O-N 3.49Å; S578-A581 WeakPolarHBondContact O-CB 3.36Å; S578-A581 PolarHBondContact O-N 2.84Å; S578-A581 VanDerWaalsContact O-N 3.13Å
579	A	84.5	Confident	89.5	Confident	48 Å²	48	42.9 Å²	42.9	40%	0.397	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.2	-177.2	0	0	0	0	0	113.7
580	D	82.8	Confident	89.5	Confident	130 Å²	130	42.3 Å²	42.3	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.8	-176.5	-59.8	-40.9	0	0	0	114.5	S578 R582	S578-D580 PolarHBondContact O-N 3.49Å; D580-R582 PolarHBondContact O-N 3Å
581	A	79.2	Confident	89.3	Confident	7 Å²	7	44.2 Å²	44.2	6%	0.058	23%	0.226	C	C	.	.			trans	-73.9	96.6	-174	0	0	0	0	0	111.6	H484 T577 S578	H484-A581 HydrophobicContact CB-CB 4.3Å; T577-A581 HydrophobicContact CG2-CB 4.42Å; T577-A581 WeakPolarHBondContact OG1-CB 3.27Å; S578-A581 WeakPolarHBondContact O-CB 3.36Å; S578-A581 PolarHBondContact O-N 2.84Å; S578-A581 VanDerWaalsContact O-N 3.13Å
582	R	79	Confident	89.3	Confident	241 Å²	241	42.9 Å²	42.9	91%	0.909	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	136.4	174.3	-63.5	-174.9	-177.9	-173.7	-0.1	111.3	D580	D580-R582 PolarHBondContact O-N 3Å
583	G	81.3	Confident	89	Confident	35 Å²	35	42.1 Å²	42.1	36%	0.361	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	19.7	177.2	0	0	0	0	0	114.8	Y585	G583-Y585 WeakPolarHBondContact O-CD2 3.41Å
584	A	87.5	Confident	88.7	Confident	2 Å²	2	42.3 Å²	42.3	2%	0.017	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.2	123.7	171.7	0	0	0	0	0	110.1	L471 M486 L521 Y525 T577	L471-A584 HydrophobicContact CD2-CB 4.15Å; M486-A584 HydrophobicContact SD-CB 4.43Å; L521-A584 HydrophobicContact CD1-CB 4.35Å; Y525-A584 WeakPolarHBondContact CE1-O 3.21Å; T577-A584 HydrophobicContact CG2-CB 4.31Å
585	Y	91.4	Very high	88.3	Confident	72 Å²	72	44.7 Å²	44.7	28%	0.282	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-88.3	167.1	170.4	-66.8	-103.8	0	0	0	111.4	Y463 T464 G465 L527 G583	Y463-Y585 VanDerWaalsContact CE2-O 3.28Å; Y463-Y585 WeakPolarHBondContact CE2-O 3.42Å; Y463-Y585 PolarHBondContact OH-N 2.77Å; T464-Y585 WeakPolarHBondContact OG1-CB 3.48Å; G465-Y585 VanDerWaalsContact CA-CG 3.41Å; L527-Y585 HydrophobicContact CD1-CD1 4.48Å; L527-Y585 HydrophobicContact CD1-CD2 4.44Å; L527-Y585 HydrophobicContact CD1-CE1 3.7Å; L527-Y585 HydrophobicContact CD1-CE2 3.65Å; L527-Y585 WeakPolarHBondContact CD1-OH 3.48Å; L527-Y585 HydrophobicContact CG-CD1 4.3Å; L527-Y585 HydrophobicContact CG-CE1 3.88Å; L527-Y585 HydrophobicContact CG-CE2 4.32Å; G583-Y585 WeakPolarHBondContact O-CD2 3.41Å
586	I	93.5	Very high	88.1	Confident	15 Å²	15	45.7 Å²	45.7	8%	0.077	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.7	158.8	173	62.1	170.3	0	0	0	112.4	T464 L521 G522 E523 Y525 T575	T464-I586 WeakPolarHBondContact CB-O 3.45Å; T464-I586 HydrophobicContact CG2-CG1 4.28Å; T464-I586 WeakPolarHBondContact CG2-O 3.41Å; T464-I586 PolarHBondContact N-O 2.94Å; T464-I586 VanDerWaalsContact N-O 3.16Å; T464-I586 PolarHBondContact OG1-O 2.9Å; L521-I586 HydrophobicContact CB-CG2 3.77Å; L521-I586 HydrophobicContact CD1-CG2 4.36Å; G522-I586 WeakPolarHBondContact O-CG2 3.48Å; E523-I586 VanDerWaalsContact O-CD1 3.32Å; E523-I586 WeakPolarHBondContact O-CD1 3.34Å; Y525-I586 HydrophobicContact CD1-CG2 3.67Å; Y525-I586 HydrophobicContact CG-CG2 4.22Å; T575-I586 WeakPolarHBondContact OG1-CA 3.28Å
587	F	93.8	Very high	87.8	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.018	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-74.3	149.4	158.2	-64.5	-75.9	0	0	0	110.2	T462 Y463 M475 M486 H488 L508 T575	T462-F587 CarbonylContact O-C 3.57Å; T462-F587 WeakPolarHBondContact O-CA 3.02Å; Y463-F587 AromaticContact CD2-CD1 3.92Å; Y463-F587 HydrophobicContact CD2-CD1 3.92Å; Y463-F587 AromaticContact CD2-CE1 3.65Å; Y463-F587 HydrophobicContact CD2-CE1 3.65Å; Y463-F587 HydrophobicContact CD2-CZ 4.05Å; Y463-F587 HydrophobicContact CG-CE1 4.3Å; M475-F587 HydrophobicContact SD-CE1 4.41Å; M475-F587 HydrophobicContact SD-CZ 3.92Å; M486-F587 HydrophobicContact CE-CE2 4.06Å; M486-F587 HydrophobicContact CE-CZ 4.32Å; H488-F587 HydrophobicContact CB-CD2 3.6Å; H488-F587 HydrophobicContact CB-CE2 3.83Å; H488-F587 HydrophobicContact CB-CG 4.09Å; H488-F587 VanDerWaalsContact CE1-CB 3.45Å; H488-F587 WeakPolarHBondContact CE1-CB 3.37Å; H488-F587 AromaticContact CG-CD2 3.72Å; H488-F587 AromaticContact CG-CG 3.82Å; H488-F587 VanDerWaalsContact ND1-CB 3.32Å; H488-F587 WeakPolarHBondContact ND1-CB 3.46Å; H488-F587 AromaticContact ND1-CD2 3.52Å; H488-F587 AromaticContact ND1-CG 3.59Å; L508-F587 HydrophobicContact CD1-CD1 4.43Å; L508-F587 HydrophobicContact CD1-CE1 3.51Å; L508-F587 HydrophobicContact CD1-CE2 3.85Å; L508-F587 HydrophobicContact CD1-CZ 3.18Å; T575-F587 HydrophobicContact CG2-CD2 3.57Å; T575-F587 HydrophobicContact CG2-CE2 3.61Å; T575-F587 WeakPolarHBondContact OG1-CD2 3.3Å; T575-F587 PolarHBondContact OG1-N 2.76Å
588	R	90.9	Very high	87.8	Confident	112 Å²	112	45.6 Å²	45.6	42%	0.423	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-58.9	141.8	177.6	-70.8	172.8	-174.6	176.9	-1.3	110	R223 S461 T462 T464	R223-R588 PolarHBondContact NH1-O 3.27Å; S461-R588 WeakPolarHBondContact O-CD 3.36Å; S461-R588 PolarHBondContact O-NH1 3.23Å; T462-R588 WeakPolarHBondContact O-CB 3.4Å; T462-R588 WeakPolarHBondContact O-CG 3.46Å; T462-R588 PolarHBondContact O-N 3.12Å; T464-R588 HydrophobicContact CG2-CB 4.42Å; T464-R588 HydrophobicContact CG2-CG 3.5Å; T464-R588 VanDerWaalsContact CG2-CG 3.5Å
589	P	91.3	Very high	87.9	Confident	58 Å²	58	45.4 Å²	45.4	38%	0.377	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-54.1	162.6	168.3	-25.9	34.5	0	0	0	112.6	R223 E523 N591	R223-P589 PolarHBondContact NH1-O 2.74Å; R223-P589 PolarHBondContact NH2-O 3.06Å; E523-P589 HydrophobicContact CB-CG 4.43Å; E523-P589 HydrophobicContact CG-CG 4.37Å; P589-N591 PolarHBondContact O-N 2.97Å
590	L	91.2	Very high	88.3	Confident	17 Å²	17	43.9 Å²	43.9	9%	0.089	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-65.6	133.4	178.4	-65.1	176.7	0	0	0	110.7	T219 A220 R223 T490 T573 F592 P625	T219-L590 HydrophobicContact CG2-CB 4.03Å; T219-L590 HydrophobicContact CG2-CD2 4.43Å; A220-L590 HydrophobicContact CB-CD1 3.98Å; R223-L590 HydrophobicContact CB-CD2 3.72Å; R223-L590 HydrophobicContact CG-CD2 3.91Å; T490-L590 HydrophobicContact CG2-CD2 4.11Å; T573-L590 HydrophobicContact CG2-CD1 3.83Å; T573-L590 HydrophobicContact CG2-CD2 4.33Å; T573-L590 HydrophobicContact CG2-CG 3.62Å; L590-F592 HydrophobicContact CB-CE1 3.95Å; L590-F592 HydrophobicContact CB-CE2 4Å; L590-F592 HydrophobicContact CB-CZ 3.67Å; L590-F592 HydrophobicContact CD1-CE1 4.01Å; L590-F592 HydrophobicContact CD1-CZ 3.9Å; L590-F592 HydrophobicContact CG-CZ 4.42Å; L590-P625 HydrophobicContact CD1-CB 4.32Å
591	N	87.3	Confident	88.8	Confident	42 Å²	42	38.1 Å²	38.1	23%	0.225	19%	0.189	C	C	.	.			trans	-97.1	94.4	175.1	-168.4	52.8	0	0	0	109.1	T219 H248 P589 K713	T219-N591 WeakPolarHBondContact CG2-O 3.43Å; H248-N591 PolarHBondContact NE2-O 2.67Å; P589-N591 PolarHBondContact O-N 2.97Å; N591-K713 PolarHBondContact OD1-NZ 2.76Å
592	F	89.1	Confident	89.6	Confident	50 Å²	50	37.8 Å²	37.8	22%	0.219	19%	0.187	C	C	.	.			trans	-71.9	143.1	-177.1	-59.7	-71.9	0	0	0	111.8	D216 T219 L590 T594 P625 L626	D216-F592 HydrophobicContact CB-CD1 3.77Å; D216-F592 HydrophobicContact CB-CE1 3.71Å; T219-F592 HydrophobicContact CG2-CD1 3.8Å; T219-F592 HydrophobicContact CG2-CE1 4.14Å; L590-F592 HydrophobicContact CB-CE1 3.95Å; L590-F592 HydrophobicContact CB-CE2 4Å; L590-F592 HydrophobicContact CB-CZ 3.67Å; L590-F592 HydrophobicContact CD1-CE1 4.01Å; L590-F592 HydrophobicContact CD1-CZ 3.9Å; L590-F592 HydrophobicContact CG-CZ 4.42Å; F592-T594 WeakPolarHBondContact CB-O 3.44Å; F592-T594 PolarHBondContact O-N 3.19Å; F592-P625 HydrophobicContact CE1-CB 3.81Å; F592-P625 HydrophobicContact CZ-CB 3.75Å; F592-L626 HydrophobicContact CB-CD1 4.18Å; F592-L626 HydrophobicContact CB-CD2 4.41Å; F592-L626 HydrophobicContact CD1-CB 4.33Å; F592-L626 HydrophobicContact CD1-CD1 4.48Å; F592-L626 HydrophobicContact CD2-CD1 3.66Å; F592-L626 HydrophobicContact CE1-CB 4.25Å; F592-L626 HydrophobicContact CE2-CD1 4.12Å; F592-L626 HydrophobicContact CG-CD1 3.85Å; F592-L626 HydrophobicContact CG-CD2 4.44Å; F592-L626 HydrophobicContact CG-CG 4.5Å; F592-L626 HydrophobicContact CZ-CB 4.35Å
593	N	83.6	Confident	90.2	Very high	28 Å²	28	30.2 Å²	30.2	15%	0.15	16%	0.162	C	C	.	.	S	Bend	trans	-77.4	-7.7	175.6	-166.1	8.7	0	0	0	112.6	R244	R244-N593 PolarHBondContact NH2-O 3.02Å; R244-N593 PolarHBondContact O-ND2 2.88Å
594	T	86.6	Confident	90.9	Very high	10 Å²	10	29 Å²	29	6%	0.061	15%	0.148	C	C	.	.	S	Bend	trans	-139.9	160.4	-179	-167.9	0	0	0	0	110.1	S215 F592 L626 T642	S215-T594 VanDerWaalsContact OG-CG2 3.3Å; S215-T594 WeakPolarHBondContact OG-CG2 3.19Å; F592-T594 WeakPolarHBondContact CB-O 3.44Å; F592-T594 PolarHBondContact O-N 3.19Å; T594-L626 HydrophobicContact CG2-CD2 3.46Å; T594-L626 VanDerWaalsContact CG2-CD2 3.46Å; T594-T642 HydrophobicContact CG2-CG2 3.79Å
595	S	86.6	Confident	91.1	Very high	53 Å²	53	31 Å²	31	37%	0.371	16%	0.164	S	C	.	.			trans	-105.6	151.3	177.1	-59.4	0	0	0	0	110.8	V597	S595-V597 PolarHBondContact O-N 3Å
596	S	89.9	Confident	91.2	Very high	22 Å²	22	31.5 Å²	31.5	15%	0.154	17%	0.172	C	C	.	.			trans	-81.8	106.4	170	-80.4	0	0	0	0	110	L626 G641	S596-L626 WeakPolarHBondContact OG-CG 2.95Å; S596-L626 PolarHBondContact OG-O 3.32Å; S596-G641 CarbonylContact C-O 3.59Å; S596-G641 WeakPolarHBondContact CA-O 3.38Å
597	V	89.9	Confident	91.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	20%	0.199	C	C	.	.			trans	-112.4	-37.1	-169.3	177.3	0	0	0	0	112.3	S595 G641 V670 A671 P840 V887 F911	S595-V597 PolarHBondContact O-N 3Å; V597-G641 PolarHBondContact N-O 2.74Å; V597-V670 WeakPolarHBondContact O-CA 3.21Å; V597-A671 PolarHBondContact O-N 3.3Å; V597-P840 HydrophobicContact CG1-CB 3.36Å; V597-P840 HydrophobicContact CG1-CG 3.13Å; V597-P840 HydrophobicContact CG2-CB 4.48Å; V597-V887 HydrophobicContact CG1-CB 4.4Å; V597-V887 HydrophobicContact CG1-CG1 4.21Å; V597-V887 HydrophobicContact CG1-CG2 4.14Å; V597-F911 HydrophobicContact CG2-CB 4.31Å; V597-F911 HydrophobicContact CG2-CD1 4.45Å; V597-F911 HydrophobicContact CG2-CD2 3.59Å; V597-F911 HydrophobicContact CG2-CE2 4.04Å; V597-F911 HydrophobicContact CG2-CG 3.82Å
598	V	93.5	Very high	91.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	131.6	178.2	-174.8	0	0	0	0	108.6	R640 G641 L647 P668 Y842 V887 F891	V598-R640 CarbonylContact O-C 3.22Å; V598-R640 VanDerWaalsContact O-CA 3.24Å; V598-R640 WeakPolarHBondContact O-CA 3.39Å; V598-G641 PolarHBondContact N-O 2.95Å; V598-G641 PolarHBondContact O-N 3.46Å; V598-L647 HydrophobicContact CB-CD1 3.66Å; V598-L647 HydrophobicContact CG1-CD1 3.36Å; V598-P668 HydrophobicContact CG1-CB 3.99Å; V598-Y842 WeakPolarHBondContact CG2-OH 3.36Å; V598-V887 HydrophobicContact CG2-CG1 3.99Å; V598-F891 HydrophobicContact CB-CE1 4.48Å; V598-F891 HydrophobicContact CG1-CE1 3.62Å; V598-F891 HydrophobicContact CG1-CZ 3.87Å; V598-F891 HydrophobicContact CG2-CE1 4.03Å; V598-F891 HydrophobicContact CG2-CZ 4.48Å
599	K	92.6	Very high	91.2	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.5	-176.1	169.3	-178.2	169	176.4	0	108.8	E632 V638 I639 V669	K599-E632 IonicContact NZ-OE1 3.17Å; K599-E632 PolarHBondContact NZ-OE1 3.16Å; K599-E632 IonicContact NZ-OE2 2.81Å; K599-E632 PolarHBondContact NZ-OE2 3.12Å; K599-V638 HydrophobicContact CD-CG1 3.77Å; K599-V638 HydrophobicContact CG-CG1 3.4Å; K599-V638 VanDerWaalsContact CG-CG1 3.4Å; K599-I639 WeakPolarHBondContact CA-O 3.27Å; K599-V669 HydrophobicContact CB-CG2 3.89Å; K599-V669 HydrophobicContact CD-CG2 3.98Å; K599-V669 HydrophobicContact CG-CG2 3.85Å; K599-V669 PolarHBondContact N-O 3.17Å; K599-V669 WeakPolarHBondContact O-CG2 3.39Å; K599-V669 PolarHBondContact O-N 3.39Å
600	I	94.1	Very high	91.3	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.9	174.5	-68.7	179.2	0	0	0	108.7	V602 V638 I639 L647 V665 P668	I600-V602 HydrophobicContact CG2-CG1 3.94Å; I600-V638 CarbonylContact O-C 3.54Å; I600-V638 WeakPolarHBondContact O-CA 3.49Å; I600-I639 PolarHBondContact N-O 2.64Å; I600-I639 PolarHBondContact O-N 2.77Å; I600-L647 HydrophobicContact CD1-CB 3.85Å; I600-L647 HydrophobicContact CD1-CD1 3.56Å; I600-L647 HydrophobicContact CD1-CG 4.18Å; I600-L647 HydrophobicContact CG1-CD1 3.91Å; I600-V665 HydrophobicContact CG2-CG1 3.49Å; I600-V665 VanDerWaalsContact CG2-CG1 3.49Å; I600-P668 HydrophobicContact CD1-CB 4.37Å; I600-P668 HydrophobicContact CG1-CB 3.96Å
601	A	93.5	Very high	91.4	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.5	169.2	0	0	0	0	0	110	R637 A666	A601-R637 CarbonylContact C-O 3.59Å; A601-R637 WeakPolarHBondContact CA-O 3.35Å; A601-A666 HydrophobicContact CB-CB 3.93Å; A601-A666 PolarHBondContact O-N 3.03Å
602	V	94.5	Very high	91.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.9	-175.5	-61.6	0	0	0	0	111.5	I600 L617 R637 I639 M651 V663 K664 V665	I600-V602 HydrophobicContact CG2-CG1 3.94Å; V602-L617 HydrophobicContact CG2-CD1 4.33Å; V602-L617 HydrophobicContact CG2-CD2 4.19Å; V602-R637 HydrophobicContact CG2-CB 4.05Å; V602-R637 WeakPolarHBondContact CG2-O 3.35Å; V602-R637 PolarHBondContact N-O 3.27Å; V602-I639 HydrophobicContact CG1-CD1 3.78Å; V602-I639 HydrophobicContact CG1-CG1 4.21Å; V602-I639 HydrophobicContact CG2-CD1 4Å; V602-I639 HydrophobicContact CG2-CG1 4.01Å; V602-M651 HydrophobicContact CG1-CE 4.28Å; V602-M651 HydrophobicContact CG1-SD 3.94Å; V602-V663 HydrophobicContact CB-CG1 3.99Å; V602-V663 HydrophobicContact CG1-CG1 4.41Å; V602-K664 WeakPolarHBondContact CA-O 3.25Å; V602-V665 HydrophobicContact CG1-CG2 4.29Å
603	E	93.5	Very high	91.9	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	148.6	177.5	-63.8	-161.2	141.3	0	0	110.6	R637 V663 K664	E603-R637 IonicContact OE1-NH1 3.07Å; E603-V663 CarbonylContact O-C 3.57Å; E603-V663 WeakPolarHBondContact O-CA 3.26Å; E603-V663 WeakPolarHBondContact O-CG1 3.32Å; E603-K664 PolarHBondContact N-O 2.96Å; E603-K664 PolarHBondContact O-N 2.77Å
604	P	94.2	Very high	92.4	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.065	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.1	174.1	33.8	-32.4	0	0	0	109	N606 L610 L613 I661	P604-N606 WeakPolarHBondContact CB-O 3.49Å; P604-N606 PolarHBondContact O-N 2.73Å; P604-L610 HydrophobicContact CG-CB 4.37Å; P604-L610 HydrophobicContact CG-CD1 4.47Å; P604-L613 HydrophobicContact CB-CD2 4.27Å; P604-L613 HydrophobicContact CG-CD2 4.22Å; P604-I661 HydrophobicContact CB-CD1 4.41Å
605	A	93.2	Very high	92.7	Very high	43 Å²	43	44.2 Å²	44.2	36%	0.355	26%	0.257	S	S	.	.	S	Bend	trans	-61.9	-37.7	175	0	0	0	0	0	111.3	D662 K664	A605-D662 HydrophobicContact CB-CB 3.88Å; A605-D662 WeakPolarHBondContact CB-O 3.27Å; A605-D662 PolarHBondContact N-O 2.91Å; A605-K664 HydrophobicContact CB-CG 4.43Å
606	N	92.3	Very high	93.1	Very high	83 Å²	83	41.7 Å²	41.7	44%	0.444	24%	0.24	S	C	.	.	S	Bend	trans	-107.2	117.1	172	-170.5	-9.8	0	0	0	110.5	P604 S608 E609	P604-N606 WeakPolarHBondContact CB-O 3.49Å; P604-N606 PolarHBondContact O-N 2.73Å; N606-S608 PolarHBondContact ND2-OG 3.39Å; N606-S608 PolarHBondContact O-N 3.47Å; N606-S608 VanDerWaalsContact O-N 3.14Å; N606-S608 PolarHBondContact OD1-N 3.32Å; N606-S608 PolarHBondContact OD1-OG 3.13Å; N606-S608 VanDerWaalsContact OD1-OG 3.06Å; N606-E609 HydrophobicContact CB-CG 4.24Å; N606-E609 PolarHBondContact O-N 2.96Å
607	P	93.1	Very high	93.3	Very high	102 Å²	102	41.1 Å²	41.1	66%	0.662	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-56.7	-27.7	179.7	-27.7	36	0	0	0	115	E609 L610	P607-E609 PolarHBondContact O-N 2.81Å; P607-L610 VanDerWaalsContact O-CB 3.3Å; P607-L610 WeakPolarHBondContact O-CB 3.35Å; P607-L610 PolarHBondContact O-N 3.07Å
608	S	93.2	Very high	93.5	Very high	87 Å²	87	48.7 Å²	48.7	61%	0.608	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64	-21.3	178.2	66.9	0	0	0	0	113.2	N606 L610	N606-S608 PolarHBondContact ND2-OG 3.39Å; N606-S608 PolarHBondContact O-N 3.47Å; N606-S608 VanDerWaalsContact O-N 3.14Å; N606-S608 PolarHBondContact OD1-N 3.32Å; N606-S608 PolarHBondContact OD1-OG 3.13Å; N606-S608 VanDerWaalsContact OD1-OG 3.06Å; S608-L610 VanDerWaalsContact C-N 3.33Å
609	E	92.7	Very high	93.5	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.21	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-91.3	6.9	-179.4	-56.6	-161.6	119.2	0	0	113.7	N606 P607 P611 K612 L613 I661	N606-E609 HydrophobicContact CB-CG 4.24Å; N606-E609 PolarHBondContact O-N 2.96Å; P607-E609 PolarHBondContact O-N 2.81Å; E609-P611 VanDerWaalsContact C-N 3.3Å; E609-K612 HydrophobicContact CB-CD 4.4Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 3.18Å; E609-K612 IonicContact OE1-NZ 3.35Å; E609-K612 PolarHBondContact OE1-NZ 2.91Å; E609-L613 PolarHBondContact O-N 2.86Å; E609-L613 VanDerWaalsContact O-N 3.14Å; E609-I661 HydrophobicContact CB-CG2 4.24Å; E609-I661 WeakPolarHBondContact OE2-CG2 3.34Å
610	L	92.8	Very high	93.6	Very high	46 Å²	46	49.8 Å²	49.8	24%	0.241	27%	0.268	C	S	.	.	H	α-helix	trans	-50.3	-41	178.4	178.1	64	0	0	0	113.9	P604 P607 S608 K612 L613 L614	P604-L610 HydrophobicContact CG-CB 4.37Å; P604-L610 HydrophobicContact CG-CD1 4.47Å; P607-L610 VanDerWaalsContact O-CB 3.3Å; P607-L610 WeakPolarHBondContact O-CB 3.35Å; P607-L610 PolarHBondContact O-N 3.07Å; S608-L610 VanDerWaalsContact C-N 3.33Å; L610-K612 VanDerWaalsContact C-N 3.31Å; L610-K612 PolarHBondContact O-N 3.33Å; L610-L613 HydrophobicContact CD1-CD2 4.45Å; L610-L613 WeakPolarHBondContact O-CB 3.11Å; L610-L613 PolarHBondContact O-N 2.78Å; L610-L614 HydrophobicContact CD1-CD1 4.5Å; L610-L614 HydrophobicContact CD1-CG 4.21Å; L610-L614 HydrophobicContact CG-CD1 4.27Å; L610-L614 HydrophobicContact CG-CG 4.42Å; L610-L614 WeakPolarHBondContact O-CG 3.33Å; L610-L614 PolarHBondContact O-N 2.89Å
611	P	94.1	Very high	93.6	Very high	93 Å²	93	50.1 Å²	50.1	60%	0.604	27%	0.27	S	S	*	.	H	α-helix	trans	-60.2	-38	176.1	-24.9	35.6	0	0	0	113.4	E609 L614 D615	E609-P611 VanDerWaalsContact C-N 3.3Å; P611-L614 PolarHBondContact O-N 3.16Å; P611-D615 PolarHBondContact O-N 3.04Å
612	K	93.2	Very high	93.6	Very high	107 Å²	107	51.3 Å²	51.3	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-66.7	-40.5	176.4	-60.5	179.7	-173.9	169.8	0	111	E609 L610 D615 G616 I661	E609-K612 HydrophobicContact CB-CD 4.4Å; E609-K612 WeakPolarHBondContact O-CB 3.4Å; E609-K612 PolarHBondContact O-N 3.18Å; E609-K612 IonicContact OE1-NZ 3.35Å; E609-K612 PolarHBondContact OE1-NZ 2.91Å; L610-K612 VanDerWaalsContact C-N 3.31Å; L610-K612 PolarHBondContact O-N 3.33Å; K612-D615 PolarHBondContact O-N 3.1Å; K612-G616 PolarHBondContact O-N 2.97Å; K612-I661 HydrophobicContact CB-CG2 4.13Å; K612-I661 HydrophobicContact CD-CG2 3.82Å
613	L	94	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-46	174.6	179.8	64.3	0	0	0	111	P604 E609 L610 D615 G616 L617 L654 I661 V663	P604-L613 HydrophobicContact CB-CD2 4.27Å; P604-L613 HydrophobicContact CG-CD2 4.22Å; E609-L613 PolarHBondContact O-N 2.86Å; E609-L613 VanDerWaalsContact O-N 3.14Å; L610-L613 HydrophobicContact CD1-CD2 4.45Å; L610-L613 WeakPolarHBondContact O-CB 3.11Å; L610-L613 PolarHBondContact O-N 2.78Å; L613-D615 PolarHBondContact O-N 2.63Å; L613-G616 CarbonylContact O-C 3.53Å; L613-G616 PolarHBondContact O-N 3.34Å; L613-L617 HydrophobicContact CD1-CG 4.29Å; L613-L617 HydrophobicContact CG-CD1 4.13Å; L613-L617 HydrophobicContact CG-CG 4.32Å; L613-L617 WeakPolarHBondContact O-CB 3.34Å; L613-L617 WeakPolarHBondContact O-CG 3.35Å; L613-L617 PolarHBondContact O-N 2.57Å; L613-L654 HydrophobicContact CD1-CD1 4.31Å; L613-L654 HydrophobicContact CD1-CD2 3.99Å; L613-L654 HydrophobicContact CD1-CG 4.38Å; L613-I661 HydrophobicContact CB-CD1 3.62Å; L613-I661 HydrophobicContact CD1-CD1 4.04Å; L613-I661 HydrophobicContact CG-CD1 4.39Å; L613-V663 HydrophobicContact CD1-CG1 4.29Å; L613-V663 HydrophobicContact CD1-CG2 3.99Å
614	L	93.3	Very high	93.6	Very high	58 Å²	58	47.4 Å²	47.4	30%	0.304	26%	0.255	S	S	.	.	H	α-helix	trans	-63.4	-40.4	179.7	-69.5	176.4	0	0	0	112.1	L610 P611 L617 R618	L610-L614 HydrophobicContact CD1-CD1 4.5Å; L610-L614 HydrophobicContact CD1-CG 4.21Å; L610-L614 HydrophobicContact CG-CD1 4.27Å; L610-L614 HydrophobicContact CG-CG 4.42Å; L610-L614 WeakPolarHBondContact O-CG 3.33Å; L610-L614 PolarHBondContact O-N 2.89Å; P611-L614 PolarHBondContact O-N 3.16Å; L614-L617 HydrophobicContact CD2-CD1 4.48Å; L614-L617 PolarHBondContact O-N 2.77Å; L614-R618 WeakPolarHBondContact O-CG 3.46Å; L614-R618 PolarHBondContact O-N 3.4Å
615	D	93.1	Very high	93.5	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-48.2	171.9	-175.6	58.2	0	0	0	111.1	P611 K612 L613 L617 R618 K619	P611-D615 PolarHBondContact O-N 3.04Å; K612-D615 PolarHBondContact O-N 3.1Å; L613-D615 PolarHBondContact O-N 2.63Å; D615-L617 VanDerWaalsContact C-N 3.32Å; D615-L617 PolarHBondContact O-N 3.38Å; D615-R618 WeakPolarHBondContact O-CB 3.36Å; D615-R618 PolarHBondContact O-N 3.09Å; D615-R618 VanDerWaalsContact O-N 3.13Å; D615-K619 WeakPolarHBondContact O-CG 3.02Å; D615-K619 PolarHBondContact O-N 3.2Å; D615-K619 WeakPolarHBondContact OD2-CE 3.49Å; D615-K619 IonicContact OD2-NZ 2.71Å; D615-K619 PolarHBondContact OD2-NZ 3.16Å
616	G	93.6	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-43.8	174.4	0	0	0	0	0	113.1	K612 L613 R618 K619 V620	K612-G616 PolarHBondContact O-N 2.97Å; L613-G616 CarbonylContact O-C 3.53Å; L613-G616 PolarHBondContact O-N 3.34Å; G616-R618 PolarHBondContact O-N 2.93Å; G616-K619 PolarHBondContact O-N 3.29Å; G616-V620 WeakPolarHBondContact O-CG2 3.2Å; G616-V620 PolarHBondContact O-N 3.24Å
617	L	94.9	Very high	93.6	Very high	10 Å²	10	42 Å²	42	5%	0.052	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-38.6	176.9	-75.3	177.5	0	0	0	112.4	V602 L613 L614 D615 V620 N621 T629 R637 I639 L654	V602-L617 HydrophobicContact CG2-CD1 4.33Å; V602-L617 HydrophobicContact CG2-CD2 4.19Å; L613-L617 HydrophobicContact CD1-CG 4.29Å; L613-L617 HydrophobicContact CG-CD1 4.13Å; L613-L617 HydrophobicContact CG-CG 4.32Å; L613-L617 WeakPolarHBondContact O-CB 3.34Å; L613-L617 WeakPolarHBondContact O-CG 3.35Å; L613-L617 PolarHBondContact O-N 2.57Å; L614-L617 HydrophobicContact CD2-CD1 4.48Å; L614-L617 PolarHBondContact O-N 2.77Å; D615-L617 VanDerWaalsContact C-N 3.32Å; D615-L617 PolarHBondContact O-N 3.38Å; L617-V620 HydrophobicContact CD2-CG2 4.44Å; L617-V620 WeakPolarHBondContact O-CG2 3.02Å; L617-N621 WeakPolarHBondContact O-CB 3.42Å; L617-N621 PolarHBondContact O-N 2.85Å; L617-N621 VanDerWaalsContact O-N 3.14Å; L617-T629 HydrophobicContact CB-CG2 4.39Å; L617-T629 HydrophobicContact CD2-CG2 4.11Å; L617-R637 HydrophobicContact CD1-CB 4.09Å; L617-R637 HydrophobicContact CD1-CG 4.43Å; L617-I639 HydrophobicContact CD2-CD1 3.65Å; L617-I639 HydrophobicContact CD2-CG1 3.92Å; L617-L654 HydrophobicContact CD2-CD1 4.32Å; L617-L654 HydrophobicContact CD2-CD2 3.95Å; L617-L654 HydrophobicContact CG-CD1 4.47Å
618	R	93.7	Very high	93.5	Very high	160 Å²	160	39 Å²	39	60%	0.604	20%	0.203	S	C	*	.	H	α-helix	trans	-66.1	-41.8	173.5	-69.6	173.3	-167.8	156.5	2.6	111.1	L614 D615 G616 N621 K622	L614-R618 WeakPolarHBondContact O-CG 3.46Å; L614-R618 PolarHBondContact O-N 3.4Å; D615-R618 WeakPolarHBondContact O-CB 3.36Å; D615-R618 PolarHBondContact O-N 3.09Å; D615-R618 VanDerWaalsContact O-N 3.13Å; G616-R618 PolarHBondContact O-N 2.93Å; R618-N621 PolarHBondContact O-N 3.14Å; R618-K622 WeakPolarHBondContact O-CG 3.46Å; R618-K622 PolarHBondContact O-N 2.87Å; R618-K622 VanDerWaalsContact O-N 3.07Å
619	K	93.8	Very high	93.5	Very high	31 Å²	31	37 Å²	37	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-42.7	179.6	-68.1	-179.5	170.7	159.7	0	112.6	F501 D615 G616 N621 K622 S623 Y658	F501-K619 HydrophobicContact CE2-CB 3.96Å; F501-K619 HydrophobicContact CE2-CD 4.47Å; F501-K619 HydrophobicContact CE2-CG 3.87Å; F501-K619 HydrophobicContact CZ-CB 3.88Å; F501-K619 HydrophobicContact CZ-CG 4.32Å; F501-K619 WeakPolarHBondContact CZ-O 3.47Å; D615-K619 WeakPolarHBondContact O-CG 3.02Å; D615-K619 PolarHBondContact O-N 3.2Å; D615-K619 WeakPolarHBondContact OD2-CE 3.49Å; D615-K619 IonicContact OD2-NZ 2.71Å; D615-K619 PolarHBondContact OD2-NZ 3.16Å; G616-K619 PolarHBondContact O-N 3.29Å; K619-N621 VanDerWaalsContact C-N 3.33Å; K619-N621 PolarHBondContact O-N 2.57Å; K619-K622 WeakPolarHBondContact O-CB 3.48Å; K619-K622 PolarHBondContact O-N 3.12Å; K619-S623 PolarHBondContact O-N 2.86Å; K619-Y658 HydrophobicContact CB-CD1 3.73Å; K619-Y658 HydrophobicContact CB-CD2 3.99Å; K619-Y658 HydrophobicContact CB-CE1 4.03Å; K619-Y658 HydrophobicContact CB-CE2 4.27Å; K619-Y658 HydrophobicContact CB-CG 3.7Å; K619-Y658 HydrophobicContact CD-CD1 3.64Å; K619-Y658 HydrophobicContact CD-CE1 4.41Å; K619-Y658 HydrophobicContact CD-CG 4.01Å; K619-Y658 HydrophobicContact CG-CD1 4.28Å
620	V	94.4	Very high	93.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-35.3	174.2	-64.2	0	0	0	0	112.1	G616 L617 K622 S623 Y624 L627 V650 D653 L654 Y658	G616-V620 WeakPolarHBondContact O-CG2 3.2Å; G616-V620 PolarHBondContact O-N 3.24Å; L617-V620 HydrophobicContact CD2-CG2 4.44Å; L617-V620 WeakPolarHBondContact O-CG2 3.02Å; V620-K622 VanDerWaalsContact C-N 3.25Å; V620-K622 PolarHBondContact O-N 3.42Å; V620-S623 PolarHBondContact O-N 3.02Å; V620-Y624 HydrophobicContact CB-CD2 4.46Å; V620-Y624 WeakPolarHBondContact O-CD2 3.11Å; V620-Y624 PolarHBondContact O-N 2.79Å; V620-L627 HydrophobicContact CB-CD2 3.78Å; V620-L627 HydrophobicContact CG2-CD2 3.55Å; V620-V650 HydrophobicContact CB-CG1 4.2Å; V620-V650 HydrophobicContact CG1-CG1 4.38Å; V620-V650 HydrophobicContact CG2-CG1 4.36Å; V620-D653 HydrophobicContact CG1-CB 4.44Å; V620-L654 HydrophobicContact CG1-CB 4.11Å; V620-L654 HydrophobicContact CG1-CD1 4.34Å; V620-Y658 HydrophobicContact CG1-CD2 3.56Å; V620-Y658 HydrophobicContact CG1-CE2 3.73Å
621	N	94.3	Very high	93.4	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-29.8	176.2	-164.6	26.8	0	0	0	112.3	K572 L617 R618 K619 L627 T629	K572-N621 WeakPolarHBondContact CE-OD1 3.25Å; L617-N621 WeakPolarHBondContact O-CB 3.42Å; L617-N621 PolarHBondContact O-N 2.85Å; L617-N621 VanDerWaalsContact O-N 3.14Å; R618-N621 PolarHBondContact O-N 3.14Å; K619-N621 VanDerWaalsContact C-N 3.33Å; K619-N621 PolarHBondContact O-N 2.57Å; N621-L627 PolarHBondContact OD1-O 3.25Å; N621-T629 HydrophobicContact CB-CG2 4.49Å
622	K	93.6	Very high	93.1	Very high	33 Å²	33	38 Å²	38	14%	0.143	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-42.1	169.8	-69.2	-178.6	-175.5	-159.6	0	113	L492 F501 D567 I570 V571 R618 K619 V620	L492-K622 HydrophobicContact CD2-CB 4.22Å; L492-K622 HydrophobicContact CD2-CD 4.18Å; L492-K622 HydrophobicContact CD2-CG 4.36Å; F501-K622 HydrophobicContact CD2-CD 4.21Å; F501-K622 HydrophobicContact CE1-CB 4.39Å; F501-K622 HydrophobicContact CE2-CD 4.33Å; F501-K622 HydrophobicContact CZ-CB 4.37Å; D567-K622 PolarHBondContact O-NZ 2.95Å; I570-K622 WeakPolarHBondContact O-CE 3.32Å; V571-K622 VanDerWaalsContact O-CA 3.3Å; V571-K622 WeakPolarHBondContact O-CA 3.4Å; R618-K622 WeakPolarHBondContact O-CG 3.46Å; R618-K622 PolarHBondContact O-N 2.87Å; R618-K622 VanDerWaalsContact O-N 3.07Å; K619-K622 WeakPolarHBondContact O-CB 3.48Å; K619-K622 PolarHBondContact O-N 3.12Å; V620-K622 VanDerWaalsContact C-N 3.25Å; V620-K622 PolarHBondContact O-N 3.42Å
623	S	92.9	Very high	92.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-37.5	-177.6	-179.6	0	0	0	0	112.7	K185 K491 K619 V620	K185-S623 WeakPolarHBondContact CE-OG 3.35Å; K185-S623 PolarHBondContact NZ-OG 3.41Å; K491-S623 PolarHBondContact NZ-O 2.73Å; K619-S623 PolarHBondContact O-N 2.86Å; V620-S623 PolarHBondContact O-N 3.02Å
624	Y	94.7	Very high	92.2	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.216	C	C	.	.			trans	-113	107.1	-170.7	-72.4	-86.6	0	0	0	111.3	I184 F214 V620 L626 L627 Y646 V650 D653	I184-Y624 HydrophobicContact CG2-CE1 4.24Å; F214-Y624 HydrophobicContact CE1-CE1 4.48Å; V620-Y624 HydrophobicContact CB-CD2 4.46Å; V620-Y624 WeakPolarHBondContact O-CD2 3.11Å; V620-Y624 PolarHBondContact O-N 2.79Å; Y624-L626 VanDerWaalsContact C-N 3.33Å; Y624-L626 PolarHBondContact O-N 3.19Å; Y624-L627 WeakPolarHBondContact O-CB 3.47Å; Y624-L627 PolarHBondContact O-N 2.88Å; Y624-L627 VanDerWaalsContact O-N 3.13Å; Y624-Y646 WeakPolarHBondContact CB-OH 3.41Å; Y624-Y646 AromaticContact CD1-CE2 3.93Å; Y624-Y646 HydrophobicContact CD1-CE2 3.93Å; Y624-V650 HydrophobicContact CD1-CG2 3.93Å; Y624-V650 HydrophobicContact CD2-CG2 3.78Å; Y624-V650 HydrophobicContact CE1-CG2 3.95Å; Y624-V650 HydrophobicContact CE2-CB 4.47Å; Y624-V650 HydrophobicContact CE2-CG2 3.82Å; Y624-V650 HydrophobicContact CG-CG2 3.84Å; Y624-D653 HydrophobicContact CE2-CB 4.37Å; Y624-D653 WeakPolarHBondContact CE2-OD2 3.39Å; Y624-D653 PolarHBondContact OH-OD2 2.75Å
625	P	93	Very high	91.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.032	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-37.7	-168.5	-27.3	33.8	0	0	0	114.7	D216 A220 K491 K572 L590 F592	D216-P625 HydrophobicContact CB-CB 4.39Å; D216-P625 WeakPolarHBondContact OD2-CD 3.47Å; A220-P625 HydrophobicContact CB-CG 4.32Å; K491-P625 HydrophobicContact CD-CG 4.21Å; K491-P625 VanDerWaalsContact NZ-CD 3.27Å; K572-P625 WeakPolarHBondContact CD-O 3.28Å; K572-P625 WeakPolarHBondContact CE-O 3.32Å; K572-P625 PolarHBondContact NZ-O 2.86Å; L590-P625 HydrophobicContact CD1-CB 4.32Å; F592-P625 HydrophobicContact CE1-CB 3.81Å; F592-P625 HydrophobicContact CZ-CB 3.75Å
626	L	92.7	Very high	91.6	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.089	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.5	-176.8	-176.7	55.7	0	0	0	113.4	D216 F592 T594 S596 Y624 T642	D216-L626 HydrophobicContact CB-CB 3.35Å; D216-L626 HydrophobicContact CB-CD2 4.03Å; D216-L626 HydrophobicContact CB-CG 4.32Å; D216-L626 WeakPolarHBondContact OD2-CB 3.36Å; D216-L626 PolarHBondContact OD2-N 2.83Å; D216-L626 VanDerWaalsContact OD2-N 3.16Å; F592-L626 HydrophobicContact CB-CD1 4.18Å; F592-L626 HydrophobicContact CB-CD2 4.41Å; F592-L626 HydrophobicContact CD1-CB 4.33Å; F592-L626 HydrophobicContact CD1-CD1 4.48Å; F592-L626 HydrophobicContact CD2-CD1 3.66Å; F592-L626 HydrophobicContact CE1-CB 4.25Å; F592-L626 HydrophobicContact CE2-CD1 4.12Å; F592-L626 HydrophobicContact CG-CD1 3.85Å; F592-L626 HydrophobicContact CG-CD2 4.44Å; F592-L626 HydrophobicContact CG-CG 4.5Å; F592-L626 HydrophobicContact CZ-CB 4.35Å; T594-L626 HydrophobicContact CG2-CD2 3.46Å; T594-L626 VanDerWaalsContact CG2-CD2 3.46Å; S596-L626 WeakPolarHBondContact OG-CG 2.95Å; S596-L626 PolarHBondContact OG-O 3.32Å; Y624-L626 VanDerWaalsContact C-N 3.33Å; Y624-L626 PolarHBondContact O-N 3.19Å; L626-T642 HydrophobicContact CD2-CG2 3.31Å; L626-T642 HydrophobicContact CG-CG2 4.11Å
627	L	94.1	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.			trans	-63.2	139.6	174.3	-161.3	73.8	0	0	0	109.6	K572 V620 N621 Y624 T629 I639 Y646 L647 V650	K572-L627 WeakPolarHBondContact CE-O 3.42Å; K572-L627 PolarHBondContact NZ-O 3.1Å; V620-L627 HydrophobicContact CB-CD2 3.78Å; V620-L627 HydrophobicContact CG2-CD2 3.55Å; N621-L627 PolarHBondContact OD1-O 3.25Å; Y624-L627 WeakPolarHBondContact O-CB 3.47Å; Y624-L627 PolarHBondContact O-N 2.88Å; Y624-L627 VanDerWaalsContact O-N 3.13Å; L627-T629 HydrophobicContact CD2-CG2 4.47Å; L627-I639 HydrophobicContact CD1-CG2 3.44Å; L627-I639 VanDerWaalsContact CD1-CG2 3.44Å; L627-I639 HydrophobicContact CD2-CG2 4.4Å; L627-I639 HydrophobicContact CG-CG2 4.03Å; L627-Y646 HydrophobicContact CD1-CE1 3.69Å; L627-Y646 PolarHBondContact N-OH 3.19Å; L627-L647 HydrophobicContact CD1-CD2 4.38Å; L627-V650 HydrophobicContact CD1-CB 4.41Å; L627-V650 HydrophobicContact CD1-CG1 3.9Å; L627-V650 HydrophobicContact CD1-CG2 3.83Å; L627-V650 HydrophobicContact CD2-CG1 3.79Å; L627-V650 HydrophobicContact CD2-CG2 4.49Å
628	A	91.8	Very high	91.5	Very high	38 Å²	38	42.2 Å²	42.2	31%	0.314	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.4	169.9	0	0	0	0	0	109.1	R640	A628-R640 HydrophobicContact CB-CB 4.33Å; A628-R640 PolarHBondContact N-O 3.42Å; A628-R640 PolarHBondContact O-N 2.72Å
629	T	93	Very high	91.6	Very high	47 Å²	47	34.7 Å²	34.7	29%	0.288	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.3	173.6	56.3	0	0	0	0	108.8	L617 N621 L627 V638 I639	L617-T629 HydrophobicContact CB-CG2 4.39Å; L617-T629 HydrophobicContact CD2-CG2 4.11Å; N621-T629 HydrophobicContact CB-CG2 4.49Å; L627-T629 HydrophobicContact CD2-CG2 4.47Å; T629-V638 CarbonylContact C-O 3.58Å; T629-V638 WeakPolarHBondContact CA-O 3.3Å; T629-I639 HydrophobicContact CG2-CG1 4.43Å
630	K	90.5	Very high	91.6	Very high	103 Å²	103	35.6 Å²	35.6	45%	0.448	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.9	178.2	-173.3	179.1	178.2	-171.9	0	108.9	V638	K630-V638 PolarHBondContact N-O 3.34Å; K630-V638 PolarHBondContact O-N 3.14Å
631	V	91.8	Very high	91.5	Very high	88 Å²	88	35.6 Å²	35.6	53%	0.533	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125	165.2	-175.4	0	0	0	0	106.8	R637	V631-R637 HydrophobicContact CG2-CG 4.34Å
632	E	87.8	Confident	91.5	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.056	19%	0.187	C	C	.	.			trans	-86.2	167.8	176.2	-62.5	-162.7	152.7	0	0	111	K599 S634 G635 E636 V638	K599-E632 IonicContact NZ-OE1 3.17Å; K599-E632 PolarHBondContact NZ-OE1 3.16Å; K599-E632 IonicContact NZ-OE2 2.81Å; K599-E632 PolarHBondContact NZ-OE2 3.12Å; E632-S634 PolarHBondContact O-N 3.36Å; E632-G635 PolarHBondContact O-N 3.04Å; E632-E636 PolarHBondContact N-O 3.48Å; E632-V638 HydrophobicContact CG-CB 4.48Å; E632-V638 HydrophobicContact CG-CG2 3.79Å
633	E	83.7	Confident	91.4	Very high	151 Å²	151	33.4 Å²	33.4	71%	0.706	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.9	-176.9	-62.4	-169.4	166.7	0	0	112.8	G635	E633-G635 PolarHBondContact O-N 2.94Å; E633-G635 VanDerWaalsContact O-N 3.16Å
634	S	85.3	Confident	91.3	Very high	52 Å²	52	36.5 Å²	36.5	36%	0.364	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.5	172	56.1	0	0	0	0	114	E632 E636 R950	E632-S634 PolarHBondContact O-N 3.36Å; S634-E636 VanDerWaalsContact C-N 3.26Å; S634-E636 WeakPolarHBondContact OG-CG 3.44Å; S634-E636 PolarHBondContact OG-N 3.19Å; S634-R950 PolarHBondContact OG-O 3.45Å
635	G	86.2	Confident	91.2	Very high	28 Å²	28	38 Å²	38	29%	0.289	20%	0.203	S	C	.	.	S	Bend	trans	84.9	-5.4	-171.9	0	0	0	0	0	113.8	E632 E633 R637	E632-G635 PolarHBondContact O-N 3.04Å; E633-G635 PolarHBondContact O-N 2.94Å; E633-G635 VanDerWaalsContact O-N 3.16Å; G635-R637 PolarHBondContact O-NE 2.93Å; G635-R637 PolarHBondContact O-NH1 3.19Å; G635-R637 VanDerWaalsContact O-NH1 3.16Å
636	E	88.8	Confident	91.3	Very high	47 Å²	47	37.7 Å²	37.7	22%	0.22	20%	0.202	C	C	.	.			trans	-62.3	136.1	172.8	-70.4	-175.7	-177.1	0	0	110.6	E632 S634 R950	E632-E636 PolarHBondContact N-O 3.48Å; S634-E636 VanDerWaalsContact C-N 3.26Å; S634-E636 WeakPolarHBondContact OG-CG 3.44Å; S634-E636 PolarHBondContact OG-N 3.19Å; E636-R950 VanDerWaalsContact OE2-CG 3.3Å; E636-R950 WeakPolarHBondContact OE2-CG 3.42Å
637	R	92.9	Very high	91.4	Very high	48 Å²	48	37.1 Å²	37.1	18%	0.181	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.7	174.9	-56.5	94.1	-170.9	147.6	3.8	108.6	A601 V602 E603 L617 V631 G635	A601-R637 CarbonylContact C-O 3.59Å; A601-R637 WeakPolarHBondContact CA-O 3.35Å; V602-R637 HydrophobicContact CG2-CB 4.05Å; V602-R637 WeakPolarHBondContact CG2-O 3.35Å; V602-R637 PolarHBondContact N-O 3.27Å; E603-R637 IonicContact OE1-NH1 3.07Å; L617-R637 HydrophobicContact CD1-CB 4.09Å; L617-R637 HydrophobicContact CD1-CG 4.43Å; V631-R637 HydrophobicContact CG2-CG 4.34Å; G635-R637 PolarHBondContact O-NE 2.93Å; G635-R637 PolarHBondContact O-NH1 3.19Å; G635-R637 VanDerWaalsContact O-NH1 3.16Å
638	V	93.1	Very high	91.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.2	-171.2	172	0	0	0	0	110.4	K599 I600 T629 K630 E632 R640	K599-V638 HydrophobicContact CD-CG1 3.77Å; K599-V638 HydrophobicContact CG-CG1 3.4Å; K599-V638 VanDerWaalsContact CG-CG1 3.4Å; I600-V638 CarbonylContact O-C 3.54Å; I600-V638 WeakPolarHBondContact O-CA 3.49Å; T629-V638 CarbonylContact C-O 3.58Å; T629-V638 WeakPolarHBondContact CA-O 3.3Å; K630-V638 PolarHBondContact N-O 3.34Å; K630-V638 PolarHBondContact O-N 3.14Å; E632-V638 HydrophobicContact CG-CB 4.48Å; E632-V638 HydrophobicContact CG-CG2 3.79Å; V638-R640 HydrophobicContact CG1-CG 4.37Å
639	I	94.9	Very high	91.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.9	171.9	-54	-178	0	0	0	108.7	K599 I600 V602 L617 L627 T629 L647 M651 L654	K599-I639 WeakPolarHBondContact CA-O 3.27Å; I600-I639 PolarHBondContact N-O 2.64Å; I600-I639 PolarHBondContact O-N 2.77Å; V602-I639 HydrophobicContact CG1-CD1 3.78Å; V602-I639 HydrophobicContact CG1-CG1 4.21Å; V602-I639 HydrophobicContact CG2-CD1 4Å; V602-I639 HydrophobicContact CG2-CG1 4.01Å; L617-I639 HydrophobicContact CD2-CD1 3.65Å; L617-I639 HydrophobicContact CD2-CG1 3.92Å; L627-I639 HydrophobicContact CD1-CG2 3.44Å; L627-I639 VanDerWaalsContact CD1-CG2 3.44Å; L627-I639 HydrophobicContact CD2-CG2 4.4Å; L627-I639 HydrophobicContact CG-CG2 4.03Å; T629-I639 HydrophobicContact CG2-CG1 4.43Å; I639-L647 HydrophobicContact CG2-CD2 3.77Å; I639-M651 HydrophobicContact CD1-SD 3.97Å; I639-L654 HydrophobicContact CD1-CD2 4.28Å
640	R	93.4	Very high	91.6	Very high	51 Å²	51	37 Å²	37	19%	0.192	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.8	171.4	-60	-177.3	176.5	-162.1	-8.9	110.4	V598 A628 V638 E792	V598-R640 CarbonylContact O-C 3.22Å; V598-R640 VanDerWaalsContact O-CA 3.24Å; V598-R640 WeakPolarHBondContact O-CA 3.39Å; A628-R640 HydrophobicContact CB-CB 4.33Å; A628-R640 PolarHBondContact N-O 3.42Å; A628-R640 PolarHBondContact O-N 2.72Å; V638-R640 HydrophobicContact CG1-CG 4.37Å; R640-E792 IonicContact CZ-OE2 3.07Å; R640-E792 IonicContact NH2-OE1 3.19Å; R640-E792 IonicContact NH2-OE2 2.61Å; R640-E792 PolarHBondContact NH2-OE2 2.82Å
641	G	93.6	Very high	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	178.6	179.9	0	0	0	0	0	113.6	S596 V597 V598	S596-G641 CarbonylContact C-O 3.59Å; S596-G641 WeakPolarHBondContact CA-O 3.38Å; V597-G641 PolarHBondContact N-O 2.74Å; V598-G641 PolarHBondContact N-O 2.95Å; V598-G641 PolarHBondContact O-N 3.46Å
642	T	92.6	Very high	91.9	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.037	16%	0.163	C	C	.	.	S	Bend	trans	-82	-29.6	-172.6	52.4	0	0	0	0	114.5	N213 T594 L626 Y646 Y842	N213-T642 WeakPolarHBondContact CB-OG1 3.49Å; N213-T642 PolarHBondContact O-OG1 3.04Å; T594-T642 HydrophobicContact CG2-CG2 3.79Å; L626-T642 HydrophobicContact CD2-CG2 3.31Å; L626-T642 HydrophobicContact CG-CG2 4.11Å; T642-Y646 VanDerWaalsContact OG1-CB 3.26Å; T642-Y646 WeakPolarHBondContact OG1-CB 3.39Å; T642-Y646 WeakPolarHBondContact OG1-CD2 3.22Å; T642-Y646 VanDerWaalsContact OG1-CG 3.25Å; T642-Y842 PolarHBondContact O-OH 3.33Å
643	G	91.6	Very high	92.1	Very high	3 Å²	3	31.7 Å²	31.7	3%	0.031	16%	0.163	C	C	.	.	S	Bend	trans	-179.4	179.5	-174.4	0	0	0	0	0	112.5	Y646 L647	G643-Y646 PolarHBondContact O-N 2.94Å; G643-L647 PolarHBondContact O-N 3.25Å; G643-L647 VanDerWaalsContact O-N 3.1Å
644	E	91.4	Very high	92.6	Very high	66 Å²	66	24.5 Å²	24.5	31%	0.308	13%	0.129	S	C	.	.	H	α-helix	trans	-59.8	-54.1	-174.1	-60	-169.8	136.4	0	0	112.6	Y646 L647 D648 F891 G892	E644-Y646 PolarHBondContact O-N 3.42Å; E644-L647 PolarHBondContact O-N 2.98Å; E644-D648 WeakPolarHBondContact O-CB 3.45Å; E644-D648 PolarHBondContact O-N 3.22Å; E644-F891 HydrophobicContact CG-CD1 4.08Å; E644-F891 VanDerWaalsContact OE1-C 3.31Å; E644-F891 WeakPolarHBondContact OE1-CA 3.28Å; E644-F891 WeakPolarHBondContact OE1-CB 3.32Å; E644-G892 PolarHBondContact OE1-N 2.88Å; E644-G892 PolarHBondContact OE2-N 3.02Å
645	L	92.8	Very high	93	Very high	31 Å²	31	26.7 Å²	26.7	16%	0.162	13%	0.129	C	C	.	.	H	α-helix	trans	-57.5	-36.4	-179.2	-174.6	71.1	0	0	0	112.5	L182 F214 C649	L182-L645 HydrophobicContact CD1-CD2 4.23Å; L182-L645 HydrophobicContact CD2-CD1 4.23Å; L182-L645 HydrophobicContact CD2-CD2 3.99Å; F214-L645 HydrophobicContact CE2-CD2 3.88Å; F214-L645 HydrophobicContact CE2-CG 4.21Å; F214-L645 HydrophobicContact CZ-CD2 4.45Å; F214-L645 HydrophobicContact CZ-CG 4.29Å; L645-C649 PolarHBondContact O-N 3.5Å; L645-C649 VanDerWaalsContact O-N 3.14Å; L645-C649 PolarHBondContact O-SG 2.83Å
646	Y	94.8	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-47.2	179.9	177.9	-85.2	0	0	0	111.4	N213 F214 D216 Y624 L627 T642 G643 E644 D648 C649 V650	N213-Y646 VanDerWaalsContact O-CD2 3.25Å; N213-Y646 WeakPolarHBondContact O-CD2 3.03Å; F214-Y646 AromaticContact CD1-CD2 3.46Å; F214-Y646 HydrophobicContact CD1-CD2 3.46Å; F214-Y646 VanDerWaalsContact CD1-CD2 3.46Å; F214-Y646 HydrophobicContact CD1-CE2 4.07Å; F214-Y646 HydrophobicContact CD1-CG 4.45Å; F214-Y646 AromaticContact CE1-CD2 3.56Å; F214-Y646 HydrophobicContact CE1-CD2 3.56Å; F214-Y646 HydrophobicContact CE1-CE2 4.4Å; F214-Y646 HydrophobicContact CE1-CG 4.15Å; F214-Y646 HydrophobicContact CG-CD2 4.49Å; D216-Y646 PolarHBondContact OD2-OH 2.84Å; Y624-Y646 WeakPolarHBondContact CB-OH 3.41Å; Y624-Y646 AromaticContact CD1-CE2 3.93Å; Y624-Y646 HydrophobicContact CD1-CE2 3.93Å; L627-Y646 HydrophobicContact CD1-CE1 3.69Å; L627-Y646 PolarHBondContact N-OH 3.19Å; T642-Y646 VanDerWaalsContact OG1-CB 3.26Å; T642-Y646 WeakPolarHBondContact OG1-CB 3.39Å; T642-Y646 WeakPolarHBondContact OG1-CD2 3.22Å; T642-Y646 VanDerWaalsContact OG1-CG 3.25Å; G643-Y646 PolarHBondContact O-N 2.94Å; E644-Y646 PolarHBondContact O-N 3.42Å; Y646-D648 VanDerWaalsContact C-N 3.32Å; Y646-D648 PolarHBondContact O-N 2.65Å; Y646-C649 PolarHBondContact O-N 2.76Å; Y646-V650 HydrophobicContact CD1-CG2 4.09Å; Y646-V650 HydrophobicContact CE1-CG2 3.95Å; Y646-V650 VanDerWaalsContact O-CG2 3.22Å; Y646-V650 WeakPolarHBondContact O-CG2 3.37Å; Y646-V650 PolarHBondContact O-N 2.73Å
647	L	94.5	Very high	93.2	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-33.4	178.5	-72.5	172.4	0	0	0	112.1	V598 I600 L627 I639 G643 E644 V650 M651	V598-L647 HydrophobicContact CB-CD1 3.66Å; V598-L647 HydrophobicContact CG1-CD1 3.36Å; I600-L647 HydrophobicContact CD1-CB 3.85Å; I600-L647 HydrophobicContact CD1-CD1 3.56Å; I600-L647 HydrophobicContact CD1-CG 4.18Å; I600-L647 HydrophobicContact CG1-CD1 3.91Å; L627-L647 HydrophobicContact CD1-CD2 4.38Å; I639-L647 HydrophobicContact CG2-CD2 3.77Å; G643-L647 PolarHBondContact O-N 3.25Å; G643-L647 VanDerWaalsContact O-N 3.1Å; E644-L647 PolarHBondContact O-N 2.98Å; L647-V650 PolarHBondContact O-N 2.98Å; L647-M651 WeakPolarHBondContact O-CB 3.48Å; L647-M651 WeakPolarHBondContact O-CG 3.2Å; L647-M651 PolarHBondContact O-N 2.7Å
648	D	94.3	Very high	93.1	Very high	83 Å²	83	28.9 Å²	28.9	44%	0.444	13%	0.132	S	C	.	.	H	α-helix	trans	-63.1	-44	173.9	-178.6	39.1	0	0	0	111.9	R180 E644 Y646 M651 H652	R180-D648 IonicContact CZ-OD2 2.71Å; R180-D648 IonicContact NH1-OD2 3.28Å; R180-D648 PolarHBondContact NH1-OD2 3.16Å; R180-D648 VanDerWaalsContact NH2-CG 3.3Å; R180-D648 IonicContact NH2-OD1 2.75Å; R180-D648 IonicContact NH2-OD2 3.07Å; R180-D648 PolarHBondContact NH2-OD2 3.01Å; E644-D648 WeakPolarHBondContact O-CB 3.45Å; E644-D648 PolarHBondContact O-N 3.22Å; Y646-D648 VanDerWaalsContact C-N 3.32Å; Y646-D648 PolarHBondContact O-N 2.65Å; D648-M651 PolarHBondContact O-N 2.95Å; D648-H652 PolarHBondContact O-N 3.03Å
649	C	94.3	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-43.8	172.3	-68.7	0	0	0	0	112.4	M176 R180 I184 F214 L645 Y646 M651 H652 D653	M176-C649 HydrophobicContact SD-CB 3.79Å; R180-C649 PolarHBondContact NH1-SG 3.44Å; R180-C649 VanDerWaalsContact NH1-SG 3.42Å; I184-C649 HydrophobicContact CD1-CB 4.46Å; I184-C649 VanDerWaalsContact CD1-SG 3.57Å; I184-C649 HydrophobicContact CG2-CB 4.41Å; F214-C649 HydrophobicContact CE1-CB 4.38Å; F214-C649 HydrophobicContact CZ-CB 4.23Å; L645-C649 PolarHBondContact O-N 3.5Å; L645-C649 VanDerWaalsContact O-N 3.14Å; L645-C649 PolarHBondContact O-SG 2.83Å; Y646-C649 PolarHBondContact O-N 2.76Å; C649-M651 PolarHBondContact O-N 2.89Å; C649-H652 PolarHBondContact O-N 3.27Å; C649-D653 PolarHBondContact O-N 2.88Å
650	V	94.9	Very high	92.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-43.2	176.8	171.4	0	0	0	0	111.2	V620 Y624 L627 Y646 L647 D653 L654	V620-V650 HydrophobicContact CB-CG1 4.2Å; V620-V650 HydrophobicContact CG1-CG1 4.38Å; V620-V650 HydrophobicContact CG2-CG1 4.36Å; Y624-V650 HydrophobicContact CD1-CG2 3.93Å; Y624-V650 HydrophobicContact CD2-CG2 3.78Å; Y624-V650 HydrophobicContact CE1-CG2 3.95Å; Y624-V650 HydrophobicContact CE2-CB 4.47Å; Y624-V650 HydrophobicContact CE2-CG2 3.82Å; Y624-V650 HydrophobicContact CG-CG2 3.84Å; L627-V650 HydrophobicContact CD1-CB 4.41Å; L627-V650 HydrophobicContact CD1-CG1 3.9Å; L627-V650 HydrophobicContact CD1-CG2 3.83Å; L627-V650 HydrophobicContact CD2-CG1 3.79Å; L627-V650 HydrophobicContact CD2-CG2 4.49Å; Y646-V650 HydrophobicContact CD1-CG2 4.09Å; Y646-V650 HydrophobicContact CE1-CG2 3.95Å; Y646-V650 VanDerWaalsContact O-CG2 3.22Å; Y646-V650 WeakPolarHBondContact O-CG2 3.37Å; Y646-V650 PolarHBondContact O-N 2.73Å; L647-V650 PolarHBondContact O-N 2.98Å; V650-D653 PolarHBondContact O-N 3.01Å; V650-L654 WeakPolarHBondContact O-CB 3.49Å; V650-L654 PolarHBondContact O-N 2.87Å
651	M	94.5	Very high	92.2	Very high	11 Å²	11	31.8 Å²	31.8	5%	0.054	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-35.7	179.3	-74.7	-52.1	-48.8	0	0	112	V602 I639 L647 D648 C649 L654 R655 V663 V665	V602-M651 HydrophobicContact CG1-CE 4.28Å; V602-M651 HydrophobicContact CG1-SD 3.94Å; I639-M651 HydrophobicContact CD1-SD 3.97Å; L647-M651 WeakPolarHBondContact O-CB 3.48Å; L647-M651 WeakPolarHBondContact O-CG 3.2Å; L647-M651 PolarHBondContact O-N 2.7Å; D648-M651 PolarHBondContact O-N 2.95Å; C649-M651 PolarHBondContact O-N 2.89Å; M651-L654 HydrophobicContact CE-CD2 3.97Å; M651-L654 HydrophobicContact SD-CD2 4.17Å; M651-R655 HydrophobicContact CE-CG 4.37Å; M651-R655 VanDerWaalsContact O-CB 3.31Å; M651-R655 WeakPolarHBondContact O-CB 3.45Å; M651-R655 WeakPolarHBondContact O-CD 3.39Å; M651-R655 VanDerWaalsContact O-CG 3.25Å; M651-R655 WeakPolarHBondContact O-CG 3.38Å; M651-R655 PolarHBondContact O-N 3Å; M651-V663 HydrophobicContact CE-CB 4.28Å; M651-V663 HydrophobicContact CE-CG1 3.94Å; M651-V665 HydrophobicContact CE-CG2 3.39Å; M651-V665 HydrophobicContact SD-CG2 4.18Å
652	H	93.9	Very high	92.1	Very high	70 Å²	70	37.9 Å²	37.9	32%	0.324	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-50.2	170.9	176.1	-69.9	0	0	0	111	M176 D648 C649 L654 R655 K656	M176-H652 HydrophobicContact CE-CB 3.68Å; M176-H652 VanDerWaalsContact CE-CG 3.4Å; M176-H652 WeakPolarHBondContact CE-ND1 3.49Å; D648-H652 PolarHBondContact O-N 3.03Å; C649-H652 PolarHBondContact O-N 3.27Å; H652-L654 VanDerWaalsContact C-N 3.32Å; H652-L654 PolarHBondContact O-N 3.39Å; H652-R655 PolarHBondContact O-N 2.91Å; H652-K656 WeakPolarHBondContact O-CB 3.47Å; H652-K656 PolarHBondContact O-N 2.93Å
653	D	93.3	Very high	92.2	Very high	10 Å²	10	38 Å²	38	5%	0.053	19%	0.185	C	C	.	.	I	π-helix	trans	-61	-41.3	178.8	-77	-2.5	0	0	0	111.3	M176 K185 V620 Y624 C649 V650 L657 Y658	M176-D653 WeakPolarHBondContact CE-OD1 3.39Å; K185-D653 IonicContact NZ-OD2 3.76Å; K185-D653 PolarHBondContact NZ-OD2 2.99Å; V620-D653 HydrophobicContact CG1-CB 4.44Å; Y624-D653 HydrophobicContact CE2-CB 4.37Å; Y624-D653 WeakPolarHBondContact CE2-OD2 3.39Å; Y624-D653 PolarHBondContact OH-OD2 2.75Å; C649-D653 PolarHBondContact O-N 2.88Å; V650-D653 PolarHBondContact O-N 3.01Å; D653-L657 HydrophobicContact CB-CB 4.45Å; D653-L657 WeakPolarHBondContact O-CA 3.48Å; D653-L657 WeakPolarHBondContact O-CB 3.32Å; D653-L657 PolarHBondContact O-N 2.89Å; D653-Y658 HydrophobicContact CB-CD2 4.33Å; D653-Y658 HydrophobicContact CB-CE2 4.03Å; D653-Y658 WeakPolarHBondContact O-CD2 3.42Å; D653-Y658 PolarHBondContact O-N 2.9Å; D653-Y658 VanDerWaalsContact O-N 3.07Å
654	L	93.9	Very high	92.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-57.8	-57.5	174.4	-174.8	60.8	0	0	0	110.6	L613 L617 V620 I639 V650 M651 H652 S659	L613-L654 HydrophobicContact CD1-CD1 4.31Å; L613-L654 HydrophobicContact CD1-CD2 3.99Å; L613-L654 HydrophobicContact CD1-CG 4.38Å; L617-L654 HydrophobicContact CD2-CD1 4.32Å; L617-L654 HydrophobicContact CD2-CD2 3.95Å; L617-L654 HydrophobicContact CG-CD1 4.47Å; V620-L654 HydrophobicContact CG1-CB 4.11Å; V620-L654 HydrophobicContact CG1-CD1 4.34Å; I639-L654 HydrophobicContact CD1-CD2 4.28Å; V650-L654 WeakPolarHBondContact O-CB 3.49Å; V650-L654 PolarHBondContact O-N 2.87Å; M651-L654 HydrophobicContact CE-CD2 3.97Å; M651-L654 HydrophobicContact SD-CD2 4.17Å; H652-L654 VanDerWaalsContact C-N 3.32Å; H652-L654 PolarHBondContact O-N 3.39Å; L654-S659 PolarHBondContact O-N 2.92Å; L654-S659 VanDerWaalsContact O-N 3.1Å; L654-S659 PolarHBondContact O-OG 2.82Å
655	R	93.3	Very high	92.4	Very high	98 Å²	98	43.4 Å²	43.4	37%	0.37	21%	0.211	S	C	.	.	I	π-helix	trans	-67.3	-40.9	-174.2	-71.4	169.5	172.6	170.2	-7	114	M651 H652 D660 V663	M651-R655 HydrophobicContact CE-CG 4.37Å; M651-R655 VanDerWaalsContact O-CB 3.31Å; M651-R655 WeakPolarHBondContact O-CB 3.45Å; M651-R655 WeakPolarHBondContact O-CD 3.39Å; M651-R655 VanDerWaalsContact O-CG 3.25Å; M651-R655 WeakPolarHBondContact O-CG 3.38Å; M651-R655 PolarHBondContact O-N 3Å; H652-R655 PolarHBondContact O-N 2.91Å; R655-D660 WeakPolarHBondContact O-CA 3.23Å; R655-D660 PolarHBondContact O-N 2.98Å; R655-V663 HydrophobicContact CG-CB 4.17Å; R655-V663 HydrophobicContact CG-CG2 4.05Å; R655-V663 PolarHBondContact NH2-O 2.91Å
656	K	89.7	Confident	92.4	Very high	144 Å²	144	44 Å²	44	63%	0.626	22%	0.221	S	C	*	.	I	π-helix	trans	-105.7	-27.8	-168.7	-63.1	-62.7	-175.5	-171.4	0	114.7	H652	H652-K656 WeakPolarHBondContact O-CB 3.47Å; H652-K656 PolarHBondContact O-N 2.93Å
657	L	88.9	Confident	92.3	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	25%	0.252	C	S	.	.	I	π-helix	trans	-98.2	-52.4	-173.9	-171.9	63.1	0	0	0	111	K103 F105 A498 D653	K103-L657 PolarHBondContact NZ-O 2.96Å; F105-L657 HydrophobicContact CB-CD1 3.75Å; F105-L657 HydrophobicContact CD1-CD1 3.28Å; F105-L657 HydrophobicContact CD2-CD1 3.81Å; F105-L657 HydrophobicContact CE1-CD1 3.72Å; F105-L657 HydrophobicContact CE2-CD1 4.22Å; F105-L657 HydrophobicContact CG-CD1 3.32Å; F105-L657 HydrophobicContact CZ-CD1 4.17Å; A498-L657 HydrophobicContact CB-CD1 3.56Å; A498-L657 HydrophobicContact CB-CD2 4.4Å; A498-L657 HydrophobicContact CB-CG 3.7Å; D653-L657 HydrophobicContact CB-CB 4.45Å; D653-L657 WeakPolarHBondContact O-CA 3.48Å; D653-L657 WeakPolarHBondContact O-CB 3.32Å; D653-L657 PolarHBondContact O-N 2.89Å
658	Y	91.1	Very high	92.2	Very high	13 Å²	13	51.6 Å²	51.6	5%	0.051	26%	0.264	C	S	.	.	I	π-helix	trans	-98.8	-46.7	-166	-60.9	-55	0	0	0	115.3	P494 A498 F501 K619 V620 D653	P494-Y658 HydrophobicContact CB-CE1 4.31Å; A498-Y658 HydrophobicContact CB-CD1 4.22Å; A498-Y658 HydrophobicContact CB-CE1 4.12Å; F501-Y658 HydrophobicContact CE1-CE1 4.34Å; F501-Y658 WeakPolarHBondContact CE1-OH 3.23Å; F501-Y658 HydrophobicContact CE2-CE1 4.38Å; F501-Y658 AromaticContact CZ-CE1 3.63Å; F501-Y658 HydrophobicContact CZ-CE1 3.63Å; F501-Y658 AromaticContact CZ-CZ 3.74Å; K619-Y658 HydrophobicContact CB-CD1 3.73Å; K619-Y658 HydrophobicContact CB-CD2 3.99Å; K619-Y658 HydrophobicContact CB-CE1 4.03Å; K619-Y658 HydrophobicContact CB-CE2 4.27Å; K619-Y658 HydrophobicContact CB-CG 3.7Å; K619-Y658 HydrophobicContact CD-CD1 3.64Å; K619-Y658 HydrophobicContact CD-CE1 4.41Å; K619-Y658 HydrophobicContact CD-CG 4.01Å; K619-Y658 HydrophobicContact CG-CD1 4.28Å; V620-Y658 HydrophobicContact CG1-CD2 3.56Å; V620-Y658 HydrophobicContact CG1-CE2 3.73Å; D653-Y658 HydrophobicContact CB-CD2 4.33Å; D653-Y658 HydrophobicContact CB-CE2 4.03Å; D653-Y658 WeakPolarHBondContact O-CD2 3.42Å; D653-Y658 PolarHBondContact O-N 2.9Å; D653-Y658 VanDerWaalsContact O-N 3.07Å
659	S	83.7	Confident	92.1	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.084	25%	0.249	C	C	.	.			trans	-101.5	-25.2	-173.6	54	0	0	0	0	115.1	L654 I661	L654-S659 PolarHBondContact O-N 2.92Å; L654-S659 VanDerWaalsContact O-N 3.1Å; L654-S659 PolarHBondContact O-OG 2.82Å; S659-I661 VanDerWaalsContact O-CG2 3.31Å; S659-I661 WeakPolarHBondContact O-CG2 3.42Å; S659-I661 PolarHBondContact O-N 2.84Å; S659-I661 WeakPolarHBondContact OG-CG1 3.42Å
660	D	86.8	Confident	92.1	Very high	96 Å²	96	48.9 Å²	48.9	51%	0.513	25%	0.25	S	S	.	.			trans	48.8	36.8	-171.8	-63.8	-13	0	0	0	113.5	K103 R655	K103-D660 WeakPolarHBondContact CE-OD2 3.47Å; K103-D660 IonicContact NZ-OD1 3Å; K103-D660 PolarHBondContact NZ-OD1 3.06Å; K103-D660 VanDerWaalsContact NZ-OD1 3.11Å; K103-D660 IonicContact NZ-OD2 3.38Å; K103-D660 PolarHBondContact NZ-OD2 3.14Å; R655-D660 WeakPolarHBondContact O-CA 3.23Å; R655-D660 PolarHBondContact O-N 2.98Å
661	I	91	Very high	91.8	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.036	25%	0.252	C	S	.	.	S	Bend	trans	-120.4	158.9	179.6	71.3	-172.7	0	0	0	110.8	P604 E609 K612 L613 S659 V663	P604-I661 HydrophobicContact CB-CD1 4.41Å; E609-I661 HydrophobicContact CB-CG2 4.24Å; E609-I661 WeakPolarHBondContact OE2-CG2 3.34Å; K612-I661 HydrophobicContact CB-CG2 4.13Å; K612-I661 HydrophobicContact CD-CG2 3.82Å; L613-I661 HydrophobicContact CB-CD1 3.62Å; L613-I661 HydrophobicContact CD1-CD1 4.04Å; L613-I661 HydrophobicContact CG-CD1 4.39Å; S659-I661 VanDerWaalsContact O-CG2 3.31Å; S659-I661 WeakPolarHBondContact O-CG2 3.42Å; S659-I661 PolarHBondContact O-N 2.84Å; S659-I661 WeakPolarHBondContact OG-CG1 3.42Å; I661-V663 HydrophobicContact CD1-CG2 4.09Å; I661-V663 HydrophobicContact CG1-CG2 3.67Å
662	D	92.6	Very high	91.8	Very high	128 Å²	128	49 Å²	49	68%	0.684	25%	0.251	S	S	*	.			trans	-81.2	121.9	170	-68.7	-36	0	0	0	110.1	A605	A605-D662 HydrophobicContact CB-CB 3.88Å; A605-D662 WeakPolarHBondContact CB-O 3.27Å; A605-D662 PolarHBondContact N-O 2.91Å
663	V	94.1	Very high	91.8	Very high	10 Å²	10	46 Å²	46	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119	-176.1	-175.9	0	0	0	0	109.5	V602 E603 L613 M651 R655 I661 V665	V602-V663 HydrophobicContact CB-CG1 3.99Å; V602-V663 HydrophobicContact CG1-CG1 4.41Å; E603-V663 CarbonylContact O-C 3.57Å; E603-V663 WeakPolarHBondContact O-CA 3.26Å; E603-V663 WeakPolarHBondContact O-CG1 3.32Å; L613-V663 HydrophobicContact CD1-CG1 4.29Å; L613-V663 HydrophobicContact CD1-CG2 3.99Å; M651-V663 HydrophobicContact CE-CB 4.28Å; M651-V663 HydrophobicContact CE-CG1 3.94Å; R655-V663 HydrophobicContact CG-CB 4.17Å; R655-V663 HydrophobicContact CG-CG2 4.05Å; R655-V663 PolarHBondContact NH2-O 2.91Å; I661-V663 HydrophobicContact CD1-CG2 4.09Å; I661-V663 HydrophobicContact CG1-CG2 3.67Å; V663-V665 HydrophobicContact CG1-CG2 4.31Å
664	K	94.1	Very high	91.9	Very high	126 Å²	126	45.5 Å²	45.5	55%	0.548	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.8	167.6	-67.1	176.7	178.5	171.7	0	108.7	V602 E603 A605	V602-K664 WeakPolarHBondContact CA-O 3.25Å; E603-K664 PolarHBondContact N-O 2.96Å; E603-K664 PolarHBondContact O-N 2.77Å; A605-K664 HydrophobicContact CB-CG 4.43Å
665	V	94.1	Very high	91.9	Very high	55 Å²	55	45.8 Å²	45.8	33%	0.333	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.1	-176.3	171.4	0	0	0	0	107.4	I600 V602 M651 V663	I600-V665 HydrophobicContact CG2-CG1 3.49Å; I600-V665 VanDerWaalsContact CG2-CG1 3.49Å; V602-V665 HydrophobicContact CG1-CG2 4.29Å; M651-V665 HydrophobicContact CE-CG2 3.39Å; M651-V665 HydrophobicContact SD-CG2 4.18Å; V663-V665 HydrophobicContact CG1-CG2 4.31Å
666	A	92.5	Very high	92	Very high	44 Å²	44	41.3 Å²	41.3	36%	0.364	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-75.7	162.3	172.9	0	0	0	0	0	111	A601	A601-A666 HydrophobicContact CB-CB 3.93Å; A601-A666 PolarHBondContact O-N 3.03Å
667	D	92.1	Very high	92.2	Very high	122 Å²	122	37.5 Å²	37.5	65%	0.652	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-56.7	138.5	174.8	-71.4	-24.3	0	0	0	111.3	V669	D667-V669 PolarHBondContact O-N 2.6Å
668	P	93	Very high	92.4	Very high	42 Å²	42	42.7 Å²	42.7	27%	0.273	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-64.3	136.7	179.5	29.3	-35.1	0	0	0	109.9	V598 I600 F891	V598-P668 HydrophobicContact CG1-CB 3.99Å; I600-P668 HydrophobicContact CD1-CB 4.37Å; I600-P668 HydrophobicContact CG1-CB 3.96Å; P668-F891 HydrophobicContact CB-CD1 4.13Å; P668-F891 HydrophobicContact CB-CE1 3.72Å; P668-F891 HydrophobicContact CB-CE2 4.1Å; P668-F891 HydrophobicContact CB-CZ 3.72Å; P668-F891 HydrophobicContact CG-CD1 3.89Å; P668-F891 HydrophobicContact CG-CD2 4.08Å; P668-F891 HydrophobicContact CG-CE1 4.02Å; P668-F891 HydrophobicContact CG-CE2 4.17Å; P668-F891 HydrophobicContact CG-CG 3.95Å; P668-F891 HydrophobicContact CG-CZ 4.16Å; P668-F891 WeakPolarHBondContact O-CE2 3.06Å
669	V	92.5	Very high	92.5	Very high	23 Å²	23	45.5 Å²	45.5	14%	0.139	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	-175.4	173.8	-67.3	0	0	0	0	109.8	K599 D667	K599-V669 HydrophobicContact CB-CG2 3.89Å; K599-V669 HydrophobicContact CD-CG2 3.98Å; K599-V669 HydrophobicContact CG-CG2 3.85Å; K599-V669 PolarHBondContact N-O 3.17Å; K599-V669 WeakPolarHBondContact O-CG2 3.39Å; K599-V669 PolarHBondContact O-N 3.39Å; D667-V669 PolarHBondContact O-N 2.6Å
670	V	93.2	Very high	92.7	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.8	179.5	-57.7	0	0	0	0	110.4	V597 F672 P840 V887 I888 F891	V597-V670 WeakPolarHBondContact O-CA 3.21Å; V670-F672 HydrophobicContact CG2-CD1 4Å; V670-F672 HydrophobicContact CG2-CD2 4.44Å; V670-F672 HydrophobicContact CG2-CE1 3.5Å; V670-F672 VanDerWaalsContact CG2-CE1 3.5Å; V670-F672 HydrophobicContact CG2-CE2 3.99Å; V670-F672 HydrophobicContact CG2-CG 4.45Å; V670-F672 HydrophobicContact CG2-CZ 3.49Å; V670-F672 VanDerWaalsContact CG2-CZ 3.49Å; V670-P840 HydrophobicContact CB-CG 3.91Å; V670-P840 HydrophobicContact CG1-CG 4.33Å; V670-P840 HydrophobicContact CG2-CG 4.26Å; V670-V887 HydrophobicContact CG1-CB 3.69Å; V670-V887 HydrophobicContact CG1-CG1 3.48Å; V670-V887 VanDerWaalsContact CG1-CG1 3.48Å; V670-I888 HydrophobicContact CG1-CB 4.21Å; V670-I888 HydrophobicContact CG1-CD1 4.28Å; V670-I888 HydrophobicContact CG2-CB 4.42Å; V670-I888 HydrophobicContact CG2-CD1 4.25Å; V670-F891 HydrophobicContact CG1-CE2 4.48Å; V670-F891 HydrophobicContact CG1-CZ 4.19Å
671	A	89.5	Confident	92.6	Very high	5 Å²	5	45.3 Å²	45.3	4%	0.041	26%	0.258	C	S	.	.			trans	-73.7	125.1	161.6	0	0	0	0	0	108.4	V597 W914	V597-A671 PolarHBondContact O-N 3.3Å; A671-W914 VanDerWaalsContact O-CH2 3.27Å; A671-W914 WeakPolarHBondContact O-CH2 3.4Å; A671-W914 WeakPolarHBondContact O-CZ3 3.36Å
672	F	93.6	Very high	92.3	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.031	26%	0.26	C	S	.	.			trans	-87.2	171.7	173.7	-63	-76.6	0	0	0	110.5	V670 E792 E839 F943	V670-F672 HydrophobicContact CG2-CD1 4Å; V670-F672 HydrophobicContact CG2-CD2 4.44Å; V670-F672 HydrophobicContact CG2-CE1 3.5Å; V670-F672 VanDerWaalsContact CG2-CE1 3.5Å; V670-F672 HydrophobicContact CG2-CE2 3.99Å; V670-F672 HydrophobicContact CG2-CG 4.45Å; V670-F672 HydrophobicContact CG2-CZ 3.49Å; V670-F672 VanDerWaalsContact CG2-CZ 3.49Å; F672-E792 HydrophobicContact CB-CG 4.46Å; F672-E792 WeakPolarHBondContact O-CB 3.35Å; F672-E839 HydrophobicContact CD1-CB 4.3Å; F672-E839 HydrophobicContact CE1-CB 4.23Å; F672-F943 HydrophobicContact CE1-CB 4.15Å; F672-F943 AromaticContact CE1-CD2 3.62Å; F672-F943 HydrophobicContact CE1-CD2 3.62Å; F672-F943 HydrophobicContact CE1-CE2 4.18Å; F672-F943 AromaticContact CE1-CG 3.96Å; F672-F943 HydrophobicContact CE1-CG 3.96Å; F672-F943 HydrophobicContact CE2-CB 4.13Å; F672-F943 HydrophobicContact CE2-CG 4.46Å; F672-F943 HydrophobicContact CZ-CB 3.74Å; F672-F943 HydrophobicContact CZ-CD1 4.14Å; F672-F943 AromaticContact CZ-CD2 3.78Å; F672-F943 HydrophobicContact CZ-CD2 3.78Å; F672-F943 HydrophobicContact CZ-CE2 4.41Å; F672-F943 AromaticContact CZ-CG 3.63Å; F672-F943 HydrophobicContact CZ-CG 3.63Å
673	C	94.3	Very high	92.1	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.054	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	162.5	164.2	-71.5	0	0	0	0	109.5	P793 R795 L837 M838 W914	C673-P793 CarbonylContact C-O 3.49Å; C673-P793 VanDerWaalsContact CA-O 3.27Å; C673-P793 WeakPolarHBondContact CA-O 3.48Å; C673-P793 WeakPolarHBondContact CB-O 3.5Å; C673-R795 HydrophobicContact CB-CB 4.15Å; C673-L837 CarbonylContact O-C 3.56Å; C673-M838 HydrophobicContact CB-CB 4.18Å; C673-M838 HydrophobicContact CB-CE 3.72Å; C673-M838 PolarHBondContact N-O 3.06Å; C673-M838 PolarHBondContact O-N 2.77Å; C673-W914 HydrophobicContact CB-CD2 4.45Å; C673-W914 HydrophobicContact CB-CE3 4.09Å; C673-W914 HydrophobicContact CB-CZ3 4.22Å; C673-W914 VanDerWaalsContact SG-CH2 3.56Å
674	E	95.2	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.7	-179.7	-51	-176.2	-174.4	0	0	110	P788 L789 C790 P793 I794 R795 F830 L837	E674-P788 WeakPolarHBondContact OE2-CD 3.35Å; E674-P788 VanDerWaalsContact OE2-N 3.17Å; E674-L789 HydrophobicContact CB-CD1 4.4Å; E674-L789 VanDerWaalsContact CD-CB 3.49Å; E674-L789 HydrophobicContact CG-CB 4.26Å; E674-L789 HydrophobicContact CG-CD1 4.25Å; E674-L789 HydrophobicContact CG-CG 4.49Å; E674-L789 WeakPolarHBondContact OE1-CB 3.36Å; E674-L789 PolarHBondContact OE1-N 2.97Å; E674-L789 VanDerWaalsContact OE1-N 3.13Å; E674-L789 WeakPolarHBondContact OE2-CB 3.03Å; E674-L789 PolarHBondContact OE2-N 3.32Å; E674-C790 PolarHBondContact OE1-N 2.89Å; E674-P793 PolarHBondContact N-O 3.07Å; E674-I794 HydrophobicContact CB-CG1 4.42Å; E674-I794 CarbonylContact O-C 3.57Å; E674-I794 WeakPolarHBondContact O-CA 3.41Å; E674-R795 PolarHBondContact O-N 3.12Å; E674-R795 VanDerWaalsContact O-O 3.12Å; E674-F830 HydrophobicContact CB-CE1 4.21Å; E674-F830 HydrophobicContact CB-CE2 4.34Å; E674-F830 HydrophobicContact CB-CZ 3.59Å; E674-L837 HydrophobicContact CG-CD2 4.2Å
675	T	95.5	Very high	91.6	Very high	6 Å²	6	40.2 Å²	40.2	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	168.3	178.6	-169.9	0	0	0	0	111.3	R795 F830 P835 R836 M838 M916	T675-R795 WeakPolarHBondContact CA-O 3.49Å; T675-R795 WeakPolarHBondContact CB-O 3.45Å; T675-R795 PolarHBondContact OG1-O 2.96Å; T675-F830 WeakPolarHBondContact O-CZ 3.19Å; T675-P835 CarbonylContact O-C 3.58Å; T675-P835 WeakPolarHBondContact O-CA 3.4Å; T675-R836 HydrophobicContact CG2-CB 3.88Å; T675-R836 PolarHBondContact N-O 3.32Å; T675-R836 PolarHBondContact O-N 2.95Å; T675-M838 HydrophobicContact CG2-CE 4.2Å; T675-M838 HydrophobicContact CG2-CG 3.59Å; T675-M838 HydrophobicContact CG2-SD 3.84Å; T675-M916 HydrophobicContact CG2-CG 4.08Å
676	V	95	Very high	91.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.7	167.9	-57.8	0	0	0	0	109.7	P701 V797 F830 A833	V676-P701 HydrophobicContact CG2-CB 4.21Å; V676-V797 HydrophobicContact CG1-CG1 4.27Å; V676-V797 HydrophobicContact CG1-CG2 4.15Å; V676-V797 HydrophobicContact CG2-CB 4.41Å; V676-V797 HydrophobicContact CG2-CG1 3.91Å; V676-V797 HydrophobicContact CG2-CG2 3.95Å; V676-F830 HydrophobicContact CG1-CD2 3.47Å; V676-F830 VanDerWaalsContact CG1-CD2 3.47Å; V676-F830 HydrophobicContact CG1-CE2 3.51Å; V676-F830 HydrophobicContact CG1-CG 4.15Å; V676-F830 HydrophobicContact CG1-CZ 4.21Å; V676-A833 HydrophobicContact CB-CB 3.88Å; V676-A833 VanDerWaalsContact CB-O 3.28Å; V676-A833 WeakPolarHBondContact CB-O 3.48Å; V676-A833 HydrophobicContact CG1-CB 3.6Å
677	V	93.4	Very high	91.4	Very high	64 Å²	64	37.9 Å²	37.9	39%	0.388	21%	0.207	S	C	.	.	S	Bend	trans	-108.7	-39.1	176.5	178.1	0	0	0	0	111.3	P701 R836 M916	V677-P701 WeakPolarHBondContact O-CG 3.4Å; V677-R836 HydrophobicContact CG2-CB 4.41Å; V677-R836 HydrophobicContact CG2-CG 3.47Å; V677-R836 VanDerWaalsContact CG2-CG 3.47Å; V677-M916 HydrophobicContact CG2-SD 3.77Å
678	E	93	Very high	91.4	Very high	122 Å²	122	32.1 Å²	32.1	57%	0.57	18%	0.177	S	C	*	.	S	Bend	trans	-116.7	167.4	-179.2	-59.6	-175.1	173.6	0	0	111.1	A833 T834	E678-A833 WeakPolarHBondContact O-CB 3.45Å; E678-T834 HydrophobicContact CB-CG2 4.37Å; E678-T834 WeakPolarHBondContact CB-OG1 3.43Å; E678-T834 PolarHBondContact N-OG1 2.82Å; E678-T834 VanDerWaalsContact N-OG1 3.12Å
679	T	92.7	Very high	91.1	Very high	71 Å²	71	34.7 Å²	34.7	44%	0.436	19%	0.193	S	C	.	.			trans	-70.8	144.8	172.4	-56.2	0	0	0	0	109.6	S681 A699 E700	T679-S681 PolarHBondContact O-N 2.84Å; T679-A699 CarbonylContact C-O 3.59Å; T679-A699 WeakPolarHBondContact CA-O 3.35Å; T679-E700 HydrophobicContact CG2-CG 3.61Å
680	S	89.2	Confident	91	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.07	20%	0.201	C	C	.	.			trans	-52.1	124.8	173.5	56.9	0	0	0	0	111.1	L682 I698 A699	S680-L682 PolarHBondContact O-N 3.36Å; S680-L682 VanDerWaalsContact O-N 3.16Å; S680-L682 PolarHBondContact OG-O 3.37Å; S680-I698 WeakPolarHBondContact OG-CA 3.33Å; S680-I698 VanDerWaalsContact OG-CB 3.23Å; S680-I698 WeakPolarHBondContact OG-CB 3.39Å; S680-I698 WeakPolarHBondContact OG-CG2 3.48Å; S680-A699 PolarHBondContact N-O 2.86Å; S680-A699 PolarHBondContact OG-N 2.69Å
681	S	84.2	Confident	90.8	Very high	95 Å²	95	43.8 Å²	43.8	66%	0.664	23%	0.233	S	C	*	.	S	Bend	trans	-59.6	-26.5	178.6	55.8	0	0	0	0	112.8	T679 M832	T679-S681 PolarHBondContact O-N 2.84Å; S681-M832 PolarHBondContact N-O 3.48Å
682	L	84.6	Confident	90.8	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.073	26%	0.256	C	S	.	.	S	Bend	trans	-125.7	147.2	-174.2	-85.3	170.7	0	0	0	112.2	S680 C684 M967 L971	S680-L682 PolarHBondContact O-N 3.36Å; S680-L682 VanDerWaalsContact O-N 3.16Å; S680-L682 PolarHBondContact OG-O 3.37Å; L682-C684 PolarHBondContact O-N 2.74Å; L682-M967 HydrophobicContact CB-CE 4.08Å; L682-M967 HydrophobicContact CD1-CE 4.23Å; L682-L971 HydrophobicContact CD1-CD2 3.21Å; L682-L971 HydrophobicContact CD1-CG 4.12Å
683	K	88	Confident	90.7	Very high	137 Å²	137	48.9 Å²	48.9	60%	0.596	26%	0.255	S	S	*	.			trans	-78.2	102.8	166.6	-61.4	-175.6	-178.8	-175.6	0	108	T696 I698 L802	K683-T696 HydrophobicContact CB-CG2 3.99Å; K683-I698 HydrophobicContact CB-CG2 4.42Å; K683-I698 HydrophobicContact CG-CG2 4.08Å; K683-L802 HydrophobicContact CD-CD1 3.66Å; K683-L802 HydrophobicContact CG-CD1 3.76Å
684	C	88.3	Confident	90.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.1	-179.2	-62.1	0	0	0	0	110.2	L682 T696 M697 V825 S828 A829 M967	L682-C684 PolarHBondContact O-N 2.74Å; C684-T696 CarbonylContact O-C 3.53Å; C684-T696 VanDerWaalsContact O-CA 3.26Å; C684-T696 WeakPolarHBondContact O-CA 3.24Å; C684-T696 WeakPolarHBondContact O-CG2 3.22Å; C684-M697 PolarHBondContact N-O 2.89Å; C684-M697 PolarHBondContact O-N 2.89Å; C684-V825 WeakPolarHBondContact O-CG2 3.47Å; C684-S828 VanDerWaalsContact SG-C 3.56Å; C684-S828 PolarHBondContact SG-O 3.16Å; C684-S828 VanDerWaalsContact SG-O 3.38Å; C684-A829 HydrophobicContact CB-CB 4.35Å; C684-M967 HydrophobicContact CB-CE 4.39Å
685	F	90.6	Very high	90.5	Very high	13 Å²	13	50.9 Å²	50.9	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	154.4	170.6	65.1	-95.8	0	0	0	111.9	K694 L695 T696 P966 M967 E970	F685-K694 HydrophobicContact CB-CD 4.44Å; F685-K694 HydrophobicContact CB-CG 4.16Å; F685-K694 HydrophobicContact CD2-CD 4.22Å; F685-K694 HydrophobicContact CD2-CG 4.35Å; F685-K694 HydrophobicContact CG-CD 4.43Å; F685-L695 CarbonylContact C-O 3.44Å; F685-L695 WeakPolarHBondContact CA-O 3.27Å; F685-T696 HydrophobicContact CB-CG2 4.48Å; F685-P966 HydrophobicContact CE2-CB 4.07Å; F685-P966 HydrophobicContact CZ-CB 3.9Å; F685-M967 HydrophobicContact CD1-SD 3.64Å; F685-M967 HydrophobicContact CE1-CB 4.19Å; F685-M967 HydrophobicContact CE1-CG 4.45Å; F685-M967 HydrophobicContact CE1-SD 3.5Å; F685-M967 VanDerWaalsContact CE1-SD 3.5Å; F685-M967 HydrophobicContact CE2-CB 4.26Å; F685-M967 HydrophobicContact CG-SD 4.46Å; F685-M967 HydrophobicContact CZ-CB 3.94Å; F685-M967 HydrophobicContact CZ-SD 4.24Å; F685-E970 WeakPolarHBondContact CE1-OE2 3.4Å
686	A	90.9	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.7	168.2	0	0	0	0	0	110.3	K694 L695 T821 R824 V825 D964	A686-K694 WeakPolarHBondContact O-CA 3.4Å; A686-L695 PolarHBondContact N-O 2.94Å; A686-L695 PolarHBondContact O-N 3.22Å; A686-T821 HydrophobicContact CB-CG2 3.78Å; A686-T821 WeakPolarHBondContact O-CG2 3.29Å; A686-R824 HydrophobicContact CB-CB 4.46Å; A686-V825 HydrophobicContact CB-CB 3.81Å; A686-V825 HydrophobicContact CB-CG2 4.44Å; A686-D964 WeakPolarHBondContact CA-OD2 3.42Å
687	E	90.9	Very high	90.4	Very high	49 Å²	49	51 Å²	51	23%	0.229	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.9	176	-65.2	-177.4	177.8	0	0	110.7	N693 K694 T821 R824 D964	E687-N693 CarbonylContact C-O 3.6Å; E687-N693 WeakPolarHBondContact CA-O 3.4Å; E687-K694 HydrophobicContact CG-CB 4.29Å; E687-K694 HydrophobicContact CG-CD 4.45Å; E687-K694 HydrophobicContact CG-CG 4.16Å; E687-T821 PolarHBondContact O-OG1 3.4Å; E687-R824 PolarHBondContact O-NH2 2.99Å; E687-D964 PolarHBondContact N-OD2 3.08Å
688	T	91.4	Very high	90.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	25%	0.249	C	C	.	.			trans	-67.7	154.6	170.5	46.7	0	0	0	0	111	N690 K691 N693 Q817 I818 T821	T688-N690 WeakPolarHBondContact CB-OD1 3.5Å; T688-N690 PolarHBondContact O-N 3.31Å; T688-N690 PolarHBondContact OG1-OD1 3.4Å; T688-K691 WeakPolarHBondContact O-CA 3.36Å; T688-K691 PolarHBondContact O-N 2.91Å; T688-N693 HydrophobicContact CG2-CB 3.76Å; T688-N693 PolarHBondContact N-O 2.77Å; T688-N693 PolarHBondContact OG1-N 2.95Å; T688-N693 PolarHBondContact OG1-ND2 3.01Å; T688-N693 PolarHBondContact OG1-O 3.13Å; T688-Q817 HydrophobicContact CG2-CB 4.14Å; T688-Q817 WeakPolarHBondContact CG2-O 3.44Å; T688-I818 HydrophobicContact CG2-CD1 4.04Å; T688-T821 WeakPolarHBondContact CA-OG1 3.34Å; T688-T821 HydrophobicContact CG2-CG2 4.13Å
689	P	88.2	Confident	90.6	Very high	95 Å²	95	43 Å²	43	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.7	176.7	-29.8	34.8	0	0	0	114.1	K691	P689-K691 VanDerWaalsContact C-N 3.28Å; P689-K691 PolarHBondContact O-N 2.76Å
690	N	89.5	Confident	90.6	Very high	55 Å²	55	41.2 Å²	41.2	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3	174.6	67.2	10.5	0	0	0	115	T688 K692 Q812	T688-N690 WeakPolarHBondContact CB-OD1 3.5Å; T688-N690 PolarHBondContact O-N 3.31Å; T688-N690 PolarHBondContact OG1-OD1 3.4Å; N690-K692 HydrophobicContact CB-CG 4.34Å; N690-K692 WeakPolarHBondContact O-CG 3.41Å; N690-K692 PolarHBondContact O-N 2.88Å; N690-K692 WeakPolarHBondContact OD1-CB 3.47Å; N690-K692 PolarHBondContact OD1-N 3.47Å; N690-Q812 PolarHBondContact ND2-O 2.62Å
691	K	88.5	Confident	91	Very high	163 Å²	163	43.1 Å²	43.1	71%	0.709	22%	0.221	S	C	*	.	S	Bend	trans	57	24.1	-176.7	-55.3	-178.1	178.8	-177	0	114.8	T688 P689	T688-K691 WeakPolarHBondContact O-CA 3.36Å; T688-K691 PolarHBondContact O-N 2.91Å; P689-K691 VanDerWaalsContact C-N 3.28Å; P689-K691 PolarHBondContact O-N 2.76Å
692	K	89.9	Confident	91.4	Very high	118 Å²	118	39.5 Å²	39.5	51%	0.513	19%	0.194	S	C	.	.	S	Bend	trans	-101.7	-21.4	-177.7	-63.8	-63.1	-173.8	-179.1	0	114	N690 Q812	N690-K692 HydrophobicContact CB-CG 4.34Å; N690-K692 WeakPolarHBondContact O-CG 3.41Å; N690-K692 PolarHBondContact O-N 2.88Å; N690-K692 WeakPolarHBondContact OD1-CB 3.47Å; N690-K692 PolarHBondContact OD1-N 3.47Å; K692-Q812 HydrophobicContact CB-CB 4.4Å
693	N	91.2	Very high	91.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.011	21%	0.208	C	C	.	.			trans	-124.1	141.9	176.3	-39.2	-86.1	0	0	0	109.6	E687 T688 L805 S807 Q812 I818	E687-N693 CarbonylContact C-O 3.6Å; E687-N693 WeakPolarHBondContact CA-O 3.4Å; T688-N693 HydrophobicContact CG2-CB 3.76Å; T688-N693 PolarHBondContact N-O 2.77Å; T688-N693 PolarHBondContact OG1-N 2.95Å; T688-N693 PolarHBondContact OG1-ND2 3.01Å; T688-N693 PolarHBondContact OG1-O 3.13Å; N693-L805 CarbonylContact C-O 3.56Å; N693-L805 WeakPolarHBondContact CA-O 3.15Å; N693-S807 PolarHBondContact OD1-N 2.98Å; N693-Q812 PolarHBondContact ND2-O 3.16Å; N693-I818 HydrophobicContact CB-CD1 3.87Å
694	K	92.6	Very high	91.7	Very high	49 Å²	49	45.5 Å²	45.5	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.1	178.6	-177	178.1	176.8	160	0	108.3	F685 A686 E687 A804 L805	F685-K694 HydrophobicContact CB-CD 4.44Å; F685-K694 HydrophobicContact CB-CG 4.16Å; F685-K694 HydrophobicContact CD2-CD 4.22Å; F685-K694 HydrophobicContact CD2-CG 4.35Å; F685-K694 HydrophobicContact CG-CD 4.43Å; A686-K694 WeakPolarHBondContact O-CA 3.4Å; E687-K694 HydrophobicContact CG-CB 4.29Å; E687-K694 HydrophobicContact CG-CD 4.45Å; E687-K694 HydrophobicContact CG-CG 4.16Å; K694-A804 CarbonylContact O-C 3.55Å; K694-A804 WeakPolarHBondContact O-CA 3.45Å; K694-L805 HydrophobicContact CB-CB 4.05Å; K694-L805 HydrophobicContact CB-CD1 4.22Å; K694-L805 HydrophobicContact CB-CG 4.42Å; K694-L805 HydrophobicContact CD-CD1 4.14Å; K694-L805 PolarHBondContact N-O 2.91Å; K694-L805 PolarHBondContact O-N 2.98Å
695	L	92.9	Very high	91.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135	175.2	-62.4	177.2	0	0	0	108.9	F685 A686 I776 A804 T821 A822 V825	F685-L695 CarbonylContact C-O 3.44Å; F685-L695 WeakPolarHBondContact CA-O 3.27Å; A686-L695 PolarHBondContact N-O 2.94Å; A686-L695 PolarHBondContact O-N 3.22Å; L695-I776 HydrophobicContact CD1-CD1 4.29Å; L695-I776 HydrophobicContact CD1-CG1 4.1Å; L695-I776 HydrophobicContact CD2-CD1 3.96Å; L695-A804 HydrophobicContact CD2-CB 3.92Å; L695-T821 HydrophobicContact CD1-CG2 4.48Å; L695-A822 HydrophobicContact CD1-CB 4.05Å; L695-V825 HydrophobicContact CB-CG1 4.19Å; L695-V825 WeakPolarHBondContact O-CG2 3.31Å
696	T	93.9	Very high	91.8	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.067	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.1	177.3	-52.9	0	0	0	0	109.6	K683 C684 F685 L802 D803	K683-T696 HydrophobicContact CB-CG2 3.99Å; C684-T696 CarbonylContact O-C 3.53Å; C684-T696 VanDerWaalsContact O-CA 3.26Å; C684-T696 WeakPolarHBondContact O-CA 3.24Å; C684-T696 WeakPolarHBondContact O-CG2 3.22Å; F685-T696 HydrophobicContact CB-CG2 4.48Å; T696-L802 PolarHBondContact O-N 2.96Å; T696-D803 PolarHBondContact N-O 2.99Å
697	M	94.1	Very high	91.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.3	178.6	-59.9	-171.6	-173.1	0	0	112.2	C684 L755 I776 K800 I801 V825 A829	C684-M697 PolarHBondContact N-O 2.89Å; C684-M697 PolarHBondContact O-N 2.89Å; M697-L755 HydrophobicContact CE-CD1 4.44Å; M697-L755 HydrophobicContact SD-CD1 4.5Å; M697-I776 HydrophobicContact CE-CG2 3.89Å; M697-K800 CarbonylContact C-O 3.56Å; M697-K800 WeakPolarHBondContact CA-O 3.47Å; M697-I801 HydrophobicContact CE-CD1 4.23Å; M697-I801 HydrophobicContact CE-CG1 3.93Å; M697-I801 HydrophobicContact CG-CG1 4.15Å; M697-I801 HydrophobicContact SD-CG1 4.4Å; M697-V825 HydrophobicContact CB-CG2 3.95Å; M697-V825 HydrophobicContact CE-CG1 3.65Å; M697-V825 HydrophobicContact CG-CG1 3.9Å; M697-V825 HydrophobicContact CG-CG2 3.99Å; M697-V825 HydrophobicContact SD-CG1 3.66Å; M697-A829 HydrophobicContact CB-CB 4.31Å
698	I	95	Very high	91.6	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.5	164.5	59.1	167.8	0	0	0	109.8	S680 K683 F799 K800 L802	S680-I698 WeakPolarHBondContact OG-CA 3.33Å; S680-I698 VanDerWaalsContact OG-CB 3.23Å; S680-I698 WeakPolarHBondContact OG-CB 3.39Å; S680-I698 WeakPolarHBondContact OG-CG2 3.48Å; K683-I698 HydrophobicContact CB-CG2 4.42Å; K683-I698 HydrophobicContact CG-CG2 4.08Å; I698-F799 WeakPolarHBondContact O-CA 3.42Å; I698-K800 HydrophobicContact CD1-CB 4.31Å; I698-K800 HydrophobicContact CD1-CD 4.05Å; I698-K800 HydrophobicContact CG1-CB 3.75Å; I698-K800 HydrophobicContact CG1-CD 4.33Å; I698-K800 HydrophobicContact CG1-CG 4.46Å; I698-K800 PolarHBondContact N-O 3.47Å; I698-K800 PolarHBondContact O-N 2.68Å; I698-L802 HydrophobicContact CB-CD1 4.36Å; I698-L802 HydrophobicContact CD1-CD1 4.03Å; I698-L802 HydrophobicContact CD1-CD2 4.17Å; I698-L802 HydrophobicContact CD1-CG 4.33Å; I698-L802 HydrophobicContact CG1-CD1 3.99Å; I698-L802 HydrophobicContact CG1-CD2 4.31Å; I698-L802 HydrophobicContact CG1-CG 4.07Å; I698-L802 HydrophobicContact CG2-CD1 3.53Å; I698-L802 HydrophobicContact CG2-CG 4.35Å
699	A	95.3	Very high	91.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.1	174.8	0	0	0	0	0	109.7	T679 S680 V797 K798 F799 A829 A833	T679-A699 CarbonylContact C-O 3.59Å; T679-A699 WeakPolarHBondContact CA-O 3.35Å; S680-A699 PolarHBondContact N-O 2.86Å; S680-A699 PolarHBondContact OG-N 2.69Å; A699-V797 HydrophobicContact CB-CG1 3.96Å; A699-K798 CarbonylContact C-O 3.58Å; A699-K798 WeakPolarHBondContact CA-O 3.35Å; A699-F799 HydrophobicContact CB-CD1 4.16Å; A699-F799 HydrophobicContact CB-CE1 3.99Å; A699-A829 HydrophobicContact CB-CB 4.12Å; A699-A833 HydrophobicContact CB-CB 3.92Å
700	E	94.7	Very high	91.4	Very high	34 Å²	34	44.8 Å²	44.8	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.2	177.7	-68	176.1	-173.2	0	0	109.5	T679 K798 K800	T679-E700 HydrophobicContact CG2-CG 3.61Å; E700-K798 HydrophobicContact CB-CB 4.23Å; E700-K798 HydrophobicContact CB-CD 4.5Å; E700-K798 PolarHBondContact N-O 2.85Å; E700-K798 WeakPolarHBondContact O-CB 3.48Å; E700-K798 PolarHBondContact O-N 3.38Å; E700-K800 VanDerWaalsContact CD-CE 3.49Å; E700-K800 WeakPolarHBondContact OE1-CE 2.89Å; E700-K800 IonicContact OE1-NZ 3.38Å; E700-K800 PolarHBondContact OE1-NZ 3.33Å; E700-K800 WeakPolarHBondContact OE2-CE 3.45Å; E700-K800 IonicContact OE2-NZ 3.85Å; E700-K800 PolarHBondContact OE2-NZ 3.01Å
701	P	95.6	Very high	91.3	Very high	50 Å²	50	45.5 Å²	45.5	33%	0.325	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.2	171.1	30.3	-37.7	0	0	0	110.7	V676 V677	V676-P701 HydrophobicContact CG2-CB 4.21Å; V677-P701 WeakPolarHBondContact O-CG 3.4Å
702	L	92.7	Very high	90.8	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-76.1	155	170.7	-75.9	174.5	0	0	0	111.9	L706 P752 I754 N796 K798	L702-L706 HydrophobicContact CD2-CD2 3.84Å; L702-P752 VanDerWaalsContact CD1-O 3.28Å; L702-P752 WeakPolarHBondContact CD1-O 3.48Å; L702-I754 HydrophobicContact CD1-CG1 4.2Å; L702-I754 HydrophobicContact CD2-CB 4.25Å; L702-I754 HydrophobicContact CD2-CD1 3.7Å; L702-I754 HydrophobicContact CD2-CG1 3.87Å; L702-N796 PolarHBondContact N-O 3.09Å; L702-K798 HydrophobicContact CD2-CB 3.69Å; L702-K798 HydrophobicContact CD2-CD 4.49Å; L702-K798 HydrophobicContact CD2-CG 4.26Å; L702-K798 HydrophobicContact CG-CB 4.21Å
703	D	91.8	Very high	90.2	Very high	69 Å²	69	39.2 Å²	39.2	37%	0.369	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-62.1	144.4	173.1	-61.4	-54.5	0	0	0	111.3	G705 L706 Y732 W734	D703-G705 PolarHBondContact O-N 2.78Å; D703-L706 HydrophobicContact CB-CB 4.44Å; D703-L706 WeakPolarHBondContact O-CB 3.22Å; D703-L706 PolarHBondContact O-N 3Å; D703-L706 VanDerWaalsContact O-N 3.15Å; D703-Y732 HydrophobicContact CB-CD1 3.79Å; D703-Y732 HydrophobicContact CB-CE1 4.2Å; D703-W734 PolarHBondContact OD2-NE1 3.49Å
704	K	88.8	Confident	89.7	Confident	208 Å²	208	41.8 Å²	41.8	90%	0.904	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130.1	-179.2	-66.7	-176.3	179.2	-178.9	0	110.6	L706	K704-L706 VanDerWaalsContact C-N 3.33Å
705	G	87.6	Confident	89.4	Confident	27 Å²	27	39.4 Å²	39.4	28%	0.278	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-16.6	-178.9	0	0	0	0	0	114.9	D703 A707 E708 D709 Y732	D703-G705 PolarHBondContact O-N 2.78Å; G705-A707 PolarHBondContact O-N 3.31Å; G705-E708 PolarHBondContact O-N 2.85Å; G705-D709 PolarHBondContact O-N 2.75Å; G705-Y732 PolarHBondContact O-OH 3.1Å
706	L	91.5	Very high	88.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-39.9	-177.4	177	54.2	0	0	0	112.7	L702 D703 K704 E708 D709 I710 F728 Y732 W734 I754	L702-L706 HydrophobicContact CD2-CD2 3.84Å; D703-L706 HydrophobicContact CB-CB 4.44Å; D703-L706 WeakPolarHBondContact O-CB 3.22Å; D703-L706 PolarHBondContact O-N 3Å; D703-L706 VanDerWaalsContact O-N 3.15Å; K704-L706 VanDerWaalsContact C-N 3.33Å; L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 2.84Å; L706-D709 WeakPolarHBondContact O-CB 3.37Å; L706-D709 PolarHBondContact O-N 2.7Å; L706-I710 HydrophobicContact CD1-CD1 4.27Å; L706-I710 HydrophobicContact CD1-CG1 4.37Å; L706-I710 HydrophobicContact CG-CD1 4.23Å; L706-I710 VanDerWaalsContact O-CG1 3.3Å; L706-I710 WeakPolarHBondContact O-CG1 3.33Å; L706-I710 PolarHBondContact O-N 2.93Å; L706-I710 VanDerWaalsContact O-N 3.1Å; L706-F728 HydrophobicContact CD1-CD1 4.31Å; L706-F728 HydrophobicContact CD1-CE1 3.45Å; L706-F728 VanDerWaalsContact CD1-CE1 3.45Å; L706-F728 HydrophobicContact CD1-CZ 4Å; L706-F728 HydrophobicContact CD2-CE1 3.84Å; L706-F728 HydrophobicContact CG-CE1 4.26Å; L706-Y732 VanDerWaalsContact CA-OH 3.25Å; L706-Y732 WeakPolarHBondContact CA-OH 3.16Å; L706-Y732 HydrophobicContact CB-CD1 4.42Å; L706-Y732 HydrophobicContact CB-CE1 3.83Å; L706-Y732 HydrophobicContact CB-CE2 4.16Å; L706-Y732 HydrophobicContact CD1-CD2 3.96Å; L706-Y732 HydrophobicContact CD1-CE2 3.54Å; L706-Y732 HydrophobicContact CG-CE2 4.35Å; L706-Y732 PolarHBondContact N-OH 2.64Å; L706-W734 HydrophobicContact CD2-CH2 4.29Å; L706-W734 HydrophobicContact CD2-CZ2 3.73Å; L706-I754 HydrophobicContact CD2-CD1 3.78Å; L706-I754 HydrophobicContact CG-CD1 4.27Å
707	A	90.7	Very high	88.5	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-39.9	174.2	0	0	0	0	0	112.7	G705 D709 I710 E711 P752 N796	G705-A707 PolarHBondContact O-N 3.31Å; A707-D709 VanDerWaalsContact C-N 3.33Å; A707-D709 PolarHBondContact O-N 3.21Å; A707-I710 PolarHBondContact O-N 3.46Å; A707-E711 WeakPolarHBondContact O-CG 3.06Å; A707-E711 PolarHBondContact O-N 3.24Å; A707-P752 HydrophobicContact CB-CB 3.67Å; A707-N796 WeakPolarHBondContact CB-OD1 3.12Å
708	E	87.7	Confident	88	Confident	99 Å²	99	49.6 Å²	49.6	46%	0.463	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-38.3	177.6	-63.3	175.7	-171.7	0	0	111	G705 L706 I710 E711 N712	G705-E708 PolarHBondContact O-N 2.85Å; L706-E708 VanDerWaalsContact C-N 3.31Å; L706-E708 PolarHBondContact O-N 2.84Å; E708-I710 VanDerWaalsContact C-N 3.35Å; E708-I710 PolarHBondContact O-N 3.16Å; E708-E711 PolarHBondContact O-N 3.14Å; E708-N712 WeakPolarHBondContact O-CB 3.48Å; E708-N712 VanDerWaalsContact O-CG 3.25Å; E708-N712 PolarHBondContact O-N 3.37Å; E708-N712 PolarHBondContact O-ND2 3.03Å
709	D	87.6	Confident	87.5	Confident	17 Å²	17	51.2 Å²	51.2	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-39.5	174.5	-77.1	-22.6	0	0	0	112.9	G705 L706 A707 K713 V714 F727 K731 Y732	G705-D709 PolarHBondContact O-N 2.75Å; L706-D709 WeakPolarHBondContact O-CB 3.37Å; L706-D709 PolarHBondContact O-N 2.7Å; A707-D709 VanDerWaalsContact C-N 3.33Å; A707-D709 PolarHBondContact O-N 3.21Å; D709-K713 PolarHBondContact O-N 3.43Å; D709-V714 HydrophobicContact CB-CB 4.22Å; D709-V714 WeakPolarHBondContact O-CB 3.31Å; D709-V714 PolarHBondContact O-N 2.82Å; D709-F727 HydrophobicContact CB-CZ 4.38Å; D709-K731 IonicContact OD1-NZ 2.72Å; D709-K731 PolarHBondContact OD1-NZ 3.4Å; D709-K731 WeakPolarHBondContact OD2-CD 3.35Å; D709-K731 WeakPolarHBondContact OD2-CE 3.45Å; D709-K731 IonicContact OD2-NZ 3.31Å; D709-K731 PolarHBondContact OD2-NZ 3.49Å; D709-Y732 WeakPolarHBondContact OD2-CE2 3.24Å; D709-Y732 PolarHBondContact OD2-OH 2.96Å
710	I	89	Confident	87.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.9	-47	178	-63.1	162	0	0	0	109.9	L706 A707 E708 K713 V715 F745 G751 I754	L706-I710 HydrophobicContact CD1-CD1 4.27Å; L706-I710 HydrophobicContact CD1-CG1 4.37Å; L706-I710 HydrophobicContact CG-CD1 4.23Å; L706-I710 VanDerWaalsContact O-CG1 3.3Å; L706-I710 WeakPolarHBondContact O-CG1 3.33Å; L706-I710 PolarHBondContact O-N 2.93Å; L706-I710 VanDerWaalsContact O-N 3.1Å; A707-I710 PolarHBondContact O-N 3.46Å; E708-I710 VanDerWaalsContact C-N 3.35Å; E708-I710 PolarHBondContact O-N 3.16Å; I710-K713 WeakPolarHBondContact O-CA 3.36Å; I710-K713 PolarHBondContact O-N 2.79Å; I710-V715 HydrophobicContact CB-CG1 4.12Å; I710-V715 HydrophobicContact CG1-CG1 3.47Å; I710-V715 VanDerWaalsContact CG1-CG1 3.47Å; I710-F745 HydrophobicContact CD1-CD1 4.16Å; I710-F745 HydrophobicContact CD1-CE1 4.01Å; I710-F745 HydrophobicContact CD1-CZ 4.43Å; I710-F745 HydrophobicContact CG1-CE1 4.3Å; I710-F745 HydrophobicContact CG1-CE2 4.48Å; I710-F745 HydrophobicContact CG1-CZ 4.22Å; I710-F745 HydrophobicContact CG2-CB 4.39Å; I710-F745 HydrophobicContact CG2-CD1 4.47Å; I710-F745 HydrophobicContact CG2-CD2 3.83Å; I710-F745 HydrophobicContact CG2-CE2 4.17Å; I710-F745 HydrophobicContact CG2-CG 3.99Å; I710-G751 VanDerWaalsContact CG2-O 3.25Å; I710-G751 WeakPolarHBondContact CG2-O 3.34Å; I710-I754 HydrophobicContact CD1-CD1 4.04Å; I710-I754 HydrophobicContact CD1-CG1 3.97Å
711	E	85.7	Confident	86.7	Confident	69 Å²	69	60 Å²	60	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-38.7	179.2	-71.8	-175	142.6	0	0	112.8	A707 E708 K713 P752 R795	A707-E711 WeakPolarHBondContact O-CG 3.06Å; A707-E711 PolarHBondContact O-N 3.24Å; E708-E711 PolarHBondContact O-N 3.14Å; E711-K713 PolarHBondContact O-N 2.97Å; E711-K713 VanDerWaalsContact O-N 3.12Å; E711-P752 HydrophobicContact CG-CB 4.32Å; E711-R795 IonicContact OE1-CZ 3.51Å; E711-R795 IonicContact OE1-NH1 2.71Å; E711-R795 PolarHBondContact OE1-NH1 3.15Å; E711-R795 IonicContact OE1-NH2 2.63Å; E711-R795 IonicContact OE2-CZ 2.64Å; E711-R795 VanDerWaalsContact OE2-CZ 3.27Å; E711-R795 IonicContact OE2-NH1 2.82Å; E711-R795 PolarHBondContact OE2-NH1 3.38Å; E711-R795 IonicContact OE2-NH2 3.72Å; E711-R795 PolarHBondContact OE2-NH2 3.29Å
712	N	79	Confident	86.3	Confident	73 Å²	73	64.6 Å²	64.6	39%	0.39	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	4.3	173.6	-72	-57.4	0	0	0	112.8	E708 V714	E708-N712 WeakPolarHBondContact O-CB 3.48Å; E708-N712 VanDerWaalsContact O-CG 3.25Å; E708-N712 PolarHBondContact O-N 3.37Å; E708-N712 PolarHBondContact O-ND2 3.03Å; N712-V714 HydrophobicContact CB-CG2 4.01Å; N712-V714 PolarHBondContact O-N 3.48Å; N712-V714 VanDerWaalsContact O-N 3.15Å
713	K	77.5	Confident	86.1	Confident	77 Å²	77	70.4 Å²	70.4	34%	0.335	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.8	178.3	-58	177.4	176.1	160.7	0	113.7	N591 D709 I710 E711 V715 T750	N591-K713 PolarHBondContact OD1-NZ 2.76Å; D709-K713 PolarHBondContact O-N 3.43Å; I710-K713 WeakPolarHBondContact O-CA 3.36Å; I710-K713 PolarHBondContact O-N 2.79Å; E711-K713 PolarHBondContact O-N 2.97Å; E711-K713 VanDerWaalsContact O-N 3.12Å; K713-V715 PolarHBondContact O-N 2.8Å; K713-T750 HydrophobicContact CD-CG2 4.5Å; K713-T750 HydrophobicContact CG-CG2 4.01Å
714	V	81.2	Confident	85.9	Confident	55 Å²	55	67.4 Å²	67.4	33%	0.333	33%	0.329	S	S	.	.	S	Bend	trans	-66.3	-30.9	172.8	-177	0	0	0	0	109.8	D709 N712 W719 F727	D709-V714 HydrophobicContact CB-CB 4.22Å; D709-V714 WeakPolarHBondContact O-CB 3.31Å; D709-V714 PolarHBondContact O-N 2.82Å; N712-V714 HydrophobicContact CB-CG2 4.01Å; N712-V714 PolarHBondContact O-N 3.48Å; N712-V714 VanDerWaalsContact O-N 3.15Å; V714-W719 WeakPolarHBondContact O-CH2 3.21Å; V714-W719 WeakPolarHBondContact O-CZ3 3.37Å; V714-F727 HydrophobicContact CG1-CE2 3.69Å; V714-F727 HydrophobicContact CG1-CZ 3.94Å
715	V	84.9	Confident	85.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-120.4	139.5	172.7	63.1	0	0	0	0	110.3	I710 K713 L724 F727 F728 F745	I710-V715 HydrophobicContact CB-CG1 4.12Å; I710-V715 HydrophobicContact CG1-CG1 3.47Å; I710-V715 VanDerWaalsContact CG1-CG1 3.47Å; K713-V715 PolarHBondContact O-N 2.8Å; V715-L724 HydrophobicContact CG2-CD1 3.31Å; V715-F727 HydrophobicContact CB-CD1 4.15Å; V715-F727 HydrophobicContact CB-CE1 3.91Å; V715-F727 HydrophobicContact CB-CZ 4.35Å; V715-F727 HydrophobicContact CG1-CE1 4.33Å; V715-F727 HydrophobicContact CG2-CD1 4.12Å; V715-F727 HydrophobicContact CG2-CE1 4.34Å; V715-F728 HydrophobicContact CG2-CE2 3.98Å; V715-F728 HydrophobicContact CG2-CZ 4.46Å; V715-F745 HydrophobicContact CG1-CE2 4.13Å; V715-F745 HydrophobicContact CG1-CZ 4.06Å; V715-F745 HydrophobicContact CG2-CE2 4.27Å; V715-F745 HydrophobicContact CG2-CZ 4.05Å
716	Q	83.8	Confident	85.9	Confident	57 Å²	57	58.9 Å²	58.9	27%	0.266	29%	0.287	S	S	.	.			trans	-133.4	138.8	178.3	-62.9	176.8	-3.6	0	0	109.8	T718 W719	Q716-T718 PolarHBondContact O-N 3.32Å; Q716-T718 PolarHBondContact OE1-OG1 3Å; Q716-W719 HydrophobicContact CB-CD2 4.46Å; Q716-W719 HydrophobicContact CB-CG 4.27Å; Q716-W719 WeakPolarHBondContact O-CB 3.47Å; Q716-W719 PolarHBondContact O-N 3.35Å
717	I	85	Confident	85.8	Confident	55 Å²	55	60.6 Å²	60.6	28%	0.282	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.6	177.4	-162.6	64	0	0	0	112.6	W719 L724 I742 F745	I717-W719 PolarHBondContact O-N 3.34Å; I717-L724 HydrophobicContact CD1-CD2 4.32Å; I717-I742 HydrophobicContact CD1-CG2 3.97Å; I717-F745 HydrophobicContact CB-CD2 4.29Å; I717-F745 HydrophobicContact CB-CE2 4.39Å
718	T	83.7	Confident	85.8	Confident	113 Å²	113	60.5 Å²	60.5	69%	0.693	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.5	177.4	56.5	0	0	0	0	113	Q716	Q716-T718 PolarHBondContact O-N 3.32Å; Q716-T718 PolarHBondContact OE1-OG1 3Å
719	W	84.2	Confident	85.9	Confident	53 Å²	53	60 Å²	60	20%	0.201	29%	0.292	C	S	.	.	S	Bend	trans	-69.5	153.3	178.2	-71.7	4.4	0	0	0	111.8	V714 Q716 I717 K721 R723	V714-W719 WeakPolarHBondContact O-CH2 3.21Å; V714-W719 WeakPolarHBondContact O-CZ3 3.37Å; Q716-W719 HydrophobicContact CB-CD2 4.46Å; Q716-W719 HydrophobicContact CB-CG 4.27Å; Q716-W719 WeakPolarHBondContact O-CB 3.47Å; Q716-W719 PolarHBondContact O-N 3.35Å; I717-W719 PolarHBondContact O-N 3.34Å; W719-K721 PolarHBondContact O-N 3.48Å; W719-R723 HydrophobicContact CD2-CG 4.46Å; W719-R723 HydrophobicContact CE3-CG 3.8Å; W719-R723 HydrophobicContact CZ3-CG 4.28Å
720	P	87.1	Confident	86	Confident	92 Å²	92	67.3 Å²	67.3	60%	0.597	32%	0.323	S	S	*	.			trans	-56	134.9	171.1	-23.1	32.7	0	0	0	110.9	K722 R723 L724	P720-K722 PolarHBondContact O-N 3.38Å; P720-R723 PolarHBondContact O-N 2.89Å; P720-L724 PolarHBondContact O-N 2.94Å; P720-L724 VanDerWaalsContact O-N 3.11Å
721	K	86.2	Confident	86	Confident	126 Å²	126	72.3 Å²	72.3	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-51.1	-28.8	-178.2	-67.6	-170.1	176	-168.4	0	114.4	W719 G725	W719-K721 PolarHBondContact O-N 3.48Å; K721-G725 PolarHBondContact O-N 3.01Å
722	K	87.5	Confident	86.2	Confident	147 Å²	147	70.7 Å²	70.7	64%	0.639	34%	0.336	S	S	*	.	H	α-helix	trans	-64.9	-49.6	175.5	-172.1	-178.2	177.8	-176.1	0	111.8	P720 L724 G725 D726	P720-K722 PolarHBondContact O-N 3.38Å; K722-L724 VanDerWaalsContact C-N 3.31Å; K722-L724 PolarHBondContact O-N 2.98Å; K722-G725 PolarHBondContact O-N 3.02Å; K722-D726 PolarHBondContact O-N 3.41Å
723	R	87.7	Confident	86.8	Confident	140 Å²	140	74 Å²	74	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-38.9	177.7	-177.8	-179.6	176.5	170.9	1.6	111.1	W719 P720 D726 F727	W719-R723 HydrophobicContact CD2-CG 4.46Å; W719-R723 HydrophobicContact CE3-CG 3.8Å; W719-R723 HydrophobicContact CZ3-CG 4.28Å; P720-R723 PolarHBondContact O-N 2.89Å; R723-D726 PolarHBondContact O-N 3.17Å; R723-F727 PolarHBondContact O-N 2.88Å; R723-F727 VanDerWaalsContact O-N 3.08Å
724	L	87.3	Confident	87.3	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-59.3	-50.3	173.3	-169.6	68	0	0	0	110.5	V715 I717 P720 K722 D726 F727 F728 I742	V715-L724 HydrophobicContact CG2-CD1 3.31Å; I717-L724 HydrophobicContact CD1-CD2 4.32Å; P720-L724 PolarHBondContact O-N 2.94Å; P720-L724 VanDerWaalsContact O-N 3.11Å; K722-L724 VanDerWaalsContact C-N 3.31Å; K722-L724 PolarHBondContact O-N 2.98Å; L724-D726 PolarHBondContact O-N 3.05Å; L724-F727 WeakPolarHBondContact O-CB 3.38Å; L724-F727 PolarHBondContact O-N 3.46Å; L724-F728 HydrophobicContact CD1-CD2 4.16Å; L724-F728 HydrophobicContact CD1-CE2 3.69Å; L724-F728 HydrophobicContact CG-CD2 4.15Å; L724-F728 HydrophobicContact CG-CE2 4.06Å; L724-F728 WeakPolarHBondContact O-CD2 3.22Å; L724-F728 PolarHBondContact O-N 3.42Å; L724-I742 HydrophobicContact CD2-CB 4.23Å; L724-I742 HydrophobicContact CD2-CD1 4.36Å; L724-I742 HydrophobicContact CD2-CG2 4.5Å
725	G	87.9	Confident	87.6	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-55.5	-48.4	176	0	0	0	0	0	113.2	K721 K722 F727 F728 Q729	K721-G725 PolarHBondContact O-N 3.01Å; K722-G725 PolarHBondContact O-N 3.02Å; G725-F727 VanDerWaalsContact C-N 3.27Å; G725-F727 PolarHBondContact O-N 3.43Å; G725-F728 PolarHBondContact O-N 3.41Å; G725-Q729 VanDerWaalsContact O-CB 3.29Å; G725-Q729 WeakPolarHBondContact O-CB 3.38Å; G725-Q729 PolarHBondContact O-N 3.33Å
726	D	89.4	Confident	87.6	Confident	56 Å²	56	77.7 Å²	77.7	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-33.3	179.7	-64	-17.8	0	0	0	112.3	K722 R723 L724 K730	K722-D726 PolarHBondContact O-N 3.41Å; R723-D726 PolarHBondContact O-N 3.17Å; L724-D726 PolarHBondContact O-N 3.05Å; D726-K730 VanDerWaalsContact O-CB 3.31Å; D726-K730 WeakPolarHBondContact O-CB 3.22Å; D726-K730 WeakPolarHBondContact O-CG 3.38Å; D726-K730 PolarHBondContact O-N 3.23Å; D726-K730 VanDerWaalsContact O-N 3.12Å
727	F	89.4	Confident	87.6	Confident	36 Å²	36	82.2 Å²	82.2	16%	0.158	40%	0.398	C	S	.	.	H	α-helix	trans	-67.2	-52.8	177	176.3	-94.9	0	0	0	111.5	D709 V714 V715 R723 L724 G725 Q729 K730 K731 Y732	D709-F727 HydrophobicContact CB-CZ 4.38Å; V714-F727 HydrophobicContact CG1-CE2 3.69Å; V714-F727 HydrophobicContact CG1-CZ 3.94Å; V715-F727 HydrophobicContact CB-CD1 4.15Å; V715-F727 HydrophobicContact CB-CE1 3.91Å; V715-F727 HydrophobicContact CB-CZ 4.35Å; V715-F727 HydrophobicContact CG1-CE1 4.33Å; V715-F727 HydrophobicContact CG2-CD1 4.12Å; V715-F727 HydrophobicContact CG2-CE1 4.34Å; R723-F727 PolarHBondContact O-N 2.88Å; R723-F727 VanDerWaalsContact O-N 3.08Å; L724-F727 WeakPolarHBondContact O-CB 3.38Å; L724-F727 PolarHBondContact O-N 3.46Å; G725-F727 VanDerWaalsContact C-N 3.27Å; G725-F727 PolarHBondContact O-N 3.43Å; F727-Q729 VanDerWaalsContact C-N 3.33Å; F727-Q729 PolarHBondContact O-N 2.62Å; F727-K730 PolarHBondContact O-N 2.88Å; F727-K731 HydrophobicContact CE2-CD 4.11Å; F727-K731 HydrophobicContact CZ-CD 3.86Å; F727-K731 WeakPolarHBondContact O-CB 3.37Å; F727-K731 PolarHBondContact O-N 3.42Å; F727-Y732 HydrophobicContact CE1-CE2 4.14Å; F727-Y732 HydrophobicContact CZ-CE2 4.44Å
728	F	90.2	Very high	87.6	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-64.9	-37.3	-179.9	-81	-80.6	0	0	0	112.2	L706 V715 L724 G725 Y732 D733 W734 I742 F745 I754	L706-F728 HydrophobicContact CD1-CD1 4.31Å; L706-F728 HydrophobicContact CD1-CE1 3.45Å; L706-F728 VanDerWaalsContact CD1-CE1 3.45Å; L706-F728 HydrophobicContact CD1-CZ 4Å; L706-F728 HydrophobicContact CD2-CE1 3.84Å; L706-F728 HydrophobicContact CG-CE1 4.26Å; V715-F728 HydrophobicContact CG2-CE2 3.98Å; V715-F728 HydrophobicContact CG2-CZ 4.46Å; L724-F728 HydrophobicContact CD1-CD2 4.16Å; L724-F728 HydrophobicContact CD1-CE2 3.69Å; L724-F728 HydrophobicContact CG-CD2 4.15Å; L724-F728 HydrophobicContact CG-CE2 4.06Å; L724-F728 WeakPolarHBondContact O-CD2 3.22Å; L724-F728 PolarHBondContact O-N 3.42Å; G725-F728 PolarHBondContact O-N 3.41Å; F728-Y732 HydrophobicContact CD1-CD2 4.42Å; F728-Y732 CarbonylContact O-C 3.59Å; F728-Y732 PolarHBondContact O-N 3.2Å; F728-Y732 VanDerWaalsContact O-N 3.14Å; F728-D733 PolarHBondContact O-N 3Å; F728-W734 HydrophobicContact CB-CB 4.05Å; F728-W734 HydrophobicContact CB-CD2 4.26Å; F728-W734 HydrophobicContact CB-CE3 4.18Å; F728-W734 HydrophobicContact CB-CG 4.23Å; F728-W734 AromaticContact CD1-CD2 3.7Å; F728-W734 HydrophobicContact CD1-CD2 3.7Å; F728-W734 AromaticContact CD1-CE3 3.6Å; F728-W734 HydrophobicContact CD1-CE3 3.6Å; F728-W734 HydrophobicContact CD1-CG 4.32Å; F728-W734 HydrophobicContact CD1-CH2 4.17Å; F728-W734 HydrophobicContact CD1-CZ2 4.24Å; F728-W734 AromaticContact CD1-CZ3 3.84Å; F728-W734 HydrophobicContact CD1-CZ3 3.84Å; F728-W734 HydrophobicContact CE1-CD2 4.46Å; F728-W734 HydrophobicContact CE1-CE3 4.19Å; F728-W734 AromaticContact CE1-CH2 3.99Å; F728-W734 HydrophobicContact CE1-CH2 3.99Å; F728-W734 HydrophobicContact CE1-CZ2 4.25Å; F728-W734 AromaticContact CE1-CZ3 3.94Å; F728-W734 HydrophobicContact CE1-CZ3 3.94Å; F728-W734 HydrophobicContact CG-CD2 4.31Å; F728-W734 HydrophobicContact CG-CE3 4.01Å; F728-W734 HydrophobicContact CG-CZ3 4.45Å; F728-W734 PolarHBondContact O-N 3.01Å; F728-I742 HydrophobicContact CD1-CD1 4.43Å; F728-I742 HydrophobicContact CD2-CD1 3.59Å; F728-I742 HydrophobicContact CE1-CD1 4.16Å; F728-I742 HydrophobicContact CE2-CD1 3.29Å; F728-I742 HydrophobicContact CG-CD1 4.17Å; F728-I742 HydrophobicContact CZ-CD1 3.61Å; F728-F745 HydrophobicContact CZ-CE1 4.43Å; F728-F745 HydrophobicContact CZ-CZ 4.32Å; F728-I754 HydrophobicContact CE1-CD1 3.92Å; F728-I754 HydrophobicContact CZ-CD1 3.98Å
729	Q	89.5	Confident	87.7	Confident	90 Å²	90	75.2 Å²	75.2	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-41.1	176.3	-172.9	-179.9	20.2	0	0	112.3	G725 F727 D733	G725-Q729 VanDerWaalsContact O-CB 3.29Å; G725-Q729 WeakPolarHBondContact O-CB 3.38Å; G725-Q729 PolarHBondContact O-N 3.33Å; F727-Q729 VanDerWaalsContact C-N 3.33Å; F727-Q729 PolarHBondContact O-N 2.62Å; Q729-D733 WeakPolarHBondContact O-CA 3.48Å; Q729-D733 PolarHBondContact O-N 3.33Å
730	K	90.2	Very high	87.7	Confident	170 Å²	170	78.3 Å²	78.3	74%	0.739	37%	0.372	S	S	*	.	H	α-helix	trans	-80.4	-35	-175.5	-73.9	176.7	-178	-179.8	0	114.2	D726 F727	D726-K730 VanDerWaalsContact O-CB 3.31Å; D726-K730 WeakPolarHBondContact O-CB 3.22Å; D726-K730 WeakPolarHBondContact O-CG 3.38Å; D726-K730 PolarHBondContact O-N 3.23Å; D726-K730 VanDerWaalsContact O-N 3.12Å; F727-K730 PolarHBondContact O-N 2.88Å
731	K	89	Confident	87.8	Confident	105 Å²	105	74.8 Å²	74.8	46%	0.457	35%	0.349	S	S	.	.	H	α-helix	trans	-96.4	-32.6	-172.4	-168.9	170.6	-179.4	175.9	0	113.1	D709 F727	D709-K731 IonicContact OD1-NZ 2.72Å; D709-K731 PolarHBondContact OD1-NZ 3.4Å; D709-K731 WeakPolarHBondContact OD2-CD 3.35Å; D709-K731 WeakPolarHBondContact OD2-CE 3.45Å; D709-K731 IonicContact OD2-NZ 3.31Å; D709-K731 PolarHBondContact OD2-NZ 3.49Å; F727-K731 HydrophobicContact CE2-CD 4.11Å; F727-K731 HydrophobicContact CZ-CD 3.86Å; F727-K731 WeakPolarHBondContact O-CB 3.37Å; F727-K731 PolarHBondContact O-N 3.42Å
732	Y	90.3	Very high	88.1	Confident	35 Å²	35	69.1 Å²	69.1	14%	0.137	33%	0.325	C	S	.	.	H	α-helix	trans	-124.2	7	-173.2	-64.4	-75.6	0	0	0	113.2	D703 G705 L706 D709 F727 F728 W734	D703-Y732 HydrophobicContact CB-CD1 3.79Å; D703-Y732 HydrophobicContact CB-CE1 4.2Å; G705-Y732 PolarHBondContact O-OH 3.1Å; L706-Y732 VanDerWaalsContact CA-OH 3.25Å; L706-Y732 WeakPolarHBondContact CA-OH 3.16Å; L706-Y732 HydrophobicContact CB-CD1 4.42Å; L706-Y732 HydrophobicContact CB-CE1 3.83Å; L706-Y732 HydrophobicContact CB-CE2 4.16Å; L706-Y732 HydrophobicContact CD1-CD2 3.96Å; L706-Y732 HydrophobicContact CD1-CE2 3.54Å; L706-Y732 HydrophobicContact CG-CE2 4.35Å; L706-Y732 PolarHBondContact N-OH 2.64Å; D709-Y732 WeakPolarHBondContact OD2-CE2 3.24Å; D709-Y732 PolarHBondContact OD2-OH 2.96Å; F727-Y732 HydrophobicContact CE1-CE2 4.14Å; F727-Y732 HydrophobicContact CZ-CE2 4.44Å; F728-Y732 HydrophobicContact CD1-CD2 4.42Å; F728-Y732 CarbonylContact O-C 3.59Å; F728-Y732 PolarHBondContact O-N 3.2Å; F728-Y732 VanDerWaalsContact O-N 3.14Å; Y732-W734 VanDerWaalsContact O-CD1 3.26Å; Y732-W734 PolarHBondContact O-N 3.03Å; Y732-W734 VanDerWaalsContact O-N 3.17Å
733	D	90.1	Very high	88.3	Confident	141 Å²	141	63 Å²	63	75%	0.754	30%	0.298	S	S	*	.			trans	55	31.6	179.8	-60.1	-36.9	0	0	0	114.2	F728 Q729	F728-D733 PolarHBondContact O-N 3Å; Q729-D733 WeakPolarHBondContact O-CA 3.48Å; Q729-D733 PolarHBondContact O-N 3.33Å
734	W	89.1	Confident	88.5	Confident	18 Å²	18	56.6 Å²	56.6	7%	0.068	28%	0.275	C	S	.	.			trans	-73.1	145.6	177.7	-75.9	21.3	0	0	0	112.2	D703 L706 F728 Y732 I742 I754 M756 K798	D703-W734 PolarHBondContact OD2-NE1 3.49Å; L706-W734 HydrophobicContact CD2-CH2 4.29Å; L706-W734 HydrophobicContact CD2-CZ2 3.73Å; F728-W734 HydrophobicContact CB-CB 4.05Å; F728-W734 HydrophobicContact CB-CD2 4.26Å; F728-W734 HydrophobicContact CB-CE3 4.18Å; F728-W734 HydrophobicContact CB-CG 4.23Å; F728-W734 AromaticContact CD1-CD2 3.7Å; F728-W734 HydrophobicContact CD1-CD2 3.7Å; F728-W734 AromaticContact CD1-CE3 3.6Å; F728-W734 HydrophobicContact CD1-CE3 3.6Å; F728-W734 HydrophobicContact CD1-CG 4.32Å; F728-W734 HydrophobicContact CD1-CH2 4.17Å; F728-W734 HydrophobicContact CD1-CZ2 4.24Å; F728-W734 AromaticContact CD1-CZ3 3.84Å; F728-W734 HydrophobicContact CD1-CZ3 3.84Å; F728-W734 HydrophobicContact CE1-CD2 4.46Å; F728-W734 HydrophobicContact CE1-CE3 4.19Å; F728-W734 AromaticContact CE1-CH2 3.99Å; F728-W734 HydrophobicContact CE1-CH2 3.99Å; F728-W734 HydrophobicContact CE1-CZ2 4.25Å; F728-W734 AromaticContact CE1-CZ3 3.94Å; F728-W734 HydrophobicContact CE1-CZ3 3.94Å; F728-W734 HydrophobicContact CG-CD2 4.31Å; F728-W734 HydrophobicContact CG-CE3 4.01Å; F728-W734 HydrophobicContact CG-CZ3 4.45Å; F728-W734 PolarHBondContact O-N 3.01Å; Y732-W734 VanDerWaalsContact O-CD1 3.26Å; Y732-W734 PolarHBondContact O-N 3.03Å; Y732-W734 VanDerWaalsContact O-N 3.17Å; W734-I742 HydrophobicContact CE3-CD1 4.39Å; W734-I742 HydrophobicContact CZ3-CD1 3.84Å; W734-I742 HydrophobicContact CZ3-CG1 4.19Å; W734-I754 HydrophobicContact CH2-CD1 3.73Å; W734-I754 HydrophobicContact CZ2-CD1 4.46Å; W734-I754 HydrophobicContact CZ3-CD1 4.47Å; W734-M756 HydrophobicContact CE3-SD 4.26Å; W734-M756 HydrophobicContact CH2-SD 3.79Å; W734-M756 HydrophobicContact CZ3-SD 3.36Å; W734-M756 WeakPolarHBondContact CZ3-SD 3.47Å; W734-K798 HydrophobicContact CH2-CD 4.29Å; W734-K798 HydrophobicContact CZ2-CD 4.39Å
735	D	87	Confident	88.8	Confident	127 Å²	127	56.4 Å²	56.4	68%	0.679	27%	0.274	S	S	*	.			trans	-60.2	145.8	171.6	-73.9	-35.9	0	0	0	112.1	L737 A738 S739	D735-L737 PolarHBondContact O-N 3.15Å; D735-A738 HydrophobicContact CB-CB 4.37Å; D735-A738 PolarHBondContact O-N 3.36Å; D735-S739 WeakPolarHBondContact O-CB 3.33Å; D735-S739 PolarHBondContact O-N 2.93Å; D735-S739 PolarHBondContact O-OG 2.99Å
736	L	84.4	Confident	88.7	Confident	66 Å²	66	56.4 Å²	56.4	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-30.5	179.6	-171	66.2	0	0	0	112.5	S739 R740	L736-S739 WeakPolarHBondContact CA-OG 3.12Å; L736-S739 PolarHBondContact O-OG 2.99Å; L736-R740 WeakPolarHBondContact O-CB 3.43Å; L736-R740 WeakPolarHBondContact O-CD 3.18Å; L736-R740 WeakPolarHBondContact O-CG 3.26Å; L736-R740 PolarHBondContact O-N 3.03Å
737	L	84.9	Confident	88.6	Confident	152 Å²	152	54.4 Å²	54.4	80%	0.796	26%	0.264	S	S	*	.	H	α-helix	trans	-70.4	-50.3	177	-67.5	175.5	0	0	0	111	D735 R740 S741	D735-L737 PolarHBondContact O-N 3.15Å; L737-R740 PolarHBondContact O-N 2.87Å; L737-S741 PolarHBondContact O-N 2.87Å
738	A	85.1	Confident	88.4	Confident	20 Å²	20	56.6 Å²	56.6	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-42.4	179.5	0	0	0	0	0	112.3	D735 R740 S741 M756	D735-A738 HydrophobicContact CB-CB 4.37Å; D735-A738 PolarHBondContact O-N 3.36Å; A738-R740 VanDerWaalsContact C-N 3.27Å; A738-R740 PolarHBondContact O-N 2.58Å; A738-S741 PolarHBondContact O-N 2.9Å; A738-S741 VanDerWaalsContact O-N 3.16Å; A738-S741 PolarHBondContact O-OG 3.12Å; A738-M756 HydrophobicContact CB-CE 4.42Å
739	S	85	Confident	88	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.6	-26.8	179.8	59.4	0	0	0	0	113.5	D735 L736	D735-S739 WeakPolarHBondContact O-CB 3.33Å; D735-S739 PolarHBondContact O-N 2.93Å; D735-S739 PolarHBondContact O-OG 2.99Å; L736-S739 WeakPolarHBondContact CA-OG 3.12Å; L736-S739 PolarHBondContact O-OG 2.99Å
740	R	84.5	Confident	87.7	Confident	119 Å²	119	57.7 Å²	57.7	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-85.2	-14.5	175.4	-72.5	178	179.3	-169.4	2.4	113.9	L736 L737 A738	L736-R740 WeakPolarHBondContact O-CB 3.43Å; L736-R740 WeakPolarHBondContact O-CD 3.18Å; L736-R740 WeakPolarHBondContact O-CG 3.26Å; L736-R740 PolarHBondContact O-N 3.03Å; L737-R740 PolarHBondContact O-N 2.87Å; A738-R740 VanDerWaalsContact C-N 3.27Å; A738-R740 PolarHBondContact O-N 2.58Å
741	S	89	Confident	87.5	Confident	18 Å²	18	49.8 Å²	49.8	13%	0.126	26%	0.263	C	S	.	.			trans	-94.1	4.5	-177.8	75.3	0	0	0	0	114.2	L737 A738 W743 D757	L737-S741 PolarHBondContact O-N 2.87Å; A738-S741 PolarHBondContact O-N 2.9Å; A738-S741 VanDerWaalsContact O-N 3.16Å; A738-S741 PolarHBondContact O-OG 3.12Å; S741-W743 PolarHBondContact O-N 2.81Å; S741-D757 WeakPolarHBondContact CB-O 3.34Å; S741-D757 PolarHBondContact O-N 2.86Å; S741-D757 PolarHBondContact OG-O 2.93Å
742	I	91.8	Very high	87.6	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.9	170.9	-57.8	171.4	0	0	0	109.8	I717 L724 F728 W734 F745 I754 M756	I717-I742 HydrophobicContact CD1-CG2 3.97Å; L724-I742 HydrophobicContact CD2-CB 4.23Å; L724-I742 HydrophobicContact CD2-CD1 4.36Å; L724-I742 HydrophobicContact CD2-CG2 4.5Å; F728-I742 HydrophobicContact CD1-CD1 4.43Å; F728-I742 HydrophobicContact CD2-CD1 3.59Å; F728-I742 HydrophobicContact CE1-CD1 4.16Å; F728-I742 HydrophobicContact CE2-CD1 3.29Å; F728-I742 HydrophobicContact CG-CD1 4.17Å; F728-I742 HydrophobicContact CZ-CD1 3.61Å; W734-I742 HydrophobicContact CE3-CD1 4.39Å; W734-I742 HydrophobicContact CZ3-CD1 3.84Å; W734-I742 HydrophobicContact CZ3-CG1 4.19Å; I742-F745 HydrophobicContact CG2-CE1 4.14Å; I742-I754 HydrophobicContact CG1-CG2 4.13Å; I742-I754 HydrophobicContact CG2-CG2 3.86Å; I742-M756 HydrophobicContact CG1-CG 4.17Å; I742-M756 HydrophobicContact CG1-SD 4.14Å
743	W	91.6	Very high	87.9	Confident	18 Å²	18	43.6 Å²	43.6	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-45.3	-178.9	-78.4	13	0	0	0	113.4	S741 L755 D757 L769 K773 I776 V777 I801	S741-W743 PolarHBondContact O-N 2.81Å; W743-L755 HydrophobicContact CB-CD2 4.37Å; W743-L755 HydrophobicContact CB-CG 4.49Å; W743-L755 HydrophobicContact CE3-CD2 4.04Å; W743-L755 PolarHBondContact N-O 3.42Å; W743-D757 HydrophobicContact CD2-CB 4.33Å; W743-D757 VanDerWaalsContact CE2-CB 3.47Å; W743-D757 HydrophobicContact CH2-CB 4.47Å; W743-D757 HydrophobicContact CZ2-CB 3.56Å; W743-D757 VanDerWaalsContact NE1-CB 3.3Å; W743-L769 HydrophobicContact CH2-CD1 3.82Å; W743-L769 HydrophobicContact CH2-CD2 3.83Å; W743-L769 HydrophobicContact CH2-CG 3.62Å; W743-L769 HydrophobicContact CZ2-CD2 3.86Å; W743-L769 HydrophobicContact CZ2-CG 3.99Å; W743-K773 HydrophobicContact CD2-CD 4.36Å; W743-K773 HydrophobicContact CD2-CG 3.88Å; W743-K773 HydrophobicContact CE3-CG 3.69Å; W743-K773 HydrophobicContact CG-CG 4.5Å; W743-K773 HydrophobicContact CH2-CG 4.36Å; W743-K773 HydrophobicContact CZ3-CB 4.42Å; W743-K773 HydrophobicContact CZ3-CG 3.95Å; W743-I776 HydrophobicContact CZ3-CB 4.39Å; W743-I776 HydrophobicContact CZ3-CD1 4.12Å; W743-I776 HydrophobicContact CZ3-CG2 4.28Å; W743-V777 HydrophobicContact CB-CG2 4.47Å; W743-I801 HydrophobicContact CE3-CD1 3.99Å; W743-I801 HydrophobicContact CH2-CD1 3.85Å; W743-I801 HydrophobicContact CZ3-CD1 3.45Å; W743-I801 VanDerWaalsContact CZ3-CD1 3.45Å
744	A	92.7	Very high	88.1	Confident	5 Å²	5	36.9 Å²	36.9	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.7	-174.6	0	0	0	0	0	111.5	L755 V777	A744-L755 PolarHBondContact O-N 2.93Å; A744-V777 HydrophobicContact CB-CB 4.38Å; A744-V777 HydrophobicContact CB-CG1 3.58Å; A744-V777 HydrophobicContact CB-CG2 3.9Å
745	F	93	Very high	88.4	Confident	1 Å²	1	36 Å²	36	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	152.5	161.6	-59.2	-42.7	0	0	0	109.7	I710 V715 I717 F728 I742 D748 N753 I754 Q781	I710-F745 HydrophobicContact CD1-CD1 4.16Å; I710-F745 HydrophobicContact CD1-CE1 4.01Å; I710-F745 HydrophobicContact CD1-CZ 4.43Å; I710-F745 HydrophobicContact CG1-CE1 4.3Å; I710-F745 HydrophobicContact CG1-CE2 4.48Å; I710-F745 HydrophobicContact CG1-CZ 4.22Å; I710-F745 HydrophobicContact CG2-CB 4.39Å; I710-F745 HydrophobicContact CG2-CD1 4.47Å; I710-F745 HydrophobicContact CG2-CD2 3.83Å; I710-F745 HydrophobicContact CG2-CE2 4.17Å; I710-F745 HydrophobicContact CG2-CG 3.99Å; V715-F745 HydrophobicContact CG1-CE2 4.13Å; V715-F745 HydrophobicContact CG1-CZ 4.06Å; V715-F745 HydrophobicContact CG2-CE2 4.27Å; V715-F745 HydrophobicContact CG2-CZ 4.05Å; I717-F745 HydrophobicContact CB-CD2 4.29Å; I717-F745 HydrophobicContact CB-CE2 4.39Å; F728-F745 HydrophobicContact CZ-CE1 4.43Å; F728-F745 HydrophobicContact CZ-CZ 4.32Å; I742-F745 HydrophobicContact CG2-CE1 4.14Å; F745-D748 CarbonylContact C-O 3.56Å; F745-N753 WeakPolarHBondContact CA-O 3.2Å; F745-I754 HydrophobicContact CD1-CG1 3.87Å; F745-I754 HydrophobicContact CE1-CD1 4.04Å; F745-I754 HydrophobicContact CE1-CG1 3.79Å; F745-I754 HydrophobicContact CE1-CG2 4.43Å; F745-Q781 PolarHBondContact O-NE2 3.11Å
746	G	86.2	Confident	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.4	-179.6	0	0	0	0	0	111.8	G751 N753	G746-G751 CarbonylContact O-C 3.53Å; G746-G751 WeakPolarHBondContact O-CA 3.4Å; G746-N753 PolarHBondContact N-O 3.14Å; G746-N753 VanDerWaalsContact N-O 3.14Å; G746-N753 WeakPolarHBondContact O-CB 3.49Å; G746-N753 PolarHBondContact O-N 3.17Å; G746-N753 VanDerWaalsContact O-N 3.1Å; G746-N753 PolarHBondContact O-ND2 3.13Å
747	P	87	Confident	89.1	Confident	14 Å²	14	27.9 Å²	27.9	9%	0.091	16%	0.156	C	C	.	.	S	Bend	cis	-76.7	-28.5	9.1	28.6	-34.2	0	0	0	115.3	Q781 T784 R785	P747-Q781 VanDerWaalsContact O-CB 3.3Å; P747-Q781 WeakPolarHBondContact O-CB 3.33Å; P747-Q781 WeakPolarHBondContact O-CG 3.47Å; P747-T784 WeakPolarHBondContact CA-OG1 3.43Å; P747-R785 HydrophobicContact CB-CB 3.71Å; P747-R785 HydrophobicContact CB-CG 4.32Å
748	D	85.5	Confident	89.3	Confident	83 Å²	83	24 Å²	24	44%	0.444	14%	0.136	S	C	.	.	S	Bend	trans	-110	179.4	176.3	-54.3	-37.3	0	0	0	110.1	F745 T750 G751 R785	F745-D748 CarbonylContact C-O 3.56Å; D748-T750 PolarHBondContact O-N 2.96Å; D748-G751 PolarHBondContact O-N 2.85Å; D748-R785 IonicContact OD1-CZ 3.72Å; D748-R785 IonicContact OD1-NE 3.66Å; D748-R785 IonicContact OD1-NH2 2.63Å; D748-R785 PolarHBondContact OD1-NH2 2.89Å
749	A	81.6	Confident	89.6	Confident	61 Å²	61	23.5 Å²	23.5	50%	0.504	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.6	-177.7	0	0	0	0	0	114.5
750	T	83.1	Confident	89.6	Confident	51 Å²	51	28 Å²	28	31%	0.313	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	27.8	176.2	59.4	0	0	0	0	111.7	K713 D748	K713-T750 HydrophobicContact CD-CG2 4.5Å; K713-T750 HydrophobicContact CG-CG2 4.01Å; D748-T750 PolarHBondContact O-N 2.96Å
751	G	85.9	Confident	89.5	Confident	5 Å²	5	27.2 Å²	27.2	5%	0.052	16%	0.164	C	C	.	.			trans	-76.9	154.6	-179.8	0	0	0	0	0	113.2	I710 G746 D748 N753	I710-G751 VanDerWaalsContact CG2-O 3.25Å; I710-G751 WeakPolarHBondContact CG2-O 3.34Å; G746-G751 CarbonylContact O-C 3.53Å; G746-G751 WeakPolarHBondContact O-CA 3.4Å; D748-G751 PolarHBondContact O-N 2.85Å; G751-N753 PolarHBondContact O-N 3.47Å
752	P	92.5	Very high	89.3	Confident	10 Å²	10	31.3 Å²	31.3	7%	0.065	19%	0.193	C	C	.	.	S	Bend	trans	-80.5	31.2	-170.1	35	-39.1	0	0	0	114.6	L702 A707 E711 R795 N796	L702-P752 VanDerWaalsContact CD1-O 3.28Å; L702-P752 WeakPolarHBondContact CD1-O 3.48Å; A707-P752 HydrophobicContact CB-CB 3.67Å; E711-P752 HydrophobicContact CG-CB 4.32Å; P752-R795 HydrophobicContact CB-CB 4.41Å; P752-R795 HydrophobicContact CB-CG 3.91Å; P752-R795 HydrophobicContact CG-CB 3.75Å; P752-R795 HydrophobicContact CG-CG 3.72Å; P752-N796 PolarHBondContact O-N 3.33Å
753	N	95.1	Very high	89	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.5	178	-52.7	-61.9	0	0	0	110.6	F745 G746 G751 F780 T784 I794 R795 N796 V797	F745-N753 WeakPolarHBondContact CA-O 3.2Å; G746-N753 PolarHBondContact N-O 3.14Å; G746-N753 VanDerWaalsContact N-O 3.14Å; G746-N753 WeakPolarHBondContact O-CB 3.49Å; G746-N753 PolarHBondContact O-N 3.17Å; G746-N753 VanDerWaalsContact O-N 3.1Å; G746-N753 PolarHBondContact O-ND2 3.13Å; G751-N753 PolarHBondContact O-N 3.47Å; N753-F780 HydrophobicContact CB-CZ 3.98Å; N753-T784 HydrophobicContact CB-CG2 4.39Å; N753-I794 PolarHBondContact ND2-O 2.8Å; N753-R795 VanDerWaalsContact OD1-CA 3.27Å; N753-R795 WeakPolarHBondContact OD1-CA 3.43Å; N753-R795 PolarHBondContact OD1-N 2.85Å; N753-N796 PolarHBondContact OD1-N 2.89Å; N753-V797 VanDerWaalsContact CA-O 3.29Å; N753-V797 WeakPolarHBondContact CA-O 3.33Å; N753-V797 WeakPolarHBondContact CB-O 3.33Å; N753-V797 PolarHBondContact OD1-N 3.43Å; N753-V797 VanDerWaalsContact OD1-N 3.16Å
754	I	94.8	Very high	88.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.6	-178.3	-56	-173.6	0	0	0	109.8	L702 L706 I710 F728 W734 I742 F745 M756 V797 F799	L702-I754 HydrophobicContact CD1-CG1 4.2Å; L702-I754 HydrophobicContact CD2-CB 4.25Å; L702-I754 HydrophobicContact CD2-CD1 3.7Å; L702-I754 HydrophobicContact CD2-CG1 3.87Å; L706-I754 HydrophobicContact CD2-CD1 3.78Å; L706-I754 HydrophobicContact CG-CD1 4.27Å; I710-I754 HydrophobicContact CD1-CD1 4.04Å; I710-I754 HydrophobicContact CD1-CG1 3.97Å; F728-I754 HydrophobicContact CE1-CD1 3.92Å; F728-I754 HydrophobicContact CZ-CD1 3.98Å; W734-I754 HydrophobicContact CH2-CD1 3.73Å; W734-I754 HydrophobicContact CZ2-CD1 4.46Å; W734-I754 HydrophobicContact CZ3-CD1 4.47Å; I742-I754 HydrophobicContact CG1-CG2 4.13Å; I742-I754 HydrophobicContact CG2-CG2 3.86Å; F745-I754 HydrophobicContact CD1-CG1 3.87Å; F745-I754 HydrophobicContact CE1-CD1 4.04Å; F745-I754 HydrophobicContact CE1-CG1 3.79Å; F745-I754 HydrophobicContact CE1-CG2 4.43Å; I754-M756 HydrophobicContact CG2-CG 3.59Å; I754-M756 HydrophobicContact CG2-SD 4.27Å; I754-V797 PolarHBondContact N-O 3.26Å; I754-F799 PolarHBondContact O-N 3.23Å
755	L	95.1	Very high	88.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	165.9	-178.3	67.6	0	0	0	109.9	M697 W743 A744 I776 V777 F780 F799 I801	M697-L755 HydrophobicContact CE-CD1 4.44Å; M697-L755 HydrophobicContact SD-CD1 4.5Å; W743-L755 HydrophobicContact CB-CD2 4.37Å; W743-L755 HydrophobicContact CB-CG 4.49Å; W743-L755 HydrophobicContact CE3-CD2 4.04Å; W743-L755 PolarHBondContact N-O 3.42Å; A744-L755 PolarHBondContact O-N 2.93Å; L755-I776 HydrophobicContact CD2-CG2 4.13Å; L755-V777 HydrophobicContact CD2-CG2 4.16Å; L755-F780 HydrophobicContact CB-CD1 3.79Å; L755-F780 HydrophobicContact CB-CD2 4.4Å; L755-F780 HydrophobicContact CB-CE1 3.68Å; L755-F780 HydrophobicContact CB-CE2 4.32Å; L755-F780 HydrophobicContact CB-CG 4.14Å; L755-F780 HydrophobicContact CB-CZ 3.96Å; L755-F780 HydrophobicContact CD1-CD2 4.24Å; L755-F780 HydrophobicContact CD1-CG 4.32Å; L755-F780 HydrophobicContact CD2-CB 4.07Å; L755-F780 HydrophobicContact CD2-CD1 4.05Å; L755-F780 HydrophobicContact CD2-CG 4.01Å; L755-F780 HydrophobicContact CG-CD1 4.42Å; L755-F780 HydrophobicContact CG-CG 4.39Å; L755-F799 HydrophobicContact CD1-CB 3.99Å; L755-I801 HydrophobicContact CD1-CD1 4.19Å; L755-I801 HydrophobicContact CD1-CG1 4.14Å
756	M	93	Very high	88.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.1	179	-52.3	-162.2	-35.6	0	0	112.5	W734 A738 I742 I754 K798 F799 K800 I801	W734-M756 HydrophobicContact CE3-SD 4.26Å; W734-M756 HydrophobicContact CH2-SD 3.79Å; W734-M756 HydrophobicContact CZ3-SD 3.36Å; W734-M756 WeakPolarHBondContact CZ3-SD 3.47Å; A738-M756 HydrophobicContact CB-CE 4.42Å; I742-M756 HydrophobicContact CG1-CG 4.17Å; I742-M756 HydrophobicContact CG1-SD 4.14Å; I754-M756 HydrophobicContact CG2-CG 3.59Å; I754-M756 HydrophobicContact CG2-SD 4.27Å; M756-K798 HydrophobicContact CE-CD 4.27Å; M756-K798 HydrophobicContact CE-CG 4.43Å; M756-K798 WeakPolarHBondContact SD-CE 3.1Å; M756-K798 HydrophobicContact SD-CG 4.47Å; M756-F799 PolarHBondContact N-O 2.93Å; M756-K800 HydrophobicContact CE-CD 4.17Å; M756-K800 HydrophobicContact CE-CG 3.84Å; M756-K800 WeakPolarHBondContact O-CA 3.41Å; M756-I801 PolarHBondContact O-N 3.13Å
757	D	92.9	Very high	88.3	Confident	20 Å²	20	48.6 Å²	48.6	11%	0.107	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	107.9	168.8	171.3	21.8	0	0	0	110.2	S741 W743 T759 K766	S741-D757 WeakPolarHBondContact CB-O 3.34Å; S741-D757 PolarHBondContact O-N 2.86Å; S741-D757 PolarHBondContact OG-O 2.93Å; W743-D757 HydrophobicContact CD2-CB 4.33Å; W743-D757 VanDerWaalsContact CE2-CB 3.47Å; W743-D757 HydrophobicContact CH2-CB 4.47Å; W743-D757 HydrophobicContact CZ2-CB 3.56Å; W743-D757 VanDerWaalsContact NE1-CB 3.3Å; D757-T759 WeakPolarHBondContact OD1-CB 3.33Å; D757-T759 WeakPolarHBondContact OD1-CG2 3.35Å; D757-T759 PolarHBondContact OD1-N 3.39Å; D757-T759 PolarHBondContact OD1-OG1 3.17Å; D757-K766 IonicContact OD1-NZ 3.67Å; D757-K766 PolarHBondContact OD1-NZ 3.49Å; D757-K766 IonicContact OD2-NZ 3.39Å; D757-K766 PolarHBondContact OD2-NZ 3.24Å
758	D	90.8	Very high	88.4	Confident	72 Å²	72	50.1 Å²	50.1	39%	0.385	29%	0.287	S	S	.	.			trans	-111.2	23.7	175.8	-152.8	14.1	0	0	0	110.9	K800 I801 L802	D758-K800 HydrophobicContact CB-CB 4.25Å; D758-K800 HydrophobicContact CB-CD 4.48Å; D758-I801 CarbonylContact C-O 3.23Å; D758-I801 VanDerWaalsContact C-O 3.3Å; D758-I801 WeakPolarHBondContact CA-O 3.49Å; D758-I801 PolarHBondContact N-O 3.47Å; D758-L802 HydrophobicContact CB-CD2 4.26Å
759	T	89.4	Confident	88.6	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.049	27%	0.266	C	S	.	.			trans	-78.8	139.2	177.9	66	0	0	0	0	110.7	D757 V764 K766 L769 I801	D757-T759 WeakPolarHBondContact OD1-CB 3.33Å; D757-T759 WeakPolarHBondContact OD1-CG2 3.35Å; D757-T759 PolarHBondContact OD1-N 3.39Å; D757-T759 PolarHBondContact OD1-OG1 3.17Å; T759-V764 HydrophobicContact CG2-CG2 4.18Å; T759-K766 WeakPolarHBondContact O-CE 3.38Å; T759-K766 PolarHBondContact O-NZ 2.81Å; T759-K766 PolarHBondContact OG1-NZ 3.49Å; T759-L769 HydrophobicContact CG2-CD2 4.37Å; T759-I801 HydrophobicContact CG2-CB 4.33Å; T759-I801 HydrophobicContact CG2-CG2 3.75Å; T759-I801 WeakPolarHBondContact CG2-O 3.21Å; T759-I801 PolarHBondContact N-O 3.34Å
760	L	86.7	Confident	89.1	Confident	95 Å²	95	48 Å²	48	50%	0.497	27%	0.267	S	S	.	.			trans	-79.4	134.8	175	-70.1	168.9	0	0	0	110.3	S762 E763 V764	L760-S762 PolarHBondContact O-N 3.13Å; L760-E763 HydrophobicContact CB-CG 4.33Å; L760-E763 PolarHBondContact O-N 2.82Å; L760-V764 PolarHBondContact O-N 2.89Å; L760-V764 VanDerWaalsContact O-N 3.15Å
761	P	81.5	Confident	89.4	Confident	102 Å²	102	48.7 Å²	48.7	66%	0.662	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.6	175.7	-23.4	33	0	0	0	114.7	K766	P761-K766 HydrophobicContact CB-CG 4.4Å
762	S	86	Confident	89.8	Confident	105 Å²	105	48.4 Å²	48.4	73%	0.734	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-23.8	175.1	49.8	0	0	0	0	113.6	L760	L760-S762 PolarHBondContact O-N 3.13Å
763	E	85.3	Confident	89.8	Confident	126 Å²	126	50.6 Å²	50.6	59%	0.589	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-38.9	-173.8	-64.9	177.4	176.2	0	0	111.3	L760	L760-E763 HydrophobicContact CB-CG 4.33Å; L760-E763 PolarHBondContact O-N 2.82Å
764	V	84.7	Confident	89.6	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.042	30%	0.304	C	S	.	.	S	Bend	trans	-119.4	131.8	-175.9	-179	0	0	0	0	110.6	T759 L760 K766 L769 D803 A804	T759-V764 HydrophobicContact CG2-CG2 4.18Å; L760-V764 PolarHBondContact O-N 2.89Å; L760-V764 VanDerWaalsContact O-N 3.15Å; V764-K766 PolarHBondContact O-N 2.89Å; V764-L769 HydrophobicContact CG1-CB 4.17Å; V764-L769 HydrophobicContact CG1-CD2 4.2Å; V764-D803 WeakPolarHBondContact CG2-OD1 3.34Å; V764-A804 HydrophobicContact CG1-CB 4.2Å
765	D	87.6	Confident	89.6	Confident	84 Å²	84	59.5 Å²	59.5	45%	0.449	32%	0.319	S	S	.	.			trans	-68.4	102.9	168.9	-176.4	-4.4	0	0	0	110	N767 L768 L769	D765-N767 PolarHBondContact O-N 3.49Å; D765-N767 WeakPolarHBondContact OD1-CB 3.32Å; D765-N767 PolarHBondContact OD1-N 2.78Å; D765-L768 HydrophobicContact CB-CB 4.2Å; D765-L768 HydrophobicContact CB-CD1 4.03Å; D765-L768 HydrophobicContact CB-CG 4.26Å; D765-L768 PolarHBondContact O-N 2.9Å; D765-L768 VanDerWaalsContact O-N 3.16Å; D765-L768 WeakPolarHBondContact OD2-CD1 3.4Å; D765-L768 WeakPolarHBondContact OD2-CG 3.34Å; D765-L769 PolarHBondContact O-N 3.35Å
766	K	87	Confident	89.6	Confident	55 Å²	55	59.5 Å²	59.5	24%	0.239	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-30.7	179.7	-67.6	-65.3	-168.7	177.5	0	112.8	D757 T759 P761 V764 L769 L770	D757-K766 IonicContact OD1-NZ 3.67Å; D757-K766 PolarHBondContact OD1-NZ 3.49Å; D757-K766 IonicContact OD2-NZ 3.39Å; D757-K766 PolarHBondContact OD2-NZ 3.24Å; T759-K766 WeakPolarHBondContact O-CE 3.38Å; T759-K766 PolarHBondContact O-NZ 2.81Å; T759-K766 PolarHBondContact OG1-NZ 3.49Å; P761-K766 HydrophobicContact CB-CG 4.4Å; V764-K766 PolarHBondContact O-N 2.89Å; K766-L769 HydrophobicContact CD-CD2 4.49Å; K766-L769 PolarHBondContact O-N 3.38Å; K766-L770 WeakPolarHBondContact O-CB 3.46Å; K766-L770 VanDerWaalsContact O-CG 3.24Å; K766-L770 WeakPolarHBondContact O-CG 3.4Å; K766-L770 PolarHBondContact O-N 3.49Å
767	N	88.8	Confident	89.7	Confident	121 Å²	121	60.3 Å²	60.3	65%	0.647	32%	0.324	S	S	*	.	H	α-helix	trans	-69.3	-44.3	179.1	-65.4	-43.9	0	0	0	110.7	D765 L770 T771	D765-N767 PolarHBondContact O-N 3.49Å; D765-N767 WeakPolarHBondContact OD1-CB 3.32Å; D765-N767 PolarHBondContact OD1-N 2.78Å; N767-L770 PolarHBondContact O-N 3.27Å; N767-T771 WeakPolarHBondContact O-CG2 3.45Å; N767-T771 PolarHBondContact O-N 2.95Å
768	L	89.5	Confident	89.7	Confident	46 Å²	46	64 Å²	64	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-63.8	-42	174.4	-72.5	174.2	0	0	0	111.2	D765 L770 T771	D765-L768 HydrophobicContact CB-CB 4.2Å; D765-L768 HydrophobicContact CB-CD1 4.03Å; D765-L768 HydrophobicContact CB-CG 4.26Å; D765-L768 PolarHBondContact O-N 2.9Å; D765-L768 VanDerWaalsContact O-N 3.16Å; D765-L768 WeakPolarHBondContact OD2-CD1 3.4Å; D765-L768 WeakPolarHBondContact OD2-CG 3.34Å; L768-L770 VanDerWaalsContact C-N 3.35Å; L768-L770 PolarHBondContact O-N 3.41Å; L768-T771 PolarHBondContact O-N 2.81Å; L768-T771 VanDerWaalsContact O-N 3.16Å; L768-T771 PolarHBondContact O-OG1 3.47Å
769	L	90.3	Very high	89.9	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-41.9	176.8	-174.6	61.2	0	0	0	112.9	W743 T759 V764 D765 K766 T771 V772 K773 I776 A804 I806	W743-L769 HydrophobicContact CH2-CD1 3.82Å; W743-L769 HydrophobicContact CH2-CD2 3.83Å; W743-L769 HydrophobicContact CH2-CG 3.62Å; W743-L769 HydrophobicContact CZ2-CD2 3.86Å; W743-L769 HydrophobicContact CZ2-CG 3.99Å; T759-L769 HydrophobicContact CG2-CD2 4.37Å; V764-L769 HydrophobicContact CG1-CB 4.17Å; V764-L769 HydrophobicContact CG1-CD2 4.2Å; D765-L769 PolarHBondContact O-N 3.35Å; K766-L769 HydrophobicContact CD-CD2 4.49Å; K766-L769 PolarHBondContact O-N 3.38Å; L769-T771 PolarHBondContact O-N 3.21Å; L769-V772 HydrophobicContact CD1-CG2 4.38Å; L769-V772 VanDerWaalsContact O-CG2 3.27Å; L769-V772 WeakPolarHBondContact O-CG2 3.41Å; L769-V772 PolarHBondContact O-N 2.75Å; L769-K773 PolarHBondContact O-N 3.18Å; L769-I776 HydrophobicContact CD1-CD1 4.16Å; L769-A804 HydrophobicContact CD1-CB 3.72Å; L769-I806 VanDerWaalsContact CA-CD1 3.5Å; L769-I806 HydrophobicContact CB-CD1 4.1Å; L769-I806 HydrophobicContact CD1-CD1 3.65Å
770	L	90.2	Very high	90.1	Very high	100 Å²	100	60.3 Å²	60.3	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-28.6	177.7	-74.2	169.4	0	0	0	112.9	K766 N767 L768 V772 K773	K766-L770 WeakPolarHBondContact O-CB 3.46Å; K766-L770 VanDerWaalsContact O-CG 3.24Å; K766-L770 WeakPolarHBondContact O-CG 3.4Å; K766-L770 PolarHBondContact O-N 3.49Å; N767-L770 PolarHBondContact O-N 3.27Å; L768-L770 VanDerWaalsContact C-N 3.35Å; L768-L770 PolarHBondContact O-N 3.41Å; L770-V772 VanDerWaalsContact C-N 3.28Å; L770-V772 PolarHBondContact O-N 3.02Å; L770-K773 HydrophobicContact CD2-CD 4.37Å; L770-K773 WeakPolarHBondContact O-CB 3.24Å; L770-K773 PolarHBondContact O-N 3.01Å
771	T	91.5	Very high	90.5	Very high	64 Å²	64	58.1 Å²	58.1	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-67.5	-27.2	177.9	68.2	0	0	0	0	114	N767 L768 L769 R813	N767-T771 WeakPolarHBondContact O-CG2 3.45Å; N767-T771 PolarHBondContact O-N 2.95Å; L768-T771 PolarHBondContact O-N 2.81Å; L768-T771 VanDerWaalsContact O-N 3.16Å; L768-T771 PolarHBondContact O-OG1 3.47Å; L769-T771 PolarHBondContact O-N 3.21Å; T771-R813 PolarHBondContact OG1-NH1 3.42Å
772	V	92.3	Very high	91.1	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-103.9	1.9	-179.9	-62.4	0	0	0	0	112.7	L769 L770 D774 Y775 I776 I806 R813 I818	L769-V772 HydrophobicContact CD1-CG2 4.38Å; L769-V772 VanDerWaalsContact O-CG2 3.27Å; L769-V772 WeakPolarHBondContact O-CG2 3.41Å; L769-V772 PolarHBondContact O-N 2.75Å; L770-V772 VanDerWaalsContact C-N 3.28Å; L770-V772 PolarHBondContact O-N 3.02Å; V772-D774 VanDerWaalsContact C-N 3.33Å; V772-D774 PolarHBondContact O-N 3.14Å; V772-Y775 HydrophobicContact CB-CD2 4.44Å; V772-Y775 PolarHBondContact O-N 3.31Å; V772-Y775 VanDerWaalsContact O-N 3.15Å; V772-I776 HydrophobicContact CG2-CD1 3.83Å; V772-I776 HydrophobicContact CG2-CG1 4.45Å; V772-I776 WeakPolarHBondContact O-CG1 3.3Å; V772-I776 PolarHBondContact O-N 3.48Å; V772-I806 HydrophobicContact CG1-CG2 4.16Å; V772-I806 HydrophobicContact CG2-CD1 3.43Å; V772-I806 VanDerWaalsContact CG2-CD1 3.43Å; V772-I806 HydrophobicContact CG2-CG1 4.22Å; V772-R813 HydrophobicContact CG1-CB 3.83Å; V772-R813 HydrophobicContact CG1-CG 4.27Å; V772-I818 HydrophobicContact CB-CG2 4.43Å; V772-I818 HydrophobicContact CG1-CG1 4.27Å
773	K	92.9	Very high	91.4	Very high	55 Å²	55	53 Å²	53	24%	0.239	26%	0.259	C	S	.	.	H	α-helix	trans	-52.1	-49.7	-176	-176.1	-164.3	172.5	-152.6	0	112	W743 L769 L770 Y775 I776 V777	W743-K773 HydrophobicContact CD2-CD 4.36Å; W743-K773 HydrophobicContact CD2-CG 3.88Å; W743-K773 HydrophobicContact CE3-CG 3.69Å; W743-K773 HydrophobicContact CG-CG 4.5Å; W743-K773 HydrophobicContact CH2-CG 4.36Å; W743-K773 HydrophobicContact CZ3-CB 4.42Å; W743-K773 HydrophobicContact CZ3-CG 3.95Å; L769-K773 PolarHBondContact O-N 3.18Å; L770-K773 HydrophobicContact CD2-CD 4.37Å; L770-K773 WeakPolarHBondContact O-CB 3.24Å; L770-K773 PolarHBondContact O-N 3.01Å; K773-Y775 VanDerWaalsContact C-N 3.31Å; K773-Y775 PolarHBondContact O-N 3.26Å; K773-I776 PolarHBondContact O-N 3.07Å; K773-V777 HydrophobicContact CG-CG2 4.43Å; K773-V777 WeakPolarHBondContact O-CG2 3.44Å; K773-V777 PolarHBondContact O-N 2.83Å
774	D	92.3	Very high	91.9	Very high	106 Å²	106	47 Å²	47	57%	0.567	23%	0.231	S	C	*	.	H	α-helix	trans	-66.4	-35.2	-175.5	-62.8	-22.9	0	0	0	111.6	V772 V777 Q778	V772-D774 VanDerWaalsContact C-N 3.33Å; V772-D774 PolarHBondContact O-N 3.14Å; D774-V777 PolarHBondContact O-N 3.05Å; D774-Q778 WeakPolarHBondContact O-CB 3.37Å; D774-Q778 VanDerWaalsContact O-CG 3.27Å; D774-Q778 WeakPolarHBondContact O-CG 3.38Å; D774-Q778 PolarHBondContact O-N 3.38Å
775	Y	94.5	Very high	92.2	Very high	82 Å²	82	53.1 Å²	53.1	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-39	173.7	-55.1	-39.9	0	0	0	112.2	V772 K773 G779 I819	V772-Y775 HydrophobicContact CB-CD2 4.44Å; V772-Y775 PolarHBondContact O-N 3.31Å; V772-Y775 VanDerWaalsContact O-N 3.15Å; K773-Y775 VanDerWaalsContact C-N 3.31Å; K773-Y775 PolarHBondContact O-N 3.26Å; Y775-G779 PolarHBondContact O-N 3.08Å; Y775-I819 HydrophobicContact CD1-CD1 4.45Å; Y775-I819 WeakPolarHBondContact O-CG1 3.43Å
776	I	95.2	Very high	92.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-43.6	174.5	-64.1	171.4	0	0	0	110.2	L695 M697 W743 L755 L769 V772 K773 G779 F780 I801 I818 A822	L695-I776 HydrophobicContact CD1-CD1 4.29Å; L695-I776 HydrophobicContact CD1-CG1 4.1Å; L695-I776 HydrophobicContact CD2-CD1 3.96Å; M697-I776 HydrophobicContact CE-CG2 3.89Å; W743-I776 HydrophobicContact CZ3-CB 4.39Å; W743-I776 HydrophobicContact CZ3-CD1 4.12Å; W743-I776 HydrophobicContact CZ3-CG2 4.28Å; L755-I776 HydrophobicContact CD2-CG2 4.13Å; L769-I776 HydrophobicContact CD1-CD1 4.16Å; V772-I776 HydrophobicContact CG2-CD1 3.83Å; V772-I776 HydrophobicContact CG2-CG1 4.45Å; V772-I776 WeakPolarHBondContact O-CG1 3.3Å; V772-I776 PolarHBondContact O-N 3.48Å; K773-I776 PolarHBondContact O-N 3.07Å; I776-G779 PolarHBondContact O-N 3.12Å; I776-F780 VanDerWaalsContact O-CB 3.24Å; I776-F780 WeakPolarHBondContact O-CB 3.47Å; I776-F780 PolarHBondContact O-N 2.95Å; I776-I801 HydrophobicContact CG2-CD1 4.08Å; I776-I818 HydrophobicContact CG1-CG2 3.75Å; I776-A822 HydrophobicContact CG2-CB 4.32Å
777	V	94.3	Very high	92.6	Very high	18 Å²	18	48.6 Å²	48.6	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-44.3	177.9	170.8	0	0	0	0	111.1	W743 A744 L755 K773 D774 F780 Q781	W743-V777 HydrophobicContact CB-CG2 4.47Å; A744-V777 HydrophobicContact CB-CB 4.38Å; A744-V777 HydrophobicContact CB-CG1 3.58Å; A744-V777 HydrophobicContact CB-CG2 3.9Å; L755-V777 HydrophobicContact CD2-CG2 4.16Å; K773-V777 HydrophobicContact CG-CG2 4.43Å; K773-V777 WeakPolarHBondContact O-CG2 3.44Å; K773-V777 PolarHBondContact O-N 2.83Å; D774-V777 PolarHBondContact O-N 3.05Å; V777-F780 PolarHBondContact O-N 2.98Å; V777-Q781 HydrophobicContact CG1-CG 4.35Å; V777-Q781 WeakPolarHBondContact O-CB 3.49Å; V777-Q781 WeakPolarHBondContact O-CG 3.46Å; V777-Q781 PolarHBondContact O-N 3.26Å
778	Q	93.1	Very high	92.8	Very high	98 Å²	98	43.1 Å²	43.1	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-61.8	-45.5	175.6	-73.9	174.7	23.1	0	0	111.9	D774 F780 Q781 W782 I819	D774-Q778 WeakPolarHBondContact O-CB 3.37Å; D774-Q778 VanDerWaalsContact O-CG 3.27Å; D774-Q778 WeakPolarHBondContact O-CG 3.38Å; D774-Q778 PolarHBondContact O-N 3.38Å; Q778-F780 VanDerWaalsContact C-N 3.34Å; Q778-F780 PolarHBondContact O-N 3.13Å; Q778-Q781 PolarHBondContact O-N 2.71Å; Q778-W782 VanDerWaalsContact O-CB 3.31Å; Q778-W782 WeakPolarHBondContact O-CB 3.49Å; Q778-W782 PolarHBondContact O-N 3.01Å; Q778-I819 HydrophobicContact CB-CD1 4.33Å; Q778-I819 HydrophobicContact CB-CG1 4.36Å
779	G	94	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-37.3	176.3	0	0	0	0	0	113.2	Y775 I776 G783	Y775-G779 PolarHBondContact O-N 3.08Å; I776-G779 PolarHBondContact O-N 3.12Å; G779-G783 PolarHBondContact O-N 2.94Å
780	F	95	Very high	92.9	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-47.8	175.3	165.9	-106.8	0	0	0	112.6	N753 L755 I776 V777 Q778 G783 T784 F799	N753-F780 HydrophobicContact CB-CZ 3.98Å; L755-F780 HydrophobicContact CB-CD1 3.79Å; L755-F780 HydrophobicContact CB-CD2 4.4Å; L755-F780 HydrophobicContact CB-CE1 3.68Å; L755-F780 HydrophobicContact CB-CE2 4.32Å; L755-F780 HydrophobicContact CB-CG 4.14Å; L755-F780 HydrophobicContact CB-CZ 3.96Å; L755-F780 HydrophobicContact CD1-CD2 4.24Å; L755-F780 HydrophobicContact CD1-CG 4.32Å; L755-F780 HydrophobicContact CD2-CB 4.07Å; L755-F780 HydrophobicContact CD2-CD1 4.05Å; L755-F780 HydrophobicContact CD2-CG 4.01Å; L755-F780 HydrophobicContact CG-CD1 4.42Å; L755-F780 HydrophobicContact CG-CG 4.39Å; I776-F780 VanDerWaalsContact O-CB 3.24Å; I776-F780 WeakPolarHBondContact O-CB 3.47Å; I776-F780 PolarHBondContact O-N 2.95Å; V777-F780 PolarHBondContact O-N 2.98Å; Q778-F780 VanDerWaalsContact C-N 3.34Å; Q778-F780 PolarHBondContact O-N 3.13Å; F780-G783 PolarHBondContact O-N 2.78Å; F780-T784 HydrophobicContact CD2-CG2 3.92Å; F780-T784 HydrophobicContact CE2-CG2 3.38Å; F780-T784 HydrophobicContact CZ-CG2 3.8Å; F780-T784 WeakPolarHBondContact O-CB 3.46Å; F780-T784 WeakPolarHBondContact O-CG2 3.48Å; F780-T784 PolarHBondContact O-N 2.69Å; F780-T784 PolarHBondContact O-OG1 2.74Å; F780-F799 HydrophobicContact CD2-CD2 4.24Å; F780-F799 HydrophobicContact CD2-CG 4.42Å; F780-F799 HydrophobicContact CE2-CB 4.19Å; F780-F799 AromaticContact CE2-CD2 3.35Å; F780-F799 HydrophobicContact CE2-CD2 3.35Å; F780-F799 AromaticContact CE2-CE2 3.82Å; F780-F799 HydrophobicContact CE2-CE2 3.82Å; F780-F799 AromaticContact CE2-CG 3.9Å; F780-F799 HydrophobicContact CE2-CG 3.9Å; F780-F799 HydrophobicContact CZ-CD2 4.15Å
781	Q	94.2	Very high	92.9	Very high	49 Å²	49	37.6 Å²	37.6	23%	0.229	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-42.1	178.3	-78.2	-179.3	-21.2	0	0	111.4	F745 P747 V777 Q778 T784 R785	F745-Q781 PolarHBondContact O-NE2 3.11Å; P747-Q781 VanDerWaalsContact O-CB 3.3Å; P747-Q781 WeakPolarHBondContact O-CB 3.33Å; P747-Q781 WeakPolarHBondContact O-CG 3.47Å; V777-Q781 HydrophobicContact CG1-CG 4.35Å; V777-Q781 WeakPolarHBondContact O-CB 3.49Å; V777-Q781 WeakPolarHBondContact O-CG 3.46Å; V777-Q781 PolarHBondContact O-N 3.26Å; Q778-Q781 PolarHBondContact O-N 2.71Å; Q781-T784 WeakPolarHBondContact CA-OG1 3.45Å; Q781-T784 PolarHBondContact O-OG1 2.63Å; Q781-R785 WeakPolarHBondContact O-CB 3.43Å; Q781-R785 PolarHBondContact O-N 2.76Å; Q781-R785 VanDerWaalsContact O-N 3.13Å
782	W	93.6	Very high	92.9	Very high	101 Å²	101	34.7 Å²	34.7	38%	0.383	15%	0.154	S	C	.	.	H	α-helix	trans	-63.1	-48.9	173.2	-177.3	17	0	0	0	111.7	Q778 T784 R785 E786 I819 R823	Q778-W782 VanDerWaalsContact O-CB 3.31Å; Q778-W782 WeakPolarHBondContact O-CB 3.49Å; Q778-W782 PolarHBondContact O-N 3.01Å; W782-T784 PolarHBondContact O-N 2.71Å; W782-R785 WeakPolarHBondContact O-CB 3.32Å; W782-R785 PolarHBondContact O-N 2.68Å; W782-R785 VanDerWaalsContact O-N 3.12Å; W782-E786 PolarHBondContact NE1-OE1 2.83Å; W782-E786 PolarHBondContact O-N 3.03Å; W782-I819 HydrophobicContact CE3-CG2 3.85Å; W782-I819 HydrophobicContact CZ3-CG2 4.1Å; W782-R823 VanDerWaalsContact CE2-NH1 3.26Å
783	G	92.9	Very high	92.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-44.5	177.9	0	0	0	0	0	112.9	G779 F780 R785 E786 G787 Y827	G779-G783 PolarHBondContact O-N 2.94Å; F780-G783 PolarHBondContact O-N 2.78Å; G783-R785 VanDerWaalsContact C-N 3.27Å; G783-R785 PolarHBondContact O-N 2.95Å; G783-E786 PolarHBondContact O-N 3.35Å; G783-G787 PolarHBondContact O-N 3.17Å; G783-Y827 VanDerWaalsContact O-CE1 3.22Å; G783-Y827 WeakPolarHBondContact O-CE1 3.37Å; G783-Y827 PolarHBondContact O-OH 3.16Å
784	T	95.2	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-72	-16.6	178.6	48.9	0	0	0	0	114.2	P747 N753 F780 Q781 W782 P793 I794 F799	P747-T784 WeakPolarHBondContact CA-OG1 3.43Å; N753-T784 HydrophobicContact CB-CG2 4.39Å; F780-T784 HydrophobicContact CD2-CG2 3.92Å; F780-T784 HydrophobicContact CE2-CG2 3.38Å; F780-T784 HydrophobicContact CZ-CG2 3.8Å; F780-T784 WeakPolarHBondContact O-CB 3.46Å; F780-T784 WeakPolarHBondContact O-CG2 3.48Å; F780-T784 PolarHBondContact O-N 2.69Å; F780-T784 PolarHBondContact O-OG1 2.74Å; Q781-T784 WeakPolarHBondContact CA-OG1 3.45Å; Q781-T784 PolarHBondContact O-OG1 2.63Å; W782-T784 PolarHBondContact O-N 2.71Å; T784-P793 WeakPolarHBondContact O-CA 3.33Å; T784-I794 HydrophobicContact CG2-CB 4.25Å; T784-I794 HydrophobicContact CG2-CD1 4.23Å; T784-I794 PolarHBondContact O-N 3.19Å; T784-F799 HydrophobicContact CG2-CE2 3.98Å
785	R	92.9	Very high	93.2	Very high	135 Å²	135	29.2 Å²	29.2	51%	0.509	13%	0.128	S	C	.	.	H	α-helix	trans	-78.1	-37.8	176.3	-173.7	178.3	-67.5	166.7	-1.6	112.4	P747 D748 Q781 W782 G783	P747-R785 HydrophobicContact CB-CB 3.71Å; P747-R785 HydrophobicContact CB-CG 4.32Å; D748-R785 IonicContact OD1-CZ 3.72Å; D748-R785 IonicContact OD1-NE 3.66Å; D748-R785 IonicContact OD1-NH2 2.63Å; D748-R785 PolarHBondContact OD1-NH2 2.89Å; Q781-R785 WeakPolarHBondContact O-CB 3.43Å; Q781-R785 PolarHBondContact O-N 2.76Å; Q781-R785 VanDerWaalsContact O-N 3.13Å; W782-R785 WeakPolarHBondContact O-CB 3.32Å; W782-R785 PolarHBondContact O-N 2.68Å; W782-R785 VanDerWaalsContact O-N 3.12Å; G783-R785 VanDerWaalsContact C-N 3.27Å; G783-R785 PolarHBondContact O-N 2.95Å
786	E	89.9	Confident	93.2	Very high	44 Å²	44	27.5 Å²	27.5	21%	0.206	13%	0.125	C	C	.	.	H	α-helix	trans	-93	-44.1	178.7	-73.5	166.3	-155.5	0	0	111	W782 G783 D791 E792 R823	W782-E786 PolarHBondContact NE1-OE1 2.83Å; W782-E786 PolarHBondContact O-N 3.03Å; G783-E786 PolarHBondContact O-N 3.35Å; E786-D791 CarbonylContact O-C 3.56Å; E786-D791 WeakPolarHBondContact O-CA 3.46Å; E786-E792 CarbonylContact C-O 3.59Å; E786-E792 CarbonylContact O-C 3.58Å; E786-E792 VanDerWaalsContact O-C 3.23Å; E786-E792 WeakPolarHBondContact O-CA 3.48Å; E786-E792 PolarHBondContact O-N 3.32Å; E786-R823 IonicContact OE2-CZ 2.79Å; E786-R823 IonicContact OE2-NH1 3.5Å; E786-R823 PolarHBondContact OE2-NH1 2.82Å; E786-R823 IonicContact OE2-NH2 2.99Å; E786-R823 PolarHBondContact OE2-NH2 3.34Å
787	G	91.7	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.125	C	C	.	.			trans	69.5	153.2	-176	0	0	0	0	0	113.7	G783	G783-G787 PolarHBondContact O-N 3.17Å
788	P	92.4	Very high	93.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.032	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-18.5	-174.5	32.1	-36.4	0	0	0	116	E674 Y827 F830 L831 F962	E674-P788 WeakPolarHBondContact OE2-CD 3.35Å; E674-P788 VanDerWaalsContact OE2-N 3.17Å; P788-Y827 HydrophobicContact CB-CD1 3.85Å; P788-Y827 HydrophobicContact CB-CE1 4.34Å; P788-Y827 HydrophobicContact CB-CG 3.95Å; P788-Y827 HydrophobicContact CG-CD1 3.96Å; P788-Y827 HydrophobicContact CG-CG 4.43Å; P788-F830 HydrophobicContact CG-CB 4.4Å; P788-F830 HydrophobicContact CG-CD1 3.33Å; P788-F830 HydrophobicContact CG-CE1 3.87Å; P788-F830 HydrophobicContact CG-CG 4.11Å; P788-L831 HydrophobicContact CB-CD1 4.32Å; P788-L831 HydrophobicContact CB-CD2 4.2Å; P788-L831 HydrophobicContact CB-CG 4.2Å; P788-L831 HydrophobicContact CG-CD2 4.12Å; P788-L831 HydrophobicContact CG-CG 4.15Å; P788-F962 HydrophobicContact CB-CE2 4.35Å
789	L	92.1	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-48.4	-174.4	-61.7	177.5	0	0	0	112.9	E674 F830 L831 P835 L837 P921 L922 R948 V957	E674-L789 HydrophobicContact CB-CD1 4.4Å; E674-L789 VanDerWaalsContact CD-CB 3.49Å; E674-L789 HydrophobicContact CG-CB 4.26Å; E674-L789 HydrophobicContact CG-CD1 4.25Å; E674-L789 HydrophobicContact CG-CG 4.49Å; E674-L789 WeakPolarHBondContact OE1-CB 3.36Å; E674-L789 PolarHBondContact OE1-N 2.97Å; E674-L789 VanDerWaalsContact OE1-N 3.13Å; E674-L789 WeakPolarHBondContact OE2-CB 3.03Å; E674-L789 PolarHBondContact OE2-N 3.32Å; L789-F830 HydrophobicContact CD1-CE1 4.33Å; L789-F830 HydrophobicContact CG-CE1 4.15Å; L789-L831 HydrophobicContact CD2-CD2 4.05Å; L789-P835 HydrophobicContact CD1-CB 4.14Å; L789-P835 HydrophobicContact CD2-CB 4.23Å; L789-P835 HydrophobicContact CD2-CG 4.19Å; L789-P835 HydrophobicContact CG-CB 4.45Å; L789-L837 HydrophobicContact CB-CD2 4.48Å; L789-L837 HydrophobicContact CD1-CD2 3.85Å; L789-L837 HydrophobicContact CD1-CG 4.32Å; L789-P921 HydrophobicContact CD1-CG 4.19Å; L789-L922 HydrophobicContact CD2-CD2 3.92Å; L789-L922 HydrophobicContact CD2-CG 4.47Å; L789-R948 WeakPolarHBondContact O-CD 3.49Å; L789-R948 WeakPolarHBondContact O-CG 3.3Å; L789-R948 PolarHBondContact O-NH1 2.84Å; L789-V957 HydrophobicContact CD2-CG2 4.31Å
790	C	89.9	Confident	93.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	13.7	-168.2	-66.5	0	0	0	0	112.7	E674 E792 M944 T947 K951	E674-C790 PolarHBondContact OE1-N 2.89Å; C790-E792 HydrophobicContact CB-CG 4.49Å; C790-E792 PolarHBondContact O-N 2.97Å; C790-M944 WeakPolarHBondContact SG-CG 3.32Å; C790-T947 HydrophobicContact CB-CG2 3.95Å; C790-K951 WeakPolarHBondContact O-CD 3.29Å; C790-K951 VanDerWaalsContact O-CE 3.29Å; C790-K951 WeakPolarHBondContact O-CE 3.42Å; C790-K951 PolarHBondContact O-NZ 3.32Å
791	D	91.2	Very high	93.4	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	11%	0.108	C	C	.	.	S	Bend	trans	52.8	34.7	-168.9	-70	-16.9	0	0	0	113.1	E786 K951 L953	E786-D791 CarbonylContact O-C 3.56Å; E786-D791 WeakPolarHBondContact O-CA 3.46Å; D791-K951 HydrophobicContact CB-CD 3.95Å; D791-K951 PolarHBondContact O-NZ 3.42Å; D791-L953 HydrophobicContact CB-CD1 4.24Å; D791-L953 WeakPolarHBondContact OD2-CD1 3.34Å
792	E	91.1	Very high	93.3	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	11%	0.105	C	C	.	.			trans	-112.2	154.1	170.3	-74.2	-55.5	156.1	0	0	112.3	R640 F672 E786 C790 I794 K951	R640-E792 IonicContact CZ-OE2 3.07Å; R640-E792 IonicContact NH2-OE1 3.19Å; R640-E792 IonicContact NH2-OE2 2.61Å; R640-E792 PolarHBondContact NH2-OE2 2.82Å; F672-E792 HydrophobicContact CB-CG 4.46Å; F672-E792 WeakPolarHBondContact O-CB 3.35Å; E786-E792 CarbonylContact C-O 3.59Å; E786-E792 CarbonylContact O-C 3.58Å; E786-E792 VanDerWaalsContact O-C 3.23Å; E786-E792 WeakPolarHBondContact O-CA 3.48Å; E786-E792 PolarHBondContact O-N 3.32Å; C790-E792 HydrophobicContact CB-CG 4.49Å; C790-E792 PolarHBondContact O-N 2.97Å; E792-I794 PolarHBondContact O-N 3.11Å; E792-K951 VanDerWaalsContact CD-NZ 3.27Å; E792-K951 WeakPolarHBondContact OE1-CE 3.22Å; E792-K951 IonicContact OE1-NZ 3.54Å; E792-K951 PolarHBondContact OE1-NZ 3.03Å
793	P	93.4	Very high	93.2	Very high	32 Å²	32	21 Å²	21	21%	0.208	10%	0.099	C	C	.	.			trans	-60.9	140.1	-170.9	24.4	-34.8	0	0	0	113.4	C673 E674 T784	C673-P793 CarbonylContact C-O 3.49Å; C673-P793 VanDerWaalsContact CA-O 3.27Å; C673-P793 WeakPolarHBondContact CA-O 3.48Å; C673-P793 WeakPolarHBondContact CB-O 3.5Å; E674-P793 PolarHBondContact N-O 3.07Å; T784-P793 WeakPolarHBondContact O-CA 3.33Å
794	I	95.7	Very high	93.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-73.2	142.6	170.7	-58.2	-177.8	0	0	0	108.5	E674 N753 T784 E792 V797 F799 F830	E674-I794 HydrophobicContact CB-CG1 4.42Å; E674-I794 CarbonylContact O-C 3.57Å; E674-I794 WeakPolarHBondContact O-CA 3.41Å; N753-I794 PolarHBondContact ND2-O 2.8Å; T784-I794 HydrophobicContact CG2-CB 4.25Å; T784-I794 HydrophobicContact CG2-CD1 4.23Å; T784-I794 PolarHBondContact O-N 3.19Å; E792-I794 PolarHBondContact O-N 3.11Å; I794-V797 HydrophobicContact CG2-CB 3.87Å; I794-V797 HydrophobicContact CG2-CG2 3.38Å; I794-F799 HydrophobicContact CD1-CZ 4.24Å; I794-F799 HydrophobicContact CG2-CE2 4.45Å; I794-F830 HydrophobicContact CD1-CD2 3.97Å; I794-F830 HydrophobicContact CD1-CE2 4.32Å; I794-F830 HydrophobicContact CD1-CG 4.29Å; I794-F830 HydrophobicContact CG1-CE2 4.37Å; I794-F830 HydrophobicContact CG2-CD2 4.05Å; I794-F830 HydrophobicContact CG2-CE2 3.79Å
795	R	94.3	Very high	92.9	Very high	13 Å²	13	26 Å²	26	5%	0.049	13%	0.126	C	C	.	.			trans	-143.4	150.4	176	165.2	-173.3	-161.7	91.2	5.3	110.3	C673 E674 T675 E711 P752 N753 V797 M838 W914	C673-R795 HydrophobicContact CB-CB 4.15Å; E674-R795 PolarHBondContact O-N 3.12Å; E674-R795 VanDerWaalsContact O-O 3.12Å; T675-R795 WeakPolarHBondContact CA-O 3.49Å; T675-R795 WeakPolarHBondContact CB-O 3.45Å; T675-R795 PolarHBondContact OG1-O 2.96Å; E711-R795 IonicContact OE1-CZ 3.51Å; E711-R795 IonicContact OE1-NH1 2.71Å; E711-R795 PolarHBondContact OE1-NH1 3.15Å; E711-R795 IonicContact OE1-NH2 2.63Å; E711-R795 IonicContact OE2-CZ 2.64Å; E711-R795 VanDerWaalsContact OE2-CZ 3.27Å; E711-R795 IonicContact OE2-NH1 2.82Å; E711-R795 PolarHBondContact OE2-NH1 3.38Å; E711-R795 IonicContact OE2-NH2 3.72Å; E711-R795 PolarHBondContact OE2-NH2 3.29Å; P752-R795 HydrophobicContact CB-CB 4.41Å; P752-R795 HydrophobicContact CB-CG 3.91Å; P752-R795 HydrophobicContact CG-CB 3.75Å; P752-R795 HydrophobicContact CG-CG 3.72Å; N753-R795 VanDerWaalsContact OD1-CA 3.27Å; N753-R795 WeakPolarHBondContact OD1-CA 3.43Å; N753-R795 PolarHBondContact OD1-N 2.85Å; R795-V797 VanDerWaalsContact C-N 3.35Å; R795-V797 WeakPolarHBondContact O-CG2 3.18Å; R795-M838 HydrophobicContact CB-CE 3.37Å; R795-M838 VanDerWaalsContact CD-CE 3.46Å; R795-M838 HydrophobicContact CG-CE 3.46Å; R795-M838 VanDerWaalsContact CG-CE 3.46Å; R795-M838 HydrophobicContact CG-SD 4.49Å; R795-W914 VanDerWaalsContact NE-CD1 3.3Å
796	N	95.1	Very high	92.8	Very high	47 Å²	47	20.6 Å²	20.6	25%	0.251	11%	0.107	S	C	.	.	S	Bend	trans	65.6	30.7	177.2	-70.1	-10.9	0	0	0	114	L702 A707 P752 N753	L702-N796 PolarHBondContact N-O 3.09Å; A707-N796 WeakPolarHBondContact CB-OD1 3.12Å; P752-N796 PolarHBondContact O-N 3.33Å; N753-N796 PolarHBondContact OD1-N 2.89Å
797	V	95.8	Very high	92.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.8	-178.5	-168.4	0	0	0	0	112.8	V676 A699 N753 I754 I794 R795 F799 F830	V676-V797 HydrophobicContact CG1-CG1 4.27Å; V676-V797 HydrophobicContact CG1-CG2 4.15Å; V676-V797 HydrophobicContact CG2-CB 4.41Å; V676-V797 HydrophobicContact CG2-CG1 3.91Å; V676-V797 HydrophobicContact CG2-CG2 3.95Å; A699-V797 HydrophobicContact CB-CG1 3.96Å; N753-V797 VanDerWaalsContact CA-O 3.29Å; N753-V797 WeakPolarHBondContact CA-O 3.33Å; N753-V797 WeakPolarHBondContact CB-O 3.33Å; N753-V797 PolarHBondContact OD1-N 3.43Å; N753-V797 VanDerWaalsContact OD1-N 3.16Å; I754-V797 PolarHBondContact N-O 3.26Å; I794-V797 HydrophobicContact CG2-CB 3.87Å; I794-V797 HydrophobicContact CG2-CG2 3.38Å; R795-V797 VanDerWaalsContact C-N 3.35Å; R795-V797 WeakPolarHBondContact O-CG2 3.18Å; V797-F799 HydrophobicContact CB-CD2 4.29Å; V797-F799 HydrophobicContact CB-CE2 3.7Å; V797-F799 HydrophobicContact CB-CZ 4.25Å; V797-F799 HydrophobicContact CG1-CD2 3.85Å; V797-F799 HydrophobicContact CG1-CE1 4.25Å; V797-F799 HydrophobicContact CG1-CE2 3.41Å; V797-F799 VanDerWaalsContact CG1-CE2 3.41Å; V797-F799 HydrophobicContact CG1-CZ 3.64Å; V797-F830 HydrophobicContact CG1-CD2 4.47Å; V797-F830 HydrophobicContact CG2-CD2 4.13Å; V797-F830 HydrophobicContact CG2-CE2 3.87Å
798	K	95	Very high	92.6	Very high	22 Å²	22	22.2 Å²	22.2	10%	0.096	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	114.9	174.3	-173.4	-178.2	-176.8	172.5	0	108.9	A699 E700 L702 W734 M756 K800	A699-K798 CarbonylContact C-O 3.58Å; A699-K798 WeakPolarHBondContact CA-O 3.35Å; E700-K798 HydrophobicContact CB-CB 4.23Å; E700-K798 HydrophobicContact CB-CD 4.5Å; E700-K798 PolarHBondContact N-O 2.85Å; E700-K798 WeakPolarHBondContact O-CB 3.48Å; E700-K798 PolarHBondContact O-N 3.38Å; L702-K798 HydrophobicContact CD2-CB 3.69Å; L702-K798 HydrophobicContact CD2-CD 4.49Å; L702-K798 HydrophobicContact CD2-CG 4.26Å; L702-K798 HydrophobicContact CG-CB 4.21Å; W734-K798 HydrophobicContact CH2-CD 4.29Å; W734-K798 HydrophobicContact CZ2-CD 4.39Å; M756-K798 HydrophobicContact CE-CD 4.27Å; M756-K798 HydrophobicContact CE-CG 4.43Å; M756-K798 WeakPolarHBondContact SD-CE 3.1Å; M756-K798 HydrophobicContact SD-CG 4.47Å; K798-K800 VanDerWaalsContact CE-CE 3.44Å
799	F	95.7	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.4	175.5	-68	-91.5	0	0	0	109.6	I698 A699 I754 L755 M756 F780 T784 I794 V797 A826 F830	I698-F799 WeakPolarHBondContact O-CA 3.42Å; A699-F799 HydrophobicContact CB-CD1 4.16Å; A699-F799 HydrophobicContact CB-CE1 3.99Å; I754-F799 PolarHBondContact O-N 3.23Å; L755-F799 HydrophobicContact CD1-CB 3.99Å; M756-F799 PolarHBondContact N-O 2.93Å; F780-F799 HydrophobicContact CD2-CD2 4.24Å; F780-F799 HydrophobicContact CD2-CG 4.42Å; F780-F799 HydrophobicContact CE2-CB 4.19Å; F780-F799 AromaticContact CE2-CD2 3.35Å; F780-F799 HydrophobicContact CE2-CD2 3.35Å; F780-F799 AromaticContact CE2-CE2 3.82Å; F780-F799 HydrophobicContact CE2-CE2 3.82Å; F780-F799 AromaticContact CE2-CG 3.9Å; F780-F799 HydrophobicContact CE2-CG 3.9Å; F780-F799 HydrophobicContact CZ-CD2 4.15Å; T784-F799 HydrophobicContact CG2-CE2 3.98Å; I794-F799 HydrophobicContact CD1-CZ 4.24Å; I794-F799 HydrophobicContact CG2-CE2 4.45Å; V797-F799 HydrophobicContact CB-CD2 4.29Å; V797-F799 HydrophobicContact CB-CE2 3.7Å; V797-F799 HydrophobicContact CB-CZ 4.25Å; V797-F799 HydrophobicContact CG1-CD2 3.85Å; V797-F799 HydrophobicContact CG1-CE1 4.25Å; V797-F799 HydrophobicContact CG1-CE2 3.41Å; V797-F799 VanDerWaalsContact CG1-CE2 3.41Å; V797-F799 HydrophobicContact CG1-CZ 3.64Å; F799-A826 HydrophobicContact CD1-CB 4.31Å; F799-A826 HydrophobicContact CE1-CB 4.05Å; F799-A826 WeakPolarHBondContact CE1-O 3.48Å; F799-F830 HydrophobicContact CE1-CB 4.34Å; F799-F830 HydrophobicContact CZ-CB 4.39Å; F799-F830 HydrophobicContact CZ-CD2 4.36Å
800	K	94.6	Very high	92	Very high	29 Å²	29	29.8 Å²	29.8	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.7	176.8	-62.6	178.5	177.6	170.5	0	110.2	M697 I698 E700 M756 D758 K798	M697-K800 CarbonylContact C-O 3.56Å; M697-K800 WeakPolarHBondContact CA-O 3.47Å; I698-K800 HydrophobicContact CD1-CB 4.31Å; I698-K800 HydrophobicContact CD1-CD 4.05Å; I698-K800 HydrophobicContact CG1-CB 3.75Å; I698-K800 HydrophobicContact CG1-CD 4.33Å; I698-K800 HydrophobicContact CG1-CG 4.46Å; I698-K800 PolarHBondContact N-O 3.47Å; I698-K800 PolarHBondContact O-N 2.68Å; E700-K800 VanDerWaalsContact CD-CE 3.49Å; E700-K800 WeakPolarHBondContact OE1-CE 2.89Å; E700-K800 IonicContact OE1-NZ 3.38Å; E700-K800 PolarHBondContact OE1-NZ 3.33Å; E700-K800 WeakPolarHBondContact OE2-CE 3.45Å; E700-K800 IonicContact OE2-NZ 3.85Å; E700-K800 PolarHBondContact OE2-NZ 3.01Å; M756-K800 HydrophobicContact CE-CD 4.17Å; M756-K800 HydrophobicContact CE-CG 3.84Å; M756-K800 WeakPolarHBondContact O-CA 3.41Å; D758-K800 HydrophobicContact CB-CB 4.25Å; D758-K800 HydrophobicContact CB-CD 4.48Å; K798-K800 VanDerWaalsContact CE-CE 3.44Å
801	I	94.2	Very high	91.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.9	169.5	-54.5	172.4	0	0	0	107.3	M697 W743 L755 M756 D758 T759 I776	M697-I801 HydrophobicContact CE-CD1 4.23Å; M697-I801 HydrophobicContact CE-CG1 3.93Å; M697-I801 HydrophobicContact CG-CG1 4.15Å; M697-I801 HydrophobicContact SD-CG1 4.4Å; W743-I801 HydrophobicContact CE3-CD1 3.99Å; W743-I801 HydrophobicContact CH2-CD1 3.85Å; W743-I801 HydrophobicContact CZ3-CD1 3.45Å; W743-I801 VanDerWaalsContact CZ3-CD1 3.45Å; L755-I801 HydrophobicContact CD1-CD1 4.19Å; L755-I801 HydrophobicContact CD1-CG1 4.14Å; M756-I801 PolarHBondContact O-N 3.13Å; D758-I801 CarbonylContact C-O 3.23Å; D758-I801 VanDerWaalsContact C-O 3.3Å; D758-I801 WeakPolarHBondContact CA-O 3.49Å; D758-I801 PolarHBondContact N-O 3.47Å; T759-I801 HydrophobicContact CG2-CB 4.33Å; T759-I801 HydrophobicContact CG2-CG2 3.75Å; T759-I801 WeakPolarHBondContact CG2-O 3.21Å; T759-I801 PolarHBondContact N-O 3.34Å; I776-I801 HydrophobicContact CG2-CD1 4.08Å
802	L	92.1	Very high	91.7	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-34.4	-179.1	-65.2	-177.3	0	0	0	112.8	K683 T696 I698 D758	K683-L802 HydrophobicContact CD-CD1 3.66Å; K683-L802 HydrophobicContact CG-CD1 3.76Å; T696-L802 PolarHBondContact O-N 2.96Å; I698-L802 HydrophobicContact CB-CD1 4.36Å; I698-L802 HydrophobicContact CD1-CD1 4.03Å; I698-L802 HydrophobicContact CD1-CD2 4.17Å; I698-L802 HydrophobicContact CD1-CG 4.33Å; I698-L802 HydrophobicContact CG1-CD1 3.99Å; I698-L802 HydrophobicContact CG1-CD2 4.31Å; I698-L802 HydrophobicContact CG1-CG 4.07Å; I698-L802 HydrophobicContact CG2-CD1 3.53Å; I698-L802 HydrophobicContact CG2-CG 4.35Å; D758-L802 HydrophobicContact CB-CD2 4.26Å
803	D	91.6	Very high	91.5	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.2	179.6	-174.4	19.3	0	0	0	110.2	T696 V764	T696-D803 PolarHBondContact N-O 2.99Å; V764-D803 WeakPolarHBondContact CG2-OD1 3.34Å
804	A	91.6	Very high	91.2	Very high	6 Å²	6	38.6 Å²	38.6	5%	0.05	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	108.2	178	0	0	0	0	0	110.9	K694 L695 V764 L769 I806	K694-A804 CarbonylContact O-C 3.55Å; K694-A804 WeakPolarHBondContact O-CA 3.45Å; L695-A804 HydrophobicContact CD2-CB 3.92Å; V764-A804 HydrophobicContact CG1-CB 4.2Å; L769-A804 HydrophobicContact CD1-CB 3.72Å; A804-I806 HydrophobicContact CB-CD1 4.15Å; A804-I806 HydrophobicContact CB-CG1 4.38Å
805	L	91.6	Very high	91	Very high	99 Å²	99	41.3 Å²	41.3	52%	0.518	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.4	168	-58.7	174	0	0	0	107.9	N693 K694	N693-L805 CarbonylContact C-O 3.56Å; N693-L805 WeakPolarHBondContact CA-O 3.15Å; K694-L805 HydrophobicContact CB-CB 4.05Å; K694-L805 HydrophobicContact CB-CD1 4.22Å; K694-L805 HydrophobicContact CB-CG 4.42Å; K694-L805 HydrophobicContact CD-CD1 4.14Å; K694-L805 PolarHBondContact N-O 2.91Å; K694-L805 PolarHBondContact O-N 2.98Å
806	I	90.5	Very high	90.8	Very high	22 Å²	22	43.2 Å²	43.2	11%	0.113	26%	0.263	C	S	.	.			trans	-123.2	134	-177.9	-62.5	160	0	0	0	108.6	L769 V772 A804	L769-I806 VanDerWaalsContact CA-CD1 3.5Å; L769-I806 HydrophobicContact CB-CD1 4.1Å; L769-I806 HydrophobicContact CD1-CD1 3.65Å; V772-I806 HydrophobicContact CG1-CG2 4.16Å; V772-I806 HydrophobicContact CG2-CD1 3.43Å; V772-I806 VanDerWaalsContact CG2-CD1 3.43Å; V772-I806 HydrophobicContact CG2-CG1 4.22Å; A804-I806 HydrophobicContact CB-CD1 4.15Å; A804-I806 HydrophobicContact CB-CG1 4.38Å
807	S	89.3	Confident	90.7	Very high	20 Å²	20	43.7 Å²	43.7	14%	0.14	26%	0.264	C	S	.	.			trans	-66.7	142.7	176.4	-176.4	0	0	0	0	111.9	N693 E809 Q812	N693-S807 PolarHBondContact OD1-N 2.98Å; S807-E809 PolarHBondContact O-N 3.16Å; S807-E809 PolarHBondContact OG-N 3.37Å; S807-Q812 VanDerWaalsContact CB-OE1 3.3Å; S807-Q812 PolarHBondContact OG-OE1 2.95Å
808	G	86.7	Confident	90.6	Very high	59 Å²	59	43.7 Å²	43.7	61%	0.608	26%	0.264	S	S	*	.	S	Bend	trans	-68.9	-20.3	174.6	0	0	0	0	0	113.8
809	E	87.5	Confident	90.5	Very high	100 Å²	100	43.9 Å²	43.9	47%	0.467	27%	0.266	S	S	.	.	S	Bend	trans	-87.2	122.9	-178.1	-71	178.3	-175.8	0	0	112	S807 H811 Q812	S807-E809 PolarHBondContact O-N 3.16Å; S807-E809 PolarHBondContact OG-N 3.37Å; E809-H811 VanDerWaalsContact C-N 3.29Å; E809-H811 PolarHBondContact O-N 3.41Å; E809-H811 IonicContact OE2-CE1 3.29Å; E809-H811 PolarHBondContact OE2-CE1 3.18Å; E809-H811 IonicContact OE2-NE2 3.06Å; E809-H811 PolarHBondContact OE2-NE2 2.98Å; E809-Q812 HydrophobicContact CB-CG 3.93Å; E809-Q812 PolarHBondContact O-N 3.2Å; E809-Q812 PolarHBondContact OE2-NE2 3.47Å
810	A	85.1	Confident	90.5	Very high	64 Å²	64	46.3 Å²	46.3	53%	0.529	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.1	-33.2	-173.7	0	0	0	0	0	114.3	Q812 R813	A810-Q812 VanDerWaalsContact C-N 3.27Å; A810-Q812 PolarHBondContact O-N 2.97Å; A810-R813 WeakPolarHBondContact O-CG 3.26Å; A810-R813 PolarHBondContact O-N 3.13Å
811	H	86.5	Confident	90.4	Very high	145 Å²	145	44.9 Å²	44.9	67%	0.671	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-71.1	-22.7	178.8	66.3	69.7	0	0	0	112.9	E809 R813	E809-H811 VanDerWaalsContact C-N 3.29Å; E809-H811 PolarHBondContact O-N 3.41Å; E809-H811 IonicContact OE2-CE1 3.29Å; E809-H811 PolarHBondContact OE2-CE1 3.18Å; E809-H811 IonicContact OE2-NE2 3.06Å; E809-H811 PolarHBondContact OE2-NE2 2.98Å; H811-R813 VanDerWaalsContact C-N 3.31Å
812	Q	88.1	Confident	90.4	Very high	29 Å²	29	44.9 Å²	44.9	14%	0.136	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-81.9	-12.8	179.9	-56.8	-171.6	-0.3	0	0	112.5	N690 K692 N693 S807 E809 A810	N690-Q812 PolarHBondContact ND2-O 2.62Å; K692-Q812 HydrophobicContact CB-CB 4.4Å; N693-Q812 PolarHBondContact ND2-O 3.16Å; S807-Q812 VanDerWaalsContact CB-OE1 3.3Å; S807-Q812 PolarHBondContact OG-OE1 2.95Å; E809-Q812 HydrophobicContact CB-CG 3.93Å; E809-Q812 PolarHBondContact O-N 3.2Å; E809-Q812 PolarHBondContact OE2-NE2 3.47Å; A810-Q812 VanDerWaalsContact C-N 3.27Å; A810-Q812 PolarHBondContact O-N 2.97Å
813	R	87.2	Confident	90.5	Very high	50 Å²	50	45.9 Å²	45.9	19%	0.189	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-112	24.6	-178.9	64	174.6	-171.6	-156.7	-2.5	113.3	T771 V772 A810 H811 I818	T771-R813 PolarHBondContact OG1-NH1 3.42Å; V772-R813 HydrophobicContact CG1-CB 3.83Å; V772-R813 HydrophobicContact CG1-CG 4.27Å; A810-R813 WeakPolarHBondContact O-CG 3.26Å; A810-R813 PolarHBondContact O-N 3.13Å; H811-R813 VanDerWaalsContact C-N 3.31Å; R813-I818 HydrophobicContact CB-CG1 4.46Å
814	G	88.1	Confident	90.5	Very high	26 Å²	26	46.4 Å²	46.4	27%	0.268	28%	0.276	S	S	.	.			trans	-59.1	157.9	178.7	0	0	0	0	0	113.1	G816 Q817 I818	G814-G816 VanDerWaalsContact C-N 3.31Å; G814-G816 PolarHBondContact O-N 3.39Å; G814-Q817 WeakPolarHBondContact O-CB 3.42Å; G814-Q817 PolarHBondContact O-N 3.25Å; G814-I818 PolarHBondContact O-N 3.39Å; G814-I818 VanDerWaalsContact O-N 3.15Å
815	S	90.5	Very high	90.6	Very high	58 Å²	58	46.1 Å²	46.1	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-51.6	-47.2	-179.5	53.8	0	0	0	0	112.6	Q817 I818 I819	S815-Q817 PolarHBondContact O-N 3.24Å; S815-Q817 VanDerWaalsContact O-N 3.14Å; S815-I818 PolarHBondContact O-N 2.97Å; S815-I819 VanDerWaalsContact O-CB 3.29Å; S815-I819 WeakPolarHBondContact O-CB 3.39Å; S815-I819 VanDerWaalsContact O-CG1 3.23Å; S815-I819 WeakPolarHBondContact O-CG1 3.2Å; S815-I819 PolarHBondContact O-N 3.07Å
816	G	90.8	Very high	90.7	Very high	53 Å²	53	41.5 Å²	41.5	55%	0.546	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-14.6	178.7	0	0	0	0	0	115.4	G814 P820	G814-G816 VanDerWaalsContact C-N 3.31Å; G814-G816 PolarHBondContact O-N 3.39Å; G816-P820 WeakPolarHBondContact O-CD 3.13Å; G816-P820 WeakPolarHBondContact O-CG 3.37Å
817	Q	91.7	Very high	90.8	Very high	57 Å²	57	40.6 Å²	40.6	27%	0.266	24%	0.244	S	C	.	.	H	α-helix	trans	-92.2	-49	173.9	-61.7	-66.7	-47.5	0	0	110.9	T688 G814 S815 T821	T688-Q817 HydrophobicContact CG2-CB 4.14Å; T688-Q817 WeakPolarHBondContact CG2-O 3.44Å; G814-Q817 WeakPolarHBondContact O-CB 3.42Å; G814-Q817 PolarHBondContact O-N 3.25Å; S815-Q817 PolarHBondContact O-N 3.24Å; S815-Q817 VanDerWaalsContact O-N 3.14Å; Q817-T821 PolarHBondContact O-OG1 3.3Å
818	I	93.8	Very high	90.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-77.7	-41	-172.3	-60	-65.6	0	0	0	112.1	T688 N693 V772 I776 R813 G814 S815 T821 A822	T688-I818 HydrophobicContact CG2-CD1 4.04Å; N693-I818 HydrophobicContact CB-CD1 3.87Å; V772-I818 HydrophobicContact CB-CG2 4.43Å; V772-I818 HydrophobicContact CG1-CG1 4.27Å; I776-I818 HydrophobicContact CG1-CG2 3.75Å; R813-I818 HydrophobicContact CB-CG1 4.46Å; G814-I818 PolarHBondContact O-N 3.39Å; G814-I818 VanDerWaalsContact O-N 3.15Å; S815-I818 PolarHBondContact O-N 2.97Å; I818-T821 PolarHBondContact O-N 3.16Å; I818-A822 VanDerWaalsContact O-CB 3.3Å; I818-A822 WeakPolarHBondContact O-CB 3.37Å; I818-A822 PolarHBondContact O-N 3.14Å
819	I	94.4	Very high	91.2	Very high	26 Å²	26	36.9 Å²	36.9	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-51.2	-174.9	-65.3	170	0	0	0	111.5	Y775 Q778 W782 S815 T821 A822 R823	Y775-I819 HydrophobicContact CD1-CD1 4.45Å; Y775-I819 WeakPolarHBondContact O-CG1 3.43Å; Q778-I819 HydrophobicContact CB-CD1 4.33Å; Q778-I819 HydrophobicContact CB-CG1 4.36Å; W782-I819 HydrophobicContact CE3-CG2 3.85Å; W782-I819 HydrophobicContact CZ3-CG2 4.1Å; S815-I819 VanDerWaalsContact O-CB 3.29Å; S815-I819 WeakPolarHBondContact O-CB 3.39Å; S815-I819 VanDerWaalsContact O-CG1 3.23Å; S815-I819 WeakPolarHBondContact O-CG1 3.2Å; S815-I819 PolarHBondContact O-N 3.07Å; I819-T821 VanDerWaalsContact C-N 3.34Å; I819-T821 PolarHBondContact O-N 3.11Å; I819-A822 PolarHBondContact O-N 3.33Å; I819-R823 PolarHBondContact O-N 2.78Å
820	P	94	Very high	91.5	Very high	51 Å²	51	32.1 Å²	32.1	33%	0.331	19%	0.186	S	C	.	.	H	α-helix	trans	-67.2	-34.4	179.4	-20.3	34.9	0	0	0	112.7	G816 R823 R824	G816-P820 WeakPolarHBondContact O-CD 3.13Å; G816-P820 WeakPolarHBondContact O-CG 3.37Å; P820-R823 PolarHBondContact O-N 2.9Å; P820-R824 WeakPolarHBondContact O-CG 3.49Å; P820-R824 PolarHBondContact O-N 2.9Å
821	T	93.5	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.2	-39.7	176.8	-68.2	0	0	0	0	112	A686 E687 T688 L695 Q817 I818 I819 R823 R824 V825	A686-T821 HydrophobicContact CB-CG2 3.78Å; A686-T821 WeakPolarHBondContact O-CG2 3.29Å; E687-T821 PolarHBondContact O-OG1 3.4Å; T688-T821 WeakPolarHBondContact CA-OG1 3.34Å; T688-T821 HydrophobicContact CG2-CG2 4.13Å; L695-T821 HydrophobicContact CD1-CG2 4.48Å; Q817-T821 PolarHBondContact O-OG1 3.3Å; I818-T821 PolarHBondContact O-N 3.16Å; I819-T821 VanDerWaalsContact C-N 3.34Å; I819-T821 PolarHBondContact O-N 3.11Å; T821-R823 VanDerWaalsContact C-N 3.32Å; T821-R823 PolarHBondContact O-N 3.28Å; T821-R824 PolarHBondContact O-N 2.85Å; T821-R824 PolarHBondContact OG1-NH2 3.15Å; T821-V825 WeakPolarHBondContact O-CG1 3.5Å; T821-V825 PolarHBondContact O-N 3.3Å
822	A	94	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-39.3	173.2	0	0	0	0	0	111.9	L695 I776 I818 I819 V825 A826	L695-A822 HydrophobicContact CD1-CB 4.05Å; I776-A822 HydrophobicContact CG2-CB 4.32Å; I818-A822 VanDerWaalsContact O-CB 3.3Å; I818-A822 WeakPolarHBondContact O-CB 3.37Å; I818-A822 PolarHBondContact O-N 3.14Å; I819-A822 PolarHBondContact O-N 3.33Å; A822-V825 VanDerWaalsContact O-CG1 3.27Å; A822-V825 WeakPolarHBondContact O-CG1 3.25Å; A822-A826 WeakPolarHBondContact O-CB 3.14Å; A822-A826 PolarHBondContact O-N 3.17Å
823	R	94	Very high	92.1	Very high	50 Å²	50	22.8 Å²	22.8	19%	0.189	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-49.4	172.8	177.8	176.7	174.1	-169.6	-4.5	111.9	W782 E786 I819 P820 T821 A826 Y827	W782-R823 VanDerWaalsContact CE2-NH1 3.26Å; E786-R823 IonicContact OE2-CZ 2.79Å; E786-R823 IonicContact OE2-NH1 3.5Å; E786-R823 PolarHBondContact OE2-NH1 2.82Å; E786-R823 IonicContact OE2-NH2 2.99Å; E786-R823 PolarHBondContact OE2-NH2 3.34Å; I819-R823 PolarHBondContact O-N 2.78Å; P820-R823 PolarHBondContact O-N 2.9Å; T821-R823 VanDerWaalsContact C-N 3.32Å; T821-R823 PolarHBondContact O-N 3.28Å; R823-A826 PolarHBondContact O-N 3.4Å; R823-Y827 HydrophobicContact CG-CD2 4.17Å; R823-Y827 HydrophobicContact CG-CE2 3.65Å; R823-Y827 PolarHBondContact NE-OH 2.96Å; R823-Y827 PolarHBondContact NH2-OH 2.83Å; R823-Y827 PolarHBondContact O-N 3.43Å; R823-Y827 VanDerWaalsContact O-N 3.1Å
824	R	92.6	Very high	92.3	Very high	60 Å²	60	22.8 Å²	22.8	23%	0.226	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-45.8	179.7	-74.2	-170.7	-62.9	144.3	6.7	112.5	A686 E687 P820 T821 A826 Y827 S828 D964	A686-R824 HydrophobicContact CB-CB 4.46Å; E687-R824 PolarHBondContact O-NH2 2.99Å; P820-R824 WeakPolarHBondContact O-CG 3.49Å; P820-R824 PolarHBondContact O-N 2.9Å; T821-R824 PolarHBondContact O-N 2.85Å; T821-R824 PolarHBondContact OG1-NH2 3.15Å; R824-A826 VanDerWaalsContact C-N 3.3Å; R824-A826 PolarHBondContact O-N 2.92Å; R824-Y827 PolarHBondContact O-N 2.88Å; R824-S828 PolarHBondContact O-N 3.39Å; R824-S828 PolarHBondContact O-OG 2.83Å; R824-S828 VanDerWaalsContact O-OG 3.1Å; R824-D964 IonicContact CZ-OD1 3.55Å; R824-D964 IonicContact NH1-OD1 3.15Å; R824-D964 PolarHBondContact NH1-OD1 3.18Å
825	V	93.1	Very high	92.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-36	179.3	70.1	0	0	0	0	112	C684 A686 L695 M697 T821 A822 S828 A829	C684-V825 WeakPolarHBondContact O-CG2 3.47Å; A686-V825 HydrophobicContact CB-CB 3.81Å; A686-V825 HydrophobicContact CB-CG2 4.44Å; L695-V825 HydrophobicContact CB-CG1 4.19Å; L695-V825 WeakPolarHBondContact O-CG2 3.31Å; M697-V825 HydrophobicContact CB-CG2 3.95Å; M697-V825 HydrophobicContact CE-CG1 3.65Å; M697-V825 HydrophobicContact CG-CG1 3.9Å; M697-V825 HydrophobicContact CG-CG2 3.99Å; M697-V825 HydrophobicContact SD-CG1 3.66Å; T821-V825 WeakPolarHBondContact O-CG1 3.5Å; T821-V825 PolarHBondContact O-N 3.3Å; A822-V825 VanDerWaalsContact O-CG1 3.27Å; A822-V825 WeakPolarHBondContact O-CG1 3.25Å; V825-S828 PolarHBondContact O-N 3.41Å; V825-A829 WeakPolarHBondContact O-CB 3.38Å; V825-A829 PolarHBondContact O-N 2.87Å
826	A	93.2	Very high	92.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-42.6	174.3	0	0	0	0	0	111.5	F799 A822 R823 R824 A829 F830	F799-A826 HydrophobicContact CD1-CB 4.31Å; F799-A826 HydrophobicContact CE1-CB 4.05Å; F799-A826 WeakPolarHBondContact CE1-O 3.48Å; A822-A826 WeakPolarHBondContact O-CB 3.14Å; A822-A826 PolarHBondContact O-N 3.17Å; R823-A826 PolarHBondContact O-N 3.4Å; R824-A826 VanDerWaalsContact C-N 3.3Å; R824-A826 PolarHBondContact O-N 2.92Å; A826-A829 PolarHBondContact O-N 3.33Å; A826-F830 WeakPolarHBondContact O-CB 3.2Å; A826-F830 PolarHBondContact O-N 3.4Å
827	Y	93.6	Very high	93	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-44.1	174.6	-67.2	-22.8	0	0	0	113.2	G783 P788 R823 R824 A829 F830 L831 F962	G783-Y827 VanDerWaalsContact O-CE1 3.22Å; G783-Y827 WeakPolarHBondContact O-CE1 3.37Å; G783-Y827 PolarHBondContact O-OH 3.16Å; P788-Y827 HydrophobicContact CB-CD1 3.85Å; P788-Y827 HydrophobicContact CB-CE1 4.34Å; P788-Y827 HydrophobicContact CB-CG 3.95Å; P788-Y827 HydrophobicContact CG-CD1 3.96Å; P788-Y827 HydrophobicContact CG-CG 4.43Å; R823-Y827 HydrophobicContact CG-CD2 4.17Å; R823-Y827 HydrophobicContact CG-CE2 3.65Å; R823-Y827 PolarHBondContact NE-OH 2.96Å; R823-Y827 PolarHBondContact NH2-OH 2.83Å; R823-Y827 PolarHBondContact O-N 3.43Å; R823-Y827 VanDerWaalsContact O-N 3.1Å; R824-Y827 PolarHBondContact O-N 2.88Å; Y827-A829 PolarHBondContact O-N 3Å; Y827-F830 PolarHBondContact O-N 3.2Å; Y827-L831 WeakPolarHBondContact O-CB 3.39Å; Y827-L831 WeakPolarHBondContact O-CG 3.34Å; Y827-L831 PolarHBondContact O-N 2.88Å; Y827-F962 AromaticContact CD2-CD1 3.69Å; Y827-F962 HydrophobicContact CD2-CD1 3.69Å; Y827-F962 AromaticContact CD2-CE1 3.43Å; Y827-F962 HydrophobicContact CD2-CE1 3.43Å; Y827-F962 VanDerWaalsContact CD2-CE1 3.43Å; Y827-F962 HydrophobicContact CD2-CG 4.44Å; Y827-F962 HydrophobicContact CD2-CZ 4Å; Y827-F962 AromaticContact CE2-CE1 3.97Å; Y827-F962 HydrophobicContact CE2-CE1 3.97Å; Y827-F962 HydrophobicContact CE2-CZ 4.47Å; Y827-F962 HydrophobicContact CG-CD1 4.43Å; Y827-F962 HydrophobicContact CG-CE1 4.38Å
828	S	91.4	Very high	93.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-44.2	177.7	-58.2	0	0	0	0	111.5	C684 R824 V825 F830 L831 M832 F962	C684-S828 VanDerWaalsContact SG-C 3.56Å; C684-S828 PolarHBondContact SG-O 3.16Å; C684-S828 VanDerWaalsContact SG-O 3.38Å; R824-S828 PolarHBondContact O-N 3.39Å; R824-S828 PolarHBondContact O-OG 2.83Å; R824-S828 VanDerWaalsContact O-OG 3.1Å; V825-S828 PolarHBondContact O-N 3.41Å; S828-F830 PolarHBondContact O-N 2.86Å; S828-L831 PolarHBondContact O-N 2.89Å; S828-M832 WeakPolarHBondContact O-CG 3.13Å; S828-M832 PolarHBondContact O-N 3Å; S828-F962 PolarHBondContact OG-O 3.47Å; S828-F962 VanDerWaalsContact OG-O 3.09Å
829	A	92.6	Very high	93.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-41.8	175.6	0	0	0	0	0	112.1	C684 M697 A699 V825 A826 Y827 A833	C684-A829 HydrophobicContact CB-CB 4.35Å; M697-A829 HydrophobicContact CB-CB 4.31Å; A699-A829 HydrophobicContact CB-CB 4.12Å; V825-A829 WeakPolarHBondContact O-CB 3.38Å; V825-A829 PolarHBondContact O-N 2.87Å; A826-A829 PolarHBondContact O-N 3.33Å; Y827-A829 PolarHBondContact O-N 3Å; A829-A833 WeakPolarHBondContact O-CB 3.38Å; A829-A833 PolarHBondContact O-N 2.96Å
830	F	94	Very high	93.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.8	-45.9	178.3	-178.5	-87.4	0	0	0	112.6	E674 T675 V676 P788 L789 I794 V797 F799 A826 Y827 S828 M832 A833 P835	E674-F830 HydrophobicContact CB-CE1 4.21Å; E674-F830 HydrophobicContact CB-CE2 4.34Å; E674-F830 HydrophobicContact CB-CZ 3.59Å; T675-F830 WeakPolarHBondContact O-CZ 3.19Å; V676-F830 HydrophobicContact CG1-CD2 3.47Å; V676-F830 VanDerWaalsContact CG1-CD2 3.47Å; V676-F830 HydrophobicContact CG1-CE2 3.51Å; V676-F830 HydrophobicContact CG1-CG 4.15Å; V676-F830 HydrophobicContact CG1-CZ 4.21Å; P788-F830 HydrophobicContact CG-CB 4.4Å; P788-F830 HydrophobicContact CG-CD1 3.33Å; P788-F830 HydrophobicContact CG-CE1 3.87Å; P788-F830 HydrophobicContact CG-CG 4.11Å; L789-F830 HydrophobicContact CD1-CE1 4.33Å; L789-F830 HydrophobicContact CG-CE1 4.15Å; I794-F830 HydrophobicContact CD1-CD2 3.97Å; I794-F830 HydrophobicContact CD1-CE2 4.32Å; I794-F830 HydrophobicContact CD1-CG 4.29Å; I794-F830 HydrophobicContact CG1-CE2 4.37Å; I794-F830 HydrophobicContact CG2-CD2 4.05Å; I794-F830 HydrophobicContact CG2-CE2 3.79Å; V797-F830 HydrophobicContact CG1-CD2 4.47Å; V797-F830 HydrophobicContact CG2-CD2 4.13Å; V797-F830 HydrophobicContact CG2-CE2 3.87Å; F799-F830 HydrophobicContact CE1-CB 4.34Å; F799-F830 HydrophobicContact CZ-CB 4.39Å; F799-F830 HydrophobicContact CZ-CD2 4.36Å; A826-F830 WeakPolarHBondContact O-CB 3.2Å; A826-F830 PolarHBondContact O-N 3.4Å; Y827-F830 PolarHBondContact O-N 3.2Å; S828-F830 PolarHBondContact O-N 2.86Å; F830-M832 PolarHBondContact O-N 2.71Å; F830-A833 PolarHBondContact O-N 3.07Å; F830-A833 VanDerWaalsContact O-N 3.09Å; F830-P835 HydrophobicContact CD1-CB 3.95Å; F830-P835 HydrophobicContact CE1-CB 3.37Å; F830-P835 HydrophobicContact CZ-CB 3.93Å
831	L	91.6	Very high	93.3	Very high	15 Å²	15	14.2 Å²	14.2	8%	0.079	6%	0.063	C	C	.	.	H	α-helix	trans	-65.1	-27.9	-179.4	-71.3	172.1	0	0	0	112.9	P788 L789 Y827 S828 A833 P835 V957 F962 F963	P788-L831 HydrophobicContact CB-CD1 4.32Å; P788-L831 HydrophobicContact CB-CD2 4.2Å; P788-L831 HydrophobicContact CB-CG 4.2Å; P788-L831 HydrophobicContact CG-CD2 4.12Å; P788-L831 HydrophobicContact CG-CG 4.15Å; L789-L831 HydrophobicContact CD2-CD2 4.05Å; Y827-L831 WeakPolarHBondContact O-CB 3.39Å; Y827-L831 WeakPolarHBondContact O-CG 3.34Å; Y827-L831 PolarHBondContact O-N 2.88Å; S828-L831 PolarHBondContact O-N 2.89Å; L831-A833 VanDerWaalsContact C-N 3.35Å; L831-P835 HydrophobicContact CD2-CG 4.46Å; L831-P835 WeakPolarHBondContact O-CD 3.2Å; L831-V957 HydrophobicContact CD1-CG1 4.16Å; L831-V957 HydrophobicContact CD2-CG1 4.03Å; L831-F962 HydrophobicContact CD1-CD2 3.69Å; L831-F962 HydrophobicContact CD1-CE2 4.12Å; L831-F963 HydrophobicContact CD1-CE2 4.49Å
832	M	89.9	Confident	93.4	Very high	28 Å²	28	14.4 Å²	14.4	14%	0.138	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.4	175.8	-68.4	-64.5	161.3	0	0	113.9	S681 S828 F830 I959 F963 L971	S681-M832 PolarHBondContact N-O 3.48Å; S828-M832 WeakPolarHBondContact O-CG 3.13Å; S828-M832 PolarHBondContact O-N 3Å; F830-M832 PolarHBondContact O-N 2.71Å; M832-I959 HydrophobicContact CE-CG2 4.1Å; M832-F963 HydrophobicContact CE-CD1 4.43Å; M832-F963 HydrophobicContact CE-CE1 3.46Å; M832-F963 VanDerWaalsContact CE-CE1 3.46Å; M832-F963 HydrophobicContact CE-CE2 4.11Å; M832-F963 HydrophobicContact CE-CZ 3.25Å; M832-F963 HydrophobicContact CG-CE1 4.15Å; M832-F963 HydrophobicContact CG-CZ 3.85Å; M832-F963 HydrophobicContact SD-CZ 4.4Å; M832-L971 HydrophobicContact CE-CD1 3.69Å; M832-L971 HydrophobicContact CE-CD2 3.37Å; M832-L971 HydrophobicContact CE-CG 4.18Å; M832-L971 HydrophobicContact SD-CD2 3.88Å
833	A	89.5	Confident	93.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-98.1	34.6	-176.4	0	0	0	0	0	112.9	V676 E678 A699 A829 F830 L831	V676-A833 HydrophobicContact CB-CB 3.88Å; V676-A833 VanDerWaalsContact CB-O 3.28Å; V676-A833 WeakPolarHBondContact CB-O 3.48Å; V676-A833 HydrophobicContact CG1-CB 3.6Å; E678-A833 WeakPolarHBondContact O-CB 3.45Å; A699-A833 HydrophobicContact CB-CB 3.92Å; A829-A833 WeakPolarHBondContact O-CB 3.38Å; A829-A833 PolarHBondContact O-N 2.96Å; F830-A833 PolarHBondContact O-N 3.07Å; F830-A833 VanDerWaalsContact O-N 3.09Å; L831-A833 VanDerWaalsContact C-N 3.35Å
834	T	92	Very high	93.5	Very high	50 Å²	50	13 Å²	13	31%	0.307	6%	0.06	S	C	.	.			trans	51	69.5	-179.9	59.7	0	0	0	0	112.7	E678	E678-T834 HydrophobicContact CB-CG2 4.37Å; E678-T834 WeakPolarHBondContact CB-OG1 3.43Å; E678-T834 PolarHBondContact N-OG1 2.82Å; E678-T834 VanDerWaalsContact N-OG1 3.12Å
835	P	94	Very high	93.6	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.026	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.7	-171.4	31.9	-38.2	0	0	0	112	T675 L789 F830 L831 P921 L922	T675-P835 CarbonylContact O-C 3.58Å; T675-P835 WeakPolarHBondContact O-CA 3.4Å; L789-P835 HydrophobicContact CD1-CB 4.14Å; L789-P835 HydrophobicContact CD2-CB 4.23Å; L789-P835 HydrophobicContact CD2-CG 4.19Å; L789-P835 HydrophobicContact CG-CB 4.45Å; F830-P835 HydrophobicContact CD1-CB 3.95Å; F830-P835 HydrophobicContact CE1-CB 3.37Å; F830-P835 HydrophobicContact CZ-CB 3.93Å; L831-P835 HydrophobicContact CD2-CG 4.46Å; L831-P835 WeakPolarHBondContact O-CD 3.2Å; P835-P921 WeakPolarHBondContact O-CG 3.41Å; P835-L922 HydrophobicContact CG-CD1 3.46Å; P835-L922 VanDerWaalsContact CG-CD1 3.46Å; P835-L922 HydrophobicContact CG-CG 4.17Å
836	R	95.1	Very high	93.7	Very high	65 Å²	65	10.3 Å²	10.3	25%	0.245	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	154	177	-61.6	-65.4	176.1	177.4	-14.7	110.6	T675 V677 G919 D920	T675-R836 HydrophobicContact CG2-CB 3.88Å; T675-R836 PolarHBondContact N-O 3.32Å; T675-R836 PolarHBondContact O-N 2.95Å; V677-R836 HydrophobicContact CG2-CB 4.41Å; V677-R836 HydrophobicContact CG2-CG 3.47Å; V677-R836 VanDerWaalsContact CG2-CG 3.47Å; R836-G919 PolarHBondContact NH1-O 3.21Å; R836-D920 VanDerWaalsContact NH1-CB 3.29Å; R836-D920 IonicContact NH1-OD2 3.78Å; R836-D920 IonicContact NH2-OD2 3.73Å
837	L	95.3	Very high	93.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.7	167.2	-69.1	179.1	0	0	0	110.4	C673 E674 L789 M916 V917 P921 F943 M944	C673-L837 CarbonylContact O-C 3.56Å; E674-L837 HydrophobicContact CG-CD2 4.2Å; L789-L837 HydrophobicContact CB-CD2 4.48Å; L789-L837 HydrophobicContact CD1-CD2 3.85Å; L789-L837 HydrophobicContact CD1-CG 4.32Å; L837-M916 WeakPolarHBondContact O-CA 3.46Å; L837-V917 HydrophobicContact CB-CB 4.39Å; L837-V917 HydrophobicContact CB-CG2 4.03Å; L837-V917 PolarHBondContact O-N 3Å; L837-P921 HydrophobicContact CD1-CB 4.44Å; L837-P921 HydrophobicContact CG-CB 4.3Å; L837-F943 HydrophobicContact CD1-CB 4.22Å; L837-M944 HydrophobicContact CD1-CB 3.89Å
838	M	95.2	Very high	93.8	Very high	3 Å²	3	11 Å²	11	2%	0.015	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.8	167.9	-69.4	-174.6	-65.2	0	0	109.6	C673 T675 R795 W914 Q915 M916	C673-M838 HydrophobicContact CB-CB 4.18Å; C673-M838 HydrophobicContact CB-CE 3.72Å; C673-M838 PolarHBondContact N-O 3.06Å; C673-M838 PolarHBondContact O-N 2.77Å; T675-M838 HydrophobicContact CG2-CE 4.2Å; T675-M838 HydrophobicContact CG2-CG 3.59Å; T675-M838 HydrophobicContact CG2-SD 3.84Å; R795-M838 HydrophobicContact CB-CE 3.37Å; R795-M838 VanDerWaalsContact CD-CE 3.46Å; R795-M838 HydrophobicContact CG-CE 3.46Å; R795-M838 VanDerWaalsContact CG-CE 3.46Å; R795-M838 HydrophobicContact CG-SD 4.49Å; M838-W914 HydrophobicContact CB-CB 4.34Å; M838-W914 HydrophobicContact CB-CE3 4.46Å; M838-W914 HydrophobicContact SD-CB 4.26Å; M838-Q915 CarbonylContact C-O 3.5Å; M838-Q915 WeakPolarHBondContact CA-O 3.26Å; M838-M916 HydrophobicContact CG-CG 4.27Å
839	E	95	Very high	93.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	148.8	170.1	64.2	-175.8	173.7	0	0	109.8	F672 Y841 R864 Q915 V917	F672-E839 HydrophobicContact CD1-CB 4.3Å; F672-E839 HydrophobicContact CE1-CB 4.23Å; E839-Y841 HydrophobicContact CG-CD2 4.05Å; E839-Y841 HydrophobicContact CG-CE2 3.48Å; E839-Y841 VanDerWaalsContact CG-CE2 3.48Å; E839-Y841 WeakPolarHBondContact OE1-CE2 3.49Å; E839-Y841 PolarHBondContact OE1-OH 2.94Å; E839-R864 IonicContact OE1-CZ 3.08Å; E839-R864 IonicContact OE1-NH1 2.92Å; E839-R864 PolarHBondContact OE1-NH1 3.47Å; E839-R864 IonicContact OE1-NH2 3.5Å; E839-R864 PolarHBondContact OE1-NH2 3.13Å; E839-R864 IonicContact OE2-CZ 2.87Å; E839-R864 IonicContact OE2-NH1 3.36Å; E839-R864 IonicContact OE2-NH2 2.75Å; E839-R864 PolarHBondContact OE2-NH2 3.35Å; E839-Q915 PolarHBondContact N-O 2.91Å; E839-Q915 PolarHBondContact O-N 3.22Å; E839-V917 HydrophobicContact CB-CG2 3.66Å; E839-V917 HydrophobicContact CG-CG2 3.84Å
840	P	95.3	Very high	93.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	145.4	173.9	26.7	-23.6	0	0	0	110.7	V597 V670 V887 F911 W914	V597-P840 HydrophobicContact CG1-CB 3.36Å; V597-P840 HydrophobicContact CG1-CG 3.13Å; V597-P840 HydrophobicContact CG2-CB 4.48Å; V670-P840 HydrophobicContact CB-CG 3.91Å; V670-P840 HydrophobicContact CG1-CG 4.33Å; V670-P840 HydrophobicContact CG2-CG 4.26Å; P840-V887 HydrophobicContact CB-CB 4.48Å; P840-V887 HydrophobicContact CB-CG2 3.89Å; P840-V887 HydrophobicContact CG-CB 4.03Å; P840-V887 HydrophobicContact CG-CG2 3.99Å; P840-V887 WeakPolarHBondContact O-CG2 3.44Å; P840-V887 PolarHBondContact O-N 3.4Å; P840-F911 HydrophobicContact CB-CD2 4.12Å; P840-F911 HydrophobicContact CB-CE2 3.71Å; P840-W914 HydrophobicContact CB-CD2 4.4Å; P840-W914 HydrophobicContact CB-CE3 3.84Å; P840-W914 HydrophobicContact CB-CH2 3.99Å; P840-W914 HydrophobicContact CB-CZ3 3.63Å; P840-W914 HydrophobicContact CG-CE3 4.35Å; P840-W914 HydrophobicContact CG-CH2 4.21Å; P840-W914 HydrophobicContact CG-CZ3 3.76Å
841	Y	95.4	Very high	93.9	Very high	17 Å²	17	20.3 Å²	20.3	7%	0.067	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.3	175	-86.1	-110.6	0	0	0	111.6	E839 F884 P886 N912 H913 Q915	E839-Y841 HydrophobicContact CG-CD2 4.05Å; E839-Y841 HydrophobicContact CG-CE2 3.48Å; E839-Y841 VanDerWaalsContact CG-CE2 3.48Å; E839-Y841 WeakPolarHBondContact OE1-CE2 3.49Å; E839-Y841 PolarHBondContact OE1-OH 2.94Å; Y841-F884 HydrophobicContact CD1-CB 4.09Å; Y841-P886 HydrophobicContact CD1-CG 4.37Å; Y841-P886 HydrophobicContact CE1-CB 4.32Å; Y841-P886 HydrophobicContact CE1-CG 3.67Å; Y841-P886 HydrophobicContact CE2-CB 4.34Å; Y841-P886 HydrophobicContact CE2-CG 4.32Å; Y841-N912 PolarHBondContact O-N 3.39Å; Y841-N912 VanDerWaalsContact O-N 3.15Å; Y841-H913 PolarHBondContact N-O 3.38Å; Y841-Q915 HydrophobicContact CD2-CB 3.66Å; Y841-Q915 HydrophobicContact CE2-CB 3.55Å; Y841-Q915 HydrophobicContact CE2-CG 4.14Å
842	Y	95.4	Very high	94.1	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.1	167.2	-73.2	-19.7	0	0	0	111.8	V598 T642 F884 V885 V887 S890 L909 V910 F911	V598-Y842 WeakPolarHBondContact CG2-OH 3.36Å; T642-Y842 PolarHBondContact O-OH 3.33Å; Y842-F884 CarbonylContact O-C 3.58Å; Y842-F884 VanDerWaalsContact O-CA 3.31Å; Y842-F884 WeakPolarHBondContact O-CA 3.41Å; Y842-V885 PolarHBondContact N-O 3.38Å; Y842-V885 PolarHBondContact O-N 2.79Å; Y842-V887 HydrophobicContact CD1-CG2 3.37Å; Y842-V887 HydrophobicContact CD2-CB 4.44Å; Y842-V887 HydrophobicContact CD2-CG1 4.34Å; Y842-V887 HydrophobicContact CD2-CG2 3.88Å; Y842-V887 HydrophobicContact CE1-CB 4.38Å; Y842-V887 HydrophobicContact CE1-CG1 4.14Å; Y842-V887 HydrophobicContact CE1-CG2 3.32Å; Y842-V887 HydrophobicContact CE2-CB 4.19Å; Y842-V887 HydrophobicContact CE2-CG1 3.62Å; Y842-V887 HydrophobicContact CE2-CG2 3.83Å; Y842-V887 HydrophobicContact CG-CG2 3.66Å; Y842-V887 VanDerWaalsContact CZ-CG1 3.49Å; Y842-V887 WeakPolarHBondContact OH-CG1 3.1Å; Y842-S890 WeakPolarHBondContact CD2-OG 3.46Å; Y842-S890 WeakPolarHBondContact CE2-OG 3.41Å; Y842-L909 HydrophobicContact CD2-CB 3.84Å; Y842-L909 HydrophobicContact CD2-CD1 4.34Å; Y842-L909 HydrophobicContact CD2-CD2 4.49Å; Y842-L909 HydrophobicContact CD2-CG 4.45Å; Y842-L909 HydrophobicContact CE2-CB 4.36Å; Y842-L909 HydrophobicContact CG-CB 4.33Å; Y842-V910 CarbonylContact C-O 3.53Å; Y842-V910 WeakPolarHBondContact CA-O 3.47Å; Y842-V910 WeakPolarHBondContact CD1-O 3.47Å; Y842-F911 HydrophobicContact CD1-CB 4.23Å; Y842-F911 HydrophobicContact CE1-CB 4.03Å
843	L	95.1	Very high	94.2	Very high	22 Å²	22	19.7 Å²	19.7	12%	0.115	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.9	157	175.6	62.1	0	0	0	107.6	L240 R882 F884 V910 N912	L240-L843 HydrophobicContact CD1-CD2 3.62Å; L240-L843 HydrophobicContact CD1-CG 4.38Å; L843-R882 HydrophobicContact CD1-CB 4.33Å; L843-F884 HydrophobicContact CB-CD1 4.22Å; L843-F884 HydrophobicContact CB-CE1 3.98Å; L843-F884 HydrophobicContact CD1-CD1 4.17Å; L843-F884 HydrophobicContact CD1-CE1 3.79Å; L843-F884 HydrophobicContact CD1-CZ 4.37Å; L843-F884 HydrophobicContact CG-CE1 4.41Å; L843-V910 HydrophobicContact CB-CG1 3.91Å; L843-V910 HydrophobicContact CG-CG1 4.48Å; L843-V910 PolarHBondContact N-O 2.98Å; L843-V910 PolarHBondContact O-N 3.06Å; L843-N912 HydrophobicContact CB-CB 3.84Å
844	V	94.7	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.2	177.9	-172.8	0	0	0	0	107.5	V846 R882 A883 V885 F893 C907 M908 L909	V844-V846 HydrophobicContact CG1-CG2 3.68Å; V844-R882 CarbonylContact O-C 3.56Å; V844-R882 VanDerWaalsContact O-CA 3.3Å; V844-R882 WeakPolarHBondContact O-CA 3.38Å; V844-A883 HydrophobicContact CB-CB 4.5Å; V844-A883 PolarHBondContact N-O 3.02Å; V844-A883 PolarHBondContact O-N 3.16Å; V844-V885 HydrophobicContact CG2-CB 3.93Å; V844-V885 HydrophobicContact CG2-CG2 3.61Å; V844-F893 HydrophobicContact CG1-CD1 4.43Å; V844-F893 HydrophobicContact CG1-CE1 3.59Å; V844-F893 HydrophobicContact CG1-CZ 4.18Å; V844-C907 HydrophobicContact CG1-CB 4.06Å; V844-M908 WeakPolarHBondContact CA-O 3.47Å; V844-L909 HydrophobicContact CB-CD2 3.98Å; V844-L909 HydrophobicContact CG1-CD2 3.75Å; V844-L909 HydrophobicContact CG2-CD2 3.35Å
845	E	95	Very high	94.4	Very high	3 Å²	3	22.4 Å²	22.4	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	114.9	167.2	-171.1	173	86.3	0	0	108.6	L240 V880 R882 C907 M908	L240-E845 HydrophobicContact CB-CB 3.99Å; L240-E845 HydrophobicContact CB-CG 4.39Å; L240-E845 WeakPolarHBondContact CB-OE1 3.35Å; L240-E845 HydrophobicContact CD2-CB 3.97Å; L240-E845 PolarHBondContact N-OE1 3.1Å; L240-E845 PolarHBondContact N-OE2 3.47Å; E845-V880 HydrophobicContact CG-CG1 3.68Å; E845-R882 HydrophobicContact CG-CG 4.29Å; E845-R882 IonicContact OE2-CZ 3.44Å; E845-R882 IonicContact OE2-NE 3.49Å; E845-R882 PolarHBondContact OE2-NE 3.43Å; E845-R882 IonicContact OE2-NH2 3.67Å; E845-R882 PolarHBondContact OE2-NH2 3.37Å; E845-C907 CarbonylContact O-C 3.55Å; E845-C907 VanDerWaalsContact O-CA 3.31Å; E845-C907 WeakPolarHBondContact O-CA 3.35Å; E845-M908 PolarHBondContact N-O 3.31Å; E845-M908 PolarHBondContact O-N 2.95Å
846	V	95.3	Very high	94.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.6	178.7	-174.7	0	0	0	0	109.4	V844 A848 V856 V880 I881 L897 A905 F906 C907	V844-V846 HydrophobicContact CG1-CG2 3.68Å; V846-A848 HydrophobicContact CG1-CB 4.32Å; V846-V856 HydrophobicContact CB-CG1 4.11Å; V846-V856 HydrophobicContact CG1-CG1 3.97Å; V846-V856 HydrophobicContact CG1-CG2 3.89Å; V846-V856 HydrophobicContact CG2-CG1 3.89Å; V846-V880 WeakPolarHBondContact O-CA 3.21Å; V846-I881 HydrophobicContact CB-CB 4.27Å; V846-I881 PolarHBondContact N-O 3.07Å; V846-I881 PolarHBondContact O-N 3.39Å; V846-L897 HydrophobicContact CG1-CD2 3.78Å; V846-L897 HydrophobicContact CG2-CD2 4.06Å; V846-A905 HydrophobicContact CG1-CB 4.24Å; V846-F906 CarbonylContact C-O 3.47Å; V846-F906 VanDerWaalsContact CA-O 3.3Å; V846-F906 WeakPolarHBondContact CA-O 3.27Å; V846-C907 HydrophobicContact CG2-CB 3.9Å
847	Q	93.8	Very high	94.4	Very high	18 Å²	18	23.6 Å²	23.6	8%	0.084	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.6	165.1	-64.6	178.7	25.6	0	0	108.7	L239 Y879 V880 A905 F906	L239-Q847 HydrophobicContact CD2-CG 4.44Å; Q847-Y879 WeakPolarHBondContact CA-O 3.46Å; Q847-V880 HydrophobicContact CG-CG2 4.33Å; Q847-A905 WeakPolarHBondContact O-CA 3.37Å; Q847-F906 PolarHBondContact N-O 3.41Å; Q847-F906 PolarHBondContact O-N 3.06Å
848	A	94.4	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	146	-179.9	0	0	0	0	0	111.1	V846 C852 V856 Y879 A905	V846-A848 HydrophobicContact CG1-CB 4.32Å; A848-C852 HydrophobicContact CB-CB 4.08Å; A848-V856 HydrophobicContact CB-CG2 4.03Å; A848-Y879 PolarHBondContact N-O 3.21Å; A848-Y879 PolarHBondContact O-N 2.91Å; A848-A905 HydrophobicContact CB-CB 3.9Å
849	P	94.3	Very high	94.4	Very high	26 Å²	26	27.1 Å²	27.1	17%	0.169	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	156.2	161.7	-28.8	40.3	0	0	0	112.2	D851 C852 V853 L878 Q904	P849-D851 WeakPolarHBondContact CB-OD1 3.44Å; P849-D851 PolarHBondContact O-N 3.36Å; P849-C852 PolarHBondContact O-N 3.12Å; P849-V853 PolarHBondContact O-N 2.89Å; P849-L878 HydrophobicContact CB-CD2 4.5Å; P849-L878 HydrophobicContact CG-CD2 3.87Å; P849-Q904 HydrophobicContact CG-CB 4.11Å
850	A	92.7	Very high	94.3	Very high	59 Å²	59	27.1 Å²	27.1	49%	0.488	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.9	-174.6	0	0	0	0	0	114.3	Y879	A850-Y879 HydrophobicContact CB-CD2 3.97Å; A850-Y879 HydrophobicContact CB-CE2 3.62Å
851	D	93.6	Very high	94.2	Very high	111 Å²	111	30.7 Å²	30.7	59%	0.594	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-33.2	176.4	56.5	-33.6	0	0	0	112.8	P849	P849-D851 WeakPolarHBondContact CB-OD1 3.44Å; P849-D851 PolarHBondContact O-N 3.36Å
852	C	94.3	Very high	94.1	Very high	12 Å²	12	38.3 Å²	38.3	8%	0.081	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.7	-179.4	-73.8	0	0	0	0	114.1	A848 P849 S854 A855 V856 Q904	A848-C852 HydrophobicContact CB-CB 4.08Å; P849-C852 PolarHBondContact O-N 3.12Å; C852-S854 VanDerWaalsContact C-N 3.29Å; C852-S854 PolarHBondContact O-N 2.92Å; C852-A855 WeakPolarHBondContact O-CB 3.49Å; C852-A855 PolarHBondContact O-N 2.79Å; C852-V856 WeakPolarHBondContact O-CG2 3.46Å; C852-V856 PolarHBondContact O-N 3.18Å; C852-Q904 PolarHBondContact SG-OE1 3.04Å; C852-Q904 VanDerWaalsContact SG-OE1 3.33Å
853	V	93.3	Very high	94	Very high	19 Å²	19	40.6 Å²	40.6	12%	0.115	23%	0.227	C	C	.	.	H	α-helix	trans	-51.6	-46.8	-177.8	176.1	0	0	0	0	111.5	P849 A855 V856 Y857 Y879 I881	P849-V853 PolarHBondContact O-N 2.89Å; V853-A855 VanDerWaalsContact C-N 3.28Å; V853-A855 PolarHBondContact O-N 3.09Å; V853-V856 WeakPolarHBondContact O-CB 3.38Å; V853-V856 PolarHBondContact O-N 3.1Å; V853-Y857 HydrophobicContact CG1-CD2 3.98Å; V853-Y857 HydrophobicContact CG1-CE2 3.7Å; V853-Y857 WeakPolarHBondContact O-CD2 3.22Å; V853-Y857 PolarHBondContact O-N 2.94Å; V853-Y879 HydrophobicContact CG2-CD1 4.47Å; V853-Y879 HydrophobicContact CG2-CD2 4.47Å; V853-Y879 HydrophobicContact CG2-CG 4.08Å; V853-I881 HydrophobicContact CB-CD1 4.3Å; V853-I881 HydrophobicContact CG1-CD1 3.88Å; V853-I881 HydrophobicContact CG2-CD1 4.24Å
854	S	92.5	Very high	93.9	Very high	83 Å²	83	43.1 Å²	43.1	58%	0.58	24%	0.235	S	C	*	.	H	α-helix	trans	-60.8	-34	179.4	65.8	0	0	0	0	113.9	C852 T858	C852-S854 VanDerWaalsContact C-N 3.29Å; C852-S854 PolarHBondContact O-N 2.92Å; S854-T858 PolarHBondContact O-N 3.19Å; S854-T858 PolarHBondContact O-OG1 3.27Å
855	A	93.7	Very high	93.7	Very high	23 Å²	23	44 Å²	44	19%	0.19	24%	0.243	C	C	.	.	H	α-helix	trans	-67.8	-39.8	175.1	0	0	0	0	0	110.9	C852 V853 Y857 T858 V859	C852-A855 WeakPolarHBondContact O-CB 3.49Å; C852-A855 PolarHBondContact O-N 2.79Å; V853-A855 VanDerWaalsContact C-N 3.28Å; V853-A855 PolarHBondContact O-N 3.09Å; A855-Y857 PolarHBondContact O-N 2.61Å; A855-T858 WeakPolarHBondContact O-CB 3.09Å; A855-T858 PolarHBondContact O-N 3.19Å; A855-V859 WeakPolarHBondContact O-CG2 3.46Å; A855-V859 PolarHBondContact O-N 3.06Å
856	V	94.2	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-49	176.6	-175.2	0	0	0	0	110.9	V846 A848 C852 V853 T858 V859 L860 I881 L897 A905	V846-V856 HydrophobicContact CB-CG1 4.11Å; V846-V856 HydrophobicContact CG1-CG1 3.97Å; V846-V856 HydrophobicContact CG1-CG2 3.89Å; V846-V856 HydrophobicContact CG2-CG1 3.89Å; A848-V856 HydrophobicContact CB-CG2 4.03Å; C852-V856 WeakPolarHBondContact O-CG2 3.46Å; C852-V856 PolarHBondContact O-N 3.18Å; V853-V856 WeakPolarHBondContact O-CB 3.38Å; V853-V856 PolarHBondContact O-N 3.1Å; V856-T858 VanDerWaalsContact C-N 3.28Å; V856-T858 PolarHBondContact O-N 2.98Å; V856-V859 PolarHBondContact O-N 3Å; V856-L860 HydrophobicContact CG1-CD1 3.84Å; V856-L860 HydrophobicContact CG1-CG 4.42Å; V856-L860 WeakPolarHBondContact O-CB 3.34Å; V856-L860 WeakPolarHBondContact O-CG 3.45Å; V856-L860 PolarHBondContact O-N 3.31Å; V856-I881 HydrophobicContact CB-CD1 3.84Å; V856-I881 HydrophobicContact CG1-CD1 3.85Å; V856-I881 HydrophobicContact CG1-CG2 4.48Å; V856-I881 HydrophobicContact CG2-CD1 3.87Å; V856-L897 HydrophobicContact CB-CD1 4.26Å; V856-L897 HydrophobicContact CG1-CD1 4.25Å; V856-L897 HydrophobicContact CG2-CD1 4.01Å; V856-A905 HydrophobicContact CG2-CB 4.42Å
857	Y	94.7	Very high	93.6	Very high	94 Å²	94	51.3 Å²	51.3	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-39.6	176.8	-83.1	-98.4	0	0	0	112.2	V853 A855 L860 A861 V867 D870	V853-Y857 HydrophobicContact CG1-CD2 3.98Å; V853-Y857 HydrophobicContact CG1-CE2 3.7Å; V853-Y857 WeakPolarHBondContact O-CD2 3.22Å; V853-Y857 PolarHBondContact O-N 2.94Å; A855-Y857 PolarHBondContact O-N 2.61Å; Y857-L860 PolarHBondContact O-N 2.93Å; Y857-A861 VanDerWaalsContact O-CB 3.29Å; Y857-A861 WeakPolarHBondContact O-CB 3.47Å; Y857-A861 PolarHBondContact O-N 2.85Å; Y857-V867 HydrophobicContact CD1-CG2 3.85Å; Y857-V867 HydrophobicContact CE1-CB 3.87Å; Y857-V867 HydrophobicContact CE1-CG1 4.09Å; Y857-V867 HydrophobicContact CE1-CG2 3.62Å; Y857-V867 HydrophobicContact CG-CG2 4.48Å; Y857-D870 WeakPolarHBondContact CE2-OD2 3.42Å; Y857-D870 WeakPolarHBondContact OH-CB 3.31Å; Y857-D870 PolarHBondContact OH-OD2 2.7Å
858	T	94.1	Very high	93.5	Very high	74 Å²	74	53.7 Å²	53.7	45%	0.454	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-43	179.7	-57.5	0	0	0	0	111.7	S854 A855 V856	S854-T858 PolarHBondContact O-N 3.19Å; S854-T858 PolarHBondContact O-OG1 3.27Å; A855-T858 WeakPolarHBondContact O-CB 3.09Å; A855-T858 PolarHBondContact O-N 3.19Å; V856-T858 VanDerWaalsContact C-N 3.28Å; V856-T858 PolarHBondContact O-N 2.98Å
859	V	95	Very high	93.4	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-69.7	-42.6	178.5	179.5	0	0	0	0	110.8	A855 V856 A861 R862 F893 D896 H900	A855-V859 WeakPolarHBondContact O-CG2 3.46Å; A855-V859 PolarHBondContact O-N 3.06Å; V856-V859 PolarHBondContact O-N 3Å; V859-A861 PolarHBondContact O-N 3.49Å; V859-R862 PolarHBondContact O-N 3.28Å; V859-F893 HydrophobicContact CB-CE2 4.46Å; V859-F893 HydrophobicContact CG1-CD2 3.91Å; V859-F893 HydrophobicContact CG1-CE2 3.69Å; V859-D896 HydrophobicContact CG1-CB 4.23Å; V859-H900 HydrophobicContact CG2-CB 4.07Å
860	L	94.5	Very high	93.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-43.9	176.8	-75.9	169.7	0	0	0	112.3	V856 Y857 R862 R863 G865 V867 A883 V885 F893	V856-L860 HydrophobicContact CG1-CD1 3.84Å; V856-L860 HydrophobicContact CG1-CG 4.42Å; V856-L860 WeakPolarHBondContact O-CB 3.34Å; V856-L860 WeakPolarHBondContact O-CG 3.45Å; V856-L860 PolarHBondContact O-N 3.31Å; Y857-L860 PolarHBondContact O-N 2.93Å; L860-R862 PolarHBondContact O-N 2.84Å; L860-R863 CarbonylContact O-C 3.51Å; L860-R863 PolarHBondContact O-N 3.11Å; L860-G865 WeakPolarHBondContact O-CA 3.29Å; L860-G865 PolarHBondContact O-N 3.4Å; L860-V867 HydrophobicContact CD1-CG2 3.66Å; L860-A883 HydrophobicContact CD1-CB 3.61Å; L860-A883 HydrophobicContact CD2-CB 3.92Å; L860-A883 HydrophobicContact CG-CB 4.44Å; L860-V885 HydrophobicContact CD2-CG2 3.36Å; L860-F893 HydrophobicContact CD2-CE2 3.58Å; L860-F893 HydrophobicContact CD2-CZ 3.5Å; L860-F893 VanDerWaalsContact CD2-CZ 3.5Å; L860-F893 HydrophobicContact CG-CE2 4.02Å; L860-F893 HydrophobicContact CG-CZ 3.97Å
861	A	93.4	Very high	93.3	Very high	75 Å²	75	58.5 Å²	58.5	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-61.3	-30.8	-178.9	0	0	0	0	0	113.2	Y857 V859 R863	Y857-A861 VanDerWaalsContact O-CB 3.29Å; Y857-A861 WeakPolarHBondContact O-CB 3.47Å; Y857-A861 PolarHBondContact O-N 2.85Å; V859-A861 PolarHBondContact O-N 3.49Å; A861-R863 VanDerWaalsContact C-N 3.27Å; A861-R863 PolarHBondContact O-N 3.42Å
862	R	92.7	Very high	93.3	Very high	178 Å²	178	57 Å²	57	67%	0.672	31%	0.307	S	S	*	.	H	α-helix	trans	-70.1	-22.7	176.4	-70.2	177.3	-179.4	178.2	0.3	113.5	V859 L860	V859-R862 PolarHBondContact O-N 3.28Å; L860-R862 PolarHBondContact O-N 2.84Å
863	R	93.1	Very high	93.1	Very high	51 Å²	51	57.3 Å²	57.3	19%	0.192	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	31.7	-171.3	-72.6	170.1	174.4	-86.3	7.2	112.2	L860 A861 G865 D889 F891 D896	L860-R863 CarbonylContact O-C 3.51Å; L860-R863 PolarHBondContact O-N 3.11Å; A861-R863 VanDerWaalsContact C-N 3.27Å; A861-R863 PolarHBondContact O-N 3.42Å; R863-G865 PolarHBondContact O-N 3.49Å; R863-D889 HydrophobicContact CB-CB 4.05Å; R863-D889 VanDerWaalsContact CD-O 3.26Å; R863-D889 WeakPolarHBondContact CD-O 3.2Å; R863-D889 WeakPolarHBondContact CG-O 3.27Å; R863-D889 PolarHBondContact NH1-O 2.81Å; R863-F891 PolarHBondContact NH1-O 2.91Å; R863-F891 PolarHBondContact NH2-O 2.91Å; R863-F891 VanDerWaalsContact NH2-O 3.12Å; R863-D896 IonicContact CZ-OD2 3.74Å; R863-D896 IonicContact NE-OD2 2.7Å; R863-D896 PolarHBondContact NE-OD2 3.17Å; R863-D896 IonicContact NH2-OD2 3.99Å; R863-D896 PolarHBondContact NH2-OD2 2.78Å
864	R	93.2	Very high	92.8	Very high	75 Å²	75	59.3 Å²	59.3	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	26.1	-175.7	-57	-172.9	-66.2	138.2	-6.9	113.9	E839 P886 D889	E839-R864 IonicContact OE1-CZ 3.08Å; E839-R864 IonicContact OE1-NH1 2.92Å; E839-R864 PolarHBondContact OE1-NH1 3.47Å; E839-R864 IonicContact OE1-NH2 3.5Å; E839-R864 PolarHBondContact OE1-NH2 3.13Å; E839-R864 IonicContact OE2-CZ 2.87Å; E839-R864 IonicContact OE2-NH1 3.36Å; E839-R864 IonicContact OE2-NH2 2.75Å; E839-R864 PolarHBondContact OE2-NH2 3.35Å; R864-P886 HydrophobicContact CB-CG 4.09Å; R864-P886 VanDerWaalsContact CZ-CG 3.43Å; R864-P886 VanDerWaalsContact NH2-CB 3.31Å; R864-P886 VanDerWaalsContact NH2-CG 3.29Å; R864-D889 IonicContact CZ-OD2 2.62Å; R864-D889 IonicContact NE-OD2 2.93Å; R864-D889 PolarHBondContact NE-OD2 3.04Å; R864-D889 IonicContact NH2-OD2 3.34Å; R864-D889 PolarHBondContact NH2-OD2 2.79Å
865	G	91	Very high	92.3	Very high	17 Å²	17	57.5 Å²	57.5	18%	0.175	32%	0.317	C	S	.	.			trans	-76.4	132.7	-178.3	0	0	0	0	0	112.4	L860 R863 F884	L860-G865 WeakPolarHBondContact O-CA 3.29Å; L860-G865 PolarHBondContact O-N 3.4Å; R863-G865 PolarHBondContact O-N 3.49Å; G865-F884 CarbonylContact C-O 3.59Å; G865-F884 WeakPolarHBondContact CA-O 3.49Å
866	H	92.5	Very high	92	Very high	129 Å²	129	57.4 Å²	57.4	60%	0.597	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.9	175.6	-178.9	64.2	0	0	0	110.9	A883 F884	H866-A883 CarbonylContact O-C 3.52Å; H866-A883 VanDerWaalsContact O-CA 3.23Å; H866-A883 WeakPolarHBondContact O-CA 3.26Å; H866-A883 WeakPolarHBondContact O-CB 3.3Å; H866-F884 PolarHBondContact N-O 3.21Å; H866-F884 PolarHBondContact O-N 2.78Å
867	V	94.3	Very high	91.8	Very high	29 Å²	29	61.7 Å²	61.7	18%	0.176	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.6	177	-178.8	0	0	0	0	109.8	Y857 L860 I881 A883	Y857-V867 HydrophobicContact CD1-CG2 3.85Å; Y857-V867 HydrophobicContact CE1-CB 3.87Å; Y857-V867 HydrophobicContact CE1-CG1 4.09Å; Y857-V867 HydrophobicContact CE1-CG2 3.62Å; Y857-V867 HydrophobicContact CG-CG2 4.48Å; L860-V867 HydrophobicContact CD1-CG2 3.66Å; V867-I881 HydrophobicContact CG1-CG2 3.75Å; V867-I881 HydrophobicContact CG2-CG2 4.26Å; V867-A883 HydrophobicContact CG2-CB 4.16Å
868	T	92.7	Very high	91.8	Very high	68 Å²	68	59.1 Å²	59.1	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-39.1	-178.6	58.5	0	0	0	0	113	R882 F884	T868-R882 PolarHBondContact N-O 3.35Å; T868-R882 PolarHBondContact OG1-O 2.75Å; T868-F884 HydrophobicContact CG2-CD2 3.37Å; T868-F884 HydrophobicContact CG2-CE2 3.41Å; T868-F884 VanDerWaalsContact CG2-CE2 3.41Å; T868-F884 HydrophobicContact CG2-CG 4.36Å; T868-F884 HydrophobicContact CG2-CZ 4.4Å
869	H	91.8	Very high	91.8	Very high	101 Å²	101	59.2 Å²	59.2	47%	0.468	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	138.5	-175.4	-170.4	69.3	0	0	0	109.5	A871 I881 R882	H869-A871 WeakPolarHBondContact NE2-CB 3.42Å; H869-I881 CarbonylContact O-C 3.3Å; H869-I881 WeakPolarHBondContact O-CA 3.45Å; H869-R882 HydrophobicContact CB-CB 4.22Å; H869-R882 PolarHBondContact N-O 3.36Å; H869-R882 PolarHBondContact O-N 3.37Å
870	D	92.3	Very high	91.7	Very high	58 Å²	58	59.9 Å²	59.9	31%	0.31	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	111.4	177.6	-179.8	-12.5	0	0	0	106.3	Y857 Y879	Y857-D870 WeakPolarHBondContact CE2-OD2 3.42Å; Y857-D870 WeakPolarHBondContact OH-CB 3.31Å; Y857-D870 PolarHBondContact OH-OD2 2.7Å; D870-Y879 WeakPolarHBondContact OD1-CD1 3.42Å
871	A	92.8	Very high	91.7	Very high	26 Å²	26	59.9 Å²	59.9	22%	0.215	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.1	-178.7	0	0	0	0	0	112.2	H869 V880	H869-A871 WeakPolarHBondContact NE2-CB 3.42Å; A871-V880 PolarHBondContact N-O 2.8Å; A871-V880 VanDerWaalsContact N-O 3.09Å; A871-V880 PolarHBondContact O-N 3.2Å
872	P	93	Very high	91.8	Very high	79 Å²	79	59.1 Å²	59.1	51%	0.513	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	141.5	170.9	29.6	-33.8	0	0	0	110.6	S874 Y879	P872-S874 PolarHBondContact O-N 3.1Å; P872-Y879 HydrophobicContact CB-CD1 4.27Å; P872-Y879 HydrophobicContact CB-CE1 3.94Å; P872-Y879 HydrophobicContact CB-CE2 4.25Å; P872-Y879 HydrophobicContact CG-CE1 4.4Å
873	I	89.7	Confident	92	Very high	19 Å²	19	50.6 Å²	50.6	10%	0.097	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-72.3	120	171.9	-58.2	-178.3	0	0	0	108.6	E236 G875 S876 L878 V880	E236-I873 VanDerWaalsContact O-CG2 3.26Å; E236-I873 WeakPolarHBondContact O-CG2 3.4Å; I873-G875 PolarHBondContact O-N 2.7Å; I873-G875 VanDerWaalsContact O-N 3.1Å; I873-S876 PolarHBondContact O-N 3.46Å; I873-S876 VanDerWaalsContact O-O 3.07Å; I873-L878 WeakPolarHBondContact CB-O 3.27Å; I873-L878 HydrophobicContact CD1-CB 3.89Å; I873-L878 HydrophobicContact CG1-CB 4.48Å; I873-L878 PolarHBondContact N-O 2.74Å; I873-V880 HydrophobicContact CD1-CG2 3.52Å; I873-V880 HydrophobicContact CG1-CB 4.38Å; I873-V880 HydrophobicContact CG1-CG2 3.43Å; I873-V880 VanDerWaalsContact CG1-CG2 3.43Å
874	S	87.7	Confident	92.2	Very high	62 Å²	62	50.5 Å²	50.5	43%	0.434	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	118.5	177.1	-59.5	0	0	0	0	111.5	K280 H283 P872 S876	K280-S874 WeakPolarHBondContact CD-O 3.37Å; K280-S874 VanDerWaalsContact CE-O 3.27Å; K280-S874 WeakPolarHBondContact CE-O 3.16Å; K280-S874 PolarHBondContact NZ-O 2.61Å; H283-S874 WeakPolarHBondContact NE2-CB 3.33Å; H283-S874 PolarHBondContact NE2-OG 2.81Å; H283-S874 VanDerWaalsContact NE2-OG 3.07Å; P872-S874 PolarHBondContact O-N 3.1Å; S874-S876 PolarHBondContact O-N 3.11Å
875	G	82	Confident	92.3	Very high	44 Å²	44	46.9 Å²	46.9	45%	0.454	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	14	177.7	0	0	0	0	0	116	L270 I873	L270-G875 WeakPolarHBondContact CD1-O 3.43Å; I873-G875 PolarHBondContact O-N 2.7Å; I873-G875 VanDerWaalsContact O-N 3.1Å
876	S	87.9	Confident	92.5	Very high	21 Å²	21	46.1 Å²	46.1	15%	0.147	26%	0.26	C	S	.	.	S	Bend	trans	-132	150	172.9	171.1	0	0	0	0	110	I873 S874 L878	I873-S876 PolarHBondContact O-N 3.46Å; I873-S876 VanDerWaalsContact O-O 3.07Å; S874-S876 PolarHBondContact O-N 3.11Å; S876-L878 PolarHBondContact O-N 3.17Å; S876-L878 PolarHBondContact OG-N 3.46Å
877	P	90.5	Very high	92.7	Very high	91 Å²	91	40 Å²	40	59%	0.591	23%	0.232	S	C	*	.	S	Bend	trans	-73.9	0.1	175.3	31.7	-37.2	0	0	0	113.9
878	L	92.9	Very high	92.6	Very high	39 Å²	39	40.3 Å²	40.3	20%	0.204	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	152.8	-177.9	-58.9	176.2	0	0	0	112	P849 I873 S876	P849-L878 HydrophobicContact CB-CD2 4.5Å; P849-L878 HydrophobicContact CG-CD2 3.87Å; I873-L878 WeakPolarHBondContact CB-O 3.27Å; I873-L878 HydrophobicContact CD1-CB 3.89Å; I873-L878 HydrophobicContact CG1-CB 4.48Å; I873-L878 PolarHBondContact N-O 2.74Å; S876-L878 PolarHBondContact O-N 3.17Å; S876-L878 PolarHBondContact OG-N 3.46Å
879	Y	94	Very high	92.7	Very high	77 Å²	77	39.1 Å²	39.1	30%	0.302	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.9	171.3	-79.5	-110.6	0	0	0	109.9	Q847 A848 A850 V853 D870 P872	Q847-Y879 WeakPolarHBondContact CA-O 3.46Å; A848-Y879 PolarHBondContact N-O 3.21Å; A848-Y879 PolarHBondContact O-N 2.91Å; A850-Y879 HydrophobicContact CB-CD2 3.97Å; A850-Y879 HydrophobicContact CB-CE2 3.62Å; V853-Y879 HydrophobicContact CG2-CD1 4.47Å; V853-Y879 HydrophobicContact CG2-CD2 4.47Å; V853-Y879 HydrophobicContact CG2-CG 4.08Å; D870-Y879 WeakPolarHBondContact OD1-CD1 3.42Å; P872-Y879 HydrophobicContact CB-CD1 4.27Å; P872-Y879 HydrophobicContact CB-CE1 3.94Å; P872-Y879 HydrophobicContact CB-CE2 4.25Å; P872-Y879 HydrophobicContact CG-CE1 4.4Å
880	V	94.1	Very high	92.8	Very high	18 Å²	18	34.3 Å²	34.3	11%	0.109	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.4	169.7	171	0	0	0	0	108.4	L239 E845 V846 Q847 A871 I873 R882	L239-V880 HydrophobicContact CD2-CG2 4.37Å; E845-V880 HydrophobicContact CG-CG1 3.68Å; V846-V880 WeakPolarHBondContact O-CA 3.21Å; Q847-V880 HydrophobicContact CG-CG2 4.33Å; A871-V880 PolarHBondContact N-O 2.8Å; A871-V880 VanDerWaalsContact N-O 3.09Å; A871-V880 PolarHBondContact O-N 3.2Å; I873-V880 HydrophobicContact CD1-CG2 3.52Å; I873-V880 HydrophobicContact CG1-CB 4.38Å; I873-V880 HydrophobicContact CG1-CG2 3.43Å; I873-V880 VanDerWaalsContact CG1-CG2 3.43Å; V880-R882 HydrophobicContact CG1-CG 4.26Å
881	I	95	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.3	178.2	-54.3	163.3	0	0	0	107.4	V846 V853 V856 V867 H869	V846-I881 HydrophobicContact CB-CB 4.27Å; V846-I881 PolarHBondContact N-O 3.07Å; V846-I881 PolarHBondContact O-N 3.39Å; V853-I881 HydrophobicContact CB-CD1 4.3Å; V853-I881 HydrophobicContact CG1-CD1 3.88Å; V853-I881 HydrophobicContact CG2-CD1 4.24Å; V856-I881 HydrophobicContact CB-CD1 3.84Å; V856-I881 HydrophobicContact CG1-CD1 3.85Å; V856-I881 HydrophobicContact CG1-CG2 4.48Å; V856-I881 HydrophobicContact CG2-CD1 3.87Å; V867-I881 HydrophobicContact CG1-CG2 3.75Å; V867-I881 HydrophobicContact CG2-CG2 4.26Å; H869-I881 CarbonylContact O-C 3.3Å; H869-I881 WeakPolarHBondContact O-CA 3.45Å
882	R	95.5	Very high	92.8	Very high	59 Å²	59	32.9 Å²	32.9	22%	0.223	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.2	174.9	-66.3	-178.5	172.5	175.4	-0.5	109.8	E243 L843 V844 E845 T868 H869 V880	E243-R882 IonicContact OE1-CZ 3.54Å; E243-R882 IonicContact OE1-NH1 3.47Å; E243-R882 PolarHBondContact OE1-NH1 3.09Å; E243-R882 IonicContact OE1-NH2 2.72Å; E243-R882 PolarHBondContact OE1-NH2 2.86Å; E243-R882 IonicContact OE2-NH1 3.69Å; E243-R882 IonicContact OE2-NH2 3.63Å; L843-R882 HydrophobicContact CD1-CB 4.33Å; V844-R882 CarbonylContact O-C 3.56Å; V844-R882 VanDerWaalsContact O-CA 3.3Å; V844-R882 WeakPolarHBondContact O-CA 3.38Å; E845-R882 HydrophobicContact CG-CG 4.29Å; E845-R882 IonicContact OE2-CZ 3.44Å; E845-R882 IonicContact OE2-NE 3.49Å; E845-R882 PolarHBondContact OE2-NE 3.43Å; E845-R882 IonicContact OE2-NH2 3.67Å; E845-R882 PolarHBondContact OE2-NH2 3.37Å; T868-R882 PolarHBondContact N-O 3.35Å; T868-R882 PolarHBondContact OG1-O 2.75Å; H869-R882 HydrophobicContact CB-CB 4.22Å; H869-R882 PolarHBondContact N-O 3.36Å; H869-R882 PolarHBondContact O-N 3.37Å; V880-R882 HydrophobicContact CG1-CG 4.26Å
883	A	96.3	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158	-179.4	0	0	0	0	0	111.8	V844 L860 H866 V867	V844-A883 HydrophobicContact CB-CB 4.5Å; V844-A883 PolarHBondContact N-O 3.02Å; V844-A883 PolarHBondContact O-N 3.16Å; L860-A883 HydrophobicContact CD1-CB 3.61Å; L860-A883 HydrophobicContact CD2-CB 3.92Å; L860-A883 HydrophobicContact CG-CB 4.44Å; H866-A883 CarbonylContact O-C 3.52Å; H866-A883 VanDerWaalsContact O-CA 3.23Å; H866-A883 WeakPolarHBondContact O-CA 3.26Å; H866-A883 WeakPolarHBondContact O-CB 3.3Å; V867-A883 HydrophobicContact CG2-CB 4.16Å
884	F	96.6	Very high	93	Very high	48 Å²	48	30 Å²	30	21%	0.211	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.2	168.9	-68.2	-58.3	0	0	0	110.2	Y841 Y842 L843 G865 H866 T868 N912 H913	Y841-F884 HydrophobicContact CD1-CB 4.09Å; Y842-F884 CarbonylContact O-C 3.58Å; Y842-F884 VanDerWaalsContact O-CA 3.31Å; Y842-F884 WeakPolarHBondContact O-CA 3.41Å; L843-F884 HydrophobicContact CB-CD1 4.22Å; L843-F884 HydrophobicContact CB-CE1 3.98Å; L843-F884 HydrophobicContact CD1-CD1 4.17Å; L843-F884 HydrophobicContact CD1-CE1 3.79Å; L843-F884 HydrophobicContact CD1-CZ 4.37Å; L843-F884 HydrophobicContact CG-CE1 4.41Å; G865-F884 CarbonylContact C-O 3.59Å; G865-F884 WeakPolarHBondContact CA-O 3.49Å; H866-F884 PolarHBondContact N-O 3.21Å; H866-F884 PolarHBondContact O-N 2.78Å; T868-F884 HydrophobicContact CG2-CD2 3.37Å; T868-F884 HydrophobicContact CG2-CE2 3.41Å; T868-F884 VanDerWaalsContact CG2-CE2 3.41Å; T868-F884 HydrophobicContact CG2-CG 4.36Å; T868-F884 HydrophobicContact CG2-CZ 4.4Å; F884-N912 HydrophobicContact CE1-CB 4.21Å; F884-H913 AromaticContact CD1-CE1 3.76Å; F884-H913 AromaticContact CE1-CE1 3.73Å; F884-H913 AromaticContact CE1-ND1 3.94Å; F884-H913 AromaticContact CZ-CE1 3.99Å
885	V	95.4	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.3	178.1	178.8	0	0	0	0	108.8	Y842 V844 L860 D889	Y842-V885 PolarHBondContact N-O 3.38Å; Y842-V885 PolarHBondContact O-N 2.79Å; V844-V885 HydrophobicContact CG2-CB 3.93Å; V844-V885 HydrophobicContact CG2-CG2 3.61Å; L860-V885 HydrophobicContact CD2-CG2 3.36Å; V885-D889 HydrophobicContact CG1-CB 4.47Å
886	P	95.7	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	137.3	171.7	-16.5	25.8	0	0	0	110.8	Y841 R864 I888 D889 S890	Y841-P886 HydrophobicContact CD1-CG 4.37Å; Y841-P886 HydrophobicContact CE1-CB 4.32Å; Y841-P886 HydrophobicContact CE1-CG 3.67Å; Y841-P886 HydrophobicContact CE2-CB 4.34Å; Y841-P886 HydrophobicContact CE2-CG 4.32Å; R864-P886 HydrophobicContact CB-CG 4.09Å; R864-P886 VanDerWaalsContact CZ-CG 3.43Å; R864-P886 VanDerWaalsContact NH2-CB 3.31Å; R864-P886 VanDerWaalsContact NH2-CG 3.29Å; P886-I888 HydrophobicContact CB-CG2 4.21Å; P886-I888 PolarHBondContact O-N 3Å; P886-D889 HydrophobicContact CB-CB 4.35Å; P886-D889 HydrophobicContact CG-CB 4.45Å; P886-D889 CarbonylContact O-C 3.56Å; P886-D889 PolarHBondContact O-N 2.9Å; P886-S890 PolarHBondContact O-N 2.98Å; P886-S890 VanDerWaalsContact O-N 3.08Å
887	V	95.4	Very high	94.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61.7	-35.7	-176	178	0	0	0	0	112	V597 V598 V670 P840 Y842 D889 S890	V597-V887 HydrophobicContact CG1-CB 4.4Å; V597-V887 HydrophobicContact CG1-CG1 4.21Å; V597-V887 HydrophobicContact CG1-CG2 4.14Å; V598-V887 HydrophobicContact CG2-CG1 3.99Å; V670-V887 HydrophobicContact CG1-CB 3.69Å; V670-V887 HydrophobicContact CG1-CG1 3.48Å; V670-V887 VanDerWaalsContact CG1-CG1 3.48Å; P840-V887 HydrophobicContact CB-CB 4.48Å; P840-V887 HydrophobicContact CB-CG2 3.89Å; P840-V887 HydrophobicContact CG-CB 4.03Å; P840-V887 HydrophobicContact CG-CG2 3.99Å; P840-V887 WeakPolarHBondContact O-CG2 3.44Å; P840-V887 PolarHBondContact O-N 3.4Å; Y842-V887 HydrophobicContact CD1-CG2 3.37Å; Y842-V887 HydrophobicContact CD2-CB 4.44Å; Y842-V887 HydrophobicContact CD2-CG1 4.34Å; Y842-V887 HydrophobicContact CD2-CG2 3.88Å; Y842-V887 HydrophobicContact CE1-CB 4.38Å; Y842-V887 HydrophobicContact CE1-CG1 4.14Å; Y842-V887 HydrophobicContact CE1-CG2 3.32Å; Y842-V887 HydrophobicContact CE2-CB 4.19Å; Y842-V887 HydrophobicContact CE2-CG1 3.62Å; Y842-V887 HydrophobicContact CE2-CG2 3.83Å; Y842-V887 HydrophobicContact CG-CG2 3.66Å; Y842-V887 VanDerWaalsContact CZ-CG1 3.49Å; Y842-V887 WeakPolarHBondContact OH-CG1 3.1Å; V887-D889 PolarHBondContact O-N 3.05Å; V887-S890 WeakPolarHBondContact O-CB 3.34Å; V887-S890 PolarHBondContact O-N 2.94Å; V887-S890 PolarHBondContact O-OG 3.31Å
888	I	93.6	Very high	94.2	Very high	36 Å²	36	31.8 Å²	31.8	19%	0.185	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-60.6	-35.1	176.8	-164.1	79.1	0	0	0	112	V670 P886 S890 F891 F943	V670-I888 HydrophobicContact CG1-CB 4.21Å; V670-I888 HydrophobicContact CG1-CD1 4.28Å; V670-I888 HydrophobicContact CG2-CB 4.42Å; V670-I888 HydrophobicContact CG2-CD1 4.25Å; P886-I888 HydrophobicContact CB-CG2 4.21Å; P886-I888 PolarHBondContact O-N 3Å; I888-S890 VanDerWaalsContact C-N 3.34Å; I888-F891 HydrophobicContact CD1-CE2 4.13Å; I888-F891 WeakPolarHBondContact O-CD2 3.41Å; I888-F943 HydrophobicContact CG1-CZ 4.49Å; I888-F943 HydrophobicContact CG2-CZ 4.11Å
889	D	93.4	Very high	94.3	Very high	43 Å²	43	34.9 Å²	34.9	23%	0.23	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-90.5	-0.4	178.9	-62.8	-37.1	0	0	0	112.3	R863 R864 V885 P886 V887	R863-D889 HydrophobicContact CB-CB 4.05Å; R863-D889 VanDerWaalsContact CD-O 3.26Å; R863-D889 WeakPolarHBondContact CD-O 3.2Å; R863-D889 WeakPolarHBondContact CG-O 3.27Å; R863-D889 PolarHBondContact NH1-O 2.81Å; R864-D889 IonicContact CZ-OD2 2.62Å; R864-D889 IonicContact NE-OD2 2.93Å; R864-D889 PolarHBondContact NE-OD2 3.04Å; R864-D889 IonicContact NH2-OD2 3.34Å; R864-D889 PolarHBondContact NH2-OD2 2.79Å; V885-D889 HydrophobicContact CG1-CB 4.47Å; P886-D889 HydrophobicContact CB-CB 4.35Å; P886-D889 HydrophobicContact CG-CB 4.45Å; P886-D889 CarbonylContact O-C 3.56Å; P886-D889 PolarHBondContact O-N 2.9Å; V887-D889 PolarHBondContact O-N 3.05Å
890	S	93.9	Very high	94.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-84.9	-13.4	178.3	77.8	0	0	0	0	113.3	Y842 P886 V887 I888 G892 F893	Y842-S890 WeakPolarHBondContact CD2-OG 3.46Å; Y842-S890 WeakPolarHBondContact CE2-OG 3.41Å; P886-S890 PolarHBondContact O-N 2.98Å; P886-S890 VanDerWaalsContact O-N 3.08Å; V887-S890 WeakPolarHBondContact O-CB 3.34Å; V887-S890 PolarHBondContact O-N 2.94Å; V887-S890 PolarHBondContact O-OG 3.31Å; I888-S890 VanDerWaalsContact C-N 3.34Å; S890-G892 PolarHBondContact O-N 2.75Å; S890-F893 WeakPolarHBondContact O-CB 3.42Å; S890-F893 PolarHBondContact O-N 2.89Å
891	F	93.7	Very high	94.2	Very high	33 Å²	33	35.2 Å²	35.2	15%	0.145	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	123.7	-176.4	-59.7	-51.7	0	0	0	111.7	V598 E644 P668 V670 R863 I888 F893	V598-F891 HydrophobicContact CB-CE1 4.48Å; V598-F891 HydrophobicContact CG1-CE1 3.62Å; V598-F891 HydrophobicContact CG1-CZ 3.87Å; V598-F891 HydrophobicContact CG2-CE1 4.03Å; V598-F891 HydrophobicContact CG2-CZ 4.48Å; E644-F891 HydrophobicContact CG-CD1 4.08Å; E644-F891 VanDerWaalsContact OE1-C 3.31Å; E644-F891 WeakPolarHBondContact OE1-CA 3.28Å; E644-F891 WeakPolarHBondContact OE1-CB 3.32Å; P668-F891 HydrophobicContact CB-CD1 4.13Å; P668-F891 HydrophobicContact CB-CE1 3.72Å; P668-F891 HydrophobicContact CB-CE2 4.1Å; P668-F891 HydrophobicContact CB-CZ 3.72Å; P668-F891 HydrophobicContact CG-CD1 3.89Å; P668-F891 HydrophobicContact CG-CD2 4.08Å; P668-F891 HydrophobicContact CG-CE1 4.02Å; P668-F891 HydrophobicContact CG-CE2 4.17Å; P668-F891 HydrophobicContact CG-CG 3.95Å; P668-F891 HydrophobicContact CG-CZ 4.16Å; P668-F891 WeakPolarHBondContact O-CE2 3.06Å; V670-F891 HydrophobicContact CG1-CE2 4.48Å; V670-F891 HydrophobicContact CG1-CZ 4.19Å; R863-F891 PolarHBondContact NH1-O 2.91Å; R863-F891 PolarHBondContact NH2-O 2.91Å; R863-F891 VanDerWaalsContact NH2-O 3.12Å; I888-F891 HydrophobicContact CD1-CE2 4.13Å; I888-F891 WeakPolarHBondContact O-CD2 3.41Å; F891-F893 VanDerWaalsContact C-N 3.25Å; F891-F893 PolarHBondContact O-N 2.68Å
892	G	92.3	Very high	94.1	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	6.3	-172.8	0	0	0	0	0	115.2	E644 S890 E894 T895 D896	E644-G892 PolarHBondContact OE1-N 2.88Å; E644-G892 PolarHBondContact OE2-N 3.02Å; S890-G892 PolarHBondContact O-N 2.75Å; G892-E894 PolarHBondContact O-N 2.83Å; G892-T895 PolarHBondContact O-N 3.13Å; G892-D896 PolarHBondContact O-N 3.1Å
893	F	93.8	Very high	93.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-43	-178.2	175.2	-97.2	0	0	0	112.7	V844 V859 L860 S890 F891 T895 D896 L897 C907 L909	V844-F893 HydrophobicContact CG1-CD1 4.43Å; V844-F893 HydrophobicContact CG1-CE1 3.59Å; V844-F893 HydrophobicContact CG1-CZ 4.18Å; V859-F893 HydrophobicContact CB-CE2 4.46Å; V859-F893 HydrophobicContact CG1-CD2 3.91Å; V859-F893 HydrophobicContact CG1-CE2 3.69Å; L860-F893 HydrophobicContact CD2-CE2 3.58Å; L860-F893 HydrophobicContact CD2-CZ 3.5Å; L860-F893 VanDerWaalsContact CD2-CZ 3.5Å; L860-F893 HydrophobicContact CG-CE2 4.02Å; L860-F893 HydrophobicContact CG-CZ 3.97Å; S890-F893 WeakPolarHBondContact O-CB 3.42Å; S890-F893 PolarHBondContact O-N 2.89Å; F891-F893 VanDerWaalsContact C-N 3.25Å; F891-F893 PolarHBondContact O-N 2.68Å; F893-T895 VanDerWaalsContact C-N 3.34Å; F893-T895 PolarHBondContact O-N 2.79Å; F893-D896 PolarHBondContact O-N 3.24Å; F893-L897 HydrophobicContact CE1-CD2 4.07Å; F893-L897 HydrophobicContact CZ-CD2 4.33Å; F893-L897 VanDerWaalsContact O-CB 3.23Å; F893-L897 WeakPolarHBondContact O-CB 3.32Å; F893-L897 PolarHBondContact O-N 2.86Å; F893-C907 HydrophobicContact CE1-CB 4.07Å; F893-L909 HydrophobicContact CD1-CD2 4.05Å; F893-L909 HydrophobicContact CE1-CD2 4.47Å
894	E	92.3	Very high	93.7	Very high	38 Å²	38	47.5 Å²	47.5	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.8	-178.6	-178.8	170.1	0	0	111.4	G892 L897 R898 C907	G892-E894 PolarHBondContact O-N 2.83Å; E894-L897 PolarHBondContact O-N 2.82Å; E894-R898 WeakPolarHBondContact O-CB 3.45Å; E894-R898 WeakPolarHBondContact O-CG 3.21Å; E894-R898 PolarHBondContact O-N 2.94Å; E894-R898 IonicContact OE1-CZ 2.57Å; E894-R898 IonicContact OE1-NE 3.1Å; E894-R898 IonicContact OE1-NH1 3.9Å; E894-R898 PolarHBondContact OE1-NH1 2.82Å; E894-R898 IonicContact OE1-NH2 3.8Å; E894-R898 PolarHBondContact OE1-NH2 2.82Å; E894-C907 VanDerWaalsContact CA-SG 3.59Å
895	T	93.3	Very high	93.5	Very high	89 Å²	89	45.2 Å²	45.2	55%	0.546	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-45.8	179.4	-56.2	0	0	0	0	111.5	G892 F893 R898 T899	G892-T895 PolarHBondContact O-N 3.13Å; F893-T895 VanDerWaalsContact C-N 3.34Å; F893-T895 PolarHBondContact O-N 2.79Å; T895-R898 PolarHBondContact O-N 2.79Å; T895-T899 WeakPolarHBondContact O-CB 3.32Å; T895-T899 PolarHBondContact O-N 2.93Å; T895-T899 PolarHBondContact O-OG1 3.09Å
896	D	94.2	Very high	93.4	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.4	-77	-7.2	0	0	0	111.2	V859 R863 G892 F893 R898 T899 H900	V859-D896 HydrophobicContact CG1-CB 4.23Å; R863-D896 IonicContact CZ-OD2 3.74Å; R863-D896 IonicContact NE-OD2 2.7Å; R863-D896 PolarHBondContact NE-OD2 3.17Å; R863-D896 IonicContact NH2-OD2 3.99Å; R863-D896 PolarHBondContact NH2-OD2 2.78Å; G892-D896 PolarHBondContact O-N 3.1Å; F893-D896 PolarHBondContact O-N 3.24Å; D896-R898 PolarHBondContact O-N 2.71Å; D896-T899 PolarHBondContact O-N 3.26Å; D896-H900 WeakPolarHBondContact O-CB 3.26Å; D896-H900 PolarHBondContact O-CD2 3.27Å; D896-H900 VanDerWaalsContact O-CD2 3.22Å; D896-H900 PolarHBondContact O-N 3.18Å
897	L	94.3	Very high	93.3	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-45.8	-178.9	-176.1	66.9	0	0	0	111.5	V846 V856 F893 E894 H900 S901 A905 C907	V846-L897 HydrophobicContact CG1-CD2 3.78Å; V846-L897 HydrophobicContact CG2-CD2 4.06Å; V856-L897 HydrophobicContact CB-CD1 4.26Å; V856-L897 HydrophobicContact CG1-CD1 4.25Å; V856-L897 HydrophobicContact CG2-CD1 4.01Å; F893-L897 HydrophobicContact CE1-CD2 4.07Å; F893-L897 HydrophobicContact CZ-CD2 4.33Å; F893-L897 VanDerWaalsContact O-CB 3.23Å; F893-L897 WeakPolarHBondContact O-CB 3.32Å; F893-L897 PolarHBondContact O-N 2.86Å; E894-L897 PolarHBondContact O-N 2.82Å; L897-H900 PolarHBondContact O-N 3.31Å; L897-S901 VanDerWaalsContact O-CB 3.31Å; L897-S901 WeakPolarHBondContact O-CB 3.38Å; L897-S901 PolarHBondContact O-N 3.35Å; L897-S901 PolarHBondContact O-OG 2.8Å; L897-A905 HydrophobicContact CD1-CB 4.37Å; L897-A905 HydrophobicContact CD2-CB 4.31Å; L897-A905 HydrophobicContact CG-CB 4.07Å; L897-C907 HydrophobicContact CD2-CB 3.66Å
898	R	93.2	Very high	93.2	Very high	106 Å²	106	47.5 Å²	47.5	40%	0.4	25%	0.254	S	S	.	.	H	α-helix	trans	-64.2	-40.6	175.6	-76.2	-178.4	171.8	173.4	8.2	111.6	E894 T895 D896 S901 Q902 G903	E894-R898 WeakPolarHBondContact O-CB 3.45Å; E894-R898 WeakPolarHBondContact O-CG 3.21Å; E894-R898 PolarHBondContact O-N 2.94Å; E894-R898 IonicContact OE1-CZ 2.57Å; E894-R898 IonicContact OE1-NE 3.1Å; E894-R898 IonicContact OE1-NH1 3.9Å; E894-R898 PolarHBondContact OE1-NH1 2.82Å; E894-R898 IonicContact OE1-NH2 3.8Å; E894-R898 PolarHBondContact OE1-NH2 2.82Å; T895-R898 PolarHBondContact O-N 2.79Å; D896-R898 PolarHBondContact O-N 2.71Å; R898-S901 CarbonylContact O-C 3.49Å; R898-S901 PolarHBondContact O-N 3.38Å; R898-S901 PolarHBondContact O-OG 3.37Å; R898-Q902 CarbonylContact O-C 3.43Å; R898-Q902 PolarHBondContact O-N 2.85Å; R898-G903 PolarHBondContact O-N 3.06Å
899	T	94.3	Very high	93.2	Very high	104 Å²	104	46.7 Å²	46.7	64%	0.638	25%	0.25	S	C	*	.	H	α-helix	trans	-63.7	-46.2	178.4	-56.8	0	0	0	0	111.1	T895 D896 S901 Q902	T895-T899 WeakPolarHBondContact O-CB 3.32Å; T895-T899 PolarHBondContact O-N 2.93Å; T895-T899 PolarHBondContact O-OG1 3.09Å; D896-T899 PolarHBondContact O-N 3.26Å; T899-S901 VanDerWaalsContact C-N 3.33Å; T899-S901 PolarHBondContact O-N 3.44Å; T899-Q902 PolarHBondContact O-N 3.1Å
900	H	93.4	Very high	93.2	Very high	97 Å²	97	44.8 Å²	44.8	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-68.7	-27.6	179.2	-82.9	-69.7	0	0	0	113.9	V859 D896 L897	V859-H900 HydrophobicContact CG2-CB 4.07Å; D896-H900 WeakPolarHBondContact O-CB 3.26Å; D896-H900 PolarHBondContact O-CD2 3.27Å; D896-H900 VanDerWaalsContact O-CD2 3.22Å; D896-H900 PolarHBondContact O-N 3.18Å; L897-H900 PolarHBondContact O-N 3.31Å
901	S	92.3	Very high	93.2	Very high	5 Å²	5	45.7 Å²	45.7	4%	0.035	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.3	179.6	63.9	0	0	0	0	114.2	L897 R898 T899 G903 Q904 A905	L897-S901 VanDerWaalsContact O-CB 3.31Å; L897-S901 WeakPolarHBondContact O-CB 3.38Å; L897-S901 PolarHBondContact O-N 3.35Å; L897-S901 PolarHBondContact O-OG 2.8Å; R898-S901 CarbonylContact O-C 3.49Å; R898-S901 PolarHBondContact O-N 3.38Å; R898-S901 PolarHBondContact O-OG 3.37Å; T899-S901 VanDerWaalsContact C-N 3.33Å; T899-S901 PolarHBondContact O-N 3.44Å; S901-G903 PolarHBondContact O-N 2.83Å; S901-Q904 WeakPolarHBondContact O-CB 3.48Å; S901-Q904 WeakPolarHBondContact O-CG 3.46Å; S901-Q904 PolarHBondContact O-N 2.97Å; S901-Q904 VanDerWaalsContact O-N 3.08Å; S901-A905 WeakPolarHBondContact OG-CB 3.03Å; S901-A905 PolarHBondContact OG-N 3.47Å; S901-A905 VanDerWaalsContact OG-N 3.09Å
902	Q	93	Very high	93.1	Very high	174 Å²	174	47.6 Å²	47.6	81%	0.813	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	33.5	-175	-55.4	-179.9	-5.6	0	0	113.6	R898 T899 Q904	R898-Q902 CarbonylContact O-C 3.43Å; R898-Q902 PolarHBondContact O-N 2.85Å; T899-Q902 PolarHBondContact O-N 3.1Å; Q902-Q904 VanDerWaalsContact C-N 3.3Å; Q902-Q904 PolarHBondContact O-N 3.31Å
903	G	91.2	Very high	93.1	Very high	52 Å²	52	48.4 Å²	48.4	54%	0.536	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	4.6	179.8	0	0	0	0	0	114.8	R898 S901	R898-G903 PolarHBondContact O-N 3.06Å; S901-G903 PolarHBondContact O-N 2.83Å
904	Q	92.4	Very high	93.1	Very high	91 Å²	91	50.2 Å²	50.2	43%	0.425	26%	0.26	S	S	.	.			trans	-80.3	-32.6	-178.8	-62.9	-172.8	2.5	0	0	113.5	P849 C852 S901 Q902	P849-Q904 HydrophobicContact CG-CB 4.11Å; C852-Q904 PolarHBondContact SG-OE1 3.04Å; C852-Q904 VanDerWaalsContact SG-OE1 3.33Å; S901-Q904 WeakPolarHBondContact O-CB 3.48Å; S901-Q904 WeakPolarHBondContact O-CG 3.46Å; S901-Q904 PolarHBondContact O-N 2.97Å; S901-Q904 VanDerWaalsContact O-N 3.08Å; Q902-Q904 VanDerWaalsContact C-N 3.3Å; Q902-Q904 PolarHBondContact O-N 3.31Å
905	A	93.1	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.			trans	-87.9	136.2	175	0	0	0	0	0	110.2	V846 Q847 A848 V856 L897 S901	V846-A905 HydrophobicContact CG1-CB 4.24Å; Q847-A905 WeakPolarHBondContact O-CA 3.37Å; A848-A905 HydrophobicContact CB-CB 3.9Å; V856-A905 HydrophobicContact CG2-CB 4.42Å; L897-A905 HydrophobicContact CD1-CB 4.37Å; L897-A905 HydrophobicContact CD2-CB 4.31Å; L897-A905 HydrophobicContact CG-CB 4.07Å; S901-A905 WeakPolarHBondContact OG-CB 3.03Å; S901-A905 PolarHBondContact OG-N 3.47Å; S901-A905 VanDerWaalsContact OG-N 3.09Å
906	F	92.3	Very high	93.2	Very high	44 Å²	44	53.1 Å²	53.1	19%	0.193	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137	176.8	179.1	-115.9	0	0	0	110	L141 V846 Q847 M908	L141-F906 HydrophobicContact CD2-CE1 3.75Å; L141-F906 HydrophobicContact CD2-CE2 4.4Å; L141-F906 HydrophobicContact CD2-CZ 3.39Å; V846-F906 CarbonylContact C-O 3.47Å; V846-F906 VanDerWaalsContact CA-O 3.3Å; V846-F906 WeakPolarHBondContact CA-O 3.27Å; Q847-F906 PolarHBondContact N-O 3.41Å; Q847-F906 PolarHBondContact O-N 3.06Å; F906-M908 HydrophobicContact CE1-CG 3.88Å; F906-M908 HydrophobicContact CE1-SD 3.4Å; F906-M908 WeakPolarHBondContact CE1-SD 3.42Å; F906-M908 HydrophobicContact CE2-SD 4.44Å; F906-M908 HydrophobicContact CZ-CG 4.31Å; F906-M908 HydrophobicContact CZ-SD 3.31Å; F906-M908 WeakPolarHBondContact CZ-SD 3.3Å
907	C	93.4	Very high	93.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148	179.5	65.4	0	0	0	0	112.4	V844 E845 V846 F893 E894 L897	V844-C907 HydrophobicContact CG1-CB 4.06Å; E845-C907 CarbonylContact O-C 3.55Å; E845-C907 VanDerWaalsContact O-CA 3.31Å; E845-C907 WeakPolarHBondContact O-CA 3.35Å; V846-C907 HydrophobicContact CG2-CB 3.9Å; F893-C907 HydrophobicContact CE1-CB 4.07Å; E894-C907 VanDerWaalsContact CA-SG 3.59Å; L897-C907 HydrophobicContact CD2-CB 3.66Å
908	M	93.4	Very high	93.2	Very high	3 Å²	3	53 Å²	53	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.2	166.9	-63.6	-60.5	-69.6	0	0	109.1	L141 H211 V212 L240 V844 E845 F906	L141-M908 HydrophobicContact CD2-SD 4.34Å; H211-M908 HydrophobicContact CB-CE 4.49Å; V212-M908 HydrophobicContact CB-CE 3.84Å; V212-M908 HydrophobicContact CG2-CB 4.47Å; V212-M908 HydrophobicContact CG2-CE 3.47Å; V212-M908 VanDerWaalsContact CG2-CE 3.47Å; V212-M908 VanDerWaalsContact N-CE 3.26Å; L240-M908 HydrophobicContact CD2-CB 4.33Å; V844-M908 WeakPolarHBondContact CA-O 3.47Å; E845-M908 PolarHBondContact N-O 3.31Å; E845-M908 PolarHBondContact O-N 2.95Å; F906-M908 HydrophobicContact CE1-CG 3.88Å; F906-M908 HydrophobicContact CE1-SD 3.4Å; F906-M908 WeakPolarHBondContact CE1-SD 3.42Å; F906-M908 HydrophobicContact CE2-SD 4.44Å; F906-M908 HydrophobicContact CZ-CG 4.31Å; F906-M908 HydrophobicContact CZ-SD 3.31Å; F906-M908 WeakPolarHBondContact CZ-SD 3.3Å
909	L	94	Very high	93.1	Very high	18 Å²	18	49 Å²	49	9%	0.094	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133	178.9	-58.6	173.8	0	0	0	109.4	Y842 V844 F893	Y842-L909 HydrophobicContact CD2-CB 3.84Å; Y842-L909 HydrophobicContact CD2-CD1 4.34Å; Y842-L909 HydrophobicContact CD2-CD2 4.49Å; Y842-L909 HydrophobicContact CD2-CG 4.45Å; Y842-L909 HydrophobicContact CE2-CB 4.36Å; Y842-L909 HydrophobicContact CG-CB 4.33Å; V844-L909 HydrophobicContact CB-CD2 3.98Å; V844-L909 HydrophobicContact CG1-CD2 3.75Å; V844-L909 HydrophobicContact CG2-CD2 3.35Å; F893-L909 HydrophobicContact CD1-CD2 4.05Å; F893-L909 HydrophobicContact CE1-CD2 4.47Å
910	V	93.5	Very high	93	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.4	175	71.8	0	0	0	0	112.7	V212 L240 R244 Y842 L843 N912	V212-V910 HydrophobicContact CG1-CB 3.57Å; V212-V910 HydrophobicContact CG1-CG2 3.33Å; L240-V910 HydrophobicContact CD1-CG1 4.14Å; L240-V910 HydrophobicContact CD2-CB 4.32Å; L240-V910 HydrophobicContact CD2-CG1 3.65Å; L240-V910 HydrophobicContact CG-CG1 4.27Å; R244-V910 VanDerWaalsContact CZ-CG2 3.42Å; Y842-V910 CarbonylContact C-O 3.53Å; Y842-V910 WeakPolarHBondContact CA-O 3.47Å; Y842-V910 WeakPolarHBondContact CD1-O 3.47Å; L843-V910 HydrophobicContact CB-CG1 3.91Å; L843-V910 HydrophobicContact CG-CG1 4.48Å; L843-V910 PolarHBondContact N-O 2.98Å; L843-V910 PolarHBondContact O-N 3.06Å; V910-N912 PolarHBondContact O-N 2.94Å
911	F	93.7	Very high	92.9	Very high	21 Å²	21	42 Å²	42	9%	0.092	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	128.5	170	-178	-108.2	0	0	0	111.8	V597 P840 Y842 H913 W914	V597-F911 HydrophobicContact CG2-CB 4.31Å; V597-F911 HydrophobicContact CG2-CD1 4.45Å; V597-F911 HydrophobicContact CG2-CD2 3.59Å; V597-F911 HydrophobicContact CG2-CE2 4.04Å; V597-F911 HydrophobicContact CG2-CG 3.82Å; P840-F911 HydrophobicContact CB-CD2 4.12Å; P840-F911 HydrophobicContact CB-CE2 3.71Å; Y842-F911 HydrophobicContact CD1-CB 4.23Å; Y842-F911 HydrophobicContact CE1-CB 4.03Å; F911-H913 WeakPolarHBondContact CE2-O 3.47Å; F911-W914 HydrophobicContact CE2-CD2 4.44Å; F911-W914 HydrophobicContact CE2-CZ2 4.38Å; F911-W914 AromaticContact CZ-CD1 3.69Å; F911-W914 HydrophobicContact CZ-CD2 4.28Å; F911-W914 AromaticContact CZ-CE2 3.69Å; F911-W914 HydrophobicContact CZ-CG 4.28Å; F911-W914 HydrophobicContact CZ-CZ2 4.19Å; F911-W914 AromaticContact CZ-NE1 3.34Å; F911-W914 VanDerWaalsContact CZ-NE1 3.34Å
912	N	91.5	Very high	92.8	Very high	73 Å²	73	44.7 Å²	44.7	39%	0.39	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-57.5	-178.7	-172.4	-92.2	0	0	0	112.4	Y841 L843 F884 V910	Y841-N912 PolarHBondContact O-N 3.39Å; Y841-N912 VanDerWaalsContact O-N 3.15Å; L843-N912 HydrophobicContact CB-CB 3.84Å; F884-N912 HydrophobicContact CE1-CB 4.21Å; V910-N912 PolarHBondContact O-N 2.94Å
913	H	92.2	Very high	92.6	Very high	36 Å²	36	39 Å²	39	17%	0.167	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	175.4	-176.1	65.4	-86.1	0	0	0	112.5	Y841 F884 F911	Y841-H913 PolarHBondContact N-O 3.38Å; F884-H913 AromaticContact CD1-CE1 3.76Å; F884-H913 AromaticContact CE1-CE1 3.73Å; F884-H913 AromaticContact CE1-ND1 3.94Å; F884-H913 AromaticContact CZ-CE1 3.99Å; F911-H913 WeakPolarHBondContact CE2-O 3.47Å
914	W	93.8	Very high	92.4	Very high	39 Å²	39	43.9 Å²	43.9	15%	0.148	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.8	174.3	-62.1	91	0	0	0	109.7	A671 C673 R795 M838 P840 F911	A671-W914 VanDerWaalsContact O-CH2 3.27Å; A671-W914 WeakPolarHBondContact O-CH2 3.4Å; A671-W914 WeakPolarHBondContact O-CZ3 3.36Å; C673-W914 HydrophobicContact CB-CD2 4.45Å; C673-W914 HydrophobicContact CB-CE3 4.09Å; C673-W914 HydrophobicContact CB-CZ3 4.22Å; C673-W914 VanDerWaalsContact SG-CH2 3.56Å; R795-W914 VanDerWaalsContact NE-CD1 3.3Å; M838-W914 HydrophobicContact CB-CB 4.34Å; M838-W914 HydrophobicContact CB-CE3 4.46Å; M838-W914 HydrophobicContact SD-CB 4.26Å; P840-W914 HydrophobicContact CB-CD2 4.4Å; P840-W914 HydrophobicContact CB-CE3 3.84Å; P840-W914 HydrophobicContact CB-CH2 3.99Å; P840-W914 HydrophobicContact CB-CZ3 3.63Å; P840-W914 HydrophobicContact CG-CE3 4.35Å; P840-W914 HydrophobicContact CG-CH2 4.21Å; P840-W914 HydrophobicContact CG-CZ3 3.76Å; F911-W914 HydrophobicContact CE2-CD2 4.44Å; F911-W914 HydrophobicContact CE2-CZ2 4.38Å; F911-W914 AromaticContact CZ-CD1 3.69Å; F911-W914 HydrophobicContact CZ-CD2 4.28Å; F911-W914 AromaticContact CZ-CE2 3.69Å; F911-W914 HydrophobicContact CZ-CG 4.28Å; F911-W914 HydrophobicContact CZ-CZ2 4.19Å; F911-W914 AromaticContact CZ-NE1 3.34Å; F911-W914 VanDerWaalsContact CZ-NE1 3.34Å
915	Q	93.8	Very high	92.3	Very high	88 Å²	88	44.2 Å²	44.2	41%	0.411	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.4	177.1	-177.7	174.8	-7.5	0	0	110	M838 E839 Y841 V917	M838-Q915 CarbonylContact C-O 3.5Å; M838-Q915 WeakPolarHBondContact CA-O 3.26Å; E839-Q915 PolarHBondContact N-O 2.91Å; E839-Q915 PolarHBondContact O-N 3.22Å; Y841-Q915 HydrophobicContact CD2-CB 3.66Å; Y841-Q915 HydrophobicContact CE2-CB 3.55Å; Y841-Q915 HydrophobicContact CE2-CG 4.14Å; Q915-V917 PolarHBondContact O-N 3.48Å
916	M	94.3	Very high	92.1	Very high	99 Å²	99	45.2 Å²	45.2	49%	0.488	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.9	177.6	-65.5	177.3	-72.9	0	0	110.8	T675 V677 L837 M838	T675-M916 HydrophobicContact CG2-CG 4.08Å; V677-M916 HydrophobicContact CG2-SD 3.77Å; L837-M916 WeakPolarHBondContact O-CA 3.46Å; M838-M916 HydrophobicContact CG-CG 4.27Å
917	V	94.8	Very high	91.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-68.4	132	171.9	-175.1	0	0	0	0	108.1	L837 E839 Q915 L939 A940 F943	L837-V917 HydrophobicContact CB-CB 4.39Å; L837-V917 HydrophobicContact CB-CG2 4.03Å; L837-V917 PolarHBondContact O-N 3Å; E839-V917 HydrophobicContact CB-CG2 3.66Å; E839-V917 HydrophobicContact CG-CG2 3.84Å; Q915-V917 PolarHBondContact O-N 3.48Å; V917-L939 HydrophobicContact CG1-CB 3.78Å; V917-A940 HydrophobicContact CB-CB 4.2Å; V917-A940 HydrophobicContact CG1-CB 3.95Å; V917-F943 HydrophobicContact CG1-CD2 3.89Å; V917-F943 HydrophobicContact CG1-CE2 4.03Å; V917-F943 HydrophobicContact CG2-CD2 4.24Å
918	P	93.2	Very high	91.5	Very high	55 Å²	55	53.5 Å²	53.5	36%	0.357	27%	0.274	S	S	.	.	S	Bend	trans	-63.4	139.2	173.6	-17.1	29.9	0	0	0	111.1	A936 A940	P918-A936 CarbonylContact C-O 3.51Å; P918-A936 WeakPolarHBondContact CB-O 3.42Å; P918-A936 VanDerWaalsContact O-O 3.05Å; P918-A940 PolarHBondContact O-N 3.02Å
919	G	91.1	Very high	91.2	Very high	22 Å²	22	59 Å²	59	23%	0.227	30%	0.3	C	S	.	.	S	Bend	trans	103.7	174.5	-177.4	0	0	0	0	0	114.4	R836 T937 A940	R836-G919 PolarHBondContact NH1-O 3.21Å; G919-T937 WeakPolarHBondContact CA-O 3.37Å; G919-A940 WeakPolarHBondContact O-CB 3.11Å
920	D	92.2	Very high	90.9	Very high	55 Å²	55	63.1 Å²	63.1	29%	0.294	33%	0.327	S	S	.	.			trans	-109	121.8	179.2	-166.8	-26.9	0	0	0	110.8	R836 L922 D923	R836-D920 VanDerWaalsContact NH1-CB 3.29Å; R836-D920 IonicContact NH1-OD2 3.78Å; R836-D920 IonicContact NH2-OD2 3.73Å; D920-L922 VanDerWaalsContact C-N 3.27Å; D920-L922 PolarHBondContact O-N 3.44Å; D920-L922 PolarHBondContact OD1-N 2.7Å; D920-D923 HydrophobicContact CB-CB 3.98Å
921	P	92.1	Very high	90.4	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27	177.7	27.9	-34.5	0	0	0	113.2	L789 P835 L837 R941 M944	L789-P921 HydrophobicContact CD1-CG 4.19Å; P835-P921 WeakPolarHBondContact O-CG 3.41Å; L837-P921 HydrophobicContact CD1-CB 4.44Å; L837-P921 HydrophobicContact CG-CB 4.3Å; P921-R941 WeakPolarHBondContact O-CD 3.3Å; P921-R941 PolarHBondContact O-NH1 3.01Å; P921-R941 VanDerWaalsContact O-NH1 3.12Å; P921-M944 HydrophobicContact CB-CB 4.03Å; P921-M944 HydrophobicContact CB-CG 4.2Å; P921-M944 HydrophobicContact CB-SD 3.82Å; P921-M944 WeakPolarHBondContact O-CE 3.3Å
922	L	89.7	Confident	90.2	Very high	60 Å²	60	70.1 Å²	70.1	31%	0.314	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0	-175.6	-62.9	-175.9	0	0	0	113.9	L789 P835 D920 R924 M944 V957	L789-L922 HydrophobicContact CD2-CD2 3.92Å; L789-L922 HydrophobicContact CD2-CG 4.47Å; P835-L922 HydrophobicContact CG-CD1 3.46Å; P835-L922 VanDerWaalsContact CG-CD1 3.46Å; P835-L922 HydrophobicContact CG-CG 4.17Å; D920-L922 VanDerWaalsContact C-N 3.27Å; D920-L922 PolarHBondContact O-N 3.44Å; D920-L922 PolarHBondContact OD1-N 2.7Å; L922-R924 PolarHBondContact O-N 3.26Å; L922-R924 VanDerWaalsContact O-N 3.11Å; L922-M944 HydrophobicContact CD2-SD 4.3Å; L922-V957 HydrophobicContact CD2-CB 4.3Å; L922-V957 HydrophobicContact CD2-CG2 4.32Å
923	D	89.1	Confident	90	Very high	54 Å²	54	71.9 Å²	71.9	29%	0.289	38%	0.383	S	S	.	.			trans	-74.9	103	-179.3	-173.6	-0	0	0	0	111.9	D920 S925 I926 R941	D920-D923 HydrophobicContact CB-CB 3.98Å; D923-S925 VanDerWaalsContact C-N 3.29Å; D923-S925 VanDerWaalsContact CG-OG 3.25Å; D923-S925 PolarHBondContact O-N 3.49Å; D923-S925 WeakPolarHBondContact OD1-CB 3.23Å; D923-S925 PolarHBondContact OD1-N 3.16Å; D923-S925 PolarHBondContact OD1-OG 3.16Å; D923-S925 PolarHBondContact OD2-OG 3.44Å; D923-I926 HydrophobicContact CB-CD1 4.06Å; D923-I926 WeakPolarHBondContact OD2-CD1 3.36Å; D923-R941 WeakPolarHBondContact O-CD 3.32Å; D923-R941 PolarHBondContact O-NE 3.26Å
924	R	87.6	Confident	89.9	Confident	156 Å²	156	71.5 Å²	71.5	59%	0.589	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.3	177.4	-62.4	-175.6	-177.3	174.1	1.8	113.8	L922 I926 D956	L922-R924 PolarHBondContact O-N 3.26Å; L922-R924 VanDerWaalsContact O-N 3.11Å; R924-I926 PolarHBondContact O-N 2.93Å; R924-D956 IonicContact NE-OD1 3.34Å; R924-D956 IonicContact NE-OD2 2.8Å
925	S	89.6	Confident	89.7	Confident	97 Å²	97	73.4 Å²	73.4	68%	0.678	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.2	177.4	75.6	0	0	0	0	112.3	D923	D923-S925 VanDerWaalsContact C-N 3.29Å; D923-S925 VanDerWaalsContact CG-OG 3.25Å; D923-S925 PolarHBondContact O-N 3.49Å; D923-S925 WeakPolarHBondContact OD1-CB 3.23Å; D923-S925 PolarHBondContact OD1-N 3.16Å; D923-S925 PolarHBondContact OD1-OG 3.16Å; D923-S925 PolarHBondContact OD2-OG 3.44Å
926	I	88.6	Confident	89.4	Confident	22 Å²	22	71.6 Å²	71.6	11%	0.113	40%	0.399	C	S	.	.			trans	-87.1	113.4	-179.5	-59	168	0	0	0	109.8	D923 R924 I928 H938 R941	D923-I926 HydrophobicContact CB-CD1 4.06Å; D923-I926 WeakPolarHBondContact OD2-CD1 3.36Å; R924-I926 PolarHBondContact O-N 2.93Å; I926-I928 HydrophobicContact CG2-CD1 3.73Å; I926-H938 HydrophobicContact CD1-CB 4.34Å; I926-H938 VanDerWaalsContact CD1-CD2 3.48Å; I926-H938 WeakPolarHBondContact CD1-CD2 3.37Å; I926-H938 HydrophobicContact CG2-CB 3.86Å; I926-R941 HydrophobicContact CB-CG 4.37Å; I926-R941 HydrophobicContact CG2-CG 4.48Å
927	Q	85.9	Confident	89.2	Confident	177 Å²	177	71.1 Å²	71.1	83%	0.827	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-89	123.8	170	-66.6	-177.7	-6.7	0	0	110.3
928	I	88	Confident	89.1	Confident	41 Å²	41	73.8 Å²	73.8	21%	0.21	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-90.8	121.7	-179.3	-54	-61.3	0	0	0	109.3	I926 Q934 R941 E942	I926-I928 HydrophobicContact CG2-CD1 3.73Å; I928-Q934 HydrophobicContact CD1-CG 4.18Å; I928-Q934 HydrophobicContact CG2-CG 4.21Å; I928-R941 HydrophobicContact CD1-CB 4.31Å; I928-R941 HydrophobicContact CD1-CG 4.08Å; I928-R941 HydrophobicContact CG1-CG 4.17Å; I928-E942 HydrophobicContact CD1-CB 4.08Å; I928-E942 HydrophobicContact CG2-CB 4.37Å; I928-E942 HydrophobicContact CG2-CG 4.1Å
929	Q	87.1	Confident	89.1	Confident	120 Å²	120	71.9 Å²	71.9	56%	0.561	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-79.3	134.5	172.9	-67.8	-178.9	-5.7	0	0	110	V932	Q929-V932 HydrophobicContact CB-CB 4.34Å; Q929-V932 HydrophobicContact CB-CG2 4.41Å
930	P	86.1	Confident	89.2	Confident	103 Å²	103	70.8 Å²	70.8	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	146.2	172.7	27.9	-32.9	0	0	0	110.1	V932	P930-V932 PolarHBondContact O-N 3.14Å
931	L	84.7	Confident	89.2	Confident	105 Å²	105	68.7 Å²	68.7	55%	0.55	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	2.8	173.1	-54	168.6	0	0	0	117.3	E8 F9	E8-L931 WeakPolarHBondContact OE1-CD1 3.29Å; E8-L931 WeakPolarHBondContact OE2-CD1 3.39Å; F9-L931 HydrophobicContact CE2-CD2 4.2Å; F9-L931 HydrophobicContact CZ-CD2 4Å
932	V	88.9	Confident	89.3	Confident	66 Å²	66	69.3 Å²	69.3	40%	0.4	38%	0.38	S	S	.	.	S	Bend	trans	-106.7	123.8	173.8	-178.2	0	0	0	0	109.8	Q929 P930 Q934	Q929-V932 HydrophobicContact CB-CB 4.34Å; Q929-V932 HydrophobicContact CB-CG2 4.41Å; P930-V932 PolarHBondContact O-N 3.14Å; V932-Q934 PolarHBondContact O-N 3.2Å; V932-Q934 PolarHBondContact O-NE2 3.23Å
933	P	86.8	Confident	89.5	Confident	111 Å²	111	67.5 Å²	67.5	72%	0.721	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-58.5	127	172.4	-22.7	32.8	0	0	0	110.9
934	Q	89.8	Confident	89.7	Confident	28 Å²	28	65 Å²	65	13%	0.131	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-82.4	153.3	-177.4	-59.4	-61.6	-51.7	0	0	112	I928 V932 H938 L939 E942	I928-Q934 HydrophobicContact CD1-CG 4.18Å; I928-Q934 HydrophobicContact CG2-CG 4.21Å; V932-Q934 PolarHBondContact O-N 3.2Å; V932-Q934 PolarHBondContact O-NE2 3.23Å; Q934-H938 HydrophobicContact CB-CB 4.26Å; Q934-L939 HydrophobicContact CB-CD2 4.47Å; Q934-E942 WeakPolarHBondContact CB-OE2 3.48Å; Q934-E942 HydrophobicContact CG-CB 4.13Å; Q934-E942 HydrophobicContact CG-CG 4.16Å; Q934-E942 VanDerWaalsContact CG-OE2 3.22Å; Q934-E942 WeakPolarHBondContact CG-OE2 3.38Å
935	P	90.1	Very high	89.9	Confident	78 Å²	78	57.7 Å²	57.7	51%	0.506	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.2	155.6	170	-20.8	32.7	0	0	0	111.9	T937 H938 L939	P935-T937 PolarHBondContact O-N 2.85Å; P935-H938 PolarHBondContact O-N 3.42Å; P935-L939 PolarHBondContact O-N 2.91Å
936	A	88.8	Confident	90	Very high	51 Å²	51	57.2 Å²	57.2	42%	0.421	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-49.9	-39.6	-176.7	0	0	0	0	0	114	P918 H938 L939	P918-A936 CarbonylContact C-O 3.51Å; P918-A936 WeakPolarHBondContact CB-O 3.42Å; P918-A936 VanDerWaalsContact O-O 3.05Å; A936-H938 PolarHBondContact O-N 2.84Å; A936-L939 HydrophobicContact CB-CD1 4.41Å; A936-L939 PolarHBondContact O-N 3.39Å
937	T	89.5	Confident	90.1	Very high	88 Å²	88	57 Å²	57	54%	0.54	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.7	-178.2	49.6	0	0	0	0	114.4	G919 P935	G919-T937 WeakPolarHBondContact CA-O 3.37Å; P935-T937 PolarHBondContact O-N 2.85Å
938	H	92.3	Very high	90.4	Very high	61 Å²	61	49.6 Å²	49.6	28%	0.282	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-110.5	-2.3	-175	-58.7	172	0	0	0	112.5	I926 Q934 P935 A936 A940 R941 E942	I926-H938 HydrophobicContact CD1-CB 4.34Å; I926-H938 VanDerWaalsContact CD1-CD2 3.48Å; I926-H938 WeakPolarHBondContact CD1-CD2 3.37Å; I926-H938 HydrophobicContact CG2-CB 3.86Å; Q934-H938 HydrophobicContact CB-CB 4.26Å; P935-H938 PolarHBondContact O-N 3.42Å; A936-H938 PolarHBondContact O-N 2.84Å; H938-A940 VanDerWaalsContact C-N 3.34Å; H938-A940 PolarHBondContact O-N 3.37Å; H938-R941 PolarHBondContact O-N 2.62Å; H938-R941 VanDerWaalsContact O-N 3.17Å; H938-E942 PolarHBondContact O-N 2.96Å; H938-E942 VanDerWaalsContact O-N 3.1Å
939	L	92.7	Very high	90.5	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-40.4	-174.7	-71.9	177.1	0	0	0	112.7	V917 Q934 P935 A936 R941 E942 F943	V917-L939 HydrophobicContact CG1-CB 3.78Å; Q934-L939 HydrophobicContact CB-CD2 4.47Å; P935-L939 PolarHBondContact O-N 2.91Å; A936-L939 HydrophobicContact CB-CD1 4.41Å; A936-L939 PolarHBondContact O-N 3.39Å; L939-R941 VanDerWaalsContact C-N 3.28Å; L939-R941 PolarHBondContact O-N 3.4Å; L939-E942 PolarHBondContact O-N 2.99Å; L939-F943 HydrophobicContact CB-CD2 4.49Å; L939-F943 HydrophobicContact CB-CE2 4.13Å; L939-F943 HydrophobicContact CB-CZ 4.42Å; L939-F943 HydrophobicContact CD2-CE1 4.5Å; L939-F943 HydrophobicContact CD2-CZ 4.13Å; L939-F943 WeakPolarHBondContact O-CB 3.41Å; L939-F943 WeakPolarHBondContact O-CD2 3.31Å; L939-F943 VanDerWaalsContact O-CG 3.31Å; L939-F943 WeakPolarHBondContact O-CG 3.5Å; L939-F943 PolarHBondContact O-N 3.2Å
940	A	93.6	Very high	90.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-40.5	178.8	0	0	0	0	0	112.2	V917 P918 G919 H938 M944	V917-A940 HydrophobicContact CB-CB 4.2Å; V917-A940 HydrophobicContact CG1-CB 3.95Å; P918-A940 PolarHBondContact O-N 3.02Å; G919-A940 WeakPolarHBondContact O-CB 3.11Å; H938-A940 VanDerWaalsContact C-N 3.34Å; H938-A940 PolarHBondContact O-N 3.37Å; A940-M944 WeakPolarHBondContact O-CB 3.46Å; A940-M944 PolarHBondContact O-N 3.39Å
941	R	93.4	Very high	90.5	Very high	11 Å²	11	48.1 Å²	48.1	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-44.1	176.9	-177.8	63.5	-178.8	177.9	4.1	111.4	P921 D923 I926 I928 H938 L939 M944 V945 D956	P921-R941 WeakPolarHBondContact O-CD 3.3Å; P921-R941 PolarHBondContact O-NH1 3.01Å; P921-R941 VanDerWaalsContact O-NH1 3.12Å; D923-R941 WeakPolarHBondContact O-CD 3.32Å; D923-R941 PolarHBondContact O-NE 3.26Å; I926-R941 HydrophobicContact CB-CG 4.37Å; I926-R941 HydrophobicContact CG2-CG 4.48Å; I928-R941 HydrophobicContact CD1-CB 4.31Å; I928-R941 HydrophobicContact CD1-CG 4.08Å; I928-R941 HydrophobicContact CG1-CG 4.17Å; H938-R941 PolarHBondContact O-N 2.62Å; H938-R941 VanDerWaalsContact O-N 3.17Å; L939-R941 VanDerWaalsContact C-N 3.28Å; L939-R941 PolarHBondContact O-N 3.4Å; R941-M944 PolarHBondContact O-N 3.38Å; R941-V945 WeakPolarHBondContact O-CB 3.38Å; R941-V945 WeakPolarHBondContact O-CG2 3.39Å; R941-V945 PolarHBondContact O-N 2.88Å; R941-D956 IonicContact CZ-OD1 3.91Å; R941-D956 VanDerWaalsContact CZ-OD1 3.29Å; R941-D956 IonicContact NH1-OD1 2.66Å; R941-D956 PolarHBondContact NH1-OD1 3.17Å; R941-D956 IonicContact NH2-OD1 3.69Å; R941-D956 PolarHBondContact NH2-OD1 3.08Å; R941-D956 IonicContact NH2-OD2 2.76Å
942	E	93	Very high	90.5	Very high	13 Å²	13	46 Å²	46	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-52.7	175.8	-178.1	-176.1	-178.7	0	0	111.5	I928 Q934 H938 L939 M944 V945 K946	I928-E942 HydrophobicContact CD1-CB 4.08Å; I928-E942 HydrophobicContact CG2-CB 4.37Å; I928-E942 HydrophobicContact CG2-CG 4.1Å; Q934-E942 WeakPolarHBondContact CB-OE2 3.48Å; Q934-E942 HydrophobicContact CG-CB 4.13Å; Q934-E942 HydrophobicContact CG-CG 4.16Å; Q934-E942 VanDerWaalsContact CG-OE2 3.22Å; Q934-E942 WeakPolarHBondContact CG-OE2 3.38Å; H938-E942 PolarHBondContact O-N 2.96Å; H938-E942 VanDerWaalsContact O-N 3.1Å; L939-E942 PolarHBondContact O-N 2.99Å; E942-M944 VanDerWaalsContact C-N 3.34Å; E942-M944 PolarHBondContact O-N 3.29Å; E942-V945 PolarHBondContact O-N 3.21Å; E942-K946 HydrophobicContact CG-CD 3.92Å; E942-K946 HydrophobicContact CG-CG 4.47Å; E942-K946 WeakPolarHBondContact O-CB 3.39Å; E942-K946 WeakPolarHBondContact O-CG 3.39Å; E942-K946 PolarHBondContact O-N 3.01Å; E942-K946 WeakPolarHBondContact OE1-CE 3.46Å; E942-K946 IonicContact OE1-NZ 2.82Å; E942-K946 PolarHBondContact OE1-NZ 3.15Å
943	F	93.4	Very high	90.4	Very high	22 Å²	22	44.1 Å²	44.1	10%	0.096	24%	0.243	C	C	.	.	H	α-helix	trans	-65.1	-38.2	-177.8	-65.2	-21.8	0	0	0	111.9	F672 L837 I888 V917 L939 T947	F672-F943 HydrophobicContact CE1-CB 4.15Å; F672-F943 AromaticContact CE1-CD2 3.62Å; F672-F943 HydrophobicContact CE1-CD2 3.62Å; F672-F943 HydrophobicContact CE1-CE2 4.18Å; F672-F943 AromaticContact CE1-CG 3.96Å; F672-F943 HydrophobicContact CE1-CG 3.96Å; F672-F943 HydrophobicContact CE2-CB 4.13Å; F672-F943 HydrophobicContact CE2-CG 4.46Å; F672-F943 HydrophobicContact CZ-CB 3.74Å; F672-F943 HydrophobicContact CZ-CD1 4.14Å; F672-F943 AromaticContact CZ-CD2 3.78Å; F672-F943 HydrophobicContact CZ-CD2 3.78Å; F672-F943 HydrophobicContact CZ-CE2 4.41Å; F672-F943 AromaticContact CZ-CG 3.63Å; F672-F943 HydrophobicContact CZ-CG 3.63Å; L837-F943 HydrophobicContact CD1-CB 4.22Å; I888-F943 HydrophobicContact CG1-CZ 4.49Å; I888-F943 HydrophobicContact CG2-CZ 4.11Å; V917-F943 HydrophobicContact CG1-CD2 3.89Å; V917-F943 HydrophobicContact CG1-CE2 4.03Å; V917-F943 HydrophobicContact CG2-CD2 4.24Å; L939-F943 HydrophobicContact CB-CD2 4.49Å; L939-F943 HydrophobicContact CB-CE2 4.13Å; L939-F943 HydrophobicContact CB-CZ 4.42Å; L939-F943 HydrophobicContact CD2-CE1 4.5Å; L939-F943 HydrophobicContact CD2-CZ 4.13Å; L939-F943 WeakPolarHBondContact O-CB 3.41Å; L939-F943 WeakPolarHBondContact O-CD2 3.31Å; L939-F943 VanDerWaalsContact O-CG 3.31Å; L939-F943 WeakPolarHBondContact O-CG 3.5Å; L939-F943 PolarHBondContact O-N 3.2Å; F943-T947 WeakPolarHBondContact O-CB 3.27Å; F943-T947 PolarHBondContact O-N 2.55Å; F943-T947 PolarHBondContact O-OG1 2.97Å
944	M	93.6	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-54.3	176	-167.4	-158.3	66.7	0	0	111	C790 L837 P921 L922 A940 R941 E942 K946 T947 R948 V957	C790-M944 WeakPolarHBondContact SG-CG 3.32Å; L837-M944 HydrophobicContact CD1-CB 3.89Å; P921-M944 HydrophobicContact CB-CB 4.03Å; P921-M944 HydrophobicContact CB-CG 4.2Å; P921-M944 HydrophobicContact CB-SD 3.82Å; P921-M944 WeakPolarHBondContact O-CE 3.3Å; L922-M944 HydrophobicContact CD2-SD 4.3Å; A940-M944 WeakPolarHBondContact O-CB 3.46Å; A940-M944 PolarHBondContact O-N 3.39Å; R941-M944 PolarHBondContact O-N 3.38Å; E942-M944 VanDerWaalsContact C-N 3.34Å; E942-M944 PolarHBondContact O-N 3.29Å; M944-K946 PolarHBondContact O-N 3.41Å; M944-T947 PolarHBondContact O-N 3.29Å; M944-R948 HydrophobicContact CG-CG 4.47Å; M944-R948 WeakPolarHBondContact O-CB 3.4Å; M944-R948 VanDerWaalsContact O-CG 3.26Å; M944-R948 WeakPolarHBondContact O-CG 3.17Å; M944-R948 PolarHBondContact O-N 3.14Å; M944-V957 HydrophobicContact SD-CG2 4.38Å
945	V	92.4	Very high	90.1	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47.3	-177.1	167.6	0	0	0	0	111.2	R941 E942 T947 R948 R949 E955	R941-V945 WeakPolarHBondContact O-CB 3.38Å; R941-V945 WeakPolarHBondContact O-CG2 3.39Å; R941-V945 PolarHBondContact O-N 2.88Å; E942-V945 PolarHBondContact O-N 3.21Å; V945-T947 PolarHBondContact O-N 3.14Å; V945-R948 PolarHBondContact O-N 3.28Å; V945-R949 WeakPolarHBondContact O-CG 3.39Å; V945-R949 PolarHBondContact O-N 3.02Å; V945-E955 HydrophobicContact CG1-CG 3.88Å; V945-E955 WeakPolarHBondContact CG1-OE1 3.41Å; V945-E955 HydrophobicContact CG2-CG 4.14Å
946	K	91.2	Very high	89.8	Confident	88 Å²	88	46 Å²	46	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-40.3	179.5	-72.9	-176.2	175.7	178.8	0	112.5	E942 M944 R950	E942-K946 HydrophobicContact CG-CD 3.92Å; E942-K946 HydrophobicContact CG-CG 4.47Å; E942-K946 WeakPolarHBondContact O-CB 3.39Å; E942-K946 WeakPolarHBondContact O-CG 3.39Å; E942-K946 PolarHBondContact O-N 3.01Å; E942-K946 WeakPolarHBondContact OE1-CE 3.46Å; E942-K946 IonicContact OE1-NZ 2.82Å; E942-K946 PolarHBondContact OE1-NZ 3.15Å; M944-K946 PolarHBondContact O-N 3.41Å; K946-R950 PolarHBondContact O-N 2.75Å; K946-R950 VanDerWaalsContact O-N 3.13Å
947	T	91.3	Very high	89.4	Confident	18 Å²	18	44 Å²	44	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-41	178.6	-56.1	0	0	0	0	111.1	C790 F943 M944 V945 R950 K951	C790-T947 HydrophobicContact CB-CG2 3.95Å; F943-T947 WeakPolarHBondContact O-CB 3.27Å; F943-T947 PolarHBondContact O-N 2.55Å; F943-T947 PolarHBondContact O-OG1 2.97Å; M944-T947 PolarHBondContact O-N 3.29Å; V945-T947 PolarHBondContact O-N 3.14Å; T947-R950 PolarHBondContact O-N 3.36Å; T947-K951 HydrophobicContact CG2-CD 4.49Å; T947-K951 PolarHBondContact O-N 3.2Å
948	R	91.6	Very high	88.5	Confident	20 Å²	20	42.4 Å²	42.4	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-63	-46.5	176.7	-71.9	-179.3	71.9	70.5	7.1	111.8	L789 M944 V945 R950 K951 G952 L953 N954 E955	L789-R948 WeakPolarHBondContact O-CD 3.49Å; L789-R948 WeakPolarHBondContact O-CG 3.3Å; L789-R948 PolarHBondContact O-NH1 2.84Å; M944-R948 HydrophobicContact CG-CG 4.47Å; M944-R948 WeakPolarHBondContact O-CB 3.4Å; M944-R948 VanDerWaalsContact O-CG 3.26Å; M944-R948 WeakPolarHBondContact O-CG 3.17Å; M944-R948 PolarHBondContact O-N 3.14Å; V945-R948 PolarHBondContact O-N 3.28Å; R948-R950 VanDerWaalsContact C-N 3.33Å; R948-R950 PolarHBondContact O-N 3.2Å; R948-K951 PolarHBondContact O-N 3.07Å; R948-G952 PolarHBondContact O-N 2.83Å; R948-L953 HydrophobicContact CB-CB 4.1Å; R948-L953 HydrophobicContact CG-CB 4.43Å; R948-L953 HydrophobicContact CG-CD1 4.4Å; R948-L953 PolarHBondContact O-N 3.32Å; R948-N954 PolarHBondContact NE-O 2.86Å; R948-N954 PolarHBondContact NH2-O 2.94Å; R948-E955 WeakPolarHBondContact CD-O 3.49Å; R948-E955 PolarHBondContact NE-O 3.03Å
949	R	89.8	Confident	87.6	Confident	148 Å²	148	43.1 Å²	43.1	56%	0.558	22%	0.221	S	C	*	.	H	α-helix	trans	-56.4	-45.4	175.2	-73.4	-178.5	-175.5	177.6	3.8	112	V945 K951 G952 E955	V945-R949 WeakPolarHBondContact O-CG 3.39Å; V945-R949 PolarHBondContact O-N 3.02Å; R949-K951 VanDerWaalsContact C-N 3.35Å; R949-K951 PolarHBondContact O-N 3.08Å; R949-G952 PolarHBondContact O-N 3.49Å; R949-G952 VanDerWaalsContact O-N 3.16Å; R949-E955 IonicContact CZ-OE1 3.85Å; R949-E955 IonicContact CZ-OE2 3.71Å; R949-E955 IonicContact NE-OE2 3.87Å; R949-E955 PolarHBondContact NE-OE2 3.06Å; R949-E955 IonicContact NH2-OE1 3.92Å; R949-E955 PolarHBondContact NH2-OE1 2.65Å; R949-E955 IonicContact NH2-OE2 2.75Å; R949-E955 PolarHBondContact NH2-OE2 3.06Å
950	R	87	Confident	86.5	Confident	76 Å²	76	48.2 Å²	48.2	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-63.2	-38.2	178.5	-171.4	177.1	-57.2	-173.7	1.6	113.6	S634 E636 K946 T947 R948 G952	S634-R950 PolarHBondContact OG-O 3.45Å; E636-R950 VanDerWaalsContact OE2-CG 3.3Å; E636-R950 WeakPolarHBondContact OE2-CG 3.42Å; K946-R950 PolarHBondContact O-N 2.75Å; K946-R950 VanDerWaalsContact O-N 3.13Å; T947-R950 PolarHBondContact O-N 3.36Å; R948-R950 VanDerWaalsContact C-N 3.33Å; R948-R950 PolarHBondContact O-N 3.2Å; R950-G952 PolarHBondContact O-N 3.43Å
951	K	86.5	Confident	85.5	Confident	10 Å²	10	55.2 Å²	55.2	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-76.7	-6.1	178.1	-71.9	-171.2	178.8	178.7	0	113.9	C790 D791 E792 T947 R948 R949 L953	C790-K951 WeakPolarHBondContact O-CD 3.29Å; C790-K951 VanDerWaalsContact O-CE 3.29Å; C790-K951 WeakPolarHBondContact O-CE 3.42Å; C790-K951 PolarHBondContact O-NZ 3.32Å; D791-K951 HydrophobicContact CB-CD 3.95Å; D791-K951 PolarHBondContact O-NZ 3.42Å; E792-K951 VanDerWaalsContact CD-NZ 3.27Å; E792-K951 WeakPolarHBondContact OE1-CE 3.22Å; E792-K951 IonicContact OE1-NZ 3.54Å; E792-K951 PolarHBondContact OE1-NZ 3.03Å; T947-K951 HydrophobicContact CG2-CD 4.49Å; T947-K951 PolarHBondContact O-N 3.2Å; R948-K951 PolarHBondContact O-N 3.07Å; R949-K951 VanDerWaalsContact C-N 3.35Å; R949-K951 PolarHBondContact O-N 3.08Å; K951-L953 VanDerWaalsContact C-N 3.33Å; K951-L953 HydrophobicContact CB-CD1 4.14Å; K951-L953 HydrophobicContact CB-CG 3.99Å
952	G	85.4	Confident	84.6	Confident	60 Å²	60	56 Å²	56	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	19.3	-173.8	0	0	0	0	0	113.5	R948 R949 R950	R948-G952 PolarHBondContact O-N 2.83Å; R949-G952 PolarHBondContact O-N 3.49Å; R949-G952 VanDerWaalsContact O-N 3.16Å; R950-G952 PolarHBondContact O-N 3.43Å
953	L	87	Confident	83.8	Confident	27 Å²	27	55.8 Å²	55.8	14%	0.141	28%	0.281	C	S	.	.			trans	-88.9	149	176.7	-57.7	174.2	0	0	0	110.6	D791 R948 K951 E955	D791-L953 HydrophobicContact CB-CD1 4.24Å; D791-L953 WeakPolarHBondContact OD2-CD1 3.34Å; R948-L953 HydrophobicContact CB-CB 4.1Å; R948-L953 HydrophobicContact CG-CB 4.43Å; R948-L953 HydrophobicContact CG-CD1 4.4Å; R948-L953 PolarHBondContact O-N 3.32Å; K951-L953 VanDerWaalsContact C-N 3.33Å; K951-L953 HydrophobicContact CB-CD1 4.14Å; K951-L953 HydrophobicContact CB-CG 3.99Å; L953-E955 PolarHBondContact O-N 3.15Å
954	N	87.4	Confident	82.8	Confident	124 Å²	124	56 Å²	56	66%	0.663	28%	0.284	S	S	*	.			trans	-52	139.8	172	-67.5	-3.2	0	0	0	111.1	R948 D956	R948-N954 PolarHBondContact NE-O 2.86Å; R948-N954 PolarHBondContact NH2-O 2.94Å; N954-D956 VanDerWaalsContact C-N 3.28Å; N954-D956 PolarHBondContact O-N 3.22Å
955	E	82.5	Confident	81.6	Confident	81 Å²	81	62 Å²	62	38%	0.379	32%	0.316	S	S	.	.	S	Bend	trans	-54.1	-42.3	-174	177.8	159.2	178.2	0	0	113.8	V945 R948 R949 L953	V945-E955 HydrophobicContact CG1-CG 3.88Å; V945-E955 WeakPolarHBondContact CG1-OE1 3.41Å; V945-E955 HydrophobicContact CG2-CG 4.14Å; R948-E955 WeakPolarHBondContact CD-O 3.49Å; R948-E955 PolarHBondContact NE-O 3.03Å; R949-E955 IonicContact CZ-OE1 3.85Å; R949-E955 IonicContact CZ-OE2 3.71Å; R949-E955 IonicContact NE-OE2 3.87Å; R949-E955 PolarHBondContact NE-OE2 3.06Å; R949-E955 IonicContact NH2-OE1 3.92Å; R949-E955 PolarHBondContact NH2-OE1 2.65Å; R949-E955 IonicContact NH2-OE2 2.75Å; R949-E955 PolarHBondContact NH2-OE2 3.06Å; L953-E955 PolarHBondContact O-N 3.15Å
956	D	83.2	Confident	80.6	Confident	52 Å²	52	64.7 Å²	64.7	28%	0.278	33%	0.333	S	S	.	.	S	Bend	trans	-101.6	146.7	176.6	-82.5	-47.5	0	0	0	112.8	R924 R941 N954 S958	R924-D956 IonicContact NE-OD1 3.34Å; R924-D956 IonicContact NE-OD2 2.8Å; R941-D956 IonicContact CZ-OD1 3.91Å; R941-D956 VanDerWaalsContact CZ-OD1 3.29Å; R941-D956 IonicContact NH1-OD1 2.66Å; R941-D956 PolarHBondContact NH1-OD1 3.17Å; R941-D956 IonicContact NH2-OD1 3.69Å; R941-D956 PolarHBondContact NH2-OD1 3.08Å; R941-D956 IonicContact NH2-OD2 2.76Å; N954-D956 VanDerWaalsContact C-N 3.28Å; N954-D956 PolarHBondContact O-N 3.22Å; D956-S958 PolarHBondContact O-N 3.15Å
957	V	79.8	Confident	79.7	Confident	9 Å²	9	60.5 Å²	60.5	6%	0.055	32%	0.315	C	S	.	.			trans	-75.5	114.3	167.7	-176	0	0	0	0	108.1	L789 L831 L922 M944	L789-V957 HydrophobicContact CD2-CG2 4.31Å; L831-V957 HydrophobicContact CD1-CG1 4.16Å; L831-V957 HydrophobicContact CD2-CG1 4.03Å; L922-V957 HydrophobicContact CD2-CB 4.3Å; L922-V957 HydrophobicContact CD2-CG2 4.32Å; M944-V957 HydrophobicContact SD-CG2 4.38Å
958	S	71.5	Confident	78.8	Confident	53 Å²	53	61.8 Å²	61.8	37%	0.371	32%	0.321	S	S	.	.			trans	-85	112.9	172.3	53.8	0	0	0	0	109.8	D956 N960 K961	D956-S958 PolarHBondContact O-N 3.15Å; S958-N960 PolarHBondContact O-N 3.17Å; S958-K961 WeakPolarHBondContact O-CB 3.37Å; S958-K961 PolarHBondContact O-N 3.14Å
959	I	73.3	Confident	77.9	Confident	77 Å²	77	66 Å²	66	40%	0.395	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-54.5	-38.7	175.2	-58.8	173.8	0	0	0	109.6	M832 K961 F962 F963	M832-I959 HydrophobicContact CE-CG2 4.1Å; I959-K961 PolarHBondContact O-N 2.98Å; I959-F962 PolarHBondContact O-N 3.16Å; I959-F962 VanDerWaalsContact O-N 3.17Å; I959-F963 HydrophobicContact CG2-CD2 3.42Å; I959-F963 VanDerWaalsContact CG2-CD2 3.42Å; I959-F963 HydrophobicContact CG2-CE2 3.38Å; I959-F963 HydrophobicContact CG2-CG 4.03Å; I959-F963 HydrophobicContact CG2-CZ 4.02Å; I959-F963 WeakPolarHBondContact O-CD2 3.34Å
960	N	69.8	Low	77.1	Confident	120 Å²	120	62.8 Å²	62.8	64%	0.642	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.1	-19.7	178.9	-59	-5.4	0	0	0	114.9	S958 F962	S958-N960 PolarHBondContact O-N 3.17Å; N960-F962 VanDerWaalsContact C-N 3.34Å; N960-F962 PolarHBondContact O-N 3.47Å
961	K	72.2	Confident	76.4	Confident	148 Å²	148	60.1 Å²	60.1	64%	0.643	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-69.7	-28.7	-179	-168.7	175.7	-179.7	-178.8	0	113.2	S958 I959	S958-K961 WeakPolarHBondContact O-CB 3.37Å; S958-K961 PolarHBondContact O-N 3.14Å; I959-K961 PolarHBondContact O-N 2.98Å
962	F	74.3	Confident	75.6	Confident	26 Å²	26	62.1 Å²	62.1	11%	0.114	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-13.1	-170.5	-55	-66.1	0	0	0	114.4	P788 Y827 S828 L831 I959 N960	P788-F962 HydrophobicContact CB-CE2 4.35Å; Y827-F962 AromaticContact CD2-CD1 3.69Å; Y827-F962 HydrophobicContact CD2-CD1 3.69Å; Y827-F962 AromaticContact CD2-CE1 3.43Å; Y827-F962 HydrophobicContact CD2-CE1 3.43Å; Y827-F962 VanDerWaalsContact CD2-CE1 3.43Å; Y827-F962 HydrophobicContact CD2-CG 4.44Å; Y827-F962 HydrophobicContact CD2-CZ 4Å; Y827-F962 AromaticContact CE2-CE1 3.97Å; Y827-F962 HydrophobicContact CE2-CE1 3.97Å; Y827-F962 HydrophobicContact CE2-CZ 4.47Å; Y827-F962 HydrophobicContact CG-CD1 4.43Å; Y827-F962 HydrophobicContact CG-CE1 4.38Å; S828-F962 PolarHBondContact OG-O 3.47Å; S828-F962 VanDerWaalsContact OG-O 3.09Å; L831-F962 HydrophobicContact CD1-CD2 3.69Å; L831-F962 HydrophobicContact CD1-CE2 4.12Å; I959-F962 PolarHBondContact O-N 3.16Å; I959-F962 VanDerWaalsContact O-N 3.17Å; N960-F962 VanDerWaalsContact C-N 3.34Å; N960-F962 PolarHBondContact O-N 3.47Å
963	F	77.5	Confident	74.9	Confident	9 Å²	9	66 Å²	66	4%	0.039	35%	0.345	C	S	.	.	S	Bend	trans	-100.1	128.9	-175.2	-71	-106.2	0	0	0	109.7	L831 M832 I959 M967 L968 L971	L831-F963 HydrophobicContact CD1-CE2 4.49Å; M832-F963 HydrophobicContact CE-CD1 4.43Å; M832-F963 HydrophobicContact CE-CE1 3.46Å; M832-F963 VanDerWaalsContact CE-CE1 3.46Å; M832-F963 HydrophobicContact CE-CE2 4.11Å; M832-F963 HydrophobicContact CE-CZ 3.25Å; M832-F963 HydrophobicContact CG-CE1 4.15Å; M832-F963 HydrophobicContact CG-CZ 3.85Å; M832-F963 HydrophobicContact SD-CZ 4.4Å; I959-F963 HydrophobicContact CG2-CD2 3.42Å; I959-F963 VanDerWaalsContact CG2-CD2 3.42Å; I959-F963 HydrophobicContact CG2-CE2 3.38Å; I959-F963 HydrophobicContact CG2-CG 4.03Å; I959-F963 HydrophobicContact CG2-CZ 4.02Å; I959-F963 WeakPolarHBondContact O-CD2 3.34Å; F963-M967 HydrophobicContact CD1-CB 4.23Å; F963-M967 HydrophobicContact CD1-CG 3.46Å; F963-M967 VanDerWaalsContact CD1-CG 3.46Å; F963-M967 HydrophobicContact CE1-CE 4.29Å; F963-M967 HydrophobicContact CE1-CG 4.06Å; F963-M967 HydrophobicContact CG-CG 4.5Å; F963-L968 HydrophobicContact CB-CD2 3.77Å; F963-L968 HydrophobicContact CB-CG 3.85Å; F963-L968 HydrophobicContact CG-CD2 4.46Å; F963-L971 HydrophobicContact CD1-CD1 3.51Å; F963-L971 HydrophobicContact CE1-CD1 3.75Å; F963-L971 HydrophobicContact CG-CD1 4.24Å
964	D	71.1	Confident	73.9	Confident	28 Å²	28	68.1 Å²	68.1	15%	0.15	35%	0.354	C	S	.	.			trans	-71.3	152.1	172	-59.4	-39	0	0	0	109.7	A686 E687 R824 P966 M967 L968	A686-D964 WeakPolarHBondContact CA-OD2 3.42Å; E687-D964 PolarHBondContact N-OD2 3.08Å; R824-D964 IonicContact CZ-OD1 3.55Å; R824-D964 IonicContact NH1-OD1 3.15Å; R824-D964 PolarHBondContact NH1-OD1 3.18Å; D964-P966 VanDerWaalsContact C-N 3.27Å; D964-P966 VanDerWaalsContact O-N 3.09Å; D964-M967 WeakPolarHBondContact O-CA 3.43Å; D964-M967 WeakPolarHBondContact O-CB 3.3Å; D964-M967 PolarHBondContact O-N 3.45Å; D964-L968 PolarHBondContact O-N 3.15Å
965	D	69.9	Low	72.8	Confident	124 Å²	124	66.7 Å²	66.7	66%	0.663	35%	0.347	S	S	*	.	H	α-helix	trans	-46.7	-40.9	-179.9	-61	-29.6	0	0	0	114.5	M967 L968 L969	D965-M967 VanDerWaalsContact C-N 3.28Å; D965-M967 PolarHBondContact O-N 3.11Å; D965-L968 PolarHBondContact O-N 3.4Å; D965-L969 PolarHBondContact O-N 3.19Å
966	P	69.5	Low	71.4	Confident	60 Å²	60	66.8 Å²	66.8	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-34.5	177.4	-22.7	35.5	0	0	0	113.2	F685 D964 L969 E970	F685-P966 HydrophobicContact CE2-CB 4.07Å; F685-P966 HydrophobicContact CZ-CB 3.9Å; D964-P966 VanDerWaalsContact C-N 3.27Å; D964-P966 VanDerWaalsContact O-N 3.09Å; P966-L969 WeakPolarHBondContact O-CB 3.39Å; P966-E970 PolarHBondContact O-N 3.36Å; P966-E970 VanDerWaalsContact O-N 3.1Å
967	M	72.4	Confident	69.7	Low	0 Å²	0	71 Å²	71	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-76.3	-37.2	178.1	-171.6	69.8	-168	0	0	110.9	L682 C684 F685 F963 D964 D965 L969 E970 L971	L682-M967 HydrophobicContact CB-CE 4.08Å; L682-M967 HydrophobicContact CD1-CE 4.23Å; C684-M967 HydrophobicContact CB-CE 4.39Å; F685-M967 HydrophobicContact CD1-SD 3.64Å; F685-M967 HydrophobicContact CE1-CB 4.19Å; F685-M967 HydrophobicContact CE1-CG 4.45Å; F685-M967 HydrophobicContact CE1-SD 3.5Å; F685-M967 VanDerWaalsContact CE1-SD 3.5Å; F685-M967 HydrophobicContact CE2-CB 4.26Å; F685-M967 HydrophobicContact CG-SD 4.46Å; F685-M967 HydrophobicContact CZ-CB 3.94Å; F685-M967 HydrophobicContact CZ-SD 4.24Å; F963-M967 HydrophobicContact CD1-CB 4.23Å; F963-M967 HydrophobicContact CD1-CG 3.46Å; F963-M967 VanDerWaalsContact CD1-CG 3.46Å; F963-M967 HydrophobicContact CE1-CE 4.29Å; F963-M967 HydrophobicContact CE1-CG 4.06Å; F963-M967 HydrophobicContact CG-CG 4.5Å; D964-M967 WeakPolarHBondContact O-CA 3.43Å; D964-M967 WeakPolarHBondContact O-CB 3.3Å; D964-M967 PolarHBondContact O-N 3.45Å; D965-M967 VanDerWaalsContact C-N 3.28Å; D965-M967 PolarHBondContact O-N 3.11Å; M967-L969 VanDerWaalsContact C-N 3.27Å; M967-L969 PolarHBondContact O-N 3.1Å; M967-E970 PolarHBondContact O-N 3.49Å; M967-E970 VanDerWaalsContact O-N 3.11Å; M967-L971 WeakPolarHBondContact O-CG 3.45Å; M967-L971 PolarHBondContact O-N 3.18Å
968	L	72.4	Confident	68.1	Low	45 Å²	45	75.9 Å²	75.9	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-60.4	-38.9	171.5	-70.5	173.2	0	0	0	111.7	F963 D964 D965 L971 A972	F963-L968 HydrophobicContact CB-CD2 3.77Å; F963-L968 HydrophobicContact CB-CG 3.85Å; F963-L968 HydrophobicContact CG-CD2 4.46Å; D964-L968 PolarHBondContact O-N 3.15Å; D965-L968 PolarHBondContact O-N 3.4Å; L968-L971 HydrophobicContact CD2-CD1 4.27Å; L968-L971 PolarHBondContact O-N 3.35Å; L968-A972 WeakPolarHBondContact O-CB 3.45Å; L968-A972 PolarHBondContact O-N 3.17Å
969	L	73.3	Confident	66.9	Low	108 Å²	108	79.2 Å²	79.2	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-64.8	-37.6	172.4	-83.1	156.2	0	0	0	112.6	D965 P966 M967 K973	D965-L969 PolarHBondContact O-N 3.19Å; P966-L969 WeakPolarHBondContact O-CB 3.39Å; M967-L969 VanDerWaalsContact C-N 3.27Å; M967-L969 PolarHBondContact O-N 3.1Å; L969-K973 VanDerWaalsContact O-CG 3.28Å; L969-K973 WeakPolarHBondContact O-CG 3.34Å; L969-K973 PolarHBondContact O-N 3.27Å
970	E	73.5	Confident	65.6	Low	81 Å²	81	85 Å²	85	38%	0.379	43%	0.43	S	S	.	.	H	α-helix	trans	-70.2	-40.3	177.2	-165.9	165.2	-169.6	0	0	111.9	F685 P966 M967 K973 Q974	F685-E970 WeakPolarHBondContact CE1-OE2 3.4Å; P966-E970 PolarHBondContact O-N 3.36Å; P966-E970 VanDerWaalsContact O-N 3.1Å; M967-E970 PolarHBondContact O-N 3.49Å; M967-E970 VanDerWaalsContact O-N 3.11Å; E970-K973 PolarHBondContact O-N 3.07Å; E970-Q974 PolarHBondContact O-N 2.88Å; E970-Q974 VanDerWaalsContact O-N 3.08Å
971	L	71.7	Confident	64.4	Low	20 Å²	20	83.2 Å²	83.2	11%	0.105	43%	0.432	C	S	.	.	H	α-helix	trans	-57.7	-51.2	170.2	-77.1	164.5	0	0	0	111.4	L682 M832 F963 M967 L968 K973 Q974 D975	L682-L971 HydrophobicContact CD1-CD2 3.21Å; L682-L971 HydrophobicContact CD1-CG 4.12Å; M832-L971 HydrophobicContact CE-CD1 3.69Å; M832-L971 HydrophobicContact CE-CD2 3.37Å; M832-L971 HydrophobicContact CE-CG 4.18Å; M832-L971 HydrophobicContact SD-CD2 3.88Å; F963-L971 HydrophobicContact CD1-CD1 3.51Å; F963-L971 HydrophobicContact CE1-CD1 3.75Å; F963-L971 HydrophobicContact CG-CD1 4.24Å; M967-L971 WeakPolarHBondContact O-CG 3.45Å; M967-L971 PolarHBondContact O-N 3.18Å; L968-L971 HydrophobicContact CD2-CD1 4.27Å; L968-L971 PolarHBondContact O-N 3.35Å; L971-K973 VanDerWaalsContact C-N 3.26Å; L971-K973 PolarHBondContact O-N 3.28Å; L971-Q974 PolarHBondContact O-N 3.06Å; L971-D975 PolarHBondContact O-N 3.39Å
972	A	70.8	Confident	62.6	Low	52 Å²	52	86.3 Å²	86.3	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-59.8	-37.4	179.1	0	0	0	0	0	112.2	L968 Q974 V976	L968-A972 WeakPolarHBondContact O-CB 3.45Å; L968-A972 PolarHBondContact O-N 3.17Å; A972-Q974 VanDerWaalsContact C-N 3.33Å; A972-V976 WeakPolarHBondContact O-CG2 3.3Å; A972-V976 PolarHBondContact O-N 3.29Å
973	K	70.9	Confident	62	Low	142 Å²	142	89.3 Å²	89.3	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-64.4	-38.3	174.7	-76	170.9	-176.6	175.5	0	112.1	L969 E970 L971 M977	L969-K973 VanDerWaalsContact O-CG 3.28Å; L969-K973 WeakPolarHBondContact O-CG 3.34Å; L969-K973 PolarHBondContact O-N 3.27Å; E970-K973 PolarHBondContact O-N 3.07Å; L971-K973 VanDerWaalsContact C-N 3.26Å; L971-K973 PolarHBondContact O-N 3.28Å; K973-M977 WeakPolarHBondContact O-CG 3.22Å; K973-M977 PolarHBondContact O-N 3.02Å; K973-M977 VanDerWaalsContact O-N 3.12Å
974	Q	65.2	Low	61.2	Low	71 Å²	71	93.5 Å²	93.5	33%	0.332	49%	0.494	S	S	.	.	H	α-helix	trans	-79.3	-37.2	-179.5	-72.8	-162.7	-0.6	0	0	113.6	E970 L971 A972 V976 M977 L978	E970-Q974 PolarHBondContact O-N 2.88Å; E970-Q974 VanDerWaalsContact O-N 3.08Å; L971-Q974 PolarHBondContact O-N 3.06Å; A972-Q974 VanDerWaalsContact C-N 3.33Å; Q974-V976 PolarHBondContact O-N 3.26Å; Q974-M977 CarbonylContact O-C 3.6Å; Q974-M977 WeakPolarHBondContact O-CA 3.3Å; Q974-M977 WeakPolarHBondContact O-CB 3.35Å; Q974-M977 PolarHBondContact O-N 2.88Å; Q974-L978 PolarHBondContact O-N 2.97Å
975	D	63.7	Low	60.7	Low	95 Å²	95	97.2 Å²	97.2	51%	0.508	51%	0.513	S	S	.	.	H	α-helix	trans	-59.5	-38	171.8	-82.9	-14.9	0	0	0	110.8	L971 N979	L971-D975 PolarHBondContact O-N 3.39Å; D975-N979 WeakPolarHBondContact O-CB 3.03Å; D975-N979 PolarHBondContact O-N 3.03Å; D975-N979 PolarHBondContact O-ND2 3.17Å; D975-N979 VanDerWaalsContact O-ND2 3.16Å
976	V	53.4	Low	60.1	Low	83 Å²	83	95.6 Å²	95.6	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-45.9	170.1	174.4	0	0	0	0	110.2	A972 Q974 L978 N979 Y980	A972-V976 WeakPolarHBondContact O-CG2 3.3Å; A972-V976 PolarHBondContact O-N 3.29Å; Q974-V976 PolarHBondContact O-N 3.26Å; V976-L978 PolarHBondContact O-N 3.13Å; V976-N979 PolarHBondContact O-N 2.96Å; V976-Y980 HydrophobicContact CG1-CD2 3.89Å; V976-Y980 HydrophobicContact CG1-CE2 3.95Å; V976-Y980 VanDerWaalsContact O-CD2 3.26Å; V976-Y980 WeakPolarHBondContact O-CD2 3.43Å; V976-Y980 PolarHBondContact O-N 2.73Å; V976-Y980 VanDerWaalsContact O-N 3.15Å
977	M	48.1	Very low	59.6	Low	141 Å²	141	97.8 Å²	97.8	70%	0.695	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-38.4	178	-67.1	-136.7	-160.5	0	0	113.9	K973 Q974 Y980 A981	K973-M977 WeakPolarHBondContact O-CG 3.22Å; K973-M977 PolarHBondContact O-N 3.02Å; K973-M977 VanDerWaalsContact O-N 3.12Å; Q974-M977 CarbonylContact O-C 3.6Å; Q974-M977 WeakPolarHBondContact O-CA 3.3Å; Q974-M977 WeakPolarHBondContact O-CB 3.35Å; Q974-M977 PolarHBondContact O-N 2.88Å; M977-Y980 PolarHBondContact O-N 2.84Å; M977-A981 WeakPolarHBondContact O-CB 3.16Å; M977-A981 PolarHBondContact O-N 3.11Å; M977-A981 VanDerWaalsContact O-N 3.14Å
978	L	46.5	Very low	58.7	Low	110 Å²	110	104.3 Å²	104.3	58%	0.576	55%	0.545	S	S	*	.	H	α-helix	trans	-68.2	-38.8	178.2	-78.2	160.1	0	0	0	111.5	Q974 V976 Y980 A981	Q974-L978 PolarHBondContact O-N 2.97Å; V976-L978 PolarHBondContact O-N 3.13Å; L978-Y980 VanDerWaalsContact C-N 3.26Å; L978-Y980 PolarHBondContact O-N 2.73Å; L978-A981 PolarHBondContact O-N 2.84Å
979	N	45	Very low	57.7	Low	124 Å²	124	108.6 Å²	108.6	66%	0.663	57%	0.567	S	S	*	*	H	α-helix	trans	-71.8	-16.2	175	-74.2	-32.4	0	0	0	113.9	D975 V976	D975-N979 WeakPolarHBondContact O-CB 3.03Å; D975-N979 PolarHBondContact O-N 3.03Å; D975-N979 PolarHBondContact O-ND2 3.17Å; D975-N979 VanDerWaalsContact O-ND2 3.16Å; V976-N979 PolarHBondContact O-N 2.96Å
980	Y	47.4	Very low	56.5	Low	198 Å²	198	108.6 Å²	108.6	78%	0.776	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-6.9	172.3	-86.9	-87.6	0	0	0	113.4	V976 M977 L978	V976-Y980 HydrophobicContact CG1-CD2 3.89Å; V976-Y980 HydrophobicContact CG1-CE2 3.95Å; V976-Y980 VanDerWaalsContact O-CD2 3.26Å; V976-Y980 WeakPolarHBondContact O-CD2 3.43Å; V976-Y980 PolarHBondContact O-N 2.73Å; V976-Y980 VanDerWaalsContact O-N 3.15Å; M977-Y980 PolarHBondContact O-N 2.84Å; L978-Y980 VanDerWaalsContact C-N 3.26Å; L978-Y980 PolarHBondContact O-N 2.73Å
981	A	43.9	Very low	55.1	Low	83 Å²	83	110.9 Å²	110.9	69%	0.686	58%	0.583	S	S	*	*			trans	-100.8	1.7	-179.4	0	0	0	0	0	114	M977 L978	M977-A981 WeakPolarHBondContact O-CB 3.16Å; M977-A981 PolarHBondContact O-N 3.11Å; M977-A981 VanDerWaalsContact O-N 3.14Å; L978-A981 PolarHBondContact O-N 2.84Å
982	L	34.8	Very low	53.6	Low	212 Å²	212	119.2 Å²	119.2	100%	1.11	63%	0.627	S	S	*	*			trans	-108.6	0	163.6	-74.1	165.8	0	0	0	109

Retrieved 982 of 982 residues in 281.8 ms (Link to these results)

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