A0A087Y8E1_POEFO Loading...

PR/SET domain 15

AlphaFold DB , UniProt , Accession A0A087Y8E1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,233 aa.

						>A0A087Y8E1_POEFO|A0A087Y8E1
MAEQTPDEFICEYESTRHCVLTLTAWEQAVLTDVIPPTGCEDCGQYHDSECPELGPLVTVQDSFVLSRARYNIRSTDFLWQCFRSNTFLYTSFIHNLISSCCSNSLPSLHAMKAELHQTLTWSCRKKSSLPNSLEIREVGHREEGVFVLRRLVKRTRFGPFEAKRVPILENEGVFPLKIFQKDGAVVCFDCSSEDDCNWMMLVRPAADHKHQNLTAYQQDDDVYFNTSQDVLPGTELRVWYGAFYAKKMEKPMLKLPPPLPPPGSRKPTSACFSICSQQDWDPDMFPCSNPFISLSLTPGITLDLSSEVASVQSLVAPGVEEGKPHTAQVCRKRGQGRGRRARGRRPGTGPFTSRSKGITPNILISNLPKLTKLVHDNKSVHPCKILQLNLSTPKAGPAYVDSLMCADVKSMLGGLELVASEAAAASESSGLLTSCDGATVQRRHKAREHKRVYRCSLCSKIFQNSSNLNRHIRSHGDKLFKCDECDKLFSRKESLKQHISYKHSKNMPDQDYKYKCNTCEKSFRLENALKFHNCRTDDKTFQCDICSRFFSTNSNLSKHKKKHGEKLYSCEICNKMFYRKDVMQEHHRRHSVGAKQMKKEELEANGEEGTKYRKEPSPCPICGKVFSCRSNMNKHLLTHGDKKYTCEICGRKFFRVDVLRDHIHVHFKDIALMDEQEREDFIKKIGISPDDSDETDEEDEDDDPDHHKYNCKKCQLSFAKGRDYLKHIMEQHKEKGHSCAICNRHFALKATYNAHLVIHREQLPDPAVQKYIHPCEMCGRIFNSIGNLERHKIIHTGVKSHCCEKCGKSFARKDMLKEHLRVHDDNRDYLCAECGKGMKTKHALRHHMKLHKGIKEYECKECNRKFAQKVNMLKHFKRHTGVKDFMCELCGKTFSERTTLETHKLIHTVGKTWKCEHCDKKYLTEYMLQKHIHLTHEKVEAQSCHLCGTKVSTRASMNRHLRRKHPEVAPMRLDEFDDFQENSTVTNSSIGIVQPTLSLEKDSMSHEKPVRPNRHPKKKQRVLVEPELSESDDYGDFTEPRHAPMPEFNTVIVGEETETSSAVQSIQQVVVLTDPNAPSAPSPSSSVGLTNITVTPITSHSQTQFTSLQPVAVGHLTATDRPLTLDNSILTVTFDTVSGSAMLHNRPSELVPETVGSTNGAAPQSVAHFINLTTLVNPISHQLEAPTLSWRPVPAAEGSQETQSRGPDPAQSNPTATQQQQQSNSAQQMFGY
					

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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	27.8	Very low	28.8	Very low	254 Å²	254	153.5 Å²	153.5	100%	1.251	82%	0.817	S	S	*	*				0	175.9	0	-80.1	171.9	157.8	0	0	108.1
2	A	30	Very low	28.6	Very low	87 Å²	87	155.8 Å²	155.8	72%	0.719	82%	0.819	S	S	*	*			trans	-107	174.7	-159.4	0	0	0	0	0	113.9
3	E	30.8	Very low	29.5	Very low	165 Å²	165	162 Å²	162	77%	0.771	83%	0.827	S	S	*	*			trans	71.7	158	160.1	-55.6	-161.6	107.7	0	0	117.3
4	Q	31.7	Very low	30	Very low	155 Å²	155	162.8 Å²	162.8	72%	0.724	83%	0.826	S	S	*	*			cis	-167.7	161.8	-25.1	-103.7	-155.9	63.2	0	0	106.7
5	T	30.2	Very low	30.3	Very low	116 Å²	116	158.5 Å²	158.5	71%	0.712	82%	0.817	S	S	*	*				-156.2	142.7	-57	1	0	0	0	0	108.2
6	P	40	Very low	31	Very low	113 Å²	113	156.9 Å²	156.9	73%	0.734	82%	0.817	S	S	*	*			trans	-102.5	163.6	-178.8	39.3	-34	0	0	0	113.9
7	D	25.2	Very low	31.3	Very low	165 Å²	165	159.8 Å²	159.8	88%	0.882	81%	0.814	S	S	*	*			trans	-165.5	100	139.3	-104.2	-20.5	0	0	0	109.9
8	E	25.8	Very low	31.5	Very low	173 Å²	173	159.6 Å²	159.6	81%	0.808	81%	0.809	S	S	*	*			trans	-104.6	149.2	159	-66.6	-176.1	116.5	0	0	108
9	F	25.8	Very low	31.8	Very low	202 Å²	202	155.9 Å²	155.9	89%	0.886	80%	0.799	S	S	*	*			trans	-155.3	131	145.6	-109.7	-68.2	0	0	0	113.2
10	I	25.7	Very low	32.3	Very low	155 Å²	155	153.2 Å²	153.2	80%	0.795	79%	0.789	S	S	*	*			trans	-120.2	125.9	168.9	-62.3	170	0	0	0	106.3
11	C	24	Very low	32.6	Very low	104 Å²	104	152 Å²	152	70%	0.703	78%	0.784	S	S	*	*			trans	167.4	156.5	164.2	-96.9	0	0	0	0	110.2
12	E	26.3	Very low	33.2	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	75%	0.75	S	S	*	*			cis	-157.9	-174	-24.1	-134.2	179.6	-177.4	0	0	110.7	E14	E12-E14 PolarHBondContact O-N 2.82Å
13	Y	40	Very low	33.5	Very low	237 Å²	237	146.2 Å²	146.2	93%	0.929	75%	0.749	S	S	*	*			trans	-97.8	49.7	-162.1	-149.4	-95.2	0	0	0	114.8
14	E	37.3	Very low	33.8	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	74%	0.736	S	S	*	*			trans	-134.3	120.4	177.8	-100.8	-163.2	162.5	0	0	114.8	E12	E12-E14 PolarHBondContact O-N 2.82Å
15	S	34.7	Very low	33.9	Very low	99 Å²	99	138.5 Å²	138.5	69%	0.692	73%	0.731	S	S	*	*			trans	-161.9	-34.1	168.6	-161.7	0	0	0	0	114.2	R17 H18	S15-R17 PolarHBondContact O-N 2.97Å; S15-H18 PolarHBondContact O-N 2.73Å
16	T	40.3	Very low	34.1	Very low	133 Å²	133	144 Å²	144	82%	0.816	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	0.8	-169.6	38.1	0	0	0	0	116.7
17	R	37	Very low	33.8	Very low	205 Å²	205	146.8 Å²	146.8	77%	0.774	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-17.7	175.5	-76.8	-177.6	168.3	174.1	-3.6	115	S15	S15-R17 PolarHBondContact O-N 2.97Å
18	H	35.2	Very low	34.2	Very low	156 Å²	156	147.2 Å²	147.2	72%	0.722	74%	0.739	S	S	*	*	H	α-helix	trans	-82.4	-22.8	-174.3	-113.6	101.9	0	0	0	115	S15 T22	S15-H18 PolarHBondContact O-N 2.73Å; H18-T22 PolarHBondContact O-OG1 2.82Å
19	C	37.6	Very low	34.3	Very low	91 Å²	91	142.8 Å²	142.8	62%	0.615	73%	0.732	S	S	*	*	H	α-helix	trans	-80.8	-12	179	-66.2	0	0	0	0	114.8	T22	C19-T22 WeakPolarHBondContact CA-OG1 3.37Å; C19-T22 PolarHBondContact O-OG1 3.17Å
20	V	40.9	Very low	34.5	Very low	100 Å²	100	137.6 Å²	137.6	61%	0.606	72%	0.717	S	S	*	*	H	α-helix	trans	-92	-37.1	-176.2	-177.4	0	0	0	0	111.6	T24	V20-T24 PolarHBondContact O-OG1 3.46Å
21	L	38.4	Very low	35	Very low	128 Å²	128	138.6 Å²	138.6	67%	0.67	72%	0.723	S	S	*	*	H	α-helix	trans	-75.3	-23.2	177.1	-75	166.4	0	0	0	113.6	T24 A25	L21-T24 PolarHBondContact O-OG1 3.05Å; L21-A25 WeakPolarHBondContact O-CB 3.5Å; L21-A25 PolarHBondContact O-N 3.32Å
22	T	39.8	Very low	35.2	Very low	89 Å²	89	139 Å²	139	55%	0.546	72%	0.722	S	S	.	*	H	α-helix	trans	-80	-25	-178.9	37.2	0	0	0	0	113.8	H18 C19	H18-T22 PolarHBondContact O-OG1 2.82Å; C19-T22 WeakPolarHBondContact CA-OG1 3.37Å; C19-T22 PolarHBondContact O-OG1 3.17Å
23	L	36.2	Very low	35.8	Very low	131 Å²	131	138.4 Å²	138.4	69%	0.686	73%	0.725	S	S	*	*	H	α-helix	trans	-82.7	-41.7	173.2	-80.4	163.1	0	0	0	112.2	A25 W26	L23-A25 PolarHBondContact O-N 2.87Å; L23-W26 PolarHBondContact O-N 3.2Å
24	T	38.5	Very low	35.1	Very low	84 Å²	84	133 Å²	133	52%	0.515	72%	0.716	S	S	.	*	H	α-helix	trans	-65.7	-22.8	178.2	47.4	0	0	0	0	113.7	V20 L21 W26	V20-T24 PolarHBondContact O-OG1 3.46Å; L21-T24 PolarHBondContact O-OG1 3.05Å; T24-W26 VanDerWaalsContact C-N 3.34Å
25	A	33.7	Very low	35.3	Very low	74 Å²	74	132.8 Å²	132.8	61%	0.612	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-13.3	177.8	0	0	0	0	0	114.5	L21 L23	L21-A25 WeakPolarHBondContact O-CB 3.5Å; L21-A25 PolarHBondContact O-N 3.32Å; L23-A25 PolarHBondContact O-N 2.87Å
26	W	33.3	Very low	34.9	Very low	231 Å²	231	133.1 Å²	133.1	88%	0.875	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-16.1	-177.1	-129.9	58.7	0	0	0	114.2	L23 T24	L23-W26 PolarHBondContact O-N 3.2Å; T24-W26 VanDerWaalsContact C-N 3.34Å
27	E	34.3	Very low	34.5	Very low	173 Å²	173	131.4 Å²	131.4	81%	0.808	71%	0.71	S	S	*	*	S	Bend	trans	-99.8	-7.4	-178.2	-64.2	-169	134.4	0	0	114.4
28	Q	32.4	Very low	34.1	Very low	173 Å²	173	128.3 Å²	128.3	81%	0.808	71%	0.714	S	S	*	*	S	Bend	trans	-110.7	23	178	-69.2	-160.2	-14.6	0	0	115.2	V30	Q28-V30 WeakPolarHBondContact O-CG2 3.48Å
29	A	28.2	Very low	33.7	Very low	81 Å²	81	123.6 Å²	123.6	67%	0.669	71%	0.707	S	S	*	*			trans	-116.2	76.2	158.9	0	0	0	0	0	108.1
30	V	30.2	Very low	33.4	Very low	93 Å²	93	123.7 Å²	123.7	56%	0.564	71%	0.708	S	S	*	*				48.2	103	78.3	-176.6	0	0	0	0	109.4	Q28 T32	Q28-V30 WeakPolarHBondContact O-CG2 3.48Å; V30-T32 HydrophobicContact CG1-CG2 3.64Å
31	L	37.5	Very low	33.2	Very low	176 Å²	176	128.5 Å²	128.5	92%	0.921	72%	0.724	S	S	*	*			cis	63	38	47.5	-139.2	169.5	0	0	0	112.3
32	T	27.2	Very low	33.3	Very low	111 Å²	111	130.5 Å²	130.5	68%	0.681	74%	0.735	S	S	*	*			trans	-138.8	134.1	165.7	39.3	0	0	0	0	109.9	V30 V34	V30-T32 HydrophobicContact CG1-CG2 3.64Å; T32-V34 PolarHBondContact O-N 3.16Å
33	D	38.8	Very low	33.6	Very low	169 Å²	169	130.8 Å²	130.8	90%	0.904	74%	0.74	S	S	*	*			trans	-72.1	116.1	175.4	-65	-76.4	0	0	0	112.4
34	V	25.7	Very low	33.8	Very low	124 Å²	124	127.8 Å²	127.8	75%	0.752	74%	0.741	S	S	*	*			trans	-146.1	134.7	151.6	-176.6	0	0	0	0	108.7	T32 P36	T32-V34 PolarHBondContact O-N 3.16Å; V34-P36 HydrophobicContact CG1-CG 4.49Å
35	I	40.9	Very low	33.8	Very low	167 Å²	167	131.1 Å²	131.1	86%	0.856	75%	0.75	S	S	*	*			trans	-111.2	113.6	170.3	-59.9	173.7	0	0	0	109.1
36	P	27.6	Very low	33.8	Very low	106 Å²	106	135.9 Å²	135.9	69%	0.688	75%	0.754	S	S	*	*			trans	-98.4	160.8	162.9	3.5	17.7	0	0	0	111.7	V34	V34-P36 HydrophobicContact CG1-CG 4.49Å
37	P	30.8	Very low	33.8	Very low	97 Å²	97	132.7 Å²	132.7	63%	0.63	75%	0.748	S	S	*	*			trans	-104.6	161.8	-147.7	38.3	-36.7	0	0	0	116.6	Y46	P37-Y46 HydrophobicContact CG-CE1 4.38Å
38	T	28.3	Very low	33.8	Very low	141 Å²	141	131.6 Å²	131.6	87%	0.865	75%	0.748	S	S	*	*			trans	-127.3	122.4	158.7	55.3	0	0	0	0	109.2
39	G	27.6	Very low	33.7	Very low	56 Å²	56	128.7 Å²	128.7	58%	0.577	75%	0.747	S	S	*	*			trans	-75.7	176	-171.5	0	0	0	0	0	116
40	C	31.1	Very low	34.2	Very low	94 Å²	94	134.3 Å²	134.3	64%	0.635	76%	0.759	S	S	*	*			trans	-94.6	127.1	177.9	-170.4	0	0	0	0	111.6	D42	C40-D42 VanDerWaalsContact C-N 3.29Å; C40-D42 PolarHBondContact O-N 2.94Å
41	E	36.5	Very low	34	Very low	201 Å²	201	136 Å²	136	94%	0.939	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-10.6	-171.4	-65.3	-168.3	113.5	0	0	115.5
42	D	41.3	Very low	34.3	Very low	169 Å²	169	133.3 Å²	133.3	90%	0.904	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-2.4	-176.6	-96.4	-38.9	0	0	0	114.9	C40	C40-D42 VanDerWaalsContact C-N 3.29Å; C40-D42 PolarHBondContact O-N 2.94Å
43	C	45.8	Very low	34.4	Very low	96 Å²	96	136.6 Å²	136.6	65%	0.649	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	-25.4	178.7	60.8	0	0	0	0	116.5	Q45	C43-Q45 VanDerWaalsContact C-N 3.33Å; C43-Q45 PolarHBondContact O-N 3.41Å; C43-Q45 VanDerWaalsContact O-N 3.16Å
44	G	40.4	Very low	34	Very low	68 Å²	68	137 Å²	137	70%	0.701	78%	0.775	S	S	*	*			trans	68.3	13.6	161.3	0	0	0	0	0	118.4
45	Q	38.2	Very low	34.2	Very low	154 Å²	154	134.2 Å²	134.2	72%	0.72	77%	0.772	S	S	*	*			trans	-135	154.1	169.2	-69.6	-167.4	-5.6	0	0	111.4	C43	C43-Q45 VanDerWaalsContact C-N 3.33Å; C43-Q45 PolarHBondContact O-N 3.41Å; C43-Q45 VanDerWaalsContact O-N 3.16Å
46	Y	33.5	Very low	33.8	Very low	173 Å²	173	132.7 Å²	132.7	68%	0.678	77%	0.773	S	S	*	*			trans	-93.6	135.7	177.9	-74.8	-98.6	0	0	0	110.5	P37	P37-Y46 HydrophobicContact CG-CE1 4.38Å
47	H	33.9	Very low	33.7	Very low	164 Å²	164	134.7 Å²	134.7	76%	0.759	78%	0.777	S	S	*	*			trans	-136.6	121.8	166.7	-78.5	-71.2	0	0	0	109.5
48	D	34.6	Very low	33.4	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	79%	0.788	S	S	*	*			trans	-86.4	135.1	165.4	-58.7	-61.5	0	0	0	109
49	S	30.2	Very low	33.4	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	78%	0.78	S	S	*	*	S	Bend	trans	79.7	121	-176.1	-34.6	0	0	0	0	116.4
50	E	37.4	Very low	33.3	Very low	199 Å²	199	139.3 Å²	139.3	93%	0.93	79%	0.792	S	S	*	*			trans	28.8	122.1	155.6	-55.3	-167.2	153.3	0	0	121.4
51	C	27.3	Very low	33.1	Very low	130 Å²	130	143.1 Å²	143.1	88%	0.878	80%	0.8	S	S	*	*			trans	-142	137.4	157.2	-168.6	0	0	0	0	109.8
52	P	42.9	Very low	32.7	Very low	118 Å²	118	140.9 Å²	140.9	77%	0.766	80%	0.795	S	S	*	*			trans	-122.5	106.7	-148	34.8	-17.4	0	0	0	115.2
53	E	30.1	Very low	31.9	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	79%	0.785	S	S	*	*			trans	-142.1	0	173.5	-102.8	-74.4	113	0	0	114.9
54	L	29.4	Very low	30.9	Very low	176 Å²	176	142.3 Å²	142.3	92%	0.921	80%	0.795	S	S	*	*			trans	-131.6	122.6	-178.4	-70.9	175.7	0	0	0	113.2
55	G	30.5	Very low	30.1	Very low	67 Å²	67	144.3 Å²	144.3	69%	0.691	79%	0.793	S	S	*	*			trans	-76.8	176	178.4	0	0	0	0	0	115.1
56	P	32.3	Very low	29.4	Very low	135 Å²	135	144.5 Å²	144.5	88%	0.877	80%	0.798	S	S	*	*			trans	-79.8	157.6	-150.8	29.2	-37	0	0	0	117
57	L	25.3	Very low	28.9	Very low	147 Å²	147	141.1 Å²	141.1	77%	0.77	80%	0.8	S	S	*	*			trans	-64.8	151.8	177.3	-82.2	67	0	0	0	113.5	T59	L57-T59 HydrophobicContact CD2-CG2 4.23Å
58	V	24.6	Very low	28.4	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	80%	0.799	S	S	*	*			trans	-123.7	120.7	141.3	176.6	0	0	0	0	107.6
59	T	28.1	Very low	27.7	Very low	114 Å²	114	140.5 Å²	140.5	70%	0.699	80%	0.803	S	S	*	*			trans	-77	132.1	-176.2	50.1	0	0	0	0	112.4	L57	L57-T59 HydrophobicContact CD2-CG2 4.23Å
60	V	25.1	Very low	27.4	Very low	136 Å²	136	144.3 Å²	144.3	82%	0.824	80%	0.8	S	S	*	*			trans	-128.5	114.6	159	-179.1	0	0	0	0	107.2
61	Q	27	Very low	26.6	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	80%	0.797	S	S	*	*			trans	-71.7	156.5	177.6	-74.4	174.8	-59.4	0	0	111.8
62	D	28	Very low	26.4	Very low	155 Å²	155	146.4 Å²	146.4	83%	0.829	79%	0.793	S	S	*	*	S	Bend	trans	58.7	69.1	164.9	-63	1.4	0	0	0	117.2
63	S	26.3	Very low	25.5	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	80%	0.797	S	S	*	*			trans	-154.5	147.7	152.2	-79.7	0	0	0	0	112.6
64	F	23.5	Very low	25.5	Very low	195 Å²	195	145.9 Å²	145.9	86%	0.855	78%	0.779	S	S	*	*			trans	76	141.4	173.9	-60.4	-83.5	0	0	0	118.2
65	V	23.3	Very low	25.4	Very low	109 Å²	109	139.9 Å²	139.9	66%	0.661	75%	0.751	S	S	*	*			cis	-167.2	145.7	-30.3	106.1	0	0	0	0	110.4
66	L	24.9	Very low	25.6	Very low	158 Å²	158	142.9 Å²	142.9	83%	0.827	76%	0.757	S	S	*	*			trans	39.4	139.8	156.7	-56.2	167.1	0	0	0	119.4
67	S	22.7	Very low	25.8	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	75%	0.752	S	S	*	*				-172.8	151.9	51.6	81.1	0	0	0	0	116.7
68	R	22.7	Very low	26	Very low	196 Å²	196	145.1 Å²	145.1	74%	0.74	75%	0.754	S	S	*	*			trans	70.3	79.6	133.4	-160.6	-167.2	-164.1	113.4	-13	119.6
69	A	20.8	Very low	26.4	Very low	106 Å²	106	142.9 Å²	142.9	88%	0.876	74%	0.736	S	S	*	*				-102.7	154	128	0	0	0	0	0	109.6
70	R	23.2	Very low	26.4	Very low	192 Å²	192	147.9 Å²	147.9	73%	0.725	74%	0.742	S	S	*	*			trans	-125.2	134.8	174.7	-68.8	175.4	174.1	171.8	-2.8	108.9
71	Y	21.8	Very low	26.7	Very low	225 Å²	225	149.8 Å²	149.8	88%	0.882	74%	0.742	S	S	*	*			trans	-173.7	105.8	134.9	-85.7	-66.5	0	0	0	105
72	N	23.1	Very low	26.8	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	73%	0.731	S	S	*	*				69.6	85.3	69	-167.8	51.4	0	0	0	113.6
73	I	23.3	Very low	26.8	Very low	165 Å²	165	145.8 Å²	145.8	85%	0.846	73%	0.725	S	S	*	*			trans	-119.4	113	165.1	-62.3	177.7	0	0	0	108.8
74	R	29	Very low	27.1	Very low	123 Å²	123	149.7 Å²	149.7	46%	0.464	73%	0.725	S	S	.	*			trans	-164.5	92.8	161.1	-104.6	-159.1	-177.9	175	6.5	109.8	T913 W914	R74-T913 VanDerWaalsContact NH1-CB 3.33Å; R74-T913 PolarHBondContact NH1-OG1 3.28Å; R74-T913 PolarHBondContact NH2-OG1 3.47Å; R74-W914 VanDerWaalsContact NH1-CD1 3.32Å
75	S	28.6	Very low	27.6	Very low	50 Å²	50	143.8 Å²	143.8	35%	0.35	71%	0.707	S	S	.	*			trans	178	95.5	146.5	-175.6	0	0	0	0	110.2	F78	S75-F78 PolarHBondContact OG-N 2.81Å; S75-F78 VanDerWaalsContact OG-N 3.14Å
76	T	35	Very low	28.2	Very low	130 Å²	130	144.4 Å²	144.4	80%	0.798	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	109.5	140.9	52.7	0	0	0	0	103.1
77	D	36.3	Very low	28.7	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	cis	-136.3	54.5	41	-58.9	-46.7	0	0	0	115
78	F	29.7	Very low	29.3	Very low	186 Å²	186	142.3 Å²	142.3	82%	0.816	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	14	172	-112.6	-83.3	0	0	0	115.8	S75	S75-F78 PolarHBondContact OG-N 2.81Å; S75-F78 VanDerWaalsContact OG-N 3.14Å
79	L	31.2	Very low	30	Very low	93 Å²	93	138.5 Å²	138.5	49%	0.487	68%	0.679	S	S	.	*	S	Bend	trans	-112.1	-1.4	173.9	-82.4	167.7	0	0	0	114.9	Q81	L79-Q81 PolarHBondContact O-N 3.1Å; L79-Q81 VanDerWaalsContact O-N 3.14Å
80	W	28.7	Very low	30.6	Very low	219 Å²	219	141.9 Å²	141.9	83%	0.83	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	3.6	-179	-136.8	81.3	0	0	0	114.7
81	Q	30.8	Very low	31.4	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	3.7	-176.7	-150.2	160.6	11	0	0	114.2	L79	L79-Q81 PolarHBondContact O-N 3.1Å; L79-Q81 VanDerWaalsContact O-N 3.14Å
82	C	30.5	Very low	32.2	Very low	85 Å²	85	128.1 Å²	128.1	57%	0.574	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-32.1	175.1	-159.3	0	0	0	0	112.6	R84 S85	C82-R84 PolarHBondContact O-N 3.09Å; C82-R84 VanDerWaalsContact O-N 3.15Å; C82-S85 PolarHBondContact O-N 2.85Å; C82-S85 VanDerWaalsContact O-N 3.1Å
83	F	28.4	Very low	32.6	Very low	161 Å²	161	128.3 Å²	128.3	71%	0.706	63%	0.627	S	S	*	*	H	α-helix	trans	-66.3	-13.4	176.5	-115.1	-84.7	0	0	0	114.6	T87	F83-T87 PolarHBondContact O-OG1 2.74Å
84	R	32	Very low	33.5	Very low	182 Å²	182	124.6 Å²	124.6	69%	0.687	61%	0.608	S	S	*	*	H	α-helix	trans	-81.2	-14.2	174.9	-154.4	167.2	-174.2	142.3	-0.3	113.1	C82	C82-R84 PolarHBondContact O-N 3.09Å; C82-R84 VanDerWaalsContact O-N 3.15Å
85	S	33.5	Very low	34	Very low	71 Å²	71	125.5 Å²	125.5	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-97.6	-42.7	-172.2	-46.7	0	0	0	0	113.6	C82 F88	C82-S85 PolarHBondContact O-N 2.85Å; C82-S85 VanDerWaalsContact O-N 3.1Å; S85-F88 WeakPolarHBondContact O-CB 3.48Å
86	N	36.1	Very low	34.4	Very low	121 Å²	121	128.3 Å²	128.3	65%	0.647	63%	0.628	S	S	*	*	H	α-helix	trans	-79.3	-31.6	-177.3	-105.7	-1.6	0	0	0	113.7	F88 L89 Y90	N86-F88 PolarHBondContact O-N 3.42Å; N86-L89 PolarHBondContact O-N 3.48Å; N86-L89 VanDerWaalsContact O-N 3.15Å; N86-Y90 PolarHBondContact O-N 3.15Å
87	T	36.3	Very low	34.4	Very low	78 Å²	78	127.8 Å²	127.8	48%	0.479	62%	0.62	S	S	.	*	H	α-helix	trans	-61	-38	174	-40.7	0	0	0	0	110.8	F83 L89 Y90 T91	F83-T87 PolarHBondContact O-OG1 2.74Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.31Å; T87-Y90 PolarHBondContact O-N 3.06Å; T87-T91 WeakPolarHBondContact O-CG2 3.25Å; T87-T91 PolarHBondContact O-N 3.34Å; T87-T91 PolarHBondContact O-OG1 3.34Å; T87-T91 VanDerWaalsContact O-OG1 3.07Å
88	F	35.3	Very low	34.6	Very low	138 Å²	138	126.3 Å²	126.3	61%	0.605	61%	0.611	S	S	*	*	H	α-helix	trans	-61.6	-37.4	174.8	-117.1	-87.1	0	0	0	112.8	S85 N86 T91 S92	S85-F88 WeakPolarHBondContact O-CB 3.48Å; N86-F88 PolarHBondContact O-N 3.42Å; F88-T91 PolarHBondContact O-OG1 3.1Å; F88-S92 WeakPolarHBondContact O-CB 3.23Å; F88-S92 PolarHBondContact O-N 3.26Å; F88-S92 PolarHBondContact O-OG 3.04Å
89	L	36.8	Very low	35	Very low	116 Å²	116	121 Å²	121	61%	0.607	60%	0.597	S	S	*	*	H	α-helix	trans	-72.8	-38.6	178.9	-68.3	175.1	0	0	0	112.3	N86 T87 S92 F93	N86-L89 PolarHBondContact O-N 3.48Å; N86-L89 VanDerWaalsContact O-N 3.15Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.31Å; L89-S92 PolarHBondContact O-N 2.99Å; L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 3.24Å
90	Y	33.1	Very low	35.1	Very low	177 Å²	177	121.3 Å²	121.3	69%	0.694	61%	0.607	S	S	*	*	H	α-helix	trans	-73.3	-37.7	178.7	-148.5	-97.3	0	0	0	112.3	N86 T87 F93 I94	N86-Y90 PolarHBondContact O-N 3.15Å; T87-Y90 PolarHBondContact O-N 3.06Å; Y90-F93 PolarHBondContact O-N 3.18Å; Y90-I94 HydrophobicContact CD1-CD1 4.17Å; Y90-I94 HydrophobicContact CE1-CD1 3.95Å; Y90-I94 PolarHBondContact O-N 3.3Å
91	T	40	Very low	35.5	Very low	81 Å²	81	115.9 Å²	115.9	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-66.5	-43.3	170.3	56.3	0	0	0	0	111.2	T87 F88 F93 I94 H95	T87-T91 WeakPolarHBondContact O-CG2 3.25Å; T87-T91 PolarHBondContact O-N 3.34Å; T87-T91 PolarHBondContact O-OG1 3.34Å; T87-T91 VanDerWaalsContact O-OG1 3.07Å; F88-T91 PolarHBondContact O-OG1 3.1Å; T91-F93 VanDerWaalsContact C-N 3.29Å; T91-F93 PolarHBondContact O-N 3.39Å; T91-I94 PolarHBondContact O-N 3.47Å; T91-H95 WeakPolarHBondContact O-CB 3.43Å; T91-H95 PolarHBondContact O-N 3.25Å
92	S	37.6	Very low	35.7	Very low	47 Å²	47	112 Å²	112	33%	0.329	59%	0.593	S	S	.	*	H	α-helix	trans	-61.1	-33.8	174	-71.8	0	0	0	0	113	F88 L89 N96	F88-S92 WeakPolarHBondContact O-CB 3.23Å; F88-S92 PolarHBondContact O-N 3.26Å; F88-S92 PolarHBondContact O-OG 3.04Å; L89-S92 PolarHBondContact O-N 2.99Å; S92-N96 WeakPolarHBondContact O-CB 3.22Å; S92-N96 PolarHBondContact O-N 2.71Å; S92-N96 PolarHBondContact O-ND2 2.93Å
93	F	33.3	Very low	35.9	Very low	152 Å²	152	113.1 Å²	113.1	67%	0.667	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-47.5	177.8	-148.2	-96.3	0	0	0	111.5	L89 Y90 T91 N96 L97	L89-F93 WeakPolarHBondContact O-CB 3.44Å; L89-F93 PolarHBondContact O-N 3.24Å; Y90-F93 PolarHBondContact O-N 3.18Å; T91-F93 VanDerWaalsContact C-N 3.29Å; T91-F93 PolarHBondContact O-N 3.39Å; F93-N96 PolarHBondContact O-N 3.37Å; F93-L97 WeakPolarHBondContact O-CB 3.38Å; F93-L97 PolarHBondContact O-N 3.4Å
94	I	41.8	Very low	36.4	Very low	86 Å²	86	113 Å²	113	44%	0.441	61%	0.608	S	S	.	*	H	α-helix	trans	-68.9	-37.4	177	-67.3	178.8	0	0	0	111.5	Y90 T91 L97 I98	Y90-I94 HydrophobicContact CD1-CD1 4.17Å; Y90-I94 HydrophobicContact CE1-CD1 3.95Å; Y90-I94 PolarHBondContact O-N 3.3Å; T91-I94 PolarHBondContact O-N 3.47Å; I94-L97 PolarHBondContact O-N 3.33Å; I94-I98 HydrophobicContact CG2-CD1 3.79Å; I94-I98 HydrophobicContact CG2-CG1 4.45Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 2.7Å
95	H	38.5	Very low	36.8	Very low	142 Å²	142	109.3 Å²	109.3	66%	0.657	61%	0.61	S	S	*	*	H	α-helix	trans	-68.3	-34.8	177.7	-155.6	-79.9	0	0	0	112.1	T91 S99	T91-H95 WeakPolarHBondContact O-CB 3.43Å; T91-H95 PolarHBondContact O-N 3.25Å; H95-S99 WeakPolarHBondContact O-CB 3.43Å; H95-S99 PolarHBondContact O-N 2.75Å
96	N	36.7	Very low	36.7	Very low	110 Å²	110	113.4 Å²	113.4	59%	0.588	63%	0.625	S	S	*	*	H	α-helix	trans	-70.1	-41	170.2	-82.2	-73.7	0	0	0	112	S92 F93 I98 S99 S100	S92-N96 WeakPolarHBondContact O-CB 3.22Å; S92-N96 PolarHBondContact O-N 2.71Å; S92-N96 PolarHBondContact O-ND2 2.93Å; F93-N96 PolarHBondContact O-N 3.37Å; N96-I98 VanDerWaalsContact C-N 3.3Å; N96-I98 PolarHBondContact O-N 2.85Å; N96-S99 PolarHBondContact O-N 2.93Å; N96-S100 WeakPolarHBondContact O-CB 3.34Å; N96-S100 PolarHBondContact O-N 2.98Å
97	L	35.5	Very low	36.7	Very low	118 Å²	118	113.8 Å²	113.8	62%	0.618	64%	0.635	S	S	*	*	H	α-helix	trans	-61.4	-39.5	178	-150.1	76.1	0	0	0	111.9	F93 I94 C101	F93-L97 WeakPolarHBondContact O-CB 3.38Å; F93-L97 PolarHBondContact O-N 3.4Å; I94-L97 PolarHBondContact O-N 3.33Å; L97-C101 PolarHBondContact O-SG 3.1Å
98	I	39.7	Very low	36.7	Very low	114 Å²	114	114.7 Å²	114.7	59%	0.585	64%	0.644	S	S	*	*	H	α-helix	trans	-72.6	-42.5	174.4	-66.7	170.3	0	0	0	111.1	I94 N96 S100 C101	I94-I98 HydrophobicContact CG2-CD1 3.79Å; I94-I98 HydrophobicContact CG2-CG1 4.45Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 2.7Å; N96-I98 VanDerWaalsContact C-N 3.3Å; N96-I98 PolarHBondContact O-N 2.85Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 2.68Å; I98-C101 PolarHBondContact O-N 3.12Å
99	S	38.2	Very low	36.6	Very low	74 Å²	74	113.2 Å²	113.2	52%	0.517	64%	0.642	S	S	.	*	H	α-helix	trans	-66.3	-26.3	179.1	-167.8	0	0	0	0	113.3	H95 N96 C101	H95-S99 WeakPolarHBondContact O-CB 3.43Å; H95-S99 PolarHBondContact O-N 2.75Å; N96-S99 PolarHBondContact O-N 2.93Å; S99-C101 PolarHBondContact O-N 3.01Å
100	S	35	Very low	36.6	Very low	99 Å²	99	115.5 Å²	115.5	69%	0.692	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-7.5	178.3	-167.7	0	0	0	0	114.1	N96 I98	N96-S100 WeakPolarHBondContact O-CB 3.34Å; N96-S100 PolarHBondContact O-N 2.98Å; I98-S100 VanDerWaalsContact C-N 3.26Å; I98-S100 PolarHBondContact O-N 2.68Å
101	C	36.6	Very low	36.7	Very low	106 Å²	106	110.3 Å²	110.3	72%	0.716	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-1	-175.7	-62.3	0	0	0	0	114.2	L97 I98 S99	L97-C101 PolarHBondContact O-SG 3.1Å; I98-C101 PolarHBondContact O-N 3.12Å; S99-C101 PolarHBondContact O-N 3.01Å
102	C	33.7	Very low	36.3	Very low	95 Å²	95	112.9 Å²	112.9	64%	0.642	65%	0.651	S	S	*	*			trans	-123.4	37.4	-171.7	-70.7	0	0	0	0	114.3	N104	C102-N104 PolarHBondContact O-N 2.67Å; C102-N104 VanDerWaalsContact O-N 3.11Å
103	S	36.3	Very low	36.1	Very low	108 Å²	108	117.2 Å²	117.2	76%	0.755	66%	0.664	S	S	*	*			trans	-82.2	48.6	167.4	-58.9	0	0	0	0	112.3
104	N	39	Very low	36.4	Very low	158 Å²	158	112.1 Å²	112.1	85%	0.845	65%	0.65	S	S	*	*	S	Bend	trans	-169.3	161.9	161.4	-98.1	-32.8	0	0	0	111.4	C102	C102-N104 PolarHBondContact O-N 2.67Å; C102-N104 VanDerWaalsContact O-N 3.11Å
105	S	38.9	Very low	36	Very low	105 Å²	105	114 Å²	114	73%	0.734	66%	0.656	S	S	*	*			trans	-88.6	143.2	-162	47.8	0	0	0	0	115.9
106	L	33.1	Very low	35.8	Very low	156 Å²	156	112.7 Å²	112.7	82%	0.817	65%	0.654	S	S	*	*			trans	174.4	132.8	138.9	-96.7	158.9	0	0	0	111.7
107	P	34.5	Very low	35.7	Very low	130 Å²	130	113.8 Å²	113.8	84%	0.844	66%	0.655	S	S	*	*	S	Bend	trans	-104.4	40.4	-165.5	41.2	-37.7	0	0	0	116.4
108	S	37.7	Very low	36	Very low	96 Å²	96	113 Å²	113	67%	0.671	65%	0.648	S	S	*	*	S	Bend	trans	-111.9	-14.7	177.4	65.3	0	0	0	0	115.7	H110	S108-H110 VanDerWaalsContact C-N 3.31Å; S108-H110 PolarHBondContact O-N 3.41Å
109	L	33.2	Very low	35.9	Very low	107 Å²	107	111.8 Å²	111.8	56%	0.56	65%	0.646	S	S	*	*	S	Bend	trans	-85.5	5.9	-170.9	-136.8	106.1	0	0	0	115.1	K113	L109-K113 HydrophobicContact CD2-CD 4.14Å
110	H	35.4	Very low	35.7	Very low	165 Å²	165	113.4 Å²	113.4	76%	0.764	65%	0.649	S	S	*	*	H	α-helix	trans	-82.3	-36.9	-170.2	-147.9	80.7	0	0	0	113.1	S108 K113 A114	S108-H110 VanDerWaalsContact C-N 3.31Å; S108-H110 PolarHBondContact O-N 3.41Å; H110-K113 PolarHBondContact O-N 3.31Å; H110-A114 PolarHBondContact O-N 2.79Å; H110-A114 VanDerWaalsContact O-N 3.15Å
111	A	35.8	Very low	35.9	Very low	67 Å²	67	111.4 Å²	111.4	55%	0.554	63%	0.632	S	S	*	*	H	α-helix	trans	-64.8	-56.6	-177	0	0	0	0	0	112.7	K113 A114 E115	A111-K113 PolarHBondContact O-N 2.69Å; A111-A114 WeakPolarHBondContact O-CB 3.36Å; A111-A114 PolarHBondContact O-N 3.09Å; A111-E115 PolarHBondContact O-N 3.03Å
112	M	31.4	Very low	35.8	Very low	136 Å²	136	110 Å²	110	67%	0.67	61%	0.612	S	S	*	*	H	α-helix	trans	-61.4	-28.5	179.3	-76.9	-178.9	-86.6	0	0	113.2	L116	M112-L116 WeakPolarHBondContact O-CB 3.2Å; M112-L116 PolarHBondContact O-N 3.05Å; M112-L116 VanDerWaalsContact O-N 3.17Å
113	K	33.8	Very low	36	Very low	138 Å²	138	106.6 Å²	106.6	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-71.1	-33.9	173	-83.9	-176.4	170.2	175.7	0	112.5	L109 H110 A111 H117	L109-K113 HydrophobicContact CD2-CD 4.14Å; H110-K113 PolarHBondContact O-N 3.31Å; A111-K113 PolarHBondContact O-N 2.69Å; K113-H117 WeakPolarHBondContact O-CB 3.44Å; K113-H117 PolarHBondContact O-N 3.26Å; K113-H117 VanDerWaalsContact O-N 3.17Å
114	A	38.6	Very low	36.3	Very low	45 Å²	45	105.7 Å²	105.7	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-65.7	-51.1	174.8	0	0	0	0	0	111.2	H110 A111 L116 H117 Q118	H110-A114 PolarHBondContact O-N 2.79Å; H110-A114 VanDerWaalsContact O-N 3.15Å; A111-A114 WeakPolarHBondContact O-CB 3.36Å; A111-A114 PolarHBondContact O-N 3.09Å; A114-L116 PolarHBondContact O-N 3.46Å; A114-H117 PolarHBondContact O-N 2.84Å; A114-Q118 WeakPolarHBondContact O-CB 3.39Å; A114-Q118 WeakPolarHBondContact O-CG 3.41Å; A114-Q118 PolarHBondContact O-N 2.96Å
115	E	34.1	Very low	36.6	Very low	124 Å²	124	104 Å²	104	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-62.5	-44.2	-178.6	-65.2	-179.7	121.8	0	0	112.7	A111 H117 Q118 T119	A111-E115 PolarHBondContact O-N 3.03Å; E115-H117 VanDerWaalsContact C-N 3.35Å; E115-H117 PolarHBondContact O-N 3.3Å; E115-Q118 PolarHBondContact O-N 3.08Å; E115-T119 WeakPolarHBondContact O-CB 3.48Å; E115-T119 WeakPolarHBondContact O-CG2 3.37Å; E115-T119 PolarHBondContact O-N 3.01Å; E115-T119 PolarHBondContact O-OG1 2.84Å
116	L	33.6	Very low	37.1	Very low	115 Å²	115	100.3 Å²	100.3	60%	0.602	53%	0.534	S	S	*	.	H	α-helix	trans	-67.8	-35.8	179.4	-165.1	70	0	0	0	111.9	M112 A114 T119 L120	M112-L116 WeakPolarHBondContact O-CB 3.2Å; M112-L116 PolarHBondContact O-N 3.05Å; M112-L116 VanDerWaalsContact O-N 3.17Å; A114-L116 PolarHBondContact O-N 3.46Å; L116-T119 WeakPolarHBondContact CA-OG1 3.32Å; L116-T119 PolarHBondContact O-OG1 3.14Å; L116-L120 HydrophobicContact CG-CD1 4.2Å; L116-L120 WeakPolarHBondContact O-CB 3.46Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.41Å; L116-L120 VanDerWaalsContact O-N 3.16Å
117	H	36.2	Very low	38	Very low	133 Å²	133	98.1 Å²	98.1	62%	0.616	52%	0.518	S	S	*	.	H	α-helix	trans	-73.5	-38.3	177	-166.6	-114	0	0	0	112.1	K113 A114 E115 T121	K113-H117 WeakPolarHBondContact O-CB 3.44Å; K113-H117 PolarHBondContact O-N 3.26Å; K113-H117 VanDerWaalsContact O-N 3.17Å; A114-H117 PolarHBondContact O-N 2.84Å; E115-H117 VanDerWaalsContact C-N 3.35Å; E115-H117 PolarHBondContact O-N 3.3Å; H117-T121 WeakPolarHBondContact O-CB 3.27Å; H117-T121 VanDerWaalsContact O-CG2 3.28Å; H117-T121 WeakPolarHBondContact O-CG2 3.2Å; H117-T121 PolarHBondContact O-N 2.78Å; H117-T121 PolarHBondContact O-OG1 3.33Å
118	Q	40.8	Very low	38.5	Very low	102 Å²	102	96.8 Å²	96.8	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-48.5	173.5	-77.2	173.3	-20.9	0	0	111.7	A114 E115 T121 W122	A114-Q118 WeakPolarHBondContact O-CB 3.39Å; A114-Q118 WeakPolarHBondContact O-CG 3.41Å; A114-Q118 PolarHBondContact O-N 2.96Å; E115-Q118 PolarHBondContact O-N 3.08Å; Q118-T121 PolarHBondContact O-N 3Å; Q118-T121 PolarHBondContact O-OG1 3.08Å; Q118-T121 VanDerWaalsContact O-OG1 3.08Å; Q118-W122 VanDerWaalsContact O-CB 3.32Å; Q118-W122 WeakPolarHBondContact O-CB 3.35Å; Q118-W122 PolarHBondContact O-N 3.36Å
119	T	37.9	Very low	39.3	Very low	88 Å²	88	94.8 Å²	94.8	54%	0.54	50%	0.498	S	S	.	.	H	α-helix	trans	-63.9	-43.2	-179.5	47.9	0	0	0	0	113.2	E115 L116 W122 S123	E115-T119 WeakPolarHBondContact O-CB 3.48Å; E115-T119 WeakPolarHBondContact O-CG2 3.37Å; E115-T119 PolarHBondContact O-N 3.01Å; E115-T119 PolarHBondContact O-OG1 2.84Å; L116-T119 WeakPolarHBondContact CA-OG1 3.32Å; L116-T119 PolarHBondContact O-OG1 3.14Å; T119-W122 PolarHBondContact O-N 3.49Å; T119-S123 PolarHBondContact O-N 2.84Å
120	L	34.6	Very low	40.5	Very low	109 Å²	109	91.1 Å²	91.1	57%	0.571	48%	0.479	S	S	*	.	H	α-helix	trans	-65.6	-43.4	175.6	-74.5	169.5	0	0	0	112.4	L116 S123 C124	L116-L120 HydrophobicContact CG-CD1 4.2Å; L116-L120 WeakPolarHBondContact O-CB 3.46Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 3.41Å; L116-L120 VanDerWaalsContact O-N 3.16Å; L120-S123 PolarHBondContact O-N 3.3Å; L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.1Å; L120-C124 VanDerWaalsContact O-N 3.11Å
121	T	37.9	Very low	41.8	Very low	57 Å²	57	85.2 Å²	85.2	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-67.6	-34.7	177.1	53.4	0	0	0	0	112.2	H117 Q118 R125	H117-T121 WeakPolarHBondContact O-CB 3.27Å; H117-T121 VanDerWaalsContact O-CG2 3.28Å; H117-T121 WeakPolarHBondContact O-CG2 3.2Å; H117-T121 PolarHBondContact O-N 2.78Å; H117-T121 PolarHBondContact O-OG1 3.33Å; Q118-T121 PolarHBondContact O-N 3Å; Q118-T121 PolarHBondContact O-OG1 3.08Å; Q118-T121 VanDerWaalsContact O-OG1 3.08Å; T121-R125 WeakPolarHBondContact O-CB 3.43Å; T121-R125 WeakPolarHBondContact O-CG 3.45Å; T121-R125 PolarHBondContact O-N 2.83Å
122	W	34.3	Very low	42.7	Very low	76 Å²	76	89.3 Å²	89.3	29%	0.288	47%	0.468	S	S	.	.	H	α-helix	trans	-62.6	-50.9	171.9	-95.5	52.3	0	0	0	112.9	Q118 T119 C124 R125 K126	Q118-W122 VanDerWaalsContact O-CB 3.32Å; Q118-W122 WeakPolarHBondContact O-CB 3.35Å; Q118-W122 PolarHBondContact O-N 3.36Å; T119-W122 PolarHBondContact O-N 3.49Å; W122-C124 VanDerWaalsContact C-N 3.35Å; W122-C124 PolarHBondContact O-N 3.39Å; W122-R125 PolarHBondContact O-N 2.81Å; W122-K126 WeakPolarHBondContact O-CG 3.36Å; W122-K126 PolarHBondContact O-N 3.11Å
123	S	39.4	Very low	44.3	Very low	24 Å²	24	84.1 Å²	84.1	17%	0.168	45%	0.445	C	S	.	.	H	α-helix	trans	-63.7	-40.1	-179.3	-170.1	0	0	0	0	111.5	T119 L120 K126 K127 E144	T119-S123 PolarHBondContact O-N 2.84Å; L120-S123 PolarHBondContact O-N 3.3Å; S123-K126 PolarHBondContact O-N 3.07Å; S123-K127 WeakPolarHBondContact O-CB 3.4Å; S123-K127 WeakPolarHBondContact O-CG 3.28Å; S123-K127 PolarHBondContact O-N 2.78Å; S123-K127 PolarHBondContact OG-NZ 2.72Å; S123-E144 PolarHBondContact OG-OE1 2.8Å
124	C	41.8	Very low	46.1	Very low	89 Å²	89	77.8 Å²	77.8	60%	0.601	42%	0.418	S	S	*	.	H	α-helix	trans	-62.7	-41.6	172.7	-77.1	0	0	0	0	113.1	L120 W122 K127 S128	L120-C124 WeakPolarHBondContact O-CB 3.46Å; L120-C124 PolarHBondContact O-N 3.1Å; L120-C124 VanDerWaalsContact O-N 3.11Å; W122-C124 VanDerWaalsContact C-N 3.35Å; W122-C124 PolarHBondContact O-N 3.39Å; C124-K127 PolarHBondContact O-N 3.28Å; C124-S128 PolarHBondContact O-N 2.94Å
125	R	46.1	Very low	47.8	Very low	122 Å²	122	78.5 Å²	78.5	46%	0.46	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-47.2	174.6	-79.5	-178.4	178.1	-154.5	2.4	112	T121 W122 K127 S128 E194 C197	T121-R125 WeakPolarHBondContact O-CB 3.43Å; T121-R125 WeakPolarHBondContact O-CG 3.45Å; T121-R125 PolarHBondContact O-N 2.83Å; W122-R125 PolarHBondContact O-N 2.81Å; R125-K127 VanDerWaalsContact C-N 3.33Å; R125-K127 PolarHBondContact O-N 2.69Å; R125-S128 WeakPolarHBondContact O-CB 3.31Å; R125-S128 PolarHBondContact O-N 3Å; R125-S128 PolarHBondContact O-OG 2.9Å; R125-E194 PolarHBondContact NH1-O 3.13Å; R125-C197 HydrophobicContact CB-CB 4.48Å
126	K	49.2	Very low	49.6	Very low	27 Å²	27	73.6 Å²	73.6	12%	0.117	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-41	177	-69.2	178.9	-172	177.4	0	112.5	W122 S123 S128 S129 L202	W122-K126 WeakPolarHBondContact O-CG 3.36Å; W122-K126 PolarHBondContact O-N 3.11Å; S123-K126 PolarHBondContact O-N 3.07Å; K126-S128 VanDerWaalsContact C-N 3.26Å; K126-S128 PolarHBondContact O-N 3.09Å; K126-S129 PolarHBondContact O-N 2.86Å; K126-S129 PolarHBondContact O-OG 2.95Å; K126-L202 HydrophobicContact CD-CD1 3.96Å; K126-L202 HydrophobicContact CD-CD2 4.46Å; K126-L202 HydrophobicContact CD-CG 4.27Å
127	K	51.5	Low	51.4	Low	110 Å²	110	74.8 Å²	74.8	48%	0.478	39%	0.387	S	S	.	.	H	α-helix	trans	-66.1	-25.5	176.5	-75.3	162.2	179.7	151	0	112.9	S123 C124 R125 I136 E144	S123-K127 WeakPolarHBondContact O-CB 3.4Å; S123-K127 WeakPolarHBondContact O-CG 3.28Å; S123-K127 PolarHBondContact O-N 2.78Å; S123-K127 PolarHBondContact OG-NZ 2.72Å; C124-K127 PolarHBondContact O-N 3.28Å; R125-K127 VanDerWaalsContact C-N 3.33Å; R125-K127 PolarHBondContact O-N 2.69Å; K127-I136 HydrophobicContact CG-CD1 4.09Å; K127-E144 IonicContact NZ-OE1 3.31Å
128	S	45.2	Very low	52.6	Low	102 Å²	102	74.4 Å²	74.4	71%	0.713	39%	0.386	S	S	*	.	H	α-helix	trans	-77	-20.1	178.3	77.9	0	0	0	0	115	C124 R125 K126	C124-S128 PolarHBondContact O-N 2.94Å; R125-S128 WeakPolarHBondContact O-CB 3.31Å; R125-S128 PolarHBondContact O-N 3Å; R125-S128 PolarHBondContact O-OG 2.9Å; K126-S128 VanDerWaalsContact C-N 3.26Å; K126-S128 PolarHBondContact O-N 3.09Å
129	S	55.2	Low	53.4	Low	54 Å²	54	72.4 Å²	72.4	38%	0.378	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.3	178.5	64.3	0	0	0	0	113.9	K126 C197 W199	K126-S129 PolarHBondContact O-N 2.86Å; K126-S129 PolarHBondContact O-OG 2.95Å; S129-C197 PolarHBondContact OG-O 2.92Å; S129-W199 PolarHBondContact O-NE1 2.92Å
130	L	57.4	Low	53.8	Low	31 Å²	31	70.5 Å²	70.5	16%	0.162	38%	0.379	C	S	.	.	S	Bend	trans	-78.8	126.6	-175.1	-170	71.1	0	0	0	112.2	L134 I136 V146 W199	L130-L134 HydrophobicContact CD1-CB 3.83Å; L130-L134 HydrophobicContact CD1-CD1 4.28Å; L130-L134 HydrophobicContact CD2-CB 4.46Å; L130-L134 WeakPolarHBondContact CD2-O 3.09Å; L130-L134 HydrophobicContact CG-CB 4.08Å; L130-I136 HydrophobicContact CD1-CD1 4.35Å; L130-I136 HydrophobicContact CD1-CG1 4.23Å; L130-I136 HydrophobicContact CD2-CD1 4.08Å; L130-I136 HydrophobicContact CD2-CG1 3.92Å; L130-V146 HydrophobicContact CD1-CG1 4.12Å; L130-W199 HydrophobicContact CD1-CB 3.93Å; L130-W199 HydrophobicContact CD1-CD2 3.78Å; L130-W199 HydrophobicContact CD1-CE3 3.97Å; L130-W199 HydrophobicContact CD1-CG 3.77Å
131	P	63	Low	54	Low	40 Å²	40	74.6 Å²	74.6	26%	0.26	39%	0.394	S	S	.	.			trans	-63.4	138.8	173.7	-23.3	32.6	0	0	0	113.2	S133 L134 F158 W199	P131-S133 PolarHBondContact O-N 3.14Å; P131-L134 HydrophobicContact CG-CD1 4.4Å; P131-L134 PolarHBondContact O-N 2.8Å; P131-F158 HydrophobicContact CG-CD1 4.46Å; P131-F158 HydrophobicContact CG-CE1 4.44Å; P131-W199 HydrophobicContact CG-CZ2 4.01Å
132	N	55.6	Low	54.3	Low	153 Å²	153	82.9 Å²	82.9	82%	0.818	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	0.9	-179.8	-53.1	24.1	0	0	0	116.3
133	S	64.4	Low	55.1	Low	27 Å²	27	84.4 Å²	84.4	19%	0.189	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.2	171.5	55.4	0	0	0	0	113.4	P131 L149 R150	P131-S133 PolarHBondContact O-N 3.14Å; S133-L149 PolarHBondContact O-N 2.9Å; S133-R150 PolarHBondContact O-N 3.34Å
134	L	72.1	Confident	56.4	Low	6 Å²	6	85.8 Å²	85.8	3%	0.031	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157.1	-172.8	-56.5	-179.6	0	0	0	111.9	L130 P131 V146 F147 V148 L149 L152 W199 L237	L130-L134 HydrophobicContact CD1-CB 3.83Å; L130-L134 HydrophobicContact CD1-CD1 4.28Å; L130-L134 HydrophobicContact CD2-CB 4.46Å; L130-L134 WeakPolarHBondContact CD2-O 3.09Å; L130-L134 HydrophobicContact CG-CB 4.08Å; P131-L134 HydrophobicContact CG-CD1 4.4Å; P131-L134 PolarHBondContact O-N 2.8Å; L134-V146 HydrophobicContact CB-CG1 4.23Å; L134-V146 HydrophobicContact CD1-CG1 4.25Å; L134-F147 CarbonylContact C-O 3.51Å; L134-F147 WeakPolarHBondContact CA-O 3.47Å; L134-V148 HydrophobicContact CD2-CB 4.38Å; L134-V148 HydrophobicContact CD2-CG2 3.89Å; L134-L149 WeakPolarHBondContact O-CD1 3.42Å; L134-L152 HydrophobicContact CD2-CD1 4.18Å; L134-W199 HydrophobicContact CD1-CE3 4.19Å; L134-W199 HydrophobicContact CD1-CH2 3.3Å; L134-W199 HydrophobicContact CD1-CZ2 3.85Å; L134-W199 HydrophobicContact CD1-CZ3 3.51Å; L134-L237 HydrophobicContact CD1-CD1 3.72Å; L134-L237 HydrophobicContact CD2-CD1 3.65Å; L134-L237 HydrophobicContact CD2-CG 4.32Å; L134-L237 HydrophobicContact CG-CD1 4.34Å
135	E	73.3	Confident	57.8	Low	59 Å²	59	81.5 Å²	81.5	28%	0.276	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.8	175.1	174.8	173.6	-92.4	0	0	109.5	R137 V146 F147 L149	E135-R137 IonicContact OE2-CZ 2.69Å; E135-R137 VanDerWaalsContact OE2-CZ 3.29Å; E135-R137 IonicContact OE2-NE 3.01Å; E135-R137 PolarHBondContact OE2-NE 3.08Å; E135-R137 IonicContact OE2-NH2 2.79Å; E135-R137 PolarHBondContact OE2-NH2 2.67Å; E135-V146 CarbonylContact O-C 3.46Å; E135-V146 WeakPolarHBondContact O-CA 3.49Å; E135-F147 PolarHBondContact N-O 2.96Å; E135-F147 PolarHBondContact O-N 2.94Å; E135-L149 HydrophobicContact CB-CD1 4.01Å; E135-L149 HydrophobicContact CB-CD2 3.78Å; E135-L149 HydrophobicContact CB-CG 3.72Å
136	I	71.9	Confident	59.3	Low	22 Å²	22	75.7 Å²	75.7	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.4	165.1	-65.5	159.3	0	0	0	107.1	K127 L130 E144 G145 V146 L202	K127-I136 HydrophobicContact CG-CD1 4.09Å; L130-I136 HydrophobicContact CD1-CD1 4.35Å; L130-I136 HydrophobicContact CD1-CG1 4.23Å; L130-I136 HydrophobicContact CD2-CD1 4.08Å; L130-I136 HydrophobicContact CD2-CG1 3.92Å; I136-E144 HydrophobicContact CG2-CB 3.79Å; I136-E144 HydrophobicContact CG2-CG 3.99Å; I136-G145 WeakPolarHBondContact CA-O 3.4Å; I136-V146 HydrophobicContact CG1-CG2 4.3Å; I136-L202 HydrophobicContact CD1-CD1 3.82Å; I136-L202 HydrophobicContact CG1-CD1 4.07Å; I136-L202 HydrophobicContact CG2-CD1 3.88Å
137	R	71.1	Confident	60.6	Low	140 Å²	140	76.1 Å²	76.1	53%	0.528	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.5	-178.7	-175.8	178.8	-67.3	-146.7	-3.3	109.3	E135 G145 F147	E135-R137 IonicContact OE2-CZ 2.69Å; E135-R137 VanDerWaalsContact OE2-CZ 3.29Å; E135-R137 IonicContact OE2-NE 3.01Å; E135-R137 PolarHBondContact OE2-NE 3.08Å; E135-R137 IonicContact OE2-NH2 2.79Å; E135-R137 PolarHBondContact OE2-NH2 2.67Å; R137-G145 PolarHBondContact N-O 2.96Å; R137-G145 PolarHBondContact O-N 2.96Å; R137-F147 HydrophobicContact CB-CD2 3.77Å; R137-F147 HydrophobicContact CB-CE2 3.94Å
138	E	61.8	Low	61.9	Low	125 Å²	125	71 Å²	71	58%	0.584	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.6	172.8	-168.1	177	172.8	0	0	110.2	R142 E143	E138-R142 VanDerWaalsContact OE1-CA 3.26Å; E138-R142 WeakPolarHBondContact OE1-CA 3.43Å; E138-R142 PolarHBondContact OE1-N 2.88Å; E138-E143 WeakPolarHBondContact CA-O 3.32Å
139	V	58	Low	63	Low	59 Å²	59	70.1 Å²	70.1	36%	0.358	35%	0.349	S	S	.	.			trans	-129.2	64.5	-175.9	-167.9	0	0	0	0	109.4	E143 F147 R204	V139-E143 PolarHBondContact N-O 3.49Å; V139-F147 HydrophobicContact CG2-CE2 3.45Å; V139-F147 VanDerWaalsContact CG2-CE2 3.45Å; V139-F147 HydrophobicContact CG2-CZ 3.6Å; V139-R204 PolarHBondContact O-NH2 2.89Å
140	G	45.1	Very low	63.5	Low	49 Å²	49	76.1 Å²	76.1	51%	0.505	36%	0.363	S	S	.	.	S	Bend	trans	82.5	141.2	176.9	0	0	0	0	0	114.1	R142 E143	G140-R142 PolarHBondContact O-N 2.8Å; G140-R142 VanDerWaalsContact O-N 3.09Å; G140-E143 PolarHBondContact O-N 2.86Å
141	H	38.8	Very low	64.2	Low	194 Å²	194	81.9 Å²	81.9	90%	0.898	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.9	49.1	164.2	-111.7	-77.9	0	0	0	116.1
142	R	45.8	Very low	64.6	Low	231 Å²	231	80.4 Å²	80.4	87%	0.872	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	15.1	177.2	-51.7	-178.1	173	-168.1	-2.4	116.8	E138 G140	E138-R142 VanDerWaalsContact OE1-CA 3.26Å; E138-R142 WeakPolarHBondContact OE1-CA 3.43Å; E138-R142 PolarHBondContact OE1-N 2.88Å; G140-R142 PolarHBondContact O-N 2.8Å; G140-R142 VanDerWaalsContact O-N 3.09Å
143	E	50.7	Low	65.5	Low	109 Å²	109	77.1 Å²	77.1	51%	0.509	36%	0.358	S	S	.	.			trans	-95	115.9	171.6	-70.4	-166.5	-172.6	0	0	113	E138 V139 G140 R204	E138-E143 WeakPolarHBondContact CA-O 3.32Å; V139-E143 PolarHBondContact N-O 3.49Å; G140-E143 PolarHBondContact O-N 2.86Å; E143-R204 VanDerWaalsContact CB-NH2 3.3Å; E143-R204 IonicContact OE2-CZ 3.96Å; E143-R204 VanDerWaalsContact OE2-CZ 3.28Å; E143-R204 IonicContact OE2-NE 2.75Å; E143-R204 PolarHBondContact OE2-NE 2.98Å; E143-R204 IonicContact OE2-NH2 3.12Å; E143-R204 PolarHBondContact OE2-NH2 3.12Å
144	E	67	Low	65.8	Low	52 Å²	52	81.3 Å²	81.3	24%	0.243	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127	168	-73.6	-176	143.1	0	0	110.9	S123 K127 I136 L202	S123-E144 PolarHBondContact OG-OE1 2.8Å; K127-E144 IonicContact NZ-OE1 3.31Å; I136-E144 HydrophobicContact CG2-CB 3.79Å; I136-E144 HydrophobicContact CG2-CG 3.99Å; E144-L202 HydrophobicContact CB-CD1 3.99Å; E144-L202 HydrophobicContact CB-CD2 3.97Å; E144-L202 HydrophobicContact CB-CG 4.5Å; E144-L202 WeakPolarHBondContact OE2-CD1 3.42Å
145	G	70.6	Confident	65.5	Low	0 Å²	0	90.8 Å²	90.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	154.6	174.1	0	0	0	0	0	112.8	I136 R137	I136-G145 WeakPolarHBondContact CA-O 3.4Å; R137-G145 PolarHBondContact N-O 2.96Å; R137-G145 PolarHBondContact O-N 2.96Å
146	V	77.4	Confident	65.4	Low	0 Å²	0	90.2 Å²	90.2	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.9	-175.8	-167.8	0	0	0	0	111.9	L130 L134 E135 I136 W199 L202 V203 L237	L130-V146 HydrophobicContact CD1-CG1 4.12Å; L134-V146 HydrophobicContact CB-CG1 4.23Å; L134-V146 HydrophobicContact CD1-CG1 4.25Å; E135-V146 CarbonylContact O-C 3.46Å; E135-V146 WeakPolarHBondContact O-CA 3.49Å; I136-V146 HydrophobicContact CG1-CG2 4.3Å; V146-W199 HydrophobicContact CG1-CE3 3.98Å; V146-W199 HydrophobicContact CG1-CZ3 4.05Å; V146-W199 HydrophobicContact CG2-CE3 4.2Å; V146-L202 HydrophobicContact CG2-CB 3.66Å; V146-V203 HydrophobicContact CB-CG2 4.02Å; V146-V203 HydrophobicContact CG2-CG2 3.73Å; V146-L237 HydrophobicContact CG1-CD1 4.02Å; V146-L237 PolarHBondContact O-N 2.96Å
147	F	77.2	Confident	65.3	Low	36 Å²	36	95.7 Å²	95.7	16%	0.158	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	156.8	-177.1	-69.9	-99.4	0	0	0	112.1	L134 E135 R137 V139 T235 E236	L134-F147 CarbonylContact C-O 3.51Å; L134-F147 WeakPolarHBondContact CA-O 3.47Å; E135-F147 PolarHBondContact N-O 2.96Å; E135-F147 PolarHBondContact O-N 2.94Å; R137-F147 HydrophobicContact CB-CD2 3.77Å; R137-F147 HydrophobicContact CB-CE2 3.94Å; V139-F147 HydrophobicContact CG2-CE2 3.45Å; V139-F147 VanDerWaalsContact CG2-CE2 3.45Å; V139-F147 HydrophobicContact CG2-CZ 3.6Å; F147-T235 WeakPolarHBondContact CA-O 3.43Å; F147-E236 HydrophobicContact CD1-CB 3.99Å; F147-E236 HydrophobicContact CE1-CB 3.65Å; F147-E236 HydrophobicContact CE1-CG 4.09Å; F147-E236 HydrophobicContact CE2-CG 4.17Å; F147-E236 HydrophobicContact CZ-CB 3.99Å; F147-E236 HydrophobicContact CZ-CG 3.9Å
148	V	78	Confident	65.4	Low	1 Å²	1	90 Å²	90	1%	0.006	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	177	177.4	0	0	0	0	110.7	L134 R150 L152 V231 P233 G234 T235 L237	L134-V148 HydrophobicContact CD2-CB 4.38Å; L134-V148 HydrophobicContact CD2-CG2 3.89Å; V148-R150 WeakPolarHBondContact CG1-O 3.46Å; V148-L152 HydrophobicContact CG1-CD1 4.46Å; V148-L152 HydrophobicContact CG1-CG 4.02Å; V148-L152 HydrophobicContact CG2-CD1 3.87Å; V148-L152 HydrophobicContact CG2-CG 4.32Å; V148-V231 HydrophobicContact CB-CG1 4.4Å; V148-V231 HydrophobicContact CG2-CB 4.3Å; V148-V231 HydrophobicContact CG2-CG1 3.69Å; V148-P233 CarbonylContact O-C 3.24Å; V148-P233 VanDerWaalsContact O-CA 3.28Å; V148-P233 WeakPolarHBondContact O-CA 3.15Å; V148-G234 PolarHBondContact O-N 3.39Å; V148-T235 PolarHBondContact N-O 3.21Å; V148-L237 HydrophobicContact CG2-CD2 3.57Å; V148-L237 HydrophobicContact CG2-CG 3.92Å
149	L	68.1	Low	65.6	Low	84 Å²	84	85.6 Å²	85.6	44%	0.44	40%	0.395	S	S	.	.	S	Bend	trans	-85.2	-32.8	171	-70.2	177	0	0	0	112.8	S133 L134 E135	S133-L149 PolarHBondContact O-N 2.9Å; L134-L149 WeakPolarHBondContact O-CD1 3.42Å; E135-L149 HydrophobicContact CB-CD1 4.01Å; E135-L149 HydrophobicContact CB-CD2 3.78Å; E135-L149 HydrophobicContact CB-CG 3.72Å
150	R	66.6	Low	65.5	Low	180 Å²	180	86.3 Å²	86.3	68%	0.679	40%	0.401	S	S	*	.	S	Bend	trans	-134	132.5	-175.9	-62.2	-175.1	-180	-149.7	-3.5	110.3	S133 V148 L152	S133-R150 PolarHBondContact O-N 3.34Å; V148-R150 WeakPolarHBondContact CG1-O 3.46Å; R150-L152 PolarHBondContact O-N 3.17Å; R150-L152 VanDerWaalsContact O-N 3.14Å
151	R	71.8	Confident	66.3	Low	152 Å²	152	85.9 Å²	85.9	57%	0.574	39%	0.386	S	S	*	.			trans	-45.8	118.4	-173.2	178.6	179	171.8	171.5	-2.2	111.7	D230 V231	R151-D230 IonicContact CZ-OD2 2.88Å; R151-D230 IonicContact NE-OD2 3.8Å; R151-D230 PolarHBondContact NE-OD2 2.84Å; R151-D230 IonicContact NH2-OD2 2.75Å; R151-D230 PolarHBondContact NH2-OD2 2.85Å; R151-V231 CarbonylContact C-O 3.46Å; R151-V231 VanDerWaalsContact CA-O 3.31Å; R151-V231 WeakPolarHBondContact CA-O 3.26Å
152	L	72.2	Confident	66.7	Low	9 Å²	9	83.3 Å²	83.3	5%	0.047	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-87.7	134	172.6	-58.6	177.8	0	0	0	109.4	L134 V148 R150 T156 F158 T227 D230 V231 L237	L134-L152 HydrophobicContact CD2-CD1 4.18Å; V148-L152 HydrophobicContact CG1-CD1 4.46Å; V148-L152 HydrophobicContact CG1-CG 4.02Å; V148-L152 HydrophobicContact CG2-CD1 3.87Å; V148-L152 HydrophobicContact CG2-CG 4.32Å; R150-L152 PolarHBondContact O-N 3.17Å; R150-L152 VanDerWaalsContact O-N 3.14Å; L152-T156 HydrophobicContact CD2-CG2 4.49Å; L152-F158 HydrophobicContact CD1-CE2 4.28Å; L152-F158 HydrophobicContact CD1-CZ 3.9Å; L152-F158 HydrophobicContact CD2-CZ 4.24Å; L152-T227 HydrophobicContact CB-CG2 4.04Å; L152-T227 HydrophobicContact CD1-CG2 3.93Å; L152-D230 CarbonylContact O-C 3.27Å; L152-D230 WeakPolarHBondContact O-CA 3.43Å; L152-V231 HydrophobicContact CB-CB 4.28Å; L152-V231 PolarHBondContact N-O 3.02Å; L152-V231 PolarHBondContact O-N 2.84Å; L152-L237 HydrophobicContact CD1-CD2 4.1Å
153	V	73.8	Confident	66.9	Low	85 Å²	85	72.6 Å²	72.6	52%	0.515	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-84.3	147	175.1	-176.8	0	0	0	0	109	R155 T156 T227	V153-R155 PolarHBondContact O-N 3.23Å; V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 PolarHBondContact O-N 2.93Å; V153-T156 VanDerWaalsContact O-N 3.08Å; V153-T156 PolarHBondContact O-OG1 2.89Å; V153-T227 PolarHBondContact O-OG1 2.85Å
154	K	70.9	Confident	66.6	Low	115 Å²	115	72.2 Å²	72.2	50%	0.5	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	135	173.8	-174.2	179.3	-177.3	99.2	0	111.7	T156 T227 S228 D230	K154-T156 VanDerWaalsContact C-N 3.35Å; K154-T227 WeakPolarHBondContact CA-OG1 3.38Å; K154-S228 WeakPolarHBondContact CE-O 3.41Å; K154-S228 PolarHBondContact NZ-O 3.04Å; K154-D230 VanDerWaalsContact CB-OD1 3.32Å; K154-D230 WeakPolarHBondContact CB-OD1 3.48Å; K154-D230 PolarHBondContact N-OD1 2.85Å
155	R	64.8	Low	65.3	Low	204 Å²	204	76.9 Å²	76.9	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	19.6	-171.5	-54.4	171.2	174.8	161	-3.4	115.7	V153 R157 T227	V153-R155 PolarHBondContact O-N 3.23Å; R155-R157 PolarHBondContact O-N 3.09Å; R155-T227 PolarHBondContact N-O 3.24Å; R155-T227 PolarHBondContact N-OG1 2.75Å
156	T	71.9	Confident	63.9	Low	47 Å²	47	78.9 Å²	78.9	29%	0.288	36%	0.359	S	S	.	.			trans	-60.2	128	158	-68.3	0	0	0	0	108.4	L152 V153 K154 F158 N226 T227	L152-T156 HydrophobicContact CD2-CG2 4.49Å; V153-T156 WeakPolarHBondContact O-CB 3.46Å; V153-T156 PolarHBondContact O-N 2.93Å; V153-T156 VanDerWaalsContact O-N 3.08Å; V153-T156 PolarHBondContact O-OG1 2.89Å; K154-T156 VanDerWaalsContact C-N 3.35Å; T156-F158 HydrophobicContact CG2-CE1 4.2Å; T156-F158 HydrophobicContact CG2-CE2 4.09Å; T156-F158 HydrophobicContact CG2-CZ 3.74Å; T156-N226 CarbonylContact O-C 3.25Å; T156-N226 VanDerWaalsContact O-CA 3.32Å; T156-N226 WeakPolarHBondContact O-CA 3.06Å; T156-T227 PolarHBondContact N-OG1 3.17Å; T156-T227 PolarHBondContact O-N 3.43Å
157	R	69.9	Low	62.1	Low	137 Å²	137	84.5 Å²	84.5	52%	0.517	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.8	-175.7	-177.7	-171.6	-65.8	-160.8	-4.5	110.8	R155 Y217 Y224 F225 N226	R155-R157 PolarHBondContact O-N 3.09Å; R157-Y217 PolarHBondContact NE-OH 3.4Å; R157-Y217 VanDerWaalsContact NE-OH 3.08Å; R157-Y217 PolarHBondContact NH2-OH 3.01Å; R157-Y224 HydrophobicContact CG-CD1 4.06Å; R157-F225 CarbonylContact C-O 3.44Å; R157-F225 WeakPolarHBondContact CA-O 3.45Å; R157-N226 WeakPolarHBondContact CB-OD1 3.39Å
158	F	73.7	Confident	60.4	Low	21 Å²	21	89.3 Å²	89.3	9%	0.092	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.8	167.4	-51.5	-78.9	0	0	0	109.4	P131 L152 T156 F161 W199 M200 L214 Y224 F225 T227	P131-F158 HydrophobicContact CG-CD1 4.46Å; P131-F158 HydrophobicContact CG-CE1 4.44Å; L152-F158 HydrophobicContact CD1-CE2 4.28Å; L152-F158 HydrophobicContact CD1-CZ 3.9Å; L152-F158 HydrophobicContact CD2-CZ 4.24Å; T156-F158 HydrophobicContact CG2-CE1 4.2Å; T156-F158 HydrophobicContact CG2-CE2 4.09Å; T156-F158 HydrophobicContact CG2-CZ 3.74Å; F158-F161 HydrophobicContact CB-CE2 4.14Å; F158-F161 HydrophobicContact CB-CZ 4.34Å; F158-W199 HydrophobicContact CB-CZ2 4.47Å; F158-W199 HydrophobicContact CD1-CH2 4.29Å; F158-W199 HydrophobicContact CD1-CZ2 4.03Å; F158-W199 HydrophobicContact CG-CH2 4.31Å; F158-W199 HydrophobicContact CG-CZ2 4.27Å; F158-M200 HydrophobicContact CB-CE 4.08Å; F158-L214 HydrophobicContact CD2-CD2 4.22Å; F158-L214 HydrophobicContact CE2-CD2 4.11Å; F158-Y224 WeakPolarHBondContact O-CA 3.46Å; F158-F225 HydrophobicContact CB-CB 4.45Å; F158-F225 PolarHBondContact N-O 3.28Å; F158-F225 PolarHBondContact O-N 2.99Å; F158-T227 HydrophobicContact CE2-CG2 4.22Å
159	G	65.8	Low	58.5	Low	32 Å²	32	92.6 Å²	92.6	33%	0.33	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.2	177.4	-172.1	0	0	0	0	0	113.2
160	P	55.5	Low	57.1	Low	75 Å²	75	97.8 Å²	97.8	49%	0.487	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-65.1	153.1	8.1	25.8	-34.5	0	0	0	114	D222 Y224	P160-D222 HydrophobicContact CB-CB 3.83Å; P160-D222 WeakPolarHBondContact CB-OD2 3.46Å; P160-Y224 HydrophobicContact CB-CE1 3.97Å; P160-Y224 HydrophobicContact CB-CE2 4.42Å; P160-Y224 HydrophobicContact CG-CE1 4.49Å
161	F	61.3	Low	55.6	Low	40 Å²	40	96 Å²	96	18%	0.175	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.9	165.8	-56.7	-67.8	0	0	0	107.2	F158 N198 M200 V223 F225	F158-F161 HydrophobicContact CB-CE2 4.14Å; F158-F161 HydrophobicContact CB-CZ 4.34Å; F161-N198 WeakPolarHBondContact CD1-ND2 3.01Å; F161-N198 VanDerWaalsContact CE1-ND2 3.33Å; F161-N198 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N198 WeakPolarHBondContact CE1-OD1 3.34Å; F161-N198 VanDerWaalsContact CG-ND2 3.31Å; F161-N198 WeakPolarHBondContact CG-ND2 3.05Å; F161-M200 HydrophobicContact CE2-CE 3.87Å; F161-M200 HydrophobicContact CZ-CE 4.16Å; F161-V223 WeakPolarHBondContact CD2-O 3.36Å; F161-V223 PolarHBondContact N-O 3.42Å; F161-V223 VanDerWaalsContact N-O 3.12Å; F161-V223 PolarHBondContact O-N 2.94Å; F161-F225 AromaticContact CD2-CD2 3.77Å; F161-F225 HydrophobicContact CD2-CD2 3.77Å; F161-F225 AromaticContact CD2-CE2 3.77Å; F161-F225 HydrophobicContact CD2-CE2 3.77Å; F161-F225 AromaticContact CE2-CD2 3.78Å; F161-F225 HydrophobicContact CE2-CD2 3.78Å; F161-F225 HydrophobicContact CE2-CE2 4.14Å
162	E	47.5	Very low	54.2	Low	140 Å²	140	98.8 Å²	98.8	65%	0.654	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.9	-175.6	-61.2	-172.4	-174.4	0	0	111
163	A	51.2	Low	52.5	Low	6 Å²	6	100.5 Å²	100.5	5%	0.05	50%	0.504	C	S	.	.			trans	-116.9	94.2	178.3	0	0	0	0	0	111.3	R165 F189 D221 V223	A163-R165 PolarHBondContact O-N 3.34Å; A163-F189 HydrophobicContact CB-CD1 4.31Å; A163-F189 HydrophobicContact CB-CE1 3.63Å; A163-F189 HydrophobicContact CB-CE2 4.42Å; A163-F189 HydrophobicContact CB-CZ 3.71Å; A163-D221 WeakPolarHBondContact CB-O 3.04Å; A163-D221 PolarHBondContact N-O 3.1Å; A163-D221 VanDerWaalsContact N-O 3.11Å; A163-V223 HydrophobicContact CB-CG2 4Å
164	K	43.8	Very low	50.9	Low	101 Å²	101	102.5 Å²	102.5	44%	0.439	52%	0.516	S	S	.	.			trans	-61.5	119.1	174.3	-71.1	164.7	-179.3	160.4	0	110	V166 S193 D196	K164-V166 PolarHBondContact O-N 3.3Å; K164-S193 PolarHBondContact NZ-OG 2.79Å; K164-D196 IonicContact NZ-OD1 2.94Å; K164-D196 IonicContact NZ-OD2 3.8Å; K164-D196 PolarHBondContact NZ-OD2 2.83Å
165	R	38.8	Very low	49.1	Very low	149 Å²	149	105.5 Å²	105.5	56%	0.562	53%	0.53	S	S	*	.			trans	-78.5	101.9	-178.4	-56.8	-175.8	-166.5	-152.5	6.2	111	A163 D221	A163-R165 PolarHBondContact O-N 3.34Å; R165-D221 IonicContact CZ-OD1 3.77Å; R165-D221 IonicContact NE-OD1 2.73Å; R165-D221 PolarHBondContact NE-OD1 3.21Å; R165-D221 IonicContact NH2-OD1 3.28Å; R165-D221 PolarHBondContact NH2-OD1 3.5Å; R165-D221 IonicContact NH2-OD2 3.98Å
166	V	42	Very low	47.8	Very low	42 Å²	42	97.8 Å²	97.8	26%	0.255	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-94.8	118.8	172.9	-166.4	0	0	0	0	111.2	K164 I168 L169 D190	K164-V166 PolarHBondContact O-N 3.3Å; V166-I168 PolarHBondContact O-N 2.81Å; V166-I168 VanDerWaalsContact O-N 3.17Å; V166-L169 HydrophobicContact CB-CD1 4.27Å; V166-L169 HydrophobicContact CG1-CD1 3.88Å; V166-D190 HydrophobicContact CG2-CB 4Å
167	P	38.4	Very low	46.4	Very low	119 Å²	119	97.7 Å²	97.7	77%	0.773	50%	0.504	S	S	*	.	S	Bend	trans	-81.2	91.8	174.5	33	-32.3	0	0	0	110.4
168	I	42.5	Very low	45.1	Very low	137 Å²	137	96.5 Å²	96.5	70%	0.703	50%	0.502	S	S	*	.			trans	74.6	135.8	-177.7	-51.3	169.7	0	0	0	112.8	V166 E170	V166-I168 PolarHBondContact O-N 2.81Å; V166-I168 VanDerWaalsContact O-N 3.17Å; I168-E170 HydrophobicContact CG2-CG 4.22Å
169	L	37.5	Very low	43.5	Very low	70 Å²	70	96.8 Å²	96.8	37%	0.366	51%	0.505	S	S	.	.			trans	-112.7	122.8	167.2	-128.6	93.8	0	0	0	107	V166	V166-L169 HydrophobicContact CB-CD1 4.27Å; V166-L169 HydrophobicContact CG1-CD1 3.88Å
170	E	39.1	Very low	42.3	Very low	193 Å²	193	98.8 Å²	98.8	90%	0.902	50%	0.504	S	S	*	.			trans	-95.4	1.1	178.7	-67.3	-168.9	135	0	0	113.7	I168	I168-E170 HydrophobicContact CG2-CG 4.22Å
171	N	35.8	Very low	41.5	Very low	143 Å²	143	99 Å²	99	77%	0.765	50%	0.498	S	S	*	.	S	Bend	trans	-110.8	136.1	177.9	-92.3	-33.7	0	0	0	112.2	G173	N171-G173 PolarHBondContact O-N 3.18Å
172	E	42.4	Very low	40.2	Very low	209 Å²	209	105.9 Å²	105.9	98%	0.977	53%	0.529	S	S	*	.			trans	-76.2	74.2	170.9	-63.9	-153.9	131.3	0	0	111.2
173	G	36.3	Very low	39.8	Very low	46 Å²	46	106.3 Å²	106.3	47%	0.474	54%	0.535	S	S	.	.			trans	-88.8	152.4	166.9	0	0	0	0	0	112.2	N171 F175 P176	N171-G173 PolarHBondContact O-N 3.18Å; G173-F175 PolarHBondContact O-N 2.92Å; G173-P176 WeakPolarHBondContact O-CD 3.4Å
174	V	39	Very low	39.1	Very low	126 Å²	126	107.9 Å²	107.9	76%	0.764	55%	0.552	S	S	*	*	S	Bend	trans	-61.8	118	-174.3	175.8	0	0	0	0	112.4
175	F	34.2	Very low	38.8	Very low	178 Å²	178	105.7 Å²	105.7	78%	0.781	55%	0.553	S	S	*	*			trans	49.7	68.6	169.9	-67	-63.3	0	0	0	118.3	G173 L177	G173-F175 PolarHBondContact O-N 2.92Å; F175-L177 PolarHBondContact O-N 3.17Å; F175-L177 VanDerWaalsContact O-N 3.17Å
176	P	38.1	Very low	39	Very low	42 Å²	42	102 Å²	102	27%	0.273	55%	0.547	S	S	.	.			trans	-65.5	113.9	163.7	28	-34.1	0	0	0	111.1	G173 K178	G173-P176 WeakPolarHBondContact O-CD 3.4Å; P176-K178 PolarHBondContact O-N 3.29Å
177	L	42.6	Very low	39	Very low	46 Å²	46	100.6 Å²	100.6	24%	0.241	54%	0.538	C	S	.	.			trans	-62.9	120.1	172.3	-77.2	150.5	0	0	0	109.9	F175 C188 F189 M201 Y241	F175-L177 PolarHBondContact O-N 3.17Å; F175-L177 VanDerWaalsContact O-N 3.17Å; L177-C188 CarbonylContact O-C 3.57Å; L177-C188 WeakPolarHBondContact O-CA 3.17Å; L177-F189 HydrophobicContact CB-CB 4.11Å; L177-F189 HydrophobicContact CB-CD2 3.64Å; L177-F189 HydrophobicContact CB-CE2 4.44Å; L177-F189 HydrophobicContact CB-CG 4.18Å; L177-F189 PolarHBondContact O-N 2.7Å; L177-M201 HydrophobicContact CD1-CG 4.47Å; L177-Y241 HydrophobicContact CD2-CD1 4.35Å; L177-Y241 HydrophobicContact CD2-CE1 3.57Å
178	K	42	Very low	39.2	Very low	111 Å²	111	95.6 Å²	95.6	48%	0.483	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	115.2	-179.2	-69.4	173.3	-176.1	175.3	0	110.9	P176 F180 V186	P176-K178 PolarHBondContact O-N 3.29Å; K178-F180 HydrophobicContact CB-CE2 3.95Å; K178-F180 HydrophobicContact CB-CZ 4.46Å; K178-V186 HydrophobicContact CB-CG1 4.27Å; K178-V186 HydrophobicContact CG-CG1 4.39Å
179	I	40.6	Very low	39.2	Very low	28 Å²	28	90.7 Å²	90.7	14%	0.144	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.3	172.6	-62.2	-172.3	0	0	0	108.9	V187 F189 V223	I179-V187 PolarHBondContact N-O 3.16Å; I179-V187 PolarHBondContact O-N 3.11Å; I179-F189 HydrophobicContact CD1-CE2 3.81Å; I179-F189 HydrophobicContact CD1-CZ 4.45Å; I179-F189 HydrophobicContact CG1-CE2 4.22Å; I179-V223 HydrophobicContact CD1-CG1 3.83Å; I179-V223 HydrophobicContact CD1-CG2 4.1Å
180	F	40.5	Very low	39.3	Very low	74 Å²	74	90.1 Å²	90.1	33%	0.325	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129	-177.6	-65.9	-100.4	0	0	0	110.1	K178 V186 A243	K178-F180 HydrophobicContact CB-CE2 3.95Å; K178-F180 HydrophobicContact CB-CZ 4.46Å; F180-V186 HydrophobicContact CD1-CB 4.35Å; F180-V186 HydrophobicContact CD1-CG1 4.15Å; F180-V186 HydrophobicContact CD1-CG2 3.75Å; F180-V186 HydrophobicContact CE1-CB 4.22Å; F180-V186 HydrophobicContact CE1-CG1 3.81Å; F180-V186 HydrophobicContact CE1-CG2 3.47Å; F180-V186 VanDerWaalsContact CE1-CG2 3.47Å; F180-V186 HydrophobicContact CE2-CG1 4.36Å; F180-V186 HydrophobicContact CZ-CG1 3.91Å; F180-V186 HydrophobicContact CZ-CG2 4.34Å; F180-A243 HydrophobicContact CD2-CB 4.49Å; F180-A243 HydrophobicContact CE2-CB 4.22Å
181	Q	37.9	Very low	39.5	Very low	78 Å²	78	82.6 Å²	82.6	36%	0.364	45%	0.445	S	S	.	.			trans	-80.1	158.9	168.1	-69	-166.4	-5.6	0	0	111	D183 G184 A185	Q181-D183 PolarHBondContact O-N 2.8Å; Q181-D183 VanDerWaalsContact O-N 3.08Å; Q181-G184 PolarHBondContact O-N 3.37Å; Q181-G184 VanDerWaalsContact O-N 3.08Å; Q181-A185 PolarHBondContact N-O 3.39Å
182	K	34.1	Very low	39.7	Very low	186 Å²	186	80.4 Å²	80.4	81%	0.809	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.6	-175.8	-162.3	-178.7	179.1	-170.4	0	113.3
183	D	39.1	Very low	39.7	Very low	149 Å²	149	71.8 Å²	71.8	80%	0.797	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	16.1	-177.2	-47.6	-54.7	0	0	0	112.9	Q181	Q181-D183 PolarHBondContact O-N 2.8Å; Q181-D183 VanDerWaalsContact O-N 3.08Å
184	G	36	Very low	40	Very low	38 Å²	38	74.8 Å²	74.8	39%	0.392	41%	0.405	S	S	.	.	S	Bend	trans	91.5	-9.3	167.9	0	0	0	0	0	116.7	Q181	Q181-G184 PolarHBondContact O-N 3.37Å; Q181-G184 VanDerWaalsContact O-N 3.08Å
185	A	37.3	Very low	40.2	Very low	56 Å²	56	75.7 Å²	75.7	46%	0.463	41%	0.406	S	S	.	.			trans	-68.6	132.9	173.9	0	0	0	0	0	111.7	Q181	Q181-A185 PolarHBondContact N-O 3.39Å
186	V	42.8	Very low	40.8	Very low	71 Å²	71	70.1 Å²	70.1	43%	0.43	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.2	175.5	-161.7	0	0	0	0	109.2	K178 F180	K178-V186 HydrophobicContact CB-CG1 4.27Å; K178-V186 HydrophobicContact CG-CG1 4.39Å; F180-V186 HydrophobicContact CD1-CB 4.35Å; F180-V186 HydrophobicContact CD1-CG1 4.15Å; F180-V186 HydrophobicContact CD1-CG2 3.75Å; F180-V186 HydrophobicContact CE1-CB 4.22Å; F180-V186 HydrophobicContact CE1-CG1 3.81Å; F180-V186 HydrophobicContact CE1-CG2 3.47Å; F180-V186 VanDerWaalsContact CE1-CG2 3.47Å; F180-V186 HydrophobicContact CE2-CG1 4.36Å; F180-V186 HydrophobicContact CZ-CG1 3.91Å; F180-V186 HydrophobicContact CZ-CG2 4.34Å
187	V	42.1	Very low	41.4	Very low	12 Å²	12	69 Å²	69	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.1	168.1	-176.2	0	0	0	0	107.8	I179	I179-V187 PolarHBondContact N-O 3.16Å; I179-V187 PolarHBondContact O-N 3.11Å
188	C	43	Very low	42.3	Very low	14 Å²	14	68.4 Å²	68.4	10%	0.095	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.7	170.2	-60	0	0	0	0	109.1	L177	L177-C188 CarbonylContact O-C 3.57Å; L177-C188 WeakPolarHBondContact O-CA 3.17Å
189	F	42.6	Very low	43.5	Very low	35 Å²	35	63.4 Å²	63.4	15%	0.154	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-78.4	135.1	161.5	-71.2	-102.8	0	0	0	109.5	A163 L177 I179 V223	A163-F189 HydrophobicContact CB-CD1 4.31Å; A163-F189 HydrophobicContact CB-CE1 3.63Å; A163-F189 HydrophobicContact CB-CE2 4.42Å; A163-F189 HydrophobicContact CB-CZ 3.71Å; L177-F189 HydrophobicContact CB-CB 4.11Å; L177-F189 HydrophobicContact CB-CD2 3.64Å; L177-F189 HydrophobicContact CB-CE2 4.44Å; L177-F189 HydrophobicContact CB-CG 4.18Å; L177-F189 PolarHBondContact O-N 2.7Å; I179-F189 HydrophobicContact CD1-CE2 3.81Å; I179-F189 HydrophobicContact CD1-CZ 4.45Å; I179-F189 HydrophobicContact CG1-CE2 4.22Å; F189-V223 HydrophobicContact CE2-CG2 4.38Å; F189-V223 HydrophobicContact CZ-CB 4Å; F189-V223 HydrophobicContact CZ-CG1 4.44Å; F189-V223 HydrophobicContact CZ-CG2 3.75Å
190	D	39.8	Very low	44.7	Very low	58 Å²	58	62.4 Å²	62.4	31%	0.31	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-80.6	121.2	166.2	-171.5	-1.7	0	0	0	109.6	V166 S192	V166-D190 HydrophobicContact CG2-CB 4Å; D190-S192 WeakPolarHBondContact OD1-CB 3.29Å; D190-S192 PolarHBondContact OD1-N 3.28Å; D190-S192 PolarHBondContact OD1-OG 3.21Å
191	C	42.7	Very low	45.6	Very low	35 Å²	35	62.2 Å²	62.2	24%	0.236	35%	0.348	C	S	.	.	S	Bend	trans	-92.5	3.1	179.1	-59.7	0	0	0	0	112.9	M201	C191-M201 HydrophobicContact CB-CE 3.85Å
192	S	40.4	Very low	46.8	Very low	96 Å²	96	59.6 Å²	59.6	67%	0.671	34%	0.336	S	S	*	.			trans	-84.2	-10.9	-176.7	-38.8	0	0	0	0	114	D190 E194	D190-S192 WeakPolarHBondContact OD1-CB 3.29Å; D190-S192 PolarHBondContact OD1-N 3.28Å; D190-S192 PolarHBondContact OD1-OG 3.21Å; S192-E194 PolarHBondContact O-N 3.04Å
193	S	42.5	Very low	48.5	Very low	28 Å²	28	51 Å²	51	20%	0.196	30%	0.3	C	S	.	.			trans	-84.7	104.2	-175.1	178.5	0	0	0	0	111.9	K164 D195 D196	K164-S193 PolarHBondContact NZ-OG 2.79Å; S193-D195 PolarHBondContact O-N 3.11Å; S193-D195 VanDerWaalsContact O-N 3.09Å; S193-D196 WeakPolarHBondContact CB-OD2 3.26Å; S193-D196 PolarHBondContact O-N 2.72Å; S193-D196 PolarHBondContact OG-OD2 3.18Å
194	E	42.6	Very low	49.7	Very low	110 Å²	110	46 Å²	46	51%	0.514	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.6	-177.3	-62.8	-162.9	125.7	0	0	114.7	R125 S192 C197	R125-E194 PolarHBondContact NH1-O 3.13Å; S192-E194 PolarHBondContact O-N 3.04Å; E194-C197 PolarHBondContact O-SG 2.88Å
195	D	42.8	Very low	51.1	Low	144 Å²	144	48.3 Å²	48.3	77%	0.77	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.4	176.7	-70.5	-37.4	0	0	0	113.5	S193 C197	S193-D195 PolarHBondContact O-N 3.11Å; S193-D195 VanDerWaalsContact O-N 3.09Å; D195-C197 VanDerWaalsContact C-N 3.33Å; D195-C197 PolarHBondContact O-N 2.8Å
196	D	48.6	Very low	52.4	Low	62 Å²	62	46 Å²	46	33%	0.332	26%	0.259	S	S	.	.			trans	-94.5	28.4	-174.1	-63.6	-57.9	0	0	0	113.6	K164 S193 N198	K164-D196 IonicContact NZ-OD1 2.94Å; K164-D196 IonicContact NZ-OD2 3.8Å; K164-D196 PolarHBondContact NZ-OD2 2.83Å; S193-D196 WeakPolarHBondContact CB-OD2 3.26Å; S193-D196 PolarHBondContact O-N 2.72Å; S193-D196 PolarHBondContact OG-OD2 3.18Å; D196-N198 VanDerWaalsContact C-N 3.29Å; D196-N198 PolarHBondContact O-N 3.37Å
197	C	49.2	Very low	53	Low	19 Å²	19	46.8 Å²	46.8	13%	0.128	27%	0.272	C	S	.	.			trans	-65.5	74.2	-175	-77.8	0	0	0	0	114.4	R125 S129 E194 D195	R125-C197 HydrophobicContact CB-CB 4.48Å; S129-C197 PolarHBondContact OG-O 2.92Å; E194-C197 PolarHBondContact O-SG 2.88Å; D195-C197 VanDerWaalsContact C-N 3.33Å; D195-C197 PolarHBondContact O-N 2.8Å
198	N	60.9	Low	53.7	Low	32 Å²	32	50.1 Å²	50.1	17%	0.171	29%	0.29	C	S	.	.			trans	-88.6	128.4	-177.5	-174.4	-1.5	0	0	0	112.2	F161 D196 M200 M201	F161-N198 WeakPolarHBondContact CD1-ND2 3.01Å; F161-N198 VanDerWaalsContact CE1-ND2 3.33Å; F161-N198 WeakPolarHBondContact CE1-ND2 3.4Å; F161-N198 WeakPolarHBondContact CE1-OD1 3.34Å; F161-N198 VanDerWaalsContact CG-ND2 3.31Å; F161-N198 WeakPolarHBondContact CG-ND2 3.05Å; D196-N198 VanDerWaalsContact C-N 3.29Å; D196-N198 PolarHBondContact O-N 3.37Å; N198-M200 WeakPolarHBondContact ND2-CB 3.39Å; N198-M200 PolarHBondContact O-N 2.97Å; N198-M200 VanDerWaalsContact O-N 3.1Å; N198-M200 WeakPolarHBondContact OD1-CB 3.44Å; N198-M200 PolarHBondContact OD1-N 3.25Å; N198-M201 WeakPolarHBondContact O-CB 3.22Å; N198-M201 WeakPolarHBondContact O-CG 3.15Å; N198-M201 PolarHBondContact O-N 3Å
199	W	68.8	Low	54.3	Low	7 Å²	7	57 Å²	57	3%	0.027	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58	-22.8	173.3	65.6	-92.8	0	0	0	113.5	S129 L130 P131 L134 V146 F158 M201 L202 V203 L237	S129-W199 PolarHBondContact O-NE1 2.92Å; L130-W199 HydrophobicContact CD1-CB 3.93Å; L130-W199 HydrophobicContact CD1-CD2 3.78Å; L130-W199 HydrophobicContact CD1-CE3 3.97Å; L130-W199 HydrophobicContact CD1-CG 3.77Å; P131-W199 HydrophobicContact CG-CZ2 4.01Å; L134-W199 HydrophobicContact CD1-CE3 4.19Å; L134-W199 HydrophobicContact CD1-CH2 3.3Å; L134-W199 HydrophobicContact CD1-CZ2 3.85Å; L134-W199 HydrophobicContact CD1-CZ3 3.51Å; V146-W199 HydrophobicContact CG1-CE3 3.98Å; V146-W199 HydrophobicContact CG1-CZ3 4.05Å; V146-W199 HydrophobicContact CG2-CE3 4.2Å; F158-W199 HydrophobicContact CB-CZ2 4.47Å; F158-W199 HydrophobicContact CD1-CH2 4.29Å; F158-W199 HydrophobicContact CD1-CZ2 4.03Å; F158-W199 HydrophobicContact CG-CH2 4.31Å; F158-W199 HydrophobicContact CG-CZ2 4.27Å; W199-M201 PolarHBondContact O-N 3.15Å; W199-M201 VanDerWaalsContact O-N 3.15Å; W199-L202 WeakPolarHBondContact O-CB 3.38Å; W199-L202 PolarHBondContact O-N 2.81Å; W199-V203 HydrophobicContact CE3-CG2 3.98Å; W199-V203 HydrophobicContact CZ3-CG2 3.79Å; W199-L237 HydrophobicContact CH2-CD1 4.27Å; W199-L237 HydrophobicContact CZ3-CD1 3.9Å
200	M	66	Low	54.9	Low	6 Å²	6	64.2 Å²	64.2	3%	0.03	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-60.3	-20.1	174.6	-162.9	65.1	62.1	0	0	112.9	F158 F161 N198 L202 V203 L214 F225	F158-M200 HydrophobicContact CB-CE 4.08Å; F161-M200 HydrophobicContact CE2-CE 3.87Å; F161-M200 HydrophobicContact CZ-CE 4.16Å; N198-M200 WeakPolarHBondContact ND2-CB 3.39Å; N198-M200 PolarHBondContact O-N 2.97Å; N198-M200 VanDerWaalsContact O-N 3.1Å; N198-M200 WeakPolarHBondContact OD1-CB 3.44Å; N198-M200 PolarHBondContact OD1-N 3.25Å; M200-L202 PolarHBondContact O-N 3.08Å; M200-V203 WeakPolarHBondContact O-CB 3.32Å; M200-V203 PolarHBondContact O-N 3.04Å; M200-V203 HydrophobicContact SD-CB 4.11Å; M200-V203 HydrophobicContact SD-CG1 4.35Å; M200-V203 HydrophobicContact SD-CG2 3.77Å; M200-L214 HydrophobicContact SD-CD1 4.48Å; M200-F225 HydrophobicContact CE-CB 4.02Å; M200-F225 HydrophobicContact CE-CD1 4.42Å; M200-F225 HydrophobicContact CE-CD2 3.88Å; M200-F225 HydrophobicContact CE-CE2 4.47Å; M200-F225 HydrophobicContact CE-CG 3.86Å; M200-F225 HydrophobicContact CG-CD1 4.26Å; M200-F225 HydrophobicContact CG-CD2 4.06Å; M200-F225 HydrophobicContact CG-CE1 3.91Å; M200-F225 HydrophobicContact CG-CE2 3.72Å; M200-F225 HydrophobicContact CG-CG 4.34Å; M200-F225 HydrophobicContact CG-CZ 3.63Å; M200-F225 HydrophobicContact SD-CB 4.44Å; M200-F225 HydrophobicContact SD-CD1 3.83Å; M200-F225 HydrophobicContact SD-CD2 4.13Å; M200-F225 HydrophobicContact SD-CE1 4.04Å; M200-F225 HydrophobicContact SD-CE2 4.34Å; M200-F225 HydrophobicContact SD-CG 3.88Å; M200-F225 HydrophobicContact SD-CZ 4.3Å
201	M	59.5	Low	55.8	Low	71 Å²	71	66.1 Å²	66.1	35%	0.35	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-68.8	-16.2	173.3	-63.7	175.8	68.1	0	0	113.4	L177 C191 N198 W199	L177-M201 HydrophobicContact CD1-CG 4.47Å; C191-M201 HydrophobicContact CB-CE 3.85Å; N198-M201 WeakPolarHBondContact O-CB 3.22Å; N198-M201 WeakPolarHBondContact O-CG 3.15Å; N198-M201 PolarHBondContact O-N 3Å; W199-M201 PolarHBondContact O-N 3.15Å; W199-M201 VanDerWaalsContact O-N 3.15Å
202	L	62	Low	57	Low	22 Å²	22	65.5 Å²	65.5	12%	0.115	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-93.4	4.5	175	-59.8	178.4	0	0	0	112.8	K126 I136 E144 V146 W199 M200 R204	K126-L202 HydrophobicContact CD-CD1 3.96Å; K126-L202 HydrophobicContact CD-CD2 4.46Å; K126-L202 HydrophobicContact CD-CG 4.27Å; I136-L202 HydrophobicContact CD1-CD1 3.82Å; I136-L202 HydrophobicContact CG1-CD1 4.07Å; I136-L202 HydrophobicContact CG2-CD1 3.88Å; E144-L202 HydrophobicContact CB-CD1 3.99Å; E144-L202 HydrophobicContact CB-CD2 3.97Å; E144-L202 HydrophobicContact CB-CG 4.5Å; E144-L202 WeakPolarHBondContact OE2-CD1 3.42Å; V146-L202 HydrophobicContact CG2-CB 3.66Å; W199-L202 WeakPolarHBondContact O-CB 3.38Å; W199-L202 PolarHBondContact O-N 2.81Å; M200-L202 PolarHBondContact O-N 3.08Å; L202-R204 PolarHBondContact O-N 3.1Å
203	V	68.9	Low	58.6	Low	7 Å²	7	61.5 Å²	61.5	4%	0.042	32%	0.323	C	S	.	.			trans	-91.3	104.5	-176.6	179.6	0	0	0	0	109.4	V146 W199 M200 L214 L237 V239	V146-V203 HydrophobicContact CB-CG2 4.02Å; V146-V203 HydrophobicContact CG2-CG2 3.73Å; W199-V203 HydrophobicContact CE3-CG2 3.98Å; W199-V203 HydrophobicContact CZ3-CG2 3.79Å; M200-V203 WeakPolarHBondContact O-CB 3.32Å; M200-V203 PolarHBondContact O-N 3.04Å; M200-V203 HydrophobicContact SD-CB 4.11Å; M200-V203 HydrophobicContact SD-CG1 4.35Å; M200-V203 HydrophobicContact SD-CG2 3.77Å; V203-L214 HydrophobicContact CG1-CD1 3.92Å; V203-L237 HydrophobicContact CG1-CB 3.99Å; V203-L237 WeakPolarHBondContact CG1-O 3.4Å; V203-V239 HydrophobicContact CG1-CB 4.47Å; V203-V239 HydrophobicContact CG1-CG2 3.6Å
204	R	65.9	Low	60	Low	43 Å²	43	60.2 Å²	60.2	16%	0.162	31%	0.314	C	S	.	.			trans	-62	152.5	-173.6	-71.9	-166.7	179.5	118.6	-15.7	113.2	V139 E143 L202 E236 R238 V239	V139-R204 PolarHBondContact O-NH2 2.89Å; E143-R204 VanDerWaalsContact CB-NH2 3.3Å; E143-R204 IonicContact OE2-CZ 3.96Å; E143-R204 VanDerWaalsContact OE2-CZ 3.28Å; E143-R204 IonicContact OE2-NE 2.75Å; E143-R204 PolarHBondContact OE2-NE 2.98Å; E143-R204 IonicContact OE2-NH2 3.12Å; E143-R204 PolarHBondContact OE2-NH2 3.12Å; L202-R204 PolarHBondContact O-N 3.1Å; R204-E236 IonicContact CZ-OE1 3.74Å; R204-E236 IonicContact NH1-OE1 2.68Å; R204-E236 PolarHBondContact NH1-OE1 2.89Å; R204-R238 WeakPolarHBondContact O-CA 3.47Å; R204-R238 WeakPolarHBondContact O-CB 3.49Å; R204-V239 PolarHBondContact O-N 3.38Å; R204-V239 VanDerWaalsContact O-N 3.14Å
205	P	64.8	Low	61.4	Low	87 Å²	87	57.2 Å²	57.2	57%	0.565	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-65.1	143.8	171.8	27	-34.4	0	0	0	112.4	A207 V239 Y241	P205-A207 PolarHBondContact O-N 3.43Å; P205-V239 CarbonylContact C-O 3.48Å; P205-V239 WeakPolarHBondContact CA-O 3.47Å; P205-Y241 HydrophobicContact CB-CD2 4.14Å; P205-Y241 HydrophobicContact CB-CE2 4.36Å
206	A	65.6	Low	62.7	Low	8 Å²	8	51.9 Å²	51.9	7%	0.066	28%	0.279	C	S	.	.			trans	-81.1	108.6	174.3	0	0	0	0	0	110.7	D208 Q212 R238 V239 W240	A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 2.77Å; A206-Q212 HydrophobicContact CB-CB 4.01Å; A206-R238 HydrophobicContact CB-CB 3.91Å; A206-V239 PolarHBondContact N-O 3.12Å; A206-W240 HydrophobicContact CB-CB 4.41Å
207	A	54.8	Low	63.5	Low	86 Å²	86	52 Å²	52	71%	0.711	28%	0.275	S	S	*	.	S	Bend	trans	-64.2	-33.6	176.7	0	0	0	0	0	113	P205	P205-A207 PolarHBondContact O-N 3.43Å
208	D	57	Low	64	Low	83 Å²	83	52.9 Å²	52.9	44%	0.444	28%	0.278	S	S	.	.	S	Bend	trans	-123.7	150.9	178.1	-59.6	-85.9	0	0	0	112.1	A206 K210 H211 Q212	A206-D208 VanDerWaalsContact C-N 3.31Å; A206-D208 PolarHBondContact O-N 2.77Å; D208-K210 HydrophobicContact CB-CB 4.43Å; D208-K210 PolarHBondContact O-N 3.04Å; D208-K210 VanDerWaalsContact O-N 3.17Å; D208-H211 HydrophobicContact CB-CB 4.35Å; D208-H211 CarbonylContact O-C 3.51Å; D208-H211 WeakPolarHBondContact O-CA 3.39Å; D208-H211 PolarHBondContact O-N 2.98Å; D208-H211 IonicContact OD2-CE1 3.32Å; D208-H211 PolarHBondContact OD2-CE1 2.85Å; D208-H211 VanDerWaalsContact OD2-CE1 3.32Å; D208-H211 IonicContact OD2-ND1 2.82Å; D208-H211 PolarHBondContact OD2-ND1 2.87Å; D208-Q212 PolarHBondContact O-N 2.92Å; D208-Q212 VanDerWaalsContact O-N 3.16Å
209	H	56	Low	63.7	Low	159 Å²	159	55.9 Å²	55.9	74%	0.736	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.2	167.5	-169	-41.1	0	0	0	112.4
210	K	53.9	Low	63.5	Low	185 Å²	185	59.5 Å²	59.5	80%	0.804	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.1	173	-69.1	-176.5	179.7	177.9	0	113	D208	D208-K210 HydrophobicContact CB-CB 4.43Å; D208-K210 PolarHBondContact O-N 3.04Å; D208-K210 VanDerWaalsContact O-N 3.17Å
211	H	59.8	Low	62.9	Low	98 Å²	98	63 Å²	63	45%	0.454	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.5	179.7	-60.2	133.3	0	0	0	112.7	D208 N213	D208-H211 HydrophobicContact CB-CB 4.35Å; D208-H211 CarbonylContact O-C 3.51Å; D208-H211 WeakPolarHBondContact O-CA 3.39Å; D208-H211 PolarHBondContact O-N 2.98Å; D208-H211 IonicContact OD2-CE1 3.32Å; D208-H211 PolarHBondContact OD2-CE1 2.85Å; D208-H211 VanDerWaalsContact OD2-CE1 3.32Å; D208-H211 IonicContact OD2-ND1 2.82Å; D208-H211 PolarHBondContact OD2-ND1 2.87Å; H211-N213 PolarHBondContact O-N 3.04Å
212	Q	67.9	Low	62.7	Low	22 Å²	22	61.9 Å²	61.9	10%	0.103	33%	0.325	C	S	.	.			trans	-77.8	100	180	-178.6	-175.2	2.7	0	0	111.9	A206 D208 L214 S228 W240	A206-Q212 HydrophobicContact CB-CB 4.01Å; D208-Q212 PolarHBondContact O-N 2.92Å; D208-Q212 VanDerWaalsContact O-N 3.16Å; Q212-L214 WeakPolarHBondContact CG-O 3.42Å; Q212-S228 PolarHBondContact O-OG 3.24Å; Q212-W240 HydrophobicContact CB-CB 4.48Å; Q212-W240 VanDerWaalsContact CD-CB 3.41Å; Q212-W240 HydrophobicContact CG-CB 3.71Å
213	N	73.3	Confident	62.7	Low	13 Å²	13	60.9 Å²	60.9	7%	0.07	32%	0.32	C	S	.	.			trans	-95	-19.4	177.9	-71.1	-27.5	0	0	0	113.5	H211 T227 S228 Q229 V231 T235 E236 R238	H211-N213 PolarHBondContact O-N 3.04Å; N213-T227 WeakPolarHBondContact O-CA 3.46Å; N213-S228 WeakPolarHBondContact CA-OG 3.4Å; N213-S228 PolarHBondContact O-N 3.34Å; N213-S228 PolarHBondContact O-OG 2.69Å; N213-S228 VanDerWaalsContact O-OG 3.12Å; N213-Q229 PolarHBondContact OD1-NE2 3.18Å; N213-V231 HydrophobicContact CB-CG1 4.45Å; N213-V231 HydrophobicContact CB-CG2 3.91Å; N213-T235 WeakPolarHBondContact ND2-CG2 3.45Å; N213-E236 PolarHBondContact ND2-O 3.43Å; N213-R238 PolarHBondContact N-O 3.25Å; N213-R238 VanDerWaalsContact N-O 3.1Å
214	L	72.3	Confident	62.8	Low	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.1	-179.2	-69.7	168	0	0	0	113.1	F158 M200 V203 Q212 N226 T227 L237 R238 V239 W240	F158-L214 HydrophobicContact CD2-CD2 4.22Å; F158-L214 HydrophobicContact CE2-CD2 4.11Å; M200-L214 HydrophobicContact SD-CD1 4.48Å; V203-L214 HydrophobicContact CG1-CD1 3.92Å; Q212-L214 WeakPolarHBondContact CG-O 3.42Å; L214-N226 CarbonylContact C-O 3.47Å; L214-N226 WeakPolarHBondContact CA-O 3.48Å; L214-T227 HydrophobicContact CD2-CG2 3.88Å; L214-L237 HydrophobicContact CD1-CB 3.96Å; L214-L237 HydrophobicContact CD1-CD1 4.19Å; L214-L237 HydrophobicContact CD1-CD2 4.06Å; L214-L237 HydrophobicContact CD1-CG 4.3Å; L214-L237 HydrophobicContact CG-CD2 4.23Å; L214-R238 PolarHBondContact N-O 2.71Å; L214-V239 HydrophobicContact CB-CB 4.3Å; L214-V239 HydrophobicContact CB-CG2 3.52Å; L214-V239 HydrophobicContact CD1-CG2 3.66Å; L214-V239 HydrophobicContact CG-CG2 4.25Å; L214-W240 PolarHBondContact O-N 3.36Å
215	T	70.6	Confident	63.1	Low	48 Å²	48	60.4 Å²	60.4	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.5	169.4	44.4	0	0	0	0	110.4	F225 N226	T215-F225 WeakPolarHBondContact O-CA 3.43Å; T215-N226 PolarHBondContact N-O 3.4Å; T215-N226 PolarHBondContact O-N 3.2Å; T215-N226 PolarHBondContact OG1-O 3.41Å
216	A	71.2	Confident	63.6	Low	32 Å²	32	57.8 Å²	57.8	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145	168.2	0	0	0	0	0	110.6	Y224 F225 V239	A216-Y224 CarbonylContact C-O 3.51Å; A216-Y224 WeakPolarHBondContact CA-O 3.47Å; A216-F225 HydrophobicContact CB-CD1 3.77Å; A216-F225 HydrophobicContact CB-CE1 3.59Å; A216-F225 HydrophobicContact CB-CZ 4.27Å; A216-V239 HydrophobicContact CB-CG1 4.21Å
217	Y	65.1	Low	64.1	Low	63 Å²	63	57.5 Å²	57.5	25%	0.247	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.9	166.2	71.5	-78	0	0	0	110.1	R157 Q219 Y224 N226	R157-Y217 PolarHBondContact NE-OH 3.4Å; R157-Y217 VanDerWaalsContact NE-OH 3.08Å; R157-Y217 PolarHBondContact NH2-OH 3.01Å; Y217-Q219 HydrophobicContact CE2-CB 4.38Å; Y217-Y224 WeakPolarHBondContact CD1-O 3.4Å; Y217-Y224 HydrophobicContact CE1-CG 4.46Å; Y217-Y224 HydrophobicContact CE2-CD2 4.29Å; Y217-Y224 HydrophobicContact CE2-CG 4.35Å; Y217-Y224 AromaticContact CZ-CG 3.96Å; Y217-Y224 PolarHBondContact N-O 3.22Å; Y217-Y224 PolarHBondContact O-N 3.18Å; Y217-Y224 VanDerWaalsContact O-O 3.14Å; Y217-Y224 WeakPolarHBondContact OH-CB 3.34Å; Y217-N226 WeakPolarHBondContact CE1-ND2 3.46Å
218	Q	60.2	Low	64.7	Low	39 Å²	39	54.7 Å²	54.7	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	142.6	174.5	-168.5	174.5	22.6	0	0	110	D220 D222 V223	Q218-D220 WeakPolarHBondContact CG-O 3.33Å; Q218-D220 PolarHBondContact NE2-O 3.05Å; Q218-D222 WeakPolarHBondContact CA-O 3.31Å; Q218-D222 WeakPolarHBondContact CG-O 3.48Å; Q218-V223 HydrophobicContact CB-CG2 4.17Å; Q218-V223 HydrophobicContact CG-CG2 4.04Å
219	Q	54.5	Low	65.2	Low	94 Å²	94	54.4 Å²	54.4	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	115.4	167.9	-179.3	175.4	-14.4	0	0	108	Y217 D221 D222 Y224	Y217-Q219 HydrophobicContact CE2-CB 4.38Å; Q219-D221 PolarHBondContact O-N 2.61Å; Q219-D222 PolarHBondContact N-O 3.18Å; Q219-D222 PolarHBondContact O-N 2.94Å; Q219-D222 VanDerWaalsContact O-N 3.17Å; Q219-D222 VanDerWaalsContact O-O 3.13Å; Q219-Y224 HydrophobicContact CB-CD2 4.06Å; Q219-Y224 HydrophobicContact CB-CE2 3.98Å
220	D	63.3	Low	66	Low	83 Å²	83	49.9 Å²	49.9	44%	0.444	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-126.1	-168.4	-55	-66.3	0	0	0	111	Q218	Q218-D220 WeakPolarHBondContact CG-O 3.33Å; Q218-D220 PolarHBondContact NE2-O 3.05Å
221	D	55.3	Low	66.9	Low	81 Å²	81	41.2 Å²	41.2	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.9	174.4	-72.1	-63.9	0	0	0	113.5	A163 R165 Q219	A163-D221 WeakPolarHBondContact CB-O 3.04Å; A163-D221 PolarHBondContact N-O 3.1Å; A163-D221 VanDerWaalsContact N-O 3.11Å; R165-D221 IonicContact CZ-OD1 3.77Å; R165-D221 IonicContact NE-OD1 2.73Å; R165-D221 PolarHBondContact NE-OD1 3.21Å; R165-D221 IonicContact NH2-OD1 3.28Å; R165-D221 PolarHBondContact NH2-OD1 3.5Å; R165-D221 IonicContact NH2-OD2 3.98Å; Q219-D221 PolarHBondContact O-N 2.61Å
222	D	55.1	Low	67.3	Low	46 Å²	46	41.4 Å²	41.4	25%	0.246	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145.4	178.2	-68.5	-32	0	0	0	111.8	P160 Q218 Q219 Y224	P160-D222 HydrophobicContact CB-CB 3.83Å; P160-D222 WeakPolarHBondContact CB-OD2 3.46Å; Q218-D222 WeakPolarHBondContact CA-O 3.31Å; Q218-D222 WeakPolarHBondContact CG-O 3.48Å; Q219-D222 PolarHBondContact N-O 3.18Å; Q219-D222 PolarHBondContact O-N 2.94Å; Q219-D222 VanDerWaalsContact O-N 3.17Å; Q219-D222 VanDerWaalsContact O-O 3.13Å; D222-Y224 HydrophobicContact CB-CD2 4.19Å; D222-Y224 HydrophobicContact CB-CE2 3.5Å; D222-Y224 PolarHBondContact OD2-OH 3.04Å
223	V	61.7	Low	67.5	Low	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.2	168.3	179	0	0	0	0	110.7	F161 A163 I179 F189 Q218 F225	F161-V223 WeakPolarHBondContact CD2-O 3.36Å; F161-V223 PolarHBondContact N-O 3.42Å; F161-V223 VanDerWaalsContact N-O 3.12Å; F161-V223 PolarHBondContact O-N 2.94Å; A163-V223 HydrophobicContact CB-CG2 4Å; I179-V223 HydrophobicContact CD1-CG1 3.83Å; I179-V223 HydrophobicContact CD1-CG2 4.1Å; F189-V223 HydrophobicContact CE2-CG2 4.38Å; F189-V223 HydrophobicContact CZ-CB 4Å; F189-V223 HydrophobicContact CZ-CG1 4.44Å; F189-V223 HydrophobicContact CZ-CG2 3.75Å; Q218-V223 HydrophobicContact CB-CG2 4.17Å; Q218-V223 HydrophobicContact CG-CG2 4.04Å; V223-F225 HydrophobicContact CG1-CD2 4.39Å; V223-F225 HydrophobicContact CG1-CE2 3.69Å; V223-F225 HydrophobicContact CG1-CZ 3.91Å
224	Y	70.8	Confident	67.1	Low	31 Å²	31	46.1 Å²	46.1	12%	0.122	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	149.1	-178.6	-66.8	-93.1	0	0	0	110.1	R157 F158 P160 A216 Y217 Q219 D222	R157-Y224 HydrophobicContact CG-CD1 4.06Å; F158-Y224 WeakPolarHBondContact O-CA 3.46Å; P160-Y224 HydrophobicContact CB-CE1 3.97Å; P160-Y224 HydrophobicContact CB-CE2 4.42Å; P160-Y224 HydrophobicContact CG-CE1 4.49Å; A216-Y224 CarbonylContact C-O 3.51Å; A216-Y224 WeakPolarHBondContact CA-O 3.47Å; Y217-Y224 WeakPolarHBondContact CD1-O 3.4Å; Y217-Y224 HydrophobicContact CE1-CG 4.46Å; Y217-Y224 HydrophobicContact CE2-CD2 4.29Å; Y217-Y224 HydrophobicContact CE2-CG 4.35Å; Y217-Y224 AromaticContact CZ-CG 3.96Å; Y217-Y224 PolarHBondContact N-O 3.22Å; Y217-Y224 PolarHBondContact O-N 3.18Å; Y217-Y224 VanDerWaalsContact O-O 3.14Å; Y217-Y224 WeakPolarHBondContact OH-CB 3.34Å; Q219-Y224 HydrophobicContact CB-CD2 4.06Å; Q219-Y224 HydrophobicContact CB-CE2 3.98Å; D222-Y224 HydrophobicContact CB-CD2 4.19Å; D222-Y224 HydrophobicContact CB-CE2 3.5Å; D222-Y224 PolarHBondContact OD2-OH 3.04Å
225	F	72.6	Confident	67.3	Low	9 Å²	9	48.5 Å²	48.5	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123	-179.9	-61.9	-103	0	0	0	109.2	R157 F158 F161 M200 T215 A216 V223 V239	R157-F225 CarbonylContact C-O 3.44Å; R157-F225 WeakPolarHBondContact CA-O 3.45Å; F158-F225 HydrophobicContact CB-CB 4.45Å; F158-F225 PolarHBondContact N-O 3.28Å; F158-F225 PolarHBondContact O-N 2.99Å; F161-F225 AromaticContact CD2-CD2 3.77Å; F161-F225 HydrophobicContact CD2-CD2 3.77Å; F161-F225 AromaticContact CD2-CE2 3.77Å; F161-F225 HydrophobicContact CD2-CE2 3.77Å; F161-F225 AromaticContact CE2-CD2 3.78Å; F161-F225 HydrophobicContact CE2-CD2 3.78Å; F161-F225 HydrophobicContact CE2-CE2 4.14Å; M200-F225 HydrophobicContact CE-CB 4.02Å; M200-F225 HydrophobicContact CE-CD1 4.42Å; M200-F225 HydrophobicContact CE-CD2 3.88Å; M200-F225 HydrophobicContact CE-CE2 4.47Å; M200-F225 HydrophobicContact CE-CG 3.86Å; M200-F225 HydrophobicContact CG-CD1 4.26Å; M200-F225 HydrophobicContact CG-CD2 4.06Å; M200-F225 HydrophobicContact CG-CE1 3.91Å; M200-F225 HydrophobicContact CG-CE2 3.72Å; M200-F225 HydrophobicContact CG-CG 4.34Å; M200-F225 HydrophobicContact CG-CZ 3.63Å; M200-F225 HydrophobicContact SD-CB 4.44Å; M200-F225 HydrophobicContact SD-CD1 3.83Å; M200-F225 HydrophobicContact SD-CD2 4.13Å; M200-F225 HydrophobicContact SD-CE1 4.04Å; M200-F225 HydrophobicContact SD-CE2 4.34Å; M200-F225 HydrophobicContact SD-CG 3.88Å; M200-F225 HydrophobicContact SD-CZ 4.3Å; T215-F225 WeakPolarHBondContact O-CA 3.43Å; A216-F225 HydrophobicContact CB-CD1 3.77Å; A216-F225 HydrophobicContact CB-CE1 3.59Å; A216-F225 HydrophobicContact CB-CZ 4.27Å; V223-F225 HydrophobicContact CG1-CD2 4.39Å; V223-F225 HydrophobicContact CG1-CE2 3.69Å; V223-F225 HydrophobicContact CG1-CZ 3.91Å; F225-V239 HydrophobicContact CD1-CG1 4.27Å; F225-V239 HydrophobicContact CD1-CG2 3.86Å; F225-V239 HydrophobicContact CE1-CG1 4.15Å; F225-V239 HydrophobicContact CE1-CG2 4.09Å
226	N	75.1	Confident	67.6	Low	33 Å²	33	47.3 Å²	47.3	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.5	175.3	-72.9	-32.5	0	0	0	110.5	T156 R157 L214 T215 Y217 S228	T156-N226 CarbonylContact O-C 3.25Å; T156-N226 VanDerWaalsContact O-CA 3.32Å; T156-N226 WeakPolarHBondContact O-CA 3.06Å; R157-N226 WeakPolarHBondContact CB-OD1 3.39Å; L214-N226 CarbonylContact C-O 3.47Å; L214-N226 WeakPolarHBondContact CA-O 3.48Å; T215-N226 PolarHBondContact N-O 3.4Å; T215-N226 PolarHBondContact O-N 3.2Å; T215-N226 PolarHBondContact OG1-O 3.41Å; Y217-N226 WeakPolarHBondContact CE1-ND2 3.46Å; N226-S228 PolarHBondContact O-N 2.99Å
227	T	75.1	Confident	67.8	Low	2 Å²	2	45.8 Å²	45.8	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.9	166	51.3	0	0	0	0	111.2	L152 V153 K154 R155 T156 F158 N213 L214 Q229 V231	L152-T227 HydrophobicContact CB-CG2 4.04Å; L152-T227 HydrophobicContact CD1-CG2 3.93Å; V153-T227 PolarHBondContact O-OG1 2.85Å; K154-T227 WeakPolarHBondContact CA-OG1 3.38Å; R155-T227 PolarHBondContact N-O 3.24Å; R155-T227 PolarHBondContact N-OG1 2.75Å; T156-T227 PolarHBondContact N-OG1 3.17Å; T156-T227 PolarHBondContact O-N 3.43Å; F158-T227 HydrophobicContact CE2-CG2 4.22Å; N213-T227 WeakPolarHBondContact O-CA 3.46Å; L214-T227 HydrophobicContact CD2-CG2 3.88Å; T227-Q229 VanDerWaalsContact C-N 3.33Å; T227-V231 HydrophobicContact CG2-CG2 4.33Å
228	S	68.5	Low	68.1	Low	26 Å²	26	46.1 Å²	46.1	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-70.9	-31.9	179.5	58.6	0	0	0	0	111.8	K154 Q212 N213 N226	K154-S228 WeakPolarHBondContact CE-O 3.41Å; K154-S228 PolarHBondContact NZ-O 3.04Å; Q212-S228 PolarHBondContact O-OG 3.24Å; N213-S228 WeakPolarHBondContact CA-OG 3.4Å; N213-S228 PolarHBondContact O-N 3.34Å; N213-S228 PolarHBondContact O-OG 2.69Å; N213-S228 VanDerWaalsContact O-OG 3.12Å; N226-S228 PolarHBondContact O-N 2.99Å
229	Q	67.4	Low	68.7	Low	78 Å²	78	44.3 Å²	44.3	36%	0.364	25%	0.245	S	C	.	.	S	Bend	trans	-145.2	176	-176.6	60.5	-167.6	0.7	0	0	110.5	N213 T227	N213-Q229 PolarHBondContact OD1-NE2 3.18Å; T227-Q229 VanDerWaalsContact C-N 3.33Å
230	D	73.3	Confident	69.1	Low	64 Å²	64	45.7 Å²	45.7	34%	0.342	25%	0.246	S	C	.	.			trans	-72.2	126.4	169.7	-85.3	31.7	0	0	0	108.6	R151 L152 K154	R151-D230 IonicContact CZ-OD2 2.88Å; R151-D230 IonicContact NE-OD2 3.8Å; R151-D230 PolarHBondContact NE-OD2 2.84Å; R151-D230 IonicContact NH2-OD2 2.75Å; R151-D230 PolarHBondContact NH2-OD2 2.85Å; L152-D230 CarbonylContact O-C 3.27Å; L152-D230 WeakPolarHBondContact O-CA 3.43Å; K154-D230 VanDerWaalsContact CB-OD1 3.32Å; K154-D230 WeakPolarHBondContact CB-OD1 3.48Å; K154-D230 PolarHBondContact N-OD1 2.85Å
231	V	72.2	Confident	68.5	Low	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-109.2	125.3	-176.9	-167	0	0	0	0	109.2	V148 R151 L152 N213 T227 T235	V148-V231 HydrophobicContact CB-CG1 4.4Å; V148-V231 HydrophobicContact CG2-CB 4.3Å; V148-V231 HydrophobicContact CG2-CG1 3.69Å; R151-V231 CarbonylContact C-O 3.46Å; R151-V231 VanDerWaalsContact CA-O 3.31Å; R151-V231 WeakPolarHBondContact CA-O 3.26Å; L152-V231 HydrophobicContact CB-CB 4.28Å; L152-V231 PolarHBondContact N-O 3.02Å; L152-V231 PolarHBondContact O-N 2.84Å; N213-V231 HydrophobicContact CB-CG1 4.45Å; N213-V231 HydrophobicContact CB-CG2 3.91Å; T227-V231 HydrophobicContact CG2-CG2 4.33Å; V231-T235 HydrophobicContact CG1-CG2 4.07Å
232	L	68.2	Low	67.8	Low	102 Å²	102	42.3 Å²	42.3	53%	0.534	23%	0.232	S	C	.	.			trans	-82	155.4	-177	-63.2	178.8	0	0	0	111.9	T235	L232-T235 WeakPolarHBondContact O-CB 3.3Å; L232-T235 PolarHBondContact O-N 3.44Å; L232-T235 PolarHBondContact O-OG1 3.11Å
233	P	70.9	Confident	66.9	Low	74 Å²	74	43.6 Å²	43.6	48%	0.481	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	145.4	168.2	-25.1	35.5	0	0	0	112.3	V148 T235	V148-P233 CarbonylContact O-C 3.24Å; V148-P233 VanDerWaalsContact O-CA 3.28Å; V148-P233 WeakPolarHBondContact O-CA 3.15Å; P233-T235 VanDerWaalsContact C-N 3.25Å; P233-T235 PolarHBondContact O-N 3.46Å
234	G	66	Low	65.4	Low	61 Å²	61	50.3 Å²	50.3	63%	0.629	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-6.9	-175.9	0	0	0	0	0	115.1	V148	V148-G234 PolarHBondContact O-N 3.39Å
235	T	75.9	Confident	64	Low	50 Å²	50	58.4 Å²	58.4	31%	0.307	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-83.1	136.2	179.1	-37.6	0	0	0	0	111.2	F147 V148 N213 V231 L232 P233	F147-T235 WeakPolarHBondContact CA-O 3.43Å; V148-T235 PolarHBondContact N-O 3.21Å; N213-T235 WeakPolarHBondContact ND2-CG2 3.45Å; V231-T235 HydrophobicContact CG1-CG2 4.07Å; L232-T235 WeakPolarHBondContact O-CB 3.3Å; L232-T235 PolarHBondContact O-N 3.44Å; L232-T235 PolarHBondContact O-OG1 3.11Å; P233-T235 VanDerWaalsContact C-N 3.25Å; P233-T235 PolarHBondContact O-N 3.46Å
236	E	77.3	Confident	61.9	Low	23 Å²	23	62.6 Å²	62.6	11%	0.107	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-66.6	138.5	169.4	-161.7	-178	-166.3	0	0	110.7	F147 R204 N213 R238	F147-E236 HydrophobicContact CD1-CB 3.99Å; F147-E236 HydrophobicContact CE1-CB 3.65Å; F147-E236 HydrophobicContact CE1-CG 4.09Å; F147-E236 HydrophobicContact CE2-CG 4.17Å; F147-E236 HydrophobicContact CZ-CB 3.99Å; F147-E236 HydrophobicContact CZ-CG 3.9Å; R204-E236 IonicContact CZ-OE1 3.74Å; R204-E236 IonicContact NH1-OE1 2.68Å; R204-E236 PolarHBondContact NH1-OE1 2.89Å; N213-E236 PolarHBondContact ND2-O 3.43Å; E236-R238 HydrophobicContact CG-CG 4.38Å; E236-R238 IonicContact OE2-CZ 2.69Å; E236-R238 IonicContact OE2-NE 2.82Å; E236-R238 PolarHBondContact OE2-NE 3.25Å; E236-R238 IonicContact OE2-NH2 3.87Å; E236-R238 PolarHBondContact OE2-NH2 3.47Å
237	L	74.9	Confident	59.8	Low	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-77.1	125.9	167.7	-71.3	-177.8	0	0	0	109.1	L134 V146 V148 L152 W199 V203 L214	L134-L237 HydrophobicContact CD1-CD1 3.72Å; L134-L237 HydrophobicContact CD2-CD1 3.65Å; L134-L237 HydrophobicContact CD2-CG 4.32Å; L134-L237 HydrophobicContact CG-CD1 4.34Å; V146-L237 HydrophobicContact CG1-CD1 4.02Å; V146-L237 PolarHBondContact O-N 2.96Å; V148-L237 HydrophobicContact CG2-CD2 3.57Å; V148-L237 HydrophobicContact CG2-CG 3.92Å; L152-L237 HydrophobicContact CD1-CD2 4.1Å; W199-L237 HydrophobicContact CH2-CD1 4.27Å; W199-L237 HydrophobicContact CZ3-CD1 3.9Å; V203-L237 HydrophobicContact CG1-CB 3.99Å; V203-L237 WeakPolarHBondContact CG1-O 3.4Å; L214-L237 HydrophobicContact CD1-CB 3.96Å; L214-L237 HydrophobicContact CD1-CD1 4.19Å; L214-L237 HydrophobicContact CD1-CD2 4.06Å; L214-L237 HydrophobicContact CD1-CG 4.3Å; L214-L237 HydrophobicContact CG-CD2 4.23Å
238	R	71.8	Confident	57.7	Low	70 Å²	70	80.2 Å²	80.2	26%	0.264	42%	0.421	S	S	.	.			trans	-134.2	132.4	172.8	-62.3	-172.1	178.9	-148.5	3.5	111.5	R204 A206 N213 L214 E236	R204-R238 WeakPolarHBondContact O-CA 3.47Å; R204-R238 WeakPolarHBondContact O-CB 3.49Å; A206-R238 HydrophobicContact CB-CB 3.91Å; N213-R238 PolarHBondContact N-O 3.25Å; N213-R238 VanDerWaalsContact N-O 3.1Å; L214-R238 PolarHBondContact N-O 2.71Å; E236-R238 HydrophobicContact CG-CG 4.38Å; E236-R238 IonicContact OE2-CZ 2.69Å; E236-R238 IonicContact OE2-NE 2.82Å; E236-R238 PolarHBondContact OE2-NE 3.25Å; E236-R238 IonicContact OE2-NH2 3.87Å; E236-R238 PolarHBondContact OE2-NH2 3.47Å
239	V	73.4	Confident	55.6	Low	0 Å²	0	86.5 Å²	86.5	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.7	-178.7	174.4	0	0	0	0	109.7	V203 R204 P205 A206 L214 A216 F225 Y241	V203-V239 HydrophobicContact CG1-CB 4.47Å; V203-V239 HydrophobicContact CG1-CG2 3.6Å; R204-V239 PolarHBondContact O-N 3.38Å; R204-V239 VanDerWaalsContact O-N 3.14Å; P205-V239 CarbonylContact C-O 3.48Å; P205-V239 WeakPolarHBondContact CA-O 3.47Å; A206-V239 PolarHBondContact N-O 3.12Å; L214-V239 HydrophobicContact CB-CB 4.3Å; L214-V239 HydrophobicContact CB-CG2 3.52Å; L214-V239 HydrophobicContact CD1-CG2 3.66Å; L214-V239 HydrophobicContact CG-CG2 4.25Å; A216-V239 HydrophobicContact CB-CG1 4.21Å; F225-V239 HydrophobicContact CD1-CG1 4.27Å; F225-V239 HydrophobicContact CD1-CG2 3.86Å; F225-V239 HydrophobicContact CE1-CG1 4.15Å; F225-V239 HydrophobicContact CE1-CG2 4.09Å; V239-Y241 HydrophobicContact CB-CD2 4.28Å; V239-Y241 HydrophobicContact CB-CE1 4.38Å; V239-Y241 HydrophobicContact CB-CE2 3.58Å; V239-Y241 HydrophobicContact CG1-CD1 4.07Å; V239-Y241 HydrophobicContact CG1-CD2 4.02Å; V239-Y241 HydrophobicContact CG1-CE1 3.69Å; V239-Y241 HydrophobicContact CG1-CE2 3.64Å; V239-Y241 HydrophobicContact CG1-CG 4.22Å; V239-Y241 VanDerWaalsContact CG1-CZ 3.46Å
240	W	61.3	Low	53.6	Low	124 Å²	124	92.1 Å²	92.1	47%	0.47	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.5	167.5	-171	80.6	0	0	0	110.8	A206 Q212 L214	A206-W240 HydrophobicContact CB-CB 4.41Å; Q212-W240 HydrophobicContact CB-CB 4.48Å; Q212-W240 VanDerWaalsContact CD-CB 3.41Å; Q212-W240 HydrophobicContact CG-CB 3.71Å; L214-W240 PolarHBondContact O-N 3.36Å
241	Y	51.2	Low	51.5	Low	59 Å²	59	95.9 Å²	95.9	23%	0.231	49%	0.489	C	S	.	.			trans	-100.2	105.8	179.1	-60.7	-86.5	0	0	0	109.4	L177 P205 V239 A243	L177-Y241 HydrophobicContact CD2-CD1 4.35Å; L177-Y241 HydrophobicContact CD2-CE1 3.57Å; P205-Y241 HydrophobicContact CB-CD2 4.14Å; P205-Y241 HydrophobicContact CB-CE2 4.36Å; V239-Y241 HydrophobicContact CB-CD2 4.28Å; V239-Y241 HydrophobicContact CB-CE1 4.38Å; V239-Y241 HydrophobicContact CB-CE2 3.58Å; V239-Y241 HydrophobicContact CG1-CD1 4.07Å; V239-Y241 HydrophobicContact CG1-CD2 4.02Å; V239-Y241 HydrophobicContact CG1-CE1 3.69Å; V239-Y241 HydrophobicContact CG1-CE2 3.64Å; V239-Y241 HydrophobicContact CG1-CG 4.22Å; V239-Y241 VanDerWaalsContact CG1-CZ 3.46Å; Y241-A243 PolarHBondContact O-N 3.33Å; Y241-A243 VanDerWaalsContact O-N 3.1Å
242	G	42.1	Very low	49.3	Very low	34 Å²	34	101.9 Å²	101.9	35%	0.351	53%	0.529	S	S	.	.			trans	-80.4	88.3	-171.4	0	0	0	0	0	114.3	F244	G242-F244 PolarHBondContact O-N 3.17Å; G242-F244 VanDerWaalsContact O-N 3.09Å
243	A	35.7	Very low	47	Very low	73 Å²	73	103.8 Å²	103.8	60%	0.603	54%	0.536	S	S	*	.	S	Bend	trans	-72.8	94.9	163.3	0	0	0	0	0	109.9	F180 Y241	F180-A243 HydrophobicContact CD2-CB 4.49Å; F180-A243 HydrophobicContact CE2-CB 4.22Å; Y241-A243 PolarHBondContact O-N 3.33Å; Y241-A243 VanDerWaalsContact O-N 3.1Å
244	F	29.6	Very low	44.8	Very low	142 Å²	142	107.6 Å²	107.6	62%	0.623	55%	0.552	S	S	*	*	S	Bend	trans	52	92.3	170.6	-124.9	-90.2	0	0	0	115.5	G242 A246	G242-F244 PolarHBondContact O-N 3.17Å; G242-F244 VanDerWaalsContact O-N 3.09Å; F244-A246 PolarHBondContact O-N 3.16Å
245	Y	41.3	Very low	42.7	Very low	200 Å²	200	114.6 Å²	114.6	78%	0.784	57%	0.565	S	S	*	*			trans	-12.1	101.5	172.9	-85.4	-94.2	0	0	0	113.7	K247	Y245-K247 WeakPolarHBondContact O-CA 3.15Å; Y245-K247 PolarHBondContact O-N 3.48Å
246	A	28.1	Very low	40.5	Very low	97 Å²	97	119.5 Å²	119.5	80%	0.802	59%	0.588	S	S	*	*			trans	-49.3	114.6	-172.5	0	0	0	0	0	110.3	F244 K248	F244-A246 PolarHBondContact O-N 3.16Å; A246-K248 PolarHBondContact O-N 3.02Å
247	K	32.4	Very low	38.2	Very low	213 Å²	213	123.9 Å²	123.9	93%	0.926	62%	0.619	S	S	*	*	S	Bend	trans	-70.1	19.8	-147.4	-161.2	179.7	173.9	-179.3	0	115.8	Y245	Y245-K247 WeakPolarHBondContact O-CA 3.15Å; Y245-K247 PolarHBondContact O-N 3.48Å
248	K	29.9	Very low	36	Very low	193 Å²	193	129.8 Å²	129.8	84%	0.839	66%	0.657	S	S	*	*			trans	-162	78.4	-161.6	-158.2	174.3	-172.2	179.7	0	113.2	A246	A246-K248 PolarHBondContact O-N 3.02Å
249	M	24.4	Very low	34.1	Very low	157 Å²	157	132 Å²	132	77%	0.773	68%	0.681	S	S	*	*			trans	-142.6	61.2	159.8	-79.9	-150.8	-175.4	0	0	112.6	K251	M249-K251 VanDerWaalsContact SD-CE 3.5Å; M249-K251 HydrophobicContact SD-CG 4.49Å
250	E	26	Very low	32	Very low	196 Å²	196	140 Å²	140	92%	0.916	72%	0.722	S	S	*	*				-61.6	131.7	127.3	-67.6	178.3	131.7	0	0	107
251	K	28.1	Very low	31	Very low	143 Å²	143	139.3 Å²	139.3	62%	0.622	73%	0.734	S	S	*	*			trans	-102.1	143.1	170.8	-74.4	-173.2	177.2	-178.5	0	108.4	M249 M253	M249-K251 VanDerWaalsContact SD-CE 3.5Å; M249-K251 HydrophobicContact SD-CG 4.49Å; K251-M253 HydrophobicContact CD-CG 4.38Å
252	P	25.8	Very low	30.4	Very low	129 Å²	129	141.9 Å²	141.9	84%	0.838	76%	0.758	S	S	*	*				-103.8	175.5	92.4	29.7	-36	0	0	0	113.3
253	M	21.8	Very low	30.1	Very low	142 Å²	142	146.3 Å²	146.3	70%	0.7	78%	0.78	S	S	*	*			trans	-97.3	167	175.2	-70.7	-175.2	56.2	0	0	111.7	K251	K251-M253 HydrophobicContact CD-CG 4.38Å
254	L	24.5	Very low	29.7	Very low	153 Å²	153	145.8 Å²	145.8	80%	0.801	78%	0.783	S	S	*	*			trans	68.1	110.2	166.5	-59.7	170	0	0	0	117.3
255	K	21.9	Very low	29.4	Very low	209 Å²	209	144.1 Å²	144.1	91%	0.909	79%	0.788	S	S	*	*				-154.5	148.9	112.9	-108.8	169.1	-176.7	-179.7	0	110.9
256	L	29.5	Very low	28.7	Very low	152 Å²	152	145.5 Å²	145.5	80%	0.796	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.6	165.4	167.6	-105.5	67.1	0	0	0	110.1
257	P	29.1	Very low	28.6	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.4	141.2	176.2	29.5	-34.9	0	0	0	111.4
258	P	28.5	Very low	28.9	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-90.2	140.8	174.9	34.4	-32.4	0	0	0	112.2
259	P	32.4	Very low	28.7	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-94	128.5	160.3	33	-28	0	0	0	112.1
260	L	28	Very low	28.9	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	77%	0.774	S	S	*	*			trans	73.1	155.2	155.9	-63.6	173	0	0	0	120.4
261	P	41.1	Very low	29	Very low	111 Å²	111	133.8 Å²	133.8	72%	0.721	77%	0.766	S	S	*	*			trans	-100.4	-167.6	-173.2	44.5	-38.6	0	0	0	111.8
262	P	37.6	Very low	28.9	Very low	113 Å²	113	132.5 Å²	132.5	73%	0.734	77%	0.774	S	S	*	*			cis	-130.9	-135.8	3	42.2	-21.3	0	0	0	111.5
263	P	36.4	Very low	28.9	Very low	126 Å²	126	135.1 Å²	135.1	82%	0.818	77%	0.772	S	S	*	*				-94.9	-170.7	-62.6	39.1	-26.6	0	0	0	110.5
264	G	27.1	Very low	29.2	Very low	63 Å²	63	133 Å²	133	65%	0.649	77%	0.771	S	S	*	*			cis	159.1	158.9	-6.3	0	0	0	0	0	112.1
265	S	23.6	Very low	29.4	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	77%	0.773	S	S	*	*			trans	80.1	149.8	167.5	90	0	0	0	0	121.1
266	R	27	Very low	29.5	Very low	230 Å²	230	128.5 Å²	128.5	87%	0.868	76%	0.764	S	S	*	*			trans	61	101.8	155.2	-62.6	166.3	-162.8	-136.5	1.5	117.4
267	K	24.8	Very low	29.6	Very low	198 Å²	198	126 Å²	126	86%	0.861	76%	0.759	S	S	*	*				40	144.8	52.8	-93.2	-162.4	-179.6	-176.1	0	114.4
268	P	38.7	Very low	29.9	Very low	98 Å²	98	127.8 Å²	127.8	64%	0.636	76%	0.757	S	S	*	*			cis	-145.4	-153.7	-17	39	-16.2	0	0	0	113.3
269	T	26.7	Very low	30.1	Very low	114 Å²	114	128.9 Å²	128.9	70%	0.699	75%	0.751	S	S	*	*			trans	63	133.3	151	50.2	0	0	0	0	119.9
270	S	28.3	Very low	29.8	Very low	109 Å²	109	129 Å²	129	76%	0.762	75%	0.746	S	S	*	*			cis	96.9	117.8	14.6	83.6	0	0	0	0	118.3
271	A	28.2	Very low	29.6	Very low	90 Å²	90	131.2 Å²	131.2	74%	0.744	74%	0.743	S	S	*	*			trans	-156.6	132.7	141.9	0	0	0	0	0	106.8
272	C	25.8	Very low	28.7	Very low	116 Å²	116	132.5 Å²	132.5	78%	0.784	74%	0.743	S	S	*	*			cis	91.6	163.8	20.2	-151.5	0	0	0	0	114.9
273	F	26.4	Very low	29.6	Very low	184 Å²	184	133 Å²	133	81%	0.807	75%	0.746	S	S	*	*			trans	75.1	135.8	-168.5	-58.3	-84.2	0	0	0	115.4
274	S	28.6	Very low	29.3	Very low	97 Å²	97	134 Å²	134	68%	0.678	75%	0.745	S	S	*	*			cis	-159.1	168.2	-17.2	-119.3	0	0	0	0	109.8
275	I	27.3	Very low	29.3	Very low	164 Å²	164	138.9 Å²	138.9	84%	0.841	75%	0.753	S	S	*	*				-164.9	159.5	80.3	-83.3	166.2	0	0	0	110.4
276	C	25.1	Very low	29.6	Very low	105 Å²	105	142.7 Å²	142.7	71%	0.709	76%	0.756	S	S	*	*			trans	-40	151.4	-179.3	-65.8	0	0	0	0	118.2
277	S	31.4	Very low	30.9	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	75%	0.746	S	S	*	*			cis	82.3	155.2	36.9	-58.5	0	0	0	0	114.1
278	Q	34.5	Very low	30.8	Very low	154 Å²	154	132.5 Å²	132.5	72%	0.72	74%	0.742	S	S	*	*			cis	-154.5	178.2	2.9	-131.1	151.3	-86.1	0	0	108.1
279	Q	32.9	Very low	30.5	Very low	147 Å²	147	133.5 Å²	133.5	69%	0.687	75%	0.751	S	S	*	*			cis	-134.1	-100.9	3.6	-167.6	159.5	-97.1	0	0	112.1
280	D	26.6	Very low	30.8	Very low	118 Å²	118	135.5 Å²	135.5	63%	0.631	76%	0.757	S	S	*	*			cis	-171.9	155.8	-10.9	-134.9	16.8	0	0	0	106.8
281	W	22.8	Very low	31.9	Very low	214 Å²	214	135.6 Å²	135.6	81%	0.811	76%	0.755	S	S	*	*			cis	-152.3	-170.1	-4.1	39.6	-115.8	0	0	0	110.8
282	D	23.8	Very low	31.9	Very low	138 Å²	138	139.9 Å²	139.9	74%	0.738	76%	0.757	S	S	*	*			trans	-121.6	-178.4	-158.2	-88.1	-55.6	0	0	0	115
283	P	55.8	Low	32.3	Very low	122 Å²	122	140.6 Å²	140.6	79%	0.792	75%	0.752	S	S	*	*			cis	-138.8	-172.8	15.2	40.7	-19.1	0	0	0	119
284	D	29.6	Very low	32.4	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	75%	0.745	S	S	*	*			trans	-58.2	151.2	-172.3	-68.8	-73.5	0	0	0	120.9
285	M	27.3	Very low	32.4	Very low	165 Å²	165	139.2 Å²	139.2	81%	0.813	75%	0.752	S	S	*	*				-178.5	116.1	116.6	-101.1	-160.4	71.5	0	0	115.7
286	F	29.6	Very low	32.4	Very low	187 Å²	187	135.8 Å²	135.8	82%	0.82	74%	0.743	S	S	*	*			trans	60.2	164.2	137.9	-85.7	-72.9	0	0	0	120.9
287	P	54.2	Low	32.5	Very low	100 Å²	100	138.3 Å²	138.3	65%	0.649	75%	0.748	S	S	*	*				-134.4	-173.8	-110.6	48.8	-34.4	0	0	0	118.5
288	C	24.1	Very low	32.4	Very low	114 Å²	114	139.2 Å²	139.2	77%	0.77	75%	0.75	S	S	*	*			trans	94.2	126.9	144.6	-79.3	0	0	0	0	122.9
289	S	30.7	Very low	33.1	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	76%	0.756	S	S	*	*			trans	96.8	130.9	135.4	-64.2	0	0	0	0	123.3
290	N	33.3	Very low	33.2	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	76%	0.757	S	S	*	*			trans	-61	175	164	-82.5	-26.1	0	0	0	113.2
291	P	51	Low	33.7	Very low	111 Å²	111	136.8 Å²	136.8	72%	0.721	77%	0.768	S	S	*	*			cis	-155.3	173	32.2	46.4	-25	0	0	0	121.9
292	F	29.7	Very low	34.3	Very low	179 Å²	179	132.1 Å²	132.1	79%	0.785	76%	0.763	S	S	*	*			trans	63.9	122.3	136.4	-89.5	-132.2	0	0	0	126.4
293	I	33.1	Very low	34.9	Very low	131 Å²	131	132.8 Å²	132.8	67%	0.672	77%	0.766	S	S	*	*				78.7	115.7	124.2	-71.5	-166.8	0	0	0	125.3
294	S	29	Very low	33.8	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	76%	0.764	S	S	*	*			trans	56	129.3	134.9	86.2	0	0	0	0	128.7
295	L	28	Very low	34	Very low	157 Å²	157	133.6 Å²	133.6	82%	0.822	76%	0.763	S	S	*	*				62.7	111.8	128.3	-88.2	87	0	0	0	125.6
296	S	27.5	Very low	33.8	Very low	92 Å²	92	131.5 Å²	131.5	64%	0.643	77%	0.765	S	S	*	*				79.5	125.8	114.6	76.7	0	0	0	0	125.6
297	L	27.6	Very low	33.8	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	76%	0.762	S	S	*	*			trans	71.3	161.9	154.1	-56.8	171.1	0	0	0	117
298	T	29.1	Very low	32.9	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	77%	0.772	S	S	*	*			cis	-166.1	-173	-14.7	24.5	0	0	0	0	107.8
299	P	48.6	Very low	32.9	Very low	131 Å²	131	133.7 Å²	133.7	85%	0.851	78%	0.78	S	S	*	*			cis	-126.8	-137.2	-5.3	43	-23.8	0	0	0	112.6
300	G	36.8	Very low	32.7	Very low	67 Å²	67	132.4 Å²	132.4	69%	0.691	78%	0.776	S	S	*	*			trans	-176.5	174.1	170.4	0	0	0	0	0	116.1
301	I	36.8	Very low	32.4	Very low	170 Å²	170	130.2 Å²	130.2	87%	0.872	77%	0.773	S	S	*	*			trans	-163.7	161.6	164.8	-108.7	163.5	0	0	0	110.8
302	T	34.2	Very low	31.2	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	77%	0.772	S	S	*	*			trans	-48.1	158.8	-179.6	50.6	0	0	0	0	116.7
303	L	37.9	Very low	31.1	Very low	152 Å²	152	130.1 Å²	130.1	80%	0.796	77%	0.773	S	S	*	*			cis	-171.7	178.6	-1.2	-107.1	171.2	0	0	0	107.7
304	D	32.2	Very low	30.9	Very low	142 Å²	142	128.8 Å²	128.8	76%	0.759	78%	0.775	S	S	*	*			cis	-142.4	-103.7	-3.4	-179	49.9	0	0	0	112.1
305	L	32.5	Very low	30.9	Very low	145 Å²	145	131.6 Å²	131.6	76%	0.759	78%	0.782	S	S	*	*			trans	-134.1	134.8	-159.1	-171.8	75.7	0	0	0	115.7
306	S	24.7	Very low	31	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	78%	0.784	S	S	*	*			trans	-166	173.6	153.3	-89.7	0	0	0	0	112.6
307	S	28.3	Very low	30.9	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	79%	0.787	S	S	*	*			trans	-72.2	164.8	-171	-166	0	0	0	0	115.3
308	E	36.4	Very low	31.7	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	79%	0.788	S	S	*	*			trans	-43.4	128	174.1	-53.1	170.7	110.7	0	0	115
309	V	24	Very low	31.7	Very low	155 Å²	155	127 Å²	127	94%	0.939	79%	0.788	S	S	*	*				-153.4	-170.5	117.1	-139.2	0	0	0	0	109
310	A	26.7	Very low	30.9	Very low	91 Å²	91	127.5 Å²	127.5	75%	0.752	79%	0.789	S	S	*	*			trans	-99.4	173.5	-173.8	0	0	0	0	0	114.9
311	S	25.6	Very low	30.6	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	80%	0.795	S	S	*	*			trans	99.4	141.4	152.2	-129.2	0	0	0	0	120.8
312	V	27.3	Very low	30.6	Very low	113 Å²	113	133.4 Å²	133.4	69%	0.685	79%	0.794	S	S	*	*			trans	37.8	127	160.7	-90.6	0	0	0	0	125.1
313	Q	27.9	Very low	30.6	Very low	174 Å²	174	131.5 Å²	131.5	81%	0.813	80%	0.798	S	S	*	*			trans	56.4	131.8	130.1	-71.5	169.9	-23.6	0	0	124.7
314	S	28.8	Very low	30.4	Very low	103 Å²	103	134.1 Å²	134.1	72%	0.72	80%	0.803	S	S	*	*			trans	89	119.2	135.5	-72.4	0	0	0	0	125
315	L	29.1	Very low	31.4	Very low	154 Å²	154	132 Å²	132	81%	0.806	80%	0.797	S	S	*	*				75.5	119.3	127.1	-64.8	169.9	0	0	0	124.7
316	V	28.8	Very low	31.9	Very low	142 Å²	142	133.3 Å²	133.3	86%	0.861	80%	0.799	S	S	*	*			trans	81.1	157.6	141.4	-178.1	0	0	0	0	119.3
317	A	25.5	Very low	32.4	Very low	86 Å²	86	134.7 Å²	134.7	71%	0.711	80%	0.802	S	S	*	*			trans	-124.3	-167.3	-166.2	0	0	0	0	0	112.2
318	P	44.6	Very low	33.2	Very low	130 Å²	130	134 Å²	134	84%	0.844	80%	0.803	S	S	*	*			cis	-139.1	176.9	-6.4	43.2	-25.7	0	0	0	117.4
319	G	28.6	Very low	33.6	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	80%	0.804	S	S	*	*			trans	144.1	118.3	146.9	0	0	0	0	0	123.5
320	V	31.3	Very low	34.2	Very low	143 Å²	143	133.1 Å²	133.1	87%	0.867	80%	0.797	S	S	*	*			trans	67.6	132	133.4	-172.9	0	0	0	0	124.6
321	E	31.8	Very low	34.8	Very low	176 Å²	176	134 Å²	134	82%	0.822	80%	0.797	S	S	*	*			trans	81.1	166.7	156.9	-81.5	-66.2	146.4	0	0	124.3
322	E	35.7	Very low	35.3	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	80%	0.8	S	S	*	*			trans	-90.1	150.5	-157.6	-65	-167	147.2	0	0	120.5
323	G	35.8	Very low	35.5	Very low	75 Å²	75	144 Å²	144	77%	0.773	81%	0.81	S	S	*	*				123.4	126.8	117.1	0	0	0	0	0	124.4
324	K	33	Very low	35.8	Very low	208 Å²	208	147.6 Å²	147.6	90%	0.904	82%	0.817	S	S	*	*			trans	89.7	-177.1	139.6	-112	-179.4	-176.2	168.1	0	120.6
325	P	53.9	Low	36.1	Very low	97 Å²	97	146 Å²	146	63%	0.63	82%	0.817	S	S	*	*				-140.1	-177.6	-127.3	47.2	-27.3	0	0	0	121
326	H	42.2	Very low	36.2	Very low	173 Å²	173	148.6 Å²	148.6	80%	0.801	83%	0.825	S	S	*	*			trans	67.1	136.7	154.3	-72	-63.7	0	0	0	123.2
327	T	35.1	Very low	36.2	Very low	151 Å²	151	144.9 Å²	144.9	93%	0.926	82%	0.815	S	S	*	*				162.9	-172.2	119.4	44.3	0	0	0	0	113.6
328	A	46	Very low	36.5	Very low	95 Å²	95	153.4 Å²	153.4	79%	0.785	83%	0.829	S	S	*	*			trans	-162	161	-167.8	0	0	0	0	0	116.1
329	Q	42.9	Very low	35.8	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	82%	0.824	S	S	*	*			trans	-170.2	159.3	162.3	-115.5	-164.8	20	0	0	119.2
330	V	37.9	Very low	36.1	Very low	130 Å²	130	158 Å²	158	79%	0.788	83%	0.83	S	S	*	*			trans	77	176.1	147.3	172.9	0	0	0	0	121.1
331	C	38.1	Very low	36	Very low	110 Å²	110	161.8 Å²	161.8	74%	0.743	83%	0.829	S	S	*	*			trans	-161.3	146.3	-145.1	161.6	0	0	0	0	115.7
332	R	36.7	Very low	35.9	Very low	226 Å²	226	158.3 Å²	158.3	85%	0.853	83%	0.83	S	S	*	*			trans	175.5	141.1	141	-102	169.2	-179	-162.1	2.8	118.7
333	K	32.4	Very low	35.7	Very low	207 Å²	207	161.5 Å²	161.5	90%	0.9	83%	0.834	S	S	*	*			trans	63.4	-176.9	148.9	-76.8	-171.3	174.2	-177.2	0	122
334	R	34.7	Very low	35.2	Very low	251 Å²	251	161.4 Å²	161.4	95%	0.947	83%	0.833	S	S	*	*			trans	-168.4	148.8	-133.6	-171.9	-168.1	-163.6	-162.8	8.8	116.4
335	G	33.6	Very low	34.8	Very low	70 Å²	70	163.8 Å²	163.8	72%	0.722	84%	0.836	S	S	*	*			trans	104.9	159.9	154.1	0	0	0	0	0	116.9
336	Q	32.4	Very low	33.7	Very low	207 Å²	207	170.4 Å²	170.4	97%	0.967	85%	0.849	S	S	*	*			cis	-153.8	-175.9	-0.6	-57.6	-168.8	88.4	0	0	108.7
337	G	29.1	Very low	33.7	Very low	65 Å²	65	168 Å²	168	67%	0.67	85%	0.849	S	S	*	*			cis	169.6	-169	3.6	0	0	0	0	0	112.8
338	R	30.2	Very low	33.4	Very low	264 Å²	264	164.2 Å²	164.2	100%	0.996	84%	0.839	S	S	*	*			trans	76.1	131.6	-178	-53.9	-174	179.2	-154.7	1	117.2
339	G	31	Very low	32.5	Very low	72 Å²	72	166.5 Å²	166.5	74%	0.742	84%	0.844	S	S	*	*			cis	168.3	143.2	-19.3	0	0	0	0	0	117.6
340	R	34.1	Very low	31.8	Very low	227 Å²	227	161 Å²	161	86%	0.857	84%	0.837	S	S	*	*			trans	70.5	153.4	166.4	-61.9	-177.7	175.5	-167	-2.3	116.7
341	R	30.2	Very low	32.1	Very low	222 Å²	222	159.6 Å²	159.6	84%	0.838	83%	0.831	S	S	*	*			cis	-155.1	148.6	1.1	-129.1	173	-175.5	177	-0.8	108.1
342	A	29.8	Very low	31.4	Very low	102 Å²	102	163.8 Å²	163.8	84%	0.843	84%	0.837	S	S	*	*			trans	-157	162.4	-175.6	0	0	0	0	0	117.3
343	R	30.8	Very low	30.9	Very low	252 Å²	252	158.9 Å²	158.9	95%	0.951	83%	0.832	S	S	*	*			trans	-156.2	149.9	163.4	-72.9	-175.4	176.5	-177.7	-1.1	108.7
344	G	24.5	Very low	30.7	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	83%	0.827	S	S	*	*			cis	123.2	83	-36.9	0	0	0	0	0	118.8
345	R	25.9	Very low	30.3	Very low	257 Å²	257	153.9 Å²	153.9	97%	0.97	83%	0.825	S	S	*	*			trans	-161	149.2	148.4	-113.8	171.2	-159.3	-112.9	2.6	115.9
346	R	30.7	Very low	29.9	Very low	237 Å²	237	154.5 Å²	154.5	89%	0.894	82%	0.819	S	S	*	*			trans	-86.1	-176.9	179.3	-88.3	-175.9	-172.5	-177.2	2.6	111
347	P	41	Very low	29.6	Very low	123 Å²	123	154.6 Å²	154.6	80%	0.799	82%	0.816	S	S	*	*			cis	-147	-178.3	25.3	44.6	-24.1	0	0	0	119.6
348	G	30.6	Very low	29.6	Very low	71 Å²	71	155 Å²	155	73%	0.732	82%	0.819	S	S	*	*			trans	-136.2	176.3	148.3	0	0	0	0	0	108.8
349	T	26.4	Very low	29.3	Very low	143 Å²	143	150.5 Å²	150.5	88%	0.877	81%	0.813	S	S	*	*			trans	-131.1	125.9	-173.5	42.9	0	0	0	0	113.1
350	G	27.6	Very low	28.9	Very low	72 Å²	72	153.3 Å²	153.3	74%	0.742	82%	0.817	S	S	*	*			trans	-97.5	-138.7	150.2	0	0	0	0	0	109
351	P	44.5	Very low	30.2	Very low	100 Å²	100	147.9 Å²	147.9	65%	0.649	81%	0.81	S	S	*	*			cis	-124.2	-168.3	7.6	44.2	-26.9	0	0	0	111.5
352	F	23.3	Very low	29.9	Very low	198 Å²	198	144.2 Å²	144.2	87%	0.868	81%	0.807	S	S	*	*				-147.5	164.4	72.2	-102.9	-84.5	0	0	0	113.8
353	T	25.3	Very low	29.7	Very low	123 Å²	123	146 Å²	146	76%	0.755	80%	0.801	S	S	*	*			trans	-141.4	142.6	-172.1	55.7	0	0	0	0	114.8
354	S	30	Very low	29.4	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	79%	0.788	S	S	*	*			trans	-22.4	143.4	165.6	59.8	0	0	0	0	121.1
355	R	24.5	Very low	29.4	Very low	239 Å²	239	143.6 Å²	143.6	90%	0.902	79%	0.788	S	S	*	*			trans	-158.9	156.3	151	-100	-178.3	162.9	171.3	-7.1	109.6
356	S	25.8	Very low	29.3	Very low	84 Å²	84	136 Å²	136	59%	0.587	77%	0.774	S	S	*	*			cis	-177.8	128.6	-33.1	49.7	0	0	0	0	112.7
357	K	26.2	Very low	29.1	Very low	209 Å²	209	132.1 Å²	132.1	91%	0.909	77%	0.771	S	S	*	*			trans	62	149.9	153.6	-54.3	170.1	-176.9	-177.4	0	118.2
358	G	29.2	Very low	28.2	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	77%	0.77	S	S	*	*			cis	126	104.8	-5	0	0	0	0	0	113.7
359	I	23.8	Very low	28.6	Very low	170 Å²	170	134.7 Å²	134.7	87%	0.872	77%	0.766	S	S	*	*			trans	-137.1	157.7	175.9	-63.8	-177.8	0	0	0	109.1
360	T	23.5	Very low	28.5	Very low	132 Å²	132	136.1 Å²	136.1	81%	0.81	76%	0.76	S	S	*	*			trans	-129.5	-170.4	-170.8	71.4	0	0	0	0	111.3
361	P	61	Low	28.4	Very low	112 Å²	112	139.3 Å²	139.3	73%	0.727	76%	0.76	S	S	*	*			trans	-106.1	169.4	-131.6	35.9	-18	0	0	0	115.1
362	N	24.2	Very low	27.4	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	76%	0.757	S	S	*	*			trans	-169.2	136.9	171.3	-106.1	-15.1	0	0	0	110.5
363	I	25.7	Very low	27.5	Very low	140 Å²	140	138.5 Å²	138.5	72%	0.718	75%	0.754	S	S	*	*				74.6	140.6	104	-72.8	177.9	0	0	0	114.9
364	L	23.9	Very low	27.5	Very low	129 Å²	129	138.9 Å²	138.9	68%	0.675	75%	0.751	S	S	*	*			cis	-172.6	122.9	-16.7	-179.2	132.7	0	0	0	110.9
365	I	24.3	Very low	27.1	Very low	146 Å²	146	138.7 Å²	138.7	75%	0.749	74%	0.744	S	S	*	*			trans	45.6	147	139	-56.3	170.9	0	0	0	121.4
366	S	24.8	Very low	27.2	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	74%	0.738	S	S	*	*			trans	90.1	143.9	165.5	85.8	0	0	0	0	115.6
367	N	25.3	Very low	27.1	Very low	156 Å²	156	137 Å²	137	83%	0.834	74%	0.741	S	S	*	*			cis	-136.9	163.2	10.3	-110.4	-48.9	0	0	0	114.3
368	L	22.9	Very low	26.9	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	73%	0.73	S	S	*	*			trans	-72	168.3	168.7	-132.4	78.9	0	0	0	110.7
369	P	37.6	Very low	26.7	Very low	101 Å²	101	138.6 Å²	138.6	66%	0.656	73%	0.734	S	S	*	*				-160.6	141.8	71.2	39	-15.8	0	0	0	121
370	K	25.6	Very low	26.6	Very low	173 Å²	173	135.7 Å²	135.7	75%	0.752	73%	0.728	S	S	*	*			trans	70.7	163.1	135	-65	168.6	-172	173.5	0	118.2
371	L	24.4	Very low	26.6	Very low	140 Å²	140	135.9 Å²	135.9	73%	0.733	73%	0.729	S	S	*	*			cis	-144.8	103.4	8.2	-152.2	100.5	0	0	0	110.7
372	T	25	Very low	24.9	Very low	97 Å²	97	138.9 Å²	138.9	60%	0.595	73%	0.733	S	S	*	*				72.8	137.7	108.5	71	0	0	0	0	122.9
373	K	25.5	Very low	25.3	Very low	184 Å²	184	137.5 Å²	137.5	80%	0.8	73%	0.732	S	S	*	*			trans	72.7	155.8	137.8	-73.5	169.7	173.7	-172.7	0	118.2
374	L	23.7	Very low	25.2	Very low	131 Å²	131	136.2 Å²	136.2	69%	0.686	73%	0.734	S	S	*	*			cis	-148.6	129.5	6.5	-158.4	66	0	0	0	114.2
375	V	23.1	Very low	25.2	Very low	110 Å²	110	138.8 Å²	138.8	67%	0.667	74%	0.74	S	S	*	*			trans	23.7	140.5	140.3	-169.4	0	0	0	0	122.6
376	H	25.7	Very low	25.1	Very low	167 Å²	167	138.4 Å²	138.4	77%	0.773	74%	0.738	S	S	*	*			trans	154.9	153.7	132.7	-82.3	106.9	0	0	0	110.5
377	D	23.7	Very low	25.1	Very low	119 Å²	119	139.6 Å²	139.6	64%	0.636	74%	0.736	S	S	*	*			cis	-154.3	175.8	-21	-175	29.8	0	0	0	109.6
378	N	22.3	Very low	25.1	Very low	129 Å²	129	138.4 Å²	138.4	69%	0.69	73%	0.725	S	S	*	*			trans	-63.3	149.6	174.2	-62.2	-95.3	0	0	0	115.1
379	K	24.6	Very low	25.2	Very low	187 Å²	187	138.1 Å²	138.1	81%	0.813	72%	0.724	S	S	*	*				168.1	127	113.7	-93.6	160.2	-175.1	163.2	0	116.2
380	S	21.8	Very low	24.6	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	72%	0.72	S	S	*	*				50.9	147.7	125.2	-90	0	0	0	0	125.5
381	V	23.5	Very low	24.5	Very low	135 Å²	135	137.1 Å²	137.1	82%	0.818	72%	0.72	S	S	*	*			trans	88.8	131.4	139.5	163	0	0	0	0	120.5
382	H	26.1	Very low	24.6	Very low	175 Å²	175	135.1 Å²	135.1	81%	0.81	72%	0.718	S	S	*	*			trans	-65.7	145.9	164.2	-90.9	-74.8	0	0	0	111.4
383	P	31.1	Very low	24.6	Very low	117 Å²	117	136.4 Å²	136.4	76%	0.76	73%	0.726	S	S	*	*				-154.2	-175.2	86.2	40.5	-21.2	0	0	0	116
384	C	24.2	Very low	24.8	Very low	112 Å²	112	133.3 Å²	133.3	76%	0.757	73%	0.725	S	S	*	*			trans	-78	179.9	161	-58.6	0	0	0	0	112.2
385	K	23.6	Very low	24.8	Very low	184 Å²	184	136.3 Å²	136.3	80%	0.8	73%	0.732	S	S	*	*			trans	94.8	138.3	152.8	-83.4	-178.4	171.9	-178	0	119.3
386	I	23.3	Very low	24.9	Very low	138 Å²	138	136 Å²	136	71%	0.708	74%	0.741	S	S	*	*			trans	77	137.3	137.6	-72.6	178.3	0	0	0	116.2
387	L	23.3	Very low	24.9	Very low	121 Å²	121	131.4 Å²	131.4	63%	0.634	74%	0.739	S	S	*	*			cis	-159.7	158.9	-6	-116.7	-180	0	0	0	112
388	Q	25.4	Very low	25.7	Very low	131 Å²	131	131.7 Å²	131.7	61%	0.612	75%	0.747	S	S	*	*			trans	60.7	170.1	146.3	-91.1	157.9	-2	0	0	118.9
389	L	26.1	Very low	25.8	Very low	141 Å²	141	129.9 Å²	129.9	74%	0.738	75%	0.75	S	S	*	*			cis	-118.8	132.1	10.3	-76.8	166.6	0	0	0	109.7
390	N	24.9	Very low	25.6	Very low	107 Å²	107	130.9 Å²	130.9	57%	0.572	75%	0.75	S	S	*	*				65.3	147.1	89.1	-68.5	-3.5	0	0	0	113.5
391	L	24.4	Very low	25.7	Very low	146 Å²	146	130 Å²	130	76%	0.764	74%	0.74	S	S	*	*			cis	-153.1	172.9	9.7	-146.6	63.4	0	0	0	106.4
392	S	24.9	Very low	25.6	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	73%	0.734	S	S	*	*			cis	-154.7	159	15	-40.3	0	0	0	0	112.5
393	T	26.1	Very low	25.6	Very low	124 Å²	124	126.1 Å²	126.1	76%	0.761	73%	0.728	S	S	*	*			trans	-113.6	156.1	151.8	53.1	0	0	0	0	109.1
394	P	29.8	Very low	25.4	Very low	119 Å²	119	127.4 Å²	127.4	77%	0.773	73%	0.728	S	S	*	*				-123.4	138.4	116.4	-0.7	21.6	0	0	0	110.4
395	K	23.8	Very low	25.3	Very low	194 Å²	194	130 Å²	130	84%	0.843	73%	0.731	S	S	*	*				63.9	104.4	62	-70.4	-174.2	173.7	-178.8	0	114.4
396	A	24.4	Very low	25.4	Very low	103 Å²	103	126.6 Å²	126.6	85%	0.851	73%	0.729	S	S	*	*				-177.8	135.9	120.9	0	0	0	0	0	112.4
397	G	26.4	Very low	25.4	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	73%	0.725	S	S	*	*			trans	-105.3	-179.8	135.2	0	0	0	0	0	107.9
398	P	39.3	Very low	25.5	Very low	125 Å²	125	125 Å²	125	81%	0.812	73%	0.733	S	S	*	*			cis	-144.2	176.1	33.5	43	-24.7	0	0	0	117.1
399	A	23.9	Very low	25.5	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	74%	0.736	S	S	*	*			trans	44.3	148.2	138.2	0	0	0	0	0	125.2
400	Y	21.9	Very low	25.5	Very low	208 Å²	208	126.7 Å²	126.7	82%	0.816	74%	0.742	S	S	*	*			trans	99.8	104.2	133.7	-129.9	-119	0	0	0	121.5
401	V	23.2	Very low	25.5	Very low	90 Å²	90	126 Å²	126	55%	0.545	75%	0.745	S	S	.	*			trans	61.3	165	136.6	-53.7	0	0	0	0	124.6
402	D	22.3	Very low	25.5	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	75%	0.745	S	S	*	*			trans	73	113.6	159.5	-79	-53.8	0	0	0	117.2
403	S	24.9	Very low	25.5	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	75%	0.753	S	S	*	*				88.6	151.4	78.2	-71.4	0	0	0	0	110.7
404	L	26.3	Very low	25.3	Very low	143 Å²	143	127.1 Å²	127.1	75%	0.749	75%	0.753	S	S	*	*			cis	-155.9	140	21	-163	76.9	0	0	0	109.8
405	M	23.7	Very low	25.1	Very low	166 Å²	166	125.4 Å²	125.4	82%	0.818	76%	0.757	S	S	*	*			trans	43.4	173	146.4	-57.2	-58.5	165.6	0	0	120.6
406	C	24	Very low	25.1	Very low	114 Å²	114	124.6 Å²	124.6	77%	0.77	76%	0.761	S	S	*	*			cis	-133.1	150.6	16.2	-90.4	0	0	0	0	110.5
407	A	25.1	Very low	25	Very low	74 Å²	74	127.7 Å²	127.7	61%	0.612	76%	0.758	S	S	*	*				61.7	137.6	69.5	0	0	0	0	0	113.8
408	D	24.8	Very low	24.8	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	76%	0.759	S	S	*	*			cis	-154.3	-164.7	-5.3	-100.5	-30	0	0	0	108
409	V	24.9	Very low	24	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.685	76%	0.758	S	S	*	*				169.6	135.8	69	167.2	0	0	0	0	110.3
410	K	25.7	Very low	24	Very low	196 Å²	196	131.2 Å²	131.2	85%	0.852	76%	0.757	S	S	*	*			trans	67.7	157.9	157.6	-78.2	174.7	-176.6	176.6	0	120.7
411	S	25.1	Very low	24.2	Very low	93 Å²	93	126.5 Å²	126.5	65%	0.65	75%	0.754	S	S	*	*			cis	-170	173.4	-27.4	-144.3	0	0	0	0	113.4
412	M	25.6	Very low	24.3	Very low	152 Å²	152	131 Å²	131	75%	0.749	77%	0.77	S	S	*	*			trans	10.5	146.1	134.2	-66.7	-74.9	95.9	0	0	119.2
413	L	23.9	Very low	24.7	Very low	164 Å²	164	129.4 Å²	129.4	86%	0.859	77%	0.774	S	S	*	*			cis	-143.7	174.4	10.5	-92.9	128.7	0	0	0	107.2
414	G	23	Very low	24.7	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	78%	0.782	S	S	*	*			cis	130	148.4	22.6	0	0	0	0	0	108.1
415	G	24.6	Very low	24.7	Very low	84 Å²	84	127.9 Å²	127.9	87%	0.866	79%	0.788	S	S	*	*			trans	157.2	116.5	179.2	0	0	0	0	0	115.2
416	L	23.6	Very low	25	Very low	176 Å²	176	124 Å²	124	92%	0.921	78%	0.782	S	S	*	*			trans	-124.9	130.8	168.8	-88.9	162.4	0	0	0	107.4
417	E	23.1	Very low	25.3	Very low	169 Å²	169	123.7 Å²	123.7	79%	0.79	78%	0.782	S	S	*	*			trans	-160.1	131.3	153.8	-80.5	-135.5	111.5	0	0	106.1
418	L	22.2	Very low	25.4	Very low	141 Å²	141	128.3 Å²	128.3	74%	0.738	79%	0.791	S	S	*	*				64.5	137.1	70.1	-64.6	166.3	0	0	0	112.8
419	V	22.2	Very low	25.6	Very low	129 Å²	129	126.5 Å²	126.5	78%	0.782	79%	0.79	S	S	*	*			cis	172.6	122.1	-31.9	137.2	0	0	0	0	105.2
420	A	24.5	Very low	25.9	Very low	89 Å²	89	127 Å²	127	74%	0.736	80%	0.799	S	S	*	*			trans	-170	137.4	161.2	0	0	0	0	0	106.8
421	S	26.1	Very low	25.9	Very low	109 Å²	109	121.4 Å²	121.4	76%	0.762	80%	0.796	S	S	*	*			cis	69.5	127.7	43.6	-51.3	0	0	0	0	111.2
422	E	25.9	Very low	26.1	Very low	186 Å²	186	124.8 Å²	124.8	87%	0.869	81%	0.806	S	S	*	*			cis	-131.9	158.9	13.9	-64.4	166.8	124.7	0	0	109.9
423	A	29.2	Very low	26.2	Very low	97 Å²	97	124.9 Å²	124.9	80%	0.802	81%	0.808	S	S	*	*			cis	95.1	108.3	20.9	0	0	0	0	0	116
424	A	26	Very low	26.3	Very low	102 Å²	102	123 Å²	123	84%	0.843	80%	0.804	S	S	*	*			trans	-154.8	109.2	165.4	0	0	0	0	0	112.1
425	A	26.6	Very low	26.7	Very low	107 Å²	107	124.6 Å²	124.6	88%	0.884	80%	0.804	S	S	*	*			trans	56.1	139.9	165.6	0	0	0	0	0	120.5
426	A	28.7	Very low	26.8	Very low	84 Å²	84	124.9 Å²	124.9	69%	0.694	79%	0.791	S	S	*	*			cis	-166	157.5	-16	0	0	0	0	0	111
427	S	30.9	Very low	27	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	79%	0.788	S	S	*	*			trans	58	143.1	161.6	51.7	0	0	0	0	119.9
428	E	27.5	Very low	27.1	Very low	172 Å²	172	119.8 Å²	119.8	80%	0.804	79%	0.789	S	S	*	*			cis	-164.8	136.5	-5.2	-119.1	176.1	-179.8	0	0	111.4
429	S	29.3	Very low	27.3	Very low	111 Å²	111	117.5 Å²	117.5	78%	0.776	79%	0.79	S	S	*	*			trans	57.1	156.3	156.9	74.4	0	0	0	0	121
430	S	31.1	Very low	27.5	Very low	125 Å²	125	117.5 Å²	117.5	87%	0.874	79%	0.791	S	S	*	*			cis	-166.8	150.6	-26.1	-90.9	0	0	0	0	109.2
431	G	25.3	Very low	27.8	Very low	77 Å²	77	119 Å²	119	79%	0.794	79%	0.791	S	S	*	*			trans	129.1	138.8	168.1	0	0	0	0	0	116
432	L	30	Very low	28	Very low	165 Å²	165	121.5 Å²	121.5	86%	0.864	79%	0.79	S	S	*	*			trans	-133.4	166.7	-169.2	-75	170.4	0	0	0	114
433	L	26.8	Very low	28.2	Very low	153 Å²	153	123.2 Å²	123.2	80%	0.801	79%	0.789	S	S	*	*			trans	122.7	118	141.9	-64.8	-176.4	0	0	0	118.6
434	T	26.4	Very low	28.2	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	80%	0.795	S	S	*	*			trans	41.9	159.8	138.3	19.5	0	0	0	0	122.5
435	S	30	Very low	28.6	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	80%	0.796	S	S	*	*			cis	-152	-162.2	-0.3	-147.9	0	0	0	0	113.5
436	C	27.8	Very low	28.8	Very low	90 Å²	90	139.7 Å²	139.7	61%	0.608	80%	0.799	S	S	*	*			trans	-94.6	-176.9	-159.3	55.7	0	0	0	0	120.1
437	D	26.8	Very low	28.9	Very low	159 Å²	159	139.9 Å²	139.9	85%	0.85	80%	0.8	S	S	*	*			trans	72.9	157.8	149.1	-59.1	-28.5	0	0	0	124.3
438	G	25.9	Very low	29	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	80%	0.804	S	S	*	*			trans	131.4	134.8	160.8	0	0	0	0	0	116.6
439	A	26	Very low	29.5	Very low	92 Å²	92	143.5 Å²	143.5	76%	0.76	80%	0.796	S	S	*	*			trans	-144.1	164.1	179.6	0	0	0	0	0	115.1
440	T	27.5	Very low	30	Very low	130 Å²	130	147.4 Å²	147.4	80%	0.798	80%	0.802	S	S	*	*			trans	69.7	115.1	159.3	44.2	0	0	0	0	122.6
441	V	31	Very low	30.5	Very low	120 Å²	120	150 Å²	150	73%	0.727	80%	0.797	S	S	*	*				93.8	122.6	125.3	173.4	0	0	0	0	121.9
442	Q	29.7	Very low	31.7	Very low	161 Å²	161	156.9 Å²	156.9	75%	0.752	80%	0.799	S	S	*	*			trans	76.8	119	153.8	-80.5	175.3	54.7	0	0	124.8
443	R	30.6	Very low	33.1	Very low	223 Å²	223	152.9 Å²	152.9	84%	0.842	78%	0.781	S	S	*	*			trans	41.4	106.3	136.9	-60.4	179.1	179.3	-178	1.6	121.1
444	R	28.6	Very low	34.7	Very low	249 Å²	249	150.4 Å²	150.4	94%	0.94	76%	0.762	S	S	*	*				-179	177.6	115.9	-104.5	175.5	168.7	177.2	-3.9	113.3
445	H	34.1	Very low	36.2	Very low	185 Å²	185	151.7 Å²	151.7	86%	0.856	75%	0.753	S	S	*	*			trans	-79.9	137	-175.9	-63.7	-143.2	0	0	0	113.1
446	K	30.8	Very low	38	Very low	217 Å²	217	146.6 Å²	146.6	94%	0.943	72%	0.717	S	S	*	*				-174.2	-176.1	112.8	-108.8	-179.1	175.7	-179.3	0	111
447	A	30.4	Very low	39.4	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	73%	0.727	S	S	*	*			trans	-119.1	177.6	-158.6	0	0	0	0	0	114.7
448	R	34.3	Very low	41	Very low	221 Å²	221	145.4 Å²	145.4	83%	0.834	71%	0.713	S	S	*	*			trans	71.5	153.6	170.5	-62	-174.6	100	146.7	8	116.2
449	E	38.3	Very low	42.9	Very low	135 Å²	135	144 Å²	144	63%	0.631	69%	0.69	S	S	*	*			cis	-169.7	138.6	-24.7	177.8	154	-140.6	0	0	108
450	H	38.5	Very low	44.4	Very low	194 Å²	194	142.5 Å²	142.5	90%	0.898	68%	0.675	S	S	*	*			trans	167.6	119.7	156.2	-93.2	-57.5	0	0	0	110.7
451	K	42.8	Very low	46.2	Very low	180 Å²	180	142.7 Å²	142.7	78%	0.783	66%	0.664	S	S	*	*			trans	-117.8	111.7	166.6	-78.3	178.1	178.5	169	0	109.8
452	R	50.1	Low	47.8	Very low	221 Å²	221	141.8 Å²	141.8	83%	0.834	65%	0.654	S	S	*	*			trans	-71.3	149.6	169.1	-60.8	-173.8	-169.4	177.5	5.2	109.9
453	V	58.8	Low	49.7	Very low	81 Å²	81	136.6 Å²	136.6	49%	0.491	63%	0.629	S	S	.	*			trans	-126.7	132.3	-177.3	-132.1	0	0	0	0	109.6	I462	V453-I462 HydrophobicContact CB-CG2 3.59Å; V453-I462 HydrophobicContact CG1-CG2 3.47Å; V453-I462 VanDerWaalsContact CG1-CG2 3.47Å
454	Y	59.6	Low	51.3	Low	100 Å²	100	132.2 Å²	132.2	39%	0.392	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	108.9	-165.9	-64.8	-88.4	0	0	0	111.7	F463	Y454-F463 PolarHBondContact N-O 3.44Å; Y454-F463 PolarHBondContact O-N 3.45Å
455	R	58.8	Low	53.1	Low	153 Å²	153	125 Å²	125	58%	0.577	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.8	139.6	-179.1	-170.6	166.6	176.6	166.1	-4.1	112.2	S460 I462 L469	R455-S460 WeakPolarHBondContact CG-O 3.32Å; R455-S460 PolarHBondContact NE-O 2.86Å; R455-S460 PolarHBondContact NE-OG 2.92Å; R455-S460 PolarHBondContact NH2-OG 3.21Å; R455-I462 HydrophobicContact CB-CG1 4.07Å; R455-I462 HydrophobicContact CG-CG1 3.9Å; R455-L469 WeakPolarHBondContact O-CD2 3.21Å
456	C	68.7	Low	54.4	Low	1 Å²	1	118.4 Å²	118.4	1%	0.007	57%	0.573	C	S	.	*			trans	-80.1	118.9	172.3	-177	0	0	0	0	111.3	L458 C459 S460 K461 F463 L469 H472	C456-L458 PolarHBondContact O-N 2.77Å; C456-C459 PolarHBondContact O-N 3.39Å; C456-S460 WeakPolarHBondContact O-CA 3.3Å; C456-S460 PolarHBondContact O-N 3.17Å; C456-K461 WeakPolarHBondContact CB-O 3.23Å; C456-K461 PolarHBondContact N-O 2.73Å; C456-F463 HydrophobicContact CB-CE2 4.15Å; C456-L469 VanDerWaalsContact CA-CD1 3.42Å; C456-L469 HydrophobicContact CB-CD1 3.44Å; C456-L469 VanDerWaalsContact CB-CD1 3.44Å; C456-H472 PolarHBondContact SG-CD2 3.13Å; C456-H472 PolarHBondContact SG-NE2 3.23Å; C456-H472 VanDerWaalsContact SG-NE2 3.44Å
457	S	56.1	Low	56.1	Low	115 Å²	115	112 Å²	112	80%	0.804	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-34.7	176.9	-34.7	0	0	0	0	112.7
458	L	60.1	Low	57.8	Low	109 Å²	109	110.8 Å²	110.8	57%	0.571	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.8	-172.4	-58.7	177.9	0	0	0	115.1	C456 H476	C456-L458 PolarHBondContact O-N 2.77Å; L458-H476 HydrophobicContact CD1-CB 3.81Å
459	C	65.5	Low	59.5	Low	49 Å²	49	101.2 Å²	101.2	33%	0.331	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	17.3	173.9	79.9	0	0	0	0	115.3	C456 K461 H472	C456-C459 PolarHBondContact O-N 3.39Å; C459-K461 PolarHBondContact O-N 2.79Å; C459-H472 PolarHBondContact SG-NE2 3.46Å
460	S	58.2	Low	60.5	Low	61 Å²	61	98.9 Å²	98.9	43%	0.427	49%	0.494	S	S	.	.			trans	58.3	1.4	179.2	-83	0	0	0	0	118.2	R455 C456	R455-S460 WeakPolarHBondContact CG-O 3.32Å; R455-S460 PolarHBondContact NE-O 2.86Å; R455-S460 PolarHBondContact NE-OG 2.92Å; R455-S460 PolarHBondContact NH2-OG 3.21Å; C456-S460 WeakPolarHBondContact O-CA 3.3Å; C456-S460 PolarHBondContact O-N 3.17Å
461	K	65	Low	62	Low	133 Å²	133	98.1 Å²	98.1	58%	0.578	48%	0.483	S	S	*	.			trans	-67.8	133	178.2	-69.4	178.7	-175.6	174.8	0	111.8	C456 C459 F463	C456-K461 WeakPolarHBondContact CB-O 3.23Å; C456-K461 PolarHBondContact N-O 2.73Å; C459-K461 PolarHBondContact O-N 2.79Å; K461-F463 HydrophobicContact CB-CE2 3.8Å; K461-F463 HydrophobicContact CB-CZ 4Å; K461-F463 WeakPolarHBondContact O-CD2 3.37Å; K461-F463 WeakPolarHBondContact O-CE2 3.43Å
462	I	64.8	Low	63.2	Low	102 Å²	102	91.2 Å²	91.2	52%	0.523	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.9	-177.4	-54.5	178.7	0	0	0	109.8	V453 R455	V453-I462 HydrophobicContact CB-CG2 3.59Å; V453-I462 HydrophobicContact CG1-CG2 3.47Å; V453-I462 VanDerWaalsContact CG1-CG2 3.47Å; R455-I462 HydrophobicContact CB-CG1 4.07Å; R455-I462 HydrophobicContact CG-CG1 3.9Å
463	F	69.1	Low	63.9	Low	51 Å²	51	83.8 Å²	83.8	22%	0.224	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139	-177.1	-61.9	-86.6	0	0	0	111.2	Y454 C456 K461 N465 N468 L469 H472	Y454-F463 PolarHBondContact N-O 3.44Å; Y454-F463 PolarHBondContact O-N 3.45Å; C456-F463 HydrophobicContact CB-CE2 4.15Å; K461-F463 HydrophobicContact CB-CE2 3.8Å; K461-F463 HydrophobicContact CB-CZ 4Å; K461-F463 WeakPolarHBondContact O-CD2 3.37Å; K461-F463 WeakPolarHBondContact O-CE2 3.43Å; F463-N465 PolarHBondContact O-N 2.87Å; F463-N468 HydrophobicContact CB-CB 4.31Å; F463-N468 HydrophobicContact CD1-CB 4.15Å; F463-N468 HydrophobicContact CG-CB 4.48Å; F463-L469 HydrophobicContact CB-CB 4.43Å; F463-L469 HydrophobicContact CD2-CB 4.15Å; F463-L469 HydrophobicContact CD2-CD1 4.07Å; F463-L469 HydrophobicContact CE2-CD1 4.28Å; F463-H472 HydrophobicContact CE2-CB 4.31Å; F463-H472 AromaticContact CE2-CD2 3.67Å; F463-H472 HydrophobicContact CZ-CB 3.99Å; F463-H472 AromaticContact CZ-CD2 3.77Å; F463-H472 AromaticContact CZ-CG 3.86Å
464	Q	65.8	Low	64.1	Low	132 Å²	132	90.1 Å²	90.1	62%	0.617	45%	0.445	S	S	*	.	S	Bend	trans	-64	-21.3	-179.2	-152.3	84.3	52.8	0	0	114.2
465	N	65.1	Low	64.1	Low	96 Å²	96	88.3 Å²	88.3	51%	0.513	45%	0.447	S	S	.	.	S	Bend	trans	-140	139.2	-175.3	-99.7	-5.8	0	0	0	111.4	F463 S467 N468 L469	F463-N465 PolarHBondContact O-N 2.87Å; N465-S467 VanDerWaalsContact C-N 3.29Å; N465-S467 PolarHBondContact O-N 3.48Å; N465-N468 WeakPolarHBondContact O-CB 3.41Å; N465-N468 PolarHBondContact O-N 3.31Å; N465-N468 VanDerWaalsContact O-N 3.08Å; N465-L469 PolarHBondContact O-N 3.17Å
466	S	61.5	Low	64	Low	47 Å²	47	84.9 Å²	84.9	33%	0.329	44%	0.437	S	S	.	.	H	α-helix	trans	-56.1	-36.6	177.3	55.2	0	0	0	0	113.4	N468 L469 N470	S466-N468 VanDerWaalsContact C-N 3.29Å; S466-N468 PolarHBondContact O-N 3.47Å; S466-L469 WeakPolarHBondContact O-CB 3.09Å; S466-L469 PolarHBondContact O-N 2.92Å; S466-L469 VanDerWaalsContact O-N 3.15Å; S466-N470 PolarHBondContact O-N 3.47Å
467	S	66.6	Low	62.8	Low	83 Å²	83	87.7 Å²	87.7	58%	0.58	47%	0.467	S	S	*	.	H	α-helix	trans	-63.4	-32.2	177.5	-38.9	0	0	0	0	113.3	N465 R471	N465-S467 VanDerWaalsContact C-N 3.29Å; N465-S467 PolarHBondContact O-N 3.48Å; S467-R471 WeakPolarHBondContact O-CB 3.42Å; S467-R471 PolarHBondContact O-N 3.08Å; S467-R471 VanDerWaalsContact O-N 3.13Å
468	N	65.6	Low	62.3	Low	63 Å²	63	88.4 Å²	88.4	34%	0.337	46%	0.461	S	S	.	.	H	α-helix	trans	-73.5	-39	174.2	-79.7	-28.9	0	0	0	111.3	F463 N465 S466 R471 H472	F463-N468 HydrophobicContact CB-CB 4.31Å; F463-N468 HydrophobicContact CD1-CB 4.15Å; F463-N468 HydrophobicContact CG-CB 4.48Å; N465-N468 WeakPolarHBondContact O-CB 3.41Å; N465-N468 PolarHBondContact O-N 3.31Å; N465-N468 VanDerWaalsContact O-N 3.08Å; S466-N468 VanDerWaalsContact C-N 3.29Å; S466-N468 PolarHBondContact O-N 3.47Å; N468-R471 PolarHBondContact O-N 3.27Å; N468-R471 PolarHBondContact OD1-NH2 2.94Å; N468-H472 PolarHBondContact O-N 2.85Å; N468-H472 VanDerWaalsContact O-N 3.12Å
469	L	69.8	Low	61.9	Low	19 Å²	19	90 Å²	90	10%	0.099	46%	0.464	C	S	.	.	H	α-helix	trans	-61.7	-50.1	172.7	172.3	57.5	0	0	0	111.3	R455 C456 F463 N465 S466 R471 H472 I473	R455-L469 WeakPolarHBondContact O-CD2 3.21Å; C456-L469 VanDerWaalsContact CA-CD1 3.42Å; C456-L469 HydrophobicContact CB-CD1 3.44Å; C456-L469 VanDerWaalsContact CB-CD1 3.44Å; F463-L469 HydrophobicContact CB-CB 4.43Å; F463-L469 HydrophobicContact CD2-CB 4.15Å; F463-L469 HydrophobicContact CD2-CD1 4.07Å; F463-L469 HydrophobicContact CE2-CD1 4.28Å; N465-L469 PolarHBondContact O-N 3.17Å; S466-L469 WeakPolarHBondContact O-CB 3.09Å; S466-L469 PolarHBondContact O-N 2.92Å; S466-L469 VanDerWaalsContact O-N 3.15Å; L469-R471 VanDerWaalsContact C-N 3.3Å; L469-R471 PolarHBondContact O-N 3.34Å; L469-H472 CarbonylContact O-C 3.56Å; L469-H472 WeakPolarHBondContact O-CA 3.22Å; L469-H472 WeakPolarHBondContact O-CB 3.46Å; L469-H472 PolarHBondContact O-N 3.11Å; L469-I473 HydrophobicContact CD1-CD1 3.79Å; L469-I473 HydrophobicContact CD1-CG1 3.85Å; L469-I473 HydrophobicContact CD2-CD1 4.44Å; L469-I473 HydrophobicContact CG-CD1 3.8Å; L469-I473 HydrophobicContact CG-CG1 4.31Å; L469-I473 WeakPolarHBondContact O-CG1 3.15Å; L469-I473 PolarHBondContact O-N 3.17Å
470	N	60.2	Low	61.7	Low	86 Å²	86	94.8 Å²	94.8	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-36.1	179.3	-80.5	-13.4	0	0	0	112.8	S466 H472 R474	S466-N470 PolarHBondContact O-N 3.47Å; N470-H472 VanDerWaalsContact C-N 3.28Å; N470-H472 PolarHBondContact O-N 3.11Å; N470-R474 VanDerWaalsContact O-CG 3.29Å; N470-R474 WeakPolarHBondContact O-CG 3.1Å; N470-R474 PolarHBondContact O-N 3.08Å
471	R	69.3	Low	61.7	Low	178 Å²	178	95.3 Å²	95.3	67%	0.672	48%	0.48	S	S	*	.	H	α-helix	trans	-65.1	-31.2	171.5	177	164.9	56.6	170.8	-4.2	112.7	S467 N468 L469	S467-R471 WeakPolarHBondContact O-CB 3.42Å; S467-R471 PolarHBondContact O-N 3.08Å; S467-R471 VanDerWaalsContact O-N 3.13Å; N468-R471 PolarHBondContact O-N 3.27Å; N468-R471 PolarHBondContact OD1-NH2 2.94Å; L469-R471 VanDerWaalsContact C-N 3.3Å; L469-R471 PolarHBondContact O-N 3.34Å
472	H	69.7	Low	61.4	Low	35 Å²	35	94.9 Å²	94.9	16%	0.162	48%	0.478	C	S	.	.	H	α-helix	trans	-81.5	-37.2	176	171.8	52.4	0	0	0	113	C456 C459 F463 N468 L469 N470 R474 S475 H476	C456-H472 PolarHBondContact SG-CD2 3.13Å; C456-H472 PolarHBondContact SG-NE2 3.23Å; C456-H472 VanDerWaalsContact SG-NE2 3.44Å; C459-H472 PolarHBondContact SG-NE2 3.46Å; F463-H472 HydrophobicContact CE2-CB 4.31Å; F463-H472 AromaticContact CE2-CD2 3.67Å; F463-H472 HydrophobicContact CZ-CB 3.99Å; F463-H472 AromaticContact CZ-CD2 3.77Å; F463-H472 AromaticContact CZ-CG 3.86Å; N468-H472 PolarHBondContact O-N 2.85Å; N468-H472 VanDerWaalsContact O-N 3.12Å; L469-H472 CarbonylContact O-C 3.56Å; L469-H472 WeakPolarHBondContact O-CA 3.22Å; L469-H472 WeakPolarHBondContact O-CB 3.46Å; L469-H472 PolarHBondContact O-N 3.11Å; N470-H472 VanDerWaalsContact C-N 3.28Å; N470-H472 PolarHBondContact O-N 3.11Å; H472-R474 VanDerWaalsContact C-N 3.26Å; H472-R474 PolarHBondContact O-N 3.05Å; H472-S475 PolarHBondContact ND1-OG 2.87Å; H472-S475 WeakPolarHBondContact O-CB 3.24Å; H472-S475 PolarHBondContact O-N 2.79Å; H472-S475 PolarHBondContact O-OG 2.79Å; H472-H476 AromaticContact CE1-CE1 3.84Å; H472-H476 AromaticContact CE1-NE2 3.14Å; H472-H476 PolarHBondContact CE1-NE2 3.1Å; H472-H476 AromaticContact NE2-NE2 3.17Å; H472-H476 PolarHBondContact NE2-NE2 3.42Å; H472-H476 VanDerWaalsContact NE2-NE2 3.17Å
473	I	64.1	Low	61.7	Low	65 Å²	65	90.2 Å²	90.2	33%	0.333	46%	0.455	S	S	.	.	H	α-helix	trans	-58.8	-41.6	174.1	-67.8	169.4	0	0	0	110.2	L469 S475 H476	L469-I473 HydrophobicContact CD1-CD1 3.79Å; L469-I473 HydrophobicContact CD1-CG1 3.85Å; L469-I473 HydrophobicContact CD2-CD1 4.44Å; L469-I473 HydrophobicContact CG-CD1 3.8Å; L469-I473 HydrophobicContact CG-CG1 4.31Å; L469-I473 WeakPolarHBondContact O-CG1 3.15Å; L469-I473 PolarHBondContact O-N 3.17Å; I473-S475 PolarHBondContact O-N 2.94Å; I473-H476 PolarHBondContact O-N 2.9Å
474	R	63.2	Low	61.3	Low	214 Å²	214	93.7 Å²	93.7	81%	0.808	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	1.6	172	-67.7	173.8	-169.9	-142	1.6	115.4	N470 H472	N470-R474 VanDerWaalsContact O-CG 3.29Å; N470-R474 WeakPolarHBondContact O-CG 3.1Å; N470-R474 PolarHBondContact O-N 3.08Å; H472-R474 VanDerWaalsContact C-N 3.26Å; H472-R474 PolarHBondContact O-N 3.05Å
475	S	58.4	Low	61.1	Low	62 Å²	62	93.2 Å²	93.2	43%	0.434	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-0.5	171.9	67.2	0	0	0	0	114.7	H472 I473	H472-S475 PolarHBondContact ND1-OG 2.87Å; H472-S475 WeakPolarHBondContact O-CB 3.24Å; H472-S475 PolarHBondContact O-N 2.79Å; H472-S475 PolarHBondContact O-OG 2.79Å; I473-S475 PolarHBondContact O-N 2.94Å
476	H	58.3	Low	61.2	Low	81 Å²	81	90.5 Å²	90.5	38%	0.375	46%	0.462	S	S	.	.	S	Bend	trans	-103.9	-1.3	177.5	-62	-76.6	0	0	0	114.6	L458 H472 I473	L458-H476 HydrophobicContact CD1-CB 3.81Å; H472-H476 AromaticContact CE1-CE1 3.84Å; H472-H476 AromaticContact CE1-NE2 3.14Å; H472-H476 PolarHBondContact CE1-NE2 3.1Å; H472-H476 AromaticContact NE2-NE2 3.17Å; H472-H476 PolarHBondContact NE2-NE2 3.42Å; H472-H476 VanDerWaalsContact NE2-NE2 3.17Å; I473-H476 PolarHBondContact O-N 2.9Å
477	G	43.3	Very low	60.9	Low	61 Å²	61	96 Å²	96	63%	0.629	49%	0.487	S	S	*	.	S	Bend	trans	-81.6	155	176.2	0	0	0	0	0	113.8
478	D	45.7	Very low	60.6	Low	129 Å²	129	98.4 Å²	98.4	69%	0.69	49%	0.487	S	S	*	.			trans	-83.6	174.3	-151.5	-102.8	-68.5	0	0	0	119.5
479	K	51.4	Low	60.6	Low	143 Å²	143	101.2 Å²	101.2	62%	0.622	50%	0.502	S	S	*	.			trans	-81.2	144.3	-170.1	-36.5	114.4	-176.1	163.3	0	112.7
480	L	61.1	Low	60.5	Low	149 Å²	149	102.6 Å²	102.6	78%	0.78	51%	0.507	S	S	*	.			trans	-162.9	29.6	169.6	-119.1	171.9	0	0	0	118
481	F	57.3	Low	60.5	Low	72 Å²	72	101.9 Å²	101.9	32%	0.316	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	94.9	176.1	-60.6	-77	0	0	0	113	F490 K493 L496	F481-F490 HydrophobicContact CB-CB 4.42Å; F481-F490 WeakPolarHBondContact CB-O 3.35Å; F481-F490 PolarHBondContact N-O 3.19Å; F481-F490 PolarHBondContact O-N 2.96Å; F481-K493 HydrophobicContact CD1-CB 4.05Å; F481-K493 HydrophobicContact CD1-CG 4.14Å; F481-K493 HydrophobicContact CE1-CB 3.78Å; F481-K493 HydrophobicContact CE1-CD 3.94Å; F481-K493 HydrophobicContact CE1-CG 3.97Å; F481-K493 HydrophobicContact CE2-CB 4.29Å; F481-K493 HydrophobicContact CG-CB 4.43Å; F481-K493 HydrophobicContact CZ-CB 3.9Å; F481-L496 HydrophobicContact CB-CB 4.45Å; F481-L496 HydrophobicContact CB-CD2 4.1Å
482	K	60.3	Low	60.1	Low	124 Å²	124	100.3 Å²	100.3	54%	0.539	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	154.8	169.6	60.7	168.6	176.5	129.4	0	111.7	D484 L489 L496	K482-D484 VanDerWaalsContact CE-OD1 3.26Å; K482-D484 WeakPolarHBondContact CE-OD1 3.46Å; K482-D484 IonicContact NZ-OD1 3.94Å; K482-D484 PolarHBondContact NZ-OD1 3.11Å; K482-L489 HydrophobicContact CB-CD2 3.81Å; K482-L496 WeakPolarHBondContact O-CD2 3.38Å
483	C	69.4	Low	59.4	Low	5 Å²	5	105.3 Å²	105.3	3%	0.034	52%	0.524	C	S	.	.			trans	-86.9	139.2	159.3	-170	0	0	0	0	108.9	E485 C486 K488 F490 L496	C483-E485 VanDerWaalsContact C-N 3.28Å; C483-C486 CarbonylContact C-O 3.55Å; C483-C486 WeakPolarHBondContact CB-O 3.48Å; C483-K488 PolarHBondContact N-O 3.48Å; C483-K488 VanDerWaalsContact N-O 3.09Å; C483-F490 HydrophobicContact CB-CE2 4.37Å; C483-L496 HydrophobicContact CB-CD1 3.57Å
484	D	60.8	Low	59.7	Low	124 Å²	124	108.4 Å²	108.4	66%	0.663	54%	0.537	S	S	*	.	S	Bend	trans	-87.4	-1.6	179.1	-59.1	-64.3	0	0	0	112.5	K482	K482-D484 VanDerWaalsContact CE-OD1 3.26Å; K482-D484 WeakPolarHBondContact CE-OD1 3.46Å; K482-D484 IonicContact NZ-OD1 3.94Å; K482-D484 PolarHBondContact NZ-OD1 3.11Å
485	E	63.2	Low	59.9	Low	122 Å²	122	100.5 Å²	100.5	57%	0.57	51%	0.514	S	S	*	.	S	Bend	trans	-110.7	-2.9	173.2	-63.6	-177.3	-113.6	0	0	113.7	C483 H504	C483-E485 VanDerWaalsContact C-N 3.28Å; E485-H504 WeakPolarHBondContact CB-CE1 3.4Å; E485-H504 VanDerWaalsContact CB-ND1 3.34Å; E485-H504 WeakPolarHBondContact CB-ND1 3.26Å; E485-H504 WeakPolarHBondContact OE1-CB 3.31Å; E485-H504 IonicContact OE1-CG 3.4Å; E485-H504 IonicContact OE1-ND1 2.69Å; E485-H504 WeakPolarHBondContact OE2-CB 3.21Å; E485-H504 IonicContact OE2-CE1 3.56Å; E485-H504 IonicContact OE2-CG 2.71Å; E485-H504 IonicContact OE2-ND1 3.71Å; E485-H504 PolarHBondContact OE2-ND1 3.25Å
486	C	66.4	Low	60.6	Low	39 Å²	39	98.5 Å²	98.5	26%	0.264	50%	0.499	S	S	.	.	S	Bend	trans	-166.4	155.8	164.2	69	0	0	0	0	111.8	C483 K488 H499	C483-C486 CarbonylContact C-O 3.55Å; C483-C486 WeakPolarHBondContact CB-O 3.48Å; C486-K488 PolarHBondContact O-N 3.19Å; C486-H499 PolarHBondContact SG-NE2 2.95Å
487	D	56.1	Low	61.1	Low	162 Å²	162	101.3 Å²	101.3	87%	0.866	51%	0.51	S	S	*	.	S	Bend	trans	-68.7	23.3	-170.2	-50.1	-69.1	0	0	0	116.7
488	K	58.9	Low	62.3	Low	133 Å²	133	104.1 Å²	104.1	58%	0.578	51%	0.506	S	S	*	.			trans	-88.5	116.1	-176.1	-59.5	-162.6	-177.3	-152.9	0	111.1	C483 C486 F490	C483-K488 PolarHBondContact N-O 3.48Å; C483-K488 VanDerWaalsContact N-O 3.09Å; C486-K488 PolarHBondContact O-N 3.19Å; K488-F490 HydrophobicContact CB-CE2 3.74Å; K488-F490 HydrophobicContact CB-CZ 3.95Å; K488-F490 VanDerWaalsContact O-CD2 3.24Å; K488-F490 WeakPolarHBondContact O-CD2 3.4Å; K488-F490 WeakPolarHBondContact O-CE2 3.41Å
489	L	66.5	Low	63.7	Low	122 Å²	122	99.5 Å²	99.5	64%	0.639	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.2	174.3	-71.6	162.1	0	0	0	111.1	K482	K482-L489 HydrophobicContact CB-CD2 3.81Å
490	F	66.7	Low	64.6	Low	49 Å²	49	95.6 Å²	95.6	22%	0.215	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.7	176.5	-60	-89.6	0	0	0	110.3	F481 C483 K488 L496 H499	F481-F490 HydrophobicContact CB-CB 4.42Å; F481-F490 WeakPolarHBondContact CB-O 3.35Å; F481-F490 PolarHBondContact N-O 3.19Å; F481-F490 PolarHBondContact O-N 2.96Å; C483-F490 HydrophobicContact CB-CE2 4.37Å; K488-F490 HydrophobicContact CB-CE2 3.74Å; K488-F490 HydrophobicContact CB-CZ 3.95Å; K488-F490 VanDerWaalsContact O-CD2 3.24Å; K488-F490 WeakPolarHBondContact O-CD2 3.4Å; K488-F490 WeakPolarHBondContact O-CE2 3.41Å; F490-L496 HydrophobicContact CB-CB 4.46Å; F490-L496 HydrophobicContact CD2-CB 4.27Å; F490-L496 HydrophobicContact CD2-CD1 3.95Å; F490-L496 HydrophobicContact CE2-CD1 4.16Å; F490-L496 HydrophobicContact CG-CB 4.48Å; F490-H499 HydrophobicContact CE1-CB 4.14Å; F490-H499 HydrophobicContact CE2-CB 4.21Å; F490-H499 AromaticContact CE2-CD2 3.31Å; F490-H499 WeakPolarHBondContact CE2-CD2 3.32Å; F490-H499 AromaticContact CE2-CG 3.89Å; F490-H499 HydrophobicContact CZ-CB 3.72Å; F490-H499 AromaticContact CZ-CD2 3.33Å; F490-H499 WeakPolarHBondContact CZ-CD2 3.41Å; F490-H499 AromaticContact CZ-CG 3.46Å; F490-H499 VanDerWaalsContact CZ-CG 3.46Å; F490-H499 AromaticContact CZ-NE2 3.98Å
491	S	59.8	Low	64.9	Low	70 Å²	70	91.7 Å²	91.7	49%	0.49	45%	0.451	S	S	.	.	S	Bend	trans	-85.1	-6.2	176.6	54.6	0	0	0	0	113.9
492	R	61.9	Low	65	Low	145 Å²	145	97.9 Å²	97.9	55%	0.547	47%	0.474	S	S	.	.			trans	-145.4	133.3	-177	-59.3	-177.4	-172.2	160.6	6.3	112.4	E494 S495 L496	R492-E494 PolarHBondContact O-N 2.53Å; R492-S495 WeakPolarHBondContact O-CB 3.33Å; R492-S495 PolarHBondContact O-N 3.23Å; R492-L496 PolarHBondContact O-N 3.39Å; R492-L496 VanDerWaalsContact O-N 3.14Å
493	K	55.9	Low	64.7	Low	141 Å²	141	99.3 Å²	99.3	61%	0.613	48%	0.48	S	S	*	.	H	α-helix	trans	-57	-32.8	178	-157.7	167.8	-172	169	0	113.5	F481 L496 K497	F481-K493 HydrophobicContact CD1-CB 4.05Å; F481-K493 HydrophobicContact CD1-CG 4.14Å; F481-K493 HydrophobicContact CE1-CB 3.78Å; F481-K493 HydrophobicContact CE1-CD 3.94Å; F481-K493 HydrophobicContact CE1-CG 3.97Å; F481-K493 HydrophobicContact CE2-CB 4.29Å; F481-K493 HydrophobicContact CG-CB 4.43Å; F481-K493 HydrophobicContact CZ-CB 3.9Å; K493-L496 PolarHBondContact O-N 3.15Å; K493-K497 PolarHBondContact O-N 3.42Å
494	E	69.1	Low	64.2	Low	130 Å²	130	101.7 Å²	101.7	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-66.1	-40.5	174.9	-160.4	62.5	-130.5	0	0	112.2	R492 K497 Q498	R492-E494 PolarHBondContact O-N 2.53Å; E494-K497 PolarHBondContact O-N 3.03Å; E494-Q498 PolarHBondContact O-N 2.64Å
495	S	67.8	Low	64.3	Low	47 Å²	47	100.1 Å²	100.1	33%	0.329	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-34.5	178.1	-56.7	0	0	0	0	111.9	R492 H499	R492-S495 WeakPolarHBondContact O-CB 3.33Å; R492-S495 PolarHBondContact O-N 3.23Å; S495-H499 WeakPolarHBondContact O-CB 3.38Å; S495-H499 PolarHBondContact O-N 2.75Å
496	L	73.3	Confident	63.7	Low	20 Å²	20	103 Å²	103	11%	0.105	50%	0.5	C	S	.	.	H	α-helix	trans	-64.5	-47.7	169.5	173.7	61.5	0	0	0	111.6	F481 K482 C483 F490 R492 K493 Q498 H499 I500	F481-L496 HydrophobicContact CB-CB 4.45Å; F481-L496 HydrophobicContact CB-CD2 4.1Å; K482-L496 WeakPolarHBondContact O-CD2 3.38Å; C483-L496 HydrophobicContact CB-CD1 3.57Å; F490-L496 HydrophobicContact CB-CB 4.46Å; F490-L496 HydrophobicContact CD2-CB 4.27Å; F490-L496 HydrophobicContact CD2-CD1 3.95Å; F490-L496 HydrophobicContact CE2-CD1 4.16Å; F490-L496 HydrophobicContact CG-CB 4.48Å; R492-L496 PolarHBondContact O-N 3.39Å; R492-L496 VanDerWaalsContact O-N 3.14Å; K493-L496 PolarHBondContact O-N 3.15Å; L496-Q498 VanDerWaalsContact C-N 3.31Å; L496-Q498 PolarHBondContact O-N 3.25Å; L496-H499 WeakPolarHBondContact O-CB 3.44Å; L496-H499 PolarHBondContact O-N 2.8Å; L496-H499 VanDerWaalsContact O-N 3.12Å; L496-I500 HydrophobicContact CD1-CD1 3.86Å; L496-I500 HydrophobicContact CD1-CG1 4.08Å; L496-I500 HydrophobicContact CG-CD1 3.97Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 2.93Å
497	K	68.4	Low	62.7	Low	140 Å²	140	108.5 Å²	108.5	61%	0.609	53%	0.527	S	S	*	.	H	α-helix	trans	-56.2	-45.1	174.3	-91.7	-169.3	170.1	-173	0	112	K493 E494 S501	K493-K497 PolarHBondContact O-N 3.42Å; E494-K497 PolarHBondContact O-N 3.03Å; K497-S501 WeakPolarHBondContact O-CB 3.46Å; K497-S501 PolarHBondContact O-N 2.98Å; K497-S501 PolarHBondContact O-OG 3.08Å
498	Q	69.2	Low	61.7	Low	120 Å²	120	109.3 Å²	109.3	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-58.4	-50.2	173.7	-79	-171.6	-14.5	0	0	111.2	E494 L496 I500 S501 Y502	E494-Q498 PolarHBondContact O-N 2.64Å; L496-Q498 VanDerWaalsContact C-N 3.31Å; L496-Q498 PolarHBondContact O-N 3.25Å; Q498-I500 PolarHBondContact O-N 3.42Å; Q498-S501 WeakPolarHBondContact CA-OG 3.46Å; Q498-S501 CarbonylContact O-C 3.55Å; Q498-S501 PolarHBondContact O-N 3.4Å; Q498-S501 PolarHBondContact O-OG 3.47Å; Q498-Y502 WeakPolarHBondContact O-CB 3.33Å; Q498-Y502 PolarHBondContact O-N 3.21Å
499	H	75.6	Confident	61.1	Low	32 Å²	32	108.7 Å²	108.7	15%	0.148	54%	0.537	C	S	.	.	H	α-helix	trans	-54.8	-50.9	179.1	169.1	46.2	0	0	0	113	C486 F490 S495 L496 S501 Y502 K503 H504	C486-H499 PolarHBondContact SG-NE2 2.95Å; F490-H499 HydrophobicContact CE1-CB 4.14Å; F490-H499 HydrophobicContact CE2-CB 4.21Å; F490-H499 AromaticContact CE2-CD2 3.31Å; F490-H499 WeakPolarHBondContact CE2-CD2 3.32Å; F490-H499 AromaticContact CE2-CG 3.89Å; F490-H499 HydrophobicContact CZ-CB 3.72Å; F490-H499 AromaticContact CZ-CD2 3.33Å; F490-H499 WeakPolarHBondContact CZ-CD2 3.41Å; F490-H499 AromaticContact CZ-CG 3.46Å; F490-H499 VanDerWaalsContact CZ-CG 3.46Å; F490-H499 AromaticContact CZ-NE2 3.98Å; S495-H499 WeakPolarHBondContact O-CB 3.38Å; S495-H499 PolarHBondContact O-N 2.75Å; L496-H499 WeakPolarHBondContact O-CB 3.44Å; L496-H499 PolarHBondContact O-N 2.8Å; L496-H499 VanDerWaalsContact O-N 3.12Å; H499-S501 PolarHBondContact O-N 3.3Å; H499-Y502 PolarHBondContact O-N 3.45Å; H499-K503 WeakPolarHBondContact O-CB 3.47Å; H499-K503 PolarHBondContact O-N 2.98Å; H499-H504 AromaticContact CE1-NE2 3.68Å; H499-H504 AromaticContact NE2-NE2 3.78Å
500	I	69.4	Low	60.4	Low	61 Å²	61	107.9 Å²	107.9	31%	0.313	53%	0.533	S	S	.	.	H	α-helix	trans	-57.6	-50.2	176	-63.9	167.6	0	0	0	109.8	L496 Q498 Y502 K503 H504 S505	L496-I500 HydrophobicContact CD1-CD1 3.86Å; L496-I500 HydrophobicContact CD1-CG1 4.08Å; L496-I500 HydrophobicContact CG-CD1 3.97Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 2.93Å; Q498-I500 PolarHBondContact O-N 3.42Å; I500-Y502 PolarHBondContact O-N 2.71Å; I500-Y502 VanDerWaalsContact O-N 3.12Å; I500-K503 PolarHBondContact O-N 3.14Å; I500-H504 HydrophobicContact CG2-CB 4.25Å; I500-H504 WeakPolarHBondContact O-CB 3.45Å; I500-H504 PolarHBondContact O-N 3.39Å; I500-S505 PolarHBondContact O-N 2.96Å
501	S	67.3	Low	59.6	Low	67 Å²	67	114 Å²	114	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-67.3	-9.9	179.9	75.1	0	0	0	0	116	K497 Q498 H499 S505	K497-S501 WeakPolarHBondContact O-CB 3.46Å; K497-S501 PolarHBondContact O-N 2.98Å; K497-S501 PolarHBondContact O-OG 3.08Å; Q498-S501 WeakPolarHBondContact CA-OG 3.46Å; Q498-S501 CarbonylContact O-C 3.55Å; Q498-S501 PolarHBondContact O-N 3.4Å; Q498-S501 PolarHBondContact O-OG 3.47Å; H499-S501 PolarHBondContact O-N 3.3Å; S501-S505 PolarHBondContact O-OG 2.95Å
502	Y	58.7	Low	59.3	Low	202 Å²	202	116.5 Å²	116.5	79%	0.792	57%	0.571	S	S	*	*	H	α-helix	trans	-112.8	-12.9	-178.7	-126.4	-82.4	0	0	0	113.7	Q498 H499 I500	Q498-Y502 WeakPolarHBondContact O-CB 3.33Å; Q498-Y502 PolarHBondContact O-N 3.21Å; H499-Y502 PolarHBondContact O-N 3.45Å; I500-Y502 PolarHBondContact O-N 2.71Å; I500-Y502 VanDerWaalsContact O-N 3.12Å
503	K	54.8	Low	58.9	Low	154 Å²	154	114.8 Å²	114.8	67%	0.67	57%	0.565	S	S	*	*	H	α-helix	trans	-126	-35.7	-176.7	-73	-63	-169.8	174.1	0	114	H499 I500	H499-K503 WeakPolarHBondContact O-CB 3.47Å; H499-K503 PolarHBondContact O-N 2.98Å; I500-K503 PolarHBondContact O-N 3.14Å
504	H	58.8	Low	59.1	Low	56 Å²	56	115.4 Å²	115.4	26%	0.259	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-105.5	-22.9	-169.5	-63.6	-91.6	0	0	0	112.9	E485 H499 I500 K506	E485-H504 WeakPolarHBondContact CB-CE1 3.4Å; E485-H504 VanDerWaalsContact CB-ND1 3.34Å; E485-H504 WeakPolarHBondContact CB-ND1 3.26Å; E485-H504 WeakPolarHBondContact OE1-CB 3.31Å; E485-H504 IonicContact OE1-CG 3.4Å; E485-H504 IonicContact OE1-ND1 2.69Å; E485-H504 WeakPolarHBondContact OE2-CB 3.21Å; E485-H504 IonicContact OE2-CE1 3.56Å; E485-H504 IonicContact OE2-CG 2.71Å; E485-H504 IonicContact OE2-ND1 3.71Å; E485-H504 PolarHBondContact OE2-ND1 3.25Å; H499-H504 AromaticContact CE1-NE2 3.68Å; H499-H504 AromaticContact NE2-NE2 3.78Å; I500-H504 HydrophobicContact CG2-CB 4.25Å; I500-H504 WeakPolarHBondContact O-CB 3.45Å; I500-H504 PolarHBondContact O-N 3.39Å; H504-K506 PolarHBondContact O-N 3.25Å
505	S	62.2	Low	58.5	Low	90 Å²	90	113.3 Å²	113.3	63%	0.629	56%	0.555	S	S	*	*			trans	-73.5	38.3	178.2	76	0	0	0	0	115	I500 S501	I500-S505 PolarHBondContact O-N 2.96Å; S501-S505 PolarHBondContact O-OG 2.95Å
506	K	50.3	Low	58.1	Low	184 Å²	184	117.1 Å²	117.1	80%	0.8	57%	0.565	S	S	*	*			trans	-128.7	41.5	-169.7	-155.7	-147.7	172.2	-161.2	0	113.9	H504	H504-K506 PolarHBondContact O-N 3.25Å
507	N	45.3	Very low	57.7	Low	154 Å²	154	116.5 Å²	116.5	82%	0.824	56%	0.563	S	S	*	*			trans	-144.6	80.5	166.9	-97.4	-15.8	0	0	0	111.8
508	M	35.7	Very low	56.8	Low	178 Å²	178	117.4 Å²	117.4	88%	0.877	57%	0.574	S	S	*	*	S	Bend	trans	-151.6	147.6	147.7	-83.5	-52.5	156.1	0	0	108.1
509	P	47.1	Very low	56.1	Low	121 Å²	121	116.4 Å²	116.4	79%	0.786	58%	0.577	S	S	*	*			trans	-75.5	172.5	-173.1	30.5	-35.4	0	0	0	114.2
510	D	52.1	Low	55.3	Low	104 Å²	104	117.4 Å²	117.4	56%	0.556	59%	0.586	S	S	*	*			trans	-70.4	124.2	-167.3	-104	-69.7	0	0	0	115.3	R525	D510-R525 IonicContact OD1-CZ 3.38Å; D510-R525 IonicContact OD1-NE 3.4Å; D510-R525 IonicContact OD1-NH2 3.88Å; D510-R525 PolarHBondContact OD1-NH2 3.36Å; D510-R525 IonicContact OD2-NH2 2.64Å; D510-R525 PolarHBondContact OD2-NH2 3.37Å
511	Q	49	Very low	54.6	Low	177 Å²	177	122.4 Å²	122.4	83%	0.827	61%	0.608	S	S	*	*			trans	-154	151.8	144	-107.4	149.5	40.7	0	0	111.5
512	D	54.6	Low	54.2	Low	124 Å²	124	125.5 Å²	125.5	66%	0.663	61%	0.613	S	S	*	*			trans	49.7	93.1	172.8	-73.1	4.1	0	0	0	120.4	K514	D512-K514 PolarHBondContact O-N 3.14Å
513	Y	52.3	Low	54.5	Low	108 Å²	108	118.2 Å²	118.2	42%	0.424	59%	0.592	S	S	.	*			trans	-70.2	76.9	155.5	-72.9	-106.5	0	0	0	111.1	Y515 R525	Y513-Y515 VanDerWaalsContact C-N 3.31Å; Y513-Y515 PolarHBondContact O-N 2.93Å; Y513-R525 HydrophobicContact CD1-CG 3.65Å; Y513-R525 HydrophobicContact CE1-CG 3.73Å; Y513-R525 HydrophobicContact CG-CG 4.1Å; Y513-R525 PolarHBondContact OH-NH2 3.37Å
514	K	60.3	Low	54.9	Low	154 Å²	154	113 Å²	113	67%	0.67	57%	0.569	S	S	*	*			trans	-68.3	-16.7	-166.3	-155.1	160.7	-170.7	159.9	0	116.1	D512	D512-K514 PolarHBondContact O-N 3.14Å
515	Y	57.4	Low	54.9	Low	86 Å²	86	116.9 Å²	116.9	34%	0.337	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.2	100.5	-172.8	-56.5	-79	0	0	0	112.4	Y513 F524 E527	Y513-Y515 VanDerWaalsContact C-N 3.31Å; Y513-Y515 PolarHBondContact O-N 2.93Å; Y515-F524 PolarHBondContact N-O 3.01Å; Y515-F524 WeakPolarHBondContact O-CA 3.16Å; Y515-F524 WeakPolarHBondContact O-CB 3.47Å; Y515-F524 PolarHBondContact O-N 3.26Å; Y515-E527 HydrophobicContact CD1-CB 3.78Å; Y515-E527 HydrophobicContact CD1-CG 3.75Å; Y515-E527 HydrophobicContact CD2-CB 4.27Å; Y515-E527 HydrophobicContact CE1-CB 3.67Å; Y515-E527 HydrophobicContact CE1-CG 3.75Å; Y515-E527 HydrophobicContact CE2-CB 4.18Å; Y515-E527 HydrophobicContact CG-CB 4.08Å; Y515-E527 HydrophobicContact CG-CG 4.43Å
516	K	57.9	Low	55	Low	127 Å²	127	118.3 Å²	118.3	55%	0.552	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.8	142.3	179.6	-54.3	-168	177	176.6	0	111.5	N518 S523	K516-N518 PolarHBondContact O-N 2.85Å; K516-N518 PolarHBondContact O-OD1 3.16Å; K516-S523 WeakPolarHBondContact CD-OG 3.38Å; K516-S523 WeakPolarHBondContact CE-OG 3.05Å; K516-S523 WeakPolarHBondContact CG-OG 3.35Å
517	C	65.8	Low	55.1	Low	8 Å²	8	113.7 Å²	113.7	5%	0.054	56%	0.563	C	S	.	*			trans	-78.1	111.3	172.1	177.3	0	0	0	0	110.5	T519 C520 E521 K522 F524 L530	C517-T519 PolarHBondContact O-N 2.92Å; C517-C520 PolarHBondContact O-N 3.1Å; C517-E521 VanDerWaalsContact O-CA 3.27Å; C517-E521 WeakPolarHBondContact O-CA 3.25Å; C517-E521 PolarHBondContact O-N 3.01Å; C517-K522 PolarHBondContact N-O 2.62Å; C517-F524 HydrophobicContact CB-CE2 4Å; C517-L530 HydrophobicContact CB-CD1 3.66Å
518	N	49.4	Very low	55.7	Low	159 Å²	159	111.3 Å²	111.3	85%	0.85	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	14.7	179.2	-61.6	-7.5	0	0	0	115.1	K516	K516-N518 PolarHBondContact O-N 2.85Å; K516-N518 PolarHBondContact O-OD1 3.16Å
519	T	53.1	Low	56.7	Low	99 Å²	99	104.9 Å²	104.9	61%	0.607	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	-18.5	-176.5	-48.3	0	0	0	0	113.3	C517 C535	C517-T519 PolarHBondContact O-N 2.92Å; T519-C535 VanDerWaalsContact CB-SG 3.56Å
520	C	59.3	Low	57.7	Low	52 Å²	52	101.3 Å²	101.3	35%	0.351	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	10.8	168.3	73.9	0	0	0	0	114.7	C517 K522 H533	C517-C520 PolarHBondContact O-N 3.1Å; C520-K522 PolarHBondContact O-N 3Å; C520-H533 PolarHBondContact SG-NE2 3.01Å
521	E	55.2	Low	58.1	Low	167 Å²	167	102.5 Å²	102.5	78%	0.78	50%	0.499	S	S	*	.			trans	59.9	-0.4	174	-61.4	176.6	171.8	0	0	116.3	C517 S523	C517-E521 VanDerWaalsContact O-CA 3.27Å; C517-E521 WeakPolarHBondContact O-CA 3.25Å; C517-E521 PolarHBondContact O-N 3.01Å; E521-S523 PolarHBondContact O-N 3.43Å; E521-S523 PolarHBondContact O-OG 2.93Å
522	K	59.7	Low	58.2	Low	132 Å²	132	102.7 Å²	102.7	57%	0.574	50%	0.498	S	S	*	.			trans	-56.3	128.4	171.3	-68.8	-168.2	176.2	-163.4	0	110.3	C517 C520 F524	C517-K522 PolarHBondContact N-O 2.62Å; C520-K522 PolarHBondContact O-N 3Å; K522-F524 HydrophobicContact CB-CE2 3.72Å; K522-F524 HydrophobicContact CB-CZ 3.88Å; K522-F524 VanDerWaalsContact O-CD2 3.29Å; K522-F524 WeakPolarHBondContact O-CD2 3.43Å; K522-F524 VanDerWaalsContact O-CE2 3.24Å; K522-F524 WeakPolarHBondContact O-CE2 3.44Å
523	S	64.6	Low	58.5	Low	48 Å²	48	99.3 Å²	99.3	34%	0.336	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.5	-175.8	-58.5	0	0	0	0	109.4	K516 E521	K516-S523 WeakPolarHBondContact CD-OG 3.38Å; K516-S523 WeakPolarHBondContact CE-OG 3.05Å; K516-S523 WeakPolarHBondContact CG-OG 3.35Å; E521-S523 PolarHBondContact O-N 3.43Å; E521-S523 PolarHBondContact O-OG 2.93Å
524	F	62.7	Low	58.8	Low	45 Å²	45	99.8 Å²	99.8	20%	0.197	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.4	-176.6	-60.6	-89.7	0	0	0	109.5	Y515 C517 K522 L526 A529 L530 H533	Y515-F524 PolarHBondContact N-O 3.01Å; Y515-F524 WeakPolarHBondContact O-CA 3.16Å; Y515-F524 WeakPolarHBondContact O-CB 3.47Å; Y515-F524 PolarHBondContact O-N 3.26Å; C517-F524 HydrophobicContact CB-CE2 4Å; K522-F524 HydrophobicContact CB-CE2 3.72Å; K522-F524 HydrophobicContact CB-CZ 3.88Å; K522-F524 VanDerWaalsContact O-CD2 3.29Å; K522-F524 WeakPolarHBondContact O-CD2 3.43Å; K522-F524 VanDerWaalsContact O-CE2 3.24Å; K522-F524 WeakPolarHBondContact O-CE2 3.44Å; F524-L526 VanDerWaalsContact C-N 3.28Å; F524-L526 PolarHBondContact O-N 2.75Å; F524-A529 HydrophobicContact CB-CB 4.46Å; F524-A529 HydrophobicContact CD1-CB 4.17Å; F524-L530 HydrophobicContact CD2-CB 4.36Å; F524-L530 HydrophobicContact CD2-CD1 4.26Å; F524-L530 HydrophobicContact CE2-CD1 4.43Å; F524-H533 HydrophobicContact CE1-CB 4.26Å; F524-H533 HydrophobicContact CE2-CB 4.18Å; F524-H533 AromaticContact CE2-CD2 3.84Å; F524-H533 AromaticContact CE2-CG 3.83Å; F524-H533 HydrophobicContact CZ-CB 3.81Å; F524-H533 AromaticContact CZ-CD2 3.77Å; F524-H533 AromaticContact CZ-CE1 3.99Å; F524-H533 AromaticContact CZ-CG 3.38Å; F524-H533 AromaticContact CZ-ND1 3.54Å
525	R	58.6	Low	58	Low	137 Å²	137	93.7 Å²	93.7	52%	0.517	46%	0.464	S	S	.	.	S	Bend	trans	-75.5	-14.1	176.1	-68.4	-177.6	174.1	152.7	-6.4	113.3	D510 Y513	D510-R525 IonicContact OD1-CZ 3.38Å; D510-R525 IonicContact OD1-NE 3.4Å; D510-R525 IonicContact OD1-NH2 3.88Å; D510-R525 PolarHBondContact OD1-NH2 3.36Å; D510-R525 IonicContact OD2-NH2 2.64Å; D510-R525 PolarHBondContact OD2-NH2 3.37Å; Y513-R525 HydrophobicContact CD1-CG 3.65Å; Y513-R525 HydrophobicContact CE1-CG 3.73Å; Y513-R525 HydrophobicContact CG-CG 4.1Å; Y513-R525 PolarHBondContact OH-NH2 3.37Å
526	L	63.9	Low	57.7	Low	121 Å²	121	99.9 Å²	99.9	63%	0.634	49%	0.487	S	S	*	.			trans	-133.6	133	-176	-65.8	172	0	0	0	112	F524 N528 A529 L530	F524-L526 VanDerWaalsContact C-N 3.28Å; F524-L526 PolarHBondContact O-N 2.75Å; L526-N528 VanDerWaalsContact C-N 3.29Å; L526-N528 PolarHBondContact O-N 3.11Å; L526-A529 HydrophobicContact CB-CB 4.18Å; L526-A529 WeakPolarHBondContact O-CB 3.39Å; L526-A529 PolarHBondContact O-N 3.11Å; L526-A529 VanDerWaalsContact O-N 3.08Å; L526-L530 PolarHBondContact O-N 2.71Å
527	E	52.3	Low	56.6	Low	87 Å²	87	98.1 Å²	98.1	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-36.1	178.6	-159.9	-160.3	157.4	0	0	112.4	Y515 A529 L530 K531	Y515-E527 HydrophobicContact CD1-CB 3.78Å; Y515-E527 HydrophobicContact CD1-CG 3.75Å; Y515-E527 HydrophobicContact CD2-CB 4.27Å; Y515-E527 HydrophobicContact CE1-CB 3.67Å; Y515-E527 HydrophobicContact CE1-CG 3.75Å; Y515-E527 HydrophobicContact CE2-CB 4.18Å; Y515-E527 HydrophobicContact CG-CB 4.08Å; Y515-E527 HydrophobicContact CG-CG 4.43Å; E527-A529 VanDerWaalsContact C-N 3.31Å; E527-A529 PolarHBondContact O-N 2.96Å; E527-L530 CarbonylContact O-C 3.55Å; E527-L530 WeakPolarHBondContact O-CA 3.44Å; E527-L530 WeakPolarHBondContact O-CB 3.28Å; E527-L530 PolarHBondContact O-N 3.03Å; E527-L530 VanDerWaalsContact O-N 3.13Å; E527-K531 WeakPolarHBondContact O-CG 3.2Å; E527-K531 PolarHBondContact O-N 3.08Å; E527-K531 WeakPolarHBondContact OE1-CE 3.48Å; E527-K531 IonicContact OE1-NZ 2.62Å; E527-K531 PolarHBondContact OE1-NZ 3.43Å; E527-K531 IonicContact OE2-NZ 3.13Å; E527-K531 PolarHBondContact OE2-NZ 2.99Å
528	N	58.1	Low	55.7	Low	104 Å²	104	104.6 Å²	104.6	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-67.4	-31.6	176.7	-72.8	-9.4	0	0	0	112.2	L526 L530 K531 F532	L526-N528 VanDerWaalsContact C-N 3.29Å; L526-N528 PolarHBondContact O-N 3.11Å; N528-L530 VanDerWaalsContact C-N 3.32Å; N528-K531 PolarHBondContact O-N 3.01Å; N528-F532 VanDerWaalsContact O-CD2 3.28Å; N528-F532 WeakPolarHBondContact O-CD2 3.38Å; N528-F532 PolarHBondContact O-N 2.63Å
529	A	58.3	Low	55.2	Low	43 Å²	43	103.5 Å²	103.5	36%	0.355	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-34.3	172.1	0	0	0	0	0	111.4	F524 L526 E527 H533	F524-A529 HydrophobicContact CB-CB 4.46Å; F524-A529 HydrophobicContact CD1-CB 4.17Å; L526-A529 HydrophobicContact CB-CB 4.18Å; L526-A529 WeakPolarHBondContact O-CB 3.39Å; L526-A529 PolarHBondContact O-N 3.11Å; L526-A529 VanDerWaalsContact O-N 3.08Å; E527-A529 VanDerWaalsContact C-N 3.31Å; E527-A529 PolarHBondContact O-N 2.96Å; A529-H533 VanDerWaalsContact O-CB 3.27Å; A529-H533 WeakPolarHBondContact O-CB 3.2Å; A529-H533 PolarHBondContact O-N 3.13Å
530	L	67.9	Low	55.4	Low	46 Å²	46	108.4 Å²	108.4	24%	0.241	53%	0.528	C	S	.	.	H	α-helix	trans	-67.4	-39.6	170.2	174.1	60.2	0	0	0	112.1	C517 F524 L526 E527 N528 F532 H533	C517-L530 HydrophobicContact CB-CD1 3.66Å; F524-L530 HydrophobicContact CD2-CB 4.36Å; F524-L530 HydrophobicContact CD2-CD1 4.26Å; F524-L530 HydrophobicContact CE2-CD1 4.43Å; L526-L530 PolarHBondContact O-N 2.71Å; E527-L530 CarbonylContact O-C 3.55Å; E527-L530 WeakPolarHBondContact O-CA 3.44Å; E527-L530 WeakPolarHBondContact O-CB 3.28Å; E527-L530 PolarHBondContact O-N 3.03Å; E527-L530 VanDerWaalsContact O-N 3.13Å; N528-L530 VanDerWaalsContact C-N 3.32Å; L530-F532 PolarHBondContact O-N 3.07Å; L530-H533 WeakPolarHBondContact O-CB 3.41Å; L530-H533 PolarHBondContact O-N 2.82Å; L530-H533 VanDerWaalsContact O-N 3.14Å
531	K	59	Low	55.2	Low	128 Å²	128	108.5 Å²	108.5	56%	0.557	53%	0.527	S	S	*	.	H	α-helix	trans	-65.1	-34.7	176.3	-72.1	168.2	-177	157.4	0	113.3	E527 N528	E527-K531 WeakPolarHBondContact O-CG 3.2Å; E527-K531 PolarHBondContact O-N 3.08Å; E527-K531 WeakPolarHBondContact OE1-CE 3.48Å; E527-K531 IonicContact OE1-NZ 2.62Å; E527-K531 PolarHBondContact OE1-NZ 3.43Å; E527-K531 IonicContact OE2-NZ 3.13Å; E527-K531 PolarHBondContact OE2-NZ 2.99Å; N528-K531 PolarHBondContact O-N 3.01Å
532	F	51	Low	55.4	Low	181 Å²	181	104.7 Å²	104.7	79%	0.794	51%	0.508	S	S	*	.	H	α-helix	trans	-86.9	-7.2	172.3	-72.7	-67	0	0	0	113.9	N528 L530 N534	N528-F532 VanDerWaalsContact O-CD2 3.28Å; N528-F532 WeakPolarHBondContact O-CD2 3.38Å; N528-F532 PolarHBondContact O-N 2.63Å; L530-F532 PolarHBondContact O-N 3.07Å; F532-N534 PolarHBondContact O-N 3.45Å
533	H	62.2	Low	55.7	Low	54 Å²	54	102.3 Å²	102.3	25%	0.25	50%	0.499	C	S	.	.			trans	-76	87.6	174.2	179.3	62.4	0	0	0	110.5	C520 F524 A529 L530 C535	C520-H533 PolarHBondContact SG-NE2 3.01Å; F524-H533 HydrophobicContact CE1-CB 4.26Å; F524-H533 HydrophobicContact CE2-CB 4.18Å; F524-H533 AromaticContact CE2-CD2 3.84Å; F524-H533 AromaticContact CE2-CG 3.83Å; F524-H533 HydrophobicContact CZ-CB 3.81Å; F524-H533 AromaticContact CZ-CD2 3.77Å; F524-H533 AromaticContact CZ-CE1 3.99Å; F524-H533 AromaticContact CZ-CG 3.38Å; F524-H533 AromaticContact CZ-ND1 3.54Å; A529-H533 VanDerWaalsContact O-CB 3.27Å; A529-H533 WeakPolarHBondContact O-CB 3.2Å; A529-H533 PolarHBondContact O-N 3.13Å; L530-H533 WeakPolarHBondContact O-CB 3.41Å; L530-H533 PolarHBondContact O-N 2.82Å; L530-H533 VanDerWaalsContact O-N 3.14Å; H533-C535 PolarHBondContact O-N 2.87Å
534	N	57.2	Low	56.1	Low	118 Å²	118	100 Å²	100	63%	0.631	48%	0.483	S	S	*	.			trans	-68.5	81.4	173.7	-170.7	-10.1	0	0	0	110.8	F532 R536	F532-N534 PolarHBondContact O-N 3.45Å; N534-R536 PolarHBondContact O-N 3.33Å; N534-R536 VanDerWaalsContact O-N 3.1Å
535	C	44.9	Very low	56	Low	25 Å²	25	103.4 Å²	103.4	17%	0.169	50%	0.503	C	S	.	.			trans	-72.2	98.5	171.5	-175.2	0	0	0	0	109.5	T519 H533 T537	T519-C535 VanDerWaalsContact CB-SG 3.56Å; H533-C535 PolarHBondContact O-N 2.87Å; C535-T537 PolarHBondContact O-N 2.99Å
536	R	49.8	Very low	56.2	Low	216 Å²	216	101.7 Å²	101.7	82%	0.815	50%	0.504	S	S	*	.			trans	-17	96.6	-178	-79.4	178.6	139.8	160.9	-6.1	116	N534	N534-R536 PolarHBondContact O-N 3.33Å; N534-R536 VanDerWaalsContact O-N 3.1Å
537	T	35.6	Very low	56.1	Low	90 Å²	90	98.2 Å²	98.2	55%	0.552	49%	0.488	S	S	*	.			trans	-126.3	122.9	156.8	46.7	0	0	0	0	110	C535 D539	C535-T537 PolarHBondContact O-N 2.99Å; T537-D539 PolarHBondContact O-N 3.31Å
538	D	47.4	Very low	56.3	Low	144 Å²	144	97.2 Å²	97.2	77%	0.77	49%	0.491	S	S	*	.	S	Bend	trans	56.6	12.6	146	-58.4	7.8	0	0	0	121.6
539	D	39.5	Very low	56.4	Low	137 Å²	137	100.5 Å²	100.5	73%	0.733	50%	0.496	S	S	*	.			trans	-84.8	135.5	166.7	-98.4	-40.1	0	0	0	113.7	T537 T541	T537-D539 PolarHBondContact O-N 3.31Å; D539-T541 PolarHBondContact O-N 3.45Å
540	K	55.4	Low	56.9	Low	202 Å²	202	103.8 Å²	103.8	88%	0.878	50%	0.503	S	S	*	.			trans	-67.2	99.2	-174.3	-65.8	177.8	-176.8	176.3	0	111.1
541	T	56.3	Low	56.8	Low	53 Å²	53	103.8 Å²	103.8	33%	0.325	50%	0.5	S	S	.	.			trans	-83.7	141.7	180	38.6	0	0	0	0	111.7	D539 Q543 F551	D539-T541 PolarHBondContact O-N 3.45Å; T541-Q543 PolarHBondContact O-N 3.17Å; T541-Q543 VanDerWaalsContact O-N 3.08Å; T541-F551 CarbonylContact C-O 3.57Å; T541-F551 WeakPolarHBondContact CA-O 3.15Å; T541-F551 VanDerWaalsContact CB-O 3.26Å; T541-F551 WeakPolarHBondContact CB-O 3.17Å
542	F	60	Low	56.7	Low	88 Å²	88	102 Å²	102	39%	0.386	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	106.6	-173.2	-70.7	-91.2	0	0	0	110.2	F551 T553 N554 L557	F542-F551 PolarHBondContact N-O 2.9Å; F542-F551 PolarHBondContact O-N 2.83Å; F542-T553 VanDerWaalsContact CD2-C 3.47Å; F542-N554 HydrophobicContact CD1-CB 3.76Å; F542-N554 HydrophobicContact CD2-CB 4.28Å; F542-N554 VanDerWaalsContact CD2-N 3.28Å; F542-N554 HydrophobicContact CE1-CB 3.58Å; F542-N554 HydrophobicContact CE2-CB 4.11Å; F542-N554 HydrophobicContact CG-CB 4.12Å; F542-N554 HydrophobicContact CZ-CB 3.77Å; F542-L557 HydrophobicContact CB-CB 3.84Å; F542-L557 HydrophobicContact CB-CD2 3.79Å; F542-L557 HydrophobicContact CB-CG 4.41Å
543	Q	64.7	Low	57.3	Low	81 Å²	81	96.1 Å²	96.1	38%	0.379	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	140	-180	-172.8	173.1	-21.5	0	0	110.7	T541 S548 R549 F550 L557	T541-Q543 PolarHBondContact O-N 3.17Å; T541-Q543 VanDerWaalsContact O-N 3.08Å; Q543-S548 PolarHBondContact NE2-OG 3.05Å; Q543-S548 VanDerWaalsContact NE2-OG 3.08Å; Q543-R549 CarbonylContact C-O 3.58Å; Q543-R549 WeakPolarHBondContact CA-O 3.45Å; Q543-F550 HydrophobicContact CB-CD1 3.94Å; Q543-F550 HydrophobicContact CB-CE1 3.75Å; Q543-F550 HydrophobicContact CB-CZ 4.42Å; Q543-F550 HydrophobicContact CG-CD1 4.29Å; Q543-F550 HydrophobicContact CG-CE1 3.87Å; Q543-F550 HydrophobicContact CG-CZ 4.02Å; Q543-F550 VanDerWaalsContact OE1-CE1 3.28Å; Q543-F550 VanDerWaalsContact OE1-CZ 3.32Å; Q543-L557 WeakPolarHBondContact O-CD2 3.32Å
544	C	73.1	Confident	57.4	Low	0 Å²	0	97.4 Å²	97.4	0%	0	49%	0.492	C	S	.	.			trans	-88.6	108.9	170.8	-171.3	0	0	0	0	110.6	I546 C547 S548 R549 F551 L557 H560 H564	C544-I546 PolarHBondContact O-N 3.06Å; C544-C547 PolarHBondContact O-N 3.21Å; C544-S548 VanDerWaalsContact O-CA 3.31Å; C544-S548 WeakPolarHBondContact O-CA 3.35Å; C544-S548 PolarHBondContact O-N 2.66Å; C544-R549 PolarHBondContact N-O 3.37Å; C544-F551 HydrophobicContact CB-CE2 4.15Å; C544-L557 VanDerWaalsContact CA-CD1 3.45Å; C544-L557 HydrophobicContact CB-CD1 3.47Å; C544-L557 VanDerWaalsContact CB-CD1 3.47Å; C544-H560 VanDerWaalsContact SG-CD2 3.52Å; C544-H564 VanDerWaalsContact SG-CD2 3.56Å
545	D	61.6	Low	58	Low	117 Å²	117	95.7 Å²	95.7	63%	0.626	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.6	-177.2	-37.3	-51.3	0	0	0	113.8	K561	D545-K561 WeakPolarHBondContact OD2-CE 3.4Å; D545-K561 IonicContact OD2-NZ 3Å; D545-K561 PolarHBondContact OD2-NZ 3.38Å
546	I	62.3	Low	59.1	Low	101 Å²	101	97.9 Å²	97.9	52%	0.518	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-22.3	-177.2	-55.6	170.9	0	0	0	112.5	C544 H564	C544-I546 PolarHBondContact O-N 3.06Å; I546-H564 HydrophobicContact CD1-CB 3.7Å; I546-H564 HydrophobicContact CG2-CB 4.11Å
547	C	61.8	Low	60.3	Low	47 Å²	47	88.2 Å²	88.2	32%	0.318	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.8	6	-177.5	75.6	0	0	0	0	116.2	C544 R549 H560 H564	C544-C547 PolarHBondContact O-N 3.21Å; C547-R549 PolarHBondContact O-N 3.39Å; C547-R549 VanDerWaalsContact O-N 3.07Å; C547-H560 PolarHBondContact SG-NE2 3.31Å; C547-H564 WeakPolarHBondContact CB-NE2 3.17Å
548	S	55.9	Low	62.2	Low	67 Å²	67	86.9 Å²	86.9	47%	0.469	46%	0.458	S	S	.	.			trans	51.8	25	-178.5	-63.6	0	0	0	0	116.1	Q543 C544 F550	Q543-S548 PolarHBondContact NE2-OG 3.05Å; Q543-S548 VanDerWaalsContact NE2-OG 3.08Å; C544-S548 VanDerWaalsContact O-CA 3.31Å; C544-S548 WeakPolarHBondContact O-CA 3.35Å; C544-S548 PolarHBondContact O-N 2.66Å; S548-F550 WeakPolarHBondContact O-CD2 3.42Å; S548-F550 WeakPolarHBondContact O-CE2 3.43Å
549	R	59.9	Low	63.4	Low	173 Å²	173	87.5 Å²	87.5	65%	0.653	45%	0.454	S	S	*	.			trans	-78.3	138.6	166.9	-82.7	-176.1	148.4	153.4	-5.3	111.2	Q543 C544 C547 F551	Q543-R549 CarbonylContact C-O 3.58Å; Q543-R549 WeakPolarHBondContact CA-O 3.45Å; C544-R549 PolarHBondContact N-O 3.37Å; C547-R549 PolarHBondContact O-N 3.39Å; C547-R549 VanDerWaalsContact O-N 3.07Å; R549-F551 HydrophobicContact CB-CE2 3.66Å; R549-F551 HydrophobicContact CB-CZ 4.01Å; R549-F551 WeakPolarHBondContact O-CD2 3.14Å; R549-F551 WeakPolarHBondContact O-CE2 3.31Å
550	F	68.4	Low	65	Low	112 Å²	112	82.5 Å²	82.5	49%	0.491	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.9	-178	-66.1	-89	0	0	0	111.8	Q543 S548	Q543-F550 HydrophobicContact CB-CD1 3.94Å; Q543-F550 HydrophobicContact CB-CE1 3.75Å; Q543-F550 HydrophobicContact CB-CZ 4.42Å; Q543-F550 HydrophobicContact CG-CD1 4.29Å; Q543-F550 HydrophobicContact CG-CE1 3.87Å; Q543-F550 HydrophobicContact CG-CZ 4.02Å; Q543-F550 VanDerWaalsContact OE1-CE1 3.28Å; Q543-F550 VanDerWaalsContact OE1-CZ 3.32Å; S548-F550 WeakPolarHBondContact O-CD2 3.42Å; S548-F550 WeakPolarHBondContact O-CE2 3.43Å
551	F	67.4	Low	65.8	Low	45 Å²	45	76.8 Å²	76.8	20%	0.197	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.6	-177.4	-65.7	-89.5	0	0	0	111.9	T541 F542 C544 R549 T553 N556 L557 H560	T541-F551 CarbonylContact C-O 3.57Å; T541-F551 WeakPolarHBondContact CA-O 3.15Å; T541-F551 VanDerWaalsContact CB-O 3.26Å; T541-F551 WeakPolarHBondContact CB-O 3.17Å; F542-F551 PolarHBondContact N-O 2.9Å; F542-F551 PolarHBondContact O-N 2.83Å; C544-F551 HydrophobicContact CB-CE2 4.15Å; R549-F551 HydrophobicContact CB-CE2 3.66Å; R549-F551 HydrophobicContact CB-CZ 4.01Å; R549-F551 WeakPolarHBondContact O-CD2 3.14Å; R549-F551 WeakPolarHBondContact O-CE2 3.31Å; F551-T553 PolarHBondContact O-N 2.95Å; F551-N556 HydrophobicContact CB-CB 4.2Å; F551-N556 HydrophobicContact CD1-CB 4.11Å; F551-L557 HydrophobicContact CB-CB 4.17Å; F551-L557 HydrophobicContact CD2-CB 4.28Å; F551-L557 HydrophobicContact CD2-CD1 4.07Å; F551-L557 HydrophobicContact CE2-CD1 4.48Å; F551-L557 HydrophobicContact CG-CB 4.36Å; F551-H560 HydrophobicContact CE1-CB 3.89Å; F551-H560 HydrophobicContact CE2-CB 4.07Å; F551-H560 AromaticContact CE2-CD2 3.14Å; F551-H560 WeakPolarHBondContact CE2-CD2 3.46Å; F551-H560 AromaticContact CE2-CG 3.71Å; F551-H560 AromaticContact CE2-NE2 3.84Å; F551-H560 HydrophobicContact CZ-CB 3.61Å; F551-H560 AromaticContact CZ-CD2 3.17Å; F551-H560 WeakPolarHBondContact CZ-CD2 3.28Å; F551-H560 AromaticContact CZ-CG 3.27Å; F551-H560 AromaticContact CZ-ND1 3.95Å; F551-H560 AromaticContact CZ-NE2 3.78Å
552	S	57.3	Low	66.5	Low	90 Å²	90	82.8 Å²	82.8	63%	0.629	42%	0.423	S	S	*	.	S	Bend	trans	-66.6	-20.3	-178.1	48.2	0	0	0	0	114.5
553	T	63.2	Low	66.6	Low	59 Å²	59	86.4 Å²	86.4	36%	0.362	44%	0.438	S	S	.	.	S	Bend	trans	-145.8	152.6	179.9	63.5	0	0	0	0	110.8	F542 F551 S555 N556 L557	F542-T553 VanDerWaalsContact CD2-C 3.47Å; F551-T553 PolarHBondContact O-N 2.95Å; T553-S555 VanDerWaalsContact C-N 3.28Å; T553-S555 PolarHBondContact O-N 2.74Å; T553-N556 PolarHBondContact O-N 2.72Å; T553-N556 VanDerWaalsContact O-N 3.13Å; T553-N556 WeakPolarHBondContact OG1-CB 3.39Å; T553-N556 VanDerWaalsContact OG1-CG 3.26Å; T553-N556 PolarHBondContact OG1-N 2.73Å; T553-N556 PolarHBondContact OG1-ND2 3.36Å; T553-L557 PolarHBondContact O-N 3Å; T553-L557 VanDerWaalsContact O-N 3.12Å
554	N	64.4	Low	66.6	Low	81 Å²	81	84.2 Å²	84.2	43%	0.433	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-39.7	178.2	-161.7	12.7	0	0	0	111.5	F542 N556 L557 S558	F542-N554 HydrophobicContact CD1-CB 3.76Å; F542-N554 HydrophobicContact CD2-CB 4.28Å; F542-N554 VanDerWaalsContact CD2-N 3.28Å; F542-N554 HydrophobicContact CE1-CB 3.58Å; F542-N554 HydrophobicContact CE2-CB 4.11Å; F542-N554 HydrophobicContact CG-CB 4.12Å; F542-N554 HydrophobicContact CZ-CB 3.77Å; N554-N556 PolarHBondContact O-N 3.3Å; N554-L557 CarbonylContact O-C 3.58Å; N554-L557 WeakPolarHBondContact O-CA 3.49Å; N554-L557 WeakPolarHBondContact O-CB 3.44Å; N554-L557 PolarHBondContact O-N 2Å; N554-S558 PolarHBondContact O-N 3.09Å; N554-S558 PolarHBondContact O-OG 2.93Å
555	S	68.9	Low	65.3	Low	82 Å²	82	87.4 Å²	87.4	57%	0.573	46%	0.461	S	S	*	.	H	α-helix	trans	-59.7	-32.7	177.4	-39.5	0	0	0	0	113.2	T553 K559	T553-S555 VanDerWaalsContact C-N 3.28Å; T553-S555 PolarHBondContact O-N 2.74Å; S555-K559 WeakPolarHBondContact O-CG 3.33Å; S555-K559 PolarHBondContact O-N 3.31Å
556	N	67.9	Low	64.6	Low	70 Å²	70	89.4 Å²	89.4	37%	0.374	47%	0.467	S	S	.	.	H	α-helix	trans	-76.1	-37.8	174.4	-72.2	-15.9	0	0	0	111.6	F551 T553 N554 H560	F551-N556 HydrophobicContact CB-CB 4.2Å; F551-N556 HydrophobicContact CD1-CB 4.11Å; T553-N556 PolarHBondContact O-N 2.72Å; T553-N556 VanDerWaalsContact O-N 3.13Å; T553-N556 WeakPolarHBondContact OG1-CB 3.39Å; T553-N556 VanDerWaalsContact OG1-CG 3.26Å; T553-N556 PolarHBondContact OG1-N 2.73Å; T553-N556 PolarHBondContact OG1-ND2 3.36Å; N554-N556 PolarHBondContact O-N 3.3Å; N556-H560 WeakPolarHBondContact O-CB 3.48Å; N556-H560 PolarHBondContact O-N 3.27Å; N556-H560 VanDerWaalsContact O-N 3.11Å
557	L	76.3	Confident	64.1	Low	13 Å²	13	93.1 Å²	93.1	7%	0.068	48%	0.479	C	S	.	.	H	α-helix	trans	-60.1	-48.7	169	170.3	61.7	0	0	0	111.3	F542 Q543 C544 F551 T553 N554 K559 H560 K561	F542-L557 HydrophobicContact CB-CB 3.84Å; F542-L557 HydrophobicContact CB-CD2 3.79Å; F542-L557 HydrophobicContact CB-CG 4.41Å; Q543-L557 WeakPolarHBondContact O-CD2 3.32Å; C544-L557 VanDerWaalsContact CA-CD1 3.45Å; C544-L557 HydrophobicContact CB-CD1 3.47Å; C544-L557 VanDerWaalsContact CB-CD1 3.47Å; F551-L557 HydrophobicContact CB-CB 4.17Å; F551-L557 HydrophobicContact CD2-CB 4.28Å; F551-L557 HydrophobicContact CD2-CD1 4.07Å; F551-L557 HydrophobicContact CE2-CD1 4.48Å; F551-L557 HydrophobicContact CG-CB 4.36Å; T553-L557 PolarHBondContact O-N 3Å; T553-L557 VanDerWaalsContact O-N 3.12Å; N554-L557 CarbonylContact O-C 3.58Å; N554-L557 WeakPolarHBondContact O-CA 3.49Å; N554-L557 WeakPolarHBondContact O-CB 3.44Å; N554-L557 PolarHBondContact O-N 2Å; L557-K559 PolarHBondContact O-N 3.37Å; L557-H560 CarbonylContact O-C 3.42Å; L557-H560 WeakPolarHBondContact O-CA 3.16Å; L557-H560 WeakPolarHBondContact O-CB 3.47Å; L557-H560 PolarHBondContact O-N 3.01Å; L557-K561 HydrophobicContact CD1-CD 4.45Å; L557-K561 HydrophobicContact CD1-CG 4.02Å; L557-K561 HydrophobicContact CG-CG 4.47Å; L557-K561 PolarHBondContact O-N 3.15Å
558	S	73.6	Confident	64.3	Low	62 Å²	62	95.5 Å²	95.5	43%	0.434	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-42.9	-177.2	-52.4	0	0	0	0	112.1	N554 H560 K561 K562	N554-S558 PolarHBondContact O-N 3.09Å; N554-S558 PolarHBondContact O-OG 2.93Å; S558-H560 PolarHBondContact O-N 3.15Å; S558-K561 PolarHBondContact O-N 3.31Å; S558-K562 PolarHBondContact O-N 2.98Å
559	K	73.4	Confident	64.7	Low	157 Å²	157	96.7 Å²	96.7	68%	0.683	48%	0.483	S	S	*	.	H	α-helix	trans	-62.1	-32.1	172.5	-74.7	178.7	178.8	-176	0	112.5	S555 L557	S555-K559 WeakPolarHBondContact O-CG 3.33Å; S555-K559 PolarHBondContact O-N 3.31Å; L557-K559 PolarHBondContact O-N 3.37Å
560	H	74.4	Confident	64.5	Low	33 Å²	33	91.2 Å²	91.2	15%	0.153	47%	0.471	C	S	.	.	H	α-helix	trans	-78	-40.6	175	174.1	56.4	0	0	0	113.3	C544 C547 F551 N556 L557 S558 K562 K563 H564	C544-H560 VanDerWaalsContact SG-CD2 3.52Å; C547-H560 PolarHBondContact SG-NE2 3.31Å; F551-H560 HydrophobicContact CE1-CB 3.89Å; F551-H560 HydrophobicContact CE2-CB 4.07Å; F551-H560 AromaticContact CE2-CD2 3.14Å; F551-H560 WeakPolarHBondContact CE2-CD2 3.46Å; F551-H560 AromaticContact CE2-CG 3.71Å; F551-H560 AromaticContact CE2-NE2 3.84Å; F551-H560 HydrophobicContact CZ-CB 3.61Å; F551-H560 AromaticContact CZ-CD2 3.17Å; F551-H560 WeakPolarHBondContact CZ-CD2 3.28Å; F551-H560 AromaticContact CZ-CG 3.27Å; F551-H560 AromaticContact CZ-ND1 3.95Å; F551-H560 AromaticContact CZ-NE2 3.78Å; N556-H560 WeakPolarHBondContact O-CB 3.48Å; N556-H560 PolarHBondContact O-N 3.27Å; N556-H560 VanDerWaalsContact O-N 3.11Å; L557-H560 CarbonylContact O-C 3.42Å; L557-H560 WeakPolarHBondContact O-CA 3.16Å; L557-H560 WeakPolarHBondContact O-CB 3.47Å; L557-H560 PolarHBondContact O-N 3.01Å; S558-H560 PolarHBondContact O-N 3.15Å; H560-K562 VanDerWaalsContact C-N 3.27Å; H560-K562 PolarHBondContact O-N 2.88Å; H560-K563 WeakPolarHBondContact O-CA 3.33Å; H560-K563 WeakPolarHBondContact O-CB 3.4Å; H560-K563 PolarHBondContact O-N 3.06Å; H560-H564 AromaticContact NE2-CD2 3.98Å
561	K	70.9	Confident	64.7	Low	81 Å²	81	85.9 Å²	85.9	35%	0.352	45%	0.448	S	S	.	.	H	α-helix	trans	-57.4	-39.6	171.3	-87.5	-169.9	171.2	-173.2	0	111.5	D545 L557 S558 K563 H564	D545-K561 WeakPolarHBondContact OD2-CE 3.4Å; D545-K561 IonicContact OD2-NZ 3Å; D545-K561 PolarHBondContact OD2-NZ 3.38Å; L557-K561 HydrophobicContact CD1-CD 4.45Å; L557-K561 HydrophobicContact CD1-CG 4.02Å; L557-K561 HydrophobicContact CG-CG 4.47Å; L557-K561 PolarHBondContact O-N 3.15Å; S558-K561 PolarHBondContact O-N 3.31Å; K561-K563 PolarHBondContact O-N 3.48Å; K561-H564 WeakPolarHBondContact O-CB 3.38Å; K561-H564 PolarHBondContact O-N 3.13Å
562	K	72.3	Confident	64.8	Low	180 Å²	180	90.9 Å²	90.9	78%	0.783	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-64.9	-17.2	174.9	-152.8	169.3	-173.9	177.9	0	113.6	S558 H560	S558-K562 PolarHBondContact O-N 2.98Å; H560-K562 VanDerWaalsContact C-N 3.27Å; H560-K562 PolarHBondContact O-N 2.88Å
563	K	60.3	Low	65.4	Low	164 Å²	164	91.5 Å²	91.5	71%	0.713	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-88.6	8.2	169.6	-75.5	-160.1	171.5	-163.4	0	114.6	H560 K561 Y579	H560-K563 WeakPolarHBondContact O-CA 3.33Å; H560-K563 WeakPolarHBondContact O-CB 3.4Å; H560-K563 PolarHBondContact O-N 3.06Å; K561-K563 PolarHBondContact O-N 3.48Å; K563-Y579 PolarHBondContact O-OH 3.13Å
564	H	64.6	Low	66	Low	34 Å²	34	90.7 Å²	90.7	16%	0.157	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-100.1	1.3	169.9	-75.5	-59.1	0	0	0	114.1	C544 I546 C547 H560 K561 E566 Y579	C544-H564 VanDerWaalsContact SG-CD2 3.56Å; I546-H564 HydrophobicContact CD1-CB 3.7Å; I546-H564 HydrophobicContact CG2-CB 4.11Å; C547-H564 WeakPolarHBondContact CB-NE2 3.17Å; H560-H564 AromaticContact NE2-CD2 3.98Å; K561-H564 WeakPolarHBondContact O-CB 3.38Å; K561-H564 PolarHBondContact O-N 3.13Å; H564-E566 VanDerWaalsContact C-N 3.34Å; H564-E566 PolarHBondContact O-N 3.29Å; H564-Y579 VanDerWaalsContact C-OH 3.28Å; H564-Y579 VanDerWaalsContact CA-OH 3.29Å; H564-Y579 WeakPolarHBondContact CA-OH 3.41Å; H564-Y579 HydrophobicContact CB-CE2 4.37Å; H564-Y579 AromaticContact CE1-CD1 3.01Å; H564-Y579 WeakPolarHBondContact CE1-CD1 3.34Å; H564-Y579 AromaticContact CE1-CD2 3.05Å; H564-Y579 WeakPolarHBondContact CE1-CD2 3.19Å; H564-Y579 AromaticContact CE1-CE1 3.09Å; H564-Y579 WeakPolarHBondContact CE1-CE1 3.27Å; H564-Y579 AromaticContact CE1-CE2 3.15Å; H564-Y579 WeakPolarHBondContact CE1-CE2 3.41Å; H564-Y579 AromaticContact CE1-CG 3.02Å; H564-Y579 AromaticContact CE1-CZ 3.19Å; H564-Y579 AromaticContact ND1-CD1 3.88Å; H564-Y579 AromaticContact ND1-CE1 3.91Å; H564-Y579 AromaticContact ND1-CG 3.97Å; H564-Y579 VanDerWaalsContact O-CE2 3.26Å; H564-Y579 WeakPolarHBondContact O-CE2 3.46Å
565	G	47.1	Very low	65.6	Low	68 Å²	68	92.9 Å²	92.9	70%	0.701	48%	0.475	S	S	*	.	S	Bend	trans	-78.9	-4.8	-172.5	0	0	0	0	0	116.4
566	E	47.2	Very low	65.2	Low	159 Å²	159	94.7 Å²	94.7	74%	0.743	47%	0.472	S	S	*	.	S	Bend	trans	-128.8	100.9	-163.9	-72.4	171.9	-144.2	0	0	112.9	H564 Y579	H564-E566 VanDerWaalsContact C-N 3.34Å; H564-E566 PolarHBondContact O-N 3.29Å; E566-Y579 PolarHBondContact N-OH 3.41Å; E566-Y579 PolarHBondContact O-OH 2.9Å
567	K	52.2	Low	65	Low	179 Å²	179	97.3 Å²	97.3	78%	0.778	48%	0.484	S	S	*	.			trans	66.6	109.8	167	-58.2	-179	-178.7	178.8	0	116.6
568	L	64.6	Low	64.8	Low	96 Å²	96	98.7 Å²	98.7	50%	0.503	49%	0.49	S	S	.	.			trans	-98.1	143.1	170.9	-72.4	153.8	0	0	0	110.6	M577 Y579	L568-M577 HydrophobicContact CB-CE 3.85Å; L568-M577 HydrophobicContact CD1-CE 3.87Å; L568-M577 HydrophobicContact CG-CE 4.46Å; L568-Y579 HydrophobicContact CD2-CD2 3.79Å; L568-Y579 HydrophobicContact CG-CD2 4.36Å
569	Y	63.6	Low	63.9	Low	93 Å²	93	99.2 Å²	99.2	37%	0.365	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.5	176.5	-62.4	-92.7	0	0	0	110.3	M577 F578 K581	Y569-M577 CarbonylContact O-C 3.52Å; Y569-F578 PolarHBondContact N-O 3.38Å; Y569-F578 PolarHBondContact O-N 3.42Å; Y569-K581 HydrophobicContact CD1-CB 4Å; Y569-K581 HydrophobicContact CD1-CD 4.45Å; Y569-K581 HydrophobicContact CD1-CG 4Å; Y569-K581 HydrophobicContact CD2-CB 4.23Å; Y569-K581 HydrophobicContact CE1-CB 3.8Å; Y569-K581 HydrophobicContact CE1-CD 3.96Å; Y569-K581 HydrophobicContact CE1-CG 3.92Å; Y569-K581 HydrophobicContact CE2-CB 4.06Å; Y569-K581 HydrophobicContact CG-CB 4.21Å
570	S	57	Low	63.3	Low	58 Å²	58	98.9 Å²	98.9	41%	0.406	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.2	173.8	44.9	0	0	0	0	112	E572 K576	S570-E572 PolarHBondContact O-N 3.32Å; S570-K576 WeakPolarHBondContact CA-O 3.44Å
571	C	72.9	Confident	62.6	Low	0 Å²	0	102.7 Å²	102.7	0%	0	49%	0.493	C	S	.	.			trans	-77.6	110	167.1	169.1	0	0	0	0	110	I573 C574 N575 K576 F578 M584 H587 H588	C571-I573 PolarHBondContact O-N 3.09Å; C571-C574 PolarHBondContact O-N 3.27Å; C571-C574 VanDerWaalsContact O-N 3.15Å; C571-N575 VanDerWaalsContact O-CA 3.23Å; C571-N575 WeakPolarHBondContact O-CA 3.46Å; C571-N575 PolarHBondContact O-N 2.81Å; C571-K576 PolarHBondContact N-O 2.74Å; C571-F578 HydrophobicContact CB-CD2 4.35Å; C571-F578 HydrophobicContact CB-CE2 3.81Å; C571-M584 HydrophobicContact CB-CG 4.26Å; C571-M584 HydrophobicContact CB-SD 4.14Å; C571-H587 VanDerWaalsContact SG-CD2 3.54Å; C571-H588 PolarHBondContact SG-CD2 3.04Å
572	E	68.5	Low	62.2	Low	150 Å²	150	102.4 Å²	102.4	70%	0.701	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.6	-179.4	-66.7	138.8	-152.8	0	0	114.7	S570 H588	S570-E572 PolarHBondContact O-N 3.32Å; E572-H588 PolarHBondContact N-NE2 3.04Å; E572-H588 IonicContact OE2-CE1 2.72Å; E572-H588 IonicContact OE2-NE2 2.73Å
573	I	71.3	Confident	61.9	Low	103 Å²	103	97.1 Å²	97.1	53%	0.528	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-21.6	-177	-56.8	177	0	0	0	112.1	C571 H591	C571-I573 PolarHBondContact O-N 3.09Å; I573-H591 HydrophobicContact CD1-CB 3.72Å; I573-H591 HydrophobicContact CG2-CB 4.13Å
574	C	74.4	Confident	62.9	Low	42 Å²	42	90 Å²	90	28%	0.284	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	8.2	-175	73.9	0	0	0	0	115.1	C571 K576 H587	C571-C574 PolarHBondContact O-N 3.27Å; C571-C574 VanDerWaalsContact O-N 3.15Å; C574-K576 PolarHBondContact O-N 3.21Å; C574-K576 VanDerWaalsContact SG-CG 3.57Å; C574-H587 PolarHBondContact SG-NE2 3.04Å
575	N	56.3	Low	63.3	Low	127 Å²	127	93 Å²	93	68%	0.679	46%	0.462	S	S	*	.			trans	50.1	20.8	-178.4	-64.2	-28.2	0	0	0	116.3	C571	C571-N575 VanDerWaalsContact O-CA 3.23Å; C571-N575 WeakPolarHBondContact O-CA 3.46Å; C571-N575 PolarHBondContact O-N 2.81Å
576	K	60.8	Low	64.4	Low	119 Å²	119	92.9 Å²	92.9	52%	0.517	44%	0.443	S	S	.	.			trans	-74	131.1	172.2	-67	-178.4	-166.9	-53.1	0	110.3	S570 C571 C574 F578	S570-K576 WeakPolarHBondContact CA-O 3.44Å; C571-K576 PolarHBondContact N-O 2.74Å; C574-K576 PolarHBondContact O-N 3.21Å; C574-K576 VanDerWaalsContact SG-CG 3.57Å; K576-F578 HydrophobicContact CB-CE2 3.65Å; K576-F578 HydrophobicContact CB-CZ 3.98Å; K576-F578 WeakPolarHBondContact O-CD2 3.25Å; K576-F578 VanDerWaalsContact O-CE2 3.27Å; K576-F578 WeakPolarHBondContact O-CE2 3.34Å
577	M	63.5	Low	65.5	Low	126 Å²	126	87.5 Å²	87.5	62%	0.621	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.4	178.3	-56.9	179.6	89.5	0	0	111.3	L568 Y569	L568-M577 HydrophobicContact CB-CE 3.85Å; L568-M577 HydrophobicContact CD1-CE 3.87Å; L568-M577 HydrophobicContact CG-CE 4.46Å; Y569-M577 CarbonylContact O-C 3.52Å
578	F	72.1	Confident	66.2	Low	42 Å²	42	80.8 Å²	80.8	18%	0.184	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.1	-176.9	-64.3	-90.4	0	0	0	110.4	Y569 C571 K576 R580 V583 M584 H587	Y569-F578 PolarHBondContact N-O 3.38Å; Y569-F578 PolarHBondContact O-N 3.42Å; C571-F578 HydrophobicContact CB-CD2 4.35Å; C571-F578 HydrophobicContact CB-CE2 3.81Å; K576-F578 HydrophobicContact CB-CE2 3.65Å; K576-F578 HydrophobicContact CB-CZ 3.98Å; K576-F578 WeakPolarHBondContact O-CD2 3.25Å; K576-F578 VanDerWaalsContact O-CE2 3.27Å; K576-F578 WeakPolarHBondContact O-CE2 3.34Å; F578-R580 PolarHBondContact O-N 3.41Å; F578-R580 VanDerWaalsContact O-N 3.11Å; F578-V583 HydrophobicContact CD1-CG1 3.87Å; F578-V583 HydrophobicContact CE1-CG1 4.39Å; F578-M584 HydrophobicContact CB-CB 3.89Å; F578-M584 HydrophobicContact CB-CG 4.29Å; F578-M584 HydrophobicContact CD2-CB 3.96Å; F578-M584 HydrophobicContact CD2-CG 3.64Å; F578-M584 HydrophobicContact CE2-CG 4.36Å; F578-M584 HydrophobicContact CG-CB 4.07Å; F578-M584 HydrophobicContact CG-CG 4.25Å; F578-H587 HydrophobicContact CE1-CB 4.17Å; F578-H587 HydrophobicContact CE2-CB 4.19Å; F578-H587 AromaticContact CE2-CD2 3.7Å; F578-H587 HydrophobicContact CZ-CB 3.69Å; F578-H587 AromaticContact CZ-CD2 3.52Å; F578-H587 AromaticContact CZ-CG 3.46Å; F578-H587 VanDerWaalsContact CZ-CG 3.46Å
579	Y	55.4	Low	66.5	Low	73 Å²	73	82.7 Å²	82.7	29%	0.286	39%	0.389	S	S	.	.	S	Bend	trans	-74.8	3.9	-179.6	-156.6	-103.4	0	0	0	114.5	K563 H564 E566 L568	K563-Y579 PolarHBondContact O-OH 3.13Å; H564-Y579 VanDerWaalsContact C-OH 3.28Å; H564-Y579 VanDerWaalsContact CA-OH 3.29Å; H564-Y579 WeakPolarHBondContact CA-OH 3.41Å; H564-Y579 HydrophobicContact CB-CE2 4.37Å; H564-Y579 AromaticContact CE1-CD1 3.01Å; H564-Y579 WeakPolarHBondContact CE1-CD1 3.34Å; H564-Y579 AromaticContact CE1-CD2 3.05Å; H564-Y579 WeakPolarHBondContact CE1-CD2 3.19Å; H564-Y579 AromaticContact CE1-CE1 3.09Å; H564-Y579 WeakPolarHBondContact CE1-CE1 3.27Å; H564-Y579 AromaticContact CE1-CE2 3.15Å; H564-Y579 WeakPolarHBondContact CE1-CE2 3.41Å; H564-Y579 AromaticContact CE1-CG 3.02Å; H564-Y579 AromaticContact CE1-CZ 3.19Å; H564-Y579 AromaticContact ND1-CD1 3.88Å; H564-Y579 AromaticContact ND1-CE1 3.91Å; H564-Y579 AromaticContact ND1-CG 3.97Å; H564-Y579 VanDerWaalsContact O-CE2 3.26Å; H564-Y579 WeakPolarHBondContact O-CE2 3.46Å; E566-Y579 PolarHBondContact N-OH 3.41Å; E566-Y579 PolarHBondContact O-OH 2.9Å; L568-Y579 HydrophobicContact CD2-CD2 3.79Å; L568-Y579 HydrophobicContact CG-CD2 4.36Å
580	R	60.5	Low	66.4	Low	150 Å²	150	86.4 Å²	86.4	57%	0.566	40%	0.403	S	S	*	.			trans	-150.9	127.9	-173.1	-93.3	-175	68.1	136.8	-8	111.2	F578 D582 V583 M584	F578-R580 PolarHBondContact O-N 3.41Å; F578-R580 VanDerWaalsContact O-N 3.11Å; R580-D582 VanDerWaalsContact C-N 3.32Å; R580-D582 WeakPolarHBondContact CB-OD1 3.35Å; R580-D582 IonicContact CZ-OD1 2.72Å; R580-D582 IonicContact CZ-OD2 3.29Å; R580-D582 IonicContact NE-OD1 3.58Å; R580-D582 PolarHBondContact NE-OD1 2.78Å; R580-D582 IonicContact NE-OD2 2.67Å; R580-D582 PolarHBondContact NE-OD2 3.03Å; R580-D582 IonicContact NH2-OD1 2.77Å; R580-D582 PolarHBondContact NH2-OD1 3.22Å; R580-D582 IonicContact NH2-OD2 3.99Å; R580-D582 PolarHBondContact NH2-OD2 3.12Å; R580-D582 PolarHBondContact O-N 3.03Å; R580-V583 HydrophobicContact CB-CB 4.13Å; R580-V583 HydrophobicContact CB-CG2 3.76Å; R580-V583 PolarHBondContact O-N 3.26Å; R580-V583 VanDerWaalsContact O-N 3.16Å; R580-M584 PolarHBondContact O-N 2.83Å
581	K	60	Low	66.8	Low	112 Å²	112	87.2 Å²	87.2	49%	0.487	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-40.6	-178.3	-166.5	176.3	-179.7	177.1	0	112.4	Y569 V583 M584 Q585	Y569-K581 HydrophobicContact CD1-CB 4Å; Y569-K581 HydrophobicContact CD1-CD 4.45Å; Y569-K581 HydrophobicContact CD1-CG 4Å; Y569-K581 HydrophobicContact CD2-CB 4.23Å; Y569-K581 HydrophobicContact CE1-CB 3.8Å; Y569-K581 HydrophobicContact CE1-CD 3.96Å; Y569-K581 HydrophobicContact CE1-CG 3.92Å; Y569-K581 HydrophobicContact CE2-CB 4.06Å; Y569-K581 HydrophobicContact CG-CB 4.21Å; K581-V583 PolarHBondContact O-N 3.17Å; K581-M584 WeakPolarHBondContact O-CB 3.45Å; K581-M584 PolarHBondContact O-N 3.08Å; K581-Q585 HydrophobicContact CG-CG 4.4Å; K581-Q585 WeakPolarHBondContact O-CB 3.31Å; K581-Q585 VanDerWaalsContact O-CG 3.25Å; K581-Q585 WeakPolarHBondContact O-CG 3.31Å; K581-Q585 PolarHBondContact O-N 3.43Å
582	D	61.6	Low	66	Low	75 Å²	75	91.1 Å²	91.1	40%	0.401	43%	0.427	S	S	.	.	H	α-helix	trans	-67.7	-33.7	178.2	60.9	-62.7	0	0	0	113.4	R580 E586	R580-D582 VanDerWaalsContact C-N 3.32Å; R580-D582 WeakPolarHBondContact CB-OD1 3.35Å; R580-D582 IonicContact CZ-OD1 2.72Å; R580-D582 IonicContact CZ-OD2 3.29Å; R580-D582 IonicContact NE-OD1 3.58Å; R580-D582 PolarHBondContact NE-OD1 2.78Å; R580-D582 IonicContact NE-OD2 2.67Å; R580-D582 PolarHBondContact NE-OD2 3.03Å; R580-D582 IonicContact NH2-OD1 2.77Å; R580-D582 PolarHBondContact NH2-OD1 3.22Å; R580-D582 IonicContact NH2-OD2 3.99Å; R580-D582 PolarHBondContact NH2-OD2 3.12Å; R580-D582 PolarHBondContact O-N 3.03Å; D582-E586 WeakPolarHBondContact O-CB 3.43Å; D582-E586 PolarHBondContact O-N 2.8Å
583	V	66.4	Low	65	Low	70 Å²	70	89.2 Å²	89.2	42%	0.424	43%	0.426	S	S	.	.	H	α-helix	trans	-74.1	-36.6	175.7	-176.1	0	0	0	0	110.5	F578 R580 K581 H587	F578-V583 HydrophobicContact CD1-CG1 3.87Å; F578-V583 HydrophobicContact CE1-CG1 4.39Å; R580-V583 HydrophobicContact CB-CB 4.13Å; R580-V583 HydrophobicContact CB-CG2 3.76Å; R580-V583 PolarHBondContact O-N 3.26Å; R580-V583 VanDerWaalsContact O-N 3.16Å; K581-V583 PolarHBondContact O-N 3.17Å; V583-H587 WeakPolarHBondContact O-CB 3.36Å; V583-H587 PolarHBondContact O-N 3.13Å; V583-H587 VanDerWaalsContact O-N 3.1Å
584	M	80.3	Confident	63.6	Low	14 Å²	14	87.5 Å²	87.5	7%	0.069	43%	0.434	C	S	.	.	H	α-helix	trans	-63.9	-47	171.6	-162.5	-80.4	-84.4	0	0	110.8	C571 F578 R580 K581 H587 H588	C571-M584 HydrophobicContact CB-CG 4.26Å; C571-M584 HydrophobicContact CB-SD 4.14Å; F578-M584 HydrophobicContact CB-CB 3.89Å; F578-M584 HydrophobicContact CB-CG 4.29Å; F578-M584 HydrophobicContact CD2-CB 3.96Å; F578-M584 HydrophobicContact CD2-CG 3.64Å; F578-M584 HydrophobicContact CE2-CG 4.36Å; F578-M584 HydrophobicContact CG-CB 4.07Å; F578-M584 HydrophobicContact CG-CG 4.25Å; R580-M584 PolarHBondContact O-N 2.83Å; K581-M584 WeakPolarHBondContact O-CB 3.45Å; K581-M584 PolarHBondContact O-N 3.08Å; M584-H587 CarbonylContact O-C 3.56Å; M584-H587 WeakPolarHBondContact O-CA 3.31Å; M584-H587 WeakPolarHBondContact O-CB 3.36Å; M584-H587 PolarHBondContact O-N 3.3Å; M584-H588 PolarHBondContact O-N 2.76Å; M584-H588 PolarHBondContact SD-CE1 2.98Å; M584-H588 PolarHBondContact SD-ND1 2.86Å
585	Q	73.2	Confident	61.8	Low	98 Å²	98	89.2 Å²	89.2	46%	0.458	45%	0.451	S	S	.	.	H	α-helix	trans	-65.3	-41.5	179.2	-76.1	174.7	-45.4	0	0	112.9	K581 H587 H588 R589	K581-Q585 HydrophobicContact CG-CG 4.4Å; K581-Q585 WeakPolarHBondContact O-CB 3.31Å; K581-Q585 VanDerWaalsContact O-CG 3.25Å; K581-Q585 WeakPolarHBondContact O-CG 3.31Å; K581-Q585 PolarHBondContact O-N 3.43Å; Q585-H587 PolarHBondContact O-N 3.48Å; Q585-H588 WeakPolarHBondContact O-CB 3.45Å; Q585-H588 PolarHBondContact O-N 3.22Å; Q585-R589 WeakPolarHBondContact O-CB 3.16Å; Q585-R589 PolarHBondContact O-N 3.46Å
586	E	71	Confident	60.7	Low	65 Å²	65	93.6 Å²	93.6	30%	0.304	46%	0.464	S	S	.	.	H	α-helix	trans	-69.7	-20.5	172.4	170.8	57	-163.7	0	0	112.5	D582 R589 R590	D582-E586 WeakPolarHBondContact O-CB 3.43Å; D582-E586 PolarHBondContact O-N 2.8Å; E586-R589 IonicContact OE1-NH2 3.28Å; E586-R589 IonicContact OE2-CZ 2.6Å; E586-R589 IonicContact OE2-NE 2.69Å; E586-R589 PolarHBondContact OE2-NE 2.98Å; E586-R589 IonicContact OE2-NH2 3.2Å; E586-R589 PolarHBondContact OE2-NH2 3.26Å; E586-R589 VanDerWaalsContact OE2-NH2 3.09Å; E586-R590 WeakPolarHBondContact O-CG 3.49Å; E586-R590 IonicContact OE1-CZ 3.43Å; E586-R590 IonicContact OE1-NE 2.86Å; E586-R590 PolarHBondContact OE1-NE 3.36Å; E586-R590 IonicContact OE1-NH2 3.09Å; E586-R590 PolarHBondContact OE1-NH2 3.01Å
587	H	69.5	Low	59.7	Low	45 Å²	45	96.6 Å²	96.6	21%	0.208	48%	0.48	C	S	.	.	H	α-helix	trans	-75.7	-45.9	167.5	-178.1	67.9	0	0	0	112	C571 C574 F578 V583 M584 Q585 R589 R590 H591	C571-H587 VanDerWaalsContact SG-CD2 3.54Å; C574-H587 PolarHBondContact SG-NE2 3.04Å; F578-H587 HydrophobicContact CE1-CB 4.17Å; F578-H587 HydrophobicContact CE2-CB 4.19Å; F578-H587 AromaticContact CE2-CD2 3.7Å; F578-H587 HydrophobicContact CZ-CB 3.69Å; F578-H587 AromaticContact CZ-CD2 3.52Å; F578-H587 AromaticContact CZ-CG 3.46Å; F578-H587 VanDerWaalsContact CZ-CG 3.46Å; V583-H587 WeakPolarHBondContact O-CB 3.36Å; V583-H587 PolarHBondContact O-N 3.13Å; V583-H587 VanDerWaalsContact O-N 3.1Å; M584-H587 CarbonylContact O-C 3.56Å; M584-H587 WeakPolarHBondContact O-CA 3.31Å; M584-H587 WeakPolarHBondContact O-CB 3.36Å; M584-H587 PolarHBondContact O-N 3.3Å; Q585-H587 PolarHBondContact O-N 3.48Å; H587-R589 VanDerWaalsContact C-N 3.27Å; H587-R589 PolarHBondContact O-N 3.33Å; H587-R590 PolarHBondContact O-N 2.84Å; H587-R590 VanDerWaalsContact O-N 3.11Å; H587-H591 AromaticContact CD2-NE2 3.72Å; H587-H591 AromaticContact CE1-NE2 3.61Å; H587-H591 AromaticContact NE2-NE2 3.1Å; H587-H591 PolarHBondContact NE2-NE2 3.49Å; H587-H591 VanDerWaalsContact NE2-NE2 3.1Å; H587-H591 PolarHBondContact O-CD2 3.05Å; H587-H591 VanDerWaalsContact O-CD2 3.26Å
588	H	67.1	Low	58.2	Low	38 Å²	38	99.6 Å²	99.6	18%	0.176	49%	0.494	C	S	.	.	H	α-helix	trans	-52	-46.1	168.8	-88.9	160.5	0	0	0	111.4	C571 E572 M584 Q585 R590 H591 S592	C571-H588 PolarHBondContact SG-CD2 3.04Å; E572-H588 PolarHBondContact N-NE2 3.04Å; E572-H588 IonicContact OE2-CE1 2.72Å; E572-H588 IonicContact OE2-NE2 2.73Å; M584-H588 PolarHBondContact O-N 2.76Å; M584-H588 PolarHBondContact SD-CE1 2.98Å; M584-H588 PolarHBondContact SD-ND1 2.86Å; Q585-H588 WeakPolarHBondContact O-CB 3.45Å; Q585-H588 PolarHBondContact O-N 3.22Å; H588-R590 PolarHBondContact O-N 2.61Å; H588-H591 WeakPolarHBondContact O-CB 2.81Å; H588-H591 PolarHBondContact O-N 3.09Å; H588-S592 PolarHBondContact O-N 3.2Å
589	R	71.9	Confident	56.2	Low	136 Å²	136	107.4 Å²	107.4	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-16.2	-179.7	-132.3	179.5	60.4	72	12.7	114.4	Q585 E586 H587 S592 V593	Q585-R589 WeakPolarHBondContact O-CB 3.16Å; Q585-R589 PolarHBondContact O-N 3.46Å; E586-R589 IonicContact OE1-NH2 3.28Å; E586-R589 IonicContact OE2-CZ 2.6Å; E586-R589 IonicContact OE2-NE 2.69Å; E586-R589 PolarHBondContact OE2-NE 2.98Å; E586-R589 IonicContact OE2-NH2 3.2Å; E586-R589 PolarHBondContact OE2-NH2 3.26Å; E586-R589 VanDerWaalsContact OE2-NH2 3.09Å; H587-R589 VanDerWaalsContact C-N 3.27Å; H587-R589 PolarHBondContact O-N 3.33Å; R589-S592 WeakPolarHBondContact CA-OG 3.43Å; R589-S592 PolarHBondContact O-OG 3.4Å; R589-V593 VanDerWaalsContact O-CG2 3.22Å; R589-V593 WeakPolarHBondContact O-CG2 3.27Å; R589-V593 PolarHBondContact O-N 2.92Å
590	R	61.3	Low	54.8	Low	171 Å²	171	111 Å²	111	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-90.9	-16.2	174.8	-69.1	173.4	-167.3	-175.8	5.6	113.5	E586 H587 H588	E586-R590 WeakPolarHBondContact O-CG 3.49Å; E586-R590 IonicContact OE1-CZ 3.43Å; E586-R590 IonicContact OE1-NE 2.86Å; E586-R590 PolarHBondContact OE1-NE 3.36Å; E586-R590 IonicContact OE1-NH2 3.09Å; E586-R590 PolarHBondContact OE1-NH2 3.01Å; H587-R590 PolarHBondContact O-N 2.84Å; H587-R590 VanDerWaalsContact O-N 3.11Å; H588-R590 PolarHBondContact O-N 2.61Å
591	H	64.9	Low	53.5	Low	75 Å²	75	111.2 Å²	111.2	35%	0.347	55%	0.553	S	S	.	*	H	α-helix	trans	-76.9	-39.8	163.7	-61.5	-81.8	0	0	0	110.3	I573 H587 H588 V593 G594	I573-H591 HydrophobicContact CD1-CB 3.72Å; I573-H591 HydrophobicContact CG2-CB 4.13Å; H587-H591 AromaticContact CD2-NE2 3.72Å; H587-H591 AromaticContact CE1-NE2 3.61Å; H587-H591 AromaticContact NE2-NE2 3.1Å; H587-H591 PolarHBondContact NE2-NE2 3.49Å; H587-H591 VanDerWaalsContact NE2-NE2 3.1Å; H587-H591 PolarHBondContact O-CD2 3.05Å; H587-H591 VanDerWaalsContact O-CD2 3.26Å; H588-H591 WeakPolarHBondContact O-CB 2.81Å; H588-H591 PolarHBondContact O-N 3.09Å; H591-V593 PolarHBondContact O-N 3.34Å; H591-G594 PolarHBondContact O-N 2.83Å
592	S	55.9	Low	52	Low	82 Å²	82	113.6 Å²	113.6	57%	0.573	57%	0.566	S	S	*	*	H	α-helix	trans	-74.9	-20.2	-177.5	68.3	0	0	0	0	115.4	H588 R589 G594	H588-S592 PolarHBondContact O-N 3.2Å; R589-S592 WeakPolarHBondContact CA-OG 3.43Å; R589-S592 PolarHBondContact O-OG 3.4Å; S592-G594 PolarHBondContact O-N 3.13Å
593	V	48.4	Very low	50.5	Low	110 Å²	110	117.9 Å²	117.9	67%	0.667	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	0.6	173.7	169.4	0	0	0	0	112.2	R589 H591	R589-V593 VanDerWaalsContact O-CG2 3.22Å; R589-V593 WeakPolarHBondContact O-CG2 3.27Å; R589-V593 PolarHBondContact O-N 2.92Å; H591-V593 PolarHBondContact O-N 3.34Å
594	G	40.4	Very low	49.1	Very low	68 Å²	68	124.2 Å²	124.2	70%	0.701	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	2.5	-177.3	0	0	0	0	0	117.3	H591 S592	H591-G594 PolarHBondContact O-N 2.83Å; S592-G594 PolarHBondContact O-N 3.13Å
595	A	36.6	Very low	46.9	Very low	78 Å²	78	127.2 Å²	127.2	65%	0.645	64%	0.64	S	S	*	*	S	Bend	trans	-152	120.6	-177.1	0	0	0	0	0	115.8
596	K	34.8	Very low	44.9	Very low	219 Å²	219	130.5 Å²	130.5	95%	0.952	66%	0.66	S	S	*	*			trans	66.3	154.8	160.7	-59.3	-176.3	-179.9	-178.3	0	118.2
597	Q	39	Very low	43	Very low	182 Å²	182	131 Å²	131	85%	0.85	68%	0.683	S	S	*	*			trans	-150.3	125.5	-177.1	173	-175.4	7	0	0	107.4
598	M	31.1	Very low	41.2	Very low	188 Å²	188	138.5 Å²	138.5	93%	0.926	72%	0.718	S	S	*	*			trans	179.6	149	163.7	-106.8	167.9	-162.4	0	0	111.8
599	K	29.8	Very low	39.8	Very low	207 Å²	207	145.5 Å²	145.5	90%	0.9	75%	0.751	S	S	*	*			trans	62.5	145.1	178.1	-76.6	-169.1	174.5	-174.9	0	116.3
600	K	27.9	Very low	37.9	Very low	147 Å²	147	141.8 Å²	141.8	64%	0.639	76%	0.755	S	S	*	*			cis	-160.9	161	-18.2	-171.8	-137.9	160.5	-153.1	0	106.4	E602	K600-E602 IonicContact NZ-OE2 2.82Å; K600-E602 PolarHBondContact NZ-OE2 3.24Å
601	E	31.8	Very low	36.9	Very low	156 Å²	156	139.6 Å²	139.6	73%	0.729	76%	0.761	S	S	*	*			trans	-64.4	135.8	169.6	-48.4	99.8	124.2	0	0	112.5
602	E	29.3	Very low	35.3	Very low	162 Å²	162	145.2 Å²	145.2	76%	0.757	78%	0.784	S	S	*	*			trans	-167.8	167.7	133.3	-108.9	162.2	97.7	0	0	109.5	K600	K600-E602 IonicContact NZ-OE2 2.82Å; K600-E602 PolarHBondContact NZ-OE2 3.24Å
603	L	30.7	Very low	34.1	Very low	165 Å²	165	152.5 Å²	152.5	86%	0.864	80%	0.801	S	S	*	*			trans	70.3	61.5	178.2	-60.2	162.5	0	0	0	116.8
604	E	35.9	Very low	33.4	Very low	203 Å²	203	157.9 Å²	157.9	95%	0.949	81%	0.809	S	S	*	*			trans	-87.1	112.6	136.5	-71.3	-166.4	146.3	0	0	108.4
605	A	34.3	Very low	33.7	Very low	76 Å²	76	164.2 Å²	164.2	63%	0.628	82%	0.818	S	S	*	*			trans	-158.2	136.1	169.9	0	0	0	0	0	110.1
606	N	30.2	Very low	33.9	Very low	167 Å²	167	167.6 Å²	167.6	89%	0.893	82%	0.82	S	S	*	*			trans	57	103.3	173.2	-55.9	-13.1	0	0	0	115.9
607	G	31.3	Very low	34.7	Very low	75 Å²	75	161.4 Å²	161.4	77%	0.773	80%	0.802	S	S	*	*			trans	-98.8	160.9	164.2	0	0	0	0	0	111.8
608	E	32.6	Very low	35.7	Very low	204 Å²	204	153.3 Å²	153.3	95%	0.953	77%	0.766	S	S	*	*				-163.3	177.5	127.6	-111.7	176.6	-162.4	0	0	110.9
609	E	37.5	Very low	36.9	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	74%	0.744	S	S	*	*			trans	-91.4	133.1	-143.1	-160.1	171.7	178.4	0	0	116
610	G	31.1	Very low	38.6	Very low	59 Å²	59	138 Å²	138	61%	0.608	70%	0.701	S	S	*	*			trans	-159	67.3	-174.4	0	0	0	0	0	114.4	K612	G610-K612 PolarHBondContact O-N 2.86Å; G610-K612 VanDerWaalsContact O-N 3.11Å
611	T	41.3	Very low	39.9	Very low	125 Å²	125	136.4 Å²	136.4	77%	0.767	71%	0.706	S	S	*	*			trans	-49.4	106.9	-168.1	52	0	0	0	0	115.9
612	K	32	Very low	41.1	Very low	193 Å²	193	133.2 Å²	133.2	84%	0.839	69%	0.693	S	S	*	*			trans	-136.2	101.3	170.6	-71.7	171	-171.7	148.4	0	110.5	G610 R614	G610-K612 PolarHBondContact O-N 2.86Å; G610-K612 VanDerWaalsContact O-N 3.11Å; K612-R614 PolarHBondContact O-N 3.31Å
613	Y	29.9	Very low	42.8	Very low	234 Å²	234	128.3 Å²	128.3	92%	0.918	68%	0.676	S	S	*	*			trans	-47	108.7	-178.8	-86.5	-89.6	0	0	0	113.4
614	R	33.2	Very low	44.3	Very low	223 Å²	223	122.7 Å²	122.7	84%	0.842	66%	0.658	S	S	*	*			trans	-65.2	143	163	-72.3	-168.9	-177.8	-107.2	5.6	109.3	K612 E616	K612-R614 PolarHBondContact O-N 3.31Å; R614-E616 VanDerWaalsContact C-N 3.34Å; R614-E616 HydrophobicContact CB-CG 4.49Å; R614-E616 PolarHBondContact O-N 3.05Å
615	K	46.7	Very low	45.6	Very low	202 Å²	202	119.5 Å²	119.5	88%	0.878	64%	0.641	S	S	*	*			trans	-86.4	77.8	171.4	-77.5	-177.8	179	171.3	0	110
616	E	41.4	Very low	47.1	Very low	149 Å²	149	120.6 Å²	120.6	70%	0.696	64%	0.639	S	S	*	*			trans	-69.9	147.6	168.2	-63.7	-174.9	152	0	0	110.9	R614 S618	R614-E616 VanDerWaalsContact C-N 3.34Å; R614-E616 HydrophobicContact CB-CG 4.49Å; R614-E616 PolarHBondContact O-N 3.05Å; E616-S618 PolarHBondContact O-N 3.1Å
617	P	52	Low	49.1	Very low	88 Å²	88	114.9 Å²	114.9	57%	0.571	61%	0.607	S	S	*	*			trans	-65.8	97.5	169.2	-18.7	33.4	0	0	0	109.9	P619 V626	P617-P619 VanDerWaalsContact O-CD 3.24Å; P617-P619 WeakPolarHBondContact O-CD 3.47Å; P617-V626 HydrophobicContact CB-CG1 3.32Å
618	S	60.1	Low	50.3	Low	13 Å²	13	116.5 Å²	116.5	9%	0.091	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74	117.1	-171.4	56.9	0	0	0	0	111.9	E616 F627 M633	E616-S618 PolarHBondContact O-N 3.1Å; S618-F627 PolarHBondContact N-O 3.19Å; S618-F627 VanDerWaalsContact N-O 3.17Å; S618-F627 PolarHBondContact O-N 3.46Å; S618-M633 WeakPolarHBondContact OG-CB 3.37Å
619	P	55.6	Low	51.5	Low	72 Å²	72	108.8 Å²	108.8	47%	0.468	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.6	150.3	170.2	30.3	-34.6	0	0	0	111.3	P617 P621 G624 K625 V626	P617-P619 VanDerWaalsContact O-CD 3.24Å; P617-P619 WeakPolarHBondContact O-CD 3.47Å; P619-P621 VanDerWaalsContact O-CD 3.32Å; P619-P621 WeakPolarHBondContact O-CD 3.23Å; P619-G624 VanDerWaalsContact CB-O 3.26Å; P619-G624 WeakPolarHBondContact CB-O 3.4Å; P619-K625 CarbonylContact C-O 3.57Å; P619-K625 WeakPolarHBondContact CA-O 3.44Å; P619-V626 HydrophobicContact CB-CG2 4.23Å
620	C	64.8	Low	52.6	Low	1 Å²	1	108.1 Å²	108.1	1%	0.007	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-74.7	117.9	170.3	-179.4	0	0	0	0	110.3	I622 C623 G624 K625 F627 H636	C620-I622 PolarHBondContact O-N 3.34Å; C620-C623 PolarHBondContact O-N 2.73Å; C620-C623 VanDerWaalsContact O-N 3.17Å; C620-G624 WeakPolarHBondContact O-CA 3.35Å; C620-G624 PolarHBondContact O-N 2.72Å; C620-K625 PolarHBondContact N-O 3.15Å; C620-F627 HydrophobicContact CB-CE2 4.19Å; C620-H636 PolarHBondContact SG-CD2 2.93Å; C620-H636 PolarHBondContact SG-NE2 3.24Å
621	P	57	Low	53.8	Low	113 Å²	113	109.4 Å²	109.4	73%	0.734	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-9.7	-179.5	-25.4	35.9	0	0	0	115.4	P619	P619-P621 VanDerWaalsContact O-CD 3.32Å; P619-P621 WeakPolarHBondContact O-CD 3.23Å
622	I	56.1	Low	54.6	Low	89 Å²	89	107 Å²	107	46%	0.456	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-19.3	-175.6	-59.4	175.6	0	0	0	112	C620 L637 H640	C620-I622 PolarHBondContact O-N 3.34Å; I622-L637 HydrophobicContact CD1-CD2 3.99Å; I622-L637 HydrophobicContact CG1-CD2 4.44Å; I622-H640 HydrophobicContact CD1-CB 3.85Å
623	C	64.9	Low	56.8	Low	59 Å²	59	97.9 Å²	97.9	40%	0.399	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.5	21.3	179.1	70.6	0	0	0	0	115.9	C620 K625 H636	C620-C623 PolarHBondContact O-N 2.73Å; C620-C623 VanDerWaalsContact O-N 3.17Å; C623-K625 PolarHBondContact O-N 3.24Å; C623-H636 PolarHBondContact SG-NE2 3.16Å
624	G	61.7	Low	58.1	Low	47 Å²	47	90.5 Å²	90.5	49%	0.485	48%	0.483	S	S	.	.			trans	72.9	-29	173.1	0	0	0	0	0	116.2	P619 C620 V626	P619-G624 VanDerWaalsContact CB-O 3.26Å; P619-G624 WeakPolarHBondContact CB-O 3.4Å; C620-G624 WeakPolarHBondContact O-CA 3.35Å; C620-G624 PolarHBondContact O-N 2.72Å; G624-V626 PolarHBondContact O-N 3.04Å
625	K	63.4	Low	59.5	Low	136 Å²	136	87.3 Å²	87.3	59%	0.591	48%	0.475	S	S	*	.			trans	-51.3	120.9	-171.3	-68.2	-172.6	178.8	-172.8	0	113	P619 C620 C623 F627	P619-K625 CarbonylContact C-O 3.57Å; P619-K625 WeakPolarHBondContact CA-O 3.44Å; C620-K625 PolarHBondContact N-O 3.15Å; C623-K625 PolarHBondContact O-N 3.24Å; K625-F627 HydrophobicContact CB-CE2 3.73Å; K625-F627 HydrophobicContact CB-CZ 4.14Å; K625-F627 WeakPolarHBondContact O-CD2 3.33Å; K625-F627 WeakPolarHBondContact O-CE2 3.4Å
626	V	66.3	Low	60.4	Low	99 Å²	99	79.2 Å²	79.2	60%	0.6	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.6	-179.8	178	0	0	0	0	110.7	P617 P619 G624	P617-V626 HydrophobicContact CB-CG1 3.32Å; P619-V626 HydrophobicContact CB-CG2 4.23Å; G624-V626 PolarHBondContact O-N 3.04Å
627	F	72.8	Confident	61.4	Low	48 Å²	48	74.5 Å²	74.5	21%	0.211	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.8	176.9	-67.2	-90.3	0	0	0	111.5	S618 C620 K625 C629 N632 M633 H636	S618-F627 PolarHBondContact N-O 3.19Å; S618-F627 VanDerWaalsContact N-O 3.17Å; S618-F627 PolarHBondContact O-N 3.46Å; C620-F627 HydrophobicContact CB-CE2 4.19Å; K625-F627 HydrophobicContact CB-CE2 3.73Å; K625-F627 HydrophobicContact CB-CZ 4.14Å; K625-F627 WeakPolarHBondContact O-CD2 3.33Å; K625-F627 WeakPolarHBondContact O-CE2 3.4Å; F627-C629 PolarHBondContact O-N 3.03Å; F627-N632 HydrophobicContact CB-CB 4.34Å; F627-N632 HydrophobicContact CD1-CB 4.25Å; F627-M633 HydrophobicContact CB-CB 4.04Å; F627-M633 HydrophobicContact CD2-CB 4.15Å; F627-M633 HydrophobicContact CD2-CG 4.32Å; F627-M633 HydrophobicContact CG-CB 4.28Å; F627-H636 HydrophobicContact CE1-CB 4.02Å; F627-H636 HydrophobicContact CE2-CB 4.01Å; F627-H636 AromaticContact CE2-CD2 3.16Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.43Å; F627-H636 AromaticContact CE2-CG 3.7Å; F627-H636 AromaticContact CE2-NE2 3.91Å; F627-H636 HydrophobicContact CZ-CB 3.61Å; F627-H636 AromaticContact CZ-CD2 3.33Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.49Å; F627-H636 AromaticContact CZ-CG 3.38Å
628	S	56.3	Low	61.9	Low	109 Å²	109	76.4 Å²	76.4	76%	0.762	42%	0.424	S	S	*	.	S	Bend	trans	-64.5	-8.1	-178.9	53.7	0	0	0	0	115.4
629	C	57.9	Low	61.6	Low	42 Å²	42	80.3 Å²	80.3	28%	0.284	45%	0.448	S	S	.	.	S	Bend	trans	-157.9	152.9	164.9	69.5	0	0	0	0	112.1	F627 S631 N632 M633	F627-C629 PolarHBondContact O-N 3.03Å; C629-S631 PolarHBondContact O-N 3.25Å; C629-S631 VanDerWaalsContact O-N 3.13Å; C629-N632 PolarHBondContact O-N 3.1Å; C629-N632 VanDerWaalsContact SG-CG 3.52Å; C629-N632 PolarHBondContact SG-N 3.37Å; C629-N632 VanDerWaalsContact SG-N 3.43Å; C629-M633 PolarHBondContact O-N 2.91Å
630	R	60	Low	61.7	Low	169 Å²	169	78.8 Å²	78.8	64%	0.638	44%	0.435	S	S	*	.	H	α-helix	trans	-60	-23.6	178.8	-161.6	168.9	176.5	81.8	-8.5	113.6	M633 N634	R630-M633 HydrophobicContact CG-CE 3.72Å; R630-M633 HydrophobicContact CG-SD 4.38Å; R630-N634 WeakPolarHBondContact O-CB 3.45Å; R630-N634 PolarHBondContact O-N 3.43Å
631	S	55.8	Low	60.7	Low	87 Å²	87	81.5 Å²	81.5	61%	0.608	46%	0.462	S	S	*	.	H	α-helix	trans	-72.9	-35.3	173.1	-49.5	0	0	0	0	113.3	C629 N634 K635	C629-S631 PolarHBondContact O-N 3.25Å; C629-S631 VanDerWaalsContact O-N 3.13Å; S631-N634 PolarHBondContact O-N 3.49Å; S631-K635 PolarHBondContact O-N 2.97Å
632	N	59.5	Low	60.4	Low	73 Å²	73	80.1 Å²	80.1	39%	0.39	45%	0.449	S	S	.	.	H	α-helix	trans	-74.6	-38.9	173.3	-74.8	-10	0	0	0	110.6	F627 C629 N634 K635 H636	F627-N632 HydrophobicContact CB-CB 4.34Å; F627-N632 HydrophobicContact CD1-CB 4.25Å; C629-N632 PolarHBondContact O-N 3.1Å; C629-N632 VanDerWaalsContact SG-CG 3.52Å; C629-N632 PolarHBondContact SG-N 3.37Å; C629-N632 VanDerWaalsContact SG-N 3.43Å; N632-N634 VanDerWaalsContact C-N 3.33Å; N632-N634 PolarHBondContact O-N 3.39Å; N632-K635 PolarHBondContact O-N 3.1Å; N632-H636 PolarHBondContact O-N 3.25Å
633	M	77.3	Confident	60.1	Low	3 Å²	3	78.4 Å²	78.4	2%	0.015	44%	0.438	C	S	.	.	H	α-helix	trans	-56.1	-46.2	167.3	-173.2	-145.9	68.5	0	0	110.9	S618 F627 C629 R630 H636 L637	S618-M633 WeakPolarHBondContact OG-CB 3.37Å; F627-M633 HydrophobicContact CB-CB 4.04Å; F627-M633 HydrophobicContact CD2-CB 4.15Å; F627-M633 HydrophobicContact CD2-CG 4.32Å; F627-M633 HydrophobicContact CG-CB 4.28Å; C629-M633 PolarHBondContact O-N 2.91Å; R630-M633 HydrophobicContact CG-CE 3.72Å; R630-M633 HydrophobicContact CG-SD 4.38Å; M633-H636 CarbonylContact O-C 3.55Å; M633-H636 WeakPolarHBondContact O-CA 3.46Å; M633-H636 WeakPolarHBondContact O-CB 3.16Å; M633-H636 PolarHBondContact O-N 3.04Å; M633-H636 VanDerWaalsContact O-N 3.13Å; M633-L637 HydrophobicContact CE-CD1 3.66Å; M633-L637 HydrophobicContact CE-CG 4.4Å; M633-L637 WeakPolarHBondContact O-CG 3.46Å; M633-L637 PolarHBondContact O-N 3.4Å
634	N	57.8	Low	59.5	Low	78 Å²	78	81.5 Å²	81.5	42%	0.417	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-43.7	176	-94.3	32.4	0	0	0	112.7	R630 S631 N632 H636 L637 L638	R630-N634 WeakPolarHBondContact O-CB 3.45Å; R630-N634 PolarHBondContact O-N 3.43Å; S631-N634 PolarHBondContact O-N 3.49Å; N632-N634 VanDerWaalsContact C-N 3.33Å; N632-N634 PolarHBondContact O-N 3.39Å; N634-H636 PolarHBondContact O-N 3.45Å; N634-L637 CarbonylContact O-C 3.6Å; N634-L637 WeakPolarHBondContact O-CA 3.43Å; N634-L637 WeakPolarHBondContact O-CB 3.49Å; N634-L637 PolarHBondContact O-N 2.87Å; N634-L638 WeakPolarHBondContact O-CD1 3.47Å; N634-L638 PolarHBondContact O-N 2.91Å
635	K	62.5	Low	59.2	Low	156 Å²	156	83.2 Å²	83.2	68%	0.678	44%	0.437	S	S	*	.	H	α-helix	trans	-59.1	-33.1	173.6	-77.8	-174.5	174.8	-174.9	0	112.4	S631 N632 L638 T639	S631-K635 PolarHBondContact O-N 2.97Å; N632-K635 PolarHBondContact O-N 3.1Å; K635-L638 WeakPolarHBondContact O-CB 3.5Å; K635-L638 PolarHBondContact O-N 2.04Å; K635-T639 PolarHBondContact O-N 3.12Å
636	H	65.7	Low	58.7	Low	33 Å²	33	79.6 Å²	79.6	15%	0.153	43%	0.427	C	S	.	.	H	α-helix	trans	-75.2	-36	171.7	171.8	55.8	0	0	0	112.9	C620 C623 F627 N632 M633 N634 L638 T639 H640	C620-H636 PolarHBondContact SG-CD2 2.93Å; C620-H636 PolarHBondContact SG-NE2 3.24Å; C623-H636 PolarHBondContact SG-NE2 3.16Å; F627-H636 HydrophobicContact CE1-CB 4.02Å; F627-H636 HydrophobicContact CE2-CB 4.01Å; F627-H636 AromaticContact CE2-CD2 3.16Å; F627-H636 WeakPolarHBondContact CE2-CD2 3.43Å; F627-H636 AromaticContact CE2-CG 3.7Å; F627-H636 AromaticContact CE2-NE2 3.91Å; F627-H636 HydrophobicContact CZ-CB 3.61Å; F627-H636 AromaticContact CZ-CD2 3.33Å; F627-H636 WeakPolarHBondContact CZ-CD2 3.49Å; F627-H636 AromaticContact CZ-CG 3.38Å; N632-H636 PolarHBondContact O-N 3.25Å; M633-H636 CarbonylContact O-C 3.55Å; M633-H636 WeakPolarHBondContact O-CA 3.46Å; M633-H636 WeakPolarHBondContact O-CB 3.16Å; M633-H636 PolarHBondContact O-N 3.04Å; M633-H636 VanDerWaalsContact O-N 3.13Å; N634-H636 PolarHBondContact O-N 3.45Å; H636-L638 PolarHBondContact O-N 3.26Å; H636-T639 PolarHBondContact ND1-OG1 3.22Å; H636-T639 WeakPolarHBondContact O-CA 3.39Å; H636-T639 WeakPolarHBondContact O-CB 3.39Å; H636-T639 PolarHBondContact O-N 2.7Å; H636-T639 PolarHBondContact O-OG1 3.13Å; H636-H640 AromaticContact CE1-NE2 3.6Å; H636-H640 AromaticContact NE2-NE2 3.52Å; H636-H640 PolarHBondContact O-N 2.74Å
637	L	61.8	Low	58.4	Low	49 Å²	49	74.9 Å²	74.9	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-29.9	168.1	-69.8	-177.6	0	0	0	112.2	I622 M633 N634 T639 H640 G641	I622-L637 HydrophobicContact CD1-CD2 3.99Å; I622-L637 HydrophobicContact CG1-CD2 4.44Å; M633-L637 HydrophobicContact CE-CD1 3.66Å; M633-L637 HydrophobicContact CE-CG 4.4Å; M633-L637 WeakPolarHBondContact O-CG 3.46Å; M633-L637 PolarHBondContact O-N 3.4Å; N634-L637 CarbonylContact O-C 3.6Å; N634-L637 WeakPolarHBondContact O-CA 3.43Å; N634-L637 WeakPolarHBondContact O-CB 3.49Å; N634-L637 PolarHBondContact O-N 2.87Å; L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.36Å; L637-H640 CarbonylContact O-C 3.48Å; L637-H640 VanDerWaalsContact O-C 3.24Å; L637-H640 VanDerWaalsContact O-CA 3.24Å; L637-H640 WeakPolarHBondContact O-CA 3.45Å; L637-H640 VanDerWaalsContact O-CB 3.29Å; L637-H640 WeakPolarHBondContact O-CB 3.29Å; L637-H640 PolarHBondContact O-N 3.41Å; L637-G641 PolarHBondContact O-N 2.84Å
638	L	63.5	Low	57.3	Low	128 Å²	128	80.9 Å²	80.9	67%	0.67	43%	0.427	S	S	*	.	H	α-helix	trans	-65.5	-29.2	169.6	-90.9	70.5	0	0	0	112.1	N634 K635 H636 H640 G641	N634-L638 WeakPolarHBondContact O-CD1 3.47Å; N634-L638 PolarHBondContact O-N 2.91Å; K635-L638 WeakPolarHBondContact O-CB 3.5Å; K635-L638 PolarHBondContact O-N 2.04Å; H636-L638 PolarHBondContact O-N 3.26Å; L638-H640 PolarHBondContact O-N 3.27Å; L638-G641 PolarHBondContact O-N 2.98Å
639	T	54	Low	57.3	Low	96 Å²	96	77.9 Å²	77.9	59%	0.589	40%	0.402	S	S	*	.	H	α-helix	trans	-71.5	-11.9	167.5	73	0	0	0	0	113.3	K635 H636 L637	K635-T639 PolarHBondContact O-N 3.12Å; H636-T639 PolarHBondContact ND1-OG1 3.22Å; H636-T639 WeakPolarHBondContact O-CA 3.39Å; H636-T639 WeakPolarHBondContact O-CB 3.39Å; H636-T639 PolarHBondContact O-N 2.7Å; H636-T639 PolarHBondContact O-OG1 3.13Å; L637-T639 VanDerWaalsContact C-N 3.28Å; L637-T639 PolarHBondContact O-N 3.36Å
640	H	55.9	Low	57.2	Low	40 Å²	40	78 Å²	78	19%	0.185	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	2	164.5	-65.8	-50.8	0	0	0	113.3	I622 H636 L637 L638 K643	I622-H640 HydrophobicContact CD1-CB 3.85Å; H636-H640 AromaticContact CE1-NE2 3.6Å; H636-H640 AromaticContact NE2-NE2 3.52Å; H636-H640 PolarHBondContact O-N 2.74Å; L637-H640 CarbonylContact O-C 3.48Å; L637-H640 VanDerWaalsContact O-C 3.24Å; L637-H640 VanDerWaalsContact O-CA 3.24Å; L637-H640 WeakPolarHBondContact O-CA 3.45Å; L637-H640 VanDerWaalsContact O-CB 3.29Å; L637-H640 WeakPolarHBondContact O-CB 3.29Å; L637-H640 PolarHBondContact O-N 3.41Å; L638-H640 PolarHBondContact O-N 3.27Å; H640-K643 WeakPolarHBondContact O-CD 3.47Å; H640-K643 VanDerWaalsContact O-CE 3.25Å; H640-K643 WeakPolarHBondContact O-CE 3.37Å; H640-K643 VanDerWaalsContact O-CG 3.27Å; H640-K643 WeakPolarHBondContact O-CG 3.33Å
641	G	44.4	Very low	56.4	Low	57 Å²	57	72.2 Å²	72.2	59%	0.588	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-50	-173.3	0	0	0	0	0	114.1	L637 L638 K643	L637-G641 PolarHBondContact O-N 2.84Å; L638-G641 PolarHBondContact O-N 2.98Å; G641-K643 PolarHBondContact O-N 3.24Å
642	D	49.9	Very low	56.4	Low	85 Å²	85	75.3 Å²	75.3	46%	0.455	39%	0.394	S	S	.	.			trans	-80	42.5	-175.5	-95.3	-43	0	0	0	114	K644 F655	D642-K644 VanDerWaalsContact C-N 3.26Å; D642-K644 PolarHBondContact O-N 3.09Å; D642-K644 VanDerWaalsContact OD1-CE 3.28Å; D642-K644 WeakPolarHBondContact OD1-CE 3.21Å; D642-K644 IonicContact OD1-NZ 3.2Å; D642-F655 HydrophobicContact CB-CE2 4.21Å
643	K	51.6	Low	56.2	Low	53 Å²	53	77.7 Å²	77.7	23%	0.23	40%	0.401	C	S	.	.			trans	-80.3	69.9	178.7	-66.8	168.9	173.3	-176.2	0	111.5	H640 G641 Y645 K653 F654	H640-K643 WeakPolarHBondContact O-CD 3.47Å; H640-K643 VanDerWaalsContact O-CE 3.25Å; H640-K643 WeakPolarHBondContact O-CE 3.37Å; H640-K643 VanDerWaalsContact O-CG 3.27Å; H640-K643 WeakPolarHBondContact O-CG 3.33Å; G641-K643 PolarHBondContact O-N 3.24Å; K643-Y645 PolarHBondContact O-N 2.69Å; K643-Y645 VanDerWaalsContact O-N 3.14Å; K643-K653 HydrophobicContact CB-CB 3.44Å; K643-K653 VanDerWaalsContact CB-CB 3.44Å; K643-K653 HydrophobicContact CD-CB 3.89Å; K643-K653 VanDerWaalsContact CD-O 3.26Å; K643-K653 WeakPolarHBondContact CD-O 3.39Å; K643-K653 HydrophobicContact CG-CB 4.23Å; K643-F654 CarbonylContact C-O 3.54Å; K643-F654 WeakPolarHBondContact CA-O 3.26Å
644	K	52.3	Low	55.7	Low	123 Å²	123	79.4 Å²	79.4	54%	0.535	41%	0.408	S	S	.	.			trans	-70.5	-0.2	-175.4	-60.7	-168.6	179.5	-173.1	0	115.4	D642	D642-K644 VanDerWaalsContact C-N 3.26Å; D642-K644 PolarHBondContact O-N 3.09Å; D642-K644 VanDerWaalsContact OD1-CE 3.28Å; D642-K644 WeakPolarHBondContact OD1-CE 3.21Å; D642-K644 IonicContact OD1-NZ 3.2Å
645	Y	55.3	Low	55.5	Low	84 Å²	84	82 Å²	82	33%	0.329	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	93.8	-176.5	-61.3	-67.9	0	0	0	111	K643 F654 V657 K870	K643-Y645 PolarHBondContact O-N 2.69Å; K643-Y645 VanDerWaalsContact O-N 3.14Å; Y645-F654 PolarHBondContact N-O 3.27Å; Y645-F654 PolarHBondContact O-N 3.43Å; Y645-V657 HydrophobicContact CD1-CG2 3.87Å; Y645-V657 HydrophobicContact CD2-CG2 4.15Å; Y645-V657 HydrophobicContact CE1-CG2 3.41Å; Y645-V657 VanDerWaalsContact CE1-CG2 3.41Å; Y645-V657 HydrophobicContact CE2-CG2 3.69Å; Y645-V657 HydrophobicContact CG-CG2 4.21Å; Y645-K870 PolarHBondContact OH-NZ 3.17Å
646	T	52.5	Low	55.4	Low	60 Å²	60	81.2 Å²	81.2	37%	0.368	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	137.6	172.5	33.5	0	0	0	0	111.2	K653 L660	T646-K653 HydrophobicContact CG2-CB 4.3Å; T646-K653 HydrophobicContact CG2-CD 3.75Å; T646-K653 HydrophobicContact CG2-CG 3.68Å; T646-L660 WeakPolarHBondContact O-CD2 3.15Å
647	C	59.7	Low	54.6	Low	0 Å²	0	81.7 Å²	81.7	0%	0	41%	0.414	C	S	.	.			trans	-83	110	159.3	-177.3	0	0	0	0	108.2	I649 C650 G651 R652 F654 L660 H667	C647-I649 PolarHBondContact O-N 3.46Å; C647-C650 PolarHBondContact O-N 3.47Å; C647-G651 WeakPolarHBondContact O-CA 3.48Å; C647-G651 PolarHBondContact O-N 2.95Å; C647-R652 WeakPolarHBondContact CB-O 3.38Å; C647-R652 PolarHBondContact N-O 3.33Å; C647-F654 HydrophobicContact CB-CD2 4.37Å; C647-F654 HydrophobicContact CB-CE2 4.05Å; C647-L660 HydrophobicContact CB-CD1 3.52Å; C647-H667 PolarHBondContact SG-CD2 3.25Å
648	E	50.6	Low	53.8	Low	174 Å²	174	82 Å²	82	81%	0.813	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.7	-179.6	-75.3	138.8	-152.2	0	0	112.1	C650	E648-C650 VanDerWaalsContact C-N 3.32Å; E648-C650 PolarHBondContact O-N 3.34Å
649	I	56	Low	53.5	Low	45 Å²	45	79.4 Å²	79.4	23%	0.231	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.6	-178.1	-53.9	166.3	0	0	0	113.4	C647 I664 H667 I671 F682	C647-I649 PolarHBondContact O-N 3.46Å; I649-I664 HydrophobicContact CD1-CG2 4.42Å; I649-H667 HydrophobicContact CB-CB 4.12Å; I649-H667 HydrophobicContact CD1-CB 3.55Å; I649-H667 HydrophobicContact CG1-CB 4.43Å; I649-H667 HydrophobicContact CG2-CB 3.8Å; I649-I671 HydrophobicContact CD1-CD1 4.26Å; I649-I671 HydrophobicContact CG2-CD1 3.94Å; I649-F682 HydrophobicContact CG2-CZ 4.21Å
650	C	54.6	Low	54.1	Low	44 Å²	44	75.6 Å²	75.6	30%	0.297	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.1	14.6	-178.9	74.6	0	0	0	0	116.1	C647 E648 R652 H663 H667	C647-C650 PolarHBondContact O-N 3.47Å; E648-C650 VanDerWaalsContact C-N 3.32Å; E648-C650 PolarHBondContact O-N 3.34Å; C650-R652 PolarHBondContact O-N 3.03Å; C650-H663 PolarHBondContact SG-NE2 3.12Å; C650-H667 PolarHBondContact SG-CE1 3.42Å; C650-H667 PolarHBondContact SG-NE2 2.82Å
651	G	44.1	Very low	54.2	Low	48 Å²	48	79.9 Å²	79.9	50%	0.495	40%	0.396	S	S	.	.			trans	64.9	-14.2	-179	0	0	0	0	0	116.6	C647 K653	C647-G651 WeakPolarHBondContact O-CA 3.48Å; C647-G651 PolarHBondContact O-N 2.95Å; G651-K653 WeakPolarHBondContact O-CG 3.48Å; G651-K653 PolarHBondContact O-N 2.89Å
652	R	54.6	Low	54.8	Low	152 Å²	152	81.9 Å²	81.9	57%	0.574	39%	0.393	S	S	*	.			trans	-60.7	125.5	-178.2	-68.9	-176.6	179.9	102.1	-5.4	110	C647 C650 F654	C647-R652 WeakPolarHBondContact CB-O 3.38Å; C647-R652 PolarHBondContact N-O 3.33Å; C650-R652 PolarHBondContact O-N 3.03Å; R652-F654 HydrophobicContact CB-CE2 3.63Å; R652-F654 HydrophobicContact CB-CZ 4.1Å; R652-F654 WeakPolarHBondContact O-CD2 3.42Å; R652-F654 WeakPolarHBondContact O-CE2 3.31Å
653	K	55.4	Low	55.6	Low	123 Å²	123	78.6 Å²	78.6	54%	0.535	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	137.2	-177.2	-34.2	-168.5	179.1	-172.7	0	111.6	K643 T646 G651	K643-K653 HydrophobicContact CB-CB 3.44Å; K643-K653 VanDerWaalsContact CB-CB 3.44Å; K643-K653 HydrophobicContact CD-CB 3.89Å; K643-K653 VanDerWaalsContact CD-O 3.26Å; K643-K653 WeakPolarHBondContact CD-O 3.39Å; K643-K653 HydrophobicContact CG-CB 4.23Å; T646-K653 HydrophobicContact CG2-CB 4.3Å; T646-K653 HydrophobicContact CG2-CD 3.75Å; T646-K653 HydrophobicContact CG2-CG 3.68Å; G651-K653 WeakPolarHBondContact O-CG 3.48Å; G651-K653 PolarHBondContact O-N 2.89Å
654	F	68	Low	56	Low	40 Å²	40	78 Å²	78	18%	0.175	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	157.6	-170.8	-69.2	-93.7	0	0	0	112.5	K643 Y645 C647 R652 V659 L660 H663	K643-F654 CarbonylContact C-O 3.54Å; K643-F654 WeakPolarHBondContact CA-O 3.26Å; Y645-F654 PolarHBondContact N-O 3.27Å; Y645-F654 PolarHBondContact O-N 3.43Å; C647-F654 HydrophobicContact CB-CD2 4.37Å; C647-F654 HydrophobicContact CB-CE2 4.05Å; R652-F654 HydrophobicContact CB-CE2 3.63Å; R652-F654 HydrophobicContact CB-CZ 4.1Å; R652-F654 WeakPolarHBondContact O-CD2 3.42Å; R652-F654 WeakPolarHBondContact O-CE2 3.31Å; F654-V659 HydrophobicContact CD1-CG1 3.96Å; F654-V659 HydrophobicContact CE1-CG1 4.32Å; F654-L660 HydrophobicContact CB-CB 4.14Å; F654-L660 HydrophobicContact CD2-CD1 3.75Å; F654-L660 HydrophobicContact CE2-CD1 4.29Å; F654-L660 HydrophobicContact CG-CB 4.36Å; F654-L660 HydrophobicContact CG-CD1 4.37Å; F654-H663 HydrophobicContact CE1-CB 4.28Å; F654-H663 HydrophobicContact CE2-CB 4.49Å; F654-H663 AromaticContact CE2-CD2 3.11Å; F654-H663 WeakPolarHBondContact CE2-CD2 3.42Å; F654-H663 AromaticContact CE2-CG 3.96Å; F654-H663 AromaticContact CE2-NE2 3.58Å; F654-H663 HydrophobicContact CZ-CB 4.04Å; F654-H663 AromaticContact CZ-CD2 3.08Å; F654-H663 WeakPolarHBondContact CZ-CD2 3.47Å; F654-H663 AromaticContact CZ-CG 3.53Å; F654-H663 AromaticContact CZ-NE2 3.44Å; F654-H663 WeakPolarHBondContact CZ-NE2 3.35Å
655	F	53.5	Low	56.4	Low	133 Å²	133	77.4 Å²	77.4	58%	0.583	37%	0.372	S	S	*	.	S	Bend	trans	-94.3	-17.3	-178.6	-171.6	-106.3	0	0	0	113.7	D642	D642-F655 HydrophobicContact CB-CE2 4.21Å
656	R	59.7	Low	56.8	Low	139 Å²	139	74.9 Å²	74.9	53%	0.525	37%	0.366	S	S	.	.			trans	-133.1	137.7	179.6	-68.1	-169.9	66.9	112.1	0.7	111.1	D658 V659 L660	R656-D658 IonicContact CZ-OD2 2.71Å; R656-D658 IonicContact NE-OD2 3.8Å; R656-D658 PolarHBondContact NE-OD2 3.28Å; R656-D658 IonicContact NH2-OD2 3.51Å; R656-D658 PolarHBondContact NH2-OD2 3.23Å; R656-D658 PolarHBondContact O-N 3.48Å; R656-V659 HydrophobicContact CB-CB 4.27Å; R656-V659 HydrophobicContact CB-CG2 4.04Å; R656-V659 PolarHBondContact O-N 2.91Å; R656-L660 WeakPolarHBondContact O-CB 3.44Å; R656-L660 PolarHBondContact O-N 2.85Å
657	V	48.8	Very low	57	Low	43 Å²	43	73 Å²	73	26%	0.261	35%	0.353	S	S	.	.	H	α-helix	trans	-55.1	-40.2	170.1	-178.7	0	0	0	0	111.1	Y645 L660 R661	Y645-V657 HydrophobicContact CD1-CG2 3.87Å; Y645-V657 HydrophobicContact CD2-CG2 4.15Å; Y645-V657 HydrophobicContact CE1-CG2 3.41Å; Y645-V657 VanDerWaalsContact CE1-CG2 3.41Å; Y645-V657 HydrophobicContact CE2-CG2 3.69Å; Y645-V657 HydrophobicContact CG-CG2 4.21Å; V657-L660 CarbonylContact O-C 3.58Å; V657-L660 PolarHBondContact O-N 2.82Å; V657-R661 WeakPolarHBondContact O-CB 3.23Å; V657-R661 PolarHBondContact O-N 2.82Å
658	D	46.1	Very low	56.4	Low	56 Å²	56	79.4 Å²	79.4	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-46.5	-175.5	-30.5	-61.1	0	0	0	110.8	R656 L660 R661 D662	R656-D658 IonicContact CZ-OD2 2.71Å; R656-D658 IonicContact NE-OD2 3.8Å; R656-D658 PolarHBondContact NE-OD2 3.28Å; R656-D658 IonicContact NH2-OD2 3.51Å; R656-D658 PolarHBondContact NH2-OD2 3.23Å; R656-D658 PolarHBondContact O-N 3.48Å; D658-L660 VanDerWaalsContact C-N 3.32Å; D658-L660 PolarHBondContact O-N 3.39Å; D658-R661 WeakPolarHBondContact O-CB 3.45Å; D658-R661 PolarHBondContact O-N 3.08Å; D658-R661 VanDerWaalsContact O-N 3.1Å; D658-D662 PolarHBondContact O-N 3.32Å
659	V	57	Low	56.4	Low	72 Å²	72	74.8 Å²	74.8	44%	0.436	36%	0.358	S	S	.	.	H	α-helix	trans	-68.8	-31.6	175.9	-176.2	0	0	0	0	111.5	F654 R656 H663	F654-V659 HydrophobicContact CD1-CG1 3.96Å; F654-V659 HydrophobicContact CE1-CG1 4.32Å; R656-V659 HydrophobicContact CB-CB 4.27Å; R656-V659 HydrophobicContact CB-CG2 4.04Å; R656-V659 PolarHBondContact O-N 2.91Å; V659-H663 VanDerWaalsContact O-CB 3.29Å; V659-H663 WeakPolarHBondContact O-CB 3.28Å; V659-H663 PolarHBondContact O-N 3.34Å; V659-H663 VanDerWaalsContact O-N 3.08Å
660	L	67.1	Low	55.7	Low	17 Å²	17	75.1 Å²	75.1	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-42.7	169.1	175.1	61.8	0	0	0	111	T646 C647 F654 R656 V657 D658 H663 I664	T646-L660 WeakPolarHBondContact O-CD2 3.15Å; C647-L660 HydrophobicContact CB-CD1 3.52Å; F654-L660 HydrophobicContact CB-CB 4.14Å; F654-L660 HydrophobicContact CD2-CD1 3.75Å; F654-L660 HydrophobicContact CE2-CD1 4.29Å; F654-L660 HydrophobicContact CG-CB 4.36Å; F654-L660 HydrophobicContact CG-CD1 4.37Å; R656-L660 WeakPolarHBondContact O-CB 3.44Å; R656-L660 PolarHBondContact O-N 2.85Å; V657-L660 CarbonylContact O-C 3.58Å; V657-L660 PolarHBondContact O-N 2.82Å; D658-L660 VanDerWaalsContact C-N 3.32Å; D658-L660 PolarHBondContact O-N 3.39Å; L660-H663 CarbonylContact O-C 3.52Å; L660-H663 WeakPolarHBondContact O-CB 3.5Å; L660-H663 PolarHBondContact O-N 2.95Å; L660-H663 VanDerWaalsContact O-N 3.13Å; L660-I664 HydrophobicContact CD1-CD1 3.74Å; L660-I664 HydrophobicContact CD1-CG1 3.85Å; L660-I664 HydrophobicContact CD2-CD1 4.1Å; L660-I664 HydrophobicContact CG-CD1 3.69Å; L660-I664 HydrophobicContact CG-CG1 4.19Å; L660-I664 WeakPolarHBondContact O-CB 2.98Å; L660-I664 WeakPolarHBondContact O-CG1 3.15Å; L660-I664 PolarHBondContact O-N 3.28Å
661	R	57.9	Low	55.4	Low	130 Å²	130	75 Å²	75	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-62.9	-46.7	178.8	-159.4	-159.3	-46.7	-98.8	0.6	110.6	V657 D658 H663 I664 H665	V657-R661 WeakPolarHBondContact O-CB 3.23Å; V657-R661 PolarHBondContact O-N 2.82Å; D658-R661 WeakPolarHBondContact O-CB 3.45Å; D658-R661 PolarHBondContact O-N 3.08Å; D658-R661 VanDerWaalsContact O-N 3.1Å; R661-H663 PolarHBondContact O-N 3.03Å; R661-I664 PolarHBondContact O-N 3.45Å; R661-H665 WeakPolarHBondContact O-CB 3.29Å; R661-H665 VanDerWaalsContact O-CG 3.22Å; R661-H665 PolarHBondContact O-N 3.38Å; R661-H665 PolarHBondContact O-ND1 2.95Å
662	D	56.5	Low	55.6	Low	99 Å²	99	75.8 Å²	75.8	53%	0.529	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-25.5	175	-60.5	-22.6	0	0	0	112.5	D658 V666	D658-D662 PolarHBondContact O-N 3.32Å; D662-V666 WeakPolarHBondContact O-CG2 3.24Å
663	H	66.1	Low	55.4	Low	16 Å²	16	73.4 Å²	73.4	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-84.3	-38.8	173.9	-178.3	53	0	0	0	113.1	C650 F654 V659 L660 R661 V666 H667	C650-H663 PolarHBondContact SG-NE2 3.12Å; F654-H663 HydrophobicContact CE1-CB 4.28Å; F654-H663 HydrophobicContact CE2-CB 4.49Å; F654-H663 AromaticContact CE2-CD2 3.11Å; F654-H663 WeakPolarHBondContact CE2-CD2 3.42Å; F654-H663 AromaticContact CE2-CG 3.96Å; F654-H663 AromaticContact CE2-NE2 3.58Å; F654-H663 HydrophobicContact CZ-CB 4.04Å; F654-H663 AromaticContact CZ-CD2 3.08Å; F654-H663 WeakPolarHBondContact CZ-CD2 3.47Å; F654-H663 AromaticContact CZ-CG 3.53Å; F654-H663 AromaticContact CZ-NE2 3.44Å; F654-H663 WeakPolarHBondContact CZ-NE2 3.35Å; V659-H663 VanDerWaalsContact O-CB 3.29Å; V659-H663 WeakPolarHBondContact O-CB 3.28Å; V659-H663 PolarHBondContact O-N 3.34Å; V659-H663 VanDerWaalsContact O-N 3.08Å; L660-H663 CarbonylContact O-C 3.52Å; L660-H663 WeakPolarHBondContact O-CB 3.5Å; L660-H663 PolarHBondContact O-N 2.95Å; L660-H663 VanDerWaalsContact O-N 3.13Å; R661-H663 PolarHBondContact O-N 3.03Å; H663-V666 WeakPolarHBondContact O-CA 3.47Å; H663-V666 WeakPolarHBondContact O-CB 3.31Å; H663-V666 PolarHBondContact O-N 3.17Å; H663-V666 VanDerWaalsContact O-N 3.09Å; H663-H667 AromaticContact CD2-CD2 3.85Å; H663-H667 AromaticContact CD2-NE2 3.57Å; H663-H667 AromaticContact CE1-CD2 3.79Å; H663-H667 AromaticContact CE1-CE1 3.87Å; H663-H667 AromaticContact CE1-NE2 3.03Å; H663-H667 PolarHBondContact CE1-NE2 3.16Å; H663-H667 AromaticContact ND1-NE2 3.7Å; H663-H667 AromaticContact NE2-CD2 3.71Å; H663-H667 AromaticContact NE2-NE2 2.95Å; H663-H667 PolarHBondContact NE2-NE2 2.99Å; H663-H667 PolarHBondContact O-CD2 3.27Å; H663-H667 PolarHBondContact O-N 3.11Å
664	I	59.4	Low	54.5	Low	41 Å²	41	70.9 Å²	70.9	21%	0.21	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-38.9	173.5	-76.1	175.9	0	0	0	110.2	I649 L660 R661 V666 H667 F668	I649-I664 HydrophobicContact CD1-CG2 4.42Å; L660-I664 HydrophobicContact CD1-CD1 3.74Å; L660-I664 HydrophobicContact CD1-CG1 3.85Å; L660-I664 HydrophobicContact CD2-CD1 4.1Å; L660-I664 HydrophobicContact CG-CD1 3.69Å; L660-I664 HydrophobicContact CG-CG1 4.19Å; L660-I664 WeakPolarHBondContact O-CB 2.98Å; L660-I664 WeakPolarHBondContact O-CG1 3.15Å; L660-I664 PolarHBondContact O-N 3.28Å; R661-I664 PolarHBondContact O-N 3.45Å; I664-V666 PolarHBondContact O-N 3.3Å; I664-H667 PolarHBondContact O-N 3.31Å; I664-H667 VanDerWaalsContact O-N 3.16Å; I664-F668 HydrophobicContact CG2-CD2 3.54Å; I664-F668 HydrophobicContact CG2-CE2 3.41Å; I664-F668 VanDerWaalsContact CG2-CE2 3.41Å; I664-F668 WeakPolarHBondContact O-CD2 3.26Å; I664-F668 PolarHBondContact O-N 2.93Å
665	H	61.8	Low	53.6	Low	109 Å²	109	75 Å²	75	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-22.1	170.7	-68.5	148	0	0	0	113.7	R661 K669	R661-H665 WeakPolarHBondContact O-CB 3.29Å; R661-H665 VanDerWaalsContact O-CG 3.22Å; R661-H665 PolarHBondContact O-N 3.38Å; R661-H665 PolarHBondContact O-ND1 2.95Å; H665-K669 WeakPolarHBondContact O-CB 3.09Å; H665-K669 PolarHBondContact O-N 3.3Å
666	V	63.8	Low	53.6	Low	32 Å²	32	75.1 Å²	75.1	19%	0.194	37%	0.374	C	S	.	.	H	α-helix	trans	-77.8	-44.6	170.4	165.5	0	0	0	0	109.7	D662 H663 I664 F668 K669 D670	D662-V666 WeakPolarHBondContact O-CG2 3.24Å; H663-V666 WeakPolarHBondContact O-CA 3.47Å; H663-V666 WeakPolarHBondContact O-CB 3.31Å; H663-V666 PolarHBondContact O-N 3.17Å; H663-V666 VanDerWaalsContact O-N 3.09Å; I664-V666 PolarHBondContact O-N 3.3Å; V666-F668 PolarHBondContact O-N 2.82Å; V666-K669 CarbonylContact O-C 3.56Å; V666-K669 WeakPolarHBondContact O-CA 3.35Å; V666-K669 VanDerWaalsContact O-CB 3.32Å; V666-K669 WeakPolarHBondContact O-CB 3.48Å; V666-K669 PolarHBondContact O-N 3.32Å; V666-D670 VanDerWaalsContact CG1-OD2 3.26Å; V666-D670 WeakPolarHBondContact CG1-OD2 3.23Å; V666-D670 PolarHBondContact O-N 3.09Å
667	H	55.8	Low	53.1	Low	21 Å²	21	75.1 Å²	75.1	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-42.1	172.1	-72.6	-64.4	0	0	0	114.4	C647 I649 C650 H663 I664 K669 D670 I671	C647-H667 PolarHBondContact SG-CD2 3.25Å; I649-H667 HydrophobicContact CB-CB 4.12Å; I649-H667 HydrophobicContact CD1-CB 3.55Å; I649-H667 HydrophobicContact CG1-CB 4.43Å; I649-H667 HydrophobicContact CG2-CB 3.8Å; C650-H667 PolarHBondContact SG-CE1 3.42Å; C650-H667 PolarHBondContact SG-NE2 2.82Å; H663-H667 AromaticContact CD2-CD2 3.85Å; H663-H667 AromaticContact CD2-NE2 3.57Å; H663-H667 AromaticContact CE1-CD2 3.79Å; H663-H667 AromaticContact CE1-CE1 3.87Å; H663-H667 AromaticContact CE1-NE2 3.03Å; H663-H667 PolarHBondContact CE1-NE2 3.16Å; H663-H667 AromaticContact ND1-NE2 3.7Å; H663-H667 AromaticContact NE2-CD2 3.71Å; H663-H667 AromaticContact NE2-NE2 2.95Å; H663-H667 PolarHBondContact NE2-NE2 2.99Å; H663-H667 PolarHBondContact O-CD2 3.27Å; H663-H667 PolarHBondContact O-N 3.11Å; I664-H667 PolarHBondContact O-N 3.31Å; I664-H667 VanDerWaalsContact O-N 3.16Å; H667-K669 PolarHBondContact O-N 2.9Å; H667-D670 PolarHBondContact O-N 3.08Å; H667-D670 VanDerWaalsContact O-N 3.11Å; H667-I671 WeakPolarHBondContact O-CB 3.29Å; H667-I671 VanDerWaalsContact O-CG1 3.29Å; H667-I671 WeakPolarHBondContact O-CG1 3.26Å; H667-I671 PolarHBondContact O-N 3.23Å
668	F	47.3	Very low	53.2	Low	133 Å²	133	78.1 Å²	78.1	58%	0.583	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-20.2	172.9	-83.3	-62.8	0	0	0	113	I664 V666 A672	I664-F668 HydrophobicContact CG2-CD2 3.54Å; I664-F668 HydrophobicContact CG2-CE2 3.41Å; I664-F668 VanDerWaalsContact CG2-CE2 3.41Å; I664-F668 WeakPolarHBondContact O-CD2 3.26Å; I664-F668 PolarHBondContact O-N 2.93Å; V666-F668 PolarHBondContact O-N 2.82Å; F668-A672 WeakPolarHBondContact O-CB 3.25Å
669	K	50.3	Low	53.5	Low	78 Å²	78	78.9 Å²	78.9	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-89.8	-29.3	173.5	-168.1	167.9	-175	169.2	0	112.7	H665 V666 H667 L673 L726	H665-K669 WeakPolarHBondContact O-CB 3.09Å; H665-K669 PolarHBondContact O-N 3.3Å; V666-K669 CarbonylContact O-C 3.56Å; V666-K669 WeakPolarHBondContact O-CA 3.35Å; V666-K669 VanDerWaalsContact O-CB 3.32Å; V666-K669 WeakPolarHBondContact O-CB 3.48Å; V666-K669 PolarHBondContact O-N 3.32Å; H667-K669 PolarHBondContact O-N 2.9Å; K669-L673 WeakPolarHBondContact O-CD1 3.08Å; K669-L673 VanDerWaalsContact O-CG 3.31Å; K669-L673 WeakPolarHBondContact O-CG 3.27Å; K669-L726 VanDerWaalsContact NZ-CD2 3.33Å
670	D	42.2	Very low	53.4	Low	51 Å²	51	81 Å²	81	27%	0.273	39%	0.394	S	S	.	.	H	α-helix	trans	-79.1	-39.6	176.4	-59.5	-31.8	0	0	0	110.9	V666 H667 A672 L673 M674	V666-D670 VanDerWaalsContact CG1-OD2 3.26Å; V666-D670 WeakPolarHBondContact CG1-OD2 3.23Å; V666-D670 PolarHBondContact O-N 3.09Å; H667-D670 PolarHBondContact O-N 3.08Å; H667-D670 VanDerWaalsContact O-N 3.11Å; D670-A672 PolarHBondContact O-N 3.09Å; D670-L673 CarbonylContact O-C 3.58Å; D670-L673 WeakPolarHBondContact O-CA 3.47Å; D670-L673 WeakPolarHBondContact O-CB 3.44Å; D670-L673 PolarHBondContact O-N 3.11Å; D670-M674 PolarHBondContact O-N 2.82Å
671	I	47.8	Very low	52.6	Low	41 Å²	41	84.6 Å²	84.6	21%	0.21	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-60.8	-33.4	171	-68.2	163.6	0	0	0	111.7	I649 H667 L673 R679	I649-I671 HydrophobicContact CD1-CD1 4.26Å; I649-I671 HydrophobicContact CG2-CD1 3.94Å; H667-I671 WeakPolarHBondContact O-CB 3.29Å; H667-I671 VanDerWaalsContact O-CG1 3.29Å; H667-I671 WeakPolarHBondContact O-CG1 3.26Å; H667-I671 PolarHBondContact O-N 3.23Å; I671-L673 PolarHBondContact O-N 3.17Å; I671-R679 PolarHBondContact O-NE 2.95Å; I671-R679 PolarHBondContact O-NH2 2.8Å
672	A	48	Very low	52	Low	66 Å²	66	82 Å²	82	55%	0.545	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-73.6	1.6	173.9	0	0	0	0	0	113.5	F668 D670	F668-A672 WeakPolarHBondContact O-CB 3.25Å; D670-A672 PolarHBondContact O-N 3.09Å
673	L	51.3	Low	52	Low	101 Å²	101	80.6 Å²	80.6	53%	0.529	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-128.9	6.8	180	-65.3	171.7	0	0	0	112.9	K669 D670 I671	K669-L673 WeakPolarHBondContact O-CD1 3.08Å; K669-L673 VanDerWaalsContact O-CG 3.31Å; K669-L673 WeakPolarHBondContact O-CG 3.27Å; D670-L673 CarbonylContact O-C 3.58Å; D670-L673 WeakPolarHBondContact O-CA 3.47Å; D670-L673 WeakPolarHBondContact O-CB 3.44Å; D670-L673 PolarHBondContact O-N 3.11Å; I671-L673 PolarHBondContact O-N 3.17Å
674	M	36.3	Very low	51.1	Low	71 Å²	71	87.7 Å²	87.7	35%	0.35	43%	0.429	S	S	.	.	S	Bend	trans	-87.7	145.7	167.2	-61.4	-171.7	72.8	0	0	109.8	D670 E678 R679	D670-M674 PolarHBondContact O-N 2.82Å; M674-E678 HydrophobicContact CB-CB 4.46Å; M674-E678 HydrophobicContact CE-CB 3.88Å; M674-E678 WeakPolarHBondContact CE-OE2 3.11Å; M674-R679 PolarHBondContact O-NH2 3.29Å; M674-R679 VanDerWaalsContact O-NH2 3.15Å
675	D	48.3	Very low	50.3	Low	127 Å²	127	94.3 Å²	94.3	68%	0.679	46%	0.456	S	S	*	.			trans	-61.7	152.2	177.1	-81.1	-35.8	0	0	0	111.2	Q677 E678 R679	D675-Q677 PolarHBondContact O-N 3.28Å; D675-E678 PolarHBondContact O-N 3.09Å; D675-R679 PolarHBondContact O-N 2.99Å
676	E	54.9	Low	49.4	Very low	135 Å²	135	94.1 Å²	94.1	63%	0.631	46%	0.457	S	S	*	.	H	α-helix	trans	-53.7	-43.5	-172.9	-135.7	100.5	-105.9	0	0	111.5	E678 R679 E680	E676-E678 PolarHBondContact O-N 3.19Å; E676-R679 WeakPolarHBondContact O-CB 3.2Å; E676-R679 PolarHBondContact O-N 3.36Å; E676-R679 IonicContact OE1-CZ 3.28Å; E676-R679 IonicContact OE1-NH1 3.21Å; E676-R679 PolarHBondContact OE1-NH1 2.87Å; E676-E680 PolarHBondContact O-N 3.45Å
677	Q	48.7	Very low	47.9	Very low	139 Å²	139	95.7 Å²	95.7	65%	0.65	48%	0.481	S	S	*	.	H	α-helix	trans	-63.7	-39.8	179.4	-157.4	72.1	77.9	0	0	113.2	D675 R679 E680 D681	D675-Q677 PolarHBondContact O-N 3.28Å; Q677-R679 VanDerWaalsContact C-N 3.33Å; Q677-E680 PolarHBondContact O-N 2.94Å; Q677-D681 PolarHBondContact O-N 2.81Å
678	E	50	Low	46.9	Very low	105 Å²	105	100.3 Å²	100.3	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-70.6	-32.6	176.4	-61.1	-166.5	128	0	0	111.4	M674 D675 E676 F682	M674-E678 HydrophobicContact CB-CB 4.46Å; M674-E678 HydrophobicContact CE-CB 3.88Å; M674-E678 WeakPolarHBondContact CE-OE2 3.11Å; D675-E678 PolarHBondContact O-N 3.09Å; E676-E678 PolarHBondContact O-N 3.19Å; E678-F682 VanDerWaalsContact O-CB 3.3Å; E678-F682 WeakPolarHBondContact O-CB 3.32Å; E678-F682 PolarHBondContact O-N 3.18Å
679	R	53.2	Low	46	Very low	73 Å²	73	99 Å²	99	28%	0.275	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-42.9	174.9	-169.2	-173	-60	130.9	12.2	111.2	I671 M674 D675 E676 Q677 F682 I683	I671-R679 PolarHBondContact O-NE 2.95Å; I671-R679 PolarHBondContact O-NH2 2.8Å; M674-R679 PolarHBondContact O-NH2 3.29Å; M674-R679 VanDerWaalsContact O-NH2 3.15Å; D675-R679 PolarHBondContact O-N 2.99Å; E676-R679 WeakPolarHBondContact O-CB 3.2Å; E676-R679 PolarHBondContact O-N 3.36Å; E676-R679 IonicContact OE1-CZ 3.28Å; E676-R679 IonicContact OE1-NH1 3.21Å; E676-R679 PolarHBondContact OE1-NH1 2.87Å; Q677-R679 VanDerWaalsContact C-N 3.33Å; R679-F682 WeakPolarHBondContact O-CB 3.34Å; R679-F682 PolarHBondContact O-N 2.82Å; R679-I683 HydrophobicContact CG-CD1 4.08Å; R679-I683 VanDerWaalsContact O-CG1 3.31Å; R679-I683 WeakPolarHBondContact O-CG1 3.2Å; R679-I683 PolarHBondContact O-N 2.89Å
680	E	54.3	Low	46	Very low	115 Å²	115	100.5 Å²	100.5	54%	0.537	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-46.1	175.4	-72.7	-162.9	156.4	0	0	111.9	E676 Q677 F682 I683 K684	E676-E680 PolarHBondContact O-N 3.45Å; Q677-E680 PolarHBondContact O-N 2.94Å; E680-F682 PolarHBondContact O-N 3.1Å; E680-I683 PolarHBondContact O-N 3.45Å; E680-I683 VanDerWaalsContact O-N 3.09Å; E680-K684 WeakPolarHBondContact O-CB 3.34Å; E680-K684 PolarHBondContact O-N 3.4Å
681	D	50.4	Low	45.6	Very low	93 Å²	93	105.1 Å²	105.1	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-31.6	176.2	-117.8	17.8	0	0	0	111.7	Q677 K685	Q677-D681 PolarHBondContact O-N 2.81Å; D681-K685 WeakPolarHBondContact O-CB 3.29Å; D681-K685 PolarHBondContact O-N 2.93Å; D681-K685 VanDerWaalsContact O-N 3.09Å
682	F	46.8	Very low	44.8	Very low	75 Å²	75	111 Å²	111	33%	0.329	59%	0.586	S	S	.	*	H	α-helix	trans	-69	-40.6	172.1	-170.1	-102.9	0	0	0	112.8	I649 E678 R679 E680 K685 I686	I649-F682 HydrophobicContact CG2-CZ 4.21Å; E678-F682 VanDerWaalsContact O-CB 3.3Å; E678-F682 WeakPolarHBondContact O-CB 3.32Å; E678-F682 PolarHBondContact O-N 3.18Å; R679-F682 WeakPolarHBondContact O-CB 3.34Å; R679-F682 PolarHBondContact O-N 2.82Å; E680-F682 PolarHBondContact O-N 3.1Å; F682-K685 PolarHBondContact O-N 3.4Å; F682-I686 HydrophobicContact CD1-CD1 3.76Å; F682-I686 HydrophobicContact CE1-CD1 3.42Å; F682-I686 VanDerWaalsContact CE1-CD1 3.42Å; F682-I686 HydrophobicContact CG-CD1 4.45Å; F682-I686 HydrophobicContact CZ-CD1 3.85Å; F682-I686 WeakPolarHBondContact O-CG1 3.48Å; F682-I686 PolarHBondContact O-N 2.8Å
683	I	54.6	Low	44.4	Very low	71 Å²	71	112.7 Å²	112.7	36%	0.364	59%	0.594	S	S	.	*	H	α-helix	trans	-68.1	-46.9	176.6	-70	164.4	0	0	0	111	R679 E680 K685 I686 G687 I688	R679-I683 HydrophobicContact CG-CD1 4.08Å; R679-I683 VanDerWaalsContact O-CG1 3.31Å; R679-I683 WeakPolarHBondContact O-CG1 3.2Å; R679-I683 PolarHBondContact O-N 2.89Å; E680-I683 PolarHBondContact O-N 3.45Å; E680-I683 VanDerWaalsContact O-N 3.09Å; I683-K685 PolarHBondContact O-N 3.22Å; I683-I686 CarbonylContact O-C 3.3Å; I683-I686 WeakPolarHBondContact O-CA 3.45Å; I683-I686 WeakPolarHBondContact O-CB 3.07Å; I683-I686 PolarHBondContact O-N 3.5Å; I683-G687 PolarHBondContact O-N 2.85Å; I683-G687 VanDerWaalsContact O-N 3.09Å; I683-I688 HydrophobicContact CG2-CB 4.42Å
684	K	47.6	Very low	43.5	Very low	164 Å²	164	114.5 Å²	114.5	71%	0.713	60%	0.604	S	S	*	*	H	α-helix	trans	-57	-35.8	175.8	-166.7	172.1	-170.4	169.3	0	111.9	E680 G687	E680-K684 WeakPolarHBondContact O-CB 3.34Å; E680-K684 PolarHBondContact O-N 3.4Å; K684-G687 PolarHBondContact O-N 3.13Å
685	K	43	Very low	43.6	Very low	181 Å²	181	118.3 Å²	118.3	79%	0.787	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-8.4	176.6	-159.7	172	-142.3	148.9	0	114.3	D681 F682 I683	D681-K685 WeakPolarHBondContact O-CB 3.29Å; D681-K685 PolarHBondContact O-N 2.93Å; D681-K685 VanDerWaalsContact O-N 3.09Å; F682-K685 PolarHBondContact O-N 3.4Å; I683-K685 PolarHBondContact O-N 3.22Å
686	I	42.6	Very low	42.9	Very low	104 Å²	104	117.7 Å²	117.7	53%	0.533	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.6	-14.3	169.7	-73.9	170.8	0	0	0	111.6	F682 I683 I688	F682-I686 HydrophobicContact CD1-CD1 3.76Å; F682-I686 HydrophobicContact CE1-CD1 3.42Å; F682-I686 VanDerWaalsContact CE1-CD1 3.42Å; F682-I686 HydrophobicContact CG-CD1 4.45Å; F682-I686 HydrophobicContact CZ-CD1 3.85Å; F682-I686 WeakPolarHBondContact O-CG1 3.48Å; F682-I686 PolarHBondContact O-N 2.8Å; I683-I686 CarbonylContact O-C 3.3Å; I683-I686 WeakPolarHBondContact O-CA 3.45Å; I683-I686 WeakPolarHBondContact O-CB 3.07Å; I683-I686 PolarHBondContact O-N 3.5Å; I686-I688 HydrophobicContact CG2-CD1 4.37Å; I686-I688 HydrophobicContact CG2-CG1 4.43Å
687	G	33.6	Very low	41.9	Very low	66 Å²	66	118.6 Å²	118.6	68%	0.68	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.2	28.3	170.2	0	0	0	0	0	114.8	I683 K684	I683-G687 PolarHBondContact O-N 2.85Å; I683-G687 VanDerWaalsContact O-N 3.09Å; K684-G687 PolarHBondContact O-N 3.13Å
688	I	33.6	Very low	41.7	Very low	118 Å²	118	119.8 Å²	119.8	61%	0.605	64%	0.637	S	S	*	*			trans	-102.5	108.8	168.9	-57	174.2	0	0	0	106.9	I683 I686	I683-I688 HydrophobicContact CG2-CB 4.42Å; I686-I688 HydrophobicContact CG2-CD1 4.37Å; I686-I688 HydrophobicContact CG2-CG1 4.43Å
689	S	28.3	Very low	41.3	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	65%	0.652	S	S	*	*			trans	-84.7	128.1	177	-154.4	0	0	0	0	109.9
690	P	51.8	Low	40.6	Very low	108 Å²	108	127.2 Å²	127.2	70%	0.701	68%	0.68	S	S	*	*			trans	-94.4	110	164.5	33.2	-24.3	0	0	0	109.3
691	D	32.6	Very low	40.3	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	70%	0.697	S	S	*	*			trans	-160.8	166.3	161.9	-114.1	-36	0	0	0	109.5
692	D	32.1	Very low	39.9	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	72%	0.719	S	S	*	*			trans	72.8	78.3	-164.1	-59.8	-17.3	0	0	0	113.3
693	S	38.4	Very low	39.6	Very low	101 Å²	101	138 Å²	138	71%	0.706	74%	0.739	S	S	*	*			trans	-82.6	-168.8	165.9	56.9	0	0	0	0	112.3
694	D	32	Very low	38.7	Very low	140 Å²	140	142 Å²	142	75%	0.749	76%	0.761	S	S	*	*			trans	97.8	138	163.6	-58.7	16.4	0	0	0	116.2
695	E	38.2	Very low	38.9	Very low	150 Å²	150	138.5 Å²	138.5	70%	0.701	76%	0.755	S	S	*	*			cis	-170.9	160.5	-26.6	-115.4	-52.1	162.5	0	0	105.1
696	T	34.7	Very low	38.9	Very low	114 Å²	114	136.6 Å²	136.6	70%	0.699	75%	0.753	S	S	*	*			trans	59.2	157.4	170.2	43.8	0	0	0	0	117
697	D	34.1	Very low	39.2	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	76%	0.756	S	S	*	*			cis	-128.2	177.9	6.6	-94.9	-48.3	0	0	0	112.3
698	E	43.5	Very low	40.1	Very low	163 Å²	163	139.2 Å²	139.2	76%	0.762	75%	0.745	S	S	*	*			trans	-80.8	177.1	-169.4	-69.7	-76	-170.5	0	0	117
699	E	43.3	Very low	41.2	Very low	171 Å²	171	139.9 Å²	139.9	80%	0.799	74%	0.744	S	S	*	*			trans	59.8	117.6	156.1	-72.4	159.7	-147.6	0	0	117.6
700	D	38.2	Very low	42.6	Very low	164 Å²	164	140 Å²	140	88%	0.877	73%	0.729	S	S	*	*				-156.3	158.5	72.5	-100.5	-38.8	0	0	0	113.2
701	E	48.3	Very low	42.9	Very low	192 Å²	192	138.8 Å²	138.8	90%	0.897	72%	0.716	S	S	*	*			trans	-96.2	137.7	178	-64.2	-172.4	130.7	0	0	113.6
702	D	41.3	Very low	44.3	Very low	177 Å²	177	131.8 Å²	131.8	95%	0.947	68%	0.679	S	S	*	*			trans	-158.3	134.8	143.7	-127.1	-23.2	0	0	0	110.2
703	D	40.6	Very low	45.2	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	68%	0.677	S	S	*	*			trans	-118.8	140	-160.5	-154.7	-10.6	0	0	0	113.2
704	D	35.9	Very low	45.9	Very low	156 Å²	156	135.1 Å²	135.1	83%	0.834	67%	0.673	S	S	*	*			trans	-137.7	106.7	163.8	-174.8	32.3	0	0	0	111	D706	D704-D706 PolarHBondContact O-N 3.09Å
705	P	51.5	Low	47.3	Very low	89 Å²	89	130.6 Å²	130.6	58%	0.578	65%	0.651	S	S	*	*			trans	-106.9	75.8	-151.8	39.8	-38.9	0	0	0	116.5
706	D	42.9	Very low	48.4	Very low	141 Å²	141	130.6 Å²	130.6	75%	0.754	65%	0.652	S	S	*	*			trans	-127	69.1	169	-168.5	20.8	0	0	0	115.8	D704	D704-D706 PolarHBondContact O-N 3.09Å
707	H	49.1	Very low	50	Low	129 Å²	129	129.6 Å²	129.6	60%	0.597	64%	0.642	S	S	*	*			trans	-130.8	20.7	166.5	-104	58.1	0	0	0	115.6	K709	H707-K709 VanDerWaalsContact C-N 3.34Å; H707-K709 PolarHBondContact CD2-NZ 3.23Å; H707-K709 VanDerWaalsContact CD2-NZ 3.29Å; H707-K709 PolarHBondContact CE1-NZ 3.01Å; H707-K709 PolarHBondContact NE2-NZ 2.81Å; H707-K709 PolarHBondContact O-N 3.05Å
708	H	52.2	Low	51.3	Low	96 Å²	96	124.8 Å²	124.8	44%	0.444	62%	0.62	S	S	.	*			trans	-77.4	69.6	-177.9	-76.8	110.5	0	0	0	114.4	Y710	H708-Y710 PolarHBondContact O-N 2.95Å
709	K	55.8	Low	52.7	Low	133 Å²	133	119 Å²	119	58%	0.578	59%	0.592	S	S	*	*			trans	-78.1	-10.1	-170.8	-77	163.5	179.1	162.7	0	116.5	H707	H707-K709 VanDerWaalsContact C-N 3.34Å; H707-K709 PolarHBondContact CD2-NZ 3.23Å; H707-K709 VanDerWaalsContact CD2-NZ 3.29Å; H707-K709 PolarHBondContact CE1-NZ 3.01Å; H707-K709 PolarHBondContact NE2-NZ 2.81Å; H707-K709 PolarHBondContact O-N 3.05Å
710	Y	57.7	Low	53.1	Low	109 Å²	109	113.5 Å²	113.5	43%	0.427	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.9	125.2	-178.9	-57.8	-84.7	0	0	0	111.3	H708 F719 Y725	H708-Y710 PolarHBondContact O-N 2.95Å; Y710-F719 PolarHBondContact N-O 2.73Å; Y710-F719 PolarHBondContact O-N 3.35Å; Y710-Y725 HydrophobicContact CD1-CD1 4.43Å; Y710-Y725 HydrophobicContact CG-CG 4.48Å
711	N	57.9	Low	53.9	Low	81 Å²	81	111.7 Å²	111.7	43%	0.433	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	128.7	-171.9	-134.4	-31.9	0	0	0	112.1	K713 Q716 L717 S718	N711-K713 PolarHBondContact O-N 3.41Å; N711-Q716 PolarHBondContact OD1-O 2.99Å; N711-L717 VanDerWaalsContact OD1-C 3.29Å; N711-L717 PolarHBondContact OD1-O 3.28Å; N711-L717 VanDerWaalsContact OD1-O 3.09Å; N711-S718 PolarHBondContact OD1-N 2.92Å
712	C	61.7	Low	54.3	Low	2 Å²	2	103.9 Å²	103.9	1%	0.014	53%	0.531	C	S	.	.			trans	-77	97.3	-172.9	171.2	0	0	0	0	111.8	K714 C715 Q716 L717 F719 H728 H733	C712-K714 PolarHBondContact O-N 3.39Å; C712-C715 HydrophobicContact CB-CB 4.38Å; C712-C715 WeakPolarHBondContact CB-SG 3.33Å; C712-C715 PolarHBondContact O-N 2.85Å; C712-C715 WeakPolarHBondContact SG-CB 3.23Å; C712-C715 PolarHBondContact SG-N 2.89Å; C712-C715 CovalentContact SG-SG 2.04Å; C712-C715 PolarHBondContact SG-SG 3.26Å; C712-Q716 VanDerWaalsContact O-CA 3.29Å; C712-Q716 WeakPolarHBondContact O-CA 3.15Å; C712-Q716 PolarHBondContact O-N 3.26Å; C712-L717 HydrophobicContact CB-CB 4.27Å; C712-L717 VanDerWaalsContact CB-O 3.28Å; C712-L717 WeakPolarHBondContact CB-O 3.3Å; C712-L717 PolarHBondContact N-O 3.2Å; C712-F719 HydrophobicContact CB-CE2 4.22Å; C712-H728 PolarHBondContact SG-NE2 3.16Å; C712-H728 VanDerWaalsContact SG-NE2 3.45Å; C712-H733 PolarHBondContact SG-NE2 3.23Å; C712-H733 VanDerWaalsContact SG-NE2 3.41Å
713	K	53	Low	54.9	Low	196 Å²	196	103.8 Å²	103.8	85%	0.852	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-8.3	-176.5	-63.6	-164.9	175.8	-167.2	0	116.5	N711	N711-K713 PolarHBondContact O-N 3.41Å
714	K	51.1	Low	55.8	Low	139 Å²	139	99.5 Å²	99.5	60%	0.604	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-22.4	175.7	-86.5	178.9	168.9	-179.2	0	113.7	C712 H733 E735	C712-K714 PolarHBondContact O-N 3.39Å; K714-H733 WeakPolarHBondContact CB-NE2 3.44Å; K714-E735 IonicContact NZ-OE1 3.34Å; K714-E735 PolarHBondContact NZ-OE1 2.89Å
715	C	62.4	Low	57.5	Low	45 Å²	45	94.8 Å²	94.8	30%	0.304	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-1.9	-169.9	73	0	0	0	0	114.2	C712 L717 H728	C712-C715 HydrophobicContact CB-CB 4.38Å; C712-C715 WeakPolarHBondContact CB-SG 3.33Å; C712-C715 PolarHBondContact O-N 2.85Å; C712-C715 WeakPolarHBondContact SG-CB 3.23Å; C712-C715 PolarHBondContact SG-N 2.89Å; C712-C715 CovalentContact SG-SG 2.04Å; C712-C715 PolarHBondContact SG-SG 3.26Å; C715-L717 PolarHBondContact O-N 3.3Å; C715-H728 VanDerWaalsContact SG-CE1 3.59Å; C715-H728 PolarHBondContact SG-NE2 3.09Å
716	Q	61.7	Low	58	Low	151 Å²	151	93.1 Å²	93.1	71%	0.706	45%	0.452	S	S	*	.			trans	58.1	9.3	-179.9	-59.4	-77.6	85	0	0	116.1	N711 C712	N711-Q716 PolarHBondContact OD1-O 2.99Å; C712-Q716 VanDerWaalsContact O-CA 3.29Å; C712-Q716 WeakPolarHBondContact O-CA 3.15Å; C712-Q716 PolarHBondContact O-N 3.26Å
717	L	66.9	Low	59.3	Low	93 Å²	93	92.1 Å²	92.1	49%	0.487	44%	0.441	S	S	.	.			trans	-71.9	132.5	175.1	-64.8	175.5	0	0	0	112.4	N711 C712 C715 F719	N711-L717 VanDerWaalsContact OD1-C 3.29Å; N711-L717 PolarHBondContact OD1-O 3.28Å; N711-L717 VanDerWaalsContact OD1-O 3.09Å; C712-L717 HydrophobicContact CB-CB 4.27Å; C712-L717 VanDerWaalsContact CB-O 3.28Å; C712-L717 WeakPolarHBondContact CB-O 3.3Å; C712-L717 PolarHBondContact N-O 3.2Å; C715-L717 PolarHBondContact O-N 3.3Å; L717-F719 HydrophobicContact CB-CE2 3.64Å; L717-F719 HydrophobicContact CB-CZ 3.81Å; L717-F719 HydrophobicContact CD1-CZ 4.35Å; L717-F719 WeakPolarHBondContact O-CD2 3.32Å; L717-F719 VanDerWaalsContact O-CE2 3.27Å; L717-F719 WeakPolarHBondContact O-CE2 3.15Å
718	S	61.8	Low	60.4	Low	54 Å²	54	87 Å²	87	38%	0.378	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.5	178.3	49.6	0	0	0	0	112.2	N711	N711-S718 PolarHBondContact OD1-N 2.92Å
719	F	73.6	Confident	61.2	Low	40 Å²	40	84 Å²	84	18%	0.175	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.6	-177.8	-58.1	-93.4	0	0	0	109.9	Y710 C712 L717 K721 D724 Y725 H728	Y710-F719 PolarHBondContact N-O 2.73Å; Y710-F719 PolarHBondContact O-N 3.35Å; C712-F719 HydrophobicContact CB-CE2 4.22Å; L717-F719 HydrophobicContact CB-CE2 3.64Å; L717-F719 HydrophobicContact CB-CZ 3.81Å; L717-F719 HydrophobicContact CD1-CZ 4.35Å; L717-F719 WeakPolarHBondContact O-CD2 3.32Å; L717-F719 VanDerWaalsContact O-CE2 3.27Å; L717-F719 WeakPolarHBondContact O-CE2 3.15Å; F719-K721 VanDerWaalsContact C-N 3.32Å; F719-K721 PolarHBondContact O-N 3.13Å; F719-D724 HydrophobicContact CD1-CB 4.26Å; F719-Y725 AromaticContact CD2-CD2 3.84Å; F719-Y725 HydrophobicContact CD2-CD2 3.84Å; F719-Y725 HydrophobicContact CD2-CG 4.5Å; F719-Y725 HydrophobicContact CE2-CD2 4.33Å; F719-H728 HydrophobicContact CE1-CB 3.88Å; F719-H728 HydrophobicContact CE2-CB 4.3Å; F719-H728 AromaticContact CE2-CG 3.99Å; F719-H728 HydrophobicContact CZ-CB 3.6Å; F719-H728 AromaticContact CZ-CD2 3.88Å; F719-H728 AromaticContact CZ-CG 3.36Å; F719-H728 AromaticContact CZ-ND1 3.64Å
720	A	51	Low	61.4	Low	57 Å²	57	82.5 Å²	82.5	47%	0.471	40%	0.4	S	S	.	.	S	Bend	trans	-66.5	-34	176.7	0	0	0	0	0	112.6
721	K	56.1	Low	61.7	Low	126 Å²	126	82.2 Å²	82.2	55%	0.548	40%	0.403	S	S	.	.	S	Bend	trans	-114.9	126.5	-174.3	-70.6	165.4	-173.6	165.7	0	110.6	F719 R723 D724 Y725	F719-K721 VanDerWaalsContact C-N 3.32Å; F719-K721 PolarHBondContact O-N 3.13Å; K721-R723 HydrophobicContact CB-CG 4.38Å; K721-R723 PolarHBondContact O-N 2.79Å; K721-R723 VanDerWaalsContact O-N 3.13Å; K721-D724 WeakPolarHBondContact CB-OD2 3.35Å; K721-D724 PolarHBondContact O-N 3.09Å; K721-D724 VanDerWaalsContact O-N 3.1Å; K721-Y725 PolarHBondContact O-N 3.13Å
722	G	55.1	Low	61.5	Low	27 Å²	27	84.6 Å²	84.6	28%	0.278	41%	0.411	S	S	.	.	H	α-helix	trans	-66.4	-13.9	-175.6	0	0	0	0	0	115.4	L726	G722-L726 PolarHBondContact O-N 3.4Å
723	R	55.6	Low	61.5	Low	175 Å²	175	86.9 Å²	86.9	66%	0.66	42%	0.422	S	S	*	.	H	α-helix	trans	-69.5	-42.6	171.7	76.5	-173.6	-173.9	169	9.2	111	K721 L726 K727	K721-R723 HydrophobicContact CB-CG 4.38Å; K721-R723 PolarHBondContact O-N 2.79Å; K721-R723 VanDerWaalsContact O-N 3.13Å; R723-L726 WeakPolarHBondContact O-CB 3.49Å; R723-L726 PolarHBondContact O-N 3.12Å; R723-L726 VanDerWaalsContact O-N 3.1Å; R723-K727 PolarHBondContact O-N 3.02Å
724	D	59.3	Low	61.6	Low	50 Å²	50	85.7 Å²	85.7	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-78.2	-34.9	-172.2	-54.2	-61.5	0	0	0	110	F719 K721 L726 K727 H728	F719-D724 HydrophobicContact CD1-CB 4.26Å; K721-D724 WeakPolarHBondContact CB-OD2 3.35Å; K721-D724 PolarHBondContact O-N 3.09Å; K721-D724 VanDerWaalsContact O-N 3.1Å; D724-L726 VanDerWaalsContact C-N 3.28Å; D724-L726 PolarHBondContact O-N 3.5Å; D724-K727 PolarHBondContact O-N 3.08Å; D724-H728 VanDerWaalsContact O-CB 3.23Å; D724-H728 WeakPolarHBondContact O-CB 3.42Å; D724-H728 PolarHBondContact O-N 3.36Å
725	Y	72	Confident	61.7	Low	57 Å²	57	84.1 Å²	84.1	22%	0.224	41%	0.411	C	S	.	.	H	α-helix	trans	-54.7	-40.2	163.2	175.8	-105.4	0	0	0	113.2	Y710 F719 K721 I729	Y710-Y725 HydrophobicContact CD1-CD1 4.43Å; Y710-Y725 HydrophobicContact CG-CG 4.48Å; F719-Y725 AromaticContact CD2-CD2 3.84Å; F719-Y725 HydrophobicContact CD2-CD2 3.84Å; F719-Y725 HydrophobicContact CD2-CG 4.5Å; F719-Y725 HydrophobicContact CE2-CD2 4.33Å; K721-Y725 PolarHBondContact O-N 3.13Å; Y725-I729 HydrophobicContact CD1-CD1 4.21Å; Y725-I729 HydrophobicContact CD2-CD1 4.43Å; Y725-I729 HydrophobicContact CE1-CD1 3.64Å; Y725-I729 HydrophobicContact CE2-CD1 3.9Å; Y725-I729 VanDerWaalsContact CZ-CD1 3.47Å; Y725-I729 WeakPolarHBondContact O-CG1 3.31Å; Y725-I729 PolarHBondContact O-N 2.69Å; Y725-I729 VanDerWaalsContact O-N 3.1Å
726	L	60.7	Low	61.3	Low	54 Å²	54	90.8 Å²	90.8	28%	0.283	44%	0.435	S	S	.	.	H	α-helix	trans	-75	-43.6	-179.8	-131	76	0	0	0	112	K669 G722 R723 D724 H728 I729 M730	K669-L726 VanDerWaalsContact NZ-CD2 3.33Å; G722-L726 PolarHBondContact O-N 3.4Å; R723-L726 WeakPolarHBondContact O-CB 3.49Å; R723-L726 PolarHBondContact O-N 3.12Å; R723-L726 VanDerWaalsContact O-N 3.1Å; D724-L726 VanDerWaalsContact C-N 3.28Å; D724-L726 PolarHBondContact O-N 3.5Å; L726-H728 VanDerWaalsContact C-N 3.33Å; L726-H728 PolarHBondContact O-N 2.95Å; L726-I729 PolarHBondContact O-N 3.44Å; L726-M730 WeakPolarHBondContact O-CG 3.2Å; L726-M730 PolarHBondContact O-N 2.8Å
727	K	70	Confident	61.3	Low	120 Å²	120	85.6 Å²	85.6	52%	0.522	42%	0.422	S	S	.	.	H	α-helix	trans	-55.1	-50	172.3	-176.6	175.5	-179.4	-179.7	0	110.2	R723 D724 I729 M730 E731	R723-K727 PolarHBondContact O-N 3.02Å; D724-K727 PolarHBondContact O-N 3.08Å; K727-I729 PolarHBondContact O-N 3.11Å; K727-M730 PolarHBondContact O-N 2.6Å; K727-M730 VanDerWaalsContact O-N 3.13Å; K727-E731 VanDerWaalsContact CE-CD 3.48Å; K727-E731 WeakPolarHBondContact CE-OE1 3.44Å; K727-E731 WeakPolarHBondContact CE-OE2 3.49Å; K727-E731 VanDerWaalsContact CG-CD 3.49Å; K727-E731 HydrophobicContact CG-CG 4.39Å; K727-E731 WeakPolarHBondContact CG-OE1 3.32Å; K727-E731 WeakPolarHBondContact CG-OE2 3.29Å; K727-E731 IonicContact NZ-OE1 3.68Å; K727-E731 WeakPolarHBondContact O-CB 3.3Å; K727-E731 WeakPolarHBondContact O-CG 3.33Å; K727-E731 PolarHBondContact O-N 2.93Å
728	H	73.8	Confident	61.3	Low	21 Å²	21	83.8 Å²	83.8	10%	0.097	41%	0.411	C	S	.	.	H	α-helix	trans	-54	-49.4	174.6	172.4	82.5	0	0	0	113	C712 C715 F719 D724 L726 M730 E731 Q732 H733	C712-H728 PolarHBondContact SG-NE2 3.16Å; C712-H728 VanDerWaalsContact SG-NE2 3.45Å; C715-H728 VanDerWaalsContact SG-CE1 3.59Å; C715-H728 PolarHBondContact SG-NE2 3.09Å; F719-H728 HydrophobicContact CE1-CB 3.88Å; F719-H728 HydrophobicContact CE2-CB 4.3Å; F719-H728 AromaticContact CE2-CG 3.99Å; F719-H728 HydrophobicContact CZ-CB 3.6Å; F719-H728 AromaticContact CZ-CD2 3.88Å; F719-H728 AromaticContact CZ-CG 3.36Å; F719-H728 AromaticContact CZ-ND1 3.64Å; D724-H728 VanDerWaalsContact O-CB 3.23Å; D724-H728 WeakPolarHBondContact O-CB 3.42Å; D724-H728 PolarHBondContact O-N 3.36Å; L726-H728 VanDerWaalsContact C-N 3.33Å; L726-H728 PolarHBondContact O-N 2.95Å; H728-M730 VanDerWaalsContact C-N 3.32Å; H728-M730 PolarHBondContact O-N 2.91Å; H728-E731 PolarHBondContact O-N 3.36Å; H728-Q732 WeakPolarHBondContact O-CA 3.47Å; H728-Q732 VanDerWaalsContact O-CB 3.27Å; H728-Q732 WeakPolarHBondContact O-CB 3.3Å; H728-Q732 PolarHBondContact O-N 3.14Å; H728-H733 AromaticContact NE2-NE2 3.88Å
729	I	68.4	Low	60.9	Low	35 Å²	35	83.9 Å²	83.9	18%	0.179	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-37.4	178.4	-73.5	176	0	0	0	111.9	Y725 L726 K727 H733 K734 E735	Y725-I729 HydrophobicContact CD1-CD1 4.21Å; Y725-I729 HydrophobicContact CD2-CD1 4.43Å; Y725-I729 HydrophobicContact CE1-CD1 3.64Å; Y725-I729 HydrophobicContact CE2-CD1 3.9Å; Y725-I729 VanDerWaalsContact CZ-CD1 3.47Å; Y725-I729 WeakPolarHBondContact O-CG1 3.31Å; Y725-I729 PolarHBondContact O-N 2.69Å; Y725-I729 VanDerWaalsContact O-N 3.1Å; L726-I729 PolarHBondContact O-N 3.44Å; K727-I729 PolarHBondContact O-N 3.11Å; I729-H733 CarbonylContact O-C 3.52Å; I729-H733 WeakPolarHBondContact O-CA 3.46Å; I729-H733 WeakPolarHBondContact O-CB 3.43Å; I729-H733 PolarHBondContact O-N 3.37Å; I729-K734 PolarHBondContact O-N 2.98Å; I729-E735 HydrophobicContact CG2-CB 4.19Å
730	M	59	Low	60.7	Low	101 Å²	101	82 Å²	82	50%	0.498	40%	0.404	S	S	.	.	H	α-helix	trans	-70	-38.7	179.3	-72.9	171.8	53.8	0	0	112.4	L726 K727 H728 K734	L726-M730 WeakPolarHBondContact O-CG 3.2Å; L726-M730 PolarHBondContact O-N 2.8Å; K727-M730 PolarHBondContact O-N 2.6Å; K727-M730 VanDerWaalsContact O-N 3.13Å; H728-M730 VanDerWaalsContact C-N 3.32Å; H728-M730 PolarHBondContact O-N 2.91Å; M730-K734 WeakPolarHBondContact O-CA 3.4Å; M730-K734 PolarHBondContact O-N 3.45Å
731	E	63.9	Low	61.2	Low	102 Å²	102	83.6 Å²	83.6	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-84.9	-53.6	-177.8	-68.1	171.3	171.3	0	0	112.4	K727 H728	K727-E731 VanDerWaalsContact CE-CD 3.48Å; K727-E731 WeakPolarHBondContact CE-OE1 3.44Å; K727-E731 WeakPolarHBondContact CE-OE2 3.49Å; K727-E731 VanDerWaalsContact CG-CD 3.49Å; K727-E731 HydrophobicContact CG-CG 4.39Å; K727-E731 WeakPolarHBondContact CG-OE1 3.32Å; K727-E731 WeakPolarHBondContact CG-OE2 3.29Å; K727-E731 IonicContact NZ-OE1 3.68Å; K727-E731 WeakPolarHBondContact O-CB 3.3Å; K727-E731 WeakPolarHBondContact O-CG 3.33Å; K727-E731 PolarHBondContact O-N 2.93Å; H728-E731 PolarHBondContact O-N 3.36Å
732	Q	55.1	Low	61.6	Low	131 Å²	131	80.5 Å²	80.5	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-86.6	-18.6	-171.5	-57.5	-61.6	-28.4	0	0	113.7	H728	H728-Q732 WeakPolarHBondContact O-CA 3.47Å; H728-Q732 VanDerWaalsContact O-CB 3.27Å; H728-Q732 WeakPolarHBondContact O-CB 3.3Å; H728-Q732 PolarHBondContact O-N 3.14Å
733	H	61.6	Low	62.1	Low	50 Å²	50	82 Å²	82	23%	0.231	41%	0.411	C	S	.	.	S	Bend	trans	-117.8	-5.6	176	-63	-18.8	0	0	0	114	C712 K714 H728 I729 E735	C712-H733 PolarHBondContact SG-NE2 3.23Å; C712-H733 VanDerWaalsContact SG-NE2 3.41Å; K714-H733 WeakPolarHBondContact CB-NE2 3.44Å; H728-H733 AromaticContact NE2-NE2 3.88Å; I729-H733 CarbonylContact O-C 3.52Å; I729-H733 WeakPolarHBondContact O-CA 3.46Å; I729-H733 WeakPolarHBondContact O-CB 3.43Å; I729-H733 PolarHBondContact O-N 3.37Å; H733-E735 HydrophobicContact CB-CG 4.47Å; H733-E735 PolarHBondContact O-N 3.39Å
734	K	53.6	Low	62.2	Low	171 Å²	171	79.4 Å²	79.4	74%	0.743	41%	0.41	S	S	*	.			trans	51.4	25.6	176.3	-63.5	-176.2	176.9	177.4	0	114.2	I729 M730 K736	I729-K734 PolarHBondContact O-N 2.98Å; M730-K734 WeakPolarHBondContact O-CA 3.4Å; M730-K734 PolarHBondContact O-N 3.45Å; K734-K736 VanDerWaalsContact C-N 3.35Å; K734-K736 PolarHBondContact O-N 3.35Å
735	E	54	Low	62	Low	107 Å²	107	81.3 Å²	81.3	50%	0.5	41%	0.414	S	S	.	.			trans	-76	86.2	177.4	-73.9	-168.7	-159.7	0	0	110	K714 I729 H733 G737	K714-E735 IonicContact NZ-OE1 3.34Å; K714-E735 PolarHBondContact NZ-OE1 2.89Å; I729-E735 HydrophobicContact CG2-CB 4.19Å; H733-E735 HydrophobicContact CB-CG 4.47Å; H733-E735 PolarHBondContact O-N 3.39Å; E735-G737 PolarHBondContact O-N 3.02Å; E735-G737 VanDerWaalsContact O-N 3.1Å
736	K	54.1	Low	61.5	Low	184 Å²	184	83 Å²	83	80%	0.8	42%	0.423	S	S	*	.			trans	-55.3	116.4	-179.8	-67	-170.5	176.9	-172.8	0	111.1	K734 H738	K734-K736 VanDerWaalsContact C-N 3.35Å; K734-K736 PolarHBondContact O-N 3.35Å; K736-H738 PolarHBondContact O-ND1 2.92Å
737	G	61.3	Low	62	Low	42 Å²	42	81.8 Å²	81.8	43%	0.433	42%	0.416	S	S	.	.			trans	-54.5	143.8	170.7	0	0	0	0	0	110.9	E735	E735-G737 PolarHBondContact O-N 3.02Å; E735-G737 VanDerWaalsContact O-N 3.1Å
738	H	67.6	Low	61.4	Low	56 Å²	56	79.3 Å²	79.3	26%	0.259	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.2	-172.8	-69.6	33.7	0	0	0	109.9	K736 F747 K750 Y753	K736-H738 PolarHBondContact O-ND1 2.92Å; H738-F747 PolarHBondContact N-O 3.2Å; H738-F747 WeakPolarHBondContact O-CB 3.27Å; H738-F747 PolarHBondContact O-N 3.41Å; H738-K750 WeakPolarHBondContact NE2-CD 3.48Å; H738-K750 WeakPolarHBondContact NE2-CG 3.33Å; H738-Y753 HydrophobicContact CB-CD1 3.75Å; H738-Y753 HydrophobicContact CB-CD2 4.1Å; H738-Y753 HydrophobicContact CB-CE1 4.37Å; H738-Y753 HydrophobicContact CB-CG 3.58Å; H738-Y753 AromaticContact CD2-CD1 3.79Å
739	S	53.6	Low	60.6	Low	56 Å²	56	83.6 Å²	83.6	39%	0.392	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.1	179.9	54.7	0	0	0	0	112	R745 Y753	S739-R745 WeakPolarHBondContact CA-O 3.49Å; S739-Y753 VanDerWaalsContact C-CE2 3.49Å; S739-Y753 WeakPolarHBondContact O-CE2 3.33Å; S739-Y753 PolarHBondContact O-OH 3.33Å
740	C	69.1	Low	60.3	Low	0 Å²	0	87.5 Å²	87.5	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.1	174.3	-177.5	0	0	0	0	111.5	I742 C743 N744 R745 Y753 H756 L757	C740-I742 PolarHBondContact O-N 3.32Å; C740-C743 PolarHBondContact O-N 3.3Å; C740-C743 VanDerWaalsContact O-N 3.11Å; C740-N744 WeakPolarHBondContact O-CA 3.39Å; C740-N744 PolarHBondContact O-N 2.82Å; C740-R745 PolarHBondContact N-O 3.27Å; C740-Y753 HydrophobicContact CB-CE2 3.89Å; C740-H756 VanDerWaalsContact CB-NE2 3.28Å; C740-H756 WeakPolarHBondContact CB-NE2 3.39Å; C740-H756 PolarHBondContact SG-NE2 2.75Å; C740-H756 VanDerWaalsContact SG-NE2 3.45Å; C740-L757 HydrophobicContact CB-CD2 4.43Å
741	A	61	Low	60.1	Low	90 Å²	90	86.1 Å²	86.1	74%	0.744	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.7	178	0	0	0	0	0	115.5
742	I	65.3	Low	60.2	Low	61 Å²	61	84.4 Å²	84.4	31%	0.313	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-17	-179.2	-54.7	172.9	0	0	0	112	C740 H760 Q763 L764	C740-I742 PolarHBondContact O-N 3.32Å; I742-H760 HydrophobicContact CB-CB 4.32Å; I742-H760 HydrophobicContact CD1-CB 3.81Å; I742-H760 HydrophobicContact CG2-CB 4.15Å; I742-H760 VanDerWaalsContact CG2-ND1 3.3Å; I742-H760 WeakPolarHBondContact CG2-ND1 3.44Å; I742-Q763 HydrophobicContact CD1-CB 4.13Å; I742-Q763 HydrophobicContact CG2-CB 4.24Å; I742-L764 HydrophobicContact CD1-CD2 3.56Å; I742-L764 HydrophobicContact CD1-CG 3.67Å
743	C	65.3	Low	60.9	Low	58 Å²	58	80.4 Å²	80.4	39%	0.392	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.8	14	174.3	77.1	0	0	0	0	115.2	C740 R745 H756	C740-C743 PolarHBondContact O-N 3.3Å; C740-C743 VanDerWaalsContact O-N 3.11Å; C743-R745 PolarHBondContact O-N 2.87Å; C743-H756 PolarHBondContact SG-CE1 3.2Å; C743-H756 PolarHBondContact SG-NE2 2.91Å
744	N	57.9	Low	61.1	Low	121 Å²	121	78.8 Å²	78.8	65%	0.647	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	25.6	-179.4	-62.6	-11.5	0	0	0	116	C740 H746	C740-N744 WeakPolarHBondContact O-CA 3.39Å; C740-N744 PolarHBondContact O-N 2.82Å; N744-H746 PolarHBondContact O-CE1 2.9Å; N744-H746 PolarHBondContact O-ND1 2.78Å
745	R	55.7	Low	61.7	Low	90 Å²	90	72.2 Å²	72.2	34%	0.34	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.3	-178.4	-171.4	171.1	178	143.3	-4.7	111.9	S739 C740 C743 F747	S739-R745 WeakPolarHBondContact CA-O 3.49Å; C740-R745 PolarHBondContact N-O 3.27Å; C743-R745 PolarHBondContact O-N 2.87Å; R745-F747 HydrophobicContact CB-CE2 3.89Å; R745-F747 HydrophobicContact CB-CZ 4.35Å; R745-F747 HydrophobicContact CG-CE2 3.7Å; R745-F747 HydrophobicContact CG-CZ 3.78Å; R745-F747 VanDerWaalsContact O-CD2 3.31Å; R745-F747 WeakPolarHBondContact O-CD2 3.49Å; R745-F747 VanDerWaalsContact O-CE2 3.31Å; R745-F747 WeakPolarHBondContact O-CE2 3.22Å
746	H	60.7	Low	62.5	Low	93 Å²	93	68.1 Å²	68.1	43%	0.431	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.4	-175.2	-66.7	89.6	0	0	0	113.1	N744	N744-H746 PolarHBondContact O-CE1 2.9Å; N744-H746 PolarHBondContact O-ND1 2.78Å
747	F	71.8	Confident	63.2	Low	29 Å²	29	59.7 Å²	59.7	13%	0.127	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.8	-179.6	-63.7	-93.7	0	0	0	111.1	H738 R745 L749 Y753 H756	H738-F747 PolarHBondContact N-O 3.2Å; H738-F747 WeakPolarHBondContact O-CB 3.27Å; H738-F747 PolarHBondContact O-N 3.41Å; R745-F747 HydrophobicContact CB-CE2 3.89Å; R745-F747 HydrophobicContact CB-CZ 4.35Å; R745-F747 HydrophobicContact CG-CE2 3.7Å; R745-F747 HydrophobicContact CG-CZ 3.78Å; R745-F747 VanDerWaalsContact O-CD2 3.31Å; R745-F747 WeakPolarHBondContact O-CD2 3.49Å; R745-F747 VanDerWaalsContact O-CE2 3.31Å; R745-F747 WeakPolarHBondContact O-CE2 3.22Å; F747-L749 PolarHBondContact O-N 3.07Å; F747-Y753 AromaticContact CD2-CD2 3.87Å; F747-Y753 HydrophobicContact CD2-CD2 3.87Å; F747-Y753 HydrophobicContact CE2-CD2 4.46Å; F747-Y753 HydrophobicContact CG-CD2 4.5Å; F747-H756 HydrophobicContact CE1-CB 3.76Å; F747-H756 HydrophobicContact CE2-CB 4.02Å; F747-H756 AromaticContact CE2-CD2 3.16Å; F747-H756 WeakPolarHBondContact CE2-CD2 3.27Å; F747-H756 AromaticContact CE2-CG 3.63Å; F747-H756 AromaticContact CE2-NE2 3.79Å; F747-H756 HydrophobicContact CZ-CB 3.4Å; F747-H756 VanDerWaalsContact CZ-CB 3.4Å; F747-H756 AromaticContact CZ-CD2 3.31Å; F747-H756 WeakPolarHBondContact CZ-CD2 3.39Å; F747-H756 AromaticContact CZ-CG 3.22Å; F747-H756 AromaticContact CZ-ND1 3.89Å; F747-H756 AromaticContact CZ-NE2 3.99Å
748	A	56.5	Low	63.5	Low	67 Å²	67	59.2 Å²	59.2	55%	0.554	34%	0.341	S	S	*	.	S	Bend	trans	-73.3	-6.6	178.5	0	0	0	0	0	114
749	L	57.6	Low	63.4	Low	112 Å²	112	62.6 Å²	62.6	59%	0.586	36%	0.36	S	S	*	.	S	Bend	trans	-141.5	134.7	-177.8	-65	173.1	0	0	0	110.7	F747 A751 T752 Y753	F747-L749 PolarHBondContact O-N 3.07Å; L749-A751 PolarHBondContact O-N 3.18Å; L749-A751 VanDerWaalsContact O-N 3.16Å; L749-T752 PolarHBondContact O-N 3.46Å; L749-T752 VanDerWaalsContact O-N 3.09Å; L749-T752 PolarHBondContact O-OG1 2.69Å; L749-Y753 PolarHBondContact O-N 2.88Å
750	K	62.1	Low	63.9	Low	117 Å²	117	61.2 Å²	61.2	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-54.9	-33.7	174.7	-168.7	161.9	-160.6	154.1	0	113.1	H738 N754	H738-K750 WeakPolarHBondContact NE2-CD 3.48Å; H738-K750 WeakPolarHBondContact NE2-CG 3.33Å; K750-N754 WeakPolarHBondContact O-CB 3.43Å; K750-N754 PolarHBondContact O-N 2.76Å; K750-N754 PolarHBondContact O-OD1 3.1Å; K750-N754 VanDerWaalsContact O-OD1 3.14Å
751	A	55.2	Low	63.6	Low	72 Å²	72	68.4 Å²	68.4	60%	0.595	37%	0.374	S	S	*	.	H	α-helix	trans	-67.8	-37.4	178.3	0	0	0	0	0	113.6	L749 A755	L749-A751 PolarHBondContact O-N 3.18Å; L749-A751 VanDerWaalsContact O-N 3.16Å; A751-A755 WeakPolarHBondContact O-CB 3.46Å; A751-A755 PolarHBondContact O-N 2.74Å
752	T	64.6	Low	63.4	Low	66 Å²	66	72 Å²	72	41%	0.405	38%	0.376	S	S	.	.	H	α-helix	trans	-80.5	-32.9	177.5	54.7	0	0	0	0	111.5	L749 H756	L749-T752 PolarHBondContact O-N 3.46Å; L749-T752 VanDerWaalsContact O-N 3.09Å; L749-T752 PolarHBondContact O-OG1 2.69Å; T752-H756 WeakPolarHBondContact O-CB 3.41Å; T752-H756 PolarHBondContact O-N 3.45Å
753	Y	70.3	Confident	63	Low	46 Å²	46	74.3 Å²	74.3	18%	0.18	39%	0.385	C	S	.	.	H	α-helix	trans	-56.7	-56.6	168	177.3	-122.4	0	0	0	112.3	H738 S739 C740 F747 L749 A755 H756 L757	H738-Y753 HydrophobicContact CB-CD1 3.75Å; H738-Y753 HydrophobicContact CB-CD2 4.1Å; H738-Y753 HydrophobicContact CB-CE1 4.37Å; H738-Y753 HydrophobicContact CB-CG 3.58Å; H738-Y753 AromaticContact CD2-CD1 3.79Å; S739-Y753 VanDerWaalsContact C-CE2 3.49Å; S739-Y753 WeakPolarHBondContact O-CE2 3.33Å; S739-Y753 PolarHBondContact O-OH 3.33Å; C740-Y753 HydrophobicContact CB-CE2 3.89Å; F747-Y753 AromaticContact CD2-CD2 3.87Å; F747-Y753 HydrophobicContact CD2-CD2 3.87Å; F747-Y753 HydrophobicContact CE2-CD2 4.46Å; F747-Y753 HydrophobicContact CG-CD2 4.5Å; L749-Y753 PolarHBondContact O-N 2.88Å; Y753-A755 VanDerWaalsContact C-N 3.28Å; Y753-A755 PolarHBondContact O-N 3.13Å; Y753-H756 WeakPolarHBondContact O-CA 3.45Å; Y753-H756 WeakPolarHBondContact O-CB 3.44Å; Y753-H756 PolarHBondContact O-N 3.38Å; Y753-L757 HydrophobicContact CD1-CD1 4.26Å; Y753-L757 HydrophobicContact CD2-CG 4.42Å; Y753-L757 HydrophobicContact CE1-CD1 3.68Å; Y753-L757 HydrophobicContact CE1-CG 4.27Å; Y753-L757 HydrophobicContact CE2-CD1 4.24Å; Y753-L757 HydrophobicContact CE2-CD2 3.8Å; Y753-L757 HydrophobicContact CE2-CG 3.96Å; Y753-L757 PolarHBondContact O-N 2.94Å
754	N	66.6	Low	62.5	Low	17 Å²	17	74 Å²	74	9%	0.091	38%	0.379	C	S	.	.	H	α-helix	trans	-62.1	-36.6	-178.6	-66.6	6.4	0	0	0	111.9	K750 H756 L757 Y772	K750-N754 WeakPolarHBondContact O-CB 3.43Å; K750-N754 PolarHBondContact O-N 2.76Å; K750-N754 PolarHBondContact O-OD1 3.1Å; K750-N754 VanDerWaalsContact O-OD1 3.14Å; N754-H756 VanDerWaalsContact C-N 3.27Å; N754-H756 PolarHBondContact O-N 3.29Å; N754-L757 PolarHBondContact O-N 2.91Å; N754-Y772 HydrophobicContact CB-CD1 4.41Å; N754-Y772 HydrophobicContact CB-CD2 4.46Å; N754-Y772 HydrophobicContact CB-CG 4.11Å; N754-Y772 VanDerWaalsContact ND2-CD1 3.32Å; N754-Y772 WeakPolarHBondContact ND2-CD1 3.44Å; N754-Y772 VanDerWaalsContact ND2-CD2 3.3Å; N754-Y772 WeakPolarHBondContact ND2-CD2 3.46Å; N754-Y772 WeakPolarHBondContact ND2-CE1 3.36Å; N754-Y772 WeakPolarHBondContact ND2-CE2 3.34Å; N754-Y772 VanDerWaalsContact ND2-CG 3.34Å
755	A	66.3	Low	62	Low	33 Å²	33	74.4 Å²	74.4	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-26.9	174.2	0	0	0	0	0	113.3	A751 Y753 N784	A751-A755 WeakPolarHBondContact O-CB 3.46Å; A751-A755 PolarHBondContact O-N 2.74Å; Y753-A755 VanDerWaalsContact C-N 3.28Å; Y753-A755 PolarHBondContact O-N 3.13Å; A755-N784 HydrophobicContact CB-CB 3.92Å
756	H	70.2	Confident	61.8	Low	21 Å²	21	74.6 Å²	74.6	10%	0.097	40%	0.396	C	S	.	.	H	α-helix	trans	-80.5	-35.8	173.9	159.7	66.2	0	0	0	112.7	C740 C743 F747 T752 Y753 N754 V758 I759 H760	C740-H756 VanDerWaalsContact CB-NE2 3.28Å; C740-H756 WeakPolarHBondContact CB-NE2 3.39Å; C740-H756 PolarHBondContact SG-NE2 2.75Å; C740-H756 VanDerWaalsContact SG-NE2 3.45Å; C743-H756 PolarHBondContact SG-CE1 3.2Å; C743-H756 PolarHBondContact SG-NE2 2.91Å; F747-H756 HydrophobicContact CE1-CB 3.76Å; F747-H756 HydrophobicContact CE2-CB 4.02Å; F747-H756 AromaticContact CE2-CD2 3.16Å; F747-H756 WeakPolarHBondContact CE2-CD2 3.27Å; F747-H756 AromaticContact CE2-CG 3.63Å; F747-H756 AromaticContact CE2-NE2 3.79Å; F747-H756 HydrophobicContact CZ-CB 3.4Å; F747-H756 VanDerWaalsContact CZ-CB 3.4Å; F747-H756 AromaticContact CZ-CD2 3.31Å; F747-H756 WeakPolarHBondContact CZ-CD2 3.39Å; F747-H756 AromaticContact CZ-CG 3.22Å; F747-H756 AromaticContact CZ-ND1 3.89Å; F747-H756 AromaticContact CZ-NE2 3.99Å; T752-H756 WeakPolarHBondContact O-CB 3.41Å; T752-H756 PolarHBondContact O-N 3.45Å; Y753-H756 WeakPolarHBondContact O-CA 3.45Å; Y753-H756 WeakPolarHBondContact O-CB 3.44Å; Y753-H756 PolarHBondContact O-N 3.38Å; N754-H756 VanDerWaalsContact C-N 3.27Å; N754-H756 PolarHBondContact O-N 3.29Å; H756-V758 PolarHBondContact O-N 3.49Å; H756-V758 VanDerWaalsContact O-N 3.1Å; H756-I759 VanDerWaalsContact O-CB 3.25Å; H756-I759 WeakPolarHBondContact O-CB 3.41Å; H756-I759 WeakPolarHBondContact O-CG1 3.37Å; H756-I759 PolarHBondContact O-N 3.27Å; H756-H760 AromaticContact CE1-CD2 3.65Å; H756-H760 AromaticContact CE1-NE2 3.42Å; H756-H760 PolarHBondContact CE1-NE2 3.09Å; H756-H760 AromaticContact NE2-CD2 3.86Å; H756-H760 AromaticContact NE2-NE2 3.86Å
757	L	68.1	Low	61.6	Low	6 Å²	6	75.4 Å²	75.4	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-57	-26.2	175.8	-70.7	-177.9	0	0	0	113.5	C740 Y753 N754 I759 H760 L764 V769	C740-L757 HydrophobicContact CB-CD2 4.43Å; Y753-L757 HydrophobicContact CD1-CD1 4.26Å; Y753-L757 HydrophobicContact CD2-CG 4.42Å; Y753-L757 HydrophobicContact CE1-CD1 3.68Å; Y753-L757 HydrophobicContact CE1-CG 4.27Å; Y753-L757 HydrophobicContact CE2-CD1 4.24Å; Y753-L757 HydrophobicContact CE2-CD2 3.8Å; Y753-L757 HydrophobicContact CE2-CG 3.96Å; Y753-L757 PolarHBondContact O-N 2.94Å; N754-L757 PolarHBondContact O-N 2.91Å; L757-I759 PolarHBondContact O-N 3.42Å; L757-I759 VanDerWaalsContact O-N 3.08Å; L757-H760 PolarHBondContact O-N 2.79Å; L757-L764 HydrophobicContact CB-CD1 4.5Å; L757-V769 HydrophobicContact CB-CG1 3.92Å; L757-V769 HydrophobicContact CD1-CG1 3.73Å; L757-V769 HydrophobicContact CD1-CG2 3.98Å; L757-V769 HydrophobicContact CG-CG1 4.48Å
758	V	67.5	Low	60.8	Low	32 Å²	32	77 Å²	77	19%	0.194	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-52.6	-27.9	170.9	-179.9	0	0	0	0	112.8	H756 I773 I782	H756-V758 PolarHBondContact O-N 3.49Å; H756-V758 VanDerWaalsContact O-N 3.1Å; V758-I773 HydrophobicContact CG2-CG1 4.45Å; V758-I782 HydrophobicContact CG1-CB 4.03Å; V758-I782 HydrophobicContact CG1-CD1 4.21Å; V758-I782 HydrophobicContact CG1-CG2 3.62Å; V758-I782 HydrophobicContact CG2-CG2 4.43Å
759	I	66.5	Low	60.9	Low	128 Å²	128	74.9 Å²	74.9	66%	0.656	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-72.8	-30	178.5	-57.2	176.7	0	0	0	111.5	H756 L757	H756-I759 VanDerWaalsContact O-CB 3.25Å; H756-I759 WeakPolarHBondContact O-CB 3.41Å; H756-I759 WeakPolarHBondContact O-CG1 3.37Å; H756-I759 PolarHBondContact O-N 3.27Å; L757-I759 PolarHBondContact O-N 3.42Å; L757-I759 VanDerWaalsContact O-N 3.08Å
760	H	63.4	Low	60.8	Low	27 Å²	27	75.3 Å²	75.3	13%	0.125	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-99.7	24.1	-175.9	-65.5	-72.1	0	0	0	113.5	I742 H756 L757 E762 Q763	I742-H760 HydrophobicContact CB-CB 4.32Å; I742-H760 HydrophobicContact CD1-CB 3.81Å; I742-H760 HydrophobicContact CG2-CB 4.15Å; I742-H760 VanDerWaalsContact CG2-ND1 3.3Å; I742-H760 WeakPolarHBondContact CG2-ND1 3.44Å; H756-H760 AromaticContact CE1-CD2 3.65Å; H756-H760 AromaticContact CE1-NE2 3.42Å; H756-H760 PolarHBondContact CE1-NE2 3.09Å; H756-H760 AromaticContact NE2-CD2 3.86Å; H756-H760 AromaticContact NE2-NE2 3.86Å; L757-H760 PolarHBondContact O-N 2.79Å; H760-E762 PolarHBondContact O-N 3.04Å; H760-Q763 PolarHBondContact O-N 3.36Å
761	R	62.5	Low	60.7	Low	151 Å²	151	77.9 Å²	77.9	57%	0.57	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-26.4	-178.5	175.8	175.3	175	-105.4	-1.7	115.1
762	E	58.3	Low	60.9	Low	165 Å²	165	79 Å²	79	77%	0.771	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-2	-175.4	-67.5	171.6	-171.5	0	0	113.6	H760	H760-E762 PolarHBondContact O-N 3.04Å
763	Q	55.6	Low	61.1	Low	110 Å²	110	76.6 Å²	76.6	51%	0.514	39%	0.393	S	S	.	.	S	Bend	trans	-125.5	11.9	-179.7	-66.1	93.6	36.2	0	0	114.5	I742 H760 P765	I742-Q763 HydrophobicContact CD1-CB 4.13Å; I742-Q763 HydrophobicContact CG2-CB 4.24Å; H760-Q763 PolarHBondContact O-N 3.36Å; Q763-P765 WeakPolarHBondContact O-CD 3.24Å
764	L	54.4	Low	61.4	Low	51 Å²	51	76.2 Å²	76.2	27%	0.267	39%	0.392	S	S	.	.			trans	-99.6	115.3	-177.7	-78.5	163.3	0	0	0	111.8	I742 L757 D766 V769	I742-L764 HydrophobicContact CD1-CD2 3.56Å; I742-L764 HydrophobicContact CD1-CG 3.67Å; L757-L764 HydrophobicContact CB-CD1 4.5Å; L764-D766 VanDerWaalsContact C-N 3.33Å; L764-V769 HydrophobicContact CD1-CB 4.3Å; L764-V769 HydrophobicContact CD1-CG1 3.91Å; L764-V769 HydrophobicContact CD1-CG2 4.44Å; L764-V769 HydrophobicContact CD2-CG2 4.28Å
765	P	47.8	Very low	61.7	Low	129 Å²	129	78.4 Å²	78.4	84%	0.838	41%	0.408	S	S	*	.			trans	-80.9	-8.6	177.4	-13	30.3	0	0	0	114.5	Q763	Q763-P765 WeakPolarHBondContact O-CD 3.24Å
766	D	52.1	Low	62.2	Low	94 Å²	94	76.9 Å²	76.9	50%	0.503	40%	0.395	S	S	.	.			trans	-104.5	122.2	-162.5	-170.5	-32.1	0	0	0	112.9	L764 A768 V769	L764-D766 VanDerWaalsContact C-N 3.33Å; D766-A768 PolarHBondContact O-N 3.3Å; D766-A768 WeakPolarHBondContact OD1-CB 3.4Å; D766-A768 PolarHBondContact OD1-N 2.93Å; D766-V769 PolarHBondContact O-N 3.35Å
767	P	56.2	Low	62.4	Low	110 Å²	110	84 Å²	84	71%	0.714	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.5	179.2	27	-35.1	0	0	0	114.6	V769 Q770	P767-V769 VanDerWaalsContact C-N 3.27Å; P767-V769 PolarHBondContact O-N 3.21Å; P767-Q770 WeakPolarHBondContact O-CB 3.37Å; P767-Q770 PolarHBondContact O-N 2.87Å
768	A	55.6	Low	62.5	Low	62 Å²	62	90.4 Å²	90.4	51%	0.512	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.3	-179.5	0	0	0	0	0	113.5	D766	D766-A768 PolarHBondContact O-N 3.3Å; D766-A768 WeakPolarHBondContact OD1-CB 3.4Å; D766-A768 PolarHBondContact OD1-N 2.93Å
769	V	57.3	Low	62.4	Low	23 Å²	23	91.2 Å²	91.2	14%	0.139	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-77	-28.4	-177.9	-174.8	0	0	0	0	112.2	L757 L764 D766 P767 K771 Y772 I773	L757-V769 HydrophobicContact CB-CG1 3.92Å; L757-V769 HydrophobicContact CD1-CG1 3.73Å; L757-V769 HydrophobicContact CD1-CG2 3.98Å; L757-V769 HydrophobicContact CG-CG1 4.48Å; L764-V769 HydrophobicContact CD1-CB 4.3Å; L764-V769 HydrophobicContact CD1-CG1 3.91Å; L764-V769 HydrophobicContact CD1-CG2 4.44Å; L764-V769 HydrophobicContact CD2-CG2 4.28Å; D766-V769 PolarHBondContact O-N 3.35Å; P767-V769 VanDerWaalsContact C-N 3.27Å; P767-V769 PolarHBondContact O-N 3.21Å; V769-K771 PolarHBondContact O-N 3.47Å; V769-Y772 PolarHBondContact O-N 2.81Å; V769-I773 HydrophobicContact CG1-CD1 4.39Å
770	Q	56.4	Low	62.4	Low	122 Å²	122	87.8 Å²	87.8	57%	0.57	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-55.2	-28.9	179.4	-170.8	70.7	-10.2	0	0	112.3	P767 Y772 I773	P767-Q770 WeakPolarHBondContact O-CB 3.37Å; P767-Q770 PolarHBondContact O-N 2.87Å; Q770-Y772 PolarHBondContact O-N 3.21Å; Q770-Y772 VanDerWaalsContact O-N 3.1Å; Q770-I773 PolarHBondContact O-N 3.39Å; Q770-I773 VanDerWaalsContact O-N 3.09Å
771	K	59.8	Low	62.6	Low	170 Å²	170	94.1 Å²	94.1	74%	0.739	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.7	178.5	-163.9	167.1	-175.6	171.5	0	114.7	V769 H774	V769-K771 PolarHBondContact O-N 3.47Å; K771-H774 PolarHBondContact O-CE1 3.03Å
772	Y	59.8	Low	63	Low	95 Å²	95	89.5 Å²	89.5	37%	0.373	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-110	1.6	178	-60.5	-76.4	0	0	0	113.9	N754 V769 Q770	N754-Y772 HydrophobicContact CB-CD1 4.41Å; N754-Y772 HydrophobicContact CB-CD2 4.46Å; N754-Y772 HydrophobicContact CB-CG 4.11Å; N754-Y772 VanDerWaalsContact ND2-CD1 3.32Å; N754-Y772 WeakPolarHBondContact ND2-CD1 3.44Å; N754-Y772 VanDerWaalsContact ND2-CD2 3.3Å; N754-Y772 WeakPolarHBondContact ND2-CD2 3.46Å; N754-Y772 WeakPolarHBondContact ND2-CE1 3.36Å; N754-Y772 WeakPolarHBondContact ND2-CE2 3.34Å; N754-Y772 VanDerWaalsContact ND2-CG 3.34Å; V769-Y772 PolarHBondContact O-N 2.81Å; Q770-Y772 PolarHBondContact O-N 3.21Å; Q770-Y772 VanDerWaalsContact O-N 3.1Å
773	I	68.4	Low	63.9	Low	17 Å²	17	83.8 Å²	83.8	9%	0.087	44%	0.444	C	S	.	.			trans	-103.2	101.9	-177.1	-63	-178.7	0	0	0	107.9	V758 V769 Q770 P775 I782	V758-I773 HydrophobicContact CG2-CG1 4.45Å; V769-I773 HydrophobicContact CG1-CD1 4.39Å; Q770-I773 PolarHBondContact O-N 3.39Å; Q770-I773 VanDerWaalsContact O-N 3.09Å; I773-P775 WeakPolarHBondContact O-CD 3.48Å; I773-I782 HydrophobicContact CB-CG2 4.5Å; I773-I782 HydrophobicContact CG2-CD1 4.37Å; I773-I782 HydrophobicContact CG2-CG2 3.71Å
774	H	76.4	Confident	64.7	Low	37 Å²	37	82.2 Å²	82.2	17%	0.171	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	90.4	-179.5	-54.5	-66.7	0	0	0	110.6	K771 F783 S785 I786 L789	K771-H774 PolarHBondContact O-CE1 3.03Å; H774-F783 WeakPolarHBondContact CB-O 3.15Å; H774-F783 PolarHBondContact N-O 2.84Å; H774-F783 PolarHBondContact O-N 3.34Å; H774-S785 VanDerWaalsContact CD2-CA 3.47Å; H774-S785 WeakPolarHBondContact CD2-CA 3.18Å; H774-I786 PolarHBondContact CD2-N 3.32Å; H774-I786 WeakPolarHBondContact CE1-CG1 3.5Å; H774-L789 HydrophobicContact CB-CB 4.11Å; H774-L789 HydrophobicContact CB-CD2 3.86Å
775	P	73.6	Confident	65.9	Low	64 Å²	64	81.8 Å²	81.8	42%	0.416	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.3	176.3	31.8	-35.1	0	0	0	111.1	I773 R781 L789	I773-P775 WeakPolarHBondContact O-CD 3.48Å; P775-R781 CarbonylContact C-O 3.58Å; P775-L789 WeakPolarHBondContact O-CD2 3.32Å
776	C	76.6	Confident	67.4	Low	1 Å²	1	80.4 Å²	80.4	1%	0.007	43%	0.425	C	S	.	.			trans	-85.4	110.3	168.1	-173.7	0	0	0	0	109.9	M778 C779 G780 R781 F783 L789 H796	C776-M778 PolarHBondContact O-N 3.21Å; C776-M778 VanDerWaalsContact O-N 3.12Å; C776-C779 PolarHBondContact O-N 3.37Å; C776-G780 WeakPolarHBondContact O-CA 3.42Å; C776-G780 PolarHBondContact O-N 3.47Å; C776-R781 PolarHBondContact N-O 3.31Å; C776-F783 HydrophobicContact CB-CE2 4.11Å; C776-L789 HydrophobicContact CB-CD1 3.47Å; C776-L789 VanDerWaalsContact CB-CD1 3.47Å; C776-H796 VanDerWaalsContact SG-CD2 3.54Å; C776-H796 PolarHBondContact SG-NE2 3.48Å
777	E	73.6	Confident	68.7	Low	171 Å²	171	78 Å²	78	80%	0.799	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-34.7	178.1	-68.9	147.4	-147.6	0	0	112.9	C779	E777-C779 PolarHBondContact O-N 2.75Å
778	M	70.9	Confident	69.9	Low	139 Å²	139	75 Å²	75	69%	0.685	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.5	-179.1	-60.1	-60.3	-73	0	0	114.9	C776 H796	C776-M778 PolarHBondContact O-N 3.21Å; C776-M778 VanDerWaalsContact O-N 3.12Å; M778-H796 HydrophobicContact CB-CB 4.09Å; M778-H796 HydrophobicContact CG-CB 4.1Å
779	C	64.9	Low	71.1	Confident	49 Å²	49	72.7 Å²	72.7	33%	0.331	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.4	3.3	-173.3	75.6	0	0	0	0	117	C776 E777 R781 H792 H796	C776-C779 PolarHBondContact O-N 3.37Å; E777-C779 PolarHBondContact O-N 2.75Å; C779-R781 PolarHBondContact O-N 2.85Å; C779-R781 VanDerWaalsContact O-N 3.13Å; C779-R781 VanDerWaalsContact SG-CG 3.56Å; C779-H792 PolarHBondContact SG-NE2 3.49Å; C779-H796 WeakPolarHBondContact CB-CE1 3.39Å; C779-H796 PolarHBondContact SG-CE1 3.41Å; C779-H796 PolarHBondContact SG-NE2 2.9Å
780	G	66.3	Low	72	Confident	57 Å²	57	75.4 Å²	75.4	59%	0.588	39%	0.391	S	S	*	.			trans	68.4	2.3	-179.8	0	0	0	0	0	116	C776	C776-G780 WeakPolarHBondContact O-CA 3.42Å; C776-G780 PolarHBondContact O-N 3.47Å
781	R	68.3	Low	73.2	Confident	159 Å²	159	74.9 Å²	74.9	60%	0.6	38%	0.384	S	S	*	.			trans	-72.1	132.1	177.6	-69	-179	-176.5	-165.4	2.3	110.7	P775 C776 C779 F783	P775-R781 CarbonylContact C-O 3.58Å; C776-R781 PolarHBondContact N-O 3.31Å; C779-R781 PolarHBondContact O-N 2.85Å; C779-R781 VanDerWaalsContact O-N 3.13Å; C779-R781 VanDerWaalsContact SG-CG 3.56Å; R781-F783 HydrophobicContact CB-CE2 3.66Å; R781-F783 HydrophobicContact CB-CZ 3.91Å; R781-F783 WeakPolarHBondContact O-CD2 3.36Å; R781-F783 VanDerWaalsContact O-CE2 3.31Å; R781-F783 WeakPolarHBondContact O-CE2 3.5Å
782	I	71.2	Confident	74.1	Confident	55 Å²	55	67.4 Å²	67.4	28%	0.282	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.3	-179.5	-54.9	173.4	0	0	0	110.1	V758 I773	V758-I782 HydrophobicContact CG1-CB 4.03Å; V758-I782 HydrophobicContact CG1-CD1 4.21Å; V758-I782 HydrophobicContact CG1-CG2 3.62Å; V758-I782 HydrophobicContact CG2-CG2 4.43Å; I773-I782 HydrophobicContact CB-CG2 4.5Å; I773-I782 HydrophobicContact CG2-CD1 4.37Å; I773-I782 HydrophobicContact CG2-CG2 3.71Å
783	F	77.4	Confident	75	Confident	44 Å²	44	65.9 Å²	65.9	19%	0.193	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147	175.5	-61.3	-88.2	0	0	0	110.6	H774 C776 R781 S785 N788 L789 H792	H774-F783 WeakPolarHBondContact CB-O 3.15Å; H774-F783 PolarHBondContact N-O 2.84Å; H774-F783 PolarHBondContact O-N 3.34Å; C776-F783 HydrophobicContact CB-CE2 4.11Å; R781-F783 HydrophobicContact CB-CE2 3.66Å; R781-F783 HydrophobicContact CB-CZ 3.91Å; R781-F783 WeakPolarHBondContact O-CD2 3.36Å; R781-F783 VanDerWaalsContact O-CE2 3.31Å; R781-F783 WeakPolarHBondContact O-CE2 3.5Å; F783-S785 VanDerWaalsContact C-N 3.3Å; F783-S785 PolarHBondContact O-N 2.92Å; F783-N788 HydrophobicContact CB-CB 4.15Å; F783-N788 HydrophobicContact CD1-CB 4.17Å; F783-L789 HydrophobicContact CB-CB 4.1Å; F783-L789 HydrophobicContact CD2-CB 4.16Å; F783-L789 HydrophobicContact CD2-CD1 3.91Å; F783-L789 HydrophobicContact CE2-CD1 4.33Å; F783-L789 HydrophobicContact CG-CB 4.29Å; F783-H792 HydrophobicContact CE1-CB 3.85Å; F783-H792 AromaticContact CE1-CG 4Å; F783-H792 HydrophobicContact CE2-CB 3.87Å; F783-H792 AromaticContact CE2-CD2 3.21Å; F783-H792 WeakPolarHBondContact CE2-CD2 3.44Å; F783-H792 AromaticContact CE2-CG 3.65Å; F783-H792 HydrophobicContact CZ-CB 3.51Å; F783-H792 AromaticContact CZ-CD2 3.19Å; F783-H792 WeakPolarHBondContact CZ-CD2 3.17Å; F783-H792 AromaticContact CZ-CG 3.22Å; F783-H792 AromaticContact CZ-ND1 3.91Å; F783-H792 AromaticContact CZ-NE2 3.85Å
784	N	72.5	Confident	75.5	Confident	78 Å²	78	67.5 Å²	67.5	42%	0.417	36%	0.355	S	S	.	.	S	Bend	trans	-84.1	2.3	-178.1	64.8	-18.8	0	0	0	114.1	A755 N788	A755-N784 HydrophobicContact CB-CB 3.92Å; N784-N788 PolarHBondContact OD1-ND2 2.93Å
785	S	78.1	Confident	75.4	Confident	41 Å²	41	71.6 Å²	71.6	29%	0.287	38%	0.377	S	S	.	.	S	Bend	trans	-158.2	151.4	171.2	70.6	0	0	0	0	111.1	H774 F783 G787 N788 L789	H774-S785 VanDerWaalsContact CD2-CA 3.47Å; H774-S785 WeakPolarHBondContact CD2-CA 3.18Å; F783-S785 VanDerWaalsContact C-N 3.3Å; F783-S785 PolarHBondContact O-N 2.92Å; S785-G787 VanDerWaalsContact C-N 3.31Å; S785-G787 PolarHBondContact O-N 3.05Å; S785-N788 PolarHBondContact O-N 3.1Å; S785-N788 VanDerWaalsContact O-N 3.08Å; S785-N788 WeakPolarHBondContact OG-CB 3.48Å; S785-N788 VanDerWaalsContact OG-CG 3.25Å; S785-N788 PolarHBondContact OG-N 3.18Å; S785-N788 PolarHBondContact OG-ND2 2.8Å; S785-L789 PolarHBondContact O-N 2.85Å
786	I	80.3	Confident	75.3	Confident	101 Å²	101	72.3 Å²	72.3	52%	0.518	37%	0.374	S	S	.	.	H	α-helix	trans	-55.3	-47.4	175.1	-57.9	175.9	0	0	0	110.1	H774 N788 L789 E790	H774-I786 PolarHBondContact CD2-N 3.32Å; H774-I786 WeakPolarHBondContact CE1-CG1 3.5Å; I786-N788 PolarHBondContact O-N 3.33Å; I786-N788 VanDerWaalsContact O-N 3.14Å; I786-L789 CarbonylContact O-C 3.53Å; I786-L789 WeakPolarHBondContact O-CA 3.33Å; I786-L789 WeakPolarHBondContact O-CB 3.42Å; I786-L789 PolarHBondContact O-N 3.1Å; I786-E790 HydrophobicContact CG2-CG 4.05Å; I786-E790 WeakPolarHBondContact O-CG 3.47Å; I786-E790 PolarHBondContact O-N 2.76Å
787	G	79.3	Confident	74.9	Confident	44 Å²	44	75.9 Å²	75.9	45%	0.454	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-21.8	178.5	0	0	0	0	0	115.2	S785 R791	S785-G787 VanDerWaalsContact C-N 3.31Å; S785-G787 PolarHBondContact O-N 3.05Å; G787-R791 WeakPolarHBondContact O-CB 3.47Å; G787-R791 PolarHBondContact O-N 3.29Å
788	N	80.3	Confident	74.5	Confident	47 Å²	47	69.9 Å²	69.9	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-83.1	-35.5	170.5	-74.1	-19.2	0	0	0	111.9	F783 N784 S785 I786 R791 H792	F783-N788 HydrophobicContact CB-CB 4.15Å; F783-N788 HydrophobicContact CD1-CB 4.17Å; N784-N788 PolarHBondContact OD1-ND2 2.93Å; S785-N788 PolarHBondContact O-N 3.1Å; S785-N788 VanDerWaalsContact O-N 3.08Å; S785-N788 WeakPolarHBondContact OG-CB 3.48Å; S785-N788 VanDerWaalsContact OG-CG 3.25Å; S785-N788 PolarHBondContact OG-N 3.18Å; S785-N788 PolarHBondContact OG-ND2 2.8Å; I786-N788 PolarHBondContact O-N 3.33Å; I786-N788 VanDerWaalsContact O-N 3.14Å; N788-R791 PolarHBondContact OD1-NH1 3.38Å; N788-R791 PolarHBondContact OD1-NH2 3.02Å; N788-H792 PolarHBondContact O-N 3.13Å; N788-H792 VanDerWaalsContact O-N 3.13Å
789	L	81.4	Confident	74.2	Confident	12 Å²	12	66 Å²	66	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-48.8	170.6	170.9	59.1	0	0	0	111.5	H774 P775 C776 F783 S785 I786 R791 H792 K793	H774-L789 HydrophobicContact CB-CB 4.11Å; H774-L789 HydrophobicContact CB-CD2 3.86Å; P775-L789 WeakPolarHBondContact O-CD2 3.32Å; C776-L789 HydrophobicContact CB-CD1 3.47Å; C776-L789 VanDerWaalsContact CB-CD1 3.47Å; F783-L789 HydrophobicContact CB-CB 4.1Å; F783-L789 HydrophobicContact CD2-CB 4.16Å; F783-L789 HydrophobicContact CD2-CD1 3.91Å; F783-L789 HydrophobicContact CE2-CD1 4.33Å; F783-L789 HydrophobicContact CG-CB 4.29Å; S785-L789 PolarHBondContact O-N 2.85Å; I786-L789 CarbonylContact O-C 3.53Å; I786-L789 WeakPolarHBondContact O-CA 3.33Å; I786-L789 WeakPolarHBondContact O-CB 3.42Å; I786-L789 PolarHBondContact O-N 3.1Å; L789-R791 VanDerWaalsContact C-N 3.34Å; L789-R791 PolarHBondContact O-N 2.96Å; L789-H792 CarbonylContact O-C 3.58Å; L789-H792 WeakPolarHBondContact O-CA 3.42Å; L789-H792 WeakPolarHBondContact O-CB 3.44Å; L789-H792 PolarHBondContact O-N 3.24Å; L789-K793 HydrophobicContact CD1-CG 4.17Å; L789-K793 HydrophobicContact CG-CD 4.33Å; L789-K793 HydrophobicContact CG-CG 4.46Å; L789-K793 PolarHBondContact O-N 2.78Å
790	E	77.4	Confident	74.4	Confident	80 Å²	80	69.5 Å²	69.5	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-60.2	-44.8	178.8	-63.7	-46.2	124.9	0	0	111	I786 H792 K793 I794	I786-E790 HydrophobicContact CG2-CG 4.05Å; I786-E790 WeakPolarHBondContact O-CG 3.47Å; I786-E790 PolarHBondContact O-N 2.76Å; E790-H792 PolarHBondContact O-N 3.07Å; E790-H792 VanDerWaalsContact O-N 3.15Å; E790-K793 WeakPolarHBondContact O-CB 3.44Å; E790-K793 PolarHBondContact O-N 3Å; E790-K793 WeakPolarHBondContact OE1-CD 3.49Å; E790-K793 WeakPolarHBondContact OE1-CE 3.48Å; E790-K793 IonicContact OE1-NZ 3.4Å; E790-K793 PolarHBondContact OE1-NZ 3.01Å; E790-K793 WeakPolarHBondContact OE2-CD 3.18Å; E790-K793 IonicContact OE2-NZ 2.69Å; E790-K793 PolarHBondContact OE2-NZ 3.46Å; E790-I794 WeakPolarHBondContact O-CG1 3.17Å; E790-I794 PolarHBondContact O-N 3.1Å
791	R	80.1	Confident	74.8	Confident	112 Å²	112	70.7 Å²	70.7	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-28.3	173.1	-160	-172.4	-54.3	111.2	12.3	113	G787 N788 L789 R813	G787-R791 WeakPolarHBondContact O-CB 3.47Å; G787-R791 PolarHBondContact O-N 3.29Å; N788-R791 PolarHBondContact OD1-NH1 3.38Å; N788-R791 PolarHBondContact OD1-NH2 3.02Å; L789-R791 VanDerWaalsContact C-N 3.34Å; L789-R791 PolarHBondContact O-N 2.96Å; R791-R813 VanDerWaalsContact CG-CD 3.41Å
792	H	79.3	Confident	75.3	Confident	13 Å²	13	65.8 Å²	65.8	6%	0.06	36%	0.356	C	S	.	.	H	α-helix	trans	-81.4	-34.6	173.6	-177.4	53.4	0	0	0	113.3	C779 F783 N788 L789 E790 I794 I795 H796	C779-H792 PolarHBondContact SG-NE2 3.49Å; F783-H792 HydrophobicContact CE1-CB 3.85Å; F783-H792 AromaticContact CE1-CG 4Å; F783-H792 HydrophobicContact CE2-CB 3.87Å; F783-H792 AromaticContact CE2-CD2 3.21Å; F783-H792 WeakPolarHBondContact CE2-CD2 3.44Å; F783-H792 AromaticContact CE2-CG 3.65Å; F783-H792 HydrophobicContact CZ-CB 3.51Å; F783-H792 AromaticContact CZ-CD2 3.19Å; F783-H792 WeakPolarHBondContact CZ-CD2 3.17Å; F783-H792 AromaticContact CZ-CG 3.22Å; F783-H792 AromaticContact CZ-ND1 3.91Å; F783-H792 AromaticContact CZ-NE2 3.85Å; N788-H792 PolarHBondContact O-N 3.13Å; N788-H792 VanDerWaalsContact O-N 3.13Å; L789-H792 CarbonylContact O-C 3.58Å; L789-H792 WeakPolarHBondContact O-CA 3.42Å; L789-H792 WeakPolarHBondContact O-CB 3.44Å; L789-H792 PolarHBondContact O-N 3.24Å; E790-H792 PolarHBondContact O-N 3.07Å; E790-H792 VanDerWaalsContact O-N 3.15Å; H792-I794 PolarHBondContact O-N 3.39Å; H792-I795 VanDerWaalsContact O-CB 3.25Å; H792-I795 WeakPolarHBondContact O-CB 3.36Å; H792-I795 PolarHBondContact O-N 2.94Å; H792-H796 AromaticContact CD2-NE2 2.74Å; H792-H796 PolarHBondContact CD2-NE2 3.15Å; H792-H796 AromaticContact CE1-NE2 2.72Å; H792-H796 PolarHBondContact CE1-NE2 3.38Å; H792-H796 AromaticContact CG-NE2 3.66Å; H792-H796 AromaticContact ND1-NE2 3.64Å; H792-H796 AromaticContact NE2-CD2 3.79Å; H792-H796 AromaticContact NE2-NE2 2Å; H792-H796 PolarHBondContact NE2-NE2 3.1Å
793	K	78.8	Confident	75.6	Confident	63 Å²	63	66.7 Å²	66.7	27%	0.274	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-35.1	174.3	-78.9	169.6	169	177.6	0	111.9	L789 E790 I795 H796 T797	L789-K793 HydrophobicContact CD1-CG 4.17Å; L789-K793 HydrophobicContact CG-CD 4.33Å; L789-K793 HydrophobicContact CG-CG 4.46Å; L789-K793 PolarHBondContact O-N 2.78Å; E790-K793 WeakPolarHBondContact O-CB 3.44Å; E790-K793 PolarHBondContact O-N 3Å; E790-K793 WeakPolarHBondContact OE1-CD 3.49Å; E790-K793 WeakPolarHBondContact OE1-CE 3.48Å; E790-K793 IonicContact OE1-NZ 3.4Å; E790-K793 PolarHBondContact OE1-NZ 3.01Å; E790-K793 WeakPolarHBondContact OE2-CD 3.18Å; E790-K793 IonicContact OE2-NZ 2.69Å; E790-K793 PolarHBondContact OE2-NZ 3.46Å; K793-I795 PolarHBondContact O-N 3.41Å; K793-I795 VanDerWaalsContact O-N 3.11Å; K793-H796 WeakPolarHBondContact O-CA 3.28Å; K793-H796 PolarHBondContact O-N 3.45Å; K793-T797 PolarHBondContact O-N 3.15Å
794	I	78.5	Confident	76	Confident	51 Å²	51	64.6 Å²	64.6	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-26	173.5	-49.4	165.8	0	0	0	112.1	E790 H792 H796 G798 V799 A812	E790-I794 WeakPolarHBondContact O-CG1 3.17Å; E790-I794 PolarHBondContact O-N 3.1Å; H792-I794 PolarHBondContact O-N 3.39Å; I794-H796 VanDerWaalsContact C-N 3.32Å; I794-G798 WeakPolarHBondContact O-CA 3.41Å; I794-G798 PolarHBondContact O-N 3.14Å; I794-V799 VanDerWaalsContact CG2-O 3.27Å; I794-V799 WeakPolarHBondContact CG2-O 3.34Å; I794-A812 HydrophobicContact CG2-CB 3.66Å
795	I	75.6	Confident	76.3	Confident	123 Å²	123	70.1 Å²	70.1	63%	0.631	38%	0.381	S	S	*	.	H	α-helix	trans	-74.2	-24.3	175.2	-50.1	-176	0	0	0	111.7	H792 K793	H792-I795 VanDerWaalsContact O-CB 3.25Å; H792-I795 WeakPolarHBondContact O-CB 3.36Å; H792-I795 PolarHBondContact O-N 2.94Å; K793-I795 PolarHBondContact O-N 3.41Å; K793-I795 VanDerWaalsContact O-N 3.11Å
796	H	70.3	Confident	76.1	Confident	78 Å²	78	74 Å²	74	36%	0.361	39%	0.393	S	S	.	.	H	α-helix	trans	-93	-36.5	177.3	-63.6	-69.4	0	0	0	113.3	C776 M778 C779 H792 K793 I794 G798	C776-H796 VanDerWaalsContact SG-CD2 3.54Å; C776-H796 PolarHBondContact SG-NE2 3.48Å; M778-H796 HydrophobicContact CB-CB 4.09Å; M778-H796 HydrophobicContact CG-CB 4.1Å; C779-H796 WeakPolarHBondContact CB-CE1 3.39Å; C779-H796 PolarHBondContact SG-CE1 3.41Å; C779-H796 PolarHBondContact SG-NE2 2.9Å; H792-H796 AromaticContact CD2-NE2 2.74Å; H792-H796 PolarHBondContact CD2-NE2 3.15Å; H792-H796 AromaticContact CE1-NE2 2.72Å; H792-H796 PolarHBondContact CE1-NE2 3.38Å; H792-H796 AromaticContact CG-NE2 3.66Å; H792-H796 AromaticContact ND1-NE2 3.64Å; H792-H796 AromaticContact NE2-CD2 3.79Å; H792-H796 AromaticContact NE2-NE2 2Å; H792-H796 PolarHBondContact NE2-NE2 3.1Å; K793-H796 WeakPolarHBondContact O-CA 3.28Å; K793-H796 PolarHBondContact O-N 3.45Å; I794-H796 VanDerWaalsContact C-N 3.32Å; H796-G798 VanDerWaalsContact C-N 3.3Å
797	T	68.6	Low	76.1	Confident	77 Å²	77	71.6 Å²	71.6	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-28.6	171.9	63.3	0	0	0	0	111.2	K793 V799	K793-T797 PolarHBondContact O-N 3.15Å; T797-V799 PolarHBondContact O-N 2.95Å; T797-V799 VanDerWaalsContact O-N 3.15Å
798	G	66	Low	76.1	Confident	44 Å²	44	72.2 Å²	72.2	45%	0.454	39%	0.391	S	S	.	.			trans	73.3	-2.7	180	0	0	0	0	0	114.3	I794 H796 K800	I794-G798 WeakPolarHBondContact O-CA 3.41Å; I794-G798 PolarHBondContact O-N 3.14Å; H796-G798 VanDerWaalsContact C-N 3.3Å; G798-K800 WeakPolarHBondContact O-CG 3.34Å; G798-K800 PolarHBondContact O-N 3.35Å
799	V	63.7	Low	76.1	Confident	57 Å²	57	75.7 Å²	75.7	35%	0.345	40%	0.403	S	S	.	.			trans	-58.7	122.3	-178.7	176.2	0	0	0	0	110.3	I794 T797	I794-V799 VanDerWaalsContact CG2-O 3.27Å; I794-V799 WeakPolarHBondContact CG2-O 3.34Å; T797-V799 PolarHBondContact O-N 2.95Å; T797-V799 VanDerWaalsContact O-N 3.15Å
800	K	69.7	Low	76.1	Confident	124 Å²	124	77.1 Å²	77.1	54%	0.539	42%	0.415	S	S	.	.			trans	-117.6	69.8	-175.7	-75.7	158.4	161.8	-170.4	0	110.6	G798 H802 S810 F811	G798-K800 WeakPolarHBondContact O-CG 3.34Å; G798-K800 PolarHBondContact O-N 3.35Å; K800-H802 PolarHBondContact O-N 3.09Å; K800-S810 VanDerWaalsContact CD-O 3.29Å; K800-S810 WeakPolarHBondContact CD-O 3.37Å; K800-S810 WeakPolarHBondContact CE-O 3.33Å; K800-S810 WeakPolarHBondContact O-CB 3.27Å; K800-F811 CarbonylContact C-O 3.47Å; K800-F811 VanDerWaalsContact C-O 3.27Å; K800-F811 WeakPolarHBondContact CA-O 3.16Å
801	S	73.7	Confident	76.3	Confident	81 Å²	81	75.7 Å²	75.7	57%	0.566	41%	0.407	S	S	*	.			trans	-63.9	-3.9	-175.9	53.4	0	0	0	0	116.1	F811	S801-F811 PolarHBondContact N-O 3.25Å
802	H	78.2	Confident	76.3	Confident	56 Å²	56	72.1 Å²	72.1	26%	0.259	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	84.9	-175.1	-62.2	-62.1	0	0	0	111.9	K800 F811 K814 L817	K800-H802 PolarHBondContact O-N 3.09Å; H802-F811 HydrophobicContact CB-CB 4.44Å; H802-F811 WeakPolarHBondContact CB-O 3.49Å; H802-F811 PolarHBondContact N-O 2.8Å; H802-F811 VanDerWaalsContact N-O 3.09Å; H802-F811 PolarHBondContact O-N 3.1Å; H802-K814 PolarHBondContact CD2-N 2.92Å; H802-K814 PolarHBondContact NE2-N 2.8Å; H802-L817 HydrophobicContact CB-CB 3.97Å; H802-L817 HydrophobicContact CB-CD2 3.83Å
803	C	79	Confident	76.3	Confident	74 Å²	74	74.6 Å²	74.6	50%	0.5	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	146.1	175.4	-64.6	0	0	0	0	112.7	S810 L817	C803-S810 PolarHBondContact SG-OG 2.81Å; C803-S810 VanDerWaalsContact SG-OG 3.36Å; C803-L817 VanDerWaalsContact O-CD2 3.3Å; C803-L817 WeakPolarHBondContact O-CD2 3.11Å
804	C	86.3	Confident	76.3	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.007	43%	0.43	C	S	.	.			trans	-99.8	105.6	172	-177.9	0	0	0	0	110.3	K806 C807 G808 K809 F811 L817 H820 H824	C804-K806 PolarHBondContact O-N 2.99Å; C804-C807 PolarHBondContact O-N 2.67Å; C804-G808 WeakPolarHBondContact O-CA 3.49Å; C804-G808 PolarHBondContact O-N 3.29Å; C804-K809 VanDerWaalsContact CB-O 3.3Å; C804-K809 WeakPolarHBondContact CB-O 3.28Å; C804-K809 PolarHBondContact N-O 3.44Å; C804-F811 HydrophobicContact CB-CE2 4.34Å; C804-L817 HydrophobicContact CB-CD1 3.55Å; C804-H820 VanDerWaalsContact SG-CD2 3.56Å; C804-H824 PolarHBondContact SG-CD2 3.49Å; C804-H824 PolarHBondContact SG-NE2 3.14Å; C804-H824 VanDerWaalsContact SG-NE2 3.39Å
805	E	77.1	Confident	76.3	Confident	194 Å²	194	80.3 Å²	80.3	91%	0.907	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-44.4	178.6	-68	149.2	-156	0	0	112.8	C807	E805-C807 PolarHBondContact O-N 2.79Å; E805-C807 VanDerWaalsContact O-N 3.09Å
806	K	75.5	Confident	76.6	Confident	123 Å²	123	77.5 Å²	77.5	54%	0.535	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.6	-178.3	-64.4	-173.7	177.9	-173.9	0	115.2	C804 H824 D825	C804-K806 PolarHBondContact O-N 2.99Å; K806-H824 HydrophobicContact CB-CB 4.09Å; K806-H824 HydrophobicContact CD-CB 3.44Å; K806-H824 VanDerWaalsContact CD-CB 3.44Å; K806-H824 HydrophobicContact CG-CB 4.39Å; K806-D825 IonicContact NZ-OD1 2.72Å; K806-D825 PolarHBondContact NZ-OD1 3.11Å
807	C	79.6	Confident	77.3	Confident	49 Å²	49	74.8 Å²	74.8	33%	0.331	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-161.3	12.1	178.7	72.6	0	0	0	0	117.3	C804 E805 K809 H820 H824	C804-C807 PolarHBondContact O-N 2.67Å; E805-C807 PolarHBondContact O-N 2.79Å; E805-C807 VanDerWaalsContact O-N 3.09Å; C807-K809 PolarHBondContact O-N 3.44Å; C807-K809 VanDerWaalsContact O-N 3.08Å; C807-K809 VanDerWaalsContact SG-CD 3.58Å; C807-K809 VanDerWaalsContact SG-CG 3.57Å; C807-H820 PolarHBondContact SG-NE2 3.45Å; C807-H824 VanDerWaalsContact CB-CE1 3.48Å; C807-H824 WeakPolarHBondContact CB-CE1 3.49Å; C807-H824 PolarHBondContact SG-CE1 3.29Å; C807-H824 PolarHBondContact SG-NE2 2.8Å
808	G	80	Confident	77.9	Confident	57 Å²	57	78.7 Å²	78.7	59%	0.588	42%	0.42	S	S	*	.			trans	67.4	0.2	-177.7	0	0	0	0	0	116.6	C804 S810	C804-G808 WeakPolarHBondContact O-CA 3.49Å; C804-G808 PolarHBondContact O-N 3.29Å; G808-S810 PolarHBondContact O-N 3.49Å
809	K	79.5	Confident	78.5	Confident	120 Å²	120	81.3 Å²	81.3	52%	0.522	42%	0.421	S	S	.	.			trans	-75.3	118.3	-175.7	-70.2	172	-170.2	159.2	0	111.7	C804 C807 F811	C804-K809 VanDerWaalsContact CB-O 3.3Å; C804-K809 WeakPolarHBondContact CB-O 3.28Å; C804-K809 PolarHBondContact N-O 3.44Å; C807-K809 PolarHBondContact O-N 3.44Å; C807-K809 VanDerWaalsContact O-N 3.08Å; C807-K809 VanDerWaalsContact SG-CD 3.58Å; C807-K809 VanDerWaalsContact SG-CG 3.57Å; K809-F811 HydrophobicContact CB-CE2 3.74Å; K809-F811 HydrophobicContact CB-CZ 4.13Å; K809-F811 VanDerWaalsContact O-CD2 3.23Å; K809-F811 WeakPolarHBondContact O-CD2 3.34Å; K809-F811 WeakPolarHBondContact O-CE2 3.37Å
810	S	80.3	Confident	79.4	Confident	43 Å²	43	79.7 Å²	79.7	30%	0.301	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.4	-179.8	-27.5	0	0	0	0	112.8	K800 C803 G808	K800-S810 VanDerWaalsContact CD-O 3.29Å; K800-S810 WeakPolarHBondContact CD-O 3.37Å; K800-S810 WeakPolarHBondContact CE-O 3.33Å; K800-S810 WeakPolarHBondContact O-CB 3.27Å; C803-S810 PolarHBondContact SG-OG 2.81Å; C803-S810 VanDerWaalsContact SG-OG 3.36Å; G808-S810 PolarHBondContact O-N 3.49Å
811	F	82.8	Confident	79.8	Confident	50 Å²	50	76.4 Å²	76.4	22%	0.219	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.6	-177.1	-65.3	-92.6	0	0	0	111.7	K800 S801 H802 C804 K809 R813 M816 L817 H820	K800-F811 CarbonylContact C-O 3.47Å; K800-F811 VanDerWaalsContact C-O 3.27Å; K800-F811 WeakPolarHBondContact CA-O 3.16Å; S801-F811 PolarHBondContact N-O 3.25Å; H802-F811 HydrophobicContact CB-CB 4.44Å; H802-F811 WeakPolarHBondContact CB-O 3.49Å; H802-F811 PolarHBondContact N-O 2.8Å; H802-F811 VanDerWaalsContact N-O 3.09Å; H802-F811 PolarHBondContact O-N 3.1Å; C804-F811 HydrophobicContact CB-CE2 4.34Å; K809-F811 HydrophobicContact CB-CE2 3.74Å; K809-F811 HydrophobicContact CB-CZ 4.13Å; K809-F811 VanDerWaalsContact O-CD2 3.23Å; K809-F811 WeakPolarHBondContact O-CD2 3.34Å; K809-F811 WeakPolarHBondContact O-CE2 3.37Å; F811-R813 VanDerWaalsContact C-N 3.26Å; F811-R813 PolarHBondContact O-N 2.86Å; F811-M816 HydrophobicContact CB-CB 4.39Å; F811-M816 HydrophobicContact CD1-CB 4.16Å; F811-L817 HydrophobicContact CB-CB 4.33Å; F811-L817 HydrophobicContact CD2-CB 4.34Å; F811-L817 HydrophobicContact CD2-CD1 4.07Å; F811-L817 HydrophobicContact CE2-CD1 4.49Å; F811-L817 HydrophobicContact CG-CB 4.49Å; F811-H820 HydrophobicContact CE1-CB 3.98Å; F811-H820 HydrophobicContact CE2-CB 3.84Å; F811-H820 AromaticContact CE2-CD2 3.15Å; F811-H820 WeakPolarHBondContact CE2-CD2 3.41Å; F811-H820 AromaticContact CE2-CG 3.51Å; F811-H820 AromaticContact CE2-NE2 3.83Å; F811-H820 HydrophobicContact CZ-CB 3.54Å; F811-H820 AromaticContact CZ-CD2 3.33Å; F811-H820 WeakPolarHBondContact CZ-CD2 2.99Å; F811-H820 AromaticContact CZ-CG 3.21Å; F811-H820 AromaticContact CZ-ND1 3.73Å; F811-H820 AromaticContact CZ-NE2 3.85Å
812	A	80.5	Confident	79.9	Confident	36 Å²	36	78 Å²	78	30%	0.298	39%	0.391	S	S	.	.	S	Bend	trans	-68.8	-17.3	177.8	0	0	0	0	0	114.3	I794	I794-A812 HydrophobicContact CG2-CB 3.66Å
813	R	79	Confident	79.6	Confident	66 Å²	66	79.4 Å²	79.4	25%	0.249	40%	0.403	C	S	.	.	S	Bend	trans	-150.9	142.1	-171.5	-47.5	-171.1	-53.2	112	2.2	112.3	R791 F811 D815 M816 L817	R791-R813 VanDerWaalsContact CG-CD 3.41Å; F811-R813 VanDerWaalsContact C-N 3.26Å; F811-R813 PolarHBondContact O-N 2.86Å; R813-D815 VanDerWaalsContact C-N 3.31Å; R813-D815 WeakPolarHBondContact CB-OD1 3.41Å; R813-D815 VanDerWaalsContact CZ-CG 3.45Å; R813-D815 IonicContact CZ-OD1 3.66Å; R813-D815 IonicContact CZ-OD2 2.61Å; R813-D815 IonicContact NE-OD1 2.73Å; R813-D815 IonicContact NH1-OD1 3.05Å; R813-D815 PolarHBondContact NH1-OD1 2.96Å; R813-D815 IonicContact NH1-OD2 2.68Å; R813-D815 PolarHBondContact NH1-OD2 2.79Å; R813-D815 VanDerWaalsContact NH2-CG 3.33Å; R813-D815 IonicContact NH2-OD1 2.65Å; R813-D815 PolarHBondContact NH2-OD1 3.47Å; R813-D815 IonicContact NH2-OD2 3.29Å; R813-D815 PolarHBondContact NH2-OD2 3.27Å; R813-D815 PolarHBondContact O-N 2.95Å; R813-M816 HydrophobicContact CB-CG 3.92Å; R813-M816 HydrophobicContact CG-CG 4.45Å; R813-M816 PolarHBondContact NH2-SD 2.84Å; R813-M816 WeakPolarHBondContact O-CB 3.46Å; R813-M816 PolarHBondContact O-N 3.32Å; R813-M816 VanDerWaalsContact O-N 3.1Å; R813-L817 PolarHBondContact O-N 3.18Å
814	K	79.1	Confident	79.3	Confident	157 Å²	157	78.5 Å²	78.5	68%	0.683	39%	0.392	S	S	*	.	H	α-helix	trans	-60.8	-32.4	-176.8	-168	170.5	-177.2	171.6	0	114.1	H802 K818	H802-K814 PolarHBondContact CD2-N 2.92Å; H802-K814 PolarHBondContact NE2-N 2.8Å; K814-K818 WeakPolarHBondContact O-CB 3.24Å; K814-K818 PolarHBondContact O-N 2.8Å
815	D	78.5	Confident	78.5	Confident	76 Å²	76	81.7 Å²	81.7	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-73.1	-33.4	175.7	63	-29.6	0	0	0	112.6	R813 K818 E819	R813-D815 VanDerWaalsContact C-N 3.31Å; R813-D815 WeakPolarHBondContact CB-OD1 3.41Å; R813-D815 VanDerWaalsContact CZ-CG 3.45Å; R813-D815 IonicContact CZ-OD1 3.66Å; R813-D815 IonicContact CZ-OD2 2.61Å; R813-D815 IonicContact NE-OD1 2.73Å; R813-D815 IonicContact NH1-OD1 3.05Å; R813-D815 PolarHBondContact NH1-OD1 2.96Å; R813-D815 IonicContact NH1-OD2 2.68Å; R813-D815 PolarHBondContact NH1-OD2 2.79Å; R813-D815 VanDerWaalsContact NH2-CG 3.33Å; R813-D815 IonicContact NH2-OD1 2.65Å; R813-D815 PolarHBondContact NH2-OD1 3.47Å; R813-D815 IonicContact NH2-OD2 3.29Å; R813-D815 PolarHBondContact NH2-OD2 3.27Å; R813-D815 PolarHBondContact O-N 2.95Å; D815-K818 PolarHBondContact O-N 2.79Å; D815-E819 WeakPolarHBondContact O-CB 3.41Å; D815-E819 PolarHBondContact O-N 3.14Å
816	M	80.6	Confident	77.7	Confident	64 Å²	64	77.4 Å²	77.4	32%	0.315	39%	0.392	S	S	.	.	H	α-helix	trans	-70.9	-36.6	172.9	-50.7	-78.6	69.7	0	0	111.3	F811 R813 H820	F811-M816 HydrophobicContact CB-CB 4.39Å; F811-M816 HydrophobicContact CD1-CB 4.16Å; R813-M816 HydrophobicContact CB-CG 3.92Å; R813-M816 HydrophobicContact CG-CG 4.45Å; R813-M816 PolarHBondContact NH2-SD 2.84Å; R813-M816 WeakPolarHBondContact O-CB 3.46Å; R813-M816 PolarHBondContact O-N 3.32Å; R813-M816 VanDerWaalsContact O-N 3.1Å; M816-H820 WeakPolarHBondContact O-CB 3.44Å; M816-H820 PolarHBondContact O-N 2.88Å
817	L	84.6	Confident	77.1	Confident	22 Å²	22	77.2 Å²	77.2	12%	0.115	40%	0.397	C	S	.	.	H	α-helix	trans	-63	-46.7	167.8	173.5	62	0	0	0	111.2	H802 C803 C804 F811 R813 E819 H820 L821	H802-L817 HydrophobicContact CB-CB 3.97Å; H802-L817 HydrophobicContact CB-CD2 3.83Å; C803-L817 VanDerWaalsContact O-CD2 3.3Å; C803-L817 WeakPolarHBondContact O-CD2 3.11Å; C804-L817 HydrophobicContact CB-CD1 3.55Å; F811-L817 HydrophobicContact CB-CB 4.33Å; F811-L817 HydrophobicContact CD2-CB 4.34Å; F811-L817 HydrophobicContact CD2-CD1 4.07Å; F811-L817 HydrophobicContact CE2-CD1 4.49Å; F811-L817 HydrophobicContact CG-CB 4.49Å; R813-L817 PolarHBondContact O-N 3.18Å; L817-E819 VanDerWaalsContact C-N 3.3Å; L817-E819 PolarHBondContact O-N 3.42Å; L817-H820 CarbonylContact O-C 3.59Å; L817-H820 WeakPolarHBondContact O-CA 3.41Å; L817-H820 WeakPolarHBondContact O-CB 3.47Å; L817-H820 PolarHBondContact O-N 2.79Å; L817-L821 HydrophobicContact CD1-CD1 4.28Å; L817-L821 HydrophobicContact CD1-CD2 4.49Å; L817-L821 HydrophobicContact CD1-CG 4.06Å; L817-L821 HydrophobicContact CG-CD1 4.08Å; L817-L821 HydrophobicContact CG-CG 4.35Å; L817-L821 WeakPolarHBondContact O-CG 3.27Å; L817-L821 PolarHBondContact O-N 3.1Å
818	K	81.9	Confident	76.5	Confident	158 Å²	158	80.2 Å²	80.2	69%	0.687	40%	0.401	S	S	*	.	H	α-helix	trans	-62	-36.6	178.4	-171.8	170.6	-177.7	173.8	0	112.4	K814 D815	K814-K818 WeakPolarHBondContact O-CB 3.24Å; K814-K818 PolarHBondContact O-N 2.8Å; D815-K818 PolarHBondContact O-N 2.79Å
819	E	79.4	Confident	76.1	Confident	99 Å²	99	82.6 Å²	82.6	46%	0.463	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-40.5	170.5	172.4	149.8	-111.7	0	0	112.2	D815 L817 R822	D815-E819 WeakPolarHBondContact O-CB 3.41Å; D815-E819 PolarHBondContact O-N 3.14Å; L817-E819 VanDerWaalsContact C-N 3.3Å; L817-E819 PolarHBondContact O-N 3.42Å; E819-R822 WeakPolarHBondContact O-CB 3.29Å; E819-R822 PolarHBondContact O-N 3.46Å; E819-R822 IonicContact OE1-NH2 2.79Å; E819-R822 PolarHBondContact OE1-NH2 3.47Å
820	H	81.1	Confident	75.9	Confident	23 Å²	23	80.8 Å²	80.8	11%	0.106	39%	0.391	C	S	.	.	H	α-helix	trans	-70.8	-31.3	178.2	178.8	59.2	0	0	0	114.1	C804 C807 F811 M816 L817 R822 V823 H824	C804-H820 VanDerWaalsContact SG-CD2 3.56Å; C807-H820 PolarHBondContact SG-NE2 3.45Å; F811-H820 HydrophobicContact CE1-CB 3.98Å; F811-H820 HydrophobicContact CE2-CB 3.84Å; F811-H820 AromaticContact CE2-CD2 3.15Å; F811-H820 WeakPolarHBondContact CE2-CD2 3.41Å; F811-H820 AromaticContact CE2-CG 3.51Å; F811-H820 AromaticContact CE2-NE2 3.83Å; F811-H820 HydrophobicContact CZ-CB 3.54Å; F811-H820 AromaticContact CZ-CD2 3.33Å; F811-H820 WeakPolarHBondContact CZ-CD2 2.99Å; F811-H820 AromaticContact CZ-CG 3.21Å; F811-H820 AromaticContact CZ-ND1 3.73Å; F811-H820 AromaticContact CZ-NE2 3.85Å; M816-H820 WeakPolarHBondContact O-CB 3.44Å; M816-H820 PolarHBondContact O-N 2.88Å; L817-H820 CarbonylContact O-C 3.59Å; L817-H820 WeakPolarHBondContact O-CA 3.41Å; L817-H820 WeakPolarHBondContact O-CB 3.47Å; L817-H820 PolarHBondContact O-N 2.79Å; H820-R822 PolarHBondContact O-N 2.98Å; H820-V823 WeakPolarHBondContact O-CA 3.43Å; H820-V823 WeakPolarHBondContact O-CB 3.27Å; H820-V823 WeakPolarHBondContact O-CG2 3.42Å; H820-V823 PolarHBondContact O-N 3Å; H820-H824 AromaticContact CD2-NE2 3.68Å; H820-H824 AromaticContact CE1-NE2 3.35Å; H820-H824 PolarHBondContact CE1-NE2 3.09Å; H820-H824 AromaticContact NE2-CD2 3.83Å; H820-H824 AromaticContact NE2-CE1 3.85Å; H820-H824 AromaticContact NE2-NE2 2.93Å; H820-H824 PolarHBondContact NE2-NE2 3.39Å
821	L	80	Confident	75.8	Confident	55 Å²	55	84.2 Å²	84.2	29%	0.288	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-35.8	175.8	-75.1	166	0	0	0	111.4	L817 V823 H824 D825	L817-L821 HydrophobicContact CD1-CD1 4.28Å; L817-L821 HydrophobicContact CD1-CD2 4.49Å; L817-L821 HydrophobicContact CD1-CG 4.06Å; L817-L821 HydrophobicContact CG-CD1 4.08Å; L817-L821 HydrophobicContact CG-CG 4.35Å; L817-L821 WeakPolarHBondContact O-CG 3.27Å; L817-L821 PolarHBondContact O-N 3.1Å; L821-V823 PolarHBondContact O-N 2.98Å; L821-H824 PolarHBondContact O-N 2.77Å; L821-D825 PolarHBondContact O-N 3.01Å; L821-D825 VanDerWaalsContact O-N 3.11Å
822	R	75.1	Confident	75.9	Confident	116 Å²	116	82 Å²	82	44%	0.438	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-6.6	169.6	-53.3	-175.1	-63.5	-168.7	-0.8	114.6	E819 H820 K840	E819-R822 WeakPolarHBondContact O-CB 3.29Å; E819-R822 PolarHBondContact O-N 3.46Å; E819-R822 IonicContact OE1-NH2 2.79Å; E819-R822 PolarHBondContact OE1-NH2 3.47Å; H820-R822 PolarHBondContact O-N 2.98Å; R822-K840 WeakPolarHBondContact O-CD 3.41Å
823	V	71.3	Confident	75.7	Confident	85 Å²	85	85 Å²	85	52%	0.515	42%	0.421	S	S	.	.	H	α-helix	trans	-83.9	-29.1	171.6	-175.4	0	0	0	0	110.7	H820 L821 K840	H820-V823 WeakPolarHBondContact O-CA 3.43Å; H820-V823 WeakPolarHBondContact O-CB 3.27Å; H820-V823 WeakPolarHBondContact O-CG2 3.42Å; H820-V823 PolarHBondContact O-N 3Å; L821-V823 PolarHBondContact O-N 2.98Å; V823-K840 PolarHBondContact O-NZ 3.12Å
824	H	74.1	Confident	75.5	Confident	55 Å²	55	86.8 Å²	86.8	26%	0.255	43%	0.432	S	S	.	.	H	α-helix	trans	-93.8	-23.3	179.5	-58.3	-66	0	0	0	113.8	C804 K806 C807 H820 L821 D826	C804-H824 PolarHBondContact SG-CD2 3.49Å; C804-H824 PolarHBondContact SG-NE2 3.14Å; C804-H824 VanDerWaalsContact SG-NE2 3.39Å; K806-H824 HydrophobicContact CB-CB 4.09Å; K806-H824 HydrophobicContact CD-CB 3.44Å; K806-H824 VanDerWaalsContact CD-CB 3.44Å; K806-H824 HydrophobicContact CG-CB 4.39Å; C807-H824 VanDerWaalsContact CB-CE1 3.48Å; C807-H824 WeakPolarHBondContact CB-CE1 3.49Å; C807-H824 PolarHBondContact SG-CE1 3.29Å; C807-H824 PolarHBondContact SG-NE2 2.8Å; H820-H824 AromaticContact CD2-NE2 3.68Å; H820-H824 AromaticContact CE1-NE2 3.35Å; H820-H824 PolarHBondContact CE1-NE2 3.09Å; H820-H824 AromaticContact NE2-CD2 3.83Å; H820-H824 AromaticContact NE2-CE1 3.85Å; H820-H824 AromaticContact NE2-NE2 2.93Å; H820-H824 PolarHBondContact NE2-NE2 3.39Å; L821-H824 PolarHBondContact O-N 2.77Å; H824-D826 PolarHBondContact O-N 3.35Å
825	D	68.8	Low	75.5	Confident	68 Å²	68	82.4 Å²	82.4	36%	0.364	42%	0.42	S	S	.	.			trans	-72.8	109.5	165.4	-53.2	-31.6	0	0	0	106.5	K806 L821 N827 K840	K806-D825 IonicContact NZ-OD1 2.72Å; K806-D825 PolarHBondContact NZ-OD1 3.11Å; L821-D825 PolarHBondContact O-N 3.01Å; L821-D825 VanDerWaalsContact O-N 3.11Å; D825-N827 PolarHBondContact O-N 2.91Å; D825-K840 PolarHBondContact O-NZ 3.05Å
826	D	60.7	Low	75.5	Confident	103 Å²	103	81.3 Å²	81.3	55%	0.551	43%	0.427	S	S	*	.			trans	-84.1	7.7	-179	-118	-19.8	0	0	0	114.2	H824 R828 K840	H824-D826 PolarHBondContact O-N 3.35Å; D826-R828 WeakPolarHBondContact O-CG 3.21Å; D826-R828 PolarHBondContact O-N 3.25Å; D826-R828 IonicContact OD1-CZ 2.73Å; D826-R828 IonicContact OD1-NE 2.78Å; D826-R828 PolarHBondContact OD1-NE 2.92Å; D826-R828 IonicContact OD1-NH2 3.76Å; D826-R828 PolarHBondContact OD1-NH2 3.48Å; D826-K840 WeakPolarHBondContact OD1-CE 3.19Å; D826-K840 IonicContact OD1-NZ 2.83Å; D826-K840 PolarHBondContact OD1-NZ 3.02Å
827	N	61.3	Low	75.4	Confident	120 Å²	120	84.6 Å²	84.6	64%	0.642	44%	0.44	S	S	*	.			trans	-51.9	110.2	156.5	-88.5	35.5	0	0	0	110	D825 D829	D825-N827 PolarHBondContact O-N 2.91Å; N827-D829 WeakPolarHBondContact CB-OD1 3.34Å
828	R	67.8	Low	75.1	Confident	111 Å²	111	84 Å²	84	42%	0.419	44%	0.439	S	S	.	.			trans	-115.8	58.7	-179.1	-73.8	159.6	-178.9	-131.2	20.9	108.9	D826 Y830 G838 M839 K840	D826-R828 WeakPolarHBondContact O-CG 3.21Å; D826-R828 PolarHBondContact O-N 3.25Å; D826-R828 IonicContact OD1-CZ 2.73Å; D826-R828 IonicContact OD1-NE 2.78Å; D826-R828 PolarHBondContact OD1-NE 2.92Å; D826-R828 IonicContact OD1-NH2 3.76Å; D826-R828 PolarHBondContact OD1-NH2 3.48Å; R828-Y830 CarbonylContact O-C 3.49Å; R828-Y830 PolarHBondContact O-N 3.39Å; R828-G838 PolarHBondContact NH1-O 2.89Å; R828-G838 VanDerWaalsContact NH1-O 3.14Å; R828-M839 CarbonylContact C-O 3.56Å; R828-K840 HydrophobicContact CG-CG 4.02Å
829	D	72.6	Confident	75	Confident	107 Å²	107	78 Å²	78	57%	0.572	41%	0.413	S	S	*	.			trans	-49.2	-20.1	-172.5	-38.2	-34.6	0	0	0	114.3	N827	N827-D829 WeakPolarHBondContact CB-OD1 3.34Å
830	Y	73.9	Confident	74.6	Confident	83 Å²	83	75.9 Å²	75.9	33%	0.325	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-105.6	78.4	178.2	-52.4	-70	0	0	0	110.5	R828 M839 T841 K842	R828-Y830 CarbonylContact O-C 3.49Å; R828-Y830 PolarHBondContact O-N 3.39Å; Y830-M839 WeakPolarHBondContact CB-O 3.26Å; Y830-M839 PolarHBondContact N-O 3.33Å; Y830-M839 PolarHBondContact O-N 2.94Å; Y830-T841 VanDerWaalsContact CD2-CA 3.43Å; Y830-K842 HydrophobicContact CD1-CB 3.91Å; Y830-K842 HydrophobicContact CD1-CG 4.27Å; Y830-K842 VanDerWaalsContact CD2-N 3.27Å; Y830-K842 HydrophobicContact CE1-CB 3.72Å; Y830-K842 HydrophobicContact CE1-CD 4.27Å; Y830-K842 HydrophobicContact CE1-CG 4.18Å; Y830-K842 HydrophobicContact CE2-CB 4.4Å; Y830-K842 HydrophobicContact CG-CB 4.35Å
831	L	79.4	Confident	74.4	Confident	114 Å²	114	77.2 Å²	77.2	60%	0.597	41%	0.412	S	S	*	.			trans	-65.8	146.4	171.1	-60.5	-175.5	0	0	0	111.7	L845	L831-L845 WeakPolarHBondContact O-CD1 3.29Å; L831-L845 WeakPolarHBondContact O-CD2 3.39Å
832	C	83.4	Confident	74.3	Confident	3 Å²	3	81 Å²	81	2%	0.02	43%	0.427	C	S	.	.			trans	-85	124.3	168.4	172.9	0	0	0	0	109.1	E834 C835 G836 K837 M839 L845 H848 M849	C832-E834 VanDerWaalsContact C-N 3.33Å; C832-E834 PolarHBondContact O-N 2.95Å; C832-E834 PolarHBondContact SG-N 3.2Å; C832-C835 PolarHBondContact SG-N 2.89Å; C832-C835 PolarHBondContact SG-SG 3.17Å; C832-G836 WeakPolarHBondContact O-CA 3.45Å; C832-G836 PolarHBondContact O-N 3Å; C832-K837 HydrophobicContact CB-CB 4.3Å; C832-K837 WeakPolarHBondContact CB-O 3.46Å; C832-K837 PolarHBondContact N-O 2.78Å; C832-M839 HydrophobicContact CB-CE 4.16Å; C832-L845 HydrophobicContact CB-CD1 4.39Å; C832-H848 VanDerWaalsContact SG-CD2 3.56Å; C832-H848 PolarHBondContact SG-NE2 2.61Å; C832-M849 HydrophobicContact CB-CE 4.13Å; C832-M849 WeakPolarHBondContact SG-CE 3.37Å
833	A	77.3	Confident	74.5	Confident	101 Å²	101	81.9 Å²	81.9	84%	0.835	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.4	176.9	0	0	0	0	0	112.7
834	E	75.5	Confident	74.7	Confident	102 Å²	102	79.6 Å²	79.6	48%	0.477	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-21.6	-171.5	-65	177.1	-130.2	0	0	114.5	C832 H852	C832-E834 VanDerWaalsContact C-N 3.33Å; C832-E834 PolarHBondContact O-N 2.95Å; C832-E834 PolarHBondContact SG-N 3.2Å; E834-H852 VanDerWaalsContact CB-CE1 3.45Å; E834-H852 WeakPolarHBondContact CB-CE1 3.24Å; E834-H852 VanDerWaalsContact CB-ND1 3.26Å; E834-H852 WeakPolarHBondContact CB-ND1 3.31Å; E834-H852 VanDerWaalsContact OE2-CB 3.25Å; E834-H852 WeakPolarHBondContact OE2-CB 3.21Å; E834-H852 IonicContact OE2-CE1 3Å; E834-H852 IonicContact OE2-CG 2.63Å; E834-H852 VanDerWaalsContact OE2-CG 3.3Å; E834-H852 IonicContact OE2-ND1 3.24Å; E834-H852 PolarHBondContact OE2-ND1 3.28Å
835	C	78.9	Confident	75	Confident	65 Å²	65	78.4 Å²	78.4	44%	0.439	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.1	17.8	175.8	72	0	0	0	0	114.8	C832 K837 H848 H852	C832-C835 PolarHBondContact SG-N 2.89Å; C832-C835 PolarHBondContact SG-SG 3.17Å; C835-K837 PolarHBondContact O-N 2.77Å; C835-H848 PolarHBondContact SG-NE2 2.94Å; C835-H852 PolarHBondContact SG-NE2 3.31Å
836	G	76.8	Confident	75.5	Confident	53 Å²	53	82.8 Å²	82.8	55%	0.546	43%	0.432	S	S	.	.			trans	65.4	-9.4	178.8	0	0	0	0	0	116	C832 G838	C832-G836 WeakPolarHBondContact O-CA 3.45Å; C832-G836 PolarHBondContact O-N 3Å; G836-G838 PolarHBondContact O-N 3.31Å
837	K	78.8	Confident	76.2	Confident	134 Å²	134	80.3 Å²	80.3	58%	0.583	42%	0.417	S	S	*	.			trans	-69.3	99.3	-166.9	-164.2	165.9	-166.9	158.1	0	113.4	C832 C835 M839	C832-K837 HydrophobicContact CB-CB 4.3Å; C832-K837 WeakPolarHBondContact CB-O 3.46Å; C832-K837 PolarHBondContact N-O 2.78Å; C835-K837 PolarHBondContact O-N 2.77Å; K837-M839 VanDerWaalsContact O-CE 3.25Å; K837-M839 WeakPolarHBondContact O-CE 3.42Å
838	G	78.9	Confident	77.1	Confident	9 Å²	9	76 Å²	76	9%	0.093	39%	0.393	C	S	.	.			trans	-63	135.4	177.1	0	0	0	0	0	115	R828 G836	R828-G838 PolarHBondContact NH1-O 2.89Å; R828-G838 VanDerWaalsContact NH1-O 3.14Å; G836-G838 PolarHBondContact O-N 3.31Å
839	M	79.7	Confident	77.5	Confident	31 Å²	31	72.7 Å²	72.7	15%	0.153	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-126.9	155.7	176.7	-72.6	161.3	-80.2	0	0	112.4	R828 Y830 C832 K837 A844 L845 H848	R828-M839 CarbonylContact C-O 3.56Å; Y830-M839 WeakPolarHBondContact CB-O 3.26Å; Y830-M839 PolarHBondContact N-O 3.33Å; Y830-M839 PolarHBondContact O-N 2.94Å; C832-M839 HydrophobicContact CB-CE 4.16Å; K837-M839 VanDerWaalsContact O-CE 3.25Å; K837-M839 WeakPolarHBondContact O-CE 3.42Å; M839-A844 HydrophobicContact CB-CB 4.19Å; M839-A844 HydrophobicContact CG-CB 4.45Å; M839-A844 VanDerWaalsContact SD-C 3.59Å; M839-A844 HydrophobicContact SD-CB 4.19Å; M839-L845 HydrophobicContact CE-CB 4.01Å; M839-L845 HydrophobicContact CE-CD1 3.57Å; M839-L845 HydrophobicContact CE-CG 4.4Å; M839-H848 HydrophobicContact CE-CB 3.77Å; M839-H848 WeakPolarHBondContact CE-CD2 3.4Å; M839-H848 HydrophobicContact SD-CB 3.53Å; M839-H848 VanDerWaalsContact SD-CB 3.53Å
840	K	71.3	Confident	77.6	Confident	56 Å²	56	71.7 Å²	71.7	24%	0.243	37%	0.374	C	S	.	.	S	Bend	trans	-91.9	6.1	-171.7	-46.3	-159	-178.6	-164.8	0	114.7	R822 V823 D825 D826 R828	R822-K840 WeakPolarHBondContact O-CD 3.41Å; V823-K840 PolarHBondContact O-NZ 3.12Å; D825-K840 PolarHBondContact O-NZ 3.05Å; D826-K840 WeakPolarHBondContact OD1-CE 3.19Å; D826-K840 IonicContact OD1-NZ 2.83Å; D826-K840 PolarHBondContact OD1-NZ 3.02Å; R828-K840 HydrophobicContact CG-CG 4.02Å
841	T	77.5	Confident	77.4	Confident	50 Å²	50	72.2 Å²	72.2	31%	0.307	38%	0.382	S	S	.	.			trans	-150.5	147.1	170	67.5	0	0	0	0	113.3	Y830 H843 A844 L845	Y830-T841 VanDerWaalsContact CD2-CA 3.43Å; T841-H843 PolarHBondContact O-N 3.12Å; T841-A844 PolarHBondContact O-N 3.22Å; T841-A844 VanDerWaalsContact O-N 3.12Å; T841-A844 VanDerWaalsContact OG1-CB 3.29Å; T841-A844 WeakPolarHBondContact OG1-CB 3.22Å; T841-A844 PolarHBondContact OG1-N 3.36Å; T841-L845 PolarHBondContact O-N 2.93Å
842	K	77.9	Confident	77.1	Confident	136 Å²	136	69.7 Å²	69.7	59%	0.591	37%	0.367	S	S	*	.	H	α-helix	trans	-59.1	-26.9	172.5	-164.3	167.5	-175.3	169.4	0	113.3	Y830 R846	Y830-K842 HydrophobicContact CD1-CB 3.91Å; Y830-K842 HydrophobicContact CD1-CG 4.27Å; Y830-K842 VanDerWaalsContact CD2-N 3.27Å; Y830-K842 HydrophobicContact CE1-CB 3.72Å; Y830-K842 HydrophobicContact CE1-CD 4.27Å; Y830-K842 HydrophobicContact CE1-CG 4.18Å; Y830-K842 HydrophobicContact CE2-CB 4.4Å; Y830-K842 HydrophobicContact CG-CB 4.35Å; K842-R846 WeakPolarHBondContact O-CB 3.47Å; K842-R846 PolarHBondContact O-N 2.99Å
843	H	77.6	Confident	76.3	Confident	134 Å²	134	76.8 Å²	76.8	62%	0.62	40%	0.397	S	S	*	.	H	α-helix	trans	-73	-43.5	174	-174.7	93.2	0	0	0	111.9	T841 L845 R846 H847	T841-H843 PolarHBondContact O-N 3.12Å; H843-L845 VanDerWaalsContact C-N 3.35Å; H843-R846 PolarHBondContact O-N 3.4Å; H843-H847 WeakPolarHBondContact O-CB 3.46Å; H843-H847 PolarHBondContact O-N 3.48Å
844	A	76.6	Confident	75.6	Confident	36 Å²	36	74.1 Å²	74.1	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-44	174	0	0	0	0	0	111	M839 T841 H847 H848	M839-A844 HydrophobicContact CB-CB 4.19Å; M839-A844 HydrophobicContact CG-CB 4.45Å; M839-A844 VanDerWaalsContact SD-C 3.59Å; M839-A844 HydrophobicContact SD-CB 4.19Å; T841-A844 PolarHBondContact O-N 3.22Å; T841-A844 VanDerWaalsContact O-N 3.12Å; T841-A844 VanDerWaalsContact OG1-CB 3.29Å; T841-A844 WeakPolarHBondContact OG1-CB 3.22Å; T841-A844 PolarHBondContact OG1-N 3.36Å; A844-H847 PolarHBondContact O-N 3.17Å; A844-H848 WeakPolarHBondContact O-CB 3.44Å; A844-H848 PolarHBondContact O-N 3.32Å
845	L	80.8	Confident	74.5	Confident	31 Å²	31	73.1 Å²	73.1	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-58.4	-52.3	173.1	173.6	60.2	0	0	0	111.6	L831 C832 M839 T841 H843 H847 H848 M849	L831-L845 WeakPolarHBondContact O-CD1 3.29Å; L831-L845 WeakPolarHBondContact O-CD2 3.39Å; C832-L845 HydrophobicContact CB-CD1 4.39Å; M839-L845 HydrophobicContact CE-CB 4.01Å; M839-L845 HydrophobicContact CE-CD1 3.57Å; M839-L845 HydrophobicContact CE-CG 4.4Å; T841-L845 PolarHBondContact O-N 2.93Å; H843-L845 VanDerWaalsContact C-N 3.35Å; L845-H847 PolarHBondContact O-N 3.14Å; L845-H848 PolarHBondContact O-N 2.81Å; L845-M849 HydrophobicContact CD1-CE 4.08Å; L845-M849 HydrophobicContact CD1-CG 3.88Å; L845-M849 HydrophobicContact CD1-SD 4.2Å; L845-M849 HydrophobicContact CG-CG 4.29Å; L845-M849 VanDerWaalsContact O-CG 3.27Å; L845-M849 WeakPolarHBondContact O-CG 3.46Å; L845-M849 PolarHBondContact O-N 3.46Å
846	R	79.3	Confident	73.6	Confident	159 Å²	159	74.6 Å²	74.6	60%	0.6	38%	0.375	S	S	*	.	H	α-helix	trans	-57	-37.2	177.7	-171.3	-172.3	-66.6	152.7	-4.6	112.5	K842 H843 K850	K842-R846 WeakPolarHBondContact O-CB 3.47Å; K842-R846 PolarHBondContact O-N 2.99Å; H843-R846 PolarHBondContact O-N 3.4Å; R846-K850 PolarHBondContact O-N 3.12Å
847	H	75.6	Confident	73.2	Confident	51 Å²	51	75.9 Å²	75.9	24%	0.236	37%	0.367	C	S	.	.	H	α-helix	trans	-68.3	-42.6	174.5	-176.2	-68.3	0	0	0	112	H843 A844 L845 M849 K850 L851 Q869	H843-H847 WeakPolarHBondContact O-CB 3.46Å; H843-H847 PolarHBondContact O-N 3.48Å; A844-H847 PolarHBondContact O-N 3.17Å; L845-H847 PolarHBondContact O-N 3.14Å; H847-M849 VanDerWaalsContact C-N 3.34Å; H847-K850 WeakPolarHBondContact O-CB 3.45Å; H847-K850 PolarHBondContact O-N 3.05Å; H847-K850 VanDerWaalsContact O-N 3.1Å; H847-L851 PolarHBondContact O-N 2.72Å; H847-Q869 PolarHBondContact CE1-NE2 3.01Å; H847-Q869 WeakPolarHBondContact NE2-CG 3.5Å; H847-Q869 PolarHBondContact NE2-NE2 2.65Å
848	H	80.4	Confident	72.9	Confident	29 Å²	29	72.6 Å²	72.6	13%	0.134	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-37.5	177.5	178.2	60	0	0	0	112.1	C832 C835 M839 A844 L845 K850 L851 H852	C832-H848 VanDerWaalsContact SG-CD2 3.56Å; C832-H848 PolarHBondContact SG-NE2 2.61Å; C835-H848 PolarHBondContact SG-NE2 2.94Å; M839-H848 HydrophobicContact CE-CB 3.77Å; M839-H848 WeakPolarHBondContact CE-CD2 3.4Å; M839-H848 HydrophobicContact SD-CB 3.53Å; M839-H848 VanDerWaalsContact SD-CB 3.53Å; A844-H848 WeakPolarHBondContact O-CB 3.44Å; A844-H848 PolarHBondContact O-N 3.32Å; L845-H848 PolarHBondContact O-N 2.81Å; H848-K850 PolarHBondContact O-N 2.77Å; H848-L851 WeakPolarHBondContact O-CA 3.43Å; H848-L851 VanDerWaalsContact O-CB 3.3Å; H848-L851 WeakPolarHBondContact O-CB 3.33Å; H848-L851 PolarHBondContact O-N 2.92Å; H848-H852 AromaticContact CD2-CD2 3.92Å; H848-H852 AromaticContact CE1-CD2 3.47Å; H848-H852 PolarHBondContact CE1-CD2 3.35Å; H848-H852 VanDerWaalsContact CE1-CD2 3.47Å; H848-H852 AromaticContact CE1-NE2 3.37Å; H848-H852 PolarHBondContact CE1-NE2 3.08Å; H848-H852 AromaticContact ND1-CD2 3.91Å; H848-H852 AromaticContact NE2-CD2 3.53Å; H848-H852 AromaticContact NE2-NE2 3.36Å; H848-H852 PolarHBondContact NE2-NE2 3.49Å; H848-H852 PolarHBondContact O-N 3.33Å
849	M	76.2	Confident	73	Confident	43 Å²	43	76 Å²	76	21%	0.212	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-29.3	170	-62.6	-70.8	89.4	0	0	113.2	C832 L845 H847 H852 K853	C832-M849 HydrophobicContact CB-CE 4.13Å; C832-M849 WeakPolarHBondContact SG-CE 3.37Å; L845-M849 HydrophobicContact CD1-CE 4.08Å; L845-M849 HydrophobicContact CD1-CG 3.88Å; L845-M849 HydrophobicContact CD1-SD 4.2Å; L845-M849 HydrophobicContact CG-CG 4.29Å; L845-M849 VanDerWaalsContact O-CG 3.27Å; L845-M849 WeakPolarHBondContact O-CG 3.46Å; L845-M849 PolarHBondContact O-N 3.46Å; H847-M849 VanDerWaalsContact C-N 3.34Å; M849-H852 HydrophobicContact CE-CB 4.37Å; M849-K853 WeakPolarHBondContact O-CG 3.43Å; M849-K853 PolarHBondContact O-N 2.92Å
850	K	74.4	Confident	73.1	Confident	86 Å²	86	74.6 Å²	74.6	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-73.7	-23.7	170.6	-72.9	-163	171.3	-159.2	0	114.1	R846 H847 H848 I855 E857	R846-K850 PolarHBondContact O-N 3.12Å; H847-K850 WeakPolarHBondContact O-CB 3.45Å; H847-K850 PolarHBondContact O-N 3.05Å; H847-K850 VanDerWaalsContact O-N 3.1Å; H848-K850 PolarHBondContact O-N 2.77Å; K850-I855 PolarHBondContact O-N 2.76Å; K850-E857 IonicContact NZ-OE1 3.92Å; K850-E857 PolarHBondContact NZ-OE1 3.39Å
851	L	69.9	Low	73.3	Confident	94 Å²	94	80.3 Å²	80.3	49%	0.492	38%	0.383	S	S	.	.	H	α-helix	trans	-73.1	-44.7	171.2	-60.4	171.9	0	0	0	110.1	H847 H848 G854 A868	H847-L851 PolarHBondContact O-N 2.72Å; H848-L851 WeakPolarHBondContact O-CA 3.43Å; H848-L851 VanDerWaalsContact O-CB 3.3Å; H848-L851 WeakPolarHBondContact O-CB 3.33Å; H848-L851 PolarHBondContact O-N 2.92Å; L851-G854 PolarHBondContact O-N 3.09Å; L851-A868 HydrophobicContact CD2-CB 3.49Å; L851-A868 VanDerWaalsContact CD2-CB 3.49Å
852	H	71.7	Confident	73.2	Confident	61 Å²	61	83.1 Å²	83.1	28%	0.282	39%	0.393	S	S	.	.	H	α-helix	trans	-58.4	-53.4	177.3	-96.2	-82.8	0	0	0	113	E834 C835 H848 M849 G854	E834-H852 VanDerWaalsContact CB-CE1 3.45Å; E834-H852 WeakPolarHBondContact CB-CE1 3.24Å; E834-H852 VanDerWaalsContact CB-ND1 3.26Å; E834-H852 WeakPolarHBondContact CB-ND1 3.31Å; E834-H852 VanDerWaalsContact OE2-CB 3.25Å; E834-H852 WeakPolarHBondContact OE2-CB 3.21Å; E834-H852 IonicContact OE2-CE1 3Å; E834-H852 IonicContact OE2-CG 2.63Å; E834-H852 VanDerWaalsContact OE2-CG 3.3Å; E834-H852 IonicContact OE2-ND1 3.24Å; E834-H852 PolarHBondContact OE2-ND1 3.28Å; C835-H852 PolarHBondContact SG-NE2 3.31Å; H848-H852 AromaticContact CD2-CD2 3.92Å; H848-H852 AromaticContact CE1-CD2 3.47Å; H848-H852 PolarHBondContact CE1-CD2 3.35Å; H848-H852 VanDerWaalsContact CE1-CD2 3.47Å; H848-H852 AromaticContact CE1-NE2 3.37Å; H848-H852 PolarHBondContact CE1-NE2 3.08Å; H848-H852 AromaticContact ND1-CD2 3.91Å; H848-H852 AromaticContact NE2-CD2 3.53Å; H848-H852 AromaticContact NE2-NE2 3.36Å; H848-H852 PolarHBondContact NE2-NE2 3.49Å; H848-H852 PolarHBondContact O-N 3.33Å; M849-H852 HydrophobicContact CE-CB 4.37Å; H852-G854 PolarHBondContact O-N 2.73Å
853	K	67.3	Low	73.1	Confident	151 Å²	151	79 Å²	79	66%	0.657	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	15.9	178.1	-64.2	-164	175.6	-150.8	0	115.2	M849 I855	M849-K853 WeakPolarHBondContact O-CG 3.43Å; M849-K853 PolarHBondContact O-N 2.92Å; K853-I855 HydrophobicContact CB-CD1 4.16Å; K853-I855 HydrophobicContact CB-CG1 3.92Å; K853-I855 WeakPolarHBondContact O-CG1 3.35Å; K853-I855 PolarHBondContact O-N 2.8Å
854	G	61.9	Low	73.1	Confident	45 Å²	45	77.7 Å²	77.7	46%	0.464	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	5	174.3	0	0	0	0	0	116.2	L851 H852 K856	L851-G854 PolarHBondContact O-N 3.09Å; H852-G854 PolarHBondContact O-N 2.73Å; G854-K856 VanDerWaalsContact C-N 3.26Å; G854-K856 WeakPolarHBondContact O-CG 3.49Å; G854-K856 PolarHBondContact O-N 3.18Å
855	I	52.8	Low	73.1	Confident	82 Å²	82	83.7 Å²	83.7	42%	0.421	39%	0.393	S	S	.	.			trans	-76.2	77.2	-168.8	-38.5	-175.9	0	0	0	110.5	K850 K853 E857	K850-I855 PolarHBondContact O-N 2.76Å; K853-I855 HydrophobicContact CB-CD1 4.16Å; K853-I855 HydrophobicContact CB-CG1 3.92Å; K853-I855 WeakPolarHBondContact O-CG1 3.35Å; K853-I855 PolarHBondContact O-N 2.8Å; I855-E857 HydrophobicContact CG2-CG 3.73Å; I855-E857 PolarHBondContact O-N 2.97Å
856	K	60.8	Low	73	Confident	96 Å²	96	88 Å²	88	42%	0.417	41%	0.41	S	S	.	.			trans	-74.2	58	177.5	-63.6	160.7	180	166.9	0	110.1	G854 Y858 K866 F867 D978	G854-K856 VanDerWaalsContact C-N 3.26Å; G854-K856 WeakPolarHBondContact O-CG 3.49Å; G854-K856 PolarHBondContact O-N 3.18Å; K856-Y858 PolarHBondContact O-N 3.06Å; K856-K866 HydrophobicContact CB-CB 3.48Å; K856-K866 VanDerWaalsContact CB-CB 3.48Å; K856-K866 HydrophobicContact CD-CB 4.37Å; K856-K866 HydrophobicContact CG-CB 4.43Å; K856-F867 CarbonylContact C-O 3.5Å; K856-F867 VanDerWaalsContact C-O 3.3Å; K856-D978 IonicContact NZ-OD2 2.69Å; K856-D978 PolarHBondContact NZ-OD2 3.45Å
857	E	68.2	Low	73	Confident	79 Å²	79	82.6 Å²	82.6	37%	0.369	39%	0.391	S	S	.	.			trans	-47.4	-26.7	-171.8	-73	177.3	-169	0	0	116.8	K850 I855 F867	K850-E857 IonicContact NZ-OE1 3.92Å; K850-E857 PolarHBondContact NZ-OE1 3.39Å; I855-E857 HydrophobicContact CG2-CG 3.73Å; I855-E857 PolarHBondContact O-N 2.97Å; E857-F867 PolarHBondContact N-O 3.44Å
858	Y	71.9	Confident	72.8	Confident	66 Å²	66	81.1 Å²	81.1	26%	0.259	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	95.5	-168.7	-56.5	-76.7	0	0	0	111.7	K856 F867 Q869 K870	K856-Y858 PolarHBondContact O-N 3.06Å; Y858-F867 WeakPolarHBondContact CB-O 3.45Å; Y858-F867 PolarHBondContact N-O 3.08Å; Y858-F867 WeakPolarHBondContact O-CD2 3.42Å; Y858-F867 PolarHBondContact O-N 3.03Å; Y858-Q869 VanDerWaalsContact CD2-C 3.47Å; Y858-K870 HydrophobicContact CD1-CB 3.59Å; Y858-K870 HydrophobicContact CD1-CD 3.99Å; Y858-K870 HydrophobicContact CD1-CG 3.72Å; Y858-K870 HydrophobicContact CD2-CB 4.04Å; Y858-K870 HydrophobicContact CE1-CB 3.69Å; Y858-K870 HydrophobicContact CE1-CD 3.78Å; Y858-K870 HydrophobicContact CE1-CG 3.95Å; Y858-K870 HydrophobicContact CE2-CB 4.12Å; Y858-K870 HydrophobicContact CG-CB 3.79Å; Y858-K870 HydrophobicContact CG-CG 4.3Å
859	E	81.6	Confident	72.4	Confident	81 Å²	81	83 Å²	83	38%	0.379	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.8	175.7	-170	160.3	180	0	0	112.6	N864 K866	E859-N864 WeakPolarHBondContact OE1-CA 3.44Å; E859-N864 WeakPolarHBondContact OE1-CB 3.49Å; E859-K866 HydrophobicContact CB-CG 4.21Å; E859-K866 HydrophobicContact CG-CG 4.04Å; E859-K866 VanDerWaalsContact OE2-CE 3.28Å; E859-K866 WeakPolarHBondContact OE2-CE 3.38Å
860	C	81.6	Confident	72.5	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	40%	0.401	C	S	.	.			trans	-90.5	108.9	172.9	-175.2	0	0	0	0	111.1	E862 C863 N864 R865 F867 M873 H876 H880	C860-E862 PolarHBondContact O-N 3.12Å; C860-C863 PolarHBondContact O-N 3.29Å; C860-N864 WeakPolarHBondContact O-CA 3.39Å; C860-N864 PolarHBondContact O-N 3.18Å; C860-R865 PolarHBondContact N-O 3.47Å; C860-F867 HydrophobicContact CB-CE2 4.18Å; C860-M873 HydrophobicContact CB-CG 4.21Å; C860-H876 PolarHBondContact SG-CD2 2.9Å; C860-H880 PolarHBondContact SG-CD2 3.25Å
861	K	75.3	Confident	72.6	Confident	176 Å²	176	84.6 Å²	84.6	77%	0.765	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.6	-176	-63.4	-158.7	172.6	-156.4	0	116.4
862	E	75.5	Confident	73	Confident	110 Å²	110	83.2 Å²	83.2	51%	0.514	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.5	-179.2	-47.3	-56.1	133	0	0	113.4	C860 F877 H880	C860-E862 PolarHBondContact O-N 3.12Å; E862-F877 HydrophobicContact CG-CD2 3.88Å; E862-F877 HydrophobicContact CG-CE2 3.62Å; E862-F877 WeakPolarHBondContact OE1-CE2 3.48Å; E862-H880 HydrophobicContact CB-CB 4.1Å; E862-H880 HydrophobicContact CG-CB 3.96Å
863	C	75.9	Confident	73.6	Confident	49 Å²	49	81.9 Å²	81.9	33%	0.331	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.7	17.5	-179	80	0	0	0	0	114.9	C860 R865 H876 H880	C860-C863 PolarHBondContact O-N 3.29Å; C863-R865 PolarHBondContact O-N 2.9Å; C863-H876 PolarHBondContact SG-NE2 3.44Å; C863-H880 PolarHBondContact SG-NE2 3.5Å
864	N	78	Confident	74.2	Confident	106 Å²	106	78.5 Å²	78.5	57%	0.567	39%	0.386	S	S	*	.			trans	51.1	14.5	176.1	-61.8	-2	0	0	0	117	E859 C860 K866	E859-N864 WeakPolarHBondContact OE1-CA 3.44Å; E859-N864 WeakPolarHBondContact OE1-CB 3.49Å; C860-N864 WeakPolarHBondContact O-CA 3.39Å; C860-N864 PolarHBondContact O-N 3.18Å; N864-K866 PolarHBondContact O-N 2.8Å
865	R	75.7	Confident	74.9	Confident	162 Å²	162	81.3 Å²	81.3	61%	0.611	39%	0.385	S	S	*	.			trans	-73.3	121.9	175.5	-67.9	-175.7	83.3	142.5	9.3	109.1	C860 C863 F867	C860-R865 PolarHBondContact N-O 3.47Å; C863-R865 PolarHBondContact O-N 2.9Å; R865-F867 HydrophobicContact CB-CE2 3.94Å; R865-F867 HydrophobicContact CB-CZ 4.1Å; R865-F867 VanDerWaalsContact O-CD2 3.24Å; R865-F867 WeakPolarHBondContact O-CD2 3.28Å; R865-F867 WeakPolarHBondContact O-CE2 3.41Å
866	K	79.1	Confident	76.2	Confident	121 Å²	121	78.3 Å²	78.3	53%	0.526	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.1	-176.8	-55.9	-177.1	179.7	174.3	0	110.5	K856 E859 N864	K856-K866 HydrophobicContact CB-CB 3.48Å; K856-K866 VanDerWaalsContact CB-CB 3.48Å; K856-K866 HydrophobicContact CD-CB 4.37Å; K856-K866 HydrophobicContact CG-CB 4.43Å; E859-K866 HydrophobicContact CB-CG 4.21Å; E859-K866 HydrophobicContact CG-CG 4.04Å; E859-K866 VanDerWaalsContact OE2-CE 3.28Å; E859-K866 WeakPolarHBondContact OE2-CE 3.38Å; N864-K866 PolarHBondContact O-N 2.8Å
867	F	78.8	Confident	76.9	Confident	47 Å²	47	75.1 Å²	75.1	21%	0.206	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.2	-178.4	-60.7	-90.7	0	0	0	111	K856 E857 Y858 C860 R865 Q869 N872 M873 H876	K856-F867 CarbonylContact C-O 3.5Å; K856-F867 VanDerWaalsContact C-O 3.3Å; E857-F867 PolarHBondContact N-O 3.44Å; Y858-F867 WeakPolarHBondContact CB-O 3.45Å; Y858-F867 PolarHBondContact N-O 3.08Å; Y858-F867 WeakPolarHBondContact O-CD2 3.42Å; Y858-F867 PolarHBondContact O-N 3.03Å; C860-F867 HydrophobicContact CB-CE2 4.18Å; R865-F867 HydrophobicContact CB-CE2 3.94Å; R865-F867 HydrophobicContact CB-CZ 4.1Å; R865-F867 VanDerWaalsContact O-CD2 3.24Å; R865-F867 WeakPolarHBondContact O-CD2 3.28Å; R865-F867 WeakPolarHBondContact O-CE2 3.41Å; F867-Q869 PolarHBondContact O-N 3.27Å; F867-N872 HydrophobicContact CD1-CB 4.44Å; F867-M873 HydrophobicContact CB-CB 4.08Å; F867-M873 HydrophobicContact CD2-CB 3.75Å; F867-M873 HydrophobicContact CD2-CG 3.96Å; F867-M873 HydrophobicContact CG-CB 4.11Å; F867-H876 HydrophobicContact CE1-CB 4.27Å; F867-H876 HydrophobicContact CE2-CB 4.04Å; F867-H876 AromaticContact CE2-CD2 3.68Å; F867-H876 AromaticContact CE2-CG 3.72Å; F867-H876 HydrophobicContact CZ-CB 3.71Å; F867-H876 AromaticContact CZ-CD2 3.76Å; F867-H876 AromaticContact CZ-CE1 3.76Å; F867-H876 AromaticContact CZ-CG 3.37Å; F867-H876 AromaticContact CZ-ND1 3.39Å; F867-H876 WeakPolarHBondContact CZ-ND1 3.49Å; F867-H876 AromaticContact CZ-NE2 3.99Å
868	A	71.2	Confident	77.2	Confident	20 Å²	20	75 Å²	75	17%	0.165	35%	0.354	C	S	.	.	S	Bend	trans	-72.8	-7.9	174.6	0	0	0	0	0	114.6	L851	L851-A868 HydrophobicContact CD2-CB 3.49Å; L851-A868 VanDerWaalsContact CD2-CB 3.49Å
869	Q	73.3	Confident	77.2	Confident	68 Å²	68	79.4 Å²	79.4	32%	0.318	37%	0.37	S	S	.	.			trans	-130.8	127.1	177.6	-77.2	-171.9	-9.8	0	0	112.1	H847 Y858 F867 V871 N872 M873	H847-Q869 PolarHBondContact CE1-NE2 3.01Å; H847-Q869 WeakPolarHBondContact NE2-CG 3.5Å; H847-Q869 PolarHBondContact NE2-NE2 2.65Å; Y858-Q869 VanDerWaalsContact CD2-C 3.47Å; F867-Q869 PolarHBondContact O-N 3.27Å; Q869-V871 PolarHBondContact O-N 3.05Å; Q869-N872 HydrophobicContact CB-CB 4.16Å; Q869-N872 PolarHBondContact O-N 2.88Å; Q869-N872 PolarHBondContact OE1-ND2 3.13Å; Q869-M873 PolarHBondContact O-N 3.23Å
870	K	77.9	Confident	76.7	Confident	71 Å²	71	79.2 Å²	79.2	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-56.3	-33.3	173.2	-164.3	166.9	-171.6	160.2	0	113	Y645 Y858 M873 L874	Y645-K870 PolarHBondContact OH-NZ 3.17Å; Y858-K870 HydrophobicContact CD1-CB 3.59Å; Y858-K870 HydrophobicContact CD1-CD 3.99Å; Y858-K870 HydrophobicContact CD1-CG 3.72Å; Y858-K870 HydrophobicContact CD2-CB 4.04Å; Y858-K870 HydrophobicContact CE1-CB 3.69Å; Y858-K870 HydrophobicContact CE1-CD 3.78Å; Y858-K870 HydrophobicContact CE1-CG 3.95Å; Y858-K870 HydrophobicContact CE2-CB 4.12Å; Y858-K870 HydrophobicContact CG-CB 3.79Å; Y858-K870 HydrophobicContact CG-CG 4.3Å; K870-M873 HydrophobicContact CG-CE 4.48Å; K870-L874 VanDerWaalsContact O-CB 3.27Å; K870-L874 WeakPolarHBondContact O-CB 3.49Å; K870-L874 PolarHBondContact O-N 3.33Å
871	V	77.1	Confident	76	Confident	92 Å²	92	82.1 Å²	82.1	56%	0.558	39%	0.387	S	S	*	.	H	α-helix	trans	-65.8	-41	176.1	179.8	0	0	0	0	111.3	Q869 L874 K875	Q869-V871 PolarHBondContact O-N 3.05Å; V871-L874 PolarHBondContact O-N 3.48Å; V871-K875 WeakPolarHBondContact O-CG 3.39Å; V871-K875 PolarHBondContact O-N 3.45Å
872	N	77.9	Confident	75.4	Confident	64 Å²	64	76 Å²	76	34%	0.342	37%	0.374	S	S	.	.	H	α-helix	trans	-77.1	-36.2	-179.8	-64.2	-20	0	0	0	111.5	F867 Q869 L874 K875 H876	F867-N872 HydrophobicContact CD1-CB 4.44Å; Q869-N872 HydrophobicContact CB-CB 4.16Å; Q869-N872 PolarHBondContact O-N 2.88Å; Q869-N872 PolarHBondContact OE1-ND2 3.13Å; N872-L874 VanDerWaalsContact C-N 3.32Å; N872-L874 PolarHBondContact O-N 3.2Å; N872-K875 PolarHBondContact O-N 3.36Å; N872-H876 VanDerWaalsContact O-CB 3.26Å; N872-H876 WeakPolarHBondContact O-CB 3.49Å; N872-H876 PolarHBondContact O-N 3.22Å
873	M	84.8	Confident	74.7	Confident	33 Å²	33	74 Å²	74	16%	0.163	37%	0.369	C	S	.	.	H	α-helix	trans	-58.5	-43.9	167.3	-175.1	-83.9	-78.7	0	0	111.2	C860 F867 Q869 K870 H876 F877	C860-M873 HydrophobicContact CB-CG 4.21Å; F867-M873 HydrophobicContact CB-CB 4.08Å; F867-M873 HydrophobicContact CD2-CB 3.75Å; F867-M873 HydrophobicContact CD2-CG 3.96Å; F867-M873 HydrophobicContact CG-CB 4.11Å; Q869-M873 PolarHBondContact O-N 3.23Å; K870-M873 HydrophobicContact CG-CE 4.48Å; M873-H876 CarbonylContact O-C 3.56Å; M873-H876 WeakPolarHBondContact O-CB 3.47Å; M873-H876 PolarHBondContact O-N 3.44Å; M873-F877 WeakPolarHBondContact O-CB 3.5Å; M873-F877 PolarHBondContact O-N 2.97Å; M873-F877 HydrophobicContact SD-CB 4.41Å
874	L	78.5	Confident	74.3	Confident	81 Å²	81	77 Å²	77	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-39.2	179.9	-174.4	61.8	0	0	0	113	K870 V871 N872 H876 F877 K878	K870-L874 VanDerWaalsContact O-CB 3.27Å; K870-L874 WeakPolarHBondContact O-CB 3.49Å; K870-L874 PolarHBondContact O-N 3.33Å; V871-L874 PolarHBondContact O-N 3.48Å; N872-L874 VanDerWaalsContact C-N 3.32Å; N872-L874 PolarHBondContact O-N 3.2Å; L874-H876 VanDerWaalsContact C-N 3.31Å; L874-F877 HydrophobicContact CD1-CD1 4.42Å; L874-F877 PolarHBondContact O-N 3.15Å; L874-K878 PolarHBondContact O-N 2.73Å
875	K	76.7	Confident	74	Confident	103 Å²	103	76.1 Å²	76.1	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-59.3	-42.9	169.8	-76.1	173.6	170.2	-170.6	0	111.7	V871 N872 K878 E897	V871-K875 WeakPolarHBondContact O-CG 3.39Å; V871-K875 PolarHBondContact O-N 3.45Å; N872-K875 PolarHBondContact O-N 3.36Å; K875-K878 PolarHBondContact O-N 2.77Å; K875-E897 WeakPolarHBondContact CD-OE1 3.24Å
876	H	80	Confident	73.8	Confident	19 Å²	19	71 Å²	71	9%	0.088	35%	0.354	C	S	.	.	H	α-helix	trans	-66.5	-41.9	176.4	173.8	97.2	0	0	0	111.9	C860 C863 F867 N872 M873 L874 K878 R879 H880	C860-H876 PolarHBondContact SG-CD2 2.9Å; C863-H876 PolarHBondContact SG-NE2 3.44Å; F867-H876 HydrophobicContact CE1-CB 4.27Å; F867-H876 HydrophobicContact CE2-CB 4.04Å; F867-H876 AromaticContact CE2-CD2 3.68Å; F867-H876 AromaticContact CE2-CG 3.72Å; F867-H876 HydrophobicContact CZ-CB 3.71Å; F867-H876 AromaticContact CZ-CD2 3.76Å; F867-H876 AromaticContact CZ-CE1 3.76Å; F867-H876 AromaticContact CZ-CG 3.37Å; F867-H876 AromaticContact CZ-ND1 3.39Å; F867-H876 WeakPolarHBondContact CZ-ND1 3.49Å; F867-H876 AromaticContact CZ-NE2 3.99Å; N872-H876 VanDerWaalsContact O-CB 3.26Å; N872-H876 WeakPolarHBondContact O-CB 3.49Å; N872-H876 PolarHBondContact O-N 3.22Å; M873-H876 CarbonylContact O-C 3.56Å; M873-H876 WeakPolarHBondContact O-CB 3.47Å; M873-H876 PolarHBondContact O-N 3.44Å; L874-H876 VanDerWaalsContact C-N 3.31Å; H876-K878 VanDerWaalsContact C-N 3.32Å; H876-K878 PolarHBondContact O-N 2.98Å; H876-R879 PolarHBondContact CE1-NH2 3.19Å; H876-R879 PolarHBondContact ND1-NH2 3.2Å; H876-R879 VanDerWaalsContact ND1-NH2 3.19Å; H876-R879 WeakPolarHBondContact O-CB 3.36Å; H876-R879 PolarHBondContact O-N 3.21Å; H876-H880 AromaticContact CD2-CD2 3.9Å; H876-H880 AromaticContact CD2-NE2 3.62Å; H876-H880 AromaticContact CE1-NE2 3.9Å; H876-H880 AromaticContact NE2-CD2 3.81Å; H876-H880 AromaticContact NE2-CE1 3.99Å; H876-H880 AromaticContact NE2-NE2 3.05Å; H876-H880 PolarHBondContact NE2-NE2 3.33Å
877	F	76.1	Confident	73.7	Confident	30 Å²	30	70.6 Å²	70.6	13%	0.132	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-37.5	175.8	-177.9	-102.6	0	0	0	112.2	E862 M873 L874 R879 H880 T881	E862-F877 HydrophobicContact CG-CD2 3.88Å; E862-F877 HydrophobicContact CG-CE2 3.62Å; E862-F877 WeakPolarHBondContact OE1-CE2 3.48Å; M873-F877 WeakPolarHBondContact O-CB 3.5Å; M873-F877 PolarHBondContact O-N 2.97Å; M873-F877 HydrophobicContact SD-CB 4.41Å; L874-F877 HydrophobicContact CD1-CD1 4.42Å; L874-F877 PolarHBondContact O-N 3.15Å; F877-R879 PolarHBondContact O-N 3.05Å; F877-R879 VanDerWaalsContact O-N 3.12Å; F877-H880 PolarHBondContact O-N 3.05Å; F877-T881 HydrophobicContact CD1-CG2 4Å; F877-T881 HydrophobicContact CE1-CG2 3.45Å; F877-T881 VanDerWaalsContact CE1-CG2 3.45Å; F877-T881 HydrophobicContact CE2-CG2 4.26Å; F877-T881 HydrophobicContact CZ-CG2 3.59Å; F877-T881 PolarHBondContact O-N 3.27Å; F877-T881 VanDerWaalsContact O-N 3.09Å
878	K	75.2	Confident	73.7	Confident	75 Å²	75	68.4 Å²	68.4	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-20.9	170.7	-80.2	-162	171.5	-162.7	0	114.6	L874 K875 H876 D885	L874-K878 PolarHBondContact O-N 2.73Å; K875-K878 PolarHBondContact O-N 2.77Å; H876-K878 VanDerWaalsContact C-N 3.32Å; H876-K878 PolarHBondContact O-N 2.98Å; K878-D885 IonicContact NZ-OD2 3.3Å; K878-D885 PolarHBondContact NZ-OD2 2.87Å
879	R	71.2	Confident	73.9	Confident	160 Å²	160	74.4 Å²	74.4	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-77.3	-33.4	173.8	-171.1	174.1	61.7	-176.2	3.8	112.1	H876 F877	H876-R879 PolarHBondContact CE1-NH2 3.19Å; H876-R879 PolarHBondContact ND1-NH2 3.2Å; H876-R879 VanDerWaalsContact ND1-NH2 3.19Å; H876-R879 WeakPolarHBondContact O-CB 3.36Å; H876-R879 PolarHBondContact O-N 3.21Å; F877-R879 PolarHBondContact O-N 3.05Å; F877-R879 VanDerWaalsContact O-N 3.12Å
880	H	70.8	Confident	73.9	Confident	76 Å²	76	75.8 Å²	75.8	35%	0.352	38%	0.379	S	S	.	.	H	α-helix	trans	-74.7	-43.6	176	-64.2	-57.6	0	0	0	111.8	C860 E862 C863 H876 F877 G882	C860-H880 PolarHBondContact SG-CD2 3.25Å; E862-H880 HydrophobicContact CB-CB 4.1Å; E862-H880 HydrophobicContact CG-CB 3.96Å; C863-H880 PolarHBondContact SG-NE2 3.5Å; H876-H880 AromaticContact CD2-CD2 3.9Å; H876-H880 AromaticContact CD2-NE2 3.62Å; H876-H880 AromaticContact CE1-NE2 3.9Å; H876-H880 AromaticContact NE2-CD2 3.81Å; H876-H880 AromaticContact NE2-CE1 3.99Å; H876-H880 AromaticContact NE2-NE2 3.05Å; H876-H880 PolarHBondContact NE2-NE2 3.33Å; F877-H880 PolarHBondContact O-N 3.05Å; H880-G882 PolarHBondContact O-N 3.06Å; H880-G882 VanDerWaalsContact O-N 3.13Å
881	T	67.4	Low	73.5	Confident	62 Å²	62	74.8 Å²	74.8	38%	0.38	38%	0.381	S	S	.	.	S	Bend	trans	-70.9	-5.8	178.1	62.5	0	0	0	0	114	F877 V883	F877-T881 HydrophobicContact CD1-CG2 4Å; F877-T881 HydrophobicContact CE1-CG2 3.45Å; F877-T881 VanDerWaalsContact CE1-CG2 3.45Å; F877-T881 HydrophobicContact CE2-CG2 4.26Å; F877-T881 HydrophobicContact CZ-CG2 3.59Å; F877-T881 PolarHBondContact O-N 3.27Å; F877-T881 VanDerWaalsContact O-N 3.09Å; T881-V883 PolarHBondContact O-N 2.82Å
882	G	63	Low	73.2	Confident	47 Å²	47	72.4 Å²	72.4	49%	0.485	37%	0.374	S	S	.	.			trans	65.2	4.8	179.8	0	0	0	0	0	115.1	H880 K884	H880-G882 PolarHBondContact O-N 3.06Å; H880-G882 VanDerWaalsContact O-N 3.13Å; G882-K884 WeakPolarHBondContact O-CG 3.36Å; G882-K884 PolarHBondContact O-N 2.96Å
883	V	60.3	Low	73	Confident	68 Å²	68	74.5 Å²	74.5	41%	0.412	38%	0.38	S	S	.	.			trans	-72.6	95.7	-173.5	-179.6	0	0	0	0	110.2	T881 D885	T881-V883 PolarHBondContact O-N 2.82Å; V883-D885 WeakPolarHBondContact CG1-OD1 3.24Å; V883-D885 PolarHBondContact O-N 2.98Å
884	K	67.8	Low	72.6	Confident	112 Å²	112	75.3 Å²	75.3	49%	0.487	39%	0.387	S	S	.	.			trans	-99.3	80.6	-178.9	-70.8	165.8	156.2	-144.5	0	111	G882 F886 T894 F895	G882-K884 WeakPolarHBondContact O-CG 3.36Å; G882-K884 PolarHBondContact O-N 2.96Å; K884-F886 PolarHBondContact O-N 2.88Å; K884-F886 VanDerWaalsContact O-N 3.12Å; K884-T894 WeakPolarHBondContact CD-O 3.39Å; K884-T894 WeakPolarHBondContact CD-OG1 3.14Å; K884-T894 WeakPolarHBondContact CE-O 3.43Å; K884-T894 PolarHBondContact NZ-O 3.32Å; K884-F895 CarbonylContact C-O 3.57Å; K884-F895 VanDerWaalsContact C-O 3.25Å; K884-F895 VanDerWaalsContact CA-O 3.27Å; K884-F895 WeakPolarHBondContact CA-O 3.49Å
885	D	72.3	Confident	72.5	Confident	87 Å²	87	73.4 Å²	73.4	47%	0.465	38%	0.376	S	S	.	.			trans	-60.3	-19.4	-175.9	-59.8	-52.2	0	0	0	114.8	K878 V883 F895	K878-D885 IonicContact NZ-OD2 3.3Å; K878-D885 PolarHBondContact NZ-OD2 2.87Å; V883-D885 WeakPolarHBondContact CG1-OD1 3.24Å; V883-D885 PolarHBondContact O-N 2.98Å; D885-F895 PolarHBondContact N-O 3.32Å
886	F	71	Confident	72.3	Confident	56 Å²	56	70.4 Å²	70.4	25%	0.246	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102.5	-167.6	-58.1	-71.7	0	0	0	111.5	K884 T894 F895 R898 L901	K884-F886 PolarHBondContact O-N 2.88Å; K884-F886 VanDerWaalsContact O-N 3.12Å; F886-T894 WeakPolarHBondContact O-CA 3.15Å; F886-F895 HydrophobicContact CB-CB 4.33Å; F886-F895 PolarHBondContact N-O 3.3Å; F886-F895 VanDerWaalsContact N-O 3.09Å; F886-F895 PolarHBondContact O-N 3.1Å; F886-R898 HydrophobicContact CD1-CB 4.1Å; F886-R898 HydrophobicContact CD2-CB 4.45Å; F886-R898 HydrophobicContact CE1-CB 3.95Å; F886-R898 HydrophobicContact CE2-CB 4.29Å; F886-R898 HydrophobicContact CG-CB 4.36Å; F886-R898 HydrophobicContact CZ-CB 4.04Å; F886-L901 HydrophobicContact CB-CB 4.06Å; F886-L901 HydrophobicContact CB-CD2 3.79Å
887	M	77	Confident	72.1	Confident	112 Å²	112	72.3 Å²	72.3	55%	0.552	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	141	176.2	-172.3	178.1	-71.8	0	0	111.6	T894 L901	M887-T894 HydrophobicContact CB-CG2 4.06Å; M887-T894 HydrophobicContact CE-CG2 3.77Å; M887-T894 HydrophobicContact CG-CG2 4.01Å; M887-L901 WeakPolarHBondContact O-CD2 3.01Å
888	C	78.6	Confident	72.1	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.399	C	S	.	.			trans	-83.7	111.8	168.5	-170.9	0	0	0	0	110.8	L890 C891 G892 K893 F895 L901	C888-L890 PolarHBondContact O-N 3.28Å; C888-L890 VanDerWaalsContact O-N 3.09Å; C888-C891 PolarHBondContact O-N 2.96Å; C888-G892 WeakPolarHBondContact O-CA 3.4Å; C888-G892 PolarHBondContact O-N 2.84Å; C888-K893 WeakPolarHBondContact CB-O 3.47Å; C888-K893 PolarHBondContact N-O 3.01Å; C888-F895 HydrophobicContact CB-CE2 4.34Å; C888-L901 VanDerWaalsContact CA-CD1 3.45Å; C888-L901 HydrophobicContact CB-CD1 3.47Å; C888-L901 VanDerWaalsContact CB-CD1 3.47Å
889	E	76	Confident	72.2	Confident	146 Å²	146	78.6 Å²	78.6	68%	0.682	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.1	175.4	-59.7	107.7	-104.4	0	0	113.4	K905	E889-K905 VanDerWaalsContact OE1-CE 3.31Å; E889-K905 WeakPolarHBondContact OE1-CE 3.41Å; E889-K905 IonicContact OE1-NZ 2.7Å; E889-K905 PolarHBondContact OE1-NZ 3.38Å; E889-K905 IonicContact OE2-NZ 3.96Å; E889-K905 PolarHBondContact OE2-NZ 3.41Å
890	L	72.4	Confident	72.5	Confident	98 Å²	98	73.3 Å²	73.3	51%	0.513	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-12.3	-173.4	-59.2	173.5	0	0	0	114.3	C888 H908 T909	C888-L890 PolarHBondContact O-N 3.28Å; C888-L890 VanDerWaalsContact O-N 3.09Å; L890-H908 HydrophobicContact CB-CB 3.98Å; L890-H908 HydrophobicContact CD1-CB 3.56Å; L890-H908 HydrophobicContact CG-CB 4.39Å; L890-T909 HydrophobicContact CD1-CG2 3.95Å
891	C	70.3	Confident	73.1	Confident	50 Å²	50	70.4 Å²	70.4	34%	0.338	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156	8	-179.8	72.6	0	0	0	0	115.7	C888 K893 H904 H908	C888-C891 PolarHBondContact O-N 2.96Å; C891-K893 PolarHBondContact O-N 2.84Å; C891-H904 PolarHBondContact SG-NE2 3.22Å; C891-H908 VanDerWaalsContact SG-CE1 3.55Å; C891-H908 PolarHBondContact SG-NE2 3.15Å; C891-H908 VanDerWaalsContact SG-NE2 3.35Å
892	G	70.6	Confident	73.6	Confident	41 Å²	41	72.2 Å²	72.2	42%	0.423	38%	0.383	S	S	.	.			trans	69.5	-8.6	-178.5	0	0	0	0	0	116.1	C888 T894	C888-G892 WeakPolarHBondContact O-CA 3.4Å; C888-G892 PolarHBondContact O-N 2.84Å; G892-T894 PolarHBondContact O-N 2.85Å
893	K	73.9	Confident	74.3	Confident	108 Å²	108	73.6 Å²	73.6	47%	0.47	38%	0.383	S	S	.	.			trans	-64.6	131.8	-176.5	-69.5	179.5	178.9	178	0	111.1	C888 C891 F895	C888-K893 WeakPolarHBondContact CB-O 3.47Å; C888-K893 PolarHBondContact N-O 3.01Å; C891-K893 PolarHBondContact O-N 2.84Å; K893-F895 HydrophobicContact CB-CE2 3.76Å; K893-F895 HydrophobicContact CB-CZ 4.02Å; K893-F895 WeakPolarHBondContact O-CD2 3.44Å; K893-F895 WeakPolarHBondContact O-CE2 3.44Å
894	T	75.2	Confident	75.2	Confident	50 Å²	50	71.3 Å²	71.3	31%	0.307	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137	-173.7	48.4	0	0	0	0	111.8	K884 F886 M887 G892	K884-T894 WeakPolarHBondContact CD-O 3.39Å; K884-T894 WeakPolarHBondContact CD-OG1 3.14Å; K884-T894 WeakPolarHBondContact CE-O 3.43Å; K884-T894 PolarHBondContact NZ-O 3.32Å; F886-T894 WeakPolarHBondContact O-CA 3.15Å; M887-T894 HydrophobicContact CB-CG2 4.06Å; M887-T894 HydrophobicContact CE-CG2 3.77Å; M887-T894 HydrophobicContact CG-CG2 4.01Å; G892-T894 PolarHBondContact O-N 2.85Å
895	F	76.8	Confident	75.7	Confident	41 Å²	41	68.7 Å²	68.7	18%	0.18	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.1	-171.1	-64.3	-87.1	0	0	0	111.2	K884 D885 F886 C888 K893 L901 H904	K884-F895 CarbonylContact C-O 3.57Å; K884-F895 VanDerWaalsContact C-O 3.25Å; K884-F895 VanDerWaalsContact CA-O 3.27Å; K884-F895 WeakPolarHBondContact CA-O 3.49Å; D885-F895 PolarHBondContact N-O 3.32Å; F886-F895 HydrophobicContact CB-CB 4.33Å; F886-F895 PolarHBondContact N-O 3.3Å; F886-F895 VanDerWaalsContact N-O 3.09Å; F886-F895 PolarHBondContact O-N 3.1Å; C888-F895 HydrophobicContact CB-CE2 4.34Å; K893-F895 HydrophobicContact CB-CE2 3.76Å; K893-F895 HydrophobicContact CB-CZ 4.02Å; K893-F895 WeakPolarHBondContact O-CD2 3.44Å; K893-F895 WeakPolarHBondContact O-CE2 3.44Å; F895-L901 HydrophobicContact CB-CB 4.2Å; F895-L901 HydrophobicContact CD2-CB 4.12Å; F895-L901 HydrophobicContact CD2-CD1 3.94Å; F895-L901 HydrophobicContact CE2-CD1 4.28Å; F895-L901 HydrophobicContact CG-CB 4.26Å; F895-H904 HydrophobicContact CE1-CB 3.98Å; F895-H904 AromaticContact CE1-CG 3.98Å; F895-H904 HydrophobicContact CE2-CB 3.98Å; F895-H904 AromaticContact CE2-CD2 3.39Å; F895-H904 WeakPolarHBondContact CE2-CD2 3.14Å; F895-H904 AromaticContact CE2-CG 3.58Å; F895-H904 AromaticContact CE2-NE2 3.94Å; F895-H904 HydrophobicContact CZ-CB 3.61Å; F895-H904 AromaticContact CZ-CD2 3.44Å; F895-H904 VanDerWaalsContact CZ-CD2 3.44Å; F895-H904 WeakPolarHBondContact CZ-CD2 3.37Å; F895-H904 AromaticContact CZ-CE1 3.8Å; F895-H904 AromaticContact CZ-CG 3.17Å; F895-H904 AromaticContact CZ-ND1 3.41Å; F895-H904 WeakPolarHBondContact CZ-ND1 3.34Å; F895-H904 AromaticContact CZ-NE2 3.83Å
896	S	72.8	Confident	75.8	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	35%	0.351	S	S	.	.	S	Bend	trans	-80.8	-20.7	177	52	0	0	0	0	113.4
897	E	76.1	Confident	75.9	Confident	59 Å²	59	69.8 Å²	69.8	28%	0.276	36%	0.363	S	S	.	.	S	Bend	trans	-132.3	138.4	-178.3	-58.4	-163.6	153	0	0	112.2	K875 T899 T900 L901	K875-E897 WeakPolarHBondContact CD-OE1 3.24Å; E897-T899 VanDerWaalsContact C-N 3.33Å; E897-T899 PolarHBondContact O-N 3.21Å; E897-T900 HydrophobicContact CB-CG2 4.18Å; E897-T900 PolarHBondContact O-N 2.61Å; E897-T900 VanDerWaalsContact O-N 3.11Å; E897-T900 PolarHBondContact O-OG1 3.14Å; E897-L901 PolarHBondContact O-N 3.04Å; E897-L901 VanDerWaalsContact O-N 3.08Å
898	R	76.1	Confident	75.5	Confident	156 Å²	156	68.2 Å²	68.2	59%	0.589	35%	0.354	S	S	*	.	H	α-helix	trans	-57.6	-42.3	179.6	-179.1	-177.9	-70.3	-165.7	-4.3	112.8	F886 T900 L901 E902	F886-R898 HydrophobicContact CD1-CB 4.1Å; F886-R898 HydrophobicContact CD2-CB 4.45Å; F886-R898 HydrophobicContact CE1-CB 3.95Å; F886-R898 HydrophobicContact CE2-CB 4.29Å; F886-R898 HydrophobicContact CG-CB 4.36Å; F886-R898 HydrophobicContact CZ-CB 4.04Å; R898-T900 VanDerWaalsContact C-N 3.29Å; R898-T900 PolarHBondContact O-N 2.95Å; R898-L901 CarbonylContact O-C 3.55Å; R898-L901 WeakPolarHBondContact O-CA 3.36Å; R898-L901 WeakPolarHBondContact O-CB 3.25Å; R898-L901 PolarHBondContact O-N 2.81Å; R898-E902 VanDerWaalsContact CD-OE1 3.23Å; R898-E902 WeakPolarHBondContact CD-OE1 3.42Å; R898-E902 HydrophobicContact CG-CG 4.24Å; R898-E902 VanDerWaalsContact CG-OE1 3.24Å; R898-E902 WeakPolarHBondContact CG-OE1 3.4Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 2.82Å
899	T	76.8	Confident	74.7	Confident	80 Å²	80	72.8 Å²	72.8	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-59.8	-37.3	176.6	46.1	0	0	0	0	112.7	E897 E902 T903	E897-T899 VanDerWaalsContact C-N 3.33Å; E897-T899 PolarHBondContact O-N 3.21Å; T899-E902 PolarHBondContact O-N 3.15Å; T899-T903 PolarHBondContact O-N 3.33Å; T899-T903 PolarHBondContact O-OG1 3.22Å
900	T	78.1	Confident	73.8	Confident	50 Å²	50	68 Å²	68	31%	0.307	36%	0.363	S	S	.	.	H	α-helix	trans	-72.6	-29.8	174.2	65.4	0	0	0	0	112.3	E897 R898 T903 H904	E897-T900 HydrophobicContact CB-CG2 4.18Å; E897-T900 PolarHBondContact O-N 2.61Å; E897-T900 VanDerWaalsContact O-N 3.11Å; E897-T900 PolarHBondContact O-OG1 3.14Å; R898-T900 VanDerWaalsContact C-N 3.29Å; R898-T900 PolarHBondContact O-N 2.95Å; T900-T903 WeakPolarHBondContact CA-OG1 3.29Å; T900-T903 PolarHBondContact O-OG1 3.25Å; T900-H904 WeakPolarHBondContact O-CB 3.43Å; T900-H904 PolarHBondContact O-N 2.96Å; T900-H904 VanDerWaalsContact O-N 3.1Å
901	L	82.3	Confident	73	Confident	14 Å²	14	65.8 Å²	65.8	7%	0.073	36%	0.364	C	S	.	.	H	α-helix	trans	-70.2	-43.3	168.4	169.8	61.9	0	0	0	111.7	F886 M887 C888 F895 E897 R898 H904 K905	F886-L901 HydrophobicContact CB-CB 4.06Å; F886-L901 HydrophobicContact CB-CD2 3.79Å; M887-L901 WeakPolarHBondContact O-CD2 3.01Å; C888-L901 VanDerWaalsContact CA-CD1 3.45Å; C888-L901 HydrophobicContact CB-CD1 3.47Å; C888-L901 VanDerWaalsContact CB-CD1 3.47Å; F895-L901 HydrophobicContact CB-CB 4.2Å; F895-L901 HydrophobicContact CD2-CB 4.12Å; F895-L901 HydrophobicContact CD2-CD1 3.94Å; F895-L901 HydrophobicContact CE2-CD1 4.28Å; F895-L901 HydrophobicContact CG-CB 4.26Å; E897-L901 PolarHBondContact O-N 3.04Å; E897-L901 VanDerWaalsContact O-N 3.08Å; R898-L901 CarbonylContact O-C 3.55Å; R898-L901 WeakPolarHBondContact O-CA 3.36Å; R898-L901 WeakPolarHBondContact O-CB 3.25Å; R898-L901 PolarHBondContact O-N 2.81Å; L901-H904 CarbonylContact O-C 3.51Å; L901-H904 WeakPolarHBondContact O-CA 3.39Å; L901-H904 WeakPolarHBondContact O-CB 3.27Å; L901-H904 PolarHBondContact O-N 2.92Å; L901-H904 VanDerWaalsContact O-N 3.13Å; L901-K905 HydrophobicContact CD1-CG 4.02Å; L901-K905 HydrophobicContact CG-CG 4.42Å; L901-K905 PolarHBondContact O-N 3.14Å
902	E	79.4	Confident	72.8	Confident	100 Å²	100	70.9 Å²	70.9	47%	0.467	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-48.5	-178.9	-73.8	159.1	168.9	0	0	111	R898 T899 H904 K905 L906	R898-E902 VanDerWaalsContact CD-OE1 3.23Å; R898-E902 WeakPolarHBondContact CD-OE1 3.42Å; R898-E902 HydrophobicContact CG-CG 4.24Å; R898-E902 VanDerWaalsContact CG-OE1 3.24Å; R898-E902 WeakPolarHBondContact CG-OE1 3.4Å; R898-E902 WeakPolarHBondContact O-CG 3.44Å; R898-E902 PolarHBondContact O-N 2.82Å; T899-E902 PolarHBondContact O-N 3.15Å; E902-H904 PolarHBondContact O-N 3.13Å; E902-K905 PolarHBondContact O-N 2.95Å; E902-K905 VanDerWaalsContact O-N 3.13Å; E902-L906 PolarHBondContact O-N 3.12Å
903	T	77.1	Confident	72.7	Confident	77 Å²	77	71.9 Å²	71.9	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-23.8	172.5	51.3	0	0	0	0	113.3	T899 T900	T899-T903 PolarHBondContact O-N 3.33Å; T899-T903 PolarHBondContact O-OG1 3.22Å; T900-T903 WeakPolarHBondContact CA-OG1 3.29Å; T900-T903 PolarHBondContact O-OG1 3.25Å
904	H	79.4	Confident	72.8	Confident	20 Å²	20	70.2 Å²	70.2	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-79.1	-35.1	170.1	-179.6	79	0	0	0	113.5	C891 F895 T900 L901 E902 L906 I907 H908	C891-H904 PolarHBondContact SG-NE2 3.22Å; F895-H904 HydrophobicContact CE1-CB 3.98Å; F895-H904 AromaticContact CE1-CG 3.98Å; F895-H904 HydrophobicContact CE2-CB 3.98Å; F895-H904 AromaticContact CE2-CD2 3.39Å; F895-H904 WeakPolarHBondContact CE2-CD2 3.14Å; F895-H904 AromaticContact CE2-CG 3.58Å; F895-H904 AromaticContact CE2-NE2 3.94Å; F895-H904 HydrophobicContact CZ-CB 3.61Å; F895-H904 AromaticContact CZ-CD2 3.44Å; F895-H904 VanDerWaalsContact CZ-CD2 3.44Å; F895-H904 WeakPolarHBondContact CZ-CD2 3.37Å; F895-H904 AromaticContact CZ-CE1 3.8Å; F895-H904 AromaticContact CZ-CG 3.17Å; F895-H904 AromaticContact CZ-ND1 3.41Å; F895-H904 WeakPolarHBondContact CZ-ND1 3.34Å; F895-H904 AromaticContact CZ-NE2 3.83Å; T900-H904 WeakPolarHBondContact O-CB 3.43Å; T900-H904 PolarHBondContact O-N 2.96Å; T900-H904 VanDerWaalsContact O-N 3.1Å; L901-H904 CarbonylContact O-C 3.51Å; L901-H904 WeakPolarHBondContact O-CA 3.39Å; L901-H904 WeakPolarHBondContact O-CB 3.27Å; L901-H904 PolarHBondContact O-N 2.92Å; L901-H904 VanDerWaalsContact O-N 3.13Å; E902-H904 PolarHBondContact O-N 3.13Å; H904-L906 PolarHBondContact O-N 2.95Å; H904-I907 WeakPolarHBondContact ND1-CD1 3.41Å; H904-I907 VanDerWaalsContact O-CB 3.28Å; H904-I907 WeakPolarHBondContact O-CB 3.41Å; H904-I907 PolarHBondContact O-N 3.01Å; H904-H908 AromaticContact CD2-NE2 3.53Å; H904-H908 AromaticContact CE1-NE2 3.61Å; H904-H908 AromaticContact NE2-CD2 3.95Å; H904-H908 AromaticContact NE2-CE1 3.84Å; H904-H908 AromaticContact NE2-NE2 2.95Å; H904-H908 PolarHBondContact NE2-NE2 2.99Å; H904-H908 PolarHBondContact O-CD2 2.89Å
905	K	76.6	Confident	73	Confident	57 Å²	57	73.3 Å²	73.3	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-59	-35.1	174.5	-79.9	-167.1	176.6	-166.5	0	110.7	E889 L901 E902 I907 H908 T909	E889-K905 VanDerWaalsContact OE1-CE 3.31Å; E889-K905 WeakPolarHBondContact OE1-CE 3.41Å; E889-K905 IonicContact OE1-NZ 2.7Å; E889-K905 PolarHBondContact OE1-NZ 3.38Å; E889-K905 IonicContact OE2-NZ 3.96Å; E889-K905 PolarHBondContact OE2-NZ 3.41Å; L901-K905 HydrophobicContact CD1-CG 4.02Å; L901-K905 HydrophobicContact CG-CG 4.42Å; L901-K905 PolarHBondContact O-N 3.14Å; E902-K905 PolarHBondContact O-N 2.95Å; E902-K905 VanDerWaalsContact O-N 3.13Å; K905-I907 PolarHBondContact O-N 3.36Å; K905-H908 PolarHBondContact O-N 3.49Å; K905-T909 PolarHBondContact O-N 3.29Å; K905-T909 VanDerWaalsContact O-N 3.09Å; K905-T909 PolarHBondContact O-OG1 2.68Å
906	L	75.6	Confident	73.5	Confident	69 Å²	69	71.7 Å²	71.7	36%	0.361	37%	0.372	S	S	.	.	H	α-helix	trans	-55.9	-28.8	171.2	-62	177.4	0	0	0	113.6	E902 H904 H908 V910 L924	E902-L906 PolarHBondContact O-N 3.12Å; H904-L906 PolarHBondContact O-N 2.95Å; L906-H908 PolarHBondContact O-N 3.43Å; L906-V910 HydrophobicContact CD2-CG2 3.83Å; L906-V910 WeakPolarHBondContact O-CA 3.48Å; L906-V910 WeakPolarHBondContact O-CB 3.33Å; L906-V910 PolarHBondContact O-N 2.87Å; L906-L924 HydrophobicContact CB-CD1 4.13Å; L906-L924 HydrophobicContact CB-CD2 3.91Å; L906-L924 HydrophobicContact CB-CG 4.28Å; L906-L924 WeakPolarHBondContact O-CD1 3.46Å
907	I	72.9	Confident	73.9	Confident	97 Å²	97	76.7 Å²	76.7	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-28.9	176	-59.4	174.6	0	0	0	111.5	H904 K905 L924	H904-I907 WeakPolarHBondContact ND1-CD1 3.41Å; H904-I907 VanDerWaalsContact O-CB 3.28Å; H904-I907 WeakPolarHBondContact O-CB 3.41Å; H904-I907 PolarHBondContact O-N 3.01Å; K905-I907 PolarHBondContact O-N 3.36Å; I907-L924 HydrophobicContact CB-CD2 4.01Å; I907-L924 HydrophobicContact CG1-CD2 3.28Å
908	H	67.6	Low	74	Confident	78 Å²	78	79.9 Å²	79.9	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-97.2	-32.3	-177.1	-51.7	-70.3	0	0	0	112.5	L890 C891 H904 K905 L906	L890-H908 HydrophobicContact CB-CB 3.98Å; L890-H908 HydrophobicContact CD1-CB 3.56Å; L890-H908 HydrophobicContact CG-CB 4.39Å; C891-H908 VanDerWaalsContact SG-CE1 3.55Å; C891-H908 PolarHBondContact SG-NE2 3.15Å; C891-H908 VanDerWaalsContact SG-NE2 3.35Å; H904-H908 AromaticContact CD2-NE2 3.53Å; H904-H908 AromaticContact CE1-NE2 3.61Å; H904-H908 AromaticContact NE2-CD2 3.95Å; H904-H908 AromaticContact NE2-CE1 3.84Å; H904-H908 AromaticContact NE2-NE2 2.95Å; H904-H908 PolarHBondContact NE2-NE2 2.99Å; H904-H908 PolarHBondContact O-CD2 2.89Å; K905-H908 PolarHBondContact O-N 3.49Å; L906-H908 PolarHBondContact O-N 3.43Å
909	T	63.7	Low	74.3	Confident	96 Å²	96	74 Å²	74	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-95.5	-22.2	-177.1	59.3	0	0	0	0	114.1	L890 K905	L890-T909 HydrophobicContact CD1-CG2 3.95Å; K905-T909 PolarHBondContact O-N 3.29Å; K905-T909 VanDerWaalsContact O-N 3.09Å; K905-T909 PolarHBondContact O-OG1 2.68Å
910	V	56	Low	74.4	Confident	46 Å²	46	77.7 Å²	77.7	28%	0.279	40%	0.404	S	S	.	.	S	Bend	trans	-124.2	123.5	-177.3	-172.5	0	0	0	0	109.5	L906 T913 L924	L906-V910 HydrophobicContact CD2-CG2 3.83Å; L906-V910 WeakPolarHBondContact O-CA 3.48Å; L906-V910 WeakPolarHBondContact O-CB 3.33Å; L906-V910 PolarHBondContact O-N 2.87Å; V910-T913 HydrophobicContact CG1-CG2 3.93Å; V910-L924 HydrophobicContact CB-CD1 3.99Å; V910-L924 HydrophobicContact CG1-CD1 4.31Å; V910-L924 WeakPolarHBondContact O-CD1 3.3Å
911	G	56.6	Low	74.4	Confident	52 Å²	52	80.5 Å²	80.5	54%	0.536	41%	0.412	S	S	.	.			trans	-59.8	167.4	173.1	0	0	0	0	0	112.5	T913	G911-T913 VanDerWaalsContact C-N 3.29Å; G911-T913 WeakPolarHBondContact O-CG2 3.36Å; G911-T913 PolarHBondContact O-N 3.22Å; G911-T913 PolarHBondContact O-OG1 3.25Å; G911-T913 VanDerWaalsContact O-OG1 3.1Å
912	K	65.7	Low	74.4	Confident	157 Å²	157	85.6 Å²	85.6	68%	0.683	43%	0.434	S	S	*	.	S	Bend	trans	-64	89	172.5	-66.2	172.6	171	-177.2	0	110	K922 Y923	K912-K922 HydrophobicContact CB-CB 3.58Å; K912-K922 HydrophobicContact CD-CB 4.46Å; K912-K922 WeakPolarHBondContact CD-O 3.45Å; K912-Y923 CarbonylContact C-O 3.55Å; K912-Y923 WeakPolarHBondContact CA-O 2.93Å
913	T	68.1	Low	74.5	Confident	62 Å²	62	83.4 Å²	83.4	38%	0.38	42%	0.422	S	S	.	.			trans	-96.6	-22.4	-165.1	34	0	0	0	0	113.4	R74 V910 G911 K915 Y923	R74-T913 VanDerWaalsContact NH1-CB 3.33Å; R74-T913 PolarHBondContact NH1-OG1 3.28Å; R74-T913 PolarHBondContact NH2-OG1 3.47Å; V910-T913 HydrophobicContact CG1-CG2 3.93Å; G911-T913 VanDerWaalsContact C-N 3.29Å; G911-T913 WeakPolarHBondContact O-CG2 3.36Å; G911-T913 PolarHBondContact O-N 3.22Å; G911-T913 PolarHBondContact O-OG1 3.25Å; G911-T913 VanDerWaalsContact O-OG1 3.1Å; T913-K915 PolarHBondContact O-N 3.49Å; T913-Y923 PolarHBondContact N-O 3.44Å; T913-Y923 VanDerWaalsContact N-O 3.07Å
914	W	76.2	Confident	74.5	Confident	72 Å²	72	80.6 Å²	80.6	27%	0.273	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	95.5	177.7	-62.8	91.8	0	0	0	109.5	R74 K922 Y923 L924 E926 L929	R74-W914 VanDerWaalsContact NH1-CD1 3.32Å; W914-K922 CarbonylContact O-C 3.52Å; W914-K922 WeakPolarHBondContact O-CA 3.18Å; W914-Y923 PolarHBondContact N-O 3.47Å; W914-Y923 PolarHBondContact O-N 2.85Å; W914-L924 VanDerWaalsContact CD1-C 3.45Å; W914-L924 PolarHBondContact NE1-O 3.33Å; W914-E926 HydrophobicContact CD2-CB 4.04Å; W914-E926 HydrophobicContact CE3-CB 4.16Å; W914-E926 HydrophobicContact CE3-CG 4.22Å; W914-E926 HydrophobicContact CH2-CB 3.86Å; W914-E926 HydrophobicContact CH2-CG 3.93Å; W914-E926 HydrophobicContact CZ2-CB 3.74Å; W914-E926 HydrophobicContact CZ2-CG 4.34Å; W914-E926 HydrophobicContact CZ3-CB 4.06Å; W914-E926 HydrophobicContact CZ3-CG 3.87Å; W914-L929 HydrophobicContact CB-CB 4.04Å; W914-L929 HydrophobicContact CB-CD2 3.88Å; W914-L929 HydrophobicContact CE3-CD2 4.23Å
915	K	80.1	Confident	74.4	Confident	115 Å²	115	81.1 Å²	81.1	50%	0.5	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.8	170.7	52.4	150.5	-171.1	141.9	0	110.3	T913 E917 K922 L929	T913-K915 PolarHBondContact O-N 3.49Å; K915-E917 IonicContact NZ-OE1 2.75Å; K915-E917 PolarHBondContact NZ-OE1 3.05Å; K915-K922 HydrophobicContact CB-CG 4.38Å; K915-L929 VanDerWaalsContact O-CD2 3.24Å; K915-L929 WeakPolarHBondContact O-CD2 3.28Å
916	C	86.1	Confident	74.4	Confident	7 Å²	7	83.9 Å²	83.9	5%	0.047	42%	0.422	C	S	.	.			trans	-76.6	153.9	156.9	-170.3	0	0	0	0	109.8	H918 C919 K921 L929 H932 H937	C916-H918 PolarHBondContact SG-N 2.82Å; C916-C919 CarbonylContact C-O 3.45Å; C916-C919 WeakPolarHBondContact CB-O 3.38Å; C916-K921 PolarHBondContact N-O 2.91Å; C916-L929 HydrophobicContact CB-CD1 3.65Å; C916-H932 WeakPolarHBondContact CB-NE2 3.32Å; C916-H932 PolarHBondContact SG-NE2 2.84Å; C916-H937 VanDerWaalsContact SG-CD2 3.57Å
917	E	82.2	Confident	74.6	Confident	147 Å²	147	88 Å²	88	69%	0.687	43%	0.434	S	S	*	.	S	Bend	trans	-97	-17.3	179.4	-49.3	-152.2	117.3	0	0	111.5	K915	K915-E917 IonicContact NZ-OE1 2.75Å; K915-E917 PolarHBondContact NZ-OE1 3.05Å
918	H	77.5	Confident	74.9	Confident	126 Å²	126	88 Å²	88	58%	0.583	43%	0.433	S	S	*	.	S	Bend	trans	-102.3	-5.7	177.5	-51.6	-65.9	0	0	0	113.8	C916 H937	C916-H918 PolarHBondContact SG-N 2.82Å; H918-H937 HydrophobicContact CB-CB 3.9Å; H918-H937 VanDerWaalsContact CB-CG 3.4Å; H918-H937 VanDerWaalsContact CB-ND1 3.28Å; H918-H937 WeakPolarHBondContact CB-ND1 3.37Å; H918-H937 PolarHBondContact O-CE1 2.68Å; H918-H937 VanDerWaalsContact O-CE1 3.28Å
919	C	83.1	Confident	75.7	Confident	32 Å²	32	85.1 Å²	85.1	22%	0.216	42%	0.42	C	S	.	.	S	Bend	trans	-161.8	163.8	162.8	72.7	0	0	0	0	112.7	C916 K921 H932 H937	C916-C919 CarbonylContact C-O 3.45Å; C916-C919 WeakPolarHBondContact CB-O 3.38Å; C919-K921 PolarHBondContact O-N 3.47Å; C919-K921 VanDerWaalsContact SG-CD 3.58Å; C919-K921 VanDerWaalsContact SG-CG 3.59Å; C919-H932 VanDerWaalsContact SG-CE1 3.59Å; C919-H932 PolarHBondContact SG-NE2 3.06Å; C919-H932 VanDerWaalsContact SG-NE2 3.44Å; C919-H937 PolarHBondContact SG-NE2 3.17Å
920	D	78	Confident	76.6	Confident	157 Å²	157	86.7 Å²	86.7	84%	0.84	42%	0.421	S	S	*	.	S	Bend	trans	-66.5	4.3	-176.3	-60.2	-76.5	0	0	0	116.5	K922	D920-K922 PolarHBondContact O-N 3.3Å
921	K	78.3	Confident	77.7	Confident	109 Å²	109	89.8 Å²	89.8	47%	0.474	43%	0.431	S	S	.	.			trans	-71.8	130.1	-178.5	-64.7	172.7	-164.2	142.4	0	109.9	C916 C919 Y923	C916-K921 PolarHBondContact N-O 2.91Å; C919-K921 PolarHBondContact O-N 3.47Å; C919-K921 VanDerWaalsContact SG-CD 3.58Å; C919-K921 VanDerWaalsContact SG-CG 3.59Å; K921-Y923 HydrophobicContact CB-CE2 3.5Å; K921-Y923 VanDerWaalsContact CB-CE2 3.5Å; K921-Y923 WeakPolarHBondContact CB-OH 3.32Å; K921-Y923 WeakPolarHBondContact O-CE2 3.36Å
922	K	81.3	Confident	78.8	Confident	121 Å²	121	88 Å²	88	53%	0.526	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.7	-179.3	-55.7	-178.6	-174.4	176.3	0	111	K912 W914 K915 D920	K912-K922 HydrophobicContact CB-CB 3.58Å; K912-K922 HydrophobicContact CD-CB 4.46Å; K912-K922 WeakPolarHBondContact CD-O 3.45Å; W914-K922 CarbonylContact O-C 3.52Å; W914-K922 WeakPolarHBondContact O-CA 3.18Å; K915-K922 HydrophobicContact CB-CG 4.38Å; D920-K922 PolarHBondContact O-N 3.3Å
923	Y	81.5	Confident	79.5	Confident	55 Å²	55	82.7 Å²	82.7	22%	0.216	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160.4	-172.4	-63.6	-91.4	0	0	0	110.6	K912 T913 W914 K921 M928 L929 H932	K912-Y923 CarbonylContact C-O 3.55Å; K912-Y923 WeakPolarHBondContact CA-O 2.93Å; T913-Y923 PolarHBondContact N-O 3.44Å; T913-Y923 VanDerWaalsContact N-O 3.07Å; W914-Y923 PolarHBondContact N-O 3.47Å; W914-Y923 PolarHBondContact O-N 2.85Å; K921-Y923 HydrophobicContact CB-CE2 3.5Å; K921-Y923 VanDerWaalsContact CB-CE2 3.5Å; K921-Y923 WeakPolarHBondContact CB-OH 3.32Å; K921-Y923 WeakPolarHBondContact O-CE2 3.36Å; Y923-M928 HydrophobicContact CD1-CB 3.95Å; Y923-M928 HydrophobicContact CG-CB 4.43Å; Y923-L929 HydrophobicContact CD2-CB 4.38Å; Y923-L929 HydrophobicContact CD2-CD1 4.13Å; Y923-L929 HydrophobicContact CG-CB 4.39Å; Y923-H932 AromaticContact CD2-CD2 3.87Å; Y923-H932 HydrophobicContact CE1-CB 3.93Å; Y923-H932 HydrophobicContact CE2-CB 4.06Å; Y923-H932 AromaticContact CE2-CD2 3.01Å; Y923-H932 WeakPolarHBondContact CE2-CD2 3.28Å; Y923-H932 AromaticContact CE2-CG 3.63Å; Y923-H932 AromaticContact CE2-NE2 3.63Å; Y923-H932 AromaticContact CZ-CD2 3.33Å; Y923-H932 AromaticContact CZ-CG 3.41Å; Y923-H932 VanDerWaalsContact CZ-CG 3.41Å; Y923-H932 AromaticContact CZ-NE2 3.97Å; Y923-H932 PolarHBondContact OH-CD2 3.32Å; Y923-H932 PolarHBondContact OH-ND1 2.92Å
924	L	77.6	Confident	79.9	Confident	18 Å²	18	84 Å²	84	9%	0.094	39%	0.388	C	S	.	.	S	Bend	trans	-86.4	-37.6	-178.6	176	64	0	0	0	113.1	L906 I907 V910 W914	L906-L924 HydrophobicContact CB-CD1 4.13Å; L906-L924 HydrophobicContact CB-CD2 3.91Å; L906-L924 HydrophobicContact CB-CG 4.28Å; L906-L924 WeakPolarHBondContact O-CD1 3.46Å; I907-L924 HydrophobicContact CB-CD2 4.01Å; I907-L924 HydrophobicContact CG1-CD2 3.28Å; V910-L924 HydrophobicContact CB-CD1 3.99Å; V910-L924 HydrophobicContact CG1-CD1 4.31Å; V910-L924 WeakPolarHBondContact O-CD1 3.3Å; W914-L924 VanDerWaalsContact CD1-C 3.45Å; W914-L924 PolarHBondContact NE1-O 3.33Å
925	T	77.3	Confident	79.7	Confident	31 Å²	31	83.3 Å²	83.3	19%	0.19	39%	0.39	C	S	.	.	S	Bend	trans	-123.8	149.8	-179.4	64.1	0	0	0	0	110.3	Y927 M928 L929	T925-Y927 VanDerWaalsContact C-N 3.3Å; T925-Y927 PolarHBondContact O-N 2.92Å; T925-M928 WeakPolarHBondContact O-CB 3.47Å; T925-M928 PolarHBondContact O-N 3.39Å; T925-M928 WeakPolarHBondContact OG1-CG 3.15Å; T925-M928 PolarHBondContact OG1-N 3.3Å; T925-L929 PolarHBondContact O-N 2.83Å; T925-L929 VanDerWaalsContact O-N 3.1Å
926	E	77.8	Confident	79.1	Confident	115 Å²	115	81.3 Å²	81.3	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-53.8	-45.9	175.8	-171	167.8	-147.7	0	0	111.7	W914 M928 L929 Q930	W914-E926 HydrophobicContact CD2-CB 4.04Å; W914-E926 HydrophobicContact CE3-CB 4.16Å; W914-E926 HydrophobicContact CE3-CG 4.22Å; W914-E926 HydrophobicContact CH2-CB 3.86Å; W914-E926 HydrophobicContact CH2-CG 3.93Å; W914-E926 HydrophobicContact CZ2-CB 3.74Å; W914-E926 HydrophobicContact CZ2-CG 4.34Å; W914-E926 HydrophobicContact CZ3-CB 4.06Å; W914-E926 HydrophobicContact CZ3-CG 3.87Å; E926-M928 VanDerWaalsContact C-N 3.26Å; E926-M928 PolarHBondContact O-N 3.32Å; E926-L929 CarbonylContact O-C 3.58Å; E926-L929 WeakPolarHBondContact O-CA 3.45Å; E926-L929 WeakPolarHBondContact O-CB 3.19Å; E926-L929 PolarHBondContact O-N 3.36Å; E926-Q930 WeakPolarHBondContact O-CB 3.24Å; E926-Q930 PolarHBondContact O-N 3.37Å
927	Y	79.1	Confident	78.4	Confident	154 Å²	154	83.8 Å²	83.8	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-54.5	-37.6	174	177	-99.2	0	0	0	113.6	T925 K931	T925-Y927 VanDerWaalsContact C-N 3.3Å; T925-Y927 PolarHBondContact O-N 2.92Å; Y927-K931 HydrophobicContact CE1-CD 4.34Å; Y927-K931 WeakPolarHBondContact O-CB 3.25Å; Y927-K931 PolarHBondContact O-N 3.48Å
928	M	80.1	Confident	77.9	Confident	97 Å²	97	81.9 Å²	81.9	48%	0.478	39%	0.39	S	S	.	.	H	α-helix	trans	-74	-33.5	176	-70.5	-179.6	-173.2	0	0	112.5	Y923 T925 E926 H932	Y923-M928 HydrophobicContact CD1-CB 3.95Å; Y923-M928 HydrophobicContact CG-CB 4.43Å; T925-M928 WeakPolarHBondContact O-CB 3.47Å; T925-M928 PolarHBondContact O-N 3.39Å; T925-M928 WeakPolarHBondContact OG1-CG 3.15Å; T925-M928 PolarHBondContact OG1-N 3.3Å; E926-M928 VanDerWaalsContact C-N 3.26Å; E926-M928 PolarHBondContact O-N 3.32Å; M928-H932 WeakPolarHBondContact O-CB 3.46Å; M928-H932 PolarHBondContact O-N 2.75Å; M928-H932 VanDerWaalsContact O-N 3.15Å
929	L	84.3	Confident	76.9	Confident	18 Å²	18	85.1 Å²	85.1	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-67.5	-52.5	172.6	168.5	60.5	0	0	0	111.1	W914 K915 C916 Y923 T925 E926 K931 H932 I933	W914-L929 HydrophobicContact CB-CB 4.04Å; W914-L929 HydrophobicContact CB-CD2 3.88Å; W914-L929 HydrophobicContact CE3-CD2 4.23Å; K915-L929 VanDerWaalsContact O-CD2 3.24Å; K915-L929 WeakPolarHBondContact O-CD2 3.28Å; C916-L929 HydrophobicContact CB-CD1 3.65Å; Y923-L929 HydrophobicContact CD2-CB 4.38Å; Y923-L929 HydrophobicContact CD2-CD1 4.13Å; Y923-L929 HydrophobicContact CG-CB 4.39Å; T925-L929 PolarHBondContact O-N 2.83Å; T925-L929 VanDerWaalsContact O-N 3.1Å; E926-L929 CarbonylContact O-C 3.58Å; E926-L929 WeakPolarHBondContact O-CA 3.45Å; E926-L929 WeakPolarHBondContact O-CB 3.19Å; E926-L929 PolarHBondContact O-N 3.36Å; L929-K931 VanDerWaalsContact C-N 3.32Å; L929-K931 PolarHBondContact O-N 3.28Å; L929-H932 CarbonylContact O-C 3.56Å; L929-H932 WeakPolarHBondContact O-CA 3.26Å; L929-H932 VanDerWaalsContact O-CB 3.32Å; L929-H932 WeakPolarHBondContact O-CB 3.18Å; L929-H932 PolarHBondContact O-N 3.29Å; L929-I933 HydrophobicContact CD1-CD1 3.78Å; L929-I933 HydrophobicContact CD1-CG1 3.98Å; L929-I933 HydrophobicContact CG-CD1 3.89Å; L929-I933 HydrophobicContact CG-CG1 4.48Å; L929-I933 PolarHBondContact O-N 3.45Å
930	Q	81.3	Confident	75.6	Confident	130 Å²	130	86.5 Å²	86.5	61%	0.607	41%	0.409	S	S	*	.	H	α-helix	trans	-58.4	-45	-179.7	-168.7	-178.1	23.8	0	0	110.8	E926 H932 I933 H934	E926-Q930 WeakPolarHBondContact O-CB 3.24Å; E926-Q930 PolarHBondContact O-N 3.37Å; Q930-H932 PolarHBondContact O-N 3.47Å; Q930-I933 PolarHBondContact O-N 3.28Å; Q930-H934 VanDerWaalsContact O-CB 3.32Å; Q930-H934 WeakPolarHBondContact O-CB 3.16Å; Q930-H934 PolarHBondContact O-N 3.46Å
931	K	79.5	Confident	74.5	Confident	110 Å²	110	86.9 Å²	86.9	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-28	173	-176.9	168.1	-175.1	169.5	0	113.5	Y927 L929 L935	Y927-K931 HydrophobicContact CE1-CD 4.34Å; Y927-K931 WeakPolarHBondContact O-CB 3.25Å; Y927-K931 PolarHBondContact O-N 3.48Å; L929-K931 VanDerWaalsContact C-N 3.32Å; L929-K931 PolarHBondContact O-N 3.28Å; K931-L935 HydrophobicContact CG-CD1 3.86Å; K931-L935 VanDerWaalsContact O-CB 3.29Å; K931-L935 WeakPolarHBondContact O-CB 3.45Å; K931-L935 WeakPolarHBondContact O-CD1 3.26Å; K931-L935 WeakPolarHBondContact O-CG 3.45Å; K931-L935 PolarHBondContact O-N 3.32Å
932	H	80.5	Confident	73.6	Confident	14 Å²	14	83.6 Å²	83.6	7%	0.065	40%	0.399	C	S	.	.	H	α-helix	trans	-76	-46	173.6	153.9	50	0	0	0	111.7	C916 C919 Y923 M928 L929 Q930 H934 L935 T936 H937	C916-H932 WeakPolarHBondContact CB-NE2 3.32Å; C916-H932 PolarHBondContact SG-NE2 2.84Å; C919-H932 VanDerWaalsContact SG-CE1 3.59Å; C919-H932 PolarHBondContact SG-NE2 3.06Å; C919-H932 VanDerWaalsContact SG-NE2 3.44Å; Y923-H932 AromaticContact CD2-CD2 3.87Å; Y923-H932 HydrophobicContact CE1-CB 3.93Å; Y923-H932 HydrophobicContact CE2-CB 4.06Å; Y923-H932 AromaticContact CE2-CD2 3.01Å; Y923-H932 WeakPolarHBondContact CE2-CD2 3.28Å; Y923-H932 AromaticContact CE2-CG 3.63Å; Y923-H932 AromaticContact CE2-NE2 3.63Å; Y923-H932 AromaticContact CZ-CD2 3.33Å; Y923-H932 AromaticContact CZ-CG 3.41Å; Y923-H932 VanDerWaalsContact CZ-CG 3.41Å; Y923-H932 AromaticContact CZ-NE2 3.97Å; Y923-H932 PolarHBondContact OH-CD2 3.32Å; Y923-H932 PolarHBondContact OH-ND1 2.92Å; M928-H932 WeakPolarHBondContact O-CB 3.46Å; M928-H932 PolarHBondContact O-N 2.75Å; M928-H932 VanDerWaalsContact O-N 3.15Å; L929-H932 CarbonylContact O-C 3.56Å; L929-H932 WeakPolarHBondContact O-CA 3.26Å; L929-H932 VanDerWaalsContact O-CB 3.32Å; L929-H932 WeakPolarHBondContact O-CB 3.18Å; L929-H932 PolarHBondContact O-N 3.29Å; Q930-H932 PolarHBondContact O-N 3.47Å; H932-H934 VanDerWaalsContact C-N 3.34Å; H932-H934 PolarHBondContact O-N 3.47Å; H932-L935 PolarHBondContact O-N 3.06Å; H932-L935 VanDerWaalsContact O-N 3.17Å; H932-T936 PolarHBondContact CE1-OG1 2.98Å; H932-T936 PolarHBondContact ND1-OG1 3.02Å; H932-T936 PolarHBondContact O-N 2.95Å; H932-T936 PolarHBondContact O-OG1 2.83Å; H932-H937 AromaticContact CE1-CD2 3.47Å; H932-H937 PolarHBondContact CE1-CD2 3.08Å; H932-H937 VanDerWaalsContact CE1-CD2 3.47Å; H932-H937 AromaticContact CE1-NE2 3.25Å; H932-H937 PolarHBondContact CE1-NE2 3.41Å; H932-H937 VanDerWaalsContact CE1-NE2 3.25Å; H932-H937 AromaticContact NE2-CD2 3.8Å; H932-H937 AromaticContact NE2-NE2 3.62Å
933	I	80.6	Confident	72.7	Confident	46 Å²	46	81.6 Å²	81.6	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-54.4	-54	174.4	-67.5	167.2	0	0	0	109	L929 Q930 L935 T936 H937 E938	L929-I933 HydrophobicContact CD1-CD1 3.78Å; L929-I933 HydrophobicContact CD1-CG1 3.98Å; L929-I933 HydrophobicContact CG-CD1 3.89Å; L929-I933 HydrophobicContact CG-CG1 4.48Å; L929-I933 PolarHBondContact O-N 3.45Å; Q930-I933 PolarHBondContact O-N 3.28Å; I933-L935 PolarHBondContact O-N 2.93Å; I933-L935 VanDerWaalsContact O-N 3.12Å; I933-T936 PolarHBondContact O-N 3.5Å; I933-H937 HydrophobicContact CG2-CB 4.42Å; I933-H937 PolarHBondContact O-N 2.71Å; I933-E938 PolarHBondContact O-N 2.88Å
934	H	75.6	Confident	72.3	Confident	89 Å²	89	82.3 Å²	82.3	41%	0.412	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-24.4	179.9	-171.2	70.9	0	0	0	114.8	Q930 H932 E938 V940	Q930-H934 VanDerWaalsContact O-CB 3.32Å; Q930-H934 WeakPolarHBondContact O-CB 3.16Å; Q930-H934 PolarHBondContact O-N 3.46Å; H932-H934 VanDerWaalsContact C-N 3.34Å; H932-H934 PolarHBondContact O-N 3.47Å; H934-E938 WeakPolarHBondContact CA-OE2 3.29Å; H934-E938 IonicContact CE1-OE2 2.79Å; H934-E938 IonicContact CG-OE2 2.8Å; H934-E938 IonicContact ND1-OE1 3.11Å; H934-E938 IonicContact ND1-OE2 2.72Å; H934-E938 PolarHBondContact ND1-OE2 3.24Å; H934-V940 WeakPolarHBondContact O-CG2 3.19Å
935	L	71.1	Confident	72.3	Confident	59 Å²	59	81.5 Å²	81.5	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-104.7	-2.2	-177.9	-70	176.6	0	0	0	114.7	K931 H932 I933 T954	K931-L935 HydrophobicContact CG-CD1 3.86Å; K931-L935 VanDerWaalsContact O-CB 3.29Å; K931-L935 WeakPolarHBondContact O-CB 3.45Å; K931-L935 WeakPolarHBondContact O-CD1 3.26Å; K931-L935 WeakPolarHBondContact O-CG 3.45Å; K931-L935 PolarHBondContact O-N 3.32Å; H932-L935 PolarHBondContact O-N 3.06Å; H932-L935 VanDerWaalsContact O-N 3.17Å; I933-L935 PolarHBondContact O-N 2.93Å; I933-L935 VanDerWaalsContact O-N 3.12Å; L935-T954 HydrophobicContact CB-CG2 4.31Å; L935-T954 HydrophobicContact CD2-CG2 4.25Å
936	T	67.6	Low	72.1	Confident	73 Å²	73	87.4 Å²	87.4	45%	0.448	43%	0.426	S	S	.	.	H	α-helix	trans	-149.4	-8.8	-174.9	58.4	0	0	0	0	116.3	H932 I933	H932-T936 PolarHBondContact CE1-OG1 2.98Å; H932-T936 PolarHBondContact ND1-OG1 3.02Å; H932-T936 PolarHBondContact O-N 2.95Å; H932-T936 PolarHBondContact O-OG1 2.83Å; I933-T936 PolarHBondContact O-N 3.5Å
937	H	72.6	Confident	72	Confident	59 Å²	59	85.6 Å²	85.6	27%	0.273	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.9	-42.4	-175.1	-65.9	-60.6	0	0	0	112.2	C916 H918 C919 H932 I933 K939	C916-H937 VanDerWaalsContact SG-CD2 3.57Å; H918-H937 HydrophobicContact CB-CB 3.9Å; H918-H937 VanDerWaalsContact CB-CG 3.4Å; H918-H937 VanDerWaalsContact CB-ND1 3.28Å; H918-H937 WeakPolarHBondContact CB-ND1 3.37Å; H918-H937 PolarHBondContact O-CE1 2.68Å; H918-H937 VanDerWaalsContact O-CE1 3.28Å; C919-H937 PolarHBondContact SG-NE2 3.17Å; H932-H937 AromaticContact CE1-CD2 3.47Å; H932-H937 PolarHBondContact CE1-CD2 3.08Å; H932-H937 VanDerWaalsContact CE1-CD2 3.47Å; H932-H937 AromaticContact CE1-NE2 3.25Å; H932-H937 PolarHBondContact CE1-NE2 3.41Å; H932-H937 VanDerWaalsContact CE1-NE2 3.25Å; H932-H937 AromaticContact NE2-CD2 3.8Å; H932-H937 AromaticContact NE2-NE2 3.62Å; I933-H937 HydrophobicContact CG2-CB 4.42Å; I933-H937 PolarHBondContact O-N 2.71Å; H937-K939 PolarHBondContact O-N 3.02Å
938	E	71.7	Confident	71.9	Confident	107 Å²	107	81.1 Å²	81.1	50%	0.5	41%	0.41	S	S	.	.	S	Bend	trans	-63.2	129.9	157.4	-157.4	173.6	171.1	0	0	108	I933 H934 V940	I933-E938 PolarHBondContact O-N 2.88Å; H934-E938 WeakPolarHBondContact CA-OE2 3.29Å; H934-E938 IonicContact CE1-OE2 2.79Å; H934-E938 IonicContact CG-OE2 2.8Å; H934-E938 IonicContact ND1-OE1 3.11Å; H934-E938 IonicContact ND1-OE2 2.72Å; H934-E938 PolarHBondContact ND1-OE2 3.24Å; E938-V940 PolarHBondContact O-N 3.15Å
939	K	56.5	Low	71.7	Confident	194 Å²	194	78.9 Å²	78.9	84%	0.843	41%	0.411	S	S	*	.			trans	-82	55.4	-166.6	-161.7	-176	-179.9	-172.2	0	111.4	H937 E941	H937-K939 PolarHBondContact O-N 3.02Å; K939-E941 PolarHBondContact O-N 3.47Å
940	V	56.3	Low	71.4	Confident	60 Å²	60	80.6 Å²	80.6	36%	0.364	42%	0.423	S	S	.	.			trans	-55.6	109.7	166.6	175.6	0	0	0	0	106.9	H934 E938 A942	H934-V940 WeakPolarHBondContact O-CG2 3.19Å; E938-V940 PolarHBondContact O-N 3.15Å; V940-A942 PolarHBondContact O-N 2.89Å
941	E	54.8	Low	70.9	Confident	165 Å²	165	82.7 Å²	82.7	77%	0.771	43%	0.43	S	S	*	.			trans	-56.1	126.8	-172.3	-60.9	-165.2	123	0	0	109.5	K939 Q943	K939-E941 PolarHBondContact O-N 3.47Å; E941-Q943 VanDerWaalsContact C-N 3.31Å; E941-Q943 PolarHBondContact O-N 3.44Å
942	A	59.6	Low	70.6	Confident	41 Å²	41	78.7 Å²	78.7	34%	0.339	41%	0.414	S	S	.	.			trans	-66.7	92.4	-169.9	0	0	0	0	0	109.4	V940 S944 K951 V952	V940-A942 PolarHBondContact O-N 2.89Å; A942-S944 PolarHBondContact O-N 3.12Å; A942-S944 VanDerWaalsContact O-N 3.1Å; A942-K951 HydrophobicContact CB-CB 4.03Å; A942-K951 WeakPolarHBondContact O-CA 3.41Å; A942-K951 WeakPolarHBondContact O-CB 3.44Å; A942-V952 CarbonylContact C-O 3.58Å
943	Q	61.3	Low	69.7	Low	79 Å²	79	81.4 Å²	81.4	37%	0.369	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.9	117.8	-168.9	-67.8	-178.4	-21.4	0	0	109.4	E941 V952 M958	E941-Q943 VanDerWaalsContact C-N 3.31Å; E941-Q943 PolarHBondContact O-N 3.44Å; Q943-V952 PolarHBondContact N-O 3.18Å; Q943-V952 PolarHBondContact O-N 2.83Å; Q943-M958 HydrophobicContact CB-CE 4.2Å; Q943-M958 WeakPolarHBondContact O-CE 3.39Å
944	S	72.9	Confident	69.1	Low	70 Å²	70	80.6 Å²	80.6	49%	0.49	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.5	173.2	41	0	0	0	0	108.8	A942 H946 G949 T950	A942-S944 PolarHBondContact O-N 3.12Å; A942-S944 VanDerWaalsContact O-N 3.1Å; S944-H946 PolarHBondContact O-N 2.78Å; S944-G949 WeakPolarHBondContact CB-O 3.35Å; S944-T950 WeakPolarHBondContact CA-O 3.49Å
945	C	77.9	Confident	68.8	Low	0 Å²	0	85 Å²	85	0%	0	45%	0.445	C	S	.	.			trans	-69.9	115.5	170.3	-177.6	0	0	0	0	107.6	L947 C948 G949 T950 M958 H961	C945-L947 PolarHBondContact O-N 2.73Å; C945-C948 PolarHBondContact O-N 2.79Å; C945-G949 WeakPolarHBondContact O-CA 3.21Å; C945-G949 PolarHBondContact O-N 2.9Å; C945-T950 WeakPolarHBondContact CB-OG1 3.34Å; C945-T950 PolarHBondContact N-O 2.86Å; C945-M958 HydrophobicContact CB-CE 3.86Å; C945-M958 HydrophobicContact CB-SD 3.83Å; C945-H961 WeakPolarHBondContact CB-NE2 3.35Å; C945-H961 VanDerWaalsContact SG-CD2 3.58Å; C945-H961 PolarHBondContact SG-NE2 2.92Å
946	H	73.8	Confident	68.5	Low	156 Å²	156	85.4 Å²	85.4	72%	0.722	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.4	178.8	33.6	-90.3	0	0	0	113.2	S944	S944-H946 PolarHBondContact O-N 2.78Å
947	L	74.6	Confident	68.8	Low	77 Å²	77	83.1 Å²	83.1	40%	0.403	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-8	178.1	-52	176.1	0	0	0	115.2	C945 L962 H966 V969	C945-L947 PolarHBondContact O-N 2.73Å; L947-L962 HydrophobicContact CD1-CD2 3.95Å; L947-H966 VanDerWaalsContact CB-CE1 3.44Å; L947-H966 WeakPolarHBondContact CB-CE1 3.43Å; L947-H966 HydrophobicContact CD1-CB 3.66Å; L947-H966 PolarHBondContact O-CE1 2.72Å; L947-V969 HydrophobicContact CD1-CB 4.15Å; L947-V969 HydrophobicContact CD1-CG1 4.44Å; L947-V969 HydrophobicContact CD1-CG2 3.7Å
948	C	78.1	Confident	68.9	Low	60 Å²	60	80.9 Å²	80.9	41%	0.405	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.5	14.1	179.5	62.3	0	0	0	0	116	C945 T950 H961 H966	C945-C948 PolarHBondContact O-N 2.79Å; C948-T950 PolarHBondContact O-N 2.96Å; C948-T950 PolarHBondContact SG-OG1 2.79Å; C948-T950 VanDerWaalsContact SG-OG1 3.4Å; C948-H961 PolarHBondContact SG-CE1 3.4Å; C948-H961 PolarHBondContact SG-NE2 2.69Å; C948-H966 PolarHBondContact SG-NE2 3.43Å
949	G	74.9	Confident	68.9	Low	49 Å²	49	79.4 Å²	79.4	51%	0.505	43%	0.43	S	S	.	.			trans	70	-17	178.9	0	0	0	0	0	116.7	S944 C945 K951	S944-G949 WeakPolarHBondContact CB-O 3.35Å; C945-G949 WeakPolarHBondContact O-CA 3.21Å; C945-G949 PolarHBondContact O-N 2.9Å; G949-K951 PolarHBondContact O-N 2.75Å; G949-K951 VanDerWaalsContact O-N 3.07Å
950	T	78.2	Confident	69.9	Low	55 Å²	55	77.2 Å²	77.2	34%	0.337	42%	0.416	S	S	.	.			trans	-56.9	116.4	-171.7	59.6	0	0	0	0	111.7	S944 C945 C948 V952 H961	S944-T950 WeakPolarHBondContact CA-O 3.49Å; C945-T950 WeakPolarHBondContact CB-OG1 3.34Å; C945-T950 PolarHBondContact N-O 2.86Å; C948-T950 PolarHBondContact O-N 2.96Å; C948-T950 PolarHBondContact SG-OG1 2.79Å; C948-T950 VanDerWaalsContact SG-OG1 3.4Å; T950-V952 WeakPolarHBondContact O-CG2 3.23Å; T950-H961 PolarHBondContact OG1-CE1 3.27Å; T950-H961 VanDerWaalsContact OG1-CE1 3.3Å; T950-H961 PolarHBondContact OG1-NE2 3.18Å
951	K	71	Confident	71	Confident	173 Å²	173	76.2 Å²	76.2	75%	0.752	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.1	179.3	-64.8	-177.3	-178.9	-178.5	0	110	A942 G949	A942-K951 HydrophobicContact CB-CB 4.03Å; A942-K951 WeakPolarHBondContact O-CA 3.41Å; A942-K951 WeakPolarHBondContact O-CB 3.44Å; G949-K951 PolarHBondContact O-N 2.75Å; G949-K951 VanDerWaalsContact O-N 3.07Å
952	V	72.9	Confident	72	Confident	26 Å²	26	70 Å²	70	16%	0.158	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.6	-176.4	-150.5	0	0	0	0	110.8	A942 Q943 T950 T954 S957 M958 H961	A942-V952 CarbonylContact C-O 3.58Å; Q943-V952 PolarHBondContact N-O 3.18Å; Q943-V952 PolarHBondContact O-N 2.83Å; T950-V952 WeakPolarHBondContact O-CG2 3.23Å; V952-T954 VanDerWaalsContact C-N 3.25Å; V952-T954 PolarHBondContact O-N 3.06Å; V952-S957 VanDerWaalsContact CG1-CB 3.47Å; V952-S957 WeakPolarHBondContact CG1-OG 3.48Å; V952-M958 HydrophobicContact CB-CE 4.12Å; V952-M958 HydrophobicContact CG2-CE 3.64Å; V952-M958 HydrophobicContact CG2-SD 4.32Å; V952-H961 HydrophobicContact CG2-CB 4.47Å
953	S	61.9	Low	72.8	Confident	72 Å²	72	75.4 Å²	75.4	50%	0.503	39%	0.391	S	S	.	.	S	Bend	trans	-67	-10.9	-166.7	54.2	0	0	0	0	116.9
954	T	68.8	Low	73.5	Confident	29 Å²	29	80.8 Å²	80.8	18%	0.178	41%	0.408	C	S	.	.	S	Bend	trans	-142.8	148.9	174.4	79.9	0	0	0	0	112.3	L935 V952 A956 S957 M958	L935-T954 HydrophobicContact CB-CG2 4.31Å; L935-T954 HydrophobicContact CD2-CG2 4.25Å; V952-T954 VanDerWaalsContact C-N 3.25Å; V952-T954 PolarHBondContact O-N 3.06Å; T954-A956 PolarHBondContact O-N 3.07Å; T954-A956 VanDerWaalsContact O-N 3.15Å; T954-A956 PolarHBondContact OG1-N 3.2Å; T954-S957 PolarHBondContact N-OG 3.31Å; T954-S957 PolarHBondContact O-N 2.94Å; T954-S957 PolarHBondContact O-OG 3.3Å; T954-S957 PolarHBondContact OG1-N 3.03Å; T954-S957 VanDerWaalsContact OG1-N 3.08Å; T954-S957 PolarHBondContact OG1-OG 2.82Å; T954-M958 PolarHBondContact O-N 3.42Å
955	R	67.6	Low	73.5	Confident	180 Å²	180	84.3 Å²	84.3	68%	0.679	42%	0.415	S	S	*	.	H	α-helix	trans	-56.1	-28.1	172.6	-178.8	173.6	-83.5	-177.7	-8.3	113.2	N959	R955-N959 PolarHBondContact O-N 3.2Å; R955-N959 PolarHBondContact O-ND2 2.87Å
956	A	65.9	Low	73.3	Confident	69 Å²	69	85.8 Å²	85.8	57%	0.57	42%	0.421	S	S	*	.	H	α-helix	trans	-78	-30	176.6	0	0	0	0	0	113.3	T954 R960	T954-A956 PolarHBondContact O-N 3.07Å; T954-A956 VanDerWaalsContact O-N 3.15Å; T954-A956 PolarHBondContact OG1-N 3.2Å; A956-R960 PolarHBondContact O-N 3.23Å
957	S	74	Confident	72.8	Confident	24 Å²	24	81.7 Å²	81.7	17%	0.168	41%	0.408	C	S	.	.	H	α-helix	trans	-79	-32.4	168.4	41.6	0	0	0	0	111.9	V952 T954 R960 H961	V952-S957 VanDerWaalsContact CG1-CB 3.47Å; V952-S957 WeakPolarHBondContact CG1-OG 3.48Å; T954-S957 PolarHBondContact N-OG 3.31Å; T954-S957 PolarHBondContact O-N 2.94Å; T954-S957 PolarHBondContact O-OG 3.3Å; T954-S957 PolarHBondContact OG1-N 3.03Å; T954-S957 VanDerWaalsContact OG1-N 3.08Å; T954-S957 PolarHBondContact OG1-OG 2.82Å; S957-R960 CarbonylContact O-C 3.53Å; S957-R960 WeakPolarHBondContact O-CB 3.38Å; S957-R960 PolarHBondContact O-N 2.84Å; S957-H961 WeakPolarHBondContact O-CB 3.44Å; S957-H961 PolarHBondContact O-N 2.96Å
958	M	74.2	Confident	72	Confident	12 Å²	12	85.9 Å²	85.9	6%	0.059	43%	0.426	C	S	.	.	H	α-helix	trans	-60	-49.5	170.6	-179.2	54.3	73.9	0	0	111.6	Q943 C945 V952 T954 R960 H961 L962	Q943-M958 HydrophobicContact CB-CE 4.2Å; Q943-M958 WeakPolarHBondContact O-CE 3.39Å; C945-M958 HydrophobicContact CB-CE 3.86Å; C945-M958 HydrophobicContact CB-SD 3.83Å; V952-M958 HydrophobicContact CB-CE 4.12Å; V952-M958 HydrophobicContact CG2-CE 3.64Å; V952-M958 HydrophobicContact CG2-SD 4.32Å; T954-M958 PolarHBondContact O-N 3.42Å; M958-R960 PolarHBondContact O-N 3.25Å; M958-H961 WeakPolarHBondContact O-CB 3.4Å; M958-H961 PolarHBondContact O-N 2.92Å; M958-L962 HydrophobicContact CG-CD1 4.1Å; M958-L962 HydrophobicContact CG-CG 4.49Å; M958-L962 WeakPolarHBondContact O-CG 3.33Å; M958-L962 PolarHBondContact O-N 3.35Å; M958-L962 HydrophobicContact SD-CD1 4.32Å; M958-L962 HydrophobicContact SD-CG 4.15Å
959	N	72.7	Confident	71	Confident	77 Å²	77	87.5 Å²	87.5	41%	0.412	43%	0.434	S	S	.	.	H	α-helix	trans	-58.1	-32.5	174.4	-91.1	-96	0	0	0	113.3	R955 R963	R955-N959 PolarHBondContact O-N 3.2Å; R955-N959 PolarHBondContact O-ND2 2.87Å; N959-R963 WeakPolarHBondContact O-CB 3.46Å; N959-R963 WeakPolarHBondContact O-CD 3.32Å; N959-R963 VanDerWaalsContact O-CG 3.23Å; N959-R963 WeakPolarHBondContact O-CG 3.32Å; N959-R963 PolarHBondContact O-N 2.84Å
960	R	76.9	Confident	70.1	Confident	147 Å²	147	86.5 Å²	86.5	56%	0.555	42%	0.421	S	S	*	.	H	α-helix	trans	-77.4	-31.6	176.8	-163.6	-166.4	-45.1	177.4	8.9	112.5	A956 S957 M958 R964	A956-R960 PolarHBondContact O-N 3.23Å; S957-R960 CarbonylContact O-C 3.53Å; S957-R960 WeakPolarHBondContact O-CB 3.38Å; S957-R960 PolarHBondContact O-N 2.84Å; M958-R960 PolarHBondContact O-N 3.25Å; R960-R964 WeakPolarHBondContact O-CB 3.49Å; R960-R964 WeakPolarHBondContact O-CD 3.31Å; R960-R964 WeakPolarHBondContact O-CG 3.18Å; R960-R964 PolarHBondContact O-N 2.35Å
961	H	79.4	Confident	68.9	Low	39 Å²	39	88.8 Å²	88.8	18%	0.181	44%	0.437	C	S	.	.	H	α-helix	trans	-68.8	-53.2	173.6	169	76.7	0	0	0	110.4	C945 C948 T950 V952 S957 M958 R963 R964 K965 H966	C945-H961 WeakPolarHBondContact CB-NE2 3.35Å; C945-H961 VanDerWaalsContact SG-CD2 3.58Å; C945-H961 PolarHBondContact SG-NE2 2.92Å; C948-H961 PolarHBondContact SG-CE1 3.4Å; C948-H961 PolarHBondContact SG-NE2 2.69Å; T950-H961 PolarHBondContact OG1-CE1 3.27Å; T950-H961 VanDerWaalsContact OG1-CE1 3.3Å; T950-H961 PolarHBondContact OG1-NE2 3.18Å; V952-H961 HydrophobicContact CG2-CB 4.47Å; S957-H961 WeakPolarHBondContact O-CB 3.44Å; S957-H961 PolarHBondContact O-N 2.96Å; M958-H961 WeakPolarHBondContact O-CB 3.4Å; M958-H961 PolarHBondContact O-N 2.92Å; H961-R963 VanDerWaalsContact C-N 3.35Å; H961-R963 PolarHBondContact O-N 3.07Å; H961-R964 CarbonylContact O-C 3.53Å; H961-R964 WeakPolarHBondContact O-CA 3.43Å; H961-R964 PolarHBondContact O-N 3.08Å; H961-K965 VanDerWaalsContact CE1-CG 3.46Å; H961-K965 WeakPolarHBondContact CE1-CG 3.41Å; H961-K965 PolarHBondContact O-N 3.13Å; H961-H966 AromaticContact NE2-CD2 3.12Å; H961-H966 PolarHBondContact NE2-CD2 3.12Å; H961-H966 AromaticContact NE2-CE1 3.98Å; H961-H966 AromaticContact NE2-NE2 2.69Å; H961-H966 PolarHBondContact NE2-NE2 2.85Å
962	L	76.3	Confident	67.4	Low	35 Å²	35	88.5 Å²	88.5	18%	0.183	44%	0.44	C	S	.	.	H	α-helix	trans	-51.2	-52.7	174.7	-68.8	167.9	0	0	0	110.8	L947 M958 R964 K965 H966	L947-L962 HydrophobicContact CD1-CD2 3.95Å; M958-L962 HydrophobicContact CG-CD1 4.1Å; M958-L962 HydrophobicContact CG-CG 4.49Å; M958-L962 WeakPolarHBondContact O-CG 3.33Å; M958-L962 PolarHBondContact O-N 3.35Å; M958-L962 HydrophobicContact SD-CD1 4.32Å; M958-L962 HydrophobicContact SD-CG 4.15Å; L962-R964 PolarHBondContact O-N 3Å; L962-K965 PolarHBondContact O-N 3.19Å; L962-H966 HydrophobicContact CD2-CB 4.33Å; L962-H966 CarbonylContact O-C 3.08Å; L962-H966 WeakPolarHBondContact O-CA 2.92Å; L962-H966 PolarHBondContact O-N 3.1Å
963	R	75.4	Confident	66	Low	155 Å²	155	93.7 Å²	93.7	59%	0.585	46%	0.457	S	S	*	.	H	α-helix	trans	-65	-1.2	176.5	-69.1	174.9	-175.7	-81.1	-7	116.2	N959 H961 A970	N959-R963 WeakPolarHBondContact O-CB 3.46Å; N959-R963 WeakPolarHBondContact O-CD 3.32Å; N959-R963 VanDerWaalsContact O-CG 3.23Å; N959-R963 WeakPolarHBondContact O-CG 3.32Å; N959-R963 PolarHBondContact O-N 2.84Å; H961-R963 VanDerWaalsContact C-N 3.35Å; H961-R963 PolarHBondContact O-N 3.07Å; R963-A970 HydrophobicContact CG-CB 4.18Å
964	R	77.1	Confident	64.9	Low	192 Å²	192	97.8 Å²	97.8	73%	0.725	47%	0.472	S	S	*	.	H	α-helix	trans	-125.7	-19.4	-179.9	-75.4	179.1	171.7	-161.2	-6.2	114.7	R960 H961 L962	R960-R964 WeakPolarHBondContact O-CB 3.49Å; R960-R964 WeakPolarHBondContact O-CD 3.31Å; R960-R964 WeakPolarHBondContact O-CG 3.18Å; R960-R964 PolarHBondContact O-N 2.35Å; H961-R964 CarbonylContact O-C 3.53Å; H961-R964 WeakPolarHBondContact O-CA 3.43Å; H961-R964 PolarHBondContact O-N 3.08Å; L962-R964 PolarHBondContact O-N 3Å
965	K	71.4	Confident	63.4	Low	144 Å²	144	104.3 Å²	104.3	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-126.4	-18.2	-176.9	-74	-63.8	-167.2	173.6	0	113.5	H961 L962 P967	H961-K965 VanDerWaalsContact CE1-CG 3.46Å; H961-K965 WeakPolarHBondContact CE1-CG 3.41Å; H961-K965 PolarHBondContact O-N 3.13Å; L962-K965 PolarHBondContact O-N 3.19Å; K965-P967 VanDerWaalsContact C-CD 3.43Å
966	H	75.1	Confident	61.9	Low	31 Å²	31	101.9 Å²	101.9	14%	0.144	50%	0.502	C	S	.	.			trans	-133	56.4	174.2	-53.1	-74.3	0	0	0	110.3	L947 C948 H961 L962 E968 V969	L947-H966 VanDerWaalsContact CB-CE1 3.44Å; L947-H966 WeakPolarHBondContact CB-CE1 3.43Å; L947-H966 HydrophobicContact CD1-CB 3.66Å; L947-H966 PolarHBondContact O-CE1 2.72Å; C948-H966 PolarHBondContact SG-NE2 3.43Å; H961-H966 AromaticContact NE2-CD2 3.12Å; H961-H966 PolarHBondContact NE2-CD2 3.12Å; H961-H966 AromaticContact NE2-CE1 3.98Å; H961-H966 AromaticContact NE2-NE2 2.69Å; H961-H966 PolarHBondContact NE2-NE2 2.85Å; L962-H966 HydrophobicContact CD2-CB 4.33Å; L962-H966 CarbonylContact O-C 3.08Å; L962-H966 WeakPolarHBondContact O-CA 2.92Å; L962-H966 PolarHBondContact O-N 3.1Å; H966-E968 PolarHBondContact O-N 2.79Å; H966-V969 HydrophobicContact CB-CG2 4.46Å; H966-V969 PolarHBondContact O-N 2.74Å; H966-V969 VanDerWaalsContact O-N 3.08Å
967	P	61.9	Low	60.3	Low	69 Å²	69	107 Å²	107	45%	0.448	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-60	-29.1	178.8	26.3	-31.9	0	0	0	111.8	K965 V969 A970 P971	K965-P967 VanDerWaalsContact C-CD 3.43Å; P967-V969 PolarHBondContact O-N 2.69Å; P967-V969 VanDerWaalsContact O-N 3.13Å; P967-A970 WeakPolarHBondContact O-CB 3.42Å; P967-A970 PolarHBondContact O-N 2.92Å; P967-P971 VanDerWaalsContact O-CD 3.31Å; P967-P971 WeakPolarHBondContact O-CD 3.44Å
968	E	59.1	Low	58.3	Low	165 Å²	165	111.9 Å²	111.9	77%	0.771	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-46.7	-37.9	170.3	-40	-46.8	118.5	0	0	113.6	H966	H966-E968 PolarHBondContact O-N 2.79Å
969	V	57	Low	56.5	Low	94 Å²	94	117.8 Å²	117.8	57%	0.57	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-102.3	4.7	-174.6	-160.6	0	0	0	0	111.5	L947 H966 P967	L947-V969 HydrophobicContact CD1-CB 4.15Å; L947-V969 HydrophobicContact CD1-CG1 4.44Å; L947-V969 HydrophobicContact CD1-CG2 3.7Å; H966-V969 HydrophobicContact CB-CG2 4.46Å; H966-V969 PolarHBondContact O-N 2.74Å; H966-V969 VanDerWaalsContact O-N 3.08Å; P967-V969 PolarHBondContact O-N 2.69Å; P967-V969 VanDerWaalsContact O-N 3.13Å
970	A	56.1	Low	54.4	Low	29 Å²	29	123.5 Å²	123.5	24%	0.24	59%	0.59	C	S	.	*	S	Bend	trans	-87.1	-18.3	-175.2	0	0	0	0	0	117.3	R963 P967	R963-A970 HydrophobicContact CG-CB 4.18Å; P967-A970 WeakPolarHBondContact O-CB 3.42Å; P967-A970 PolarHBondContact O-N 2.92Å
971	P	51.5	Low	52.3	Low	103 Å²	103	125.4 Å²	125.4	67%	0.669	61%	0.605	S	S	*	*	S	Bend	trans	-116.4	28.2	-176.7	43	-35.2	0	0	0	115	P967	P967-P971 VanDerWaalsContact O-CD 3.31Å; P967-P971 WeakPolarHBondContact O-CD 3.44Å
972	M	39.3	Very low	50	Low	166 Å²	166	132.3 Å²	132.3	82%	0.818	64%	0.637	S	S	*	*	S	Bend	trans	-128.2	150.7	169.6	-86.1	-61.3	-145.3	0	0	112.6
973	R	44.8	Very low	47.6	Very low	136 Å²	136	137.4 Å²	137.4	51%	0.513	67%	0.665	S	S	.	*			trans	60.4	92.1	-178.9	-51	-170.5	78.4	77.5	-4.3	115.5	E976 F977	R973-E976 IonicContact CZ-OE2 3.64Å; R973-E976 IonicContact NH1-OE2 2.86Å; R973-E976 PolarHBondContact NH1-OE2 2.74Å; R973-E976 VanDerWaalsContact NH2-CD 3.33Å; R973-E976 VanDerWaalsContact NH2-CG 3.3Å; R973-E976 PolarHBondContact NH2-O 3.01Å; R973-E976 IonicContact NH2-OE2 3.07Å; R973-E976 PolarHBondContact NH2-OE2 3.11Å; R973-F977 VanDerWaalsContact NE-CE2 3.33Å
974	L	39.3	Very low	45.3	Very low	157 Å²	157	134.5 Å²	134.5	82%	0.822	67%	0.668	S	S	*	*	S	Bend	trans	-126.2	-2.3	156.2	-107.5	177	0	0	0	114.5
975	D	36	Very low	43	Very low	166 Å²	166	131.6 Å²	131.6	89%	0.888	67%	0.672	S	S	*	*	S	Bend	trans	-126.6	19.3	-175.4	-66.3	-71.5	0	0	0	113.4
976	E	36.7	Very low	40.8	Very low	130 Å²	130	131 Å²	131	61%	0.607	68%	0.68	S	S	*	*	S	Bend	trans	-151.9	65.8	177.3	-162.6	-178	-133.9	0	0	112	R973	R973-E976 IonicContact CZ-OE2 3.64Å; R973-E976 IonicContact NH1-OE2 2.86Å; R973-E976 PolarHBondContact NH1-OE2 2.74Å; R973-E976 VanDerWaalsContact NH2-CD 3.33Å; R973-E976 VanDerWaalsContact NH2-CG 3.3Å; R973-E976 PolarHBondContact NH2-O 3.01Å; R973-E976 IonicContact NH2-OE2 3.07Å; R973-E976 PolarHBondContact NH2-OE2 3.11Å
977	F	32.9	Very low	38.4	Very low	175 Å²	175	135.7 Å²	135.7	77%	0.768	71%	0.711	S	S	*	*			trans	-166.3	67.2	169.3	-100.1	-61.9	0	0	0	110.2	R973	R973-F977 VanDerWaalsContact NE-CE2 3.33Å
978	D	31.2	Very low	36.7	Very low	127 Å²	127	139.3 Å²	139.3	68%	0.679	73%	0.727	S	S	*	*	S	Bend	trans	-142.2	20.5	169.4	-154.8	38.8	0	0	0	110.9	K856	K856-D978 IonicContact NZ-OD2 2.69Å; K856-D978 PolarHBondContact NZ-OD2 3.45Å
979	D	37.5	Very low	35.5	Very low	136 Å²	136	136.8 Å²	136.8	73%	0.727	73%	0.727	S	S	*	*	S	Bend	trans	-137.9	141.7	175.7	-87.2	-63.4	0	0	0	108.9
980	F	28.6	Very low	34.4	Very low	198 Å²	198	137.2 Å²	137.2	87%	0.868	73%	0.734	S	S	*	*	S	Bend	trans	48.3	82.2	178.9	-60	-75.9	0	0	0	118
981	Q	31.6	Very low	33.2	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	76%	0.764	S	S	*	*				-159.7	64.9	115.6	-152.4	165.3	18.7	0	0	113.2
982	E	31.4	Very low	32.1	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	77%	0.769	S	S	*	*			trans	-84.7	125.5	141.8	-82	-169	146.1	0	0	107.7
983	N	26.1	Very low	31.6	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	77%	0.769	S	S	*	*			trans	169.4	147.3	158.5	-96.5	-23.7	0	0	0	108.9
984	S	25.9	Very low	30.7	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	79%	0.786	S	S	*	*			cis	-162.7	167.8	-23.7	-119.7	0	0	0	0	108.6
985	T	28.7	Very low	30.2	Very low	131 Å²	131	143.7 Å²	143.7	80%	0.804	79%	0.787	S	S	*	*			trans	-64.9	138	166.3	42.4	0	0	0	0	110.4
986	V	26.5	Very low	31	Very low	130 Å²	130	141 Å²	141	79%	0.788	78%	0.779	S	S	*	*			trans	-67.8	133.4	-175.8	177.5	0	0	0	0	111.7
987	T	24.3	Very low	30.4	Very low	131 Å²	131	140.6 Å²	140.6	80%	0.804	79%	0.786	S	S	*	*			trans	-118.2	135.1	159.6	50.5	0	0	0	0	109.2
988	N	26.5	Very low	30	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	79%	0.787	S	S	*	*			trans	-74.7	139.1	179.6	-66.2	-24.3	0	0	0	111.6
989	S	33.8	Very low	29.8	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	78%	0.783	S	S	*	*				176.4	142.8	116.7	-77.2	0	0	0	0	114.3
990	S	33.5	Very low	29.4	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	79%	0.786	S	S	*	*			trans	56.5	89.1	145.2	-54.6	0	0	0	0	121.6
991	I	31.2	Very low	29.3	Very low	167 Å²	167	135.6 Å²	135.6	86%	0.856	78%	0.776	S	S	*	*				44.7	121	113.8	-57.2	165.6	0	0	0	118.6
992	G	27.8	Very low	29.2	Very low	76 Å²	76	133.7 Å²	133.7	78%	0.784	77%	0.765	S	S	*	*			trans	-162.6	117.4	156.4	0	0	0	0	0	110.7
993	I	30.1	Very low	28.9	Very low	158 Å²	158	131.3 Å²	131.3	81%	0.81	76%	0.758	S	S	*	*			trans	-119.9	135	-177.1	-62.6	171.6	0	0	0	109.3
994	V	26	Very low	28.8	Very low	144 Å²	144	129.2 Å²	129.2	87%	0.873	76%	0.755	S	S	*	*			trans	-177.6	157.9	136.9	143.2	0	0	0	0	109.5
995	Q	28.3	Very low	28.6	Very low	182 Å²	182	132.6 Å²	132.6	85%	0.85	76%	0.762	S	S	*	*			trans	-93.8	168.8	-171.6	-97.9	-166.5	-2.2	0	0	114.9
996	P	51.9	Low	28.4	Very low	109 Å²	109	131 Å²	131	71%	0.708	76%	0.756	S	S	*	*			trans	-101.4	169.2	-174.7	40.5	-35.9	0	0	0	113.8
997	T	25.5	Very low	28.3	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	75%	0.753	S	S	*	*			trans	-157.2	130	161.5	31.5	0	0	0	0	113.8
998	L	24.8	Very low	28.2	Very low	153 Å²	153	133.5 Å²	133.5	80%	0.801	75%	0.75	S	S	*	*			trans	65.2	158.8	137.5	-55.1	171.4	0	0	0	118.7
999	S	25.9	Very low	28.2	Very low	83 Å²	83	135.8 Å²	135.8	58%	0.58	75%	0.753	S	S	*	*			cis	-176.8	164	-26.2	-98.1	0	0	0	0	110.1
1000	L	29.1	Very low	28.1	Very low	154 Å²	154	136 Å²	136	81%	0.806	75%	0.751	S	S	*	*			trans	65.5	159.1	153	-72.7	160.4	0	0	0	115.1
1001	E	27.4	Very low	27.6	Very low	141 Å²	141	137.3 Å²	137.3	66%	0.659	76%	0.755	S	S	*	*			cis	-137.2	144.9	-4	-87.2	-129.2	138.3	0	0	105.8
1002	K	28.9	Very low	27.5	Very low	147 Å²	147	140.3 Å²	140.3	64%	0.639	76%	0.756	S	S	*	*				102.1	137.6	56	-170.8	-166.2	169.5	-170.3	0	111.5
1003	D	24.3	Very low	27.6	Very low	133 Å²	133	143.1 Å²	143.1	71%	0.711	76%	0.76	S	S	*	*			trans	58.4	163.2	165	-67.2	-23.2	0	0	0	119.7
1004	S	23.8	Very low	27.3	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	75%	0.754	S	S	*	*			cis	-159.4	143.9	-38.8	60.9	0	0	0	0	112.3
1005	M	22.2	Very low	27.3	Very low	166 Å²	166	146.3 Å²	146.3	82%	0.818	76%	0.756	S	S	*	*			trans	45.2	124.1	150.7	-62.3	-164	69.1	0	0	124.1
1006	S	23.9	Very low	27.2	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	75%	0.752	S	S	*	*			trans	77.1	165.7	136.7	83.1	0	0	0	0	119
1007	H	24.8	Very low	26.9	Very low	154 Å²	154	145.3 Å²	145.3	71%	0.713	75%	0.75	S	S	*	*			cis	-149.1	166	7.3	-136.2	-69.4	0	0	0	111.8
1008	E	22.5	Very low	26.8	Very low	159 Å²	159	148.1 Å²	148.1	74%	0.743	75%	0.752	S	S	*	*			trans	74.1	169	159	-62.1	-53.6	87	0	0	122.9
1009	K	27.5	Very low	26.8	Very low	192 Å²	192	150.7 Å²	150.7	84%	0.835	76%	0.757	S	S	*	*			trans	-115.4	174.6	-168.8	-82.4	169.3	-175.2	161.6	0	108.5
1010	P	31.5	Very low	26.9	Very low	115 Å²	115	156.4 Å²	156.4	75%	0.747	77%	0.771	S	S	*	*			cis	-156.7	165.5	39.9	42.7	-19.2	0	0	0	122.1
1011	V	22.8	Very low	26.9	Very low	131 Å²	131	157 Å²	157	79%	0.794	77%	0.77	S	S	*	*			trans	52.2	112.2	137.5	178.8	0	0	0	0	122
1012	R	28.5	Very low	26.7	Very low	231 Å²	231	160.4 Å²	160.4	87%	0.872	78%	0.776	S	S	*	*			trans	3.8	141.6	137.5	-61.2	179.3	174.3	178.6	-1.4	118.6
1013	P	29.7	Very low	26.5	Very low	135 Å²	135	159.5 Å²	159.5	88%	0.877	78%	0.783	S	S	*	*				-135.5	-175.9	88.6	38.6	-27.7	0	0	0	115.4
1014	N	25	Very low	26.5	Very low	128 Å²	128	160.5 Å²	160.5	68%	0.684	79%	0.787	S	S	*	*			trans	-132.8	129.8	-173.7	158.6	29	0	0	0	109.7
1015	R	25	Very low	26.5	Very low	240 Å²	240	161.7 Å²	161.7	91%	0.906	79%	0.79	S	S	*	*			trans	-170	143	144	-106.6	156.7	-173.6	-169.9	1.3	115.5
1016	H	26	Very low	27	Very low	166 Å²	166	162.3 Å²	162.3	77%	0.769	79%	0.791	S	S	*	*			trans	-56.7	-175.1	161.3	-58.7	-71.8	0	0	0	114.7
1017	P	46.1	Very low	27.8	Very low	104 Å²	104	162.4 Å²	162.4	68%	0.675	79%	0.79	S	S	*	*			cis	-142.6	-167.4	-32.3	29.2	-5.8	0	0	0	114.9
1018	K	24.1	Very low	27.9	Very low	183 Å²	183	162 Å²	162	80%	0.796	79%	0.788	S	S	*	*			trans	104.9	132.6	139.9	-79.8	166.9	-179.7	179.1	0	121.6
1019	K	23.4	Very low	28.1	Very low	206 Å²	206	161 Å²	161	90%	0.896	79%	0.787	S	S	*	*			trans	69.6	151	142.7	-78	-166.9	170.7	-169.2	0	121.5
1020	K	29.3	Very low	28.2	Very low	204 Å²	204	156.7 Å²	156.7	89%	0.887	78%	0.781	S	S	*	*			trans	-76.7	162.6	179.8	-45.9	170.6	177.6	-179.7	0	112
1021	Q	28.2	Very low	27.8	Very low	165 Å²	165	160.3 Å²	160.3	77%	0.771	79%	0.788	S	S	*	*				-179.9	151.2	108.8	-168.4	144.3	-26.4	0	0	113.2
1022	R	23.2	Very low	28.1	Very low	213 Å²	213	158.6 Å²	158.6	80%	0.804	78%	0.782	S	S	*	*			trans	30.1	122.2	162.4	-76.1	-175.8	175.5	177.5	-3.1	120.1
1023	V	23.8	Very low	28	Very low	128 Å²	128	154.8 Å²	154.8	78%	0.776	78%	0.779	S	S	*	*				52.3	117.1	72.3	-172.4	0	0	0	0	111.8
1024	L	25.1	Very low	28	Very low	154 Å²	154	154.7 Å²	154.7	81%	0.806	77%	0.771	S	S	*	*				-174	173.4	75.6	-167.1	62.5	0	0	0	112.3
1025	V	24.7	Very low	28	Very low	123 Å²	123	159 Å²	159	75%	0.745	78%	0.779	S	S	*	*			trans	78.4	134.9	161.8	-135.9	0	0	0	0	119.7
1026	E	31	Very low	28.3	Very low	180 Å²	180	150.8 Å²	150.8	84%	0.841	77%	0.769	S	S	*	*			trans	-84.9	-140.6	156.4	-52	-176	122.9	0	0	108.8
1027	P	42.5	Very low	28	Very low	100 Å²	100	150.7 Å²	150.7	65%	0.649	77%	0.774	S	S	*	*			cis	-118.5	-169.4	14	29.8	-3.6	0	0	0	112.5
1028	E	26.8	Very low	27.2	Very low	146 Å²	146	154.6 Å²	154.6	68%	0.682	78%	0.78	S	S	*	*				-174.8	148.6	75.7	-97.8	-65.7	79.4	0	0	114.7
1029	L	25.5	Very low	27.2	Very low	137 Å²	137	152.7 Å²	152.7	72%	0.717	79%	0.785	S	S	*	*			trans	64.4	126.2	158.1	-56.1	163.6	0	0	0	119.5
1030	S	29.2	Very low	27.5	Very low	102 Å²	102	150.5 Å²	150.5	71%	0.713	78%	0.778	S	S	*	*			cis	100.6	122.5	4.1	90.3	0	0	0	0	119.4
1031	E	23.1	Very low	27.8	Very low	191 Å²	191	145.9 Å²	145.9	89%	0.893	77%	0.768	S	S	*	*			trans	-169.2	124.1	152.8	-104.6	166.5	-173.7	0	0	106.6
1032	S	30.2	Very low	27.8	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	77%	0.767	S	S	*	*				85	135	77.9	-178.1	0	0	0	0	113.2
1033	D	25.8	Very low	27.8	Very low	150 Å²	150	145.1 Å²	145.1	80%	0.802	77%	0.765	S	S	*	*			cis	-173.2	168.9	-14.4	-87.5	-36.6	0	0	0	107.1
1034	D	29.6	Very low	27.9	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	76%	0.764	S	S	*	*			cis	-168.2	-175.9	-19.2	177.3	-140.1	0	0	0	108.1
1035	Y	26.6	Very low	28.5	Very low	220 Å²	220	141.7 Å²	141.7	86%	0.863	76%	0.762	S	S	*	*			trans	71.7	146.2	176.3	-86.2	-103.8	0	0	0	118.4
1036	G	29.9	Very low	28.4	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	76%	0.761	S	S	*	*			cis	162.3	153.5	-10.4	0	0	0	0	0	115.3
1037	D	19.8	Very low	28.8	Very low	164 Å²	164	140.2 Å²	140.2	88%	0.877	76%	0.76	S	S	*	*			trans	99.9	158	164.8	-148.3	17.5	0	0	0	121.3
1038	F	30.4	Very low	28	Very low	186 Å²	186	142.1 Å²	142.1	82%	0.816	76%	0.76	S	S	*	*			trans	-114.2	154.7	-159.6	-102.7	-111.9	0	0	0	114.9
1039	T	23.8	Very low	27.9	Very low	144 Å²	144	142.8 Å²	142.8	88%	0.883	76%	0.761	S	S	*	*				175.6	158.2	123.7	27.3	0	0	0	0	115.3
1040	E	30.2	Very low	27.7	Very low	160 Å²	160	142.8 Å²	142.8	75%	0.748	76%	0.762	S	S	*	*			trans	-73.9	168.4	168.6	-119.2	-154.1	110.7	0	0	112.3
1041	P	35.4	Very low	27.5	Very low	106 Å²	106	143.9 Å²	143.9	69%	0.688	76%	0.764	S	S	*	*				-159.5	163.9	52.5	41.9	-18.8	0	0	0	121.9
1042	R	26.3	Very low	27.5	Very low	200 Å²	200	140.5 Å²	140.5	76%	0.755	76%	0.757	S	S	*	*			trans	55.8	129.8	139	-68.5	178.3	-174.3	-108.1	4.1	126.2
1043	H	24.9	Very low	27.3	Very low	162 Å²	162	143 Å²	143	75%	0.75	76%	0.761	S	S	*	*			trans	49	117.7	136.1	-64.8	-74.7	0	0	0	125.3
1044	A	24.6	Very low	27.4	Very low	92 Å²	92	142.6 Å²	142.6	76%	0.76	76%	0.763	S	S	*	*				36.3	164.4	114.7	0	0	0	0	0	123.1
1045	P	38	Very low	27.3	Very low	118 Å²	118	139 Å²	139	77%	0.766	76%	0.759	S	S	*	*			cis	-140.9	-177.4	8.3	45.6	-27.3	0	0	0	118
1046	M	22.9	Very low	27.5	Very low	148 Å²	148	137 Å²	137	73%	0.729	76%	0.757	S	S	*	*			trans	23	148.5	141.3	-69.4	-58.8	-79.4	0	0	122.4	E1048	M1046-E1048 HydrophobicContact CE-CG 3.86Å
1047	P	38.9	Very low	27.5	Very low	125 Å²	125	142.1 Å²	142.1	81%	0.812	76%	0.763	S	S	*	*				-153.2	-148.4	61.9	45.1	-22.3	0	0	0	117.9
1048	E	26	Very low	28.1	Very low	140 Å²	140	139.8 Å²	139.8	65%	0.654	76%	0.755	S	S	*	*			trans	-118.7	176.7	-153.8	-50.2	171.4	111.3	0	0	116.5	M1046	M1046-E1048 HydrophobicContact CE-CG 3.86Å
1049	F	24.1	Very low	28.1	Very low	159 Å²	159	139 Å²	139	70%	0.697	75%	0.754	S	S	*	*			trans	87	132.5	140.5	-90.8	-60.7	0	0	0	124.7
1050	N	22.5	Very low	28.6	Very low	138 Å²	138	138 Å²	138	74%	0.738	75%	0.747	S	S	*	*			trans	87.7	159.3	138.6	-80.3	-34.6	0	0	0	123.5
1051	T	23.6	Very low	28.8	Very low	125 Å²	125	135.7 Å²	135.7	77%	0.767	75%	0.749	S	S	*	*			trans	-97.4	166.2	-172.4	51.5	0	0	0	0	112.7
1052	V	24.3	Very low	28.8	Very low	120 Å²	120	136.6 Å²	136.6	73%	0.727	76%	0.758	S	S	*	*			trans	168.8	118.4	131.5	148.4	0	0	0	0	115.1
1053	I	25.4	Very low	29	Very low	146 Å²	146	131 Å²	131	75%	0.749	76%	0.755	S	S	*	*			trans	47.5	152.8	134.6	-34.4	169.4	0	0	0	122.9
1054	V	27.4	Very low	29.3	Very low	142 Å²	142	129.7 Å²	129.7	86%	0.861	76%	0.758	S	S	*	*			trans	84.2	138.2	163.4	-163	0	0	0	0	115.5
1055	G	28.5	Very low	29.6	Very low	59 Å²	59	134.1 Å²	134.1	61%	0.608	76%	0.763	S	S	*	*			cis	-179.2	132.9	-7.3	0	0	0	0	0	108.8
1056	E	30.4	Very low	29.7	Very low	177 Å²	177	133 Å²	133	83%	0.827	76%	0.758	S	S	*	*				74.8	110.4	93.7	-95.5	-178.7	179.3	0	0	116.7
1057	E	30.5	Very low	30.3	Very low	173 Å²	173	132.8 Å²	132.8	81%	0.808	76%	0.758	S	S	*	*			trans	60.9	160.8	150.4	-36.3	-166.7	166	0	0	118.7
1058	T	32.1	Very low	29.9	Very low	116 Å²	116	134.4 Å²	134.4	71%	0.712	76%	0.755	S	S	*	*			cis	-147.2	149.4	10.9	46.8	0	0	0	0	114.2
1059	E	29.7	Very low	30.2	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	76%	0.759	S	S	*	*			trans	10.6	124.9	135.7	-51.4	-164.2	136.4	0	0	125.1
1060	T	34.4	Very low	30.3	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	76%	0.764	S	S	*	*				71.7	139.9	126.6	66.7	0	0	0	0	126.7
1061	S	35.2	Very low	30.6	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	77%	0.766	S	S	*	*			trans	102	157	134.6	81.6	0	0	0	0	122.9
1062	S	34.7	Very low	30.7	Very low	124 Å²	124	133.2 Å²	133.2	87%	0.867	76%	0.764	S	S	*	*			trans	71	148.8	176.6	-95.4	0	0	0	0	118.9
1063	A	30.4	Very low	30.9	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	77%	0.766	S	S	*	*			cis	-154.1	144.3	-3.9	0	0	0	0	0	115.4
1064	V	32.9	Very low	30.9	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	77%	0.768	S	S	*	*			trans	14	133.1	137.6	-164.6	0	0	0	0	121.9
1065	Q	30.7	Very low	31	Very low	184 Å²	184	134.2 Å²	134.2	86%	0.86	77%	0.766	S	S	*	*				179.9	158.2	120.6	-98.4	-176.8	3.4	0	0	118.6
1066	S	38.6	Very low	31.6	Very low	96 Å²	96	136.7 Å²	136.7	67%	0.671	77%	0.771	S	S	*	*			trans	-17.2	145.3	169.4	-56.4	0	0	0	0	121.3
1067	I	36.6	Very low	31.3	Very low	143 Å²	143	135.8 Å²	135.8	73%	0.733	77%	0.772	S	S	*	*			cis	85.2	119.7	46.8	-63.8	163.4	0	0	0	115.2
1068	Q	30.7	Very low	31.4	Very low	158 Å²	158	131.1 Å²	131.1	74%	0.738	76%	0.763	S	S	*	*				-168.7	-171	125.1	-144.1	61.5	53.3	0	0	111.6
1069	Q	31.2	Very low	31.7	Very low	156 Å²	156	130.9 Å²	130.9	73%	0.729	76%	0.764	S	S	*	*			trans	-130.6	177.7	-158.5	-52.7	148.1	-80.5	0	0	113.3
1070	V	26.4	Very low	31.4	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	77%	0.765	S	S	*	*			trans	168.6	136.5	131.7	146.9	0	0	0	0	115.1
1071	V	28.2	Very low	31.2	Very low	131 Å²	131	126.9 Å²	126.9	79%	0.794	76%	0.764	S	S	*	*			trans	67.1	146.9	158.1	149.9	0	0	0	0	119.4
1072	V	27.2	Very low	31.2	Very low	117 Å²	117	127.5 Å²	127.5	71%	0.709	77%	0.766	S	S	*	*			cis	-151.6	-118.5	-22.5	66.4	0	0	0	0	113.5
1073	L	28.2	Very low	31.2	Very low	147 Å²	147	126.9 Å²	126.9	77%	0.77	76%	0.761	S	S	*	*			trans	-152.8	171.5	-163.1	-59.1	171.3	0	0	0	109
1074	T	25.8	Very low	31.8	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	76%	0.764	S	S	*	*			cis	-166.9	159.3	46.2	47.7	0	0	0	0	113.9
1075	D	29.5	Very low	31.5	Very low	152 Å²	152	127.3 Å²	127.3	81%	0.813	76%	0.763	S	S	*	*			trans	-81.7	176.6	158.8	-109.8	-48.7	0	0	0	111.3
1076	P	40.8	Very low	31.4	Very low	110 Å²	110	123.1 Å²	123.1	71%	0.714	75%	0.754	S	S	*	*			cis	-148.9	-166.7	26.5	40.3	-16.6	0	0	0	118.4
1077	N	24.3	Very low	31	Very low	158 Å²	158	123.8 Å²	123.8	85%	0.845	76%	0.758	S	S	*	*			trans	94.9	158.2	143.8	-150.2	21.2	0	0	0	120.5
1078	A	31.8	Very low	30.6	Very low	75 Å²	75	122.9 Å²	122.9	62%	0.62	76%	0.759	S	S	*	*			trans	-132.5	155.4	176.3	0	0	0	0	0	110.3
1079	P	38	Very low	30.5	Very low	112 Å²	112	118.7 Å²	118.7	73%	0.727	76%	0.758	S	S	*	*				-159.6	-169.7	85.8	41.9	-20.9	0	0	0	116.7
1080	S	24.4	Very low	30.4	Very low	116 Å²	116	118.5 Å²	118.5	81%	0.811	76%	0.761	S	S	*	*			trans	75.1	149.9	147.3	63.6	0	0	0	0	122.1
1081	A	30.2	Very low	30.7	Very low	90 Å²	90	117.2 Å²	117.2	74%	0.744	75%	0.754	S	S	*	*			trans	-108	171.5	166.8	0	0	0	0	0	109.9
1082	P	34.3	Very low	30.8	Very low	127 Å²	127	117.4 Å²	117.4	83%	0.825	75%	0.751	S	S	*	*				-149.4	175.4	100.3	39.7	-23.8	0	0	0	115.8
1083	S	34.6	Very low	30.8	Very low	110 Å²	110	118.1 Å²	118.1	77%	0.769	75%	0.749	S	S	*	*			trans	-94.1	172.9	162.9	-48.4	0	0	0	0	111
1084	P	43.8	Very low	30.6	Very low	115 Å²	115	117 Å²	117	75%	0.747	75%	0.748	S	S	*	*				-153	157.1	104.4	39.6	-22.8	0	0	0	117.5
1085	S	25.3	Very low	30.6	Very low	113 Å²	113	116.9 Å²	116.9	79%	0.79	75%	0.747	S	S	*	*			trans	50.2	150.7	130.9	-59.1	0	0	0	0	123.9
1086	S	28.8	Very low	30.7	Very low	95 Å²	95	115.5 Å²	115.5	66%	0.664	74%	0.744	S	S	*	*			cis	-178.8	151	-13.2	50.1	0	0	0	0	114
1087	S	32	Very low	30.4	Very low	110 Å²	110	115.4 Å²	115.4	77%	0.769	74%	0.744	S	S	*	*			trans	64.2	165.2	150	66.4	0	0	0	0	118.5
1088	V	28.1	Very low	30.3	Very low	125 Å²	125	114.8 Å²	114.8	76%	0.758	74%	0.739	S	S	*	*			cis	-139.8	137.2	19.6	172.5	0	0	0	0	109
1089	G	27.8	Very low	29.9	Very low	69 Å²	69	117.3 Å²	117.3	71%	0.711	75%	0.747	S	S	*	*				82.6	155.7	97.5	0	0	0	0	0	114.4
1090	L	29.8	Very low	29.2	Very low	152 Å²	152	116 Å²	116	80%	0.796	74%	0.741	S	S	*	*			cis	-155.6	163.1	-1	-84.6	170.8	0	0	0	110.9
1091	T	31.9	Very low	29.3	Very low	106 Å²	106	118.6 Å²	118.6	65%	0.65	74%	0.739	S	S	*	*			trans	15.1	135.3	151.1	62.6	0	0	0	0	121.5
1092	N	30.9	Very low	29	Very low	136 Å²	136	119.6 Å²	119.6	73%	0.727	74%	0.741	S	S	*	*				173.3	-173.2	83.3	-89.6	-52.3	0	0	0	112.3
1093	I	26.8	Very low	28.6	Very low	132 Å²	132	121.8 Å²	121.8	68%	0.677	74%	0.74	S	S	*	*				-162.3	136.4	-74.4	-140.6	174.5	0	0	0	112.6
1094	T	24.2	Very low	28	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	74%	0.742	S	S	*	*			trans	57.7	175	166.7	61.8	0	0	0	0	119.1
1095	V	24.6	Very low	27.4	Very low	130 Å²	130	126 Å²	126	79%	0.788	75%	0.747	S	S	*	*			cis	-141.1	160.2	0.2	-143.6	0	0	0	0	111.2
1096	T	32.2	Very low	27.3	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	75%	0.753	S	S	*	*			trans	-99.7	158.6	160.4	57.2	0	0	0	0	109.8
1097	P	35.4	Very low	27.3	Very low	109 Å²	109	131.8 Å²	131.8	71%	0.708	76%	0.757	S	S	*	*				-165.4	154.2	90.4	44.8	-23.2	0	0	0	120.5
1098	I	22.5	Very low	26.9	Very low	145 Å²	145	131.8 Å²	131.8	74%	0.744	76%	0.757	S	S	*	*				63.8	120.4	124.6	-60.6	176.2	0	0	0	123.8
1099	T	22.2	Very low	26.8	Very low	127 Å²	127	133.6 Å²	133.6	78%	0.779	76%	0.761	S	S	*	*			trans	67.9	172.4	149.1	61.6	0	0	0	0	122.9
1100	S	24.5	Very low	26.9	Very low	86 Å²	86	138.8 Å²	138.8	60%	0.601	77%	0.767	S	S	*	*				-174.7	152.1	-51.5	69.7	0	0	0	0	113.5
1101	H	25.8	Very low	27.4	Very low	169 Å²	169	136.7 Å²	136.7	78%	0.782	76%	0.763	S	S	*	*			trans	59.3	110	153.5	-65.8	-63.1	0	0	0	122.6
1102	S	24.1	Very low	27	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	77%	0.772	S	S	*	*			trans	69.7	162.2	135.9	77.8	0	0	0	0	118.2
1103	Q	24.5	Very low	26.8	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	77%	0.771	S	S	*	*			cis	-153.1	-158.4	1.6	-146	-177.6	21.5	0	0	110.3
1104	T	23.3	Very low	26.7	Very low	132 Å²	132	136 Å²	136	81%	0.81	78%	0.777	S	S	*	*			trans	87.3	160.3	167.2	74.9	0	0	0	0	118.5
1105	Q	31.8	Very low	26.9	Very low	181 Å²	181	133.3 Å²	133.3	85%	0.846	77%	0.774	S	S	*	*			trans	-125.4	161.7	-171.4	-56.5	164.3	-28.3	0	0	107.6
1106	F	21.5	Very low	27	Very low	208 Å²	208	134.9 Å²	134.9	91%	0.912	77%	0.772	S	S	*	*			trans	-164.6	169.6	133.5	-121.3	-83	0	0	0	112.5
1107	T	30.2	Very low	26.6	Very low	122 Å²	122	136.7 Å²	136.7	75%	0.748	78%	0.776	S	S	*	*			trans	-109.8	140.4	-171.1	52.3	0	0	0	0	113.5
1108	S	23.8	Very low	26.3	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	78%	0.78	S	S	*	*			trans	175.4	151.5	163.9	178.7	0	0	0	0	109.7
1109	L	24.3	Very low	26.7	Very low	163 Å²	163	134.6 Å²	134.6	85%	0.853	78%	0.777	S	S	*	*			cis	-160.2	169.6	-25.1	-102.7	174.6	0	0	0	108.2
1110	Q	30.5	Very low	27.1	Very low	177 Å²	177	134.7 Å²	134.7	83%	0.827	78%	0.778	S	S	*	*			trans	-92.1	161.3	161.6	-117.3	-178.9	-5.5	0	0	109.5
1111	P	40.3	Very low	27.2	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	79%	0.786	S	S	*	*				-160.8	-178.7	68.5	44	-21.9	0	0	0	118.6
1112	V	23.9	Very low	27.5	Very low	140 Å²	140	138 Å²	138	85%	0.848	78%	0.781	S	S	*	*			trans	42	147.4	136.1	172.5	0	0	0	0	120.8
1113	A	26.5	Very low	28.6	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	78%	0.78	S	S	*	*			cis	-138.4	165.7	16.3	0	0	0	0	0	110.4
1114	V	25.5	Very low	28.9	Very low	135 Å²	135	135.3 Å²	135.3	82%	0.818	77%	0.769	S	S	*	*			cis	104.5	109.4	22	175.6	0	0	0	0	115.5
1115	G	27.3	Very low	29.4	Very low	65 Å²	65	134.5 Å²	134.5	67%	0.67	76%	0.764	S	S	*	*			trans	118.5	163.2	158.3	0	0	0	0	0	118
1116	H	26.8	Very low	29.6	Very low	163 Å²	163	131.8 Å²	131.8	76%	0.755	76%	0.755	S	S	*	*			cis	-170.2	112.8	-26.8	-117.3	-65.6	0	0	0	113.5
1117	L	25.2	Very low	29.9	Very low	160 Å²	160	127.4 Å²	127.4	84%	0.838	74%	0.741	S	S	*	*			trans	63.9	160.2	160.8	-54.3	170.3	0	0	0	117.5
1118	T	27.2	Very low	30.1	Very low	127 Å²	127	128.2 Å²	128.2	78%	0.779	74%	0.741	S	S	*	*			cis	-119.1	153.6	12.8	49.9	0	0	0	0	112.1
1119	A	31.7	Very low	30.7	Very low	83 Å²	83	127.8 Å²	127.8	69%	0.686	74%	0.737	S	S	*	*				70.6	138.2	58.9	0	0	0	0	0	113.9
1120	T	30.1	Very low	31.1	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	73%	0.73	S	S	*	*			cis	-129.1	-165.8	5.8	55.3	0	0	0	0	110.3
1121	D	26.9	Very low	31	Very low	144 Å²	144	124.8 Å²	124.8	77%	0.77	73%	0.726	S	S	*	*			cis	-148.8	-129.3	1.1	-156.8	-101	0	0	0	113.5
1122	R	31.7	Very low	30.3	Very low	182 Å²	182	125.7 Å²	125.7	69%	0.687	73%	0.729	S	S	*	*			trans	-152.6	-177.6	-166	-114.3	176.8	179.6	169.7	-1.7	112.1
1123	P	47.6	Very low	30.3	Very low	117 Å²	117	123.9 Å²	123.9	76%	0.76	72%	0.718	S	S	*	*			cis	-85.8	-177.3	14.2	-8.3	29.2	0	0	0	114.6
1124	L	31.9	Very low	30.3	Very low	110 Å²	110	125.9 Å²	125.9	58%	0.576	72%	0.722	S	S	*	*			cis	-163.8	-161.3	-31.5	-106.9	176.2	0	0	0	105.8	L1126	L1124-L1126 HydrophobicContact CD2-CD1 4.16Å
1125	T	32.1	Very low	30.3	Very low	114 Å²	114	127.6 Å²	127.6	70%	0.699	72%	0.719	S	S	*	*			cis	-144.4	-142.2	10.4	-32.5	0	0	0	0	111.1
1126	L	37	Very low	30.2	Very low	124 Å²	124	131 Å²	131	65%	0.649	72%	0.722	S	S	*	*			trans	-148.8	156.9	-164.2	-69.5	101.2	0	0	0	109.5	L1124	L1124-L1126 HydrophobicContact CD2-CD1 4.16Å
1127	D	27.6	Very low	30.3	Very low	116 Å²	116	128.5 Å²	128.5	62%	0.62	72%	0.718	S	S	*	*			cis	-152	154.8	-2	-100.8	-22.3	0	0	0	108.8
1128	N	33.3	Very low	30.4	Very low	140 Å²	140	126.8 Å²	126.8	75%	0.749	71%	0.714	S	S	*	*				74.4	148	51.4	-63.5	-45	0	0	0	114.7
1129	S	36.9	Very low	30.4	Very low	101 Å²	101	125.5 Å²	125.5	71%	0.706	71%	0.711	S	S	*	*			cis	-173.4	-173.3	-18.9	63.6	0	0	0	0	108.2
1130	I	32.6	Very low	30.2	Very low	138 Å²	138	123.2 Å²	123.2	71%	0.708	70%	0.695	S	S	*	*			cis	-167.3	165.8	2.1	-149.3	-178.7	0	0	0	112
1131	L	29.2	Very low	30.1	Very low	139 Å²	139	122.1 Å²	122.1	73%	0.728	69%	0.693	S	S	*	*			trans	64.1	168.2	159.3	-59.8	176.9	0	0	0	120.1
1132	T	25.8	Very low	30.2	Very low	128 Å²	128	118 Å²	118	79%	0.785	68%	0.679	S	S	*	*			cis	-148.3	-174.1	4.9	-18.4	0	0	0	0	114.2
1133	V	24.2	Very low	30.1	Very low	102 Å²	102	115.7 Å²	115.7	62%	0.618	68%	0.677	S	S	*	*			trans	-108.4	154.7	-160.7	-176	0	0	0	0	114.9	F1135	V1133-F1135 HydrophobicContact CG1-CE1 4.12Å; V1133-F1135 HydrophobicContact CG1-CE2 4.39Å; V1133-F1135 HydrophobicContact CG1-CZ 3.69Å
1134	T	25	Very low	28.9	Very low	126 Å²	126	116.2 Å²	116.2	77%	0.773	67%	0.673	S	S	*	*			trans	161.6	-165.7	135.9	44.7	0	0	0	0	114.2
1135	F	26.2	Very low	28.7	Very low	171 Å²	171	118.9 Å²	118.9	75%	0.75	68%	0.682	S	S	*	*			trans	-133.9	-169.3	-143.4	-45.9	-61	0	0	0	114	V1133	V1133-F1135 HydrophobicContact CG1-CE1 4.12Å; V1133-F1135 HydrophobicContact CG1-CE2 4.39Å; V1133-F1135 HydrophobicContact CG1-CZ 3.69Å
1136	D	24.6	Very low	28.4	Very low	137 Å²	137	119.5 Å²	119.5	73%	0.733	68%	0.681	S	S	*	*			cis	-153.9	-97.2	15.8	-164.2	45.9	0	0	0	118.2
1137	T	28.7	Very low	28.1	Very low	110 Å²	110	124.7 Å²	124.7	68%	0.675	69%	0.692	S	S	*	*			trans	-132	172.4	-149.8	43.6	0	0	0	0	120.1
1138	V	27.2	Very low	28.8	Very low	124 Å²	124	124.6 Å²	124.6	75%	0.752	70%	0.698	S	S	*	*			trans	100.3	127.6	152.1	-164.4	0	0	0	0	122
1139	S	29	Very low	28.6	Very low	101 Å²	101	123.4 Å²	123.4	71%	0.706	70%	0.701	S	S	*	*			trans	32.7	145	153.8	-59.6	0	0	0	0	127.6
1140	G	27.2	Very low	28	Very low	35 Å²	35	127.8 Å²	127.8	36%	0.361	71%	0.71	S	S	.	*				139.4	109.1	125.3	0	0	0	0	0	120.2	S1166	G1140-S1166 PolarHBondContact O-OG 3.21Å
1141	S	28	Very low	27.8	Very low	106 Å²	106	129 Å²	129	74%	0.741	72%	0.717	S	S	*	*			trans	-79.2	153	178.3	-48.2	0	0	0	0	116.2
1142	A	29.5	Very low	27.9	Very low	58 Å²	58	129.1 Å²	129.1	48%	0.479	72%	0.723	S	S	.	*				156.8	139.9	112.3	0	0	0	0	0	117.4	A1168	A1142-A1168 HydrophobicContact CB-CB 4.09Å
1143	M	27.8	Very low	28.6	Very low	132 Å²	132	128.1 Å²	128.1	65%	0.65	72%	0.719	S	S	*	*			trans	62	166.2	150.3	-62.4	169.5	72.3	0	0	120	H1169	M1143-H1169 PolarHBondContact SD-CE1 2.97Å
1144	L	23.6	Very low	28.7	Very low	128 Å²	128	131.6 Å²	131.6	67%	0.67	73%	0.728	S	S	*	*			cis	-160	145	-39.3	-102.5	-174.4	0	0	0	110.3
1145	H	26.4	Very low	28.8	Very low	166 Å²	166	130.8 Å²	130.8	77%	0.769	72%	0.723	S	S	*	*			trans	60.9	167.1	163.4	-73.1	79.9	0	0	0	119.2
1146	N	27	Very low	28.8	Very low	127 Å²	127	129.7 Å²	129.7	68%	0.679	73%	0.73	S	S	*	*			cis	-167.2	105.2	-47.2	-173.2	22.6	0	0	0	112.4
1147	R	29.8	Very low	28.9	Very low	233 Å²	233	126.8 Å²	126.8	88%	0.879	73%	0.733	S	S	*	*			trans	67.5	169.2	165.2	-107.6	-174.7	156.7	159.9	-5.4	117.7
1148	P	42.1	Very low	28.7	Very low	114 Å²	114	127 Å²	127	74%	0.74	74%	0.739	S	S	*	*			cis	-127.6	-165.8	-13.2	41	-23.2	0	0	0	114.9
1149	S	29.4	Very low	28.7	Very low	116 Å²	116	126.9 Å²	126.9	81%	0.811	74%	0.739	S	S	*	*			trans	-71.4	155.5	-176.6	-51.3	0	0	0	0	116.9
1150	E	25.6	Very low	28.6	Very low	193 Å²	193	129.7 Å²	129.7	90%	0.902	75%	0.746	S	S	*	*			trans	-151.6	177.7	140.8	-156.8	130.5	-123.5	0	0	110.5
1151	L	28.3	Very low	28.6	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	77%	0.768	S	S	*	*			trans	-131.2	146.6	-176.7	-73.4	166.7	0	0	0	110.8
1152	V	30.1	Very low	28.6	Very low	140 Å²	140	132 Å²	132	85%	0.848	78%	0.776	S	S	*	*			trans	-174.6	147.9	145.3	134.2	0	0	0	0	108.9
1153	P	40.6	Very low	28.3	Very low	108 Å²	108	133.6 Å²	133.6	70%	0.701	79%	0.789	S	S	*	*			trans	-102.1	154.7	-176.9	38.1	-33.3	0	0	0	113.9
1154	E	25.9	Very low	29.4	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.813	79%	0.791	S	S	*	*				-172.4	162.5	128.8	-109.3	-167.8	130.5	0	0	114.7
1155	T	27.1	Very low	29.8	Very low	109 Å²	109	133.1 Å²	133.1	67%	0.669	79%	0.791	S	S	*	*			trans	33.6	126.8	155.4	57.4	0	0	0	0	124.1
1156	V	27.1	Very low	30.2	Very low	148 Å²	148	128.3 Å²	128.3	90%	0.897	78%	0.776	S	S	*	*				37.8	114.9	128.6	-169.2	0	0	0	0	119.5
1157	G	26.3	Very low	30.2	Very low	76 Å²	76	128.1 Å²	128.1	78%	0.784	78%	0.779	S	S	*	*			trans	170.9	140.7	160.5	0	0	0	0	0	114
1158	S	24.8	Very low	30.2	Very low	115 Å²	115	119.9 Å²	119.9	80%	0.804	76%	0.761	S	S	*	*			trans	-107.6	165.6	178.8	-71.8	0	0	0	0	112.5
1159	T	26.7	Very low	29.7	Very low	122 Å²	122	119.7 Å²	119.7	75%	0.748	75%	0.75	S	S	*	*			trans	91.7	123.7	159.8	74.2	0	0	0	0	120
1160	N	27.5	Very low	29.6	Very low	160 Å²	160	122.2 Å²	122.2	86%	0.856	75%	0.746	S	S	*	*			trans	52.4	119	132.7	-55.4	-6	0	0	0	121.3
1161	G	27.1	Very low	29.9	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	74%	0.739	S	S	*	*			trans	-173.4	128.2	159.7	0	0	0	0	0	111.4
1162	A	27.6	Very low	29.8	Very low	109 Å²	109	118.4 Å²	118.4	90%	0.901	73%	0.732	S	S	*	*			trans	-94.2	178	-179.8	0	0	0	0	0	112.7
1163	A	23.3	Very low	29.7	Very low	90 Å²	90	118.4 Å²	118.4	74%	0.744	73%	0.726	S	S	*	*			trans	-139.4	-169.7	179.9	0	0	0	0	0	108.6
1164	P	51.8	Low	29.1	Very low	107 Å²	107	118.3 Å²	118.3	70%	0.695	72%	0.724	S	S	*	*			cis	-131.9	-157.3	-35.6	21.1	4.6	0	0	0	111.6
1165	Q	31.8	Very low	29.4	Very low	143 Å²	143	115.8 Å²	115.8	67%	0.668	72%	0.72	S	S	*	*			trans	88.2	151.1	153.1	-59.3	-157.1	21.2	0	0	119
1166	S	34.2	Very low	29.5	Very low	66 Å²	66	118.7 Å²	118.7	46%	0.462	73%	0.731	S	S	.	*			cis	-172.1	-168.2	-18.6	-175.1	0	0	0	0	110.6	G1140	G1140-S1166 PolarHBondContact O-OG 3.21Å
1167	V	27.7	Very low	29.4	Very low	123 Å²	123	118.2 Å²	118.2	75%	0.745	73%	0.728	S	S	*	*			trans	121.7	144.3	154.1	-179	0	0	0	0	117.6
1168	A	29.5	Very low	29.5	Very low	60 Å²	60	121.7 Å²	121.7	50%	0.496	73%	0.728	S	S	.	*			trans	-150.7	-167.1	-178.2	0	0	0	0	0	109.4	A1142	A1142-A1168 HydrophobicContact CB-CB 4.09Å
1169	H	31.2	Very low	30.8	Very low	110 Å²	110	121.8 Å²	121.8	51%	0.509	73%	0.727	S	S	.	*			cis	-173.5	177.1	24.6	-164.3	25.4	0	0	0	111.8	M1143	M1143-H1169 PolarHBondContact SD-CE1 2.97Å
1170	F	28.4	Very low	31.1	Very low	168 Å²	168	123.4 Å²	123.4	74%	0.737	73%	0.729	S	S	*	*			trans	72.3	156.2	170.8	-63.1	-68.9	0	0	0	117.5
1171	I	30.9	Very low	30.8	Very low	145 Å²	145	121.2 Å²	121.2	74%	0.744	73%	0.726	S	S	*	*				-157.8	139.9	52.3	-86.5	-178.4	0	0	0	115.1
1172	N	26.8	Very low	31.2	Very low	133 Å²	133	124.4 Å²	124.4	71%	0.711	72%	0.719	S	S	*	*			trans	54.6	132.9	146.8	-68	-9.8	0	0	0	129.4
1173	L	27	Very low	31.3	Very low	139 Å²	139	126.9 Å²	126.9	73%	0.728	71%	0.712	S	S	*	*				94.4	124.9	126.1	-102.4	72.7	0	0	0	127.3
1174	T	28.1	Very low	31.4	Very low	107 Å²	107	129.4 Å²	129.4	66%	0.656	71%	0.712	S	S	*	*			trans	58.8	105.6	137.6	44.6	0	0	0	0	126.4
1175	T	32.8	Very low	30.1	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	72%	0.718	S	S	*	*				51	155.5	118.2	48.3	0	0	0	0	125.5
1176	L	28.8	Very low	30	Very low	170 Å²	170	129.7 Å²	129.7	89%	0.89	72%	0.718	S	S	*	*			trans	88.4	154.2	175.3	-51.2	176.9	0	0	0	114.5
1177	V	24.7	Very low	30.5	Very low	137 Å²	137	131.7 Å²	131.7	83%	0.83	73%	0.729	S	S	*	*			cis	-147.3	168.3	-4.8	82.4	0	0	0	0	110.3
1178	N	29.7	Very low	30.5	Very low	149 Å²	149	131.6 Å²	131.6	80%	0.797	73%	0.729	S	S	*	*			trans	-161.1	121.6	179.2	178.9	107.1	0	0	0	114.7
1179	P	51.9	Low	30.6	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	74%	0.742	S	S	*	*			trans	-123.6	-178.2	176.2	36.7	-21.9	0	0	0	118.7
1180	I	31.2	Very low	30.4	Very low	156 Å²	156	135 Å²	135	80%	0.8	75%	0.749	S	S	*	*			trans	-68.6	148.9	-175.6	-73.6	154.3	0	0	0	117.4
1181	S	22.9	Very low	30.2	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	75%	0.75	S	S	*	*			trans	-167.8	170.9	135.4	-158.7	0	0	0	0	112.8
1182	H	34.6	Very low	29.9	Very low	149 Å²	149	139.6 Å²	139.6	69%	0.69	75%	0.753	S	S	*	*			trans	-126.5	-161.3	-176.9	-55.8	163.1	0	0	0	111.5
1183	Q	29	Very low	31.1	Very low	160 Å²	160	138.2 Å²	138.2	75%	0.748	75%	0.751	S	S	*	*			cis	-163.5	-166.1	7.8	-146.5	152	-91.9	0	0	111.5
1184	L	26.6	Very low	31.2	Very low	144 Å²	144	138.4 Å²	138.4	75%	0.754	76%	0.757	S	S	*	*			trans	76.8	146.6	169	-54.8	172.7	0	0	0	118.1
1185	E	25.1	Very low	31.9	Very low	176 Å²	176	139.1 Å²	139.1	82%	0.822	76%	0.764	S	S	*	*			cis	-154.9	-169.7	-36.5	-140.7	175.8	176.6	0	0	112
1186	A	27.8	Very low	31.5	Very low	80 Å²	80	137.6 Å²	137.6	66%	0.661	76%	0.764	S	S	*	*			trans	-67.2	177.1	-167.2	0	0	0	0	0	115.9
1187	P	44.8	Very low	31.3	Very low	108 Å²	108	133.7 Å²	133.7	70%	0.701	76%	0.756	S	S	*	*			cis	-142.9	140.7	17.2	42.2	-21.4	0	0	0	120.7
1188	T	28.7	Very low	31.4	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	76%	0.761	S	S	*	*				43.8	153.3	125.6	70.9	0	0	0	0	123.5
1189	L	32.4	Very low	31.2	Very low	147 Å²	147	132.8 Å²	132.8	77%	0.77	76%	0.755	S	S	*	*			cis	-175	-177.2	-9.1	-102.4	176.4	0	0	0	107.5
1190	S	25.6	Very low	29.9	Very low	93 Å²	93	132.2 Å²	132.2	65%	0.65	75%	0.754	S	S	*	*			cis	-161.1	128	-9.5	42.9	0	0	0	0	113.6
1191	W	25.6	Very low	29.7	Very low	199 Å²	199	132.8 Å²	132.8	75%	0.754	75%	0.753	S	S	*	*			trans	30.8	126.6	135.5	-59.1	98.5	0	0	0	126.3
1192	R	23.5	Very low	29.8	Very low	212 Å²	212	134.1 Å²	134.1	80%	0.8	75%	0.747	S	S	*	*			trans	68.6	178.9	138.6	-72.5	174.4	-176.7	-114.4	7.6	118.3
1193	P	51.6	Low	29.3	Very low	104 Å²	104	132.5 Å²	132.5	68%	0.675	75%	0.748	S	S	*	*				-137.7	151.3	-71.3	41.1	-24	0	0	0	117
1194	V	29.2	Very low	29.3	Very low	142 Å²	142	133.2 Å²	133.2	86%	0.861	75%	0.751	S	S	*	*			trans	69.4	171.5	166.9	100.2	0	0	0	0	113.9
1195	P	42.8	Very low	29.5	Very low	122 Å²	122	131 Å²	131	79%	0.792	75%	0.748	S	S	*	*			cis	-123.7	-119.5	39.8	40.4	-21.3	0	0	0	116.1
1196	A	23.8	Very low	29.5	Very low	90 Å²	90	134 Å²	134	74%	0.744	75%	0.752	S	S	*	*			trans	-151.4	168.6	-158.6	0	0	0	0	0	115.4
1197	A	26.5	Very low	29.5	Very low	88 Å²	88	133.3 Å²	133.3	73%	0.727	75%	0.752	S	S	*	*			trans	72.5	145.4	155.8	0	0	0	0	0	120.8
1198	E	25	Very low	29.6	Very low	201 Å²	201	134.2 Å²	134.2	94%	0.939	76%	0.758	S	S	*	*			trans	58.8	141.5	163.2	-66.2	169.3	-168.7	0	0	118.5
1199	G	25.4	Very low	29.9	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	76%	0.761	S	S	*	*			cis	179.9	171	-6.7	0	0	0	0	0	112.7
1200	S	26.1	Very low	30.8	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	76%	0.763	S	S	*	*			trans	59.9	119.2	156.4	-57.5	0	0	0	0	121.9
1201	Q	26.1	Very low	31.1	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	77%	0.768	S	S	*	*			trans	70.1	160.3	133.3	-66	-172.1	-78.7	0	0	120.8
1202	E	25.3	Very low	31.4	Very low	142 Å²	142	133.7 Å²	133.7	66%	0.664	77%	0.773	S	S	*	*			cis	-171.7	170.2	-34.4	-160.6	165.8	176.8	0	0	108.6
1203	T	25.1	Very low	31.6	Very low	115 Å²	115	129.2 Å²	129.2	71%	0.706	77%	0.774	S	S	*	*			trans	70.5	156.4	165.2	74.6	0	0	0	0	118.2
1204	Q	28	Very low	30.4	Very low	174 Å²	174	131.4 Å²	131.4	81%	0.813	78%	0.78	S	S	*	*			cis	-155.2	-175.4	-32.4	-112.6	175.1	28.8	0	0	109.7
1205	S	30.1	Very low	31.5	Very low	97 Å²	97	129.3 Å²	129.3	68%	0.678	77%	0.769	S	S	*	*			trans	-54.9	164.7	172.1	54.6	0	0	0	0	113.9
1206	R	26	Very low	30.7	Very low	240 Å²	240	129.5 Å²	129.5	91%	0.906	77%	0.768	S	S	*	*			cis	-170.6	169.5	48.5	-146	169.7	-173.9	-179.5	0.5	111.6
1207	G	27.6	Very low	31.1	Very low	66 Å²	66	129.1 Å²	129.1	68%	0.68	77%	0.765	S	S	*	*			trans	-79.8	-164.8	168.9	0	0	0	0	0	113.7
1208	P	47.3	Very low	31.4	Very low	127 Å²	127	131.4 Å²	131.4	83%	0.825	77%	0.771	S	S	*	*			cis	-141.6	-164.3	31.9	43	-22.6	0	0	0	116.7
1209	D	35.8	Very low	31.9	Very low	151 Å²	151	128.2 Å²	128.2	81%	0.807	76%	0.755	S	S	*	*			trans	-73.4	172.8	-178.4	-41.9	-91.8	0	0	0	115.7
1210	P	50.8	Low	32.1	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	76%	0.758	S	S	*	*				-157	162.6	94	41.3	-22.7	0	0	0	119.6
1211	A	31.7	Very low	32.5	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	76%	0.755	S	S	*	*			trans	69.3	159.9	148.9	0	0	0	0	0	119.6
1212	Q	31.7	Very low	32.9	Very low	182 Å²	182	133.1 Å²	133.1	85%	0.85	75%	0.749	S	S	*	*			cis	-162.8	179.3	-7	-132.9	179.3	10.9	0	0	113.1
1213	S	27.9	Very low	33.2	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	75%	0.754	S	S	*	*			trans	89.5	148.9	158.7	81	0	0	0	0	120.3
1214	N	27.2	Very low	33.5	Very low	150 Å²	150	133.6 Å²	133.6	80%	0.802	76%	0.755	S	S	*	*			trans	-166.3	147.1	-169.7	-174.1	60.3	0	0	0	114.7
1215	P	50.9	Low	33.7	Very low	98 Å²	98	132.9 Å²	132.9	64%	0.636	76%	0.757	S	S	*	*			trans	-124.1	167.3	154.9	39.1	-27.4	0	0	0	112
1216	T	26.2	Very low	33.7	Very low	126 Å²	126	134 Å²	134	77%	0.773	77%	0.765	S	S	*	*			cis	-159.6	131	-19	22	0	0	0	0	105.4
1217	A	33.3	Very low	33.9	Very low	82 Å²	82	126.7 Å²	126.7	68%	0.678	76%	0.756	S	S	*	*				56.3	122.4	91.8	0	0	0	0	0	115
1218	T	32.3	Very low	34.4	Very low	137 Å²	137	132.2 Å²	132.2	84%	0.84	76%	0.764	S	S	*	*			cis	-162.7	175	2.8	7	0	0	0	0	108.7
1219	Q	34.6	Very low	33.8	Very low	133 Å²	133	134.3 Å²	134.3	62%	0.621	76%	0.762	S	S	*	*			cis	-128.4	-111.8	9.7	-159.7	-168.8	82.6	0	0	112.7
1220	Q	30.5	Very low	33.8	Very low	154 Å²	154	134.3 Å²	134.3	72%	0.72	76%	0.759	S	S	*	*			cis	-148.8	-134.2	-0.7	-158.9	99.4	69	0	0	112
1221	Q	33.9	Very low	33.1	Very low	146 Å²	146	136.4 Å²	136.4	68%	0.682	76%	0.756	S	S	*	*			trans	-153.6	154.3	-156.3	-91	-179.9	-15.1	0	0	111.9
1222	Q	34.8	Very low	33.4	Very low	142 Å²	142	135 Å²	135	66%	0.664	75%	0.75	S	S	*	*			cis	-167.8	169.8	-9.7	-139.4	-178.6	19.9	0	0	111.8
1223	Q	32.4	Very low	33.7	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.762	76%	0.764	S	S	*	*			trans	68.9	153.5	158.3	-63.9	172.2	38.7	0	0	118.9
1224	S	30.7	Very low	34	Very low	105 Å²	105	141.2 Å²	141.2	73%	0.734	76%	0.761	S	S	*	*			cis	-166.8	155.3	-21.5	53.5	0	0	0	0	114
1225	N	32	Very low	34.3	Very low	159 Å²	159	140.7 Å²	140.7	85%	0.85	76%	0.759	S	S	*	*			trans	-22.3	148.2	174.6	-57.1	-20	0	0	0	123.6
1226	S	29.8	Very low	33.4	Very low	121 Å²	121	143.1 Å²	143.1	85%	0.846	77%	0.766	S	S	*	*				-178.5	147.6	119.1	47.7	0	0	0	0	116.2
1227	A	31.6	Very low	33.8	Very low	86 Å²	86	144.1 Å²	144.1	71%	0.711	77%	0.765	S	S	*	*			trans	30.9	124.3	159	0	0	0	0	0	122.2
1228	Q	37.1	Very low	33.9	Very low	182 Å²	182	148 Å²	148	85%	0.85	77%	0.771	S	S	*	*				65.9	137.5	72.9	-68.2	-178.2	-21	0	0	114.6
1229	Q	34	Very low	34	Very low	170 Å²	170	148.7 Å²	148.7	79%	0.794	77%	0.766	S	S	*	*			cis	-137.2	155.1	18.2	-58.8	171.1	-15.1	0	0	109.3
1230	M	36	Very low	33.9	Very low	151 Å²	151	149.9 Å²	149.9	74%	0.744	78%	0.776	S	S	*	*			cis	65.3	127.9	47.1	-57.2	-100.4	-74.2	0	0	113.1
1231	F	37.3	Very low	34.2	Very low	168 Å²	168	149.5 Å²	149.5	74%	0.737	78%	0.781	S	S	*	*			cis	-144.5	168.6	-3.3	-122.3	-57.5	0	0	0	108.1
1232	G	37.2	Very low	34.2	Very low	62 Å²	62	149.8 Å²	149.8	64%	0.639	79%	0.789	S	S	*	*				80.7	126.5	76.4	0	0	0	0	0	111.9
1233	Y	37.8	Very low	34.2	Very low	289 Å²	289	150.5 Å²	150.5	100%	1.133	80%	0.8	S	S	*	*			cis	-145.9	0	13	-122.7	-85.9	0	0	0	111.8

Retrieved 1,233 of 1,233 residues in 1583.5 ms (Link to these results)

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