A0A087YDZ2_POEFO Loading...

SLIT and NTRK-like family, member 6

AlphaFold DB , UniProt , Accession A0A087YDZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 854 aa.

						>A0A087YDZ2_POEFO|A0A087YDZ2
MRRLATFKNGTSMLTFGLPSSFSPLRFYSISRSKMQPWIIFIGLFLSAAHSQDIYPSKALSSISESCESLCSCEAKDGVLHLNCEQRNISKISQIQIPSGVSFHLNLYKNDLVELRVEEMEGLRGALSLHIGGNSIQELEPGVFNTLGSLKKLHINSNFLVTLKEDTFQGLINLEFLQADTNFIRIIEPGAFNKLIRLKVLILNDNSIEFLPSNIFRFVPLTHLDLRGNKLQTLPYVGFLEHIGRIMELLLEDNDWICDCDVLHLKTWMENMRAQSVISDVVCSSPQHLKGTILAKVKRDVLCPFHKDLPLEGPPSMDMVVTPSSKVTQIPKQTPSHVPDSPCMEHCSCHNHPEAGLLMHCQDRGIQKVSDIGILQESPTKLVMTGNMIQKLFKYDFVTYDRLELLNLANNRIDYIDNETFLSLSSLKKLHLNGNRIEKLFSTMFVGLHNLESLYLEYNLIKEIAPGTFNPLPKLKLLSLNNNQLSSLPAQIFRNVPLVKLNLRKNLLMHLPVSNVLDQLNVLEQIYLEDNPWDCSCDLLSLKQWVEKLKRDTVVGSVLCETPKKVKQTELRSLRHEMLCPGLETSTVTQGPPANKSLMDSLTDNIPLSVLILSFLIFVLMIIFCSAGLVVFVVHRRRRRAKKKAAEEPARENTSTTSPIHLHYSMYGQKTTHHTVTQRTGPGSLYEDRSHSPIVQICRNPTYCSQHKGHDSDLDYSLDDPKHHVCRSIMEKENTSPLTGNPKFRAIAEERPGDFVTLGTPSSLYRNILEREKELQQQLGITEYFRKNLPQLQPAMDMQVPGHPEELKLMETIMYTRPRKVMLEQTKNEYFELKANLHTEPDYLEVLEHQTAFN
					

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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	35.5	Very low	29	Very low	224 Å²	224	161.5 Å²	161.5	100%	1.103	84%	0.839	S	S	*	*				0	145.4	0	-67.6	-168.2	-164.8	0	0	107.7
2	R	31.2	Very low	28.7	Very low	209 Å²	209	157.5 Å²	157.5	79%	0.789	84%	0.835	S	S	*	*			cis	-145.6	140.9	-13	-100.1	166.4	-176.7	177.5	0.7	104.5
3	R	26	Very low	28.3	Very low	222 Å²	222	157.2 Å²	157.2	84%	0.838	83%	0.829	S	S	*	*				41.9	132.8	91.6	-72	-171.6	172.4	-160.1	1.2	113.3
4	L	32.5	Very low	28.2	Very low	142 Å²	142	155.8 Å²	155.8	74%	0.743	82%	0.821	S	S	*	*			cis	-166.2	150.6	0.6	-124	164.7	0	0	0	108
5	A	25.9	Very low	28	Very low	96 Å²	96	152.1 Å²	152.1	79%	0.793	81%	0.807	S	S	*	*			trans	-146.8	126	166.6	0	0	0	0	0	111.1
6	T	33.5	Very low	27.8	Very low	126 Å²	126	155.3 Å²	155.3	77%	0.773	81%	0.813	S	S	*	*			trans	-97	153.4	168.4	45.8	0	0	0	0	109.4
7	F	25.7	Very low	27.6	Very low	213 Å²	213	150.6 Å²	150.6	93%	0.934	81%	0.811	S	S	*	*			trans	-143	155.3	161.4	-117.6	-83.7	0	0	0	112
8	K	28.2	Very low	27.7	Very low	172 Å²	172	151.8 Å²	151.8	75%	0.748	82%	0.816	S	S	*	*			trans	-151.1	141.9	-172.5	-165.6	179.6	-174.4	-175.7	0	108.6
9	N	31	Very low	27.9	Very low	157 Å²	157	150 Å²	150	84%	0.84	81%	0.813	S	S	*	*			trans	34.1	120.6	165.9	-59.9	15.9	0	0	0	119.6
10	G	24.7	Very low	27.9	Very low	82 Å²	82	147.9 Å²	147.9	85%	0.845	81%	0.81	S	S	*	*			trans	-169.2	147.6	163.9	0	0	0	0	0	112.6
11	T	24.9	Very low	27.9	Very low	134 Å²	134	145.7 Å²	145.7	82%	0.822	81%	0.806	S	S	*	*			trans	-121	161.3	-177.3	43.4	0	0	0	0	111.9
12	S	25.6	Very low	27.4	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	80%	0.795	S	S	*	*			trans	72.9	157.8	168.3	87.3	0	0	0	0	115.5
13	M	23.9	Very low	27.5	Very low	153 Å²	153	139.7 Å²	139.7	75%	0.754	79%	0.792	S	S	*	*			cis	-166	157.7	-5.2	-133.5	-173.7	162.5	0	0	111.7
14	L	26.3	Very low	28	Very low	138 Å²	138	134 Å²	134	72%	0.723	79%	0.785	S	S	*	*			trans	64.9	161.6	155.1	-56.6	167.9	0	0	0	117.6
15	T	24.7	Very low	27.6	Very low	100 Å²	100	134.7 Å²	134.7	61%	0.613	79%	0.788	S	S	*	*			cis	-156.5	171.8	2.1	-8.6	0	0	0	0	112.9
16	F	25.6	Very low	27.9	Very low	204 Å²	204	141.3 Å²	141.3	90%	0.895	79%	0.792	S	S	*	*			trans	76.2	139.1	167.1	-54.4	-72.6	0	0	0	117.8
17	G	24.1	Very low	27.6	Very low	76 Å²	76	145 Å²	145	78%	0.784	80%	0.798	S	S	*	*			cis	-178.2	146.8	-8.2	0	0	0	0	0	112.7
18	L	28.8	Very low	27.6	Very low	171 Å²	171	144.8 Å²	144.8	90%	0.895	79%	0.793	S	S	*	*			trans	-77.8	151.7	172.1	-85.6	166.1	0	0	0	110.4
19	P	33	Very low	27.5	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	79%	0.793	S	S	*	*				-146.2	-160.5	62.1	47.4	-28.6	0	0	0	112.6
20	S	26.8	Very low	27.3	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	79%	0.789	S	S	*	*			cis	-146.2	154.3	1.9	42.7	0	0	0	0	111.6
21	S	28.1	Very low	27.5	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	78%	0.784	S	S	*	*			trans	-83.7	144.3	171.6	53.7	0	0	0	0	112.6
22	F	25.5	Very low	27.7	Very low	202 Å²	202	147.4 Å²	147.4	89%	0.886	79%	0.788	S	S	*	*			trans	-150	108.4	147.2	-101.3	-72.6	0	0	0	112.2
23	S	32.5	Very low	27.9	Very low	104 Å²	104	147 Å²	147	73%	0.727	79%	0.785	S	S	*	*			trans	-90.5	161.1	145.4	-36	0	0	0	0	106.7
24	P	36.9	Very low	28.4	Very low	104 Å²	104	149.2 Å²	149.2	68%	0.675	79%	0.79	S	S	*	*				-156.2	-178.5	58.9	43.5	-22.2	0	0	0	117.7
25	L	24.9	Very low	28.5	Very low	156 Å²	156	151.8 Å²	151.8	82%	0.817	80%	0.801	S	S	*	*			trans	55.1	132	143.1	-74.6	160.9	0	0	0	122
26	R	31.4	Very low	28.8	Very low	235 Å²	235	156.2 Å²	156.2	89%	0.887	81%	0.814	S	S	*	*			trans	-63.9	147.6	162.1	-63.8	171.3	172.1	166.6	-4.8	111
27	F	26.8	Very low	29.3	Very low	203 Å²	203	150.8 Å²	150.8	89%	0.89	80%	0.8	S	S	*	*			trans	-127.8	161.3	151.8	-102.9	-88.4	0	0	0	111.2
28	Y	25.7	Very low	29.9	Very low	209 Å²	209	158.8 Å²	158.8	82%	0.82	81%	0.806	S	S	*	*			trans	-95.4	173.9	-169.8	-112.8	-101.8	0	0	0	112.9
29	S	25.9	Very low	30.4	Very low	109 Å²	109	158.9 Å²	158.9	76%	0.762	81%	0.806	S	S	*	*			trans	79.6	157.9	169.1	82.3	0	0	0	0	117.9
30	I	28	Very low	30.9	Very low	147 Å²	147	158.4 Å²	158.4	75%	0.754	80%	0.796	S	S	*	*				-167.3	127.8	-61.4	-104.4	159.6	0	0	0	109.5
31	S	29.1	Very low	31.3	Very low	105 Å²	105	162 Å²	162	73%	0.734	80%	0.799	S	S	*	*			trans	71	160.1	153.2	-158.1	0	0	0	0	121.8
32	R	28.1	Very low	31.9	Very low	238 Å²	238	165.2 Å²	165.2	90%	0.898	81%	0.806	S	S	*	*			trans	69	121.3	174.7	-57.5	-175.3	176.9	-178.9	-1.2	115.3
33	S	30.5	Very low	32.5	Very low	104 Å²	104	158.8 Å²	158.8	73%	0.727	80%	0.796	S	S	*	*	S	Bend	cis	-155.8	170.8	4.1	64.8	0	0	0	0	113.3
34	K	32.8	Very low	32.7	Very low	201 Å²	201	159.4 Å²	159.4	87%	0.874	79%	0.791	S	S	*	*			trans	72	68.9	176.1	-57.8	-174.9	179	-178.5	0	117.2
35	M	29.6	Very low	32.6	Very low	192 Å²	192	163.7 Å²	163.7	95%	0.946	80%	0.8	S	S	*	*			trans	-124.6	100.9	148.1	-84	-161.7	-172.8	0	0	110.6
36	Q	30.8	Very low	33.1	Very low	192 Å²	192	164.7 Å²	164.7	90%	0.897	81%	0.805	S	S	*	*			trans	-172.8	139.9	159.9	-108.3	172.8	-15	0	0	106.4
37	P	36.8	Very low	33.3	Very low	91 Å²	91	157.6 Å²	157.6	59%	0.591	79%	0.791	S	S	*	*	S	Bend	cis	-125.7	113.1	0.3	35.1	-16.6	0	0	0	113.3	I40	P37-I40 HydrophobicContact CB-CD1 4.46Å
38	W	35.7	Very low	33.6	Very low	243 Å²	243	152.8 Å²	152.8	92%	0.92	79%	0.789	S	S	*	*			trans	-117.6	11.4	165.9	-98.7	55.7	0	0	0	113.3	I40	W38-I40 PolarHBondContact O-N 3.47Å
39	I	39.5	Very low	34.1	Very low	173 Å²	173	147.1 Å²	147.1	89%	0.887	79%	0.785	S	S	*	*	S	Bend	trans	-102.1	48.6	176.9	-43.4	-178.9	0	0	0	110
40	I	42.7	Very low	34.2	Very low	108 Å²	108	150.1 Å²	150.1	55%	0.554	79%	0.787	S	S	*	*	S	Bend	trans	-130.6	-27.7	173.4	-63	-178.7	0	0	0	110.5	P37 W38 I42 G43	P37-I40 HydrophobicContact CB-CD1 4.46Å; W38-I40 PolarHBondContact O-N 3.47Å; I40-I42 VanDerWaalsContact C-N 3.3Å; I40-I42 PolarHBondContact O-N 3.35Å; I40-G43 PolarHBondContact O-N 3.22Å
41	F	36.8	Very low	34.6	Very low	183 Å²	183	147.9 Å²	147.9	80%	0.803	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-2.9	-172.1	-122	-87.8	0	0	0	116.4
42	I	40.6	Very low	34.6	Very low	170 Å²	170	150.9 Å²	150.9	87%	0.872	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-9.1	176.9	-60.8	178.7	0	0	0	111.5	I40	I40-I42 VanDerWaalsContact C-N 3.3Å; I40-I42 PolarHBondContact O-N 3.35Å
43	G	37.6	Very low	34.6	Very low	67 Å²	67	144.9 Å²	144.9	69%	0.691	77%	0.773	S	S	*	*	S	Bend	trans	-88.5	-1.5	176.8	0	0	0	0	0	115.2	I40	I40-G43 PolarHBondContact O-N 3.22Å
44	L	36.7	Very low	34.6	Very low	117 Å²	117	146.5 Å²	146.5	61%	0.613	77%	0.772	S	S	*	*	S	Bend	trans	-113.9	20	-162.6	-112.5	164.7	0	0	0	114.8
45	F	35.2	Very low	34.5	Very low	195 Å²	195	144.9 Å²	144.9	86%	0.855	76%	0.761	S	S	*	*	S	Bend	trans	-123.2	10.2	179.2	-110.1	-81.5	0	0	0	114.8
46	L	35.9	Very low	34.8	Very low	176 Å²	176	140 Å²	140	92%	0.921	74%	0.743	S	S	*	*	S	Bend	trans	-126.4	21.7	177.1	-80.6	171.3	0	0	0	113.7
47	S	35.1	Very low	35.1	Very low	87 Å²	87	134.5 Å²	134.5	61%	0.608	73%	0.727	S	S	*	*	S	Bend	trans	-129.4	19.2	174.7	68	0	0	0	0	113.5
48	A	33.5	Very low	35.2	Very low	101 Å²	101	139.5 Å²	139.5	84%	0.835	74%	0.739	S	S	*	*	S	Bend	trans	-100.1	16.4	170.6	0	0	0	0	0	112.3
49	A	34.3	Very low	35.4	Very low	90 Å²	90	130.3 Å²	130.3	74%	0.744	72%	0.715	S	S	*	*			trans	-118.5	67.4	173	0	0	0	0	0	109.3
50	H	29.4	Very low	35.4	Very low	172 Å²	172	127.3 Å²	127.3	80%	0.796	70%	0.7	S	S	*	*	S	Bend	trans	-124.2	139.8	158.7	-93.4	31.8	0	0	0	107.2	Q52	H50-Q52 PolarHBondContact O-N 3.01Å
51	S	36	Very low	35.4	Very low	101 Å²	101	125.5 Å²	125.5	71%	0.706	70%	0.697	S	S	*	*			trans	-65.7	105.5	-177.7	46.4	0	0	0	0	110.7	D53	S51-D53 VanDerWaalsContact C-N 3.26Å; S51-D53 WeakPolarHBondContact CB-OD2 3.42Å; S51-D53 PolarHBondContact O-N 2.81Å
52	Q	28.4	Very low	35.8	Very low	168 Å²	168	119.4 Å²	119.4	79%	0.785	68%	0.677	S	S	*	*			trans	-81.2	87.4	147	-74.9	-165.5	-26.9	0	0	107.3	H50 I54	H50-Q52 PolarHBondContact O-N 3.01Å; Q52-I54 HydrophobicContact CB-CG1 4.11Å; Q52-I54 PolarHBondContact O-N 3.31Å
53	D	29	Very low	36.3	Very low	112 Å²	112	112.6 Å²	112.6	60%	0.599	64%	0.642	S	S	*	*			trans	-65.4	80.2	160.8	-67.5	-61.4	0	0	0	108.1	S51 Y55	S51-D53 VanDerWaalsContact C-N 3.26Å; S51-D53 WeakPolarHBondContact CB-OD2 3.42Å; S51-D53 PolarHBondContact O-N 2.81Å; D53-Y55 HydrophobicContact CB-CD2 4.06Å; D53-Y55 HydrophobicContact CB-CE2 3.99Å; D53-Y55 WeakPolarHBondContact O-CD2 3.19Å; D53-Y55 PolarHBondContact O-N 2.83Å
54	I	30.3	Very low	36.8	Very low	138 Å²	138	112.2 Å²	112.2	71%	0.708	63%	0.629	S	S	*	*			trans	-72.4	77.9	168.3	-56	-177.2	0	0	0	106.4	Q52 P56	Q52-I54 HydrophobicContact CB-CG1 4.11Å; Q52-I54 PolarHBondContact O-N 3.31Å; I54-P56 WeakPolarHBondContact O-CD 3.36Å
55	Y	29.9	Very low	37.5	Very low	167 Å²	167	113.1 Å²	113.1	66%	0.655	63%	0.63	S	S	*	*			trans	-52.1	119	174.9	-84.8	-90.6	0	0	0	110.9	D53 S57	D53-Y55 HydrophobicContact CB-CD2 4.06Å; D53-Y55 HydrophobicContact CB-CE2 3.99Å; D53-Y55 WeakPolarHBondContact O-CD2 3.19Å; D53-Y55 PolarHBondContact O-N 2.83Å; Y55-S57 PolarHBondContact O-N 2.87Å
56	P	35.7	Very low	38.1	Very low	88 Å²	88	104.7 Å²	104.7	57%	0.571	60%	0.596	S	S	*	*			trans	-78.5	58.2	153.8	36.3	-33.5	0	0	0	108.4	I54 K58 A59 L60	I54-P56 WeakPolarHBondContact O-CD 3.36Å; P56-K58 PolarHBondContact O-N 3Å; P56-A59 HydrophobicContact CB-CB 4.28Å; P56-A59 PolarHBondContact O-N 3.36Å; P56-L60 PolarHBondContact O-N 3.2Å
57	S	38.7	Very low	39.3	Very low	78 Å²	78	97.6 Å²	97.6	55%	0.545	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.7	0.8	-171.1	44	0	0	0	0	115.1	Y55	Y55-S57 PolarHBondContact O-N 2.87Å
58	K	38	Very low	40.3	Very low	195 Å²	195	100.1 Å²	100.1	85%	0.848	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-10.6	168.2	-75.8	-168.8	170.5	-171.8	0	114.9	P56 S61	P56-K58 PolarHBondContact O-N 3Å; K58-S61 PolarHBondContact O-OG 3.49Å
59	A	39.1	Very low	41.6	Very low	51 Å²	51	99.2 Å²	99.2	42%	0.421	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.3	-39.3	174.2	0	0	0	0	0	111.1	P56 S61 S62 I63	P56-A59 HydrophobicContact CB-CB 4.28Å; P56-A59 PolarHBondContact O-N 3.36Å; A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 2.54Å; A59-S62 PolarHBondContact O-OG 3.1Å; A59-S62 VanDerWaalsContact O-OG 3.1Å; A59-I63 WeakPolarHBondContact O-CG1 3.33Å
60	L	40.9	Very low	43.4	Very low	110 Å²	110	98.1 Å²	98.1	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-71.4	-23.5	179.6	-160.9	64.5	0	0	0	112.9	P56 I63	P56-L60 PolarHBondContact O-N 3.2Å; L60-I63 HydrophobicContact CD1-CB 4.46Å; L60-I63 HydrophobicContact CD1-CD1 4.01Å; L60-I63 PolarHBondContact O-N 2.93Å
61	S	42.9	Very low	46	Very low	70 Å²	70	90.1 Å²	90.1	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-39.5	176.2	51.8	0	0	0	0	113.2	K58 A59 I63 S64	K58-S61 PolarHBondContact O-OG 3.49Å; A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 2.54Å; S61-I63 VanDerWaalsContact C-N 3.3Å; S61-S64 PolarHBondContact O-N 3.36Å
62	S	44.7	Very low	48.4	Very low	54 Å²	54	88.2 Å²	88.2	38%	0.378	48%	0.481	S	S	.	.	H	α-helix	trans	-80.3	-10.2	177.2	54.7	0	0	0	0	113.5	A59 S64 S66	A59-S62 PolarHBondContact O-OG 3.1Å; A59-S62 VanDerWaalsContact O-OG 3.1Å; S62-S64 VanDerWaalsContact C-N 3.29Å; S62-S66 PolarHBondContact O-OG 3.41Å
63	I	50.3	Low	51.1	Low	28 Å²	28	82.2 Å²	82.2	14%	0.144	46%	0.458	C	S	.	.	H	α-helix	trans	-74.1	-24.7	173.2	-69	174.1	0	0	0	110.8	A59 L60 S61 C67 L80 P98 V101	A59-I63 WeakPolarHBondContact O-CG1 3.33Å; L60-I63 HydrophobicContact CD1-CB 4.46Å; L60-I63 HydrophobicContact CD1-CD1 4.01Å; L60-I63 PolarHBondContact O-N 2.93Å; S61-I63 VanDerWaalsContact C-N 3.3Å; I63-C67 WeakPolarHBondContact O-CB 3.47Å; I63-C67 PolarHBondContact O-SG 2.92Å; I63-L80 HydrophobicContact CG2-CD1 4.5Å; I63-L80 HydrophobicContact CG2-CD2 4.26Å; I63-P98 HydrophobicContact CD1-CB 4.14Å; I63-P98 HydrophobicContact CD1-CG 4.33Å; I63-P98 HydrophobicContact CG1-CB 3.83Å; I63-P98 HydrophobicContact CG1-CG 3.66Å; I63-V101 HydrophobicContact CD1-CG2 4.43Å
64	S	49	Very low	53.8	Low	59 Å²	59	83 Å²	83	41%	0.413	46%	0.458	S	S	.	.	H	α-helix	trans	-70.1	-57.1	176.3	-137.4	0	0	0	0	111.8	S61 S62 S66 C67 E68	S61-S64 PolarHBondContact O-N 3.36Å; S62-S64 VanDerWaalsContact C-N 3.29Å; S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 3.06Å; S64-S66 VanDerWaalsContact O-N 3.15Å; S64-C67 CarbonylContact O-C 3.49Å; S64-C67 PolarHBondContact O-N 3.28Å; S64-E68 WeakPolarHBondContact CB-OE1 3.15Å; S64-E68 WeakPolarHBondContact O-CG 3.45Å; S64-E68 PolarHBondContact O-N 3.15Å; S64-E68 PolarHBondContact OG-OE1 3.34Å
65	E	50.5	Low	56.4	Low	135 Å²	135	80.6 Å²	80.6	63%	0.631	46%	0.458	S	S	*	.	H	α-helix	trans	-58.1	-35.9	-171.3	-61.1	177.5	131	0	0	113.6
66	S	49	Very low	58.8	Low	19 Å²	19	78 Å²	78	13%	0.133	45%	0.45	C	S	.	.	H	α-helix	trans	-70.2	-32.1	177	-55.6	0	0	0	0	113.2	S62 S64 Q96	S62-S66 PolarHBondContact O-OG 3.41Å; S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 3.06Å; S64-S66 VanDerWaalsContact O-N 3.15Å; S66-Q96 WeakPolarHBondContact CB-O 3.19Å; S66-Q96 WeakPolarHBondContact OG-CB 3.4Å; S66-Q96 PolarHBondContact OG-OE1 3.46Å
67	C	60.6	Low	60.8	Low	26 Å²	26	81 Å²	81	18%	0.176	46%	0.462	C	S	.	.	H	α-helix	trans	-97.8	-2	-173.4	-67.2	0	0	0	0	113.4	I63 S64 C71 C73	I63-C67 WeakPolarHBondContact O-CB 3.47Å; I63-C67 PolarHBondContact O-SG 2.92Å; S64-C67 CarbonylContact O-C 3.49Å; S64-C67 PolarHBondContact O-N 3.28Å; C67-C71 CarbonylContact C-O 3.16Å; C67-C71 WeakPolarHBondContact CA-O 3.42Å; C67-C73 HydrophobicContact CB-CB 3.56Å; C67-C73 WeakPolarHBondContact CB-SG 3.34Å; C67-C73 WeakPolarHBondContact SG-CB 3.02Å; C67-C73 CovalentContact SG-SG 2.03Å; C67-C73 PolarHBondContact SG-SG 3.41Å
68	E	56.1	Low	62.6	Low	140 Å²	140	80.9 Å²	80.9	65%	0.654	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.4	-179.6	-82.2	168.2	-153.3	0	0	114	S64	S64-E68 WeakPolarHBondContact CB-OE1 3.15Å; S64-E68 WeakPolarHBondContact O-CG 3.45Å; S64-E68 PolarHBondContact O-N 3.15Å; S64-E68 PolarHBondContact OG-OE1 3.34Å
69	S	60.4	Low	64.9	Low	83 Å²	83	73 Å²	73	58%	0.58	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	-63.1	-175	57.3	0	0	0	0	114.8	R87	S69-R87 PolarHBondContact O-NH1 2.95Å
70	L	72.1	Confident	67.2	Low	67 Å²	67	71 Å²	71	35%	0.351	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-41.3	-169.1	-70.2	175.3	0	0	0	114.6	R87 Q94	L70-R87 WeakPolarHBondContact O-CD 3.3Å; L70-R87 VanDerWaalsContact O-CG 3.31Å; L70-R87 WeakPolarHBondContact O-CG 3.48Å; L70-R87 VanDerWaalsContact O-CZ 3.23Å; L70-R87 PolarHBondContact O-NE 3.23Å; L70-R87 PolarHBondContact O-NH1 3.07Å; L70-Q94 HydrophobicContact CD1-CB 4.47Å; L70-Q94 WeakPolarHBondContact CD1-O 3Å
71	C	84.4	Confident	69.5	Low	4 Å²	4	69.1 Å²	69.1	3%	0.027	41%	0.41	C	S	.	.			trans	-129.1	142.6	-173.6	-52.6	0	0	0	0	111.3	C67 N83 C84	C67-C71 CarbonylContact C-O 3.16Å; C67-C71 WeakPolarHBondContact CA-O 3.42Å; C71-N83 CarbonylContact C-O 3.55Å; C71-N83 WeakPolarHBondContact CA-O 3.24Å; C71-N83 WeakPolarHBondContact CB-O 3.45Å; C71-C84 HydrophobicContact CB-CB 4Å; C71-C84 WeakPolarHBondContact CB-SG 2.96Å; C71-C84 WeakPolarHBondContact SG-CB 3.44Å; C71-C84 CovalentContact SG-SG 2.03Å; C71-C84 PolarHBondContact SG-SG 3.12Å
72	S	85.8	Confident	71.8	Confident	61 Å²	61	66 Å²	66	43%	0.427	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.3	171.1	58.9	0	0	0	0	110.4	N83	S72-N83 PolarHBondContact N-O 3.42Å; S72-N83 PolarHBondContact O-N 2.98Å
73	C	86.3	Confident	74	Confident	42 Å²	42	66.5 Å²	66.5	28%	0.284	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.6	-175	-59	0	0	0	0	112.2	C67 L80 H81	C67-C73 HydrophobicContact CB-CB 3.56Å; C67-C73 WeakPolarHBondContact CB-SG 3.34Å; C67-C73 WeakPolarHBondContact SG-CB 3.02Å; C67-C73 CovalentContact SG-SG 2.03Å; C67-C73 PolarHBondContact SG-SG 3.41Å; C73-L80 HydrophobicContact CB-CD1 4.16Å; C73-H81 CarbonylContact C-O 3.53Å; C73-H81 VanDerWaalsContact CA-O 3.3Å; C73-H81 WeakPolarHBondContact CA-O 3.22Å
74	E	84.9	Confident	75.9	Confident	129 Å²	129	65.1 Å²	65.1	60%	0.603	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.1	130	175	-173	-176.1	170.9	0	0	109.6	H81	E74-H81 HydrophobicContact CB-CB 4.45Å; E74-H81 PolarHBondContact N-O 3.28Å; E74-H81 PolarHBondContact O-N 3.47Å
75	A	84.4	Confident	77.8	Confident	86 Å²	86	65.4 Å²	65.4	71%	0.711	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.2	177.2	0	0	0	0	0	110	L80	A75-L80 HydrophobicContact CB-CD1 4.24Å
76	K	81.4	Confident	79.5	Confident	114 Å²	114	63.4 Å²	63.4	50%	0.496	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.4	-176.4	-178.2	168	-177.6	172.2	0	111.2	G78 V79	K76-G78 PolarHBondContact O-N 2.94Å; K76-V79 PolarHBondContact N-O 2.84Å; K76-V79 PolarHBondContact O-N 2.9Å; K76-V79 VanDerWaalsContact O-O 3.05Å
77	D	77.6	Confident	81.3	Confident	151 Å²	151	68 Å²	68	81%	0.807	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	29.2	176.6	-54.8	-41.9	0	0	0	114.6
78	G	76.9	Confident	82.5	Confident	74 Å²	74	71.6 Å²	71.6	76%	0.763	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	4.6	-177.1	0	0	0	0	0	115.4	K76	K76-G78 PolarHBondContact O-N 2.94Å
79	V	84.8	Confident	84	Confident	31 Å²	31	65 Å²	65	19%	0.188	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.4	177.8	-173.9	0	0	0	0	109.6	K76 S102 H104 L127	K76-V79 PolarHBondContact N-O 2.84Å; K76-V79 PolarHBondContact O-N 2.9Å; K76-V79 VanDerWaalsContact O-O 3.05Å; V79-S102 WeakPolarHBondContact CG1-O 3.31Å; V79-H104 VanDerWaalsContact CG1-CD2 3.45Å; V79-H104 WeakPolarHBondContact CG1-CD2 3.3Å; V79-L127 HydrophobicContact CG1-CD1 3.99Å; V79-L127 HydrophobicContact CG2-CD1 4.32Å
80	L	88.8	Confident	85.2	Confident	9 Å²	9	64.1 Å²	64.1	5%	0.047	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.5	177.6	-170.5	63.4	0	0	0	110.7	I63 C73 A75 L82 P98 V101 S102 F103 H104	I63-L80 HydrophobicContact CG2-CD1 4.5Å; I63-L80 HydrophobicContact CG2-CD2 4.26Å; C73-L80 HydrophobicContact CB-CD1 4.16Å; A75-L80 HydrophobicContact CB-CD1 4.24Å; L80-L82 HydrophobicContact CB-CD1 4.29Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CD2-CG 4.24Å; L80-L82 HydrophobicContact CG-CD1 3.79Å; L80-L82 HydrophobicContact CG-CG 4.27Å; L80-P98 HydrophobicContact CD2-CG 3.81Å; L80-V101 HydrophobicContact CB-CG1 4.27Å; L80-S102 PolarHBondContact N-O 3.01Å; L80-S102 VanDerWaalsContact N-O 3.08Å; L80-F103 HydrophobicContact CB-CB 4.03Å; L80-F103 CarbonylContact O-C 3.58Å; L80-F103 WeakPolarHBondContact O-CA 3.47Å; L80-F103 WeakPolarHBondContact O-CB 3.49Å; L80-H104 PolarHBondContact O-N 2.95Å
81	H	89.1	Confident	85.9	Confident	69 Å²	69	65.4 Å²	65.4	32%	0.319	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	105.4	174.9	-69.2	-107	0	0	0	108.7	C73 E74 H104	C73-H81 CarbonylContact C-O 3.53Å; C73-H81 VanDerWaalsContact CA-O 3.3Å; C73-H81 WeakPolarHBondContact CA-O 3.22Å; E74-H81 HydrophobicContact CB-CB 4.45Å; E74-H81 PolarHBondContact N-O 3.28Å; E74-H81 PolarHBondContact O-N 3.47Å; H81-H104 AromaticContact CE1-CD2 3.32Å; H81-H104 PolarHBondContact CE1-CD2 3.12Å; H81-H104 AromaticContact CE1-CG 3.85Å; H81-H104 AromaticContact CE1-NE2 3.95Å; H81-H104 AromaticContact ND1-CD2 3.75Å; H81-H104 AromaticContact ND1-CG 3.91Å; H81-H104 AromaticContact NE2-CD2 3.62Å
82	L	90.5	Very high	86.1	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.5	175.8	-59.8	89.7	0	0	0	109	L80 F103 H104 L105 N106	L80-L82 HydrophobicContact CB-CD1 4.29Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CD2-CG 4.24Å; L80-L82 HydrophobicContact CG-CD1 3.79Å; L80-L82 HydrophobicContact CG-CG 4.27Å; L82-F103 HydrophobicContact CD1-CB 3.63Å; L82-F103 HydrophobicContact CD1-CD2 3.91Å; L82-F103 HydrophobicContact CD1-CG 3.93Å; L82-H104 PolarHBondContact N-O 2.77Å; L82-L105 HydrophobicContact CB-CD1 3.83Å; L82-N106 PolarHBondContact O-N 2.94Å
83	N	90.2	Very high	86	Confident	64 Å²	64	66.4 Å²	66.4	34%	0.342	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.4	172.9	-169.7	11.9	0	0	0	111	C71 S72 E85 N106	C71-N83 CarbonylContact C-O 3.55Å; C71-N83 WeakPolarHBondContact CA-O 3.24Å; C71-N83 WeakPolarHBondContact CB-O 3.45Å; S72-N83 PolarHBondContact N-O 3.42Å; S72-N83 PolarHBondContact O-N 2.98Å; N83-E85 WeakPolarHBondContact OD1-CB 3.39Å; N83-E85 PolarHBondContact OD1-N 2.03Å; N83-E85 VanDerWaalsContact OD1-N 3.16Å; N83-N106 PolarHBondContact OD1-ND2 2.84Å
84	C	90.7	Very high	85.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.374	C	S	.	.			trans	-115.7	22.5	178.9	-48.5	0	0	0	0	111.5	C71 Q86 R87 I89 N106 L107 N110	C71-C84 HydrophobicContact CB-CB 4Å; C71-C84 WeakPolarHBondContact CB-SG 2.96Å; C71-C84 WeakPolarHBondContact SG-CB 3.44Å; C71-C84 CovalentContact SG-SG 2.03Å; C71-C84 PolarHBondContact SG-SG 3.12Å; C84-Q86 PolarHBondContact O-N 3.5Å; C84-R87 WeakPolarHBondContact O-CG 3.06Å; C84-I89 HydrophobicContact CB-CD1 3.68Å; C84-N106 CarbonylContact C-O 3.58Å; C84-N106 VanDerWaalsContact CA-O 3.29Å; C84-N106 WeakPolarHBondContact CA-O 3.4Å; C84-N106 VanDerWaalsContact CB-O 3.25Å; C84-N106 WeakPolarHBondContact CB-O 3.36Å; C84-N106 PolarHBondContact N-O 3.08Å; C84-L107 HydrophobicContact CB-CD2 3.61Å; C84-L107 HydrophobicContact CB-CG 4.45Å; C84-N110 PolarHBondContact O-ND2 2.9Å
85	E	90.1	Very high	85.7	Confident	64 Å²	64	62.8 Å²	62.8	30%	0.299	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	134.2	179.8	179.3	171.1	169.8	0	0	112.2	N83 R87 N106 Y108 K109	N83-E85 WeakPolarHBondContact OD1-CB 3.39Å; N83-E85 PolarHBondContact OD1-N 2.03Å; N83-E85 VanDerWaalsContact OD1-N 3.16Å; E85-R87 PolarHBondContact O-N 2.67Å; E85-N106 PolarHBondContact OE2-ND2 3.39Å; E85-Y108 VanDerWaalsContact CA-O 3.32Å; E85-Y108 WeakPolarHBondContact CA-O 3.37Å; E85-Y108 HydrophobicContact CG-CD1 4.29Å; E85-K109 HydrophobicContact CG-CD 4.15Å; E85-K109 WeakPolarHBondContact OE1-CD 3.44Å; E85-K109 IonicContact OE1-NZ 3.27Å; E85-K109 PolarHBondContact OE1-NZ 3.37Å
86	Q	85.8	Confident	85.4	Confident	94 Å²	94	64.8 Å²	64.8	44%	0.439	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	50.5	174.5	-158.7	175	-1.1	0	0	113.5	C84 Y108 K109	C84-Q86 PolarHBondContact O-N 3.5Å; Q86-Y108 PolarHBondContact N-O 3.17Å; Q86-Y108 VanDerWaalsContact N-O 3.12Å; Q86-K109 WeakPolarHBondContact CA-O 3.42Å; Q86-K109 HydrophobicContact CB-CB 4.27Å
87	R	86.4	Confident	85.2	Confident	114 Å²	114	61.1 Å²	61.1	43%	0.43	33%	0.329	S	S	.	.	S	Bend	trans	-113.5	10.6	-179	-64.2	-61.5	-175.2	124.5	-2.5	113.9	S69 L70 C84 E85 I89 N110	S69-R87 PolarHBondContact O-NH1 2.95Å; L70-R87 WeakPolarHBondContact O-CD 3.3Å; L70-R87 VanDerWaalsContact O-CG 3.31Å; L70-R87 WeakPolarHBondContact O-CG 3.48Å; L70-R87 VanDerWaalsContact O-CZ 3.23Å; L70-R87 PolarHBondContact O-NE 3.23Å; L70-R87 PolarHBondContact O-NH1 3.07Å; C84-R87 WeakPolarHBondContact O-CG 3.06Å; E85-R87 PolarHBondContact O-N 2.67Å; R87-I89 HydrophobicContact CB-CD1 3.83Å; R87-I89 HydrophobicContact CB-CG1 3.85Å; R87-I89 PolarHBondContact O-N 3.16Å; R87-N110 WeakPolarHBondContact CA-OD1 3.17Å; R87-N110 PolarHBondContact N-OD1 2.72Å
88	N	85.3	Confident	84.9	Confident	102 Å²	102	54.7 Å²	54.7	55%	0.545	30%	0.296	S	S	.	.			trans	51.8	34.3	-176.9	-59.4	12.4	0	0	0	113.4	S90 N110 D111	N88-S90 PolarHBondContact O-N 2.84Å; N88-N110 PolarHBondContact N-OD1 3.32Å; N88-N110 VanDerWaalsContact N-OD1 3.12Å; N88-D111 VanDerWaalsContact CA-OD2 3.26Å; N88-D111 WeakPolarHBondContact CA-OD2 3.36Å; N88-D111 WeakPolarHBondContact CB-OD2 3.36Å
89	I	87.2	Confident	84.7	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	30%	0.299	C	S	.	.			trans	-72.3	116.4	-179.2	-65.3	168.6	0	0	0	108.6	C84 R87 K91 I95 L107 N110 D111 L112	C84-I89 HydrophobicContact CB-CD1 3.68Å; R87-I89 HydrophobicContact CB-CD1 3.83Å; R87-I89 HydrophobicContact CB-CG1 3.85Å; R87-I89 PolarHBondContact O-N 3.16Å; I89-K91 WeakPolarHBondContact CG2-O 3.25Å; I89-I95 HydrophobicContact CD1-CD1 4.17Å; I89-I95 HydrophobicContact CD1-CG1 4.12Å; I89-I95 HydrophobicContact CG2-CD1 4.41Å; I89-I95 HydrophobicContact CG2-CG1 4.44Å; I89-L107 HydrophobicContact CD1-CD2 3.76Å; I89-L107 HydrophobicContact CG2-CD2 4.37Å; I89-N110 HydrophobicContact CB-CB 4.15Å; I89-N110 WeakPolarHBondContact CB-OD1 3.04Å; I89-N110 PolarHBondContact N-OD1 2.94Å; I89-N110 WeakPolarHBondContact O-CB 3.37Å; I89-D111 CarbonylContact O-C 3.57Å; I89-D111 PolarHBondContact O-N 3.19Å; I89-D111 VanDerWaalsContact O-N 3.1Å; I89-L112 HydrophobicContact CG2-CD2 4.44Å
90	S	86.9	Confident	84.3	Confident	66 Å²	66	59.8 Å²	59.8	46%	0.462	34%	0.335	S	S	.	.			trans	-99.4	-12.3	-178.1	40.8	0	0	0	0	113.1	N88 Q94	N88-S90 PolarHBondContact O-N 2.84Å; S90-Q94 VanDerWaalsContact N-OE1 3.15Å; S90-Q94 PolarHBondContact OG-NE2 3.04Å
91	K	87.1	Confident	84.1	Confident	93 Å²	93	61.5 Å²	61.5	40%	0.404	35%	0.346	S	S	.	.			trans	-148.2	141.1	174.9	-64.5	-172.8	-179.6	179.2	0	110.5	I89 S93 Q94	I89-K91 WeakPolarHBondContact CG2-O 3.25Å; K91-S93 PolarHBondContact O-N 2.83Å; K91-Q94 HydrophobicContact CB-CG 4.25Å; K91-Q94 VanDerWaalsContact O-CB 3.3Å; K91-Q94 WeakPolarHBondContact O-CB 3.41Å; K91-Q94 WeakPolarHBondContact O-CG 3.26Å; K91-Q94 PolarHBondContact O-N 3.07Å; K91-Q94 VanDerWaalsContact O-N 3.15Å
92	I	87.4	Confident	84.1	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.031	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-70.9	-25.6	-179.9	-70.7	166.4	0	0	0	110.9	Q94 I95 L107 L112 L115 E119 M120 L123	I92-Q94 PolarHBondContact O-N 3.47Å; I92-Q94 VanDerWaalsContact O-N 3.08Å; I92-I95 WeakPolarHBondContact O-CB 3.49Å; I92-I95 PolarHBondContact O-N 2.84Å; I92-L107 HydrophobicContact CD1-CD1 4.23Å; I92-L107 HydrophobicContact CG1-CD1 3.95Å; I92-L112 HydrophobicContact CD1-CD1 4.15Å; I92-L112 HydrophobicContact CG1-CD1 4.17Å; I92-L112 HydrophobicContact CG1-CD2 4.08Å; I92-L115 HydrophobicContact CD1-CD2 4.08Å; I92-E119 HydrophobicContact CB-CB 4.17Å; I92-E119 WeakPolarHBondContact CB-OE2 3.44Å; I92-E119 HydrophobicContact CG2-CB 4.42Å; I92-E119 PolarHBondContact N-OE2 2.82Å; I92-M120 HydrophobicContact CD1-CE 3.34Å; I92-L123 HydrophobicContact CD1-CD1 4.31Å; I92-L123 HydrophobicContact CG2-CD1 4Å; I92-L123 HydrophobicContact CG2-CD2 4.43Å; I92-L123 HydrophobicContact CG2-CG 4.21Å
93	S	83.6	Confident	84.1	Confident	80 Å²	80	60.7 Å²	60.7	56%	0.559	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-60.5	-11.4	170.4	53.8	0	0	0	0	115.2	K91 I95 E119	K91-S93 PolarHBondContact O-N 2.83Å; S93-I95 VanDerWaalsContact C-N 3.25Å; S93-E119 WeakPolarHBondContact CB-OE1 3.29Å; S93-E119 PolarHBondContact N-OE2 2.81Å; S93-E119 PolarHBondContact OG-OE1 2.75Å
94	Q	83.3	Confident	84.3	Confident	80 Å²	80	60.5 Å²	60.5	37%	0.374	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-73.2	-19.7	171.3	-65.5	163.2	4.2	0	0	112.1	L70 S90 K91 I92	L70-Q94 HydrophobicContact CD1-CB 4.47Å; L70-Q94 WeakPolarHBondContact CD1-O 3Å; S90-Q94 VanDerWaalsContact N-OE1 3.15Å; S90-Q94 PolarHBondContact OG-NE2 3.04Å; K91-Q94 HydrophobicContact CB-CG 4.25Å; K91-Q94 VanDerWaalsContact O-CB 3.3Å; K91-Q94 WeakPolarHBondContact O-CB 3.41Å; K91-Q94 WeakPolarHBondContact O-CG 3.26Å; K91-Q94 PolarHBondContact O-N 3.07Å; K91-Q94 VanDerWaalsContact O-N 3.15Å; I92-Q94 PolarHBondContact O-N 3.47Å; I92-Q94 VanDerWaalsContact O-N 3.08Å
95	I	82.8	Confident	84.4	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.077	35%	0.346	C	S	.	.	S	Bend	trans	-97.4	119.5	-177.1	-45.4	164.8	0	0	0	108.7	I89 I92 S93 I97 L107	I89-I95 HydrophobicContact CD1-CD1 4.17Å; I89-I95 HydrophobicContact CD1-CG1 4.12Å; I89-I95 HydrophobicContact CG2-CD1 4.41Å; I89-I95 HydrophobicContact CG2-CG1 4.44Å; I92-I95 WeakPolarHBondContact O-CB 3.49Å; I92-I95 PolarHBondContact O-N 2.84Å; S93-I95 VanDerWaalsContact C-N 3.25Å; I95-I97 HydrophobicContact CB-CD1 4.3Å; I95-I97 HydrophobicContact CB-CG1 4.16Å; I95-I97 HydrophobicContact CG2-CD1 4.1Å; I95-I97 HydrophobicContact CG2-CG1 3.68Å; I95-L107 HydrophobicContact CD1-CD1 4.04Å; I95-L107 HydrophobicContact CD1-CD2 3.49Å; I95-L107 VanDerWaalsContact CD1-CD2 3.49Å; I95-L107 HydrophobicContact CD1-CG 4.25Å
96	Q	77.3	Confident	84.5	Confident	129 Å²	129	59.1 Å²	59.1	60%	0.603	34%	0.34	S	S	*	.			trans	-77.2	123.6	166.8	-68.1	177.4	1	0	0	108.8	S66	S66-Q96 WeakPolarHBondContact CB-O 3.19Å; S66-Q96 WeakPolarHBondContact OG-CB 3.4Å; S66-Q96 PolarHBondContact OG-OE1 3.46Å
97	I	78.6	Confident	84.9	Confident	36 Å²	36	54.6 Å²	54.6	19%	0.185	32%	0.319	C	S	.	.			trans	-120.4	125.6	-172	-65.3	-177.4	0	0	0	109.8	I95 S99 F103 L105 L123	I95-I97 HydrophobicContact CB-CD1 4.3Å; I95-I97 HydrophobicContact CB-CG1 4.16Å; I95-I97 HydrophobicContact CG2-CD1 4.1Å; I95-I97 HydrophobicContact CG2-CG1 3.68Å; I97-S99 PolarHBondContact O-N 2.83Å; I97-S99 VanDerWaalsContact O-N 3.17Å; I97-F103 HydrophobicContact CG2-CD1 4.18Å; I97-F103 HydrophobicContact CG2-CE1 3.46Å; I97-F103 VanDerWaalsContact CG2-CE1 3.46Å; I97-F103 HydrophobicContact CG2-CE2 4.19Å; I97-F103 HydrophobicContact CG2-CZ 3.47Å; I97-F103 VanDerWaalsContact CG2-CZ 3.47Å; I97-L105 HydrophobicContact CD1-CD2 4Å; I97-L123 HydrophobicContact CD1-CD2 3.35Å; I97-L123 HydrophobicContact CD1-CG 4.46Å
98	P	70.9	Confident	85.2	Confident	17 Å²	17	50.3 Å²	50.3	11%	0.11	30%	0.303	C	S	.	.			trans	-62.8	115.7	-176.8	-26.2	36.8	0	0	0	113	I63 L80 V101	I63-P98 HydrophobicContact CD1-CB 4.14Å; I63-P98 HydrophobicContact CD1-CG 4.33Å; I63-P98 HydrophobicContact CG1-CB 3.83Å; I63-P98 HydrophobicContact CG1-CG 3.66Å; L80-P98 HydrophobicContact CD2-CG 3.81Å; P98-V101 HydrophobicContact CB-CB 4.47Å; P98-V101 HydrophobicContact CB-CG2 4.31Å
99	S	72.5	Confident	85.2	Confident	120 Å²	120	46 Å²	46	84%	0.839	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	140.1	179.6	59	0	0	0	0	111.8	I97 V101	I97-S99 PolarHBondContact O-N 2.83Å; I97-S99 VanDerWaalsContact O-N 3.17Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 2.03Å
100	G	75.6	Confident	85.3	Confident	91 Å²	91	46 Å²	46	94%	0.938	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-6.7	179.6	0	0	0	0	0	116
101	V	84.2	Confident	85.3	Confident	45 Å²	45	45 Å²	45	27%	0.273	27%	0.268	S	S	.	.			trans	-95.8	148	173.9	-175.2	0	0	0	0	109.9	I63 L80 P98 S99	I63-V101 HydrophobicContact CD1-CG2 4.43Å; L80-V101 HydrophobicContact CB-CG1 4.27Å; P98-V101 HydrophobicContact CB-CB 4.47Å; P98-V101 HydrophobicContact CB-CG2 4.31Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 2.03Å
102	S	89.6	Confident	85.4	Confident	55 Å²	55	40.6 Å²	40.6	39%	0.385	25%	0.249	S	C	.	.			trans	-89.2	137.6	171.6	-64.2	0	0	0	0	110.6	V79 L80 G125	V79-S102 WeakPolarHBondContact CG1-O 3.31Å; L80-S102 PolarHBondContact N-O 3.01Å; L80-S102 VanDerWaalsContact N-O 3.08Å; S102-G125 WeakPolarHBondContact CA-O 3.21Å
103	F	91.3	Very high	85.5	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.9	-171.6	63.4	-96.1	0	0	0	116	L80 L82 I97 L105 L123 G125 A126 L127	L80-F103 HydrophobicContact CB-CB 4.03Å; L80-F103 CarbonylContact O-C 3.58Å; L80-F103 WeakPolarHBondContact O-CA 3.47Å; L80-F103 WeakPolarHBondContact O-CB 3.49Å; L82-F103 HydrophobicContact CD1-CB 3.63Å; L82-F103 HydrophobicContact CD1-CD2 3.91Å; L82-F103 HydrophobicContact CD1-CG 3.93Å; I97-F103 HydrophobicContact CG2-CD1 4.18Å; I97-F103 HydrophobicContact CG2-CE1 3.46Å; I97-F103 VanDerWaalsContact CG2-CE1 3.46Å; I97-F103 HydrophobicContact CG2-CE2 4.19Å; I97-F103 HydrophobicContact CG2-CZ 3.47Å; I97-F103 VanDerWaalsContact CG2-CZ 3.47Å; F103-L105 HydrophobicContact CD2-CB 4.01Å; F103-L105 HydrophobicContact CE2-CB 3.95Å; F103-L105 HydrophobicContact CE2-CD2 4.37Å; F103-L123 HydrophobicContact CE2-CD2 4Å; F103-L123 HydrophobicContact CZ-CD2 3.93Å; F103-G125 VanDerWaalsContact CE1-C 3.48Å; F103-G125 PolarHBondContact N-O 2.96Å; F103-G125 VanDerWaalsContact N-O 3.07Å; F103-A126 HydrophobicContact CD2-CB 4.26Å; F103-A126 HydrophobicContact CE2-CB 3.63Å; F103-A126 HydrophobicContact CZ-CB 3.86Å; F103-A126 CarbonylContact O-C 3.59Å; F103-A126 WeakPolarHBondContact O-CA 3.41Å; F103-L127 PolarHBondContact O-N 3.22Å
104	H	92.7	Very high	85.7	Confident	60 Å²	60	45 Å²	45	28%	0.278	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.1	165.4	-63.5	-92.4	0	0	0	108.6	V79 L80 H81 L82 S128	V79-H104 VanDerWaalsContact CG1-CD2 3.45Å; V79-H104 WeakPolarHBondContact CG1-CD2 3.3Å; L80-H104 PolarHBondContact O-N 2.95Å; H81-H104 AromaticContact CE1-CD2 3.32Å; H81-H104 PolarHBondContact CE1-CD2 3.12Å; H81-H104 AromaticContact CE1-CG 3.85Å; H81-H104 AromaticContact CE1-NE2 3.95Å; H81-H104 AromaticContact ND1-CD2 3.75Å; H81-H104 AromaticContact ND1-CG 3.91Å; H81-H104 AromaticContact NE2-CD2 3.62Å; L82-H104 PolarHBondContact N-O 2.77Å; H104-S128 WeakPolarHBondContact ND1-CB 3.2Å
105	L	93.1	Very high	86.1	Confident	2 Å²	2	42 Å²	42	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.6	179.8	178.5	59.7	0	0	0	111	L82 I97 F103 L107 L123 S128 L129 H130	L82-L105 HydrophobicContact CB-CD1 3.83Å; I97-L105 HydrophobicContact CD1-CD2 4Å; F103-L105 HydrophobicContact CD2-CB 4.01Å; F103-L105 HydrophobicContact CE2-CB 3.95Å; F103-L105 HydrophobicContact CE2-CD2 4.37Å; L105-L107 HydrophobicContact CD1-CD1 4.47Å; L105-L107 HydrophobicContact CD1-CG 4.19Å; L105-L107 HydrophobicContact CD2-CD1 3.75Å; L105-L107 HydrophobicContact CD2-CG 4.33Å; L105-L107 HydrophobicContact CG-CD1 3.98Å; L105-L107 HydrophobicContact CG-CG 4.04Å; L105-L123 HydrophobicContact CD2-CD2 3.42Å; L105-L123 VanDerWaalsContact CD2-CD2 3.42Å; L105-S128 PolarHBondContact N-O 3.1Å; L105-L129 HydrophobicContact CB-CD1 4.33Å; L105-L129 HydrophobicContact CD2-CD1 3.99Å; L105-L129 HydrophobicContact CG-CD1 4.22Å; L105-H130 PolarHBondContact O-N 2.98Å
106	N	93.7	Very high	86.3	Confident	32 Å²	32	46.6 Å²	46.6	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.2	173.7	-172.3	35	0	0	0	110.5	L82 N83 C84 E85 Y108 H130	L82-N106 PolarHBondContact O-N 2.94Å; N83-N106 PolarHBondContact OD1-ND2 2.84Å; C84-N106 CarbonylContact C-O 3.58Å; C84-N106 VanDerWaalsContact CA-O 3.29Å; C84-N106 WeakPolarHBondContact CA-O 3.4Å; C84-N106 VanDerWaalsContact CB-O 3.25Å; C84-N106 WeakPolarHBondContact CB-O 3.36Å; C84-N106 PolarHBondContact N-O 3.08Å; E85-N106 PolarHBondContact OE2-ND2 3.39Å; N106-Y108 WeakPolarHBondContact OD1-CB 3.1Å; N106-Y108 PolarHBondContact OD1-N 3.24Å; N106-H130 PolarHBondContact OD1-ND1 3.15Å
107	L	92.9	Very high	86.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.			trans	-118.1	23.2	176.4	-74.4	165.4	0	0	0	111.9	C84 I89 I92 I95 L105 N110 L112 L129 H130 I131 N134	C84-L107 HydrophobicContact CB-CD2 3.61Å; C84-L107 HydrophobicContact CB-CG 4.45Å; I89-L107 HydrophobicContact CD1-CD2 3.76Å; I89-L107 HydrophobicContact CG2-CD2 4.37Å; I92-L107 HydrophobicContact CD1-CD1 4.23Å; I92-L107 HydrophobicContact CG1-CD1 3.95Å; I95-L107 HydrophobicContact CD1-CD1 4.04Å; I95-L107 HydrophobicContact CD1-CD2 3.49Å; I95-L107 VanDerWaalsContact CD1-CD2 3.49Å; I95-L107 HydrophobicContact CD1-CG 4.25Å; L105-L107 HydrophobicContact CD1-CD1 4.47Å; L105-L107 HydrophobicContact CD1-CG 4.19Å; L105-L107 HydrophobicContact CD2-CD1 3.75Å; L105-L107 HydrophobicContact CD2-CG 4.33Å; L105-L107 HydrophobicContact CG-CD1 3.98Å; L105-L107 HydrophobicContact CG-CG 4.04Å; L107-N110 VanDerWaalsContact C-ND2 3.27Å; L107-N110 PolarHBondContact O-ND2 3.41Å; L107-L112 HydrophobicContact CD1-CD1 4.49Å; L107-L129 HydrophobicContact CD1-CD1 4.36Å; L107-H130 CarbonylContact C-O 3.13Å; L107-H130 VanDerWaalsContact CA-O 3.24Å; L107-H130 WeakPolarHBondContact CA-O 3.49Å; L107-H130 WeakPolarHBondContact CB-O 3.4Å; L107-H130 PolarHBondContact N-O 3.46Å; L107-I131 HydrophobicContact CB-CG2 4.07Å; L107-I131 HydrophobicContact CD1-CG2 4.18Å; L107-N134 PolarHBondContact O-ND2 3.44Å
108	Y	92.2	Very high	87.1	Confident	23 Å²	23	49.5 Å²	49.5	9%	0.09	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	143.4	175.7	-166.2	-132.7	0	0	0	112.2	E85 Q86 N106 N110 H130 G132 Q362	E85-Y108 VanDerWaalsContact CA-O 3.32Å; E85-Y108 WeakPolarHBondContact CA-O 3.37Å; E85-Y108 HydrophobicContact CG-CD1 4.29Å; Q86-Y108 PolarHBondContact N-O 3.17Å; Q86-Y108 VanDerWaalsContact N-O 3.12Å; N106-Y108 WeakPolarHBondContact OD1-CB 3.1Å; N106-Y108 PolarHBondContact OD1-N 3.24Å; Y108-N110 VanDerWaalsContact C-N 3.34Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 PolarHBondContact O-ND2 2.57Å; Y108-N110 VanDerWaalsContact O-ND2 3.15Å; Y108-H130 AromaticContact CD2-CE1 3.28Å; Y108-H130 WeakPolarHBondContact CD2-CE1 3.4Å; Y108-H130 AromaticContact CD2-NE2 3.19Å; Y108-H130 WeakPolarHBondContact CD2-NE2 3.44Å; Y108-H130 AromaticContact CE2-NE2 3.79Å; Y108-H130 AromaticContact CG-CE1 3.37Å; Y108-H130 AromaticContact CG-NE2 3.78Å; Y108-H130 PolarHBondContact N-O 3.27Å; Y108-G132 WeakPolarHBondContact CA-O 3.44Å; Y108-G132 VanDerWaalsContact CD2-C 3.42Å; Y108-G132 WeakPolarHBondContact CD2-O 3.32Å; Y108-Q362 PolarHBondContact OH-NE2 3.08Å
109	K	85.8	Confident	87.7	Confident	13 Å²	13	50.1 Å²	50.1	6%	0.057	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	43.2	178.8	-57.5	162.3	178.1	160.1	0	114.3	E85 Q86 G132 G133 D363	E85-K109 HydrophobicContact CG-CD 4.15Å; E85-K109 WeakPolarHBondContact OE1-CD 3.44Å; E85-K109 IonicContact OE1-NZ 3.27Å; E85-K109 PolarHBondContact OE1-NZ 3.37Å; Q86-K109 WeakPolarHBondContact CA-O 3.42Å; Q86-K109 HydrophobicContact CB-CB 4.27Å; K109-G132 PolarHBondContact N-O 3.15Å; K109-G133 WeakPolarHBondContact CA-O 3.11Å; K109-D363 VanDerWaalsContact CE-CB 3.42Å; K109-D363 WeakPolarHBondContact CE-O 3.21Å; K109-D363 WeakPolarHBondContact CE-OD1 3.33Å; K109-D363 WeakPolarHBondContact CE-OD2 3.36Å; K109-D363 PolarHBondContact NZ-O 2.69Å; K109-D363 IonicContact NZ-OD1 2.71Å; K109-D363 PolarHBondContact NZ-OD1 3.06Å; K109-D363 IonicContact NZ-OD2 2.65Å; K109-D363 PolarHBondContact NZ-OD2 3.01Å
110	N	89.6	Confident	88.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.			trans	-107.4	-177.8	169	-75.1	-76.3	0	0	0	109.8	C84 R87 N88 I89 L107 Y108 N134	C84-N110 PolarHBondContact O-ND2 2.9Å; R87-N110 WeakPolarHBondContact CA-OD1 3.17Å; R87-N110 PolarHBondContact N-OD1 2.72Å; N88-N110 PolarHBondContact N-OD1 3.32Å; N88-N110 VanDerWaalsContact N-OD1 3.12Å; I89-N110 HydrophobicContact CB-CB 4.15Å; I89-N110 WeakPolarHBondContact CB-OD1 3.04Å; I89-N110 PolarHBondContact N-OD1 2.94Å; I89-N110 WeakPolarHBondContact O-CB 3.37Å; L107-N110 VanDerWaalsContact C-ND2 3.27Å; L107-N110 PolarHBondContact O-ND2 3.41Å; Y108-N110 VanDerWaalsContact C-N 3.34Å; Y108-N110 PolarHBondContact O-N 2.97Å; Y108-N110 PolarHBondContact O-ND2 2.57Å; Y108-N110 VanDerWaalsContact O-ND2 3.15Å; N110-N134 WeakPolarHBondContact CA-OD1 3.46Å; N110-N134 WeakPolarHBondContact CB-OD1 3.32Å; N110-N134 WeakPolarHBondContact O-CA 3.24Å; N110-N134 VanDerWaalsContact O-CG 3.29Å; N110-N134 PolarHBondContact O-OD1 3.37Å
111	D	86.9	Confident	89	Confident	45 Å²	45	46 Å²	46	24%	0.241	23%	0.231	C	C	.	.			trans	-110.6	35.6	-170.5	-51.7	-50.2	0	0	0	111	N88 I89 V113 R364	N88-D111 VanDerWaalsContact CA-OD2 3.26Å; N88-D111 WeakPolarHBondContact CA-OD2 3.36Å; N88-D111 WeakPolarHBondContact CB-OD2 3.36Å; I89-D111 CarbonylContact O-C 3.57Å; I89-D111 PolarHBondContact O-N 3.19Å; I89-D111 VanDerWaalsContact O-N 3.1Å; D111-V113 PolarHBondContact O-N 2.83Å; D111-R364 IonicContact OD1-CZ 3.18Å; D111-R364 IonicContact OD1-NH1 2.72Å; D111-R364 PolarHBondContact OD1-NH1 3.04Å; D111-R364 IonicContact OD1-NH2 2.6Å; D111-R364 PolarHBondContact OD1-NH2 3.37Å
112	L	90.4	Very high	88.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.			trans	-68.7	126.2	173.6	-57.3	172.8	0	0	0	109.9	I89 I92 L107 L115 I131 N134 S135 I136	I89-L112 HydrophobicContact CG2-CD2 4.44Å; I92-L112 HydrophobicContact CD1-CD1 4.15Å; I92-L112 HydrophobicContact CG1-CD1 4.17Å; I92-L112 HydrophobicContact CG1-CD2 4.08Å; L107-L112 HydrophobicContact CD1-CD1 4.49Å; L112-L115 HydrophobicContact CD1-CD2 4.43Å; L112-I131 HydrophobicContact CD1-CG2 4.13Å; L112-N134 HydrophobicContact CB-CB 4.2Å; L112-N134 WeakPolarHBondContact CB-OD1 3.28Å; L112-N134 WeakPolarHBondContact CD1-OD1 3.21Å; L112-N134 WeakPolarHBondContact CG-OD1 3.39Å; L112-N134 PolarHBondContact N-OD1 3.15Å; L112-N134 VanDerWaalsContact N-OD1 3.13Å; L112-S135 CarbonylContact O-C 3.41Å; L112-S135 VanDerWaalsContact O-C 3.26Å; L112-S135 VanDerWaalsContact O-CA 3.3Å; L112-S135 WeakPolarHBondContact O-CA 3.34Å; L112-S135 WeakPolarHBondContact O-CB 3.28Å; L112-S135 PolarHBondContact O-N 2.73Å; L112-I136 HydrophobicContact CB-CD1 4.46Å; L112-I136 HydrophobicContact CB-CG1 4.27Å; L112-I136 WeakPolarHBondContact O-CG1 3.45Å; L112-I136 PolarHBondContact O-N 3.36Å
113	V	87.8	Confident	88.9	Confident	72 Å²	72	43.8 Å²	43.8	44%	0.436	23%	0.225	S	C	.	.			trans	-107.3	-32.2	-179.4	-175.9	0	0	0	0	112.2	D111 I136	D111-V113 PolarHBondContact O-N 2.83Å; V113-I136 WeakPolarHBondContact O-CA 3.42Å
114	E	88.6	Confident	88.8	Confident	106 Å²	106	52.3 Å²	52.3	50%	0.495	26%	0.257	S	S	.	.			trans	-139.6	155.2	-179.3	57.4	174.1	-155.3	0	0	109.3	R116	E114-R116 IonicContact OE1-CZ 2.83Å; E114-R116 IonicContact OE1-NE 3.38Å; E114-R116 PolarHBondContact OE1-NE 3Å; E114-R116 IonicContact OE1-NH2 2.64Å; E114-R116 PolarHBondContact OE1-NH2 2.85Å
115	L	91.3	Very high	88.5	Confident	16 Å²	16	50.3 Å²	50.3	8%	0.084	25%	0.253	C	S	.	.			trans	-115.8	125	172.6	-60.8	-174.2	0	0	0	109.5	I92 L112 M120 I131 I136 L139 V143 F144	I92-L115 HydrophobicContact CD1-CD2 4.08Å; L112-L115 HydrophobicContact CD1-CD2 4.43Å; L115-M120 HydrophobicContact CB-CE 4.25Å; L115-M120 HydrophobicContact CD1-CE 4.24Å; L115-M120 HydrophobicContact CD2-CE 4.01Å; L115-M120 HydrophobicContact CG-CE 4.4Å; L115-I131 HydrophobicContact CD1-CD1 3.56Å; L115-I136 HydrophobicContact CD1-CD1 4.33Å; L115-I136 HydrophobicContact CD2-CD1 4.01Å; L115-I136 HydrophobicContact CG-CD1 4.13Å; L115-L139 HydrophobicContact CD1-CD2 3.51Å; L115-L139 HydrophobicContact CG-CD2 4.18Å; L115-V143 HydrophobicContact CB-CG2 3.76Å; L115-V143 WeakPolarHBondContact O-CG2 3.14Å; L115-F144 HydrophobicContact CD1-CE1 3.8Å; L115-F144 HydrophobicContact CD1-CZ 3.87Å
116	R	87.6	Confident	88.5	Confident	112 Å²	112	50.2 Å²	50.2	42%	0.423	25%	0.253	S	S	.	.			trans	-101.7	137.7	-179.7	-61.2	178.5	-179.2	-149.9	-5.7	110.6	E114 E118 E119 M120	E114-R116 IonicContact OE1-CZ 2.83Å; E114-R116 IonicContact OE1-NE 3.38Å; E114-R116 PolarHBondContact OE1-NE 3Å; E114-R116 IonicContact OE1-NH2 2.64Å; E114-R116 PolarHBondContact OE1-NH2 2.85Å; R116-E118 PolarHBondContact O-N 3.5Å; R116-E119 HydrophobicContact CB-CG 4.3Å; R116-E119 PolarHBondContact O-N 2.9Å; R116-M120 WeakPolarHBondContact O-CG 3.42Å; R116-M120 PolarHBondContact O-N 3.43Å
117	V	86.6	Confident	88.6	Confident	70 Å²	70	50.3 Å²	50.3	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-40.4	179.1	-169.2	0	0	0	0	111.6	E119 M120 E121	V117-E119 VanDerWaalsContact C-N 3.32Å; V117-E119 PolarHBondContact O-N 3.19Å; V117-M120 WeakPolarHBondContact O-CB 3.19Å; V117-M120 PolarHBondContact O-N 3.12Å; V117-E121 WeakPolarHBondContact O-CG 3.48Å; V117-E121 PolarHBondContact O-N 2.95Å; V117-E121 VanDerWaalsContact O-N 3.15Å
118	E	85	Confident	88.7	Confident	157 Å²	157	51 Å²	51	73%	0.734	26%	0.258	S	S	*	.	H	α-helix	trans	-56.9	-40.6	177.1	-61.8	175.1	168.3	0	0	112.8	R116 M120 E121	R116-E118 PolarHBondContact O-N 3.5Å; E118-M120 VanDerWaalsContact C-N 3.34Å; E118-E121 PolarHBondContact O-N 3.35Å
119	E	84.8	Confident	88.9	Confident	30 Å²	30	50 Å²	50	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-76.6	-24.2	178.6	-58	-165	162.7	0	0	112	I92 S93 R116 V117 E121	I92-E119 HydrophobicContact CB-CB 4.17Å; I92-E119 WeakPolarHBondContact CB-OE2 3.44Å; I92-E119 HydrophobicContact CG2-CB 4.42Å; I92-E119 PolarHBondContact N-OE2 2.82Å; S93-E119 WeakPolarHBondContact CB-OE1 3.29Å; S93-E119 PolarHBondContact N-OE2 2.81Å; S93-E119 PolarHBondContact OG-OE1 2.75Å; R116-E119 HydrophobicContact CB-CG 4.3Å; R116-E119 PolarHBondContact O-N 2.9Å; V117-E119 VanDerWaalsContact C-N 3.32Å; V117-E119 PolarHBondContact O-N 3.19Å; E119-E121 VanDerWaalsContact C-N 3.35Å
120	M	88.9	Confident	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-75.4	-21.2	173.8	-62.3	-72.7	129.4	0	0	112.6	I92 L115 R116 V117 E118 G122 L123 V143 F144 T146 L147	I92-M120 HydrophobicContact CD1-CE 3.34Å; L115-M120 HydrophobicContact CB-CE 4.25Å; L115-M120 HydrophobicContact CD1-CE 4.24Å; L115-M120 HydrophobicContact CD2-CE 4.01Å; L115-M120 HydrophobicContact CG-CE 4.4Å; R116-M120 WeakPolarHBondContact O-CG 3.42Å; R116-M120 PolarHBondContact O-N 3.43Å; V117-M120 WeakPolarHBondContact O-CB 3.19Å; V117-M120 PolarHBondContact O-N 3.12Å; E118-M120 VanDerWaalsContact C-N 3.34Å; M120-G122 VanDerWaalsContact C-N 3.33Å; M120-G122 PolarHBondContact O-N 3.15Å; M120-L123 HydrophobicContact CE-CD1 3.87Å; M120-L123 PolarHBondContact O-N 2.75Å; M120-L123 VanDerWaalsContact O-N 3.15Å; M120-L123 HydrophobicContact SD-CD1 3.87Å; M120-V143 WeakPolarHBondContact CB-O 3.48Å; M120-V143 HydrophobicContact CG-CG2 4.11Å; M120-V143 VanDerWaalsContact CG-O 3.29Å; M120-V143 WeakPolarHBondContact CG-O 3.35Å; M120-F144 HydrophobicContact SD-CD1 3.96Å; M120-F144 HydrophobicContact SD-CE1 4.12Å; M120-T146 VanDerWaalsContact C-OG1 3.27Å; M120-T146 PolarHBondContact O-OG1 3.01Å; M120-L147 WeakPolarHBondContact O-CD2 2.97Å; M120-L147 HydrophobicContact SD-CD1 4.06Å
121	E	85.3	Confident	89.6	Confident	125 Å²	125	51 Å²	51	58%	0.584	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-40.6	175.6	-56.8	-140.1	130.1	0	0	112.1	V117 E118 E119 L123 R124 T146	V117-E121 WeakPolarHBondContact O-CG 3.48Å; V117-E121 PolarHBondContact O-N 2.95Å; V117-E121 VanDerWaalsContact O-N 3.15Å; E118-E121 PolarHBondContact O-N 3.35Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.03Å; E121-R124 PolarHBondContact O-N 3.42Å; E121-T146 HydrophobicContact CB-CG2 4.35Å; E121-T146 HydrophobicContact CG-CG2 3.97Å
122	G	83.3	Confident	89.9	Confident	53 Å²	53	48.9 Å²	48.9	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.6	175.2	0	0	0	0	0	113.9	M120 R124	M120-G122 VanDerWaalsContact C-N 3.33Å; M120-G122 PolarHBondContact O-N 3.15Å; G122-R124 PolarHBondContact O-N 2.91Å
123	L	89	Confident	89.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.3	-176.9	-72.4	179.4	0	0	0	115	I92 I97 F103 L105 M120 E121 G125 A126 L129 L147	I92-L123 HydrophobicContact CD1-CD1 4.31Å; I92-L123 HydrophobicContact CG2-CD1 4Å; I92-L123 HydrophobicContact CG2-CD2 4.43Å; I92-L123 HydrophobicContact CG2-CG 4.21Å; I97-L123 HydrophobicContact CD1-CD2 3.35Å; I97-L123 HydrophobicContact CD1-CG 4.46Å; F103-L123 HydrophobicContact CE2-CD2 4Å; F103-L123 HydrophobicContact CZ-CD2 3.93Å; L105-L123 HydrophobicContact CD2-CD2 3.42Å; L105-L123 VanDerWaalsContact CD2-CD2 3.42Å; M120-L123 HydrophobicContact CE-CD1 3.87Å; M120-L123 PolarHBondContact O-N 2.75Å; M120-L123 VanDerWaalsContact O-N 3.15Å; M120-L123 HydrophobicContact SD-CD1 3.87Å; E121-L123 PolarHBondContact O-N 3.03Å; L123-G125 PolarHBondContact O-N 3.22Å; L123-A126 WeakPolarHBondContact O-CB 3.37Å; L123-A126 PolarHBondContact O-N 2.88Å; L123-L129 HydrophobicContact CD1-CD1 4.31Å; L123-L129 HydrophobicContact CD1-CD2 4.26Å; L123-L147 HydrophobicContact CB-CD2 3.47Å; L123-L147 VanDerWaalsContact CB-CD2 3.47Å
124	R	88.6	Confident	89.8	Confident	182 Å²	182	46.1 Å²	46.1	69%	0.687	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.3	-175.9	-172.3	174	-177.4	-149.1	0.7	116.1	E121 G122 S149	E121-R124 PolarHBondContact O-N 3.42Å; G122-R124 PolarHBondContact O-N 2.91Å; R124-S149 WeakPolarHBondContact O-CB 3.42Å; R124-S149 PolarHBondContact O-OG 3.25Å
125	G	88.1	Confident	89.8	Confident	18 Å²	18	42 Å²	42	19%	0.186	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.7	175.8	0	0	0	0	0	115.4	S102 F103 L123 L127	S102-G125 WeakPolarHBondContact CA-O 3.21Å; F103-G125 VanDerWaalsContact CE1-C 3.48Å; F103-G125 PolarHBondContact N-O 2.96Å; F103-G125 VanDerWaalsContact N-O 3.07Å; L123-G125 PolarHBondContact O-N 3.22Å; G125-L127 PolarHBondContact O-N 2.97Å
126	A	93.1	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129	-175.5	0	0	0	0	0	112.3	F103 L123 S149 L150	F103-A126 HydrophobicContact CD2-CB 4.26Å; F103-A126 HydrophobicContact CE2-CB 3.63Å; F103-A126 HydrophobicContact CZ-CB 3.86Å; F103-A126 CarbonylContact O-C 3.59Å; F103-A126 WeakPolarHBondContact O-CA 3.41Å; L123-A126 WeakPolarHBondContact O-CB 3.37Å; L123-A126 PolarHBondContact O-N 2.88Å; A126-S149 CarbonylContact O-C 3.6Å; A126-S149 VanDerWaalsContact O-C 3.29Å; A126-S149 WeakPolarHBondContact O-CB 3.46Å; A126-L150 HydrophobicContact CB-CD1 3.68Å; A126-L150 VanDerWaalsContact O-CA 3.23Å; A126-L150 WeakPolarHBondContact O-CA 3.22Å; A126-L150 PolarHBondContact O-N 2.82Å
127	L	94.4	Very high	89.9	Confident	34 Å²	34	39.8 Å²	39.8	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-26.2	167.6	-59.6	-177.2	0	0	0	111.7	V79 F103 G125 K151 K152	V79-L127 HydrophobicContact CG1-CD1 3.99Å; V79-L127 HydrophobicContact CG2-CD1 4.32Å; F103-L127 PolarHBondContact O-N 3.22Å; G125-L127 PolarHBondContact O-N 2.97Å; L127-K151 WeakPolarHBondContact O-CA 3.49Å; L127-K151 WeakPolarHBondContact O-CB 3.45Å; L127-K151 PolarHBondContact O-N 3.38Å; L127-K152 PolarHBondContact O-N 2.8Å
128	S	95.9	Very high	90.1	Very high	15 Å²	15	41 Å²	41	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.2	174	-172.3	0	0	0	0	110.2	H104 L105 K152	H104-S128 WeakPolarHBondContact ND1-CB 3.2Å; L105-S128 PolarHBondContact N-O 3.1Å; S128-K152 WeakPolarHBondContact CA-O 3.42Å
129	L	96.1	Very high	90.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.7	176.8	-179.9	62.6	0	0	0	108.5	L105 L107 L123 I131 L147 L150 K152 L153 H154	L105-L129 HydrophobicContact CB-CD1 4.33Å; L105-L129 HydrophobicContact CD2-CD1 3.99Å; L105-L129 HydrophobicContact CG-CD1 4.22Å; L107-L129 HydrophobicContact CD1-CD1 4.36Å; L123-L129 HydrophobicContact CD1-CD1 4.31Å; L123-L129 HydrophobicContact CD1-CD2 4.26Å; L129-I131 HydrophobicContact CD1-CG2 3.91Å; L129-I131 HydrophobicContact CD2-CG2 4.46Å; L129-I131 HydrophobicContact CG-CG2 4.03Å; L129-L147 HydrophobicContact CD2-CD1 4.01Å; L129-L150 HydrophobicContact CB-CD1 3.81Å; L129-L150 HydrophobicContact CB-CD2 4.22Å; L129-K152 PolarHBondContact N-O 2.77Å; L129-L153 HydrophobicContact CB-CD1 4.19Å; L129-L153 HydrophobicContact CD2-CD1 4.15Å; L129-L153 HydrophobicContact CG-CD1 4.26Å; L129-L153 WeakPolarHBondContact O-CA 3.44Å; L129-H154 PolarHBondContact O-N 3.27Å
130	H	96.2	Very high	90.8	Very high	36 Å²	36	37.2 Å²	37.2	17%	0.167	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	108.5	174.8	-177.7	-162.3	0	0	0	109.2	L105 N106 L107 Y108 G132 H154	L105-H130 PolarHBondContact O-N 2.98Å; N106-H130 PolarHBondContact OD1-ND1 3.15Å; L107-H130 CarbonylContact C-O 3.13Å; L107-H130 VanDerWaalsContact CA-O 3.24Å; L107-H130 WeakPolarHBondContact CA-O 3.49Å; L107-H130 WeakPolarHBondContact CB-O 3.4Å; L107-H130 PolarHBondContact N-O 3.46Å; Y108-H130 AromaticContact CD2-CE1 3.28Å; Y108-H130 WeakPolarHBondContact CD2-CE1 3.4Å; Y108-H130 AromaticContact CD2-NE2 3.19Å; Y108-H130 WeakPolarHBondContact CD2-NE2 3.44Å; Y108-H130 AromaticContact CE2-NE2 3.79Å; Y108-H130 AromaticContact CG-CE1 3.37Å; Y108-H130 AromaticContact CG-NE2 3.78Å; Y108-H130 PolarHBondContact N-O 3.27Å; H130-G132 PolarHBondContact CD2-N 3.46Å; H130-H154 HydrophobicContact CB-CB 4.13Å; H130-H154 WeakPolarHBondContact CD2-CB 3.22Å
131	I	95	Very high	90.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.			trans	-120.8	29.3	179.9	50.2	166.6	0	0	0	110.1	L107 L112 L115 L129 N134 I136 F144 L153 H154 I155 N158	L107-I131 HydrophobicContact CB-CG2 4.07Å; L107-I131 HydrophobicContact CD1-CG2 4.18Å; L112-I131 HydrophobicContact CD1-CG2 4.13Å; L115-I131 HydrophobicContact CD1-CD1 3.56Å; L129-I131 HydrophobicContact CD1-CG2 3.91Å; L129-I131 HydrophobicContact CD2-CG2 4.46Å; L129-I131 HydrophobicContact CG-CG2 4.03Å; I131-N134 PolarHBondContact O-ND2 2.8Å; I131-I136 HydrophobicContact CB-CD1 4.34Å; I131-I136 HydrophobicContact CD1-CD1 4.01Å; I131-F144 HydrophobicContact CD1-CE1 4.46Å; I131-F144 HydrophobicContact CD1-CZ 4.35Å; I131-L153 HydrophobicContact CD1-CD1 4.47Å; I131-L153 HydrophobicContact CG1-CD1 4.43Å; I131-H154 CarbonylContact C-O 3.41Å; I131-H154 WeakPolarHBondContact CG1-O 3.3Å; I131-H154 PolarHBondContact N-O 2.97Å; I131-I155 HydrophobicContact CD1-CG2 3.89Å; I131-I155 HydrophobicContact CG1-CG2 3.95Å; I131-N158 PolarHBondContact O-ND2 3.23Å
132	G	91.7	Very high	91.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.			trans	-75.5	164.2	177.4	0	0	0	0	0	112.1	Y108 K109 H130 N134 H154 N156	Y108-G132 WeakPolarHBondContact CA-O 3.44Å; Y108-G132 VanDerWaalsContact CD2-C 3.42Å; Y108-G132 WeakPolarHBondContact CD2-O 3.32Å; K109-G132 PolarHBondContact N-O 3.15Å; H130-G132 PolarHBondContact CD2-N 3.46Å; G132-N134 PolarHBondContact O-N 3.06Å; G132-N134 VanDerWaalsContact O-N 3.17Å; G132-N134 PolarHBondContact O-ND2 3.35Å; G132-H154 PolarHBondContact N-O 3.07Å; G132-N156 CarbonylContact C-O 3.45Å; G132-N156 WeakPolarHBondContact CA-O 3.33Å
133	G	85.8	Confident	91.6	Very high	14 Å²	14	32.1 Å²	32.1	14%	0.144	16%	0.163	C	C	.	.	S	Bend	trans	62	25	177	0	0	0	0	0	113.8	K109 N156 S157	K109-G133 WeakPolarHBondContact CA-O 3.11Å; G133-N156 PolarHBondContact N-O 3.01Å; G133-S157 WeakPolarHBondContact CA-O 3.43Å; G133-S157 PolarHBondContact N-O 3.08Å
134	N	90	Very high	91.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-103.8	-173.6	177.4	-81.4	-106.3	0	0	0	109.5	L107 N110 L112 I131 G132 I136 N158	L107-N134 PolarHBondContact O-ND2 3.44Å; N110-N134 WeakPolarHBondContact CA-OD1 3.46Å; N110-N134 WeakPolarHBondContact CB-OD1 3.32Å; N110-N134 WeakPolarHBondContact O-CA 3.24Å; N110-N134 VanDerWaalsContact O-CG 3.29Å; N110-N134 PolarHBondContact O-OD1 3.37Å; L112-N134 HydrophobicContact CB-CB 4.2Å; L112-N134 WeakPolarHBondContact CB-OD1 3.28Å; L112-N134 WeakPolarHBondContact CD1-OD1 3.21Å; L112-N134 WeakPolarHBondContact CG-OD1 3.39Å; L112-N134 PolarHBondContact N-OD1 3.15Å; L112-N134 VanDerWaalsContact N-OD1 3.13Å; I131-N134 PolarHBondContact O-ND2 2.8Å; G132-N134 PolarHBondContact O-N 3.06Å; G132-N134 VanDerWaalsContact O-N 3.17Å; G132-N134 PolarHBondContact O-ND2 3.35Å; N134-I136 HydrophobicContact CB-CD1 4.28Å; N134-I136 HydrophobicContact CB-CG1 4.08Å; N134-N158 WeakPolarHBondContact CA-OD1 3.1Å; N134-N158 VanDerWaalsContact CB-OD1 3.3Å; N134-N158 WeakPolarHBondContact CB-OD1 3.19Å; N134-N158 PolarHBondContact N-OD1 3.25Å; N134-N158 PolarHBondContact O-OD1 3.41Å; N134-N158 VanDerWaalsContact O-OD1 3.09Å
135	S	89.1	Confident	92	Very high	20 Å²	20	27 Å²	27	14%	0.14	15%	0.149	C	C	.	.			trans	-101.2	23.9	-177.1	-60.6	0	0	0	0	112.9	L112 Q137 S348	L112-S135 CarbonylContact O-C 3.41Å; L112-S135 VanDerWaalsContact O-C 3.26Å; L112-S135 VanDerWaalsContact O-CA 3.3Å; L112-S135 WeakPolarHBondContact O-CA 3.34Å; L112-S135 WeakPolarHBondContact O-CB 3.28Å; L112-S135 PolarHBondContact O-N 2.73Å; S135-Q137 PolarHBondContact O-N 3.04Å; S135-S348 WeakPolarHBondContact OG-CB 3.4Å; S135-S348 PolarHBondContact OG-OG 2.98Å
136	I	92.2	Very high	91.9	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.149	C	C	.	.			trans	-73.7	119.8	-170.4	-53.1	172.1	0	0	0	110.2	L112 V113 L115 I131 N134 E138 L139 N158 F159 L160	L112-I136 HydrophobicContact CB-CD1 4.46Å; L112-I136 HydrophobicContact CB-CG1 4.27Å; L112-I136 WeakPolarHBondContact O-CG1 3.45Å; L112-I136 PolarHBondContact O-N 3.36Å; V113-I136 WeakPolarHBondContact O-CA 3.42Å; L115-I136 HydrophobicContact CD1-CD1 4.33Å; L115-I136 HydrophobicContact CD2-CD1 4.01Å; L115-I136 HydrophobicContact CG-CD1 4.13Å; I131-I136 HydrophobicContact CB-CD1 4.34Å; I131-I136 HydrophobicContact CD1-CD1 4.01Å; N134-I136 HydrophobicContact CB-CD1 4.28Å; N134-I136 HydrophobicContact CB-CG1 4.08Å; I136-E138 WeakPolarHBondContact CG2-O 3.23Å; I136-L139 HydrophobicContact CG2-CD2 3.96Å; I136-L139 HydrophobicContact CG2-CG 4.49Å; I136-N158 HydrophobicContact CB-CB 4.32Å; I136-N158 WeakPolarHBondContact CB-OD1 3.49Å; I136-N158 WeakPolarHBondContact CG1-OD1 3.29Å; I136-N158 PolarHBondContact N-OD1 2.82Å; I136-N158 VanDerWaalsContact N-OD1 3.14Å; I136-F159 CarbonylContact O-C 3.53Å; I136-F159 WeakPolarHBondContact O-CA 3.4Å; I136-F159 PolarHBondContact O-N 3.17Å; I136-L160 HydrophobicContact CG2-CD2 4.06Å
137	Q	88.9	Confident	91.9	Very high	79 Å²	79	27.7 Å²	27.7	37%	0.369	15%	0.149	S	C	.	.			trans	-93.2	-32.4	-176.9	-68.8	158.6	46.8	0	0	112.8	S135 F159 H350	S135-Q137 PolarHBondContact O-N 3.04Å; Q137-F159 HydrophobicContact CG-CB 4.09Å; Q137-H350 PolarHBondContact OE1-CE1 3.37Å; Q137-H350 PolarHBondContact OE1-ND1 3.02Å; Q137-H350 VanDerWaalsContact OE1-ND1 3.11Å
138	E	90.6	Very high	91.8	Very high	94 Å²	94	27 Å²	27	44%	0.439	15%	0.151	S	C	.	.			trans	-148.8	155	-175.7	-173.9	156.9	-148.8	0	0	111.3	I136 K164	I136-E138 WeakPolarHBondContact CG2-O 3.23Å; E138-K164 WeakPolarHBondContact OE1-CE 3.46Å; E138-K164 IonicContact OE1-NZ 2.65Å; E138-K164 PolarHBondContact OE1-NZ 3.22Å
139	L	93.4	Very high	91.6	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	16%	0.161	C	C	.	.			trans	-126.4	106	176.3	-67.1	174.1	0	0	0	109.6	L115 I136 F144 I155 L160 T167	L115-L139 HydrophobicContact CD1-CD2 3.51Å; L115-L139 HydrophobicContact CG-CD2 4.18Å; I136-L139 HydrophobicContact CG2-CD2 3.96Å; I136-L139 HydrophobicContact CG2-CG 4.49Å; L139-F144 HydrophobicContact CD1-CE2 4.31Å; L139-F144 HydrophobicContact CD1-CZ 4.46Å; L139-F144 HydrophobicContact CD2-CE2 4.48Å; L139-F144 HydrophobicContact CD2-CZ 4.07Å; L139-I155 HydrophobicContact CD1-CD1 3.85Å; L139-L160 HydrophobicContact CD1-CD1 3.76Å; L139-L160 HydrophobicContact CD1-CD2 4.27Å; L139-L160 HydrophobicContact CG-CD1 4.31Å; L139-L160 HydrophobicContact CG-CD2 3.89Å; L139-T167 HydrophobicContact CB-CG2 3.53Å; L139-T167 HydrophobicContact CD1-CG2 4.18Å; L139-T167 PolarHBondContact O-OG1 2.86Å
140	E	91.6	Very high	91.7	Very high	101 Å²	101	28.4 Å²	28.4	47%	0.472	16%	0.161	S	C	.	.			trans	-63.7	147.6	-175.6	-70.7	-70.4	-159.8	0	0	113.3	G142 V143 K164	E140-G142 PolarHBondContact O-N 3.35Å; E140-V143 WeakPolarHBondContact O-CB 3.41Å; E140-V143 WeakPolarHBondContact O-CG1 3.22Å; E140-V143 PolarHBondContact O-N 3.35Å; E140-V143 VanDerWaalsContact O-N 3.1Å; E140-K164 IonicContact OE2-NZ 2.97Å; E140-K164 PolarHBondContact OE2-NZ 2.96Å
141	P	91.8	Very high	91.7	Very high	68 Å²	68	31 Å²	31	44%	0.442	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	127.9	175.2	-28.7	37.3	0	0	0	112.1	V143 K164	P141-V143 VanDerWaalsContact C-N 3.29Å; P141-V143 PolarHBondContact O-N 3.25Å; P141-K164 HydrophobicContact CG-CB 4.34Å; P141-K164 HydrophobicContact CG-CD 3.96Å
142	G	88.5	Confident	91.8	Very high	3 Å²	3	35.8 Å²	35.8	3%	0.031	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	11.4	178.9	0	0	0	0	0	115.9	E140 F144 N145 D166	E140-G142 PolarHBondContact O-N 3.35Å; G142-F144 PolarHBondContact O-N 3.21Å; G142-F144 VanDerWaalsContact O-N 3.13Å; G142-N145 VanDerWaalsContact CA-ND2 3.31Å; G142-N145 WeakPolarHBondContact CA-ND2 3.45Å; G142-N145 WeakPolarHBondContact O-CB 3.46Å; G142-N145 PolarHBondContact O-N 2.97Å; G142-N145 PolarHBondContact O-ND2 3.17Å; G142-D166 WeakPolarHBondContact CA-O 3.36Å; G142-D166 PolarHBondContact N-O 3.49Å
143	V	93.3	Very high	92.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.8	179.1	67.8	0	0	0	0	112.8	L115 M120 E140 P141	L115-V143 HydrophobicContact CB-CG2 3.76Å; L115-V143 WeakPolarHBondContact O-CG2 3.14Å; M120-V143 WeakPolarHBondContact CB-O 3.48Å; M120-V143 HydrophobicContact CG-CG2 4.11Å; M120-V143 VanDerWaalsContact CG-O 3.29Å; M120-V143 WeakPolarHBondContact CG-O 3.35Å; E140-V143 WeakPolarHBondContact O-CB 3.41Å; E140-V143 WeakPolarHBondContact O-CG1 3.22Å; E140-V143 PolarHBondContact O-N 3.35Å; E140-V143 VanDerWaalsContact O-N 3.1Å; P141-V143 VanDerWaalsContact C-N 3.29Å; P141-V143 PolarHBondContact O-N 3.25Å
144	F	94.3	Very high	92.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	14	178.2	-54.2	-59.1	0	0	0	114.8	L115 M120 I131 L139 G142 T146 L147 L153 T167 F168 Q169 L171	L115-F144 HydrophobicContact CD1-CE1 3.8Å; L115-F144 HydrophobicContact CD1-CZ 3.87Å; M120-F144 HydrophobicContact SD-CD1 3.96Å; M120-F144 HydrophobicContact SD-CE1 4.12Å; I131-F144 HydrophobicContact CD1-CE1 4.46Å; I131-F144 HydrophobicContact CD1-CZ 4.35Å; L139-F144 HydrophobicContact CD1-CE2 4.31Å; L139-F144 HydrophobicContact CD1-CZ 4.46Å; L139-F144 HydrophobicContact CD2-CE2 4.48Å; L139-F144 HydrophobicContact CD2-CZ 4.07Å; G142-F144 PolarHBondContact O-N 3.21Å; G142-F144 VanDerWaalsContact O-N 3.13Å; F144-T146 PolarHBondContact O-N 2.77Å; F144-L147 HydrophobicContact CB-CD1 4.19Å; F144-L147 HydrophobicContact CB-CG 4.35Å; F144-L147 HydrophobicContact CD1-CD1 3.66Å; F144-L147 HydrophobicContact CG-CD1 4.35Å; F144-L147 WeakPolarHBondContact O-CB 3.44Å; F144-L147 PolarHBondContact O-N 2.69Å; F144-L153 HydrophobicContact CD2-CD2 4.21Å; F144-L153 HydrophobicContact CE2-CD2 3.91Å; F144-L153 HydrophobicContact CZ-CD2 4.09Å; F144-T167 WeakPolarHBondContact CD2-O 3.32Å; F144-F168 AromaticContact CD2-CD1 3.97Å; F144-F168 HydrophobicContact CD2-CD1 3.97Å; F144-F168 HydrophobicContact CD2-CE1 4.43Å; F144-F168 AromaticContact CE2-CD1 3.98Å; F144-F168 HydrophobicContact CE2-CD1 3.98Å; F144-F168 AromaticContact CE2-CE1 3.97Å; F144-F168 HydrophobicContact CE2-CE1 3.97Å; F144-Q169 CarbonylContact C-O 3.59Å; F144-Q169 VanDerWaalsContact C-O 3.3Å; F144-L171 HydrophobicContact CB-CD1 3.75Å; F144-L171 HydrophobicContact CB-CD2 3.94Å; F144-L171 HydrophobicContact CB-CG 3.7Å; F144-L171 HydrophobicContact CD2-CD1 3.85Å; F144-L171 HydrophobicContact CG-CD1 3.97Å; F144-L171 HydrophobicContact CG-CG 4.44Å
145	N	91.2	Very high	92.9	Very high	74 Å²	74	36.7 Å²	36.7	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-32.9	-171.5	-95	-34.6	0	0	0	115	G142 Q169	G142-N145 VanDerWaalsContact CA-ND2 3.31Å; G142-N145 WeakPolarHBondContact CA-ND2 3.45Å; G142-N145 WeakPolarHBondContact O-CB 3.46Å; G142-N145 PolarHBondContact O-N 2.97Å; G142-N145 PolarHBondContact O-ND2 3.17Å; N145-Q169 PolarHBondContact N-O 2.84Å; N145-Q169 WeakPolarHBondContact OD1-CB 3.07Å; N145-Q169 WeakPolarHBondContact OD1-CG 3.32Å
146	T	87.8	Confident	93.1	Very high	32 Å²	32	36.1 Å²	36.1	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.3	-179.3	52.4	0	0	0	0	114	M120 E121 F144 G148	M120-T146 VanDerWaalsContact C-OG1 3.27Å; M120-T146 PolarHBondContact O-OG1 3.01Å; E121-T146 HydrophobicContact CB-CG2 4.35Å; E121-T146 HydrophobicContact CG-CG2 3.97Å; F144-T146 PolarHBondContact O-N 2.77Å; T146-G148 PolarHBondContact O-N 2.91Å
147	L	92.8	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.			trans	-83.2	38.1	-168.6	-53.2	-166.9	0	0	0	113.2	M120 L123 L129 F144 S149 L150 L171	M120-L147 WeakPolarHBondContact O-CD2 2.97Å; M120-L147 HydrophobicContact SD-CD1 4.06Å; L123-L147 HydrophobicContact CB-CD2 3.47Å; L123-L147 VanDerWaalsContact CB-CD2 3.47Å; L129-L147 HydrophobicContact CD2-CD1 4.01Å; F144-L147 HydrophobicContact CB-CD1 4.19Å; F144-L147 HydrophobicContact CB-CG 4.35Å; F144-L147 HydrophobicContact CD1-CD1 3.66Å; F144-L147 HydrophobicContact CG-CD1 4.35Å; F144-L147 WeakPolarHBondContact O-CB 3.44Å; F144-L147 PolarHBondContact O-N 2.69Å; L147-S149 PolarHBondContact O-N 3.03Å; L147-L150 HydrophobicContact CB-CB 4.2Å; L147-L150 HydrophobicContact CD1-CD2 4.23Å; L147-L150 VanDerWaalsContact O-CB 3.22Å; L147-L150 WeakPolarHBondContact O-CB 3.37Å; L147-L150 PolarHBondContact O-N 2.91Å; L147-L171 HydrophobicContact CB-CD2 3.68Å
148	G	91	Very high	93.2	Very high	21 Å²	21	32.3 Å²	32.3	22%	0.216	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.8	-176.9	0	0	0	0	0	115.3	T146 G170 N173	T146-G148 PolarHBondContact O-N 2.91Å; G148-G170 WeakPolarHBondContact CA-O 3.24Å; G148-N173 WeakPolarHBondContact O-CB 3.43Å; G148-N173 PolarHBondContact O-ND2 2.97Å
149	S	93.3	Very high	93.2	Very high	44 Å²	44	28 Å²	28	31%	0.308	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.3	174.7	-52.3	0	0	0	0	113.8	R124 A126 L147	R124-S149 WeakPolarHBondContact O-CB 3.42Å; R124-S149 PolarHBondContact O-OG 3.25Å; A126-S149 CarbonylContact O-C 3.6Å; A126-S149 VanDerWaalsContact O-C 3.29Å; A126-S149 WeakPolarHBondContact O-CB 3.46Å; L147-S149 PolarHBondContact O-N 3.03Å
150	L	96.4	Very high	93.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.			trans	-71	132.9	-164.6	-162.5	75.1	0	0	0	112.3	A126 L129 L147 L153 L171 N173 L174	A126-L150 HydrophobicContact CB-CD1 3.68Å; A126-L150 VanDerWaalsContact O-CA 3.23Å; A126-L150 WeakPolarHBondContact O-CA 3.22Å; A126-L150 PolarHBondContact O-N 2.82Å; L129-L150 HydrophobicContact CB-CD1 3.81Å; L129-L150 HydrophobicContact CB-CD2 4.22Å; L147-L150 HydrophobicContact CB-CB 4.2Å; L147-L150 HydrophobicContact CD1-CD2 4.23Å; L147-L150 VanDerWaalsContact O-CB 3.22Å; L147-L150 WeakPolarHBondContact O-CB 3.37Å; L147-L150 PolarHBondContact O-N 2.91Å; L150-L153 HydrophobicContact CD2-CB 3.96Å; L150-L153 HydrophobicContact CD2-CD1 4.29Å; L150-L153 HydrophobicContact CD2-CG 4.49Å; L150-L171 HydrophobicContact CB-CD2 3.84Å; L150-L171 HydrophobicContact CD2-CD2 3.6Å; L150-L171 HydrophobicContact CG-CD2 4.33Å; L150-N173 CarbonylContact O-C 3.56Å; L150-L174 HydrophobicContact CD2-CD1 4.07Å; L150-L174 HydrophobicContact CG-CD1 4.2Å; L150-L174 VanDerWaalsContact O-CA 3.29Å; L150-L174 WeakPolarHBondContact O-CA 3.42Å; L150-L174 PolarHBondContact O-N 3.41Å
151	K	96.4	Very high	93.1	Very high	90 Å²	90	23.7 Å²	23.7	39%	0.391	13%	0.131	S	C	.	.			trans	-110.9	-28.4	178.3	-66.5	-179.3	166	-122.2	0	114	L127 E175 F176	L127-K151 WeakPolarHBondContact O-CA 3.49Å; L127-K151 WeakPolarHBondContact O-CB 3.45Å; L127-K151 PolarHBondContact O-N 3.38Å; K151-E175 HydrophobicContact CB-CG 4.45Å; K151-E175 IonicContact NZ-OE1 2.73Å; K151-E175 PolarHBondContact NZ-OE1 2.83Å; K151-E175 WeakPolarHBondContact O-CA 3.3Å; K151-E175 PolarHBondContact O-N 2.83Å; K151-F176 PolarHBondContact O-N 3.18Å
152	K	97.6	Very high	93.1	Very high	101 Å²	101	22.5 Å²	22.5	44%	0.439	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.3	176	-54.6	-165.7	176.7	-174	0	111	L127 S128 L129 F176	L127-K152 PolarHBondContact O-N 2.8Å; S128-K152 WeakPolarHBondContact CA-O 3.42Å; L129-K152 PolarHBondContact N-O 2.77Å; K152-F176 WeakPolarHBondContact CA-O 3.41Å; K152-F176 HydrophobicContact CB-CB 4.37Å; K152-F176 HydrophobicContact CB-CD1 4.45Å; K152-F176 HydrophobicContact CG-CB 4.05Å
153	L	97.8	Very high	93.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.3	174.5	179	57.3	0	0	0	109.1	L129 I131 F144 L150 I155 F168 L171 L174 F176 L177 Q178	L129-L153 HydrophobicContact CB-CD1 4.19Å; L129-L153 HydrophobicContact CD2-CD1 4.15Å; L129-L153 HydrophobicContact CG-CD1 4.26Å; L129-L153 WeakPolarHBondContact O-CA 3.44Å; I131-L153 HydrophobicContact CD1-CD1 4.47Å; I131-L153 HydrophobicContact CG1-CD1 4.43Å; F144-L153 HydrophobicContact CD2-CD2 4.21Å; F144-L153 HydrophobicContact CE2-CD2 3.91Å; F144-L153 HydrophobicContact CZ-CD2 4.09Å; L150-L153 HydrophobicContact CD2-CB 3.96Å; L150-L153 HydrophobicContact CD2-CD1 4.29Å; L150-L153 HydrophobicContact CD2-CG 4.49Å; L153-I155 HydrophobicContact CD1-CG2 3.94Å; L153-I155 HydrophobicContact CD2-CG2 4.38Å; L153-I155 HydrophobicContact CG-CG2 3.94Å; L153-F168 HydrophobicContact CD2-CD1 4.02Å; L153-F168 HydrophobicContact CD2-CE1 3.94Å; L153-L171 HydrophobicContact CD2-CD1 3.73Å; L153-L174 HydrophobicContact CB-CD1 3.68Å; L153-L174 HydrophobicContact CB-CD2 4.34Å; L153-F176 PolarHBondContact N-O 3.38Å; L153-L177 HydrophobicContact CB-CD1 4.01Å; L153-L177 HydrophobicContact CD2-CD1 4Å; L153-L177 HydrophobicContact CG-CD1 3.93Å; L153-L177 WeakPolarHBondContact O-CA 3.42Å; L153-Q178 PolarHBondContact O-N 3.49Å
154	H	97.3	Very high	93.5	Very high	31 Å²	31	24.7 Å²	24.7	14%	0.144	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.2	179.9	-56.9	-113.5	0	0	0	108.4	L129 H130 I131 G132 F176 Q178	L129-H154 PolarHBondContact O-N 3.27Å; H130-H154 HydrophobicContact CB-CB 4.13Å; H130-H154 WeakPolarHBondContact CD2-CB 3.22Å; I131-H154 CarbonylContact C-O 3.41Å; I131-H154 WeakPolarHBondContact CG1-O 3.3Å; I131-H154 PolarHBondContact N-O 2.97Å; G132-H154 PolarHBondContact N-O 3.07Å; H154-F176 AromaticContact CE1-CD1 3.88Å; H154-F176 AromaticContact CE1-CE1 3.24Å; H154-F176 WeakPolarHBondContact CE1-CE1 3.19Å; H154-F176 AromaticContact CE1-CZ 3.99Å; H154-F176 AromaticContact ND1-CE1 3.58Å; H154-F176 AromaticContact NE2-CD1 3.97Å; H154-F176 AromaticContact NE2-CE1 3.8Å; H154-Q178 PolarHBondContact ND1-OE1 2.68Å
155	I	96.1	Very high	93.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.152	C	C	.	.			trans	-120.5	12.9	-178.9	66.9	179.6	0	0	0	112	I131 L139 L153 N158 L160 F168 L177 Q178 A179 N182	I131-I155 HydrophobicContact CD1-CG2 3.89Å; I131-I155 HydrophobicContact CG1-CG2 3.95Å; L139-I155 HydrophobicContact CD1-CD1 3.85Å; L153-I155 HydrophobicContact CD1-CG2 3.94Å; L153-I155 HydrophobicContact CD2-CG2 4.38Å; L153-I155 HydrophobicContact CG-CG2 3.94Å; I155-N158 PolarHBondContact O-ND2 2.92Å; I155-L160 HydrophobicContact CB-CD1 4.43Å; I155-L160 HydrophobicContact CD1-CD1 3.76Å; I155-L160 HydrophobicContact CG1-CD1 4.22Å; I155-F168 HydrophobicContact CD1-CE1 4.08Å; I155-F168 HydrophobicContact CD1-CZ 3.8Å; I155-L177 HydrophobicContact CD1-CD1 4.42Å; I155-Q178 WeakPolarHBondContact CG1-O 3.03Å; I155-Q178 PolarHBondContact N-O 3.3Å; I155-A179 HydrophobicContact CD1-CB 3.81Å; I155-A179 HydrophobicContact CG1-CB 3.56Å; I155-N182 PolarHBondContact O-ND2 3.39Å
156	N	93.8	Very high	93.4	Very high	9 Å²	9	27 Å²	27	5%	0.048	14%	0.141	C	C	.	.			trans	-58.6	159.4	179.1	57.8	-78	0	0	0	113.6	G132 G133 N158 Q178 D180 N182	G132-N156 CarbonylContact C-O 3.45Å; G132-N156 WeakPolarHBondContact CA-O 3.33Å; G133-N156 PolarHBondContact N-O 3.01Å; N156-N158 VanDerWaalsContact C-N 3.26Å; N156-N158 PolarHBondContact O-N 3.04Å; N156-N158 PolarHBondContact O-ND2 2.78Å; N156-Q178 HydrophobicContact CB-CG 4.14Å; N156-Q178 PolarHBondContact N-O 3Å; N156-D180 WeakPolarHBondContact CA-O 3.41Å; N156-D180 WeakPolarHBondContact CB-O 3.47Å; N156-D180 WeakPolarHBondContact CB-OD1 3.3Å; N156-N182 WeakPolarHBondContact CA-ND2 3.44Å
157	S	89.5	Confident	93.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.132	C	C	.	.	S	Bend	trans	57.1	37.2	175.6	-50.3	0	0	0	0	113.7	G133 D180 T181 N182 Q362	G133-S157 WeakPolarHBondContact CA-O 3.43Å; G133-S157 PolarHBondContact N-O 3.08Å; S157-D180 PolarHBondContact N-O 3.04Å; S157-D180 VanDerWaalsContact N-O 3.09Å; S157-T181 VanDerWaalsContact CA-O 3.24Å; S157-T181 WeakPolarHBondContact CA-O 3.49Å; S157-T181 PolarHBondContact N-O 2.74Å; S157-N182 PolarHBondContact N-ND2 3.3Å; S157-Q362 VanDerWaalsContact CB-OE1 3.26Å; S157-Q362 PolarHBondContact OG-NE2 2.9Å; S157-Q362 PolarHBondContact OG-OE1 3.31Å
158	N	92.3	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-113.8	-175.5	172.2	-81.3	-74.9	0	0	0	109.8	I131 N134 I136 I155 N156 L160 N182	I131-N158 PolarHBondContact O-ND2 3.23Å; N134-N158 WeakPolarHBondContact CA-OD1 3.1Å; N134-N158 VanDerWaalsContact CB-OD1 3.3Å; N134-N158 WeakPolarHBondContact CB-OD1 3.19Å; N134-N158 PolarHBondContact N-OD1 3.25Å; N134-N158 PolarHBondContact O-OD1 3.41Å; N134-N158 VanDerWaalsContact O-OD1 3.09Å; I136-N158 HydrophobicContact CB-CB 4.32Å; I136-N158 WeakPolarHBondContact CB-OD1 3.49Å; I136-N158 WeakPolarHBondContact CG1-OD1 3.29Å; I136-N158 PolarHBondContact N-OD1 2.82Å; I136-N158 VanDerWaalsContact N-OD1 3.14Å; I155-N158 PolarHBondContact O-ND2 2.92Å; N156-N158 VanDerWaalsContact C-N 3.26Å; N156-N158 PolarHBondContact O-N 3.04Å; N156-N158 PolarHBondContact O-ND2 2.78Å; N158-L160 HydrophobicContact CB-CG 4.22Å; N158-N182 WeakPolarHBondContact CA-OD1 3.29Å; N158-N182 VanDerWaalsContact CB-OD1 3.27Å; N158-N182 WeakPolarHBondContact CB-OD1 3.15Å; N158-N182 PolarHBondContact N-OD1 3.27Å; N158-N182 PolarHBondContact O-OD1 3.14Å; N158-N182 VanDerWaalsContact O-OD1 3.05Å
159	F	90.5	Very high	93.8	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.013	14%	0.138	C	C	.	.			trans	-99	19.9	-174.9	-66.6	-96.4	0	0	0	113.5	I136 Q137 V161 F183 S348 H350 L358 H360	I136-F159 CarbonylContact O-C 3.53Å; I136-F159 WeakPolarHBondContact O-CA 3.4Å; I136-F159 PolarHBondContact O-N 3.17Å; Q137-F159 HydrophobicContact CG-CB 4.09Å; F159-V161 PolarHBondContact O-N 3.37Å; F159-F183 HydrophobicContact CD1-CD2 4.4Å; F159-F183 AromaticContact CD1-CE2 3.74Å; F159-F183 HydrophobicContact CD1-CE2 3.74Å; F159-F183 HydrophobicContact CE1-CE2 4.25Å; F159-F183 HydrophobicContact CG-CE2 4.37Å; F159-S348 WeakPolarHBondContact CZ-O 3.12Å; F159-H350 HydrophobicContact CD1-CB 3.55Å; F159-H350 HydrophobicContact CE1-CB 3.88Å; F159-H350 HydrophobicContact CG-CB 4.18Å; F159-L358 HydrophobicContact CD1-CB 4.13Å; F159-L358 HydrophobicContact CE1-CB 4.12Å; F159-H360 AromaticContact CE1-CD2 3.69Å; F159-H360 HydrophobicContact CE2-CB 4.15Å; F159-H360 HydrophobicContact CZ-CB 3.76Å; F159-H360 AromaticContact CZ-CD2 3.6Å; F159-H360 AromaticContact CZ-CG 3.88Å
160	L	93.1	Very high	93.7	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.131	C	C	.	.			trans	-66.6	125.3	-172.5	-54.7	175.8	0	0	0	111.7	I136 L139 I155 N158 L163 N182 F183 I184	I136-L160 HydrophobicContact CG2-CD2 4.06Å; L139-L160 HydrophobicContact CD1-CD1 3.76Å; L139-L160 HydrophobicContact CD1-CD2 4.27Å; L139-L160 HydrophobicContact CG-CD1 4.31Å; L139-L160 HydrophobicContact CG-CD2 3.89Å; I155-L160 HydrophobicContact CB-CD1 4.43Å; I155-L160 HydrophobicContact CD1-CD1 3.76Å; I155-L160 HydrophobicContact CG1-CD1 4.22Å; N158-L160 HydrophobicContact CB-CG 4.22Å; L160-L163 HydrophobicContact CD1-CD2 4.4Å; L160-N182 HydrophobicContact CB-CB 4.4Å; L160-N182 VanDerWaalsContact CB-OD1 3.28Å; L160-N182 WeakPolarHBondContact CB-OD1 3.4Å; L160-N182 VanDerWaalsContact CG-OD1 3.24Å; L160-N182 WeakPolarHBondContact CG-OD1 3.22Å; L160-N182 PolarHBondContact N-OD1 3.14Å; L160-F183 CarbonylContact O-C 3.59Å; L160-F183 VanDerWaalsContact O-CA 3.31Å; L160-F183 WeakPolarHBondContact O-CA 3.12Å; L160-F183 PolarHBondContact O-N 3.4Å; L160-I184 HydrophobicContact CB-CG1 4.14Å; L160-I184 WeakPolarHBondContact O-CG1 3.46Å; L160-I184 PolarHBondContact O-N 2.95Å
161	V	91.3	Very high	93.7	Very high	17 Å²	17	26.7 Å²	26.7	10%	0.103	13%	0.131	C	C	.	.			trans	-102.8	-25.9	178.1	-178.8	0	0	0	0	112.8	F159 F183 I184 R185	F159-V161 PolarHBondContact O-N 3.37Å; V161-F183 HydrophobicContact CG2-CB 4.2Å; V161-I184 CarbonylContact O-C 3.11Å; V161-I184 WeakPolarHBondContact O-CA 3.06Å; V161-R185 PolarHBondContact O-N 2.91Å
162	T	91.9	Very high	93.4	Very high	42 Å²	42	26.5 Å²	26.5	26%	0.258	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.4	-178.2	-59.5	0	0	0	0	110.5	I186	T162-I186 WeakPolarHBondContact CA-O 3.4Å; T162-I186 HydrophobicContact CG2-CB 4.2Å; T162-I186 HydrophobicContact CG2-CG2 4.29Å
163	L	95.4	Very high	93.4	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.9	165	-62.5	-178.7	0	0	0	109.5	L160 F168 I184 I186 I187 E188 A191 F192 L203	L160-L163 HydrophobicContact CD1-CD2 4.4Å; L163-F168 HydrophobicContact CD1-CE2 4.25Å; L163-F168 HydrophobicContact CD2-CE2 4.19Å; L163-F168 HydrophobicContact CD2-CZ 4.15Å; L163-I184 HydrophobicContact CD1-CD1 3.92Å; L163-I184 HydrophobicContact CD2-CD1 4.15Å; L163-I184 HydrophobicContact CG-CD1 3.94Å; L163-I184 HydrophobicContact CG-CG1 4.38Å; L163-I184 HydrophobicContact CG-CG2 4.19Å; L163-I186 PolarHBondContact N-O 3.45Å; L163-I187 HydrophobicContact CB-CG1 4.3Å; L163-I187 HydrophobicContact CB-CG2 4.37Å; L163-I187 HydrophobicContact CD1-CD1 4.17Å; L163-I187 HydrophobicContact CD1-CG1 4.21Å; L163-I187 HydrophobicContact CG-CG1 4.48Å; L163-E188 PolarHBondContact O-N 3.45Å; L163-A191 HydrophobicContact CB-CB 4.36Å; L163-F192 HydrophobicContact CD1-CE1 4.06Å; L163-F192 HydrophobicContact CD1-CZ 3.8Å; L163-L203 HydrophobicContact CD1-CD2 4.43Å
164	K	94.4	Very high	93.4	Very high	49 Å²	49	23.6 Å²	23.6	21%	0.213	12%	0.122	C	C	.	.			trans	-76.3	161.2	-177.6	-71.1	173.2	170.4	164.1	0	112.9	E138 E140 P141 T167 E188 A191	E138-K164 WeakPolarHBondContact OE1-CE 3.46Å; E138-K164 IonicContact OE1-NZ 2.65Å; E138-K164 PolarHBondContact OE1-NZ 3.22Å; E140-K164 IonicContact OE2-NZ 2.97Å; E140-K164 PolarHBondContact OE2-NZ 2.96Å; P141-K164 HydrophobicContact CG-CB 4.34Å; P141-K164 HydrophobicContact CG-CD 3.96Å; K164-T167 PolarHBondContact O-OG1 2.89Å; K164-E188 VanDerWaalsContact CA-OE2 3.25Å; K164-E188 WeakPolarHBondContact CA-OE2 3.35Å; K164-A191 WeakPolarHBondContact O-CA 3.32Å; K164-A191 WeakPolarHBondContact O-CB 3.41Å
165	E	92.4	Very high	93.3	Very high	92 Å²	92	24.6 Å²	24.6	43%	0.43	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	141.5	165.1	175.5	148.2	-140.8	0	0	110.6	T167 E188 G190	E165-T167 PolarHBondContact O-N 2.93Å; E165-E188 HydrophobicContact CB-CB 4.4Å; E165-E188 PolarHBondContact N-OE2 3.16Å; E165-G190 VanDerWaalsContact OE1-CA 3.27Å; E165-G190 WeakPolarHBondContact OE1-CA 3.49Å
166	D	90.4	Very high	93.4	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	5.7	179.8	-70	-2.1	0	0	0	117.4	G142 F168 Q169 K194	G142-D166 WeakPolarHBondContact CA-O 3.36Å; G142-D166 PolarHBondContact N-O 3.49Å; D166-F168 PolarHBondContact O-N 3Å; D166-F168 VanDerWaalsContact O-N 3.13Å; D166-Q169 HydrophobicContact CB-CB 4.17Å; D166-Q169 WeakPolarHBondContact O-CB 3.27Å; D166-Q169 PolarHBondContact O-N 2.8Å; D166-K194 WeakPolarHBondContact OD1-CE 3.46Å; D166-K194 IonicContact OD1-NZ 2.69Å; D166-K194 PolarHBondContact OD1-NZ 2.8Å; D166-K194 VanDerWaalsContact OD1-NZ 3.07Å; D166-K194 VanDerWaalsContact OD2-CE 3.26Å; D166-K194 WeakPolarHBondContact OD2-CE 3.4Å; D166-K194 IonicContact OD2-NZ 2.91Å; D166-K194 PolarHBondContact OD2-NZ 3.32Å
167	T	93.5	Very high	93.6	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-42.9	167.3	-70.8	0	0	0	0	112.5	L139 F144 K164 E165	L139-T167 HydrophobicContact CB-CG2 3.53Å; L139-T167 HydrophobicContact CD1-CG2 4.18Å; L139-T167 PolarHBondContact O-OG1 2.86Å; F144-T167 WeakPolarHBondContact CD2-O 3.32Å; K164-T167 PolarHBondContact O-OG1 2.89Å; E165-T167 PolarHBondContact O-N 2.93Å
168	F	95.2	Very high	94	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	22.5	-179.3	-57.4	-73.1	0	0	0	113.9	F144 L153 I155 L163 D166 L171 L177 A191 F192 L195	F144-F168 AromaticContact CD2-CD1 3.97Å; F144-F168 HydrophobicContact CD2-CD1 3.97Å; F144-F168 HydrophobicContact CD2-CE1 4.43Å; F144-F168 AromaticContact CE2-CD1 3.98Å; F144-F168 HydrophobicContact CE2-CD1 3.98Å; F144-F168 AromaticContact CE2-CE1 3.97Å; F144-F168 HydrophobicContact CE2-CE1 3.97Å; L153-F168 HydrophobicContact CD2-CD1 4.02Å; L153-F168 HydrophobicContact CD2-CE1 3.94Å; I155-F168 HydrophobicContact CD1-CE1 4.08Å; I155-F168 HydrophobicContact CD1-CZ 3.8Å; L163-F168 HydrophobicContact CD1-CE2 4.25Å; L163-F168 HydrophobicContact CD2-CE2 4.19Å; L163-F168 HydrophobicContact CD2-CZ 4.15Å; D166-F168 PolarHBondContact O-N 3Å; D166-F168 VanDerWaalsContact O-N 3.13Å; F168-L171 HydrophobicContact CB-CD1 4.1Å; F168-L171 HydrophobicContact CD1-CD1 3.89Å; F168-L171 WeakPolarHBondContact O-CB 3.49Å; F168-L177 HydrophobicContact CD1-CD2 4.37Å; F168-L177 HydrophobicContact CE1-CD1 4.07Å; F168-L177 HydrophobicContact CE1-CD2 4.09Å; F168-L177 HydrophobicContact CE2-CD2 4.3Å; F168-L177 HydrophobicContact CZ-CD1 4.48Å; F168-L177 HydrophobicContact CZ-CD2 4.06Å; F168-A191 WeakPolarHBondContact CD2-O 3.07Å; F168-F192 AromaticContact CD2-CD1 3.91Å; F168-F192 HydrophobicContact CD2-CD1 3.91Å; F168-F192 AromaticContact CD2-CE1 3.97Å; F168-F192 HydrophobicContact CD2-CE1 3.97Å; F168-F192 HydrophobicContact CE2-CD1 4.15Å; F168-F192 AromaticContact CE2-CE1 3.71Å; F168-F192 HydrophobicContact CE2-CE1 3.71Å; F168-L195 HydrophobicContact CB-CD1 4Å; F168-L195 HydrophobicContact CB-CD2 3.98Å; F168-L195 HydrophobicContact CB-CG 4.15Å; F168-L195 HydrophobicContact CG-CD1 4.32Å
169	Q	92.3	Very high	94.2	Very high	72 Å²	72	27.9 Å²	27.9	34%	0.336	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	150.9	172.8	-166.8	-178.3	-0.4	0	0	111.3	F144 N145 D166 L171 K194	F144-Q169 CarbonylContact C-O 3.59Å; F144-Q169 VanDerWaalsContact C-O 3.3Å; N145-Q169 PolarHBondContact N-O 2.84Å; N145-Q169 WeakPolarHBondContact OD1-CB 3.07Å; N145-Q169 WeakPolarHBondContact OD1-CG 3.32Å; D166-Q169 HydrophobicContact CB-CB 4.17Å; D166-Q169 WeakPolarHBondContact O-CB 3.27Å; D166-Q169 PolarHBondContact O-N 2.8Å; Q169-L171 VanDerWaalsContact C-N 3.25Å; Q169-L171 PolarHBondContact O-N 2.87Å; Q169-K194 HydrophobicContact CB-CG 4.3Å; Q169-K194 HydrophobicContact CG-CG 4.21Å
170	G	90.1	Very high	94.3	Very high	15 Å²	15	28.5 Å²	28.5	16%	0.155	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-25.1	-174.9	0	0	0	0	0	115.2	G148 I172	G148-G170 WeakPolarHBondContact CA-O 3.24Å; G170-I172 PolarHBondContact O-N 3.02Å
171	L	95.6	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.			trans	-75.4	46.6	-175.6	-66.5	178.4	0	0	0	114.7	F144 L147 L150 L153 F168 Q169 N173 L174 L195	F144-L171 HydrophobicContact CB-CD1 3.75Å; F144-L171 HydrophobicContact CB-CD2 3.94Å; F144-L171 HydrophobicContact CB-CG 3.7Å; F144-L171 HydrophobicContact CD2-CD1 3.85Å; F144-L171 HydrophobicContact CG-CD1 3.97Å; F144-L171 HydrophobicContact CG-CG 4.44Å; L147-L171 HydrophobicContact CB-CD2 3.68Å; L150-L171 HydrophobicContact CB-CD2 3.84Å; L150-L171 HydrophobicContact CD2-CD2 3.6Å; L150-L171 HydrophobicContact CG-CD2 4.33Å; L153-L171 HydrophobicContact CD2-CD1 3.73Å; F168-L171 HydrophobicContact CB-CD1 4.1Å; F168-L171 HydrophobicContact CD1-CD1 3.89Å; F168-L171 WeakPolarHBondContact O-CB 3.49Å; Q169-L171 VanDerWaalsContact C-N 3.25Å; Q169-L171 PolarHBondContact O-N 2.87Å; L171-N173 PolarHBondContact O-N 3.13Å; L171-N173 VanDerWaalsContact O-N 3.08Å; L171-L174 HydrophobicContact CB-CB 4.17Å; L171-L174 HydrophobicContact CB-CD2 4.49Å; L171-L174 HydrophobicContact CD1-CD2 4.2Å; L171-L174 WeakPolarHBondContact O-CB 3.5Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.14Å; L171-L195 HydrophobicContact CB-CD2 3.57Å
172	I	91.9	Very high	94.1	Very high	85 Å²	85	28.7 Å²	28.7	44%	0.436	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.4	-174.6	61.5	170.7	0	0	0	115	G170 R197	G170-I172 PolarHBondContact O-N 3.02Å; I172-R197 WeakPolarHBondContact O-CD 3.47Å
173	N	95.8	Very high	94	Very high	40 Å²	40	27.3 Å²	27.3	21%	0.214	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	1.7	-179.3	-82.9	-49.5	0	0	0	114.3	G148 L150 L171 E175 R197	G148-N173 WeakPolarHBondContact O-CB 3.43Å; G148-N173 PolarHBondContact O-ND2 2.97Å; L150-N173 CarbonylContact O-C 3.56Å; L171-N173 PolarHBondContact O-N 3.13Å; L171-N173 VanDerWaalsContact O-N 3.08Å; N173-E175 WeakPolarHBondContact O-CG 3.14Å; N173-E175 PolarHBondContact O-N 3.42Å; N173-R197 WeakPolarHBondContact OD1-CD 3.5Å; N173-R197 PolarHBondContact OD1-NH1 2.86Å
174	L	97.8	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.			trans	-65.5	124.7	-174.8	-162.1	73.4	0	0	0	110.6	L150 L153 L171 L177 L195 R197 L198	L150-L174 HydrophobicContact CD2-CD1 4.07Å; L150-L174 HydrophobicContact CG-CD1 4.2Å; L150-L174 VanDerWaalsContact O-CA 3.29Å; L150-L174 WeakPolarHBondContact O-CA 3.42Å; L150-L174 PolarHBondContact O-N 3.41Å; L153-L174 HydrophobicContact CB-CD1 3.68Å; L153-L174 HydrophobicContact CB-CD2 4.34Å; L171-L174 HydrophobicContact CB-CB 4.17Å; L171-L174 HydrophobicContact CB-CD2 4.49Å; L171-L174 HydrophobicContact CD1-CD2 4.2Å; L171-L174 WeakPolarHBondContact O-CB 3.5Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.14Å; L174-L177 HydrophobicContact CD2-CB 4.04Å; L174-L195 HydrophobicContact CB-CD2 4.11Å; L174-L195 HydrophobicContact CD2-CD1 4.22Å; L174-L195 HydrophobicContact CD2-CD2 3.81Å; L174-R197 CarbonylContact O-C 3.54Å; L174-L198 HydrophobicContact CD2-CD1 4.13Å; L174-L198 HydrophobicContact CG-CD1 4.22Å; L174-L198 WeakPolarHBondContact O-CA 3.35Å; L174-L198 PolarHBondContact O-N 2.94Å
175	E	97.1	Very high	93.8	Very high	52 Å²	52	28.4 Å²	28.4	24%	0.243	14%	0.139	C	C	.	.			trans	-106.4	-23.9	178.8	-55.2	-170.4	-140.1	0	0	111.6	K151 N173 K199 V200	K151-E175 HydrophobicContact CB-CG 4.45Å; K151-E175 IonicContact NZ-OE1 2.73Å; K151-E175 PolarHBondContact NZ-OE1 2.83Å; K151-E175 WeakPolarHBondContact O-CA 3.3Å; K151-E175 PolarHBondContact O-N 2.83Å; N173-E175 WeakPolarHBondContact O-CG 3.14Å; N173-E175 PolarHBondContact O-N 3.42Å; E175-K199 HydrophobicContact CB-CD 4.42Å; E175-K199 WeakPolarHBondContact O-CB 3.44Å; E175-K199 PolarHBondContact O-N 3.04Å; E175-K199 WeakPolarHBondContact OE2-CE 3.16Å; E175-K199 IonicContact OE2-NZ 3.58Å; E175-K199 PolarHBondContact OE2-NZ 3.43Å; E175-V200 PolarHBondContact O-N 3.13Å; E175-V200 VanDerWaalsContact O-N 3.12Å
176	F	97.9	Very high	93.7	Very high	39 Å²	39	26.6 Å²	26.6	17%	0.171	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.8	-176.3	-178.3	-79.6	0	0	0	111.2	K151 K152 L153 H154 Q178 V200 I202	K151-F176 PolarHBondContact O-N 3.18Å; K152-F176 WeakPolarHBondContact CA-O 3.41Å; K152-F176 HydrophobicContact CB-CB 4.37Å; K152-F176 HydrophobicContact CB-CD1 4.45Å; K152-F176 HydrophobicContact CG-CB 4.05Å; L153-F176 PolarHBondContact N-O 3.38Å; H154-F176 AromaticContact CE1-CD1 3.88Å; H154-F176 AromaticContact CE1-CE1 3.24Å; H154-F176 WeakPolarHBondContact CE1-CE1 3.19Å; H154-F176 AromaticContact CE1-CZ 3.99Å; H154-F176 AromaticContact ND1-CE1 3.58Å; H154-F176 AromaticContact NE2-CD1 3.97Å; H154-F176 AromaticContact NE2-CE1 3.8Å; F176-Q178 HydrophobicContact CD1-CB 4.42Å; F176-Q178 HydrophobicContact CE1-CB 3.53Å; F176-Q178 HydrophobicContact CZ-CB 4.08Å; F176-V200 WeakPolarHBondContact CA-O 3.39Å; F176-V200 HydrophobicContact CD2-CB 3.58Å; F176-V200 HydrophobicContact CD2-CG1 3.59Å; F176-V200 HydrophobicContact CD2-CG2 4.13Å; F176-V200 HydrophobicContact CE2-CB 4.16Å; F176-V200 HydrophobicContact CE2-CG1 3.62Å; F176-V200 HydrophobicContact CG-CB 4.3Å; F176-I202 HydrophobicContact CE2-CD1 4.02Å; F176-I202 HydrophobicContact CZ-CD1 3.69Å
177	L	98.1	Very high	94	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.9	173.9	178.5	56.1	0	0	0	109.9	L153 I155 F168 L174 F192 L195 L198 V200 L201 I202	L153-L177 HydrophobicContact CB-CD1 4.01Å; L153-L177 HydrophobicContact CD2-CD1 4Å; L153-L177 HydrophobicContact CG-CD1 3.93Å; L153-L177 WeakPolarHBondContact O-CA 3.42Å; I155-L177 HydrophobicContact CD1-CD1 4.42Å; F168-L177 HydrophobicContact CD1-CD2 4.37Å; F168-L177 HydrophobicContact CE1-CD1 4.07Å; F168-L177 HydrophobicContact CE1-CD2 4.09Å; F168-L177 HydrophobicContact CE2-CD2 4.3Å; F168-L177 HydrophobicContact CZ-CD1 4.48Å; F168-L177 HydrophobicContact CZ-CD2 4.06Å; L174-L177 HydrophobicContact CD2-CB 4.04Å; L177-F192 HydrophobicContact CD2-CD1 4.23Å; L177-F192 HydrophobicContact CD2-CE1 3.86Å; L177-L195 HydrophobicContact CD2-CD1 4.1Å; L177-L198 HydrophobicContact CB-CD1 3.74Å; L177-L198 HydrophobicContact CB-CD2 4.45Å; L177-V200 PolarHBondContact N-O 2.88Å; L177-L201 HydrophobicContact CB-CD1 4.05Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CG-CD1 3.95Å; L177-L201 WeakPolarHBondContact O-CA 3.02Å; L177-I202 PolarHBondContact O-N 2.79Å
178	Q	97.6	Very high	94.1	Very high	41 Å²	41	28.6 Å²	28.6	19%	0.192	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.2	178.1	177.1	-175.3	-4.1	0	0	110.5	L153 H154 I155 N156 F176 D180 I202	L153-Q178 PolarHBondContact O-N 3.49Å; H154-Q178 PolarHBondContact ND1-OE1 2.68Å; I155-Q178 WeakPolarHBondContact CG1-O 3.03Å; I155-Q178 PolarHBondContact N-O 3.3Å; N156-Q178 HydrophobicContact CB-CG 4.14Å; N156-Q178 PolarHBondContact N-O 3Å; F176-Q178 HydrophobicContact CD1-CB 4.42Å; F176-Q178 HydrophobicContact CE1-CB 3.53Å; F176-Q178 HydrophobicContact CZ-CB 4.08Å; Q178-D180 WeakPolarHBondContact CG-OD1 3.42Å; Q178-D180 PolarHBondContact NE2-OD1 3.09Å; Q178-I202 HydrophobicContact CB-CB 4.33Å; Q178-I202 HydrophobicContact CB-CD1 4.41Å; Q178-I202 HydrophobicContact CG-CB 4.16Å; Q178-I202 HydrophobicContact CG-CD1 4.29Å; Q178-I202 HydrophobicContact CG-CG2 4.37Å
179	A	96.6	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.			trans	-140.6	27.4	-174.6	0	0	0	0	0	112.1	I155 I184 I202 L203 N206	I155-A179 HydrophobicContact CD1-CB 3.81Å; I155-A179 HydrophobicContact CG1-CB 3.56Å; A179-I184 HydrophobicContact CB-CD1 4.34Å; A179-I202 CarbonylContact C-O 2.99Å; A179-I202 PolarHBondContact N-O 3.42Å; A179-L203 HydrophobicContact CB-CD2 3.93Å; A179-N206 PolarHBondContact O-ND2 2.82Å
180	D	92.1	Very high	93.7	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	15%	0.147	C	C	.	.			trans	-66.1	170	174.7	68.7	-86.7	0	0	0	112.8	N156 S157 Q178 N182 I202 N204	N156-D180 WeakPolarHBondContact CA-O 3.41Å; N156-D180 WeakPolarHBondContact CB-O 3.47Å; N156-D180 WeakPolarHBondContact CB-OD1 3.3Å; S157-D180 PolarHBondContact N-O 3.04Å; S157-D180 VanDerWaalsContact N-O 3.09Å; Q178-D180 WeakPolarHBondContact CG-OD1 3.42Å; Q178-D180 PolarHBondContact NE2-OD1 3.09Å; D180-N182 PolarHBondContact O-N 3.13Å; D180-N182 VanDerWaalsContact O-N 3.08Å; D180-N182 PolarHBondContact O-ND2 2.99Å; D180-I202 HydrophobicContact CB-CG2 4.16Å; D180-N204 VanDerWaalsContact CA-O 3.27Å; D180-N204 WeakPolarHBondContact CA-O 3.37Å; D180-N204 WeakPolarHBondContact CB-O 3.38Å; D180-N204 VanDerWaalsContact CB-OD1 3.3Å; D180-N204 WeakPolarHBondContact CB-OD1 3.15Å
181	T	87.3	Confident	93.9	Very high	21 Å²	21	28 Å²	28	13%	0.129	14%	0.14	C	C	.	.	S	Bend	trans	51.9	38.7	173.2	-42.5	0	0	0	0	112	S157 N204 H360 V383	S157-T181 VanDerWaalsContact CA-O 3.24Å; S157-T181 WeakPolarHBondContact CA-O 3.49Å; S157-T181 PolarHBondContact N-O 2.74Å; T181-N204 PolarHBondContact N-O 3.42Å; T181-H360 PolarHBondContact O-CE1 2.97Å; T181-V383 HydrophobicContact CG2-CG1 4.03Å
182	N	92	Very high	93.9	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	14%	0.141	C	C	.	.	S	Bend	trans	-113.1	-167.6	171.9	-87.1	-98.7	0	0	0	108.2	I155 N156 S157 N158 L160 D180 I184 N206	I155-N182 PolarHBondContact O-ND2 3.39Å; N156-N182 WeakPolarHBondContact CA-ND2 3.44Å; S157-N182 PolarHBondContact N-ND2 3.3Å; N158-N182 WeakPolarHBondContact CA-OD1 3.29Å; N158-N182 VanDerWaalsContact CB-OD1 3.27Å; N158-N182 WeakPolarHBondContact CB-OD1 3.15Å; N158-N182 PolarHBondContact N-OD1 3.27Å; N158-N182 PolarHBondContact O-OD1 3.14Å; N158-N182 VanDerWaalsContact O-OD1 3.05Å; L160-N182 HydrophobicContact CB-CB 4.4Å; L160-N182 VanDerWaalsContact CB-OD1 3.28Å; L160-N182 WeakPolarHBondContact CB-OD1 3.4Å; L160-N182 VanDerWaalsContact CG-OD1 3.24Å; L160-N182 WeakPolarHBondContact CG-OD1 3.22Å; L160-N182 PolarHBondContact N-OD1 3.14Å; D180-N182 PolarHBondContact O-N 3.13Å; D180-N182 VanDerWaalsContact O-N 3.08Å; D180-N182 PolarHBondContact O-ND2 2.99Å; N182-I184 HydrophobicContact CB-CD1 4.13Å; N182-I184 HydrophobicContact CB-CG1 4.04Å; N182-N206 WeakPolarHBondContact CA-OD1 3.41Å; N182-N206 WeakPolarHBondContact CB-OD1 3.31Å; N182-N206 PolarHBondContact O-OD1 2.81Å
183	F	89.8	Confident	93.7	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.053	13%	0.129	C	C	.	.			trans	-115	23.5	179.5	-55	-59.6	0	0	0	113	F159 L160 V161 R185 N206 L358 H360 K381	F159-F183 HydrophobicContact CD1-CD2 4.4Å; F159-F183 AromaticContact CD1-CE2 3.74Å; F159-F183 HydrophobicContact CD1-CE2 3.74Å; F159-F183 HydrophobicContact CE1-CE2 4.25Å; F159-F183 HydrophobicContact CG-CE2 4.37Å; L160-F183 CarbonylContact O-C 3.59Å; L160-F183 VanDerWaalsContact O-CA 3.31Å; L160-F183 WeakPolarHBondContact O-CA 3.12Å; L160-F183 PolarHBondContact O-N 3.4Å; V161-F183 HydrophobicContact CG2-CB 4.2Å; F183-R185 PolarHBondContact O-N 3.35Å; F183-R185 VanDerWaalsContact O-N 3.1Å; F183-N206 PolarHBondContact N-OD1 3.02Å; F183-L358 HydrophobicContact CD1-CD2 4.31Å; F183-L358 HydrophobicContact CD2-CB 4.48Å; F183-L358 HydrophobicContact CD2-CD1 3.62Å; F183-L358 HydrophobicContact CD2-CG 4.43Å; F183-L358 HydrophobicContact CE1-CD2 4.07Å; F183-L358 HydrophobicContact CE2-CB 3.78Å; F183-L358 HydrophobicContact CE2-CD1 3.79Å; F183-L358 HydrophobicContact CE2-CD2 4.31Å; F183-L358 HydrophobicContact CE2-CG 4.16Å; F183-L358 HydrophobicContact CG-CD1 4.05Å; F183-L358 HydrophobicContact CZ-CB 3.89Å; F183-L358 HydrophobicContact CZ-CD1 4.35Å; F183-L358 HydrophobicContact CZ-CD2 4.04Å; F183-L358 HydrophobicContact CZ-CG 4.31Å; F183-H360 AromaticContact CE2-CD2 3.88Å; F183-H360 AromaticContact CE2-NE2 3.31Å; F183-H360 VanDerWaalsContact CE2-NE2 3.31Å; F183-H360 WeakPolarHBondContact CE2-NE2 3.37Å; F183-H360 AromaticContact CZ-CD2 3.7Å; F183-H360 AromaticContact CZ-NE2 3.05Å; F183-H360 WeakPolarHBondContact CZ-NE2 3.46Å; F183-K381 HydrophobicContact CD1-CD 3.54Å; F183-K381 HydrophobicContact CE1-CB 3.97Å; F183-K381 HydrophobicContact CE1-CD 3.42Å; F183-K381 VanDerWaalsContact CE1-CD 3.42Å; F183-K381 HydrophobicContact CE1-CG 4.32Å; F183-K381 HydrophobicContact CZ-CB 4.48Å
184	I	94.2	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.			trans	-62.9	115.6	-169.2	-58	162.7	0	0	0	109.4	L160 V161 L163 A179 N182 I187 L203 N206 S207 I208	L160-I184 HydrophobicContact CB-CG1 4.14Å; L160-I184 WeakPolarHBondContact O-CG1 3.46Å; L160-I184 PolarHBondContact O-N 2.95Å; V161-I184 CarbonylContact O-C 3.11Å; V161-I184 WeakPolarHBondContact O-CA 3.06Å; L163-I184 HydrophobicContact CD1-CD1 3.92Å; L163-I184 HydrophobicContact CD2-CD1 4.15Å; L163-I184 HydrophobicContact CG-CD1 3.94Å; L163-I184 HydrophobicContact CG-CG1 4.38Å; L163-I184 HydrophobicContact CG-CG2 4.19Å; A179-I184 HydrophobicContact CB-CD1 4.34Å; N182-I184 HydrophobicContact CB-CD1 4.13Å; N182-I184 HydrophobicContact CB-CG1 4.04Å; I184-I187 HydrophobicContact CG2-CD1 4.36Å; I184-I187 HydrophobicContact CG2-CG1 3.82Å; I184-L203 HydrophobicContact CD1-CD2 4.26Å; I184-N206 HydrophobicContact CB-CB 4.21Å; I184-N206 VanDerWaalsContact CB-OD1 3.27Å; I184-N206 WeakPolarHBondContact CB-OD1 3.37Å; I184-N206 WeakPolarHBondContact CD1-OD1 3.31Å; I184-N206 VanDerWaalsContact CG1-OD1 3.27Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.47Å; I184-N206 PolarHBondContact N-OD1 2.99Å; I184-S207 CarbonylContact O-C 3.28Å; I184-S207 WeakPolarHBondContact O-CA 3.4Å; I184-S207 PolarHBondContact O-N 2.91Å; I184-I208 HydrophobicContact CB-CG1 4.39Å; I184-I208 HydrophobicContact CG2-CG1 4.13Å; I184-I208 VanDerWaalsContact O-CG1 3.31Å; I184-I208 WeakPolarHBondContact O-CG1 3.35Å; I184-I208 PolarHBondContact O-N 3.32Å
185	R	91.4	Very high	93.2	Very high	74 Å²	74	27.5 Å²	27.5	28%	0.279	14%	0.135	S	C	.	.			trans	-100.1	-35.7	174	-174.2	-178.5	64.8	-164	-1.6	111.6	V161 F183 E209 E354	V161-R185 PolarHBondContact O-N 2.91Å; F183-R185 PolarHBondContact O-N 3.35Å; F183-R185 VanDerWaalsContact O-N 3.1Å; R185-E209 VanDerWaalsContact CD-OE1 3.29Å; R185-E209 WeakPolarHBondContact CD-OE1 3.48Å; R185-E209 HydrophobicContact CG-CG 4.32Å; R185-E209 WeakPolarHBondContact CG-OE1 3.24Å; R185-E354 IonicContact CZ-OE2 3.19Å; R185-E354 IonicContact NH1-OE2 2.62Å; R185-E354 PolarHBondContact NH1-OE2 3.43Å; R185-E354 IonicContact NH2-OE2 2.83Å; R185-E354 PolarHBondContact NH2-OE2 3.46Å
186	I	91.9	Very high	93.1	Very high	54 Å²	54	29.4 Å²	29.4	28%	0.277	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.3	-172.4	-58.3	175.1	0	0	0	109.9	T162 L163	T162-I186 WeakPolarHBondContact CA-O 3.4Å; T162-I186 HydrophobicContact CG2-CB 4.2Å; T162-I186 HydrophobicContact CG2-CG2 4.29Å; L163-I186 PolarHBondContact N-O 3.45Å
187	I	96.2	Very high	92.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.1	168.1	-59.6	-177.2	0	0	0	106.8	L163 I184 A191 F192 L203 I208 L211 P212 I215	L163-I187 HydrophobicContact CB-CG1 4.3Å; L163-I187 HydrophobicContact CB-CG2 4.37Å; L163-I187 HydrophobicContact CD1-CD1 4.17Å; L163-I187 HydrophobicContact CD1-CG1 4.21Å; L163-I187 HydrophobicContact CG-CG1 4.48Å; I184-I187 HydrophobicContact CG2-CD1 4.36Å; I184-I187 HydrophobicContact CG2-CG1 3.82Å; I187-A191 HydrophobicContact CG2-CB 3.88Å; I187-F192 HydrophobicContact CD1-CE2 4.31Å; I187-F192 HydrophobicContact CD1-CZ 4.32Å; I187-F192 HydrophobicContact CG2-CE2 4.07Å; I187-F192 HydrophobicContact CG2-CZ 4.35Å; I187-L203 HydrophobicContact CD1-CD1 4.09Å; I187-L203 HydrophobicContact CD1-CD2 4.4Å; I187-I208 HydrophobicContact CD1-CD1 3.81Å; I187-I208 HydrophobicContact CD1-CG1 4.4Å; I187-L211 HydrophobicContact CD1-CD2 3.99Å; I187-P212 WeakPolarHBondContact O-CG 3.18Å; I187-I215 HydrophobicContact CG2-CD1 4.14Å; I187-I215 HydrophobicContact CG2-CG1 4.48Å
188	E	94.6	Very high	92.9	Very high	73 Å²	73	34.1 Å²	34.1	34%	0.341	16%	0.162	S	C	.	.			trans	-77.5	150.9	-178.7	-68.4	-176.9	172.1	0	0	111.8	L163 K164 E165 G190 A191 I215	L163-E188 PolarHBondContact O-N 3.45Å; K164-E188 VanDerWaalsContact CA-OE2 3.25Å; K164-E188 WeakPolarHBondContact CA-OE2 3.35Å; E165-E188 HydrophobicContact CB-CB 4.4Å; E165-E188 PolarHBondContact N-OE2 3.16Å; E188-G190 PolarHBondContact O-N 3.2Å; E188-A191 WeakPolarHBondContact O-CB 3.4Å; E188-A191 PolarHBondContact O-N 3.33Å; E188-I215 VanDerWaalsContact O-CD1 3.25Å; E188-I215 WeakPolarHBondContact O-CD1 3.22Å
189	P	89.8	Confident	92.7	Very high	75 Å²	75	36.5 Å²	36.5	49%	0.487	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.6	-170.2	-23.8	33.5	0	0	0	115.7	N193 P212 I215	P189-N193 PolarHBondContact O-ND2 3.1Å; P189-P212 HydrophobicContact CB-CB 3.89Å; P189-P212 HydrophobicContact CB-CG 4.38Å; P189-P212 HydrophobicContact CG-CB 3.95Å; P189-P212 HydrophobicContact CG-CG 4.17Å; P189-I215 WeakPolarHBondContact O-CD1 3.36Å
190	G	90.1	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-14.9	178.5	0	0	0	0	0	116.7	E165 E188 F192 N193	E165-G190 VanDerWaalsContact OE1-CA 3.27Å; E165-G190 WeakPolarHBondContact OE1-CA 3.49Å; E188-G190 PolarHBondContact O-N 3.2Å; G190-F192 VanDerWaalsContact C-N 3.28Å; G190-F192 PolarHBondContact O-N 3.08Å; G190-N193 WeakPolarHBondContact O-CB 3.49Å; G190-N193 PolarHBondContact O-N 2.64Å
191	A	94.8	Very high	93	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-41.8	-160.3	0	0	0	0	0	114.2	L163 K164 F168 I187 E188 I215	L163-A191 HydrophobicContact CB-CB 4.36Å; K164-A191 WeakPolarHBondContact O-CA 3.32Å; K164-A191 WeakPolarHBondContact O-CB 3.41Å; F168-A191 WeakPolarHBondContact CD2-O 3.07Å; I187-A191 HydrophobicContact CG2-CB 3.88Å; E188-A191 WeakPolarHBondContact O-CB 3.4Å; E188-A191 PolarHBondContact O-N 3.33Å; A191-I215 HydrophobicContact CB-CD1 4.31Å
192	F	94.4	Very high	93.4	Very high	1 Å²	1	38 Å²	38	0%	0.004	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.7	-178.8	-52.1	-45.9	0	0	0	114.6	L163 F168 L177 I187 G190 K194 L195 L201 L203 I215 F216 V219	L163-F192 HydrophobicContact CD1-CE1 4.06Å; L163-F192 HydrophobicContact CD1-CZ 3.8Å; F168-F192 AromaticContact CD2-CD1 3.91Å; F168-F192 HydrophobicContact CD2-CD1 3.91Å; F168-F192 AromaticContact CD2-CE1 3.97Å; F168-F192 HydrophobicContact CD2-CE1 3.97Å; F168-F192 HydrophobicContact CE2-CD1 4.15Å; F168-F192 AromaticContact CE2-CE1 3.71Å; F168-F192 HydrophobicContact CE2-CE1 3.71Å; L177-F192 HydrophobicContact CD2-CD1 4.23Å; L177-F192 HydrophobicContact CD2-CE1 3.86Å; I187-F192 HydrophobicContact CD1-CE2 4.31Å; I187-F192 HydrophobicContact CD1-CZ 4.32Å; I187-F192 HydrophobicContact CG2-CE2 4.07Å; I187-F192 HydrophobicContact CG2-CZ 4.35Å; G190-F192 VanDerWaalsContact C-N 3.28Å; G190-F192 PolarHBondContact O-N 3.08Å; F192-K194 PolarHBondContact O-N 2.93Å; F192-L195 HydrophobicContact CB-CD1 4.13Å; F192-L195 HydrophobicContact CD1-CD1 3.82Å; F192-L195 HydrophobicContact CG-CD1 4.38Å; F192-L195 WeakPolarHBondContact O-CB 3.34Å; F192-L195 PolarHBondContact O-N 3.36Å; F192-L201 HydrophobicContact CD2-CD2 4.09Å; F192-L201 HydrophobicContact CE2-CD2 3.78Å; F192-L201 HydrophobicContact CZ-CD1 4.31Å; F192-L201 HydrophobicContact CZ-CD2 4.14Å; F192-L203 HydrophobicContact CE2-CD1 4.38Å; F192-L203 HydrophobicContact CZ-CD1 4.34Å; F192-I215 HydrophobicContact CD2-CD1 4.11Å; F192-I215 HydrophobicContact CD2-CG1 3.77Å; F192-I215 HydrophobicContact CE2-CG1 4.39Å; F192-F216 HydrophobicContact CD2-CD1 4.32Å; F192-F216 AromaticContact CD2-CE1 3.64Å; F192-F216 HydrophobicContact CD2-CE1 3.64Å; F192-F216 HydrophobicContact CE2-CE1 4.18Å; F192-V219 HydrophobicContact CB-CG2 4.18Å; F192-V219 VanDerWaalsContact O-CG2 3.26Å; F192-V219 WeakPolarHBondContact O-CG2 3.31Å
193	N	88.5	Confident	93.6	Very high	37 Å²	37	37.9 Å²	37.9	20%	0.198	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16	-168.2	-88.2	-28.8	0	0	0	115.6	P189 G190 N214	P189-N193 PolarHBondContact O-ND2 3.1Å; G190-N193 WeakPolarHBondContact O-CB 3.49Å; G190-N193 PolarHBondContact O-N 2.64Å; N193-N214 PolarHBondContact OD1-O 2.94Å
194	K	89.1	Confident	93.6	Very high	75 Å²	75	38.3 Å²	38.3	33%	0.326	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-6.9	176.7	-40.2	-63.7	174.5	169.7	0	113.5	D166 Q169 F192 I196	D166-K194 WeakPolarHBondContact OD1-CE 3.46Å; D166-K194 IonicContact OD1-NZ 2.69Å; D166-K194 PolarHBondContact OD1-NZ 2.8Å; D166-K194 VanDerWaalsContact OD1-NZ 3.07Å; D166-K194 VanDerWaalsContact OD2-CE 3.26Å; D166-K194 WeakPolarHBondContact OD2-CE 3.4Å; D166-K194 IonicContact OD2-NZ 2.91Å; D166-K194 PolarHBondContact OD2-NZ 3.32Å; Q169-K194 HydrophobicContact CB-CG 4.3Å; Q169-K194 HydrophobicContact CG-CG 4.21Å; F192-K194 PolarHBondContact O-N 2.93Å; K194-I196 PolarHBondContact O-N 3.08Å
195	L	94.8	Very high	93.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.194	C	C	.	.			trans	-82.8	56.5	-171	-62.6	-177.8	0	0	0	112.7	F168 L171 L174 L177 F192 R197 L198	F168-L195 HydrophobicContact CB-CD1 4Å; F168-L195 HydrophobicContact CB-CD2 3.98Å; F168-L195 HydrophobicContact CB-CG 4.15Å; F168-L195 HydrophobicContact CG-CD1 4.32Å; L171-L195 HydrophobicContact CB-CD2 3.57Å; L174-L195 HydrophobicContact CB-CD2 4.11Å; L174-L195 HydrophobicContact CD2-CD1 4.22Å; L174-L195 HydrophobicContact CD2-CD2 3.81Å; L177-L195 HydrophobicContact CD2-CD1 4.1Å; F192-L195 HydrophobicContact CB-CD1 4.13Å; F192-L195 HydrophobicContact CD1-CD1 3.82Å; F192-L195 HydrophobicContact CG-CD1 4.38Å; F192-L195 WeakPolarHBondContact O-CB 3.34Å; F192-L195 PolarHBondContact O-N 3.36Å; L195-R197 PolarHBondContact O-N 3.06Å; L195-L198 HydrophobicContact CB-CB 3.97Å; L195-L198 HydrophobicContact CB-CD2 4.31Å; L195-L198 HydrophobicContact CD1-CD2 3.94Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.44Å
196	I	93.2	Very high	93.4	Very high	93 Å²	93	37.4 Å²	37.4	48%	0.477	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.3	-169.8	60.7	166.6	0	0	0	116.3	K194 F218	K194-I196 PolarHBondContact O-N 3.08Å; I196-F218 WeakPolarHBondContact CA-O 3.27Å; I196-F218 HydrophobicContact CG2-CB 4.45Å
197	R	95.7	Very high	93.4	Very high	139 Å²	139	36.2 Å²	36.2	53%	0.525	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	1.5	178.3	-75.3	-178.2	170.8	-166.1	-4.9	113.8	I172 N173 L174 L195 K199	I172-R197 WeakPolarHBondContact O-CD 3.47Å; N173-R197 WeakPolarHBondContact OD1-CD 3.5Å; N173-R197 PolarHBondContact OD1-NH1 2.86Å; L174-R197 CarbonylContact O-C 3.54Å; L195-R197 PolarHBondContact O-N 3.06Å; R197-K199 PolarHBondContact O-N 3.12Å
198	L	96.9	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.			trans	-69.7	128	-173.3	-174.4	72.6	0	0	0	111.2	L174 L177 L195 V200 L201 V219 P220 L221	L174-L198 HydrophobicContact CD2-CD1 4.13Å; L174-L198 HydrophobicContact CG-CD1 4.22Å; L174-L198 WeakPolarHBondContact O-CA 3.35Å; L174-L198 PolarHBondContact O-N 2.94Å; L177-L198 HydrophobicContact CB-CD1 3.74Å; L177-L198 HydrophobicContact CB-CD2 4.45Å; L195-L198 HydrophobicContact CB-CB 3.97Å; L195-L198 HydrophobicContact CB-CD2 4.31Å; L195-L198 HydrophobicContact CD1-CD2 3.94Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 3.44Å; L198-V200 WeakPolarHBondContact CD1-O 3.18Å; L198-L201 HydrophobicContact CD2-CB 4.28Å; L198-V219 HydrophobicContact CB-CG1 3.81Å; L198-V219 HydrophobicContact CD2-CG1 3.83Å; L198-V219 HydrophobicContact CG-CG1 4.28Å; L198-P220 CarbonylContact O-C 3.59Å; L198-P220 WeakPolarHBondContact O-CD 3.42Å; L198-L221 HydrophobicContact CD2-CD2 3.92Å; L198-L221 HydrophobicContact CG-CD2 3.89Å; L198-L221 PolarHBondContact O-N 3.24Å
199	K	94.1	Very high	93.1	Very high	91 Å²	91	37 Å²	37	40%	0.396	18%	0.183	S	C	.	.			trans	-111.7	-39.3	-178.5	-62.7	168.7	-173.3	170.5	0	111.5	E175 R197 T222 H223	E175-K199 HydrophobicContact CB-CD 4.42Å; E175-K199 WeakPolarHBondContact O-CB 3.44Å; E175-K199 PolarHBondContact O-N 3.04Å; E175-K199 WeakPolarHBondContact OE2-CE 3.16Å; E175-K199 IonicContact OE2-NZ 3.58Å; E175-K199 PolarHBondContact OE2-NZ 3.43Å; R197-K199 PolarHBondContact O-N 3.12Å; K199-T222 PolarHBondContact O-N 2.83Å; K199-T222 PolarHBondContact O-OG1 3.3Å; K199-H223 PolarHBondContact O-N 3.33Å
200	V	96.4	Very high	93.2	Very high	31 Å²	31	38.9 Å²	38.9	19%	0.188	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.6	-175	-177.7	0	0	0	0	109.4	E175 F176 L177 L198 I202 H223	E175-V200 PolarHBondContact O-N 3.13Å; E175-V200 VanDerWaalsContact O-N 3.12Å; F176-V200 WeakPolarHBondContact CA-O 3.39Å; F176-V200 HydrophobicContact CD2-CB 3.58Å; F176-V200 HydrophobicContact CD2-CG1 3.59Å; F176-V200 HydrophobicContact CD2-CG2 4.13Å; F176-V200 HydrophobicContact CE2-CB 4.16Å; F176-V200 HydrophobicContact CE2-CG1 3.62Å; F176-V200 HydrophobicContact CG-CB 4.3Å; L177-V200 PolarHBondContact N-O 2.88Å; L198-V200 WeakPolarHBondContact CD1-O 3.18Å; V200-I202 HydrophobicContact CG1-CD1 4.24Å; V200-I202 HydrophobicContact CG1-CG1 3.99Å; V200-H223 WeakPolarHBondContact CA-O 3.38Å; V200-H223 HydrophobicContact CB-CB 4.49Å; V200-H223 HydrophobicContact CG1-CB 4.21Å; V200-H223 HydrophobicContact CG2-CB 4.15Å
201	L	97.5	Very high	93.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.1	175.3	177.4	57.4	0	0	0	109.9	L177 F192 L198 L203 F216 L221 H223 L224 D225	L177-L201 HydrophobicContact CB-CD1 4.05Å; L177-L201 HydrophobicContact CD2-CD1 3.94Å; L177-L201 HydrophobicContact CG-CD1 3.95Å; L177-L201 WeakPolarHBondContact O-CA 3.02Å; F192-L201 HydrophobicContact CD2-CD2 4.09Å; F192-L201 HydrophobicContact CE2-CD2 3.78Å; F192-L201 HydrophobicContact CZ-CD1 4.31Å; F192-L201 HydrophobicContact CZ-CD2 4.14Å; L198-L201 HydrophobicContact CD2-CB 4.28Å; L201-L203 HydrophobicContact CD1-CD1 4.07Å; L201-L203 HydrophobicContact CD1-CG 4.03Å; L201-L203 HydrophobicContact CD2-CD1 3.86Å; L201-L203 HydrophobicContact CG-CD1 3.85Å; L201-L203 HydrophobicContact CG-CG 4.13Å; L201-F216 HydrophobicContact CD2-CE1 3.54Å; L201-F216 HydrophobicContact CD2-CZ 3.75Å; L201-L221 HydrophobicContact CB-CD1 4.48Å; L201-L221 HydrophobicContact CB-CD2 3.89Å; L201-L221 HydrophobicContact CD2-CD1 4.41Å; L201-H223 PolarHBondContact N-O 2.89Å; L201-L224 HydrophobicContact CB-CD1 3.95Å; L201-L224 HydrophobicContact CD2-CD1 3.92Å; L201-L224 HydrophobicContact CG-CD1 3.88Å; L201-L224 WeakPolarHBondContact O-CA 3.15Å; L201-D225 PolarHBondContact O-N 3.36Å
202	I	96.4	Very high	93.2	Very high	36 Å²	36	39.8 Å²	39.8	19%	0.185	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.8	-177	-53.1	178.2	0	0	0	108.6	F176 L177 Q178 A179 D180 V200 N204 D225	F176-I202 HydrophobicContact CE2-CD1 4.02Å; F176-I202 HydrophobicContact CZ-CD1 3.69Å; L177-I202 PolarHBondContact O-N 2.79Å; Q178-I202 HydrophobicContact CB-CB 4.33Å; Q178-I202 HydrophobicContact CB-CD1 4.41Å; Q178-I202 HydrophobicContact CG-CB 4.16Å; Q178-I202 HydrophobicContact CG-CD1 4.29Å; Q178-I202 HydrophobicContact CG-CG2 4.37Å; A179-I202 CarbonylContact C-O 2.99Å; A179-I202 PolarHBondContact N-O 3.42Å; D180-I202 HydrophobicContact CB-CG2 4.16Å; V200-I202 HydrophobicContact CG1-CD1 4.24Å; V200-I202 HydrophobicContact CG1-CG1 3.99Å; I202-N204 WeakPolarHBondContact CG2-OD1 3.01Å; I202-D225 HydrophobicContact CG2-CB 4.33Å
203	L	96.2	Very high	93	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.			trans	-134.6	15.6	-173.4	-76.4	167.6	0	0	0	112.7	L163 A179 I184 I187 F192 L201 N206 I208 D225 L226 N229	L163-L203 HydrophobicContact CD1-CD2 4.43Å; A179-L203 HydrophobicContact CB-CD2 3.93Å; I184-L203 HydrophobicContact CD1-CD2 4.26Å; I187-L203 HydrophobicContact CD1-CD1 4.09Å; I187-L203 HydrophobicContact CD1-CD2 4.4Å; F192-L203 HydrophobicContact CE2-CD1 4.38Å; F192-L203 HydrophobicContact CZ-CD1 4.34Å; L201-L203 HydrophobicContact CD1-CD1 4.07Å; L201-L203 HydrophobicContact CD1-CG 4.03Å; L201-L203 HydrophobicContact CD2-CD1 3.86Å; L201-L203 HydrophobicContact CG-CD1 3.85Å; L201-L203 HydrophobicContact CG-CG 4.13Å; L203-N206 PolarHBondContact O-ND2 3.21Å; L203-N206 VanDerWaalsContact O-ND2 3.13Å; L203-I208 HydrophobicContact CB-CD1 4.17Å; L203-I208 HydrophobicContact CD1-CD1 4.4Å; L203-I208 HydrophobicContact CD2-CD1 4.36Å; L203-D225 CarbonylContact C-O 3.14Å; L203-D225 WeakPolarHBondContact CA-O 3.44Å; L203-D225 WeakPolarHBondContact CB-O 3.42Å; L203-D225 PolarHBondContact N-O 3.09Å; L203-L226 HydrophobicContact CB-CD2 4.04Å; L203-L226 HydrophobicContact CD1-CD2 4.05Å; L203-N229 PolarHBondContact O-ND2 3.47Å
204	N	90.5	Very high	93	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.112	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	160	-179.4	64.2	-78.2	0	0	0	113.2	D180 T181 I202 N206 R227	D180-N204 VanDerWaalsContact CA-O 3.27Å; D180-N204 WeakPolarHBondContact CA-O 3.37Å; D180-N204 WeakPolarHBondContact CB-O 3.38Å; D180-N204 VanDerWaalsContact CB-OD1 3.3Å; D180-N204 WeakPolarHBondContact CB-OD1 3.15Å; T181-N204 PolarHBondContact N-O 3.42Å; I202-N204 WeakPolarHBondContact CG2-OD1 3.01Å; N204-N206 PolarHBondContact O-N 2.74Å; N204-N206 VanDerWaalsContact O-N 3.15Å; N204-N206 PolarHBondContact O-ND2 2.8Å; N204-R227 CarbonylContact C-O 3.13Å; N204-R227 WeakPolarHBondContact CA-O 3.34Å; N204-R227 HydrophobicContact CB-CB 4.18Å; N204-R227 WeakPolarHBondContact CB-O 3.46Å
205	D	87.4	Confident	93.2	Very high	47 Å²	47	40 Å²	40	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	32.5	175.2	-62.6	-67.5	0	0	0	115	R227 H431	D205-R227 PolarHBondContact N-O 3.4Å; D205-H431 IonicContact OD1-CE1 2.65Å
206	N	92.4	Very high	93.1	Very high	7 Å²	7	40 Å²	40	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-95.2	-147.1	169.1	-84.7	-81.6	0	0	0	110.3	A179 N182 F183 I184 L203 N204 I208 N229	A179-N206 PolarHBondContact O-ND2 2.82Å; N182-N206 WeakPolarHBondContact CA-OD1 3.41Å; N182-N206 WeakPolarHBondContact CB-OD1 3.31Å; N182-N206 PolarHBondContact O-OD1 2.81Å; F183-N206 PolarHBondContact N-OD1 3.02Å; I184-N206 HydrophobicContact CB-CB 4.21Å; I184-N206 VanDerWaalsContact CB-OD1 3.27Å; I184-N206 WeakPolarHBondContact CB-OD1 3.37Å; I184-N206 WeakPolarHBondContact CD1-OD1 3.31Å; I184-N206 VanDerWaalsContact CG1-OD1 3.27Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.47Å; I184-N206 PolarHBondContact N-OD1 2.99Å; L203-N206 PolarHBondContact O-ND2 3.21Å; L203-N206 VanDerWaalsContact O-ND2 3.13Å; N204-N206 PolarHBondContact O-N 2.74Å; N204-N206 VanDerWaalsContact O-N 3.15Å; N204-N206 PolarHBondContact O-ND2 2.8Å; N206-I208 HydrophobicContact CB-CD1 4.32Å; N206-I208 HydrophobicContact CB-CG1 4.15Å; N206-N229 WeakPolarHBondContact CA-OD1 3.36Å; N206-N229 WeakPolarHBondContact CB-OD1 3.35Å
207	S	91.9	Very high	92.9	Very high	29 Å²	29	42 Å²	42	20%	0.203	20%	0.2	C	C	.	.			trans	-143.2	32.2	177	-61.8	0	0	0	0	111.8	I184 E209 N229 K381	I184-S207 CarbonylContact O-C 3.28Å; I184-S207 WeakPolarHBondContact O-CA 3.4Å; I184-S207 PolarHBondContact O-N 2.91Å; S207-E209 PolarHBondContact O-N 2.99Å; S207-N229 PolarHBondContact N-OD1 2.94Å; S207-K381 PolarHBondContact OG-NZ 3.14Å
208	I	95.4	Very high	92.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.			trans	-69.1	119.8	-171.9	-55.5	164.7	0	0	0	110.3	I184 I187 L203 N206 F210 L211 N229 K230 L231	I184-I208 HydrophobicContact CB-CG1 4.39Å; I184-I208 HydrophobicContact CG2-CG1 4.13Å; I184-I208 VanDerWaalsContact O-CG1 3.31Å; I184-I208 WeakPolarHBondContact O-CG1 3.35Å; I184-I208 PolarHBondContact O-N 3.32Å; I187-I208 HydrophobicContact CD1-CD1 3.81Å; I187-I208 HydrophobicContact CD1-CG1 4.4Å; L203-I208 HydrophobicContact CB-CD1 4.17Å; L203-I208 HydrophobicContact CD1-CD1 4.4Å; L203-I208 HydrophobicContact CD2-CD1 4.36Å; N206-I208 HydrophobicContact CB-CD1 4.32Å; N206-I208 HydrophobicContact CB-CG1 4.15Å; I208-F210 VanDerWaalsContact CG2-O 3.28Å; I208-F210 WeakPolarHBondContact CG2-O 3.45Å; I208-L211 HydrophobicContact CG2-CD2 3.98Å; I208-L211 HydrophobicContact CG2-CG 4.4Å; I208-N229 HydrophobicContact CB-CB 4.27Å; I208-N229 WeakPolarHBondContact CB-OD1 3.47Å; I208-N229 WeakPolarHBondContact CG1-OD1 3.35Å; I208-N229 PolarHBondContact N-OD1 2.87Å; I208-K230 CarbonylContact O-C 3.31Å; I208-K230 VanDerWaalsContact O-CA 3.24Å; I208-K230 WeakPolarHBondContact O-CA 3.35Å; I208-K230 WeakPolarHBondContact O-CB 3.46Å; I208-K230 PolarHBondContact O-N 3.09Å; I208-L231 HydrophobicContact CB-CD2 4.44Å; I208-L231 HydrophobicContact CG2-CD2 3.86Å; I208-L231 PolarHBondContact O-N 2.03Å
209	E	89.9	Confident	92.3	Very high	92 Å²	92	41.1 Å²	41.1	43%	0.43	20%	0.201	S	C	.	.			trans	-86	-34.2	-177.8	-66.6	174.2	-152.5	0	0	113.1	R185 S207 K230 L231	R185-E209 VanDerWaalsContact CD-OE1 3.29Å; R185-E209 WeakPolarHBondContact CD-OE1 3.48Å; R185-E209 HydrophobicContact CG-CG 4.32Å; R185-E209 WeakPolarHBondContact CG-OE1 3.24Å; S207-E209 PolarHBondContact O-N 2.99Å; E209-K230 HydrophobicContact CG-CB 4.16Å; E209-L231 WeakPolarHBondContact O-CA 3.34Å
210	F	91.3	Very high	92.2	Very high	114 Å²	114	39.7 Å²	39.7	50%	0.5	20%	0.2	S	C	.	.			trans	-151.9	161.2	178.5	62	-89.8	0	0	0	111.4	I208	I208-F210 VanDerWaalsContact CG2-O 3.28Å; I208-F210 WeakPolarHBondContact CG2-O 3.45Å
211	L	93.6	Very high	92.1	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	19%	0.192	C	C	.	.			trans	-118.5	131.8	174	-69.2	170.6	0	0	0	110.2	I187 I208 L226 L231 L234 F239	I187-L211 HydrophobicContact CD1-CD2 3.99Å; I208-L211 HydrophobicContact CG2-CD2 3.98Å; I208-L211 HydrophobicContact CG2-CG 4.4Å; L211-L226 HydrophobicContact CD1-CD1 3.65Å; L211-L226 HydrophobicContact CD1-CD2 3.91Å; L211-L226 HydrophobicContact CD1-CG 4.46Å; L211-L231 HydrophobicContact CD1-CD1 4.15Å; L211-L231 HydrophobicContact CD1-CD2 4.26Å; L211-L231 HydrophobicContact CG-CD2 3.92Å; L211-L234 HydrophobicContact CD1-CD2 3.93Å; L211-F239 HydrophobicContact CB-CD2 4.34Å; L211-F239 HydrophobicContact CB-CE2 3.82Å; L211-F239 HydrophobicContact CD1-CE2 3.67Å; L211-F239 HydrophobicContact CD1-CZ 3.79Å; L211-F239 HydrophobicContact CG-CE2 4.35Å
212	P	92.5	Very high	91.8	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.091	20%	0.204	C	C	.	.			trans	-65	145.9	-178.8	-23.1	33.1	0	0	0	114.5	I187 P189 I215	I187-P212 WeakPolarHBondContact O-CG 3.18Å; P189-P212 HydrophobicContact CB-CB 3.89Å; P189-P212 HydrophobicContact CB-CG 4.38Å; P189-P212 HydrophobicContact CG-CB 3.95Å; P189-P212 HydrophobicContact CG-CG 4.17Å; P212-I215 HydrophobicContact CB-CB 4.4Å; P212-I215 WeakPolarHBondContact O-CB 3.47Å; P212-I215 WeakPolarHBondContact O-CG2 3.45Å; P212-I215 PolarHBondContact O-N 3.11Å
213	S	88.9	Confident	91.5	Very high	61 Å²	61	41.8 Å²	41.8	43%	0.427	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	142	165.5	-51.9	0	0	0	0	110.9	I215	S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 3.2Å
214	N	89.2	Confident	91.5	Very high	56 Å²	56	41.9 Å²	41.9	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-0.5	-176.7	-58.5	-79.9	0	0	0	116.8	N193 F216 R217 G238	N193-N214 PolarHBondContact OD1-O 2.94Å; N214-F216 PolarHBondContact O-N 3.37Å; N214-R217 HydrophobicContact CB-CB 4.18Å; N214-R217 WeakPolarHBondContact O-CB 3.34Å; N214-R217 PolarHBondContact O-N 2.7Å; N214-G238 WeakPolarHBondContact CA-O 3.1Å; N214-G238 PolarHBondContact N-O 3.1Å
215	I	92.9	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26.2	-179.5	-166.6	61.8	0	0	0	114.5	I187 E188 P189 A191 F192 P212 S213 F239	I187-I215 HydrophobicContact CG2-CD1 4.14Å; I187-I215 HydrophobicContact CG2-CG1 4.48Å; E188-I215 VanDerWaalsContact O-CD1 3.25Å; E188-I215 WeakPolarHBondContact O-CD1 3.22Å; P189-I215 WeakPolarHBondContact O-CD1 3.36Å; A191-I215 HydrophobicContact CB-CD1 4.31Å; F192-I215 HydrophobicContact CD2-CD1 4.11Å; F192-I215 HydrophobicContact CD2-CG1 3.77Å; F192-I215 HydrophobicContact CE2-CG1 4.39Å; P212-I215 HydrophobicContact CB-CB 4.4Å; P212-I215 WeakPolarHBondContact O-CB 3.47Å; P212-I215 WeakPolarHBondContact O-CG2 3.45Å; P212-I215 PolarHBondContact O-N 3.11Å; S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 3.2Å; I215-F239 HydrophobicContact CG2-CD2 3.67Å; I215-F239 HydrophobicContact CG2-CE2 3.94Å
216	F	92.4	Very high	92	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	14.1	177.1	-59.6	-43.2	0	0	0	114.2	F192 L201 N214 F218 V219 L221 L224 F239 I243	F192-F216 HydrophobicContact CD2-CD1 4.32Å; F192-F216 AromaticContact CD2-CE1 3.64Å; F192-F216 HydrophobicContact CD2-CE1 3.64Å; F192-F216 HydrophobicContact CE2-CE1 4.18Å; L201-F216 HydrophobicContact CD2-CE1 3.54Å; L201-F216 HydrophobicContact CD2-CZ 3.75Å; N214-F216 PolarHBondContact O-N 3.37Å; F216-F218 PolarHBondContact O-N 2.83Å; F216-V219 HydrophobicContact CB-CB 4.22Å; F216-V219 HydrophobicContact CD1-CB 4.16Å; F216-V219 HydrophobicContact CD1-CG1 4.28Å; F216-V219 HydrophobicContact CD1-CG2 4.35Å; F216-V219 PolarHBondContact O-N 3.27Å; F216-L221 HydrophobicContact CD1-CD1 3.74Å; F216-L221 HydrophobicContact CD2-CD1 4.08Å; F216-L221 HydrophobicContact CE1-CD1 3.65Å; F216-L221 HydrophobicContact CE2-CD1 3.97Å; F216-L221 HydrophobicContact CG-CD1 3.97Å; F216-L221 HydrophobicContact CZ-CD1 3.77Å; F216-L224 HydrophobicContact CE2-CD2 3.68Å; F216-L224 HydrophobicContact CZ-CD1 4.3Å; F216-L224 HydrophobicContact CZ-CD2 4.03Å; F216-F239 AromaticContact CD2-CD2 3.92Å; F216-F239 HydrophobicContact CD2-CD2 3.92Å; F216-F239 AromaticContact CD2-CE2 3.61Å; F216-F239 HydrophobicContact CD2-CE2 3.61Å; F216-F239 HydrophobicContact CD2-CZ 4Å; F216-F239 HydrophobicContact CE2-CD2 4.11Å; F216-F239 AromaticContact CE2-CE2 3.33Å; F216-F239 HydrophobicContact CE2-CE2 3.33Å; F216-F239 AromaticContact CE2-CZ 3.59Å; F216-F239 HydrophobicContact CE2-CZ 3.59Å; F216-F239 HydrophobicContact CZ-CE2 4.36Å; F216-I243 HydrophobicContact CB-CG2 4.15Å; F216-I243 HydrophobicContact CD2-CG2 3.59Å; F216-I243 HydrophobicContact CE2-CG2 4.36Å; F216-I243 HydrophobicContact CG-CG2 4.19Å
217	R	88.6	Confident	91.9	Very high	136 Å²	136	43.3 Å²	43.3	51%	0.513	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.4	-173.7	178	169	-175.3	176.3	1.3	114.7	N214	N214-R217 HydrophobicContact CB-CB 4.18Å; N214-R217 WeakPolarHBondContact O-CB 3.34Å; N214-R217 PolarHBondContact O-N 2.7Å
218	F	88.9	Confident	91.6	Very high	115 Å²	115	42.1 Å²	42.1	50%	0.504	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	12.4	179.6	-54.1	-68.1	0	0	0	112.9	I196 F216	I196-F218 WeakPolarHBondContact CA-O 3.27Å; I196-F218 HydrophobicContact CG2-CB 4.45Å; F216-F218 PolarHBondContact O-N 2.83Å
219	V	92.7	Very high	91.6	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	20%	0.204	C	C	.	.			trans	-114.4	106.7	-165.3	-168	0	0	0	0	110	F192 L198 F216 L221	F192-V219 HydrophobicContact CB-CG2 4.18Å; F192-V219 VanDerWaalsContact O-CG2 3.26Å; F192-V219 WeakPolarHBondContact O-CG2 3.31Å; L198-V219 HydrophobicContact CB-CG1 3.81Å; L198-V219 HydrophobicContact CD2-CG1 3.83Å; L198-V219 HydrophobicContact CG-CG1 4.28Å; F216-V219 HydrophobicContact CB-CB 4.22Å; F216-V219 HydrophobicContact CD1-CB 4.16Å; F216-V219 HydrophobicContact CD1-CG1 4.28Å; F216-V219 HydrophobicContact CD1-CG2 4.35Å; F216-V219 PolarHBondContact O-N 3.27Å; V219-L221 VanDerWaalsContact C-N 3.25Å; V219-L221 HydrophobicContact CG1-CD2 4.05Å; V219-L221 HydrophobicContact CG1-CG 3.94Å; V219-L221 PolarHBondContact O-N 3.46Å
220	P	91.4	Very high	91.7	Very high	60 Å²	60	41.5 Å²	41.5	39%	0.39	20%	0.2	S	C	.	.			trans	-83.6	56	-168.5	35.5	-37.7	0	0	0	113.6	L198	L198-P220 CarbonylContact O-C 3.59Å; L198-P220 WeakPolarHBondContact O-CD 3.42Å
221	L	93.9	Very high	91.8	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.176	C	C	.	.			trans	-59.2	142.3	-174.8	-68.9	-179.5	0	0	0	113.9	L198 L201 F216 V219 L224	L198-L221 HydrophobicContact CD2-CD2 3.92Å; L198-L221 HydrophobicContact CG-CD2 3.89Å; L198-L221 PolarHBondContact O-N 3.24Å; L201-L221 HydrophobicContact CB-CD1 4.48Å; L201-L221 HydrophobicContact CB-CD2 3.89Å; L201-L221 HydrophobicContact CD2-CD1 4.41Å; F216-L221 HydrophobicContact CD1-CD1 3.74Å; F216-L221 HydrophobicContact CD2-CD1 4.08Å; F216-L221 HydrophobicContact CE1-CD1 3.65Å; F216-L221 HydrophobicContact CE2-CD1 3.97Å; F216-L221 HydrophobicContact CG-CD1 3.97Å; F216-L221 HydrophobicContact CZ-CD1 3.77Å; V219-L221 VanDerWaalsContact C-N 3.25Å; V219-L221 HydrophobicContact CG1-CD2 4.05Å; V219-L221 HydrophobicContact CG1-CG 3.94Å; V219-L221 PolarHBondContact O-N 3.46Å; L221-L224 HydrophobicContact CD1-CD1 4.48Å; L221-L224 HydrophobicContact CD1-CD2 4.28Å
222	T	91	Very high	91.8	Very high	40 Å²	40	40.3 Å²	40.3	25%	0.245	20%	0.196	C	C	.	.	S	Bend	trans	-121.9	-23.8	171.1	64.1	0	0	0	0	112.9	K199 I246 M247 E248	K199-T222 PolarHBondContact O-N 2.83Å; K199-T222 PolarHBondContact O-OG1 3.3Å; T222-I246 WeakPolarHBondContact O-CG1 3.46Å; T222-M247 WeakPolarHBondContact O-CA 3.43Å; T222-M247 WeakPolarHBondContact O-CB 3.41Å; T222-M247 PolarHBondContact O-N 2.86Å; T222-E248 PolarHBondContact O-N 3.42Å
223	H	91.1	Very high	91.7	Very high	68 Å²	68	42 Å²	42	32%	0.315	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.9	174.2	-53.2	68.5	0	0	0	109.6	K199 V200 L201 E248	K199-H223 PolarHBondContact O-N 3.33Å; V200-H223 WeakPolarHBondContact CA-O 3.38Å; V200-H223 HydrophobicContact CB-CB 4.49Å; V200-H223 HydrophobicContact CG1-CB 4.21Å; V200-H223 HydrophobicContact CG2-CB 4.15Å; L201-H223 PolarHBondContact N-O 2.89Å; H223-E248 CarbonylContact C-O 3.26Å; H223-E248 VanDerWaalsContact CA-O 3.32Å; H223-E248 WeakPolarHBondContact CA-O 3.43Å; H223-E248 HydrophobicContact CB-CB 4.4Å; H223-E248 IonicContact CD2-OE2 2.77Å
224	L	95.8	Very high	91.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	119	178.4	178.1	57.1	0	0	0	110.5	L201 F216 L221 L226 I246 E248 L249 L250	L201-L224 HydrophobicContact CB-CD1 3.95Å; L201-L224 HydrophobicContact CD2-CD1 3.92Å; L201-L224 HydrophobicContact CG-CD1 3.88Å; L201-L224 WeakPolarHBondContact O-CA 3.15Å; F216-L224 HydrophobicContact CE2-CD2 3.68Å; F216-L224 HydrophobicContact CZ-CD1 4.3Å; F216-L224 HydrophobicContact CZ-CD2 4.03Å; L221-L224 HydrophobicContact CD1-CD1 4.48Å; L221-L224 HydrophobicContact CD1-CD2 4.28Å; L224-L226 HydrophobicContact CD1-CD1 4.4Å; L224-L226 HydrophobicContact CD1-CD2 4.3Å; L224-L226 HydrophobicContact CD1-CG 4.06Å; L224-L226 HydrophobicContact CD2-CD1 3.88Å; L224-L226 HydrophobicContact CD2-CG 4.41Å; L224-L226 HydrophobicContact CG-CD1 3.99Å; L224-L226 HydrophobicContact CG-CG 4Å; L224-I246 HydrophobicContact CB-CD1 3.62Å; L224-E248 PolarHBondContact N-O 2.88Å; L224-L249 HydrophobicContact CB-CD1 3.88Å; L224-L249 HydrophobicContact CD2-CD1 3.87Å; L224-L249 HydrophobicContact CG-CD1 3.95Å; L224-L249 WeakPolarHBondContact O-CA 3.27Å; L224-L250 PolarHBondContact O-N 3.47Å
225	D	93.3	Very high	91.7	Very high	16 Å²	16	38 Å²	38	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.5	173.4	-166.1	-12	0	0	0	111	L201 I202 L203 R227 L250	L201-D225 PolarHBondContact O-N 3.36Å; I202-D225 HydrophobicContact CG2-CB 4.33Å; L203-D225 CarbonylContact C-O 3.14Å; L203-D225 WeakPolarHBondContact CA-O 3.44Å; L203-D225 WeakPolarHBondContact CB-O 3.42Å; L203-D225 PolarHBondContact N-O 3.09Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.14Å; D225-R227 IonicContact OD1-CZ 2.72Å; D225-R227 PolarHBondContact OD1-N 2.93Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.95Å; D225-R227 IonicContact OD2-CZ 2.71Å; D225-R227 VanDerWaalsContact OD2-CZ 3.29Å; D225-R227 IonicContact OD2-NE 3.07Å; D225-R227 PolarHBondContact OD2-NE 3.29Å; D225-R227 IonicContact OD2-NH2 3.58Å; D225-R227 PolarHBondContact OD2-NH2 3.2Å; D225-L250 HydrophobicContact CB-CB 4.43Å; D225-L250 HydrophobicContact CB-CD1 4.41Å
226	L	95.2	Very high	91.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.			trans	-121.4	13.6	179	-68.7	166	0	0	0	112	L203 L211 L224 N229 L231 L250 L251 N254	L203-L226 HydrophobicContact CB-CD2 4.04Å; L203-L226 HydrophobicContact CD1-CD2 4.05Å; L211-L226 HydrophobicContact CD1-CD1 3.65Å; L211-L226 HydrophobicContact CD1-CD2 3.91Å; L211-L226 HydrophobicContact CD1-CG 4.46Å; L224-L226 HydrophobicContact CD1-CD1 4.4Å; L224-L226 HydrophobicContact CD1-CD2 4.3Å; L224-L226 HydrophobicContact CD1-CG 4.06Å; L224-L226 HydrophobicContact CD2-CD1 3.88Å; L224-L226 HydrophobicContact CD2-CG 4.41Å; L224-L226 HydrophobicContact CG-CD1 3.99Å; L224-L226 HydrophobicContact CG-CG 4Å; L226-N229 WeakPolarHBondContact O-CB 3.43Å; L226-N229 PolarHBondContact O-ND2 2.83Å; L226-L231 HydrophobicContact CB-CD1 4.01Å; L226-L231 HydrophobicContact CD1-CD1 3.94Å; L226-L231 HydrophobicContact CD2-CD1 4.38Å; L226-L231 HydrophobicContact CG-CD1 4.34Å; L226-L250 PolarHBondContact N-O 3.29Å; L226-L251 HydrophobicContact CB-CD2 4.35Å; L226-L251 HydrophobicContact CD1-CD2 3.89Å; L226-N254 PolarHBondContact O-ND2 3.31Å
227	R	89.3	Confident	90.9	Very high	89 Å²	89	46.9 Å²	46.9	34%	0.336	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	148.7	-171.9	-70.1	178.4	-66.7	159.5	4.7	114	N204 D205 D225 N229 L250 E252	N204-R227 CarbonylContact C-O 3.13Å; N204-R227 WeakPolarHBondContact CA-O 3.34Å; N204-R227 HydrophobicContact CB-CB 4.18Å; N204-R227 WeakPolarHBondContact CB-O 3.46Å; D205-R227 PolarHBondContact N-O 3.4Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.14Å; D225-R227 IonicContact OD1-CZ 2.72Å; D225-R227 PolarHBondContact OD1-N 2.93Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.95Å; D225-R227 IonicContact OD2-CZ 2.71Å; D225-R227 VanDerWaalsContact OD2-CZ 3.29Å; D225-R227 IonicContact OD2-NE 3.07Å; D225-R227 PolarHBondContact OD2-NE 3.29Å; D225-R227 IonicContact OD2-NH2 3.58Å; D225-R227 PolarHBondContact OD2-NH2 3.2Å; R227-N229 PolarHBondContact O-N 2.04Å; R227-N229 PolarHBondContact O-ND2 3.01Å; R227-L250 HydrophobicContact CG-CB 3.75Å; R227-E252 VanDerWaalsContact CA-O 3.3Å; R227-E252 WeakPolarHBondContact CA-O 3.37Å; R227-E252 VanDerWaalsContact CD-OE2 3.25Å; R227-E252 WeakPolarHBondContact CD-OE2 3.43Å; R227-E252 HydrophobicContact CG-CB 3.87Å; R227-E252 HydrophobicContact CG-CG 4.25Å; R227-E252 IonicContact NH1-OE2 2.64Å
228	G	87.1	Confident	90.4	Very high	4 Å²	4	40.4 Å²	40.4	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	5.8	173.6	0	0	0	0	0	115.7	E252 D253 K429	G228-E252 PolarHBondContact N-O 3.07Å; G228-E252 VanDerWaalsContact N-O 3.1Å; G228-D253 CarbonylContact C-O 3.06Å; G228-D253 WeakPolarHBondContact CA-O 3.31Å; G228-D253 PolarHBondContact N-O 3.28Å; G228-K429 PolarHBondContact O-NZ 3.14Å
229	N	94.3	Very high	90.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.178	C	C	.	.	S	Bend	trans	-81.1	-158.7	178.5	-81.6	-73.7	0	0	0	112.1	L203 N206 S207 I208 L226 R227 L231 N254	L203-N229 PolarHBondContact O-ND2 3.47Å; N206-N229 WeakPolarHBondContact CA-OD1 3.36Å; N206-N229 WeakPolarHBondContact CB-OD1 3.35Å; S207-N229 PolarHBondContact N-OD1 2.94Å; I208-N229 HydrophobicContact CB-CB 4.27Å; I208-N229 WeakPolarHBondContact CB-OD1 3.47Å; I208-N229 WeakPolarHBondContact CG1-OD1 3.35Å; I208-N229 PolarHBondContact N-OD1 2.87Å; L226-N229 WeakPolarHBondContact O-CB 3.43Å; L226-N229 PolarHBondContact O-ND2 2.83Å; R227-N229 PolarHBondContact O-N 2.04Å; R227-N229 PolarHBondContact O-ND2 3.01Å; N229-L231 HydrophobicContact CB-CG 4.43Å; N229-N254 WeakPolarHBondContact CA-OD1 3.43Å; N229-N254 WeakPolarHBondContact CB-OD1 3.24Å
230	K	92.6	Very high	90.2	Very high	78 Å²	78	34.8 Å²	34.8	34%	0.339	18%	0.177	S	C	.	.			trans	-124.9	24.4	-176.7	-71.1	-58.9	-172	-171.5	0	113.6	I208 E209 Q232 N254 D255	I208-K230 CarbonylContact O-C 3.31Å; I208-K230 VanDerWaalsContact O-CA 3.24Å; I208-K230 WeakPolarHBondContact O-CA 3.35Å; I208-K230 WeakPolarHBondContact O-CB 3.46Å; I208-K230 PolarHBondContact O-N 3.09Å; E209-K230 HydrophobicContact CG-CB 4.16Å; K230-Q232 PolarHBondContact O-N 3.14Å; K230-N254 PolarHBondContact N-OD1 3.21Å; K230-D255 WeakPolarHBondContact CD-OD2 3.16Å; K230-D255 WeakPolarHBondContact CE-OD2 3.28Å; K230-D255 IonicContact NZ-OD1 3.91Å; K230-D255 IonicContact NZ-OD2 2.64Å; K230-D255 PolarHBondContact NZ-OD2 2.95Å
231	L	94.3	Very high	89.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.			trans	-64.8	129.5	-179.1	-57.8	173.5	0	0	0	111.6	I208 E209 L211 L226 N229 L234 N254 D255 W256	I208-L231 HydrophobicContact CB-CD2 4.44Å; I208-L231 HydrophobicContact CG2-CD2 3.86Å; I208-L231 PolarHBondContact O-N 2.03Å; E209-L231 WeakPolarHBondContact O-CA 3.34Å; L211-L231 HydrophobicContact CD1-CD1 4.15Å; L211-L231 HydrophobicContact CD1-CD2 4.26Å; L211-L231 HydrophobicContact CG-CD2 3.92Å; L226-L231 HydrophobicContact CB-CD1 4.01Å; L226-L231 HydrophobicContact CD1-CD1 3.94Å; L226-L231 HydrophobicContact CD2-CD1 4.38Å; L226-L231 HydrophobicContact CG-CD1 4.34Å; N229-L231 HydrophobicContact CB-CG 4.43Å; L231-L234 HydrophobicContact CD1-CD2 4.39Å; L231-N254 HydrophobicContact CB-CB 4.13Å; L231-N254 VanDerWaalsContact CB-OD1 3.25Å; L231-N254 WeakPolarHBondContact CB-OD1 3.46Å; L231-N254 VanDerWaalsContact CG-OD1 3.25Å; L231-N254 WeakPolarHBondContact CG-OD1 3.1Å; L231-N254 PolarHBondContact N-OD1 3.5Å; L231-D255 CarbonylContact O-C 3.19Å; L231-D255 VanDerWaalsContact O-C 3.31Å; L231-D255 PolarHBondContact O-N 3.23Å; L231-W256 HydrophobicContact CB-CH2 3.63Å; L231-W256 HydrophobicContact CB-CZ2 4.13Å; L231-W256 HydrophobicContact CB-CZ3 3.92Å; L231-W256 HydrophobicContact CD1-CH2 3.91Å; L231-W256 HydrophobicContact CD1-CZ2 4.36Å; L231-W256 HydrophobicContact CG-CH2 4.44Å; L231-W256 PolarHBondContact O-N 3.31Å
232	Q	92.1	Very high	89.5	Confident	95 Å²	95	39.5 Å²	39.5	44%	0.444	19%	0.193	S	C	.	.			trans	-99.9	-32.4	176.5	-67	176	21.9	0	0	112.4	K230 W256 I257	K230-Q232 PolarHBondContact O-N 3.14Å; Q232-W256 CarbonylContact O-C 3.54Å; Q232-W256 WeakPolarHBondContact O-CA 3.39Å; Q232-I257 HydrophobicContact CB-CD1 4.07Å; Q232-I257 HydrophobicContact CB-CG1 4.02Å; Q232-I257 HydrophobicContact CG-CD1 4.21Å; Q232-I257 HydrophobicContact CG-CG1 4.29Å; Q232-I257 PolarHBondContact O-N 3.15Å; Q232-I257 VanDerWaalsContact OE1-CD1 3.31Å
233	T	90.9	Very high	89.2	Confident	51 Å²	51	37.7 Å²	37.7	31%	0.313	18%	0.182	S	C	.	.			trans	-154.6	167.4	177.6	-171.1	0	0	0	0	110.4
234	L	92.1	Very high	88.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.182	C	C	.	.			trans	-121.6	125.3	171.6	-69.6	177.2	0	0	0	109	L211 L231 F239 L240 L251 W256 L265	L211-L234 HydrophobicContact CD1-CD2 3.93Å; L231-L234 HydrophobicContact CD1-CD2 4.39Å; L234-F239 HydrophobicContact CB-CD1 4.49Å; L234-F239 HydrophobicContact CB-CE1 4.36Å; L234-F239 HydrophobicContact CD1-CE1 4Å; L234-F239 HydrophobicContact CD2-CE1 3.92Å; L234-F239 HydrophobicContact CD2-CE2 4.46Å; L234-F239 HydrophobicContact CD2-CZ 3.81Å; L234-F239 HydrophobicContact CG-CE1 4.31Å; L234-L240 HydrophobicContact CB-CD2 4.5Å; L234-L240 HydrophobicContact CD1-CD2 4.5Å; L234-L251 HydrophobicContact CD1-CD1 4.26Å; L234-L251 HydrophobicContact CD1-CD2 3.99Å; L234-W256 HydrophobicContact CD1-CH2 4.01Å; L234-W256 HydrophobicContact CD1-CZ3 4.41Å; L234-W256 HydrophobicContact CD2-CH2 4.19Å; L234-W256 HydrophobicContact CD2-CZ3 4.45Å; L234-W256 HydrophobicContact CG-CH2 3.76Å; L234-W256 HydrophobicContact CG-CZ3 3.81Å; L234-L265 HydrophobicContact CB-CD2 4.46Å; L234-L265 HydrophobicContact CD1-CD1 3.98Å; L234-L265 HydrophobicContact CD1-CD2 4.09Å; L234-L265 HydrophobicContact CG-CD2 4.4Å
235	P	86.8	Confident	87.9	Confident	31 Å²	31	44.7 Å²	44.7	20%	0.201	22%	0.215	C	C	.	.			trans	-62.8	141.7	179.8	23.6	-30.5	0	0	0	110.8	F239 L240	P235-F239 HydrophobicContact CG-CB 3.9Å; P235-F239 HydrophobicContact CG-CG 4.33Å; P235-F239 WeakPolarHBondContact O-CB 3.41Å; P235-L240 WeakPolarHBondContact O-CG 3.46Å
236	Y	85	Confident	87.8	Confident	89 Å²	89	44 Å²	44	35%	0.349	21%	0.211	S	C	.	.	I	π-helix	trans	-73.9	-62.4	172.7	-175.1	-99	0	0	0	111.1	G238 F239 L240 E241 H264	Y236-G238 PolarHBondContact O-N 3.35Å; Y236-F239 PolarHBondContact O-N 3.29Å; Y236-F239 VanDerWaalsContact O-N 3.14Å; Y236-L240 HydrophobicContact CD2-CB 3.98Å; Y236-L240 HydrophobicContact CD2-CD1 4.04Å; Y236-L240 HydrophobicContact CE2-CB 4.41Å; Y236-L240 PolarHBondContact O-N 3.16Å; Y236-L240 VanDerWaalsContact O-N 3.14Å; Y236-E241 HydrophobicContact CD1-CG 4.09Å; Y236-E241 HydrophobicContact CE1-CG 3.57Å; Y236-E241 WeakPolarHBondContact CE1-OE1 3.15Å; Y236-E241 HydrophobicContact CE2-CG 4.49Å; Y236-H264 HydrophobicContact CD2-CB 3.83Å; Y236-H264 AromaticContact CD2-ND1 3.91Å; Y236-H264 HydrophobicContact CG-CB 4.02Å; Y236-H264 AromaticContact CG-ND1 3.64Å
237	V	82.6	Confident	87.3	Confident	99 Å²	99	47.8 Å²	47.8	60%	0.6	23%	0.23	S	C	*	.	I	π-helix	trans	-62.6	118.9	-173.4	-178.8	0	0	0	0	109.4	F239 E241	V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 2.82Å; V237-E241 WeakPolarHBondContact CA-OE2 3.42Å
238	G	78.8	Confident	87.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	77.4	0.1	179.2	0	0	0	0	0	116.4	N214 Y236 E241 H242	N214-G238 WeakPolarHBondContact CA-O 3.1Å; N214-G238 PolarHBondContact N-O 3.1Å; Y236-G238 PolarHBondContact O-N 3.35Å; G238-E241 PolarHBondContact N-OE2 3.36Å; G238-H242 WeakPolarHBondContact CA-ND1 3.29Å; G238-H242 PolarHBondContact O-ND1 3.46Å
239	F	88.9	Confident	87.4	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	23%	0.228	C	C	.	.	I	π-helix	trans	-123.3	-67.1	174.9	-179.7	-71.8	0	0	0	111	L211 I215 F216 L234 P235 Y236 V237 E241 H242 I243	L211-F239 HydrophobicContact CB-CD2 4.34Å; L211-F239 HydrophobicContact CB-CE2 3.82Å; L211-F239 HydrophobicContact CD1-CE2 3.67Å; L211-F239 HydrophobicContact CD1-CZ 3.79Å; L211-F239 HydrophobicContact CG-CE2 4.35Å; I215-F239 HydrophobicContact CG2-CD2 3.67Å; I215-F239 HydrophobicContact CG2-CE2 3.94Å; F216-F239 AromaticContact CD2-CD2 3.92Å; F216-F239 HydrophobicContact CD2-CD2 3.92Å; F216-F239 AromaticContact CD2-CE2 3.61Å; F216-F239 HydrophobicContact CD2-CE2 3.61Å; F216-F239 HydrophobicContact CD2-CZ 4Å; F216-F239 HydrophobicContact CE2-CD2 4.11Å; F216-F239 AromaticContact CE2-CE2 3.33Å; F216-F239 HydrophobicContact CE2-CE2 3.33Å; F216-F239 AromaticContact CE2-CZ 3.59Å; F216-F239 HydrophobicContact CE2-CZ 3.59Å; F216-F239 HydrophobicContact CZ-CE2 4.36Å; L234-F239 HydrophobicContact CB-CD1 4.49Å; L234-F239 HydrophobicContact CB-CE1 4.36Å; L234-F239 HydrophobicContact CD1-CE1 4Å; L234-F239 HydrophobicContact CD2-CE1 3.92Å; L234-F239 HydrophobicContact CD2-CE2 4.46Å; L234-F239 HydrophobicContact CD2-CZ 3.81Å; L234-F239 HydrophobicContact CG-CE1 4.31Å; P235-F239 HydrophobicContact CG-CB 3.9Å; P235-F239 HydrophobicContact CG-CG 4.33Å; P235-F239 WeakPolarHBondContact O-CB 3.41Å; Y236-F239 PolarHBondContact O-N 3.29Å; Y236-F239 VanDerWaalsContact O-N 3.14Å; V237-F239 VanDerWaalsContact C-N 3.32Å; V237-F239 PolarHBondContact O-N 2.82Å; F239-E241 PolarHBondContact O-N 3.07Å; F239-H242 PolarHBondContact O-N 3.11Å; F239-I243 HydrophobicContact CD1-CD1 4.41Å; F239-I243 HydrophobicContact CE1-CD1 3.93Å; F239-I243 PolarHBondContact O-N 2.86Å; F239-I243 VanDerWaalsContact O-N 3.12Å
240	L	87.2	Confident	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-62.3	-34.4	-180	-66.3	177	0	0	0	111.9	L234 P235 Y236 H242 I243 H264 L265 W268	L234-L240 HydrophobicContact CB-CD2 4.5Å; L234-L240 HydrophobicContact CD1-CD2 4.5Å; P235-L240 WeakPolarHBondContact O-CG 3.46Å; Y236-L240 HydrophobicContact CD2-CB 3.98Å; Y236-L240 HydrophobicContact CD2-CD1 4.04Å; Y236-L240 HydrophobicContact CE2-CB 4.41Å; Y236-L240 PolarHBondContact O-N 3.16Å; Y236-L240 VanDerWaalsContact O-N 3.14Å; L240-H242 VanDerWaalsContact C-N 3.26Å; L240-H242 PolarHBondContact O-N 3.36Å; L240-I243 HydrophobicContact CD2-CD1 4.09Å; L240-I243 HydrophobicContact CD2-CG1 4.44Å; L240-H264 HydrophobicContact CD1-CB 4.48Å; L240-L265 HydrophobicContact CD1-CB 4.13Å; L240-L265 HydrophobicContact CD1-CD1 4.34Å; L240-L265 HydrophobicContact CD2-CD1 3.94Å; L240-W268 HydrophobicContact CB-CB 4.43Å; L240-W268 HydrophobicContact CB-CD2 4.48Å; L240-W268 HydrophobicContact CB-CG 3.97Å; L240-W268 HydrophobicContact CD1-CB 4.13Å; L240-W268 HydrophobicContact CD1-CG 4.38Å; L240-W268 HydrophobicContact CD2-CD2 3.91Å; L240-W268 HydrophobicContact CD2-CE3 4.11Å; L240-W268 HydrophobicContact CD2-CG 4.15Å; L240-W268 HydrophobicContact CG-CG 4.39Å; L240-W268 PolarHBondContact O-NE1 3.03Å
241	E	85	Confident	87.2	Confident	97 Å²	97	44.3 Å²	44.3	45%	0.453	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.2	173.2	-63.5	177.6	133.2	0	0	113.4	Y236 V237 G238 F239	Y236-E241 HydrophobicContact CD1-CG 4.09Å; Y236-E241 HydrophobicContact CE1-CG 3.57Å; Y236-E241 WeakPolarHBondContact CE1-OE1 3.15Å; Y236-E241 HydrophobicContact CE2-CG 4.49Å; V237-E241 WeakPolarHBondContact CA-OE2 3.42Å; G238-E241 PolarHBondContact N-OE2 3.36Å; F239-E241 PolarHBondContact O-N 3.07Å
242	H	85.8	Confident	86.7	Confident	66 Å²	66	46.6 Å²	46.6	31%	0.306	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-33.6	-176.4	-64.7	126.1	0	0	0	113	G238 F239 L240 G244	G238-H242 WeakPolarHBondContact CA-ND1 3.29Å; G238-H242 PolarHBondContact O-ND1 3.46Å; F239-H242 PolarHBondContact O-N 3.11Å; L240-H242 VanDerWaalsContact C-N 3.26Å; L240-H242 PolarHBondContact O-N 3.36Å; H242-G244 VanDerWaalsContact C-N 3.25Å; H242-G244 PolarHBondContact O-N 2.69Å
243	I	86.1	Confident	86.4	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.219	C	C	.	.			trans	-81.2	7.9	178.5	66.1	157.9	0	0	0	114.5	F216 F239 L240 R245 I246 L249 W268	F216-I243 HydrophobicContact CB-CG2 4.15Å; F216-I243 HydrophobicContact CD2-CG2 3.59Å; F216-I243 HydrophobicContact CE2-CG2 4.36Å; F216-I243 HydrophobicContact CG-CG2 4.19Å; F239-I243 HydrophobicContact CD1-CD1 4.41Å; F239-I243 HydrophobicContact CE1-CD1 3.93Å; F239-I243 PolarHBondContact O-N 2.86Å; F239-I243 VanDerWaalsContact O-N 3.12Å; L240-I243 HydrophobicContact CD2-CD1 4.09Å; L240-I243 HydrophobicContact CD2-CG1 4.44Å; I243-R245 PolarHBondContact O-N 2.95Å; I243-I246 WeakPolarHBondContact O-CB 3.33Å; I243-I246 WeakPolarHBondContact O-CG2 3.41Å; I243-I246 PolarHBondContact O-N 3.45Å; I243-L249 HydrophobicContact CD1-CD2 4Å; I243-W268 HydrophobicContact CD1-CH2 3.84Å; I243-W268 HydrophobicContact CD1-CZ2 3.69Å; I243-W268 HydrophobicContact CG1-CH2 4.38Å; I243-W268 HydrophobicContact CG1-CZ2 3.7Å
244	G	77.5	Confident	86.4	Confident	30 Å²	30	42 Å²	42	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	20.5	179.2	0	0	0	0	0	117.1	H242	H242-G244 VanDerWaalsContact C-N 3.25Å; H242-G244 PolarHBondContact O-N 2.69Å
245	R	82.2	Confident	86.3	Confident	189 Å²	189	44.7 Å²	44.7	71%	0.713	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	5.4	170.8	-63.1	-174.4	-178.1	-179.5	3.2	113.2	I243	I243-R245 PolarHBondContact O-N 2.95Å
246	I	89.6	Confident	86.7	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.211	C	C	.	.			trans	-65	143.4	-175.8	-159.9	157.3	0	0	0	112.2	T222 L224 I243 E248 L249 W268 M272 S276	T222-I246 WeakPolarHBondContact O-CG1 3.46Å; L224-I246 HydrophobicContact CB-CD1 3.62Å; I243-I246 WeakPolarHBondContact O-CB 3.33Å; I243-I246 WeakPolarHBondContact O-CG2 3.41Å; I243-I246 PolarHBondContact O-N 3.45Å; I246-E248 WeakPolarHBondContact CD1-O 3.47Å; I246-E248 VanDerWaalsContact CG1-O 3.25Å; I246-E248 WeakPolarHBondContact CG1-O 3.3Å; I246-L249 HydrophobicContact CD1-CB 4Å; I246-L249 HydrophobicContact CD1-CD1 4.11Å; I246-L249 HydrophobicContact CD1-CG 4.5Å; I246-L249 HydrophobicContact CG1-CB 4.46Å; I246-L249 HydrophobicContact CG2-CB 4.46Å; I246-W268 HydrophobicContact CG2-CH2 3.71Å; I246-W268 HydrophobicContact CG2-CZ2 3.91Å; I246-M272 HydrophobicContact CG2-CE 3.81Å; I246-M272 WeakPolarHBondContact O-CE 3.38Å; I246-S276 WeakPolarHBondContact O-CB 3.26Å
247	M	84.5	Confident	87	Confident	78 Å²	78	41.2 Å²	41.2	38%	0.384	21%	0.205	S	C	.	.	S	Bend	trans	-102.6	-34.2	177.2	-64.3	-61.5	-54.7	0	0	111.3	T222 Q275 S276 V277	T222-M247 WeakPolarHBondContact O-CA 3.43Å; T222-M247 WeakPolarHBondContact O-CB 3.41Å; T222-M247 PolarHBondContact O-N 2.86Å; M247-Q275 HydrophobicContact CE-CB 4.31Å; M247-Q275 WeakPolarHBondContact CE-O 2.65Å; M247-S276 CarbonylContact O-C 3.3Å; M247-S276 WeakPolarHBondContact O-CA 3.48Å; M247-V277 PolarHBondContact O-N 3.23Å
248	E	86.6	Confident	87.4	Confident	74 Å²	74	36.5 Å²	36.5	35%	0.346	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.8	174.7	-170.9	170.2	-137.2	0	0	111.7	T222 H223 L224 I246 L250 V277	T222-E248 PolarHBondContact O-N 3.42Å; H223-E248 CarbonylContact C-O 3.26Å; H223-E248 VanDerWaalsContact CA-O 3.32Å; H223-E248 WeakPolarHBondContact CA-O 3.43Å; H223-E248 HydrophobicContact CB-CB 4.4Å; H223-E248 IonicContact CD2-OE2 2.77Å; L224-E248 PolarHBondContact N-O 2.88Å; I246-E248 WeakPolarHBondContact CD1-O 3.47Å; I246-E248 VanDerWaalsContact CG1-O 3.25Å; I246-E248 WeakPolarHBondContact CG1-O 3.3Å; E248-L250 HydrophobicContact CG-CD2 3.97Å; E248-L250 HydrophobicContact CG-CG 4.09Å; E248-V277 CarbonylContact C-O 3.28Å; E248-V277 VanDerWaalsContact CA-O 3.26Å; E248-V277 WeakPolarHBondContact CA-O 3.45Å; E248-V277 HydrophobicContact CG-CB 4.41Å
249	L	92.7	Very high	87.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	112.1	178.6	178.3	58.7	0	0	0	110.5	L224 I243 I246 L251 W268 V277 I278 S279	L224-L249 HydrophobicContact CB-CD1 3.88Å; L224-L249 HydrophobicContact CD2-CD1 3.87Å; L224-L249 HydrophobicContact CG-CD1 3.95Å; L224-L249 WeakPolarHBondContact O-CA 3.27Å; I243-L249 HydrophobicContact CD1-CD2 4Å; I246-L249 HydrophobicContact CD1-CB 4Å; I246-L249 HydrophobicContact CD1-CD1 4.11Å; I246-L249 HydrophobicContact CD1-CG 4.5Å; I246-L249 HydrophobicContact CG1-CB 4.46Å; I246-L249 HydrophobicContact CG2-CB 4.46Å; L249-L251 HydrophobicContact CD1-CD2 3.95Å; L249-L251 HydrophobicContact CD1-CG 4.18Å; L249-L251 HydrophobicContact CD2-CD1 3.98Å; L249-L251 HydrophobicContact CD2-CG 4.41Å; L249-L251 HydrophobicContact CG-CD1 4.02Å; L249-L251 HydrophobicContact CG-CD2 4.23Å; L249-L251 HydrophobicContact CG-CG 3.92Å; L249-W268 HydrophobicContact CD2-CH2 3.53Å; L249-W268 HydrophobicContact CD2-CZ3 3.57Å; L249-V277 PolarHBondContact N-O 2.99Å; L249-I278 HydrophobicContact CB-CG1 4.41Å; L249-I278 HydrophobicContact CB-CG2 4.3Å; L249-I278 HydrophobicContact CD2-CG2 4.35Å; L249-I278 HydrophobicContact CG-CG2 4.43Å; L249-I278 WeakPolarHBondContact O-CA 3.45Å; L249-S279 PolarHBondContact O-N 2.9Å
250	L	89.7	Confident	87.8	Confident	24 Å²	24	42 Å²	42	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120	-176.7	-50.4	-179.6	0	0	0	110.4	L224 D225 L226 R227 E248 S279	L224-L250 PolarHBondContact O-N 3.47Å; D225-L250 HydrophobicContact CB-CB 4.43Å; D225-L250 HydrophobicContact CB-CD1 4.41Å; L226-L250 PolarHBondContact N-O 3.29Å; R227-L250 HydrophobicContact CG-CB 3.75Å; E248-L250 HydrophobicContact CG-CD2 3.97Å; E248-L250 HydrophobicContact CG-CG 4.09Å; L250-S279 WeakPolarHBondContact CA-OG 3.31Å
251	L	92.4	Very high	87.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.			trans	-130.2	7.1	-167.5	-65.1	178	0	0	0	112.7	L226 L234 L249 W256 L265 S279 V281	L226-L251 HydrophobicContact CB-CD2 4.35Å; L226-L251 HydrophobicContact CD1-CD2 3.89Å; L234-L251 HydrophobicContact CD1-CD1 4.26Å; L234-L251 HydrophobicContact CD1-CD2 3.99Å; L249-L251 HydrophobicContact CD1-CD2 3.95Å; L249-L251 HydrophobicContact CD1-CG 4.18Å; L249-L251 HydrophobicContact CD2-CD1 3.98Å; L249-L251 HydrophobicContact CD2-CG 4.41Å; L249-L251 HydrophobicContact CG-CD1 4.02Å; L249-L251 HydrophobicContact CG-CD2 4.23Å; L249-L251 HydrophobicContact CG-CG 3.92Å; L251-W256 HydrophobicContact CB-CZ2 3.8Å; L251-W256 HydrophobicContact CD2-CH2 4.11Å; L251-W256 HydrophobicContact CD2-CZ2 3.9Å; L251-W256 HydrophobicContact CG-CZ2 4.27Å; L251-W256 PolarHBondContact O-NE1 3.45Å; L251-L265 HydrophobicContact CD1-CD1 4.46Å; L251-S279 PolarHBondContact N-OG 2.88Å; L251-V281 HydrophobicContact CB-CG2 4.02Å; L251-V281 HydrophobicContact CD1-CG2 3.53Å; L251-V281 HydrophobicContact CG-CG2 4.43Å
252	E	85.4	Confident	88	Confident	49 Å²	49	42.3 Å²	42.3	23%	0.229	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	158.1	-178	-47.1	179.7	133.5	0	0	111.5	R227 G228 N254 S279	R227-E252 VanDerWaalsContact CA-O 3.3Å; R227-E252 WeakPolarHBondContact CA-O 3.37Å; R227-E252 VanDerWaalsContact CD-OE2 3.25Å; R227-E252 WeakPolarHBondContact CD-OE2 3.43Å; R227-E252 HydrophobicContact CG-CB 3.87Å; R227-E252 HydrophobicContact CG-CG 4.25Å; R227-E252 IonicContact NH1-OE2 2.64Å; G228-E252 PolarHBondContact N-O 3.07Å; G228-E252 VanDerWaalsContact N-O 3.1Å; E252-N254 VanDerWaalsContact C-N 3.26Å; E252-N254 PolarHBondContact O-N 2.71Å; E252-N254 VanDerWaalsContact O-N 3.13Å; E252-N254 PolarHBondContact O-ND2 2.72Å; E252-S279 VanDerWaalsContact CG-CB 3.48Å
253	D	84.5	Confident	88.1	Confident	42 Å²	42	40.6 Å²	40.6	23%	0.225	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	40.9	170.9	-54.2	-19.8	0	0	0	115.8	G228 Y455 L477 K500	G228-D253 CarbonylContact C-O 3.06Å; G228-D253 WeakPolarHBondContact CA-O 3.31Å; G228-D253 PolarHBondContact N-O 3.28Å; D253-Y455 PolarHBondContact OD2-OH 3.09Å; D253-L477 HydrophobicContact CB-CD1 4.43Å; D253-L477 WeakPolarHBondContact OD1-CD1 3.42Å; D253-L477 WeakPolarHBondContact OD2-CD1 3.45Å; D253-K500 IonicContact OD1-NZ 2.69Å; D253-K500 PolarHBondContact OD1-NZ 3.2Å
254	N	91.9	Very high	88.2	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.043	23%	0.227	C	C	.	.	S	Bend	trans	-114	162.1	167.8	-80.1	-90.6	0	0	0	110.2	L226 N229 K230 L231 E252 W256	L226-N254 PolarHBondContact O-ND2 3.31Å; N229-N254 WeakPolarHBondContact CA-OD1 3.43Å; N229-N254 WeakPolarHBondContact CB-OD1 3.24Å; K230-N254 PolarHBondContact N-OD1 3.21Å; L231-N254 HydrophobicContact CB-CB 4.13Å; L231-N254 VanDerWaalsContact CB-OD1 3.25Å; L231-N254 WeakPolarHBondContact CB-OD1 3.46Å; L231-N254 VanDerWaalsContact CG-OD1 3.25Å; L231-N254 WeakPolarHBondContact CG-OD1 3.1Å; L231-N254 PolarHBondContact N-OD1 3.5Å; E252-N254 VanDerWaalsContact C-N 3.26Å; E252-N254 PolarHBondContact O-N 2.71Å; E252-N254 VanDerWaalsContact O-N 3.13Å; E252-N254 PolarHBondContact O-ND2 2.72Å; N254-W256 HydrophobicContact CB-CD2 4.36Å; N254-W256 HydrophobicContact CB-CZ2 3.83Å; N254-W256 PolarHBondContact O-N 3.09Å
255	D	90.2	Very high	88.8	Confident	57 Å²	57	43.5 Å²	43.5	31%	0.305	21%	0.212	S	C	.	.			trans	-92.2	47.4	-171.3	-73.6	-42.9	0	0	0	113.5	K230 L231 I257 S284	K230-D255 WeakPolarHBondContact CD-OD2 3.16Å; K230-D255 WeakPolarHBondContact CE-OD2 3.28Å; K230-D255 IonicContact NZ-OD1 3.91Å; K230-D255 IonicContact NZ-OD2 2.64Å; K230-D255 PolarHBondContact NZ-OD2 2.95Å; L231-D255 CarbonylContact O-C 3.19Å; L231-D255 VanDerWaalsContact O-C 3.31Å; L231-D255 PolarHBondContact O-N 3.23Å; D255-I257 PolarHBondContact O-N 3.5Å; D255-S284 VanDerWaalsContact C-CB 3.42Å; D255-S284 WeakPolarHBondContact O-CB 3.21Å; D255-S284 PolarHBondContact O-OG 3.33Å
256	W	93.8	Very high	89.2	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.18	C	C	.	.			trans	-52.9	120	-171.5	-59.1	107	0	0	0	116.1	L231 Q232 L234 L251 N254 L265 V281 V282 C283 S284	L231-W256 HydrophobicContact CB-CH2 3.63Å; L231-W256 HydrophobicContact CB-CZ2 4.13Å; L231-W256 HydrophobicContact CB-CZ3 3.92Å; L231-W256 HydrophobicContact CD1-CH2 3.91Å; L231-W256 HydrophobicContact CD1-CZ2 4.36Å; L231-W256 HydrophobicContact CG-CH2 4.44Å; L231-W256 PolarHBondContact O-N 3.31Å; Q232-W256 CarbonylContact O-C 3.54Å; Q232-W256 WeakPolarHBondContact O-CA 3.39Å; L234-W256 HydrophobicContact CD1-CH2 4.01Å; L234-W256 HydrophobicContact CD1-CZ3 4.41Å; L234-W256 HydrophobicContact CD2-CH2 4.19Å; L234-W256 HydrophobicContact CD2-CZ3 4.45Å; L234-W256 HydrophobicContact CG-CH2 3.76Å; L234-W256 HydrophobicContact CG-CZ3 3.81Å; L251-W256 HydrophobicContact CB-CZ2 3.8Å; L251-W256 HydrophobicContact CD2-CH2 4.11Å; L251-W256 HydrophobicContact CD2-CZ2 3.9Å; L251-W256 HydrophobicContact CG-CZ2 4.27Å; L251-W256 PolarHBondContact O-NE1 3.45Å; N254-W256 HydrophobicContact CB-CD2 4.36Å; N254-W256 HydrophobicContact CB-CZ2 3.83Å; N254-W256 PolarHBondContact O-N 3.09Å; W256-L265 HydrophobicContact CE3-CD2 4.46Å; W256-L265 HydrophobicContact CZ3-CD2 4.29Å; W256-V281 HydrophobicContact CB-CG1 4.17Å; W256-V281 HydrophobicContact CD2-CG1 3.84Å; W256-V281 HydrophobicContact CG-CG1 3.64Å; W256-V282 WeakPolarHBondContact CB-O 3.34Å; W256-C283 CarbonylContact O-C 3.58Å; W256-C283 WeakPolarHBondContact O-CA 3.34Å; W256-S284 PolarHBondContact O-N 2.9Å; W256-S284 PolarHBondContact O-OG 2.97Å; W256-S284 VanDerWaalsContact O-OG 3.11Å
257	I	90.8	Very high	89.1	Confident	45 Å²	45	36.9 Å²	36.9	23%	0.231	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-86.1	117.1	171.5	-56.2	179.9	0	0	0	108.8	Q232 D255 D259	Q232-I257 HydrophobicContact CB-CD1 4.07Å; Q232-I257 HydrophobicContact CB-CG1 4.02Å; Q232-I257 HydrophobicContact CG-CD1 4.21Å; Q232-I257 HydrophobicContact CG-CG1 4.29Å; Q232-I257 PolarHBondContact O-N 3.15Å; Q232-I257 VanDerWaalsContact OE1-CD1 3.31Å; D255-I257 PolarHBondContact O-N 3.5Å; I257-D259 HydrophobicContact CG2-CB 4.31Å; I257-D259 VanDerWaalsContact CG2-OD2 3.26Å; I257-D259 WeakPolarHBondContact CG2-OD2 3.35Å; I257-D259 PolarHBondContact O-N 3.09Å
258	C	91.9	Very high	89.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	18%	0.178	C	C	.	.			trans	-94.8	66.7	-179.4	-71	0	0	0	0	112.6	V262 C283 S285 P286 L289 L302	C258-V262 HydrophobicContact CB-CG1 4.26Å; C258-C283 HydrophobicContact CB-CB 3.67Å; C258-C283 WeakPolarHBondContact CB-SG 3.5Å; C258-C283 WeakPolarHBondContact SG-CA 3.33Å; C258-C283 WeakPolarHBondContact SG-CB 3.49Å; C258-C283 CovalentContact SG-SG 2.02Å; C258-C283 PolarHBondContact SG-SG 3.08Å; C258-S285 WeakPolarHBondContact CB-O 3.4Å; C258-S285 PolarHBondContact N-O 2.99Å; C258-P286 WeakPolarHBondContact O-CD 3.4Å; C258-L289 HydrophobicContact CB-CB 4.33Å; C258-L289 HydrophobicContact CB-CD1 4.16Å; C258-L289 VanDerWaalsContact O-CD1 3.23Å; C258-L289 WeakPolarHBondContact O-CD1 3.13Å; C258-L302 HydrophobicContact CB-CD2 4.04Å; C258-L302 WeakPolarHBondContact O-CD2 3.47Å
259	D	88.8	Confident	89.6	Confident	62 Å²	62	31.9 Å²	31.9	33%	0.332	17%	0.167	S	C	.	.	S	Bend	trans	-106.9	-151	171.5	60.1	29	0	0	0	111	I257 D261 L302	I257-D259 HydrophobicContact CG2-CB 4.31Å; I257-D259 VanDerWaalsContact CG2-OD2 3.26Å; I257-D259 WeakPolarHBondContact CG2-OD2 3.35Å; I257-D259 PolarHBondContact O-N 3.09Å; D259-D261 PolarHBondContact OD1-N 2.95Å; D259-L302 CarbonylContact C-O 3.58Å; D259-L302 WeakPolarHBondContact O-CB 3.05Å
260	C	87.6	Confident	89.3	Confident	53 Å²	53	35.9 Å²	35.9	36%	0.358	19%	0.186	S	C	.	.	S	Bend	trans	-75.6	-25.9	-177.6	-166.8	0	0	0	0	113.2	V262 L263 L302 C303	C260-V262 PolarHBondContact O-N 2.92Å; C260-L263 WeakPolarHBondContact O-CB 3.31Å; C260-L263 PolarHBondContact O-N 3.39Å; C260-L302 WeakPolarHBondContact CA-O 3.39Å; C260-L302 PolarHBondContact N-O 3.26Å; C260-C303 WeakPolarHBondContact CA-SG 3.45Å; C260-C303 HydrophobicContact CB-CB 4.06Å; C260-C303 WeakPolarHBondContact CB-SG 3.23Å; C260-C303 WeakPolarHBondContact SG-CB 3.49Å; C260-C303 CovalentContact SG-SG 2.04Å; C260-C303 PolarHBondContact SG-SG 2.93Å
261	D	85.9	Confident	89.1	Confident	105 Å²	105	40.8 Å²	40.8	56%	0.561	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-35.5	-177.7	-70.4	-14	0	0	0	110.9	D259 L263 H264	D259-D261 PolarHBondContact OD1-N 2.95Å; D261-L263 PolarHBondContact O-N 3.49Å; D261-H264 PolarHBondContact O-CD2 3.43Å
262	V	89.8	Confident	88.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.1	176.6	92.5	0	0	0	0	113.5	C258 C260 H264 L265 K266 L294 L302	C258-V262 HydrophobicContact CB-CG1 4.26Å; C260-V262 PolarHBondContact O-N 2.92Å; V262-H264 PolarHBondContact O-N 3.34Å; V262-H264 VanDerWaalsContact O-N 3.14Å; V262-L265 HydrophobicContact CG2-CB 3.97Å; V262-L265 HydrophobicContact CG2-CD2 3.9Å; V262-L265 HydrophobicContact CG2-CG 4.44Å; V262-L265 PolarHBondContact O-N 3.39Å; V262-K266 PolarHBondContact O-N 2.95Å; V262-L294 HydrophobicContact CG1-CD1 3.58Å; V262-L294 HydrophobicContact CG1-CD2 4.26Å; V262-L294 HydrophobicContact CG2-CD2 3.72Å; V262-L302 HydrophobicContact CG1-CD2 4.13Å
263	L	88.5	Confident	88.3	Confident	30 Å²	30	47 Å²	47	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-56.4	-31.2	175.4	176	61	0	0	0	111.5	C260 D261 T267 R299 L302 C303	C260-L263 WeakPolarHBondContact O-CB 3.31Å; C260-L263 PolarHBondContact O-N 3.39Å; D261-L263 PolarHBondContact O-N 3.49Å; L263-T267 VanDerWaalsContact O-CB 3.26Å; L263-T267 WeakPolarHBondContact O-CB 3.24Å; L263-T267 PolarHBondContact O-N 2.91Å; L263-T267 PolarHBondContact O-OG1 3.17Å; L263-R299 HydrophobicContact CD1-CB 4.06Å; L263-R299 HydrophobicContact CD1-CG 3.71Å; L263-L302 HydrophobicContact CB-CD1 4.46Å; L263-L302 HydrophobicContact CD1-CD1 4.12Å; L263-C303 HydrophobicContact CD2-CB 4.24Å; L263-C303 WeakPolarHBondContact CD2-SG 3.41Å
264	H	87.8	Confident	87.5	Confident	92 Å²	92	50.6 Å²	50.6	43%	0.426	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-46.9	174.8	-70.3	-76.6	0	0	0	112.7	Y236 L240 D261 V262 K266 T267 W268	Y236-H264 HydrophobicContact CD2-CB 3.83Å; Y236-H264 AromaticContact CD2-ND1 3.91Å; Y236-H264 HydrophobicContact CG-CB 4.02Å; Y236-H264 AromaticContact CG-ND1 3.64Å; L240-H264 HydrophobicContact CD1-CB 4.48Å; D261-H264 PolarHBondContact O-CD2 3.43Å; V262-H264 PolarHBondContact O-N 3.34Å; V262-H264 VanDerWaalsContact O-N 3.14Å; H264-K266 VanDerWaalsContact C-N 3.34Å; H264-K266 PolarHBondContact O-N 3.2Å; H264-T267 PolarHBondContact O-N 2.97Å; H264-W268 VanDerWaalsContact O-CB 3.31Å; H264-W268 WeakPolarHBondContact O-CB 3.28Å; H264-W268 PolarHBondContact O-N 2.94Å
265	L	91.1	Very high	86.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-45.5	174.2	175.6	57.5	0	0	0	110.7	L234 L240 L251 W256 V262 T267 W268 M269 V281 L294	L234-L265 HydrophobicContact CB-CD2 4.46Å; L234-L265 HydrophobicContact CD1-CD1 3.98Å; L234-L265 HydrophobicContact CD1-CD2 4.09Å; L234-L265 HydrophobicContact CG-CD2 4.4Å; L240-L265 HydrophobicContact CD1-CB 4.13Å; L240-L265 HydrophobicContact CD1-CD1 4.34Å; L240-L265 HydrophobicContact CD2-CD1 3.94Å; L251-L265 HydrophobicContact CD1-CD1 4.46Å; W256-L265 HydrophobicContact CE3-CD2 4.46Å; W256-L265 HydrophobicContact CZ3-CD2 4.29Å; V262-L265 HydrophobicContact CG2-CB 3.97Å; V262-L265 HydrophobicContact CG2-CD2 3.9Å; V262-L265 HydrophobicContact CG2-CG 4.44Å; V262-L265 PolarHBondContact O-N 3.39Å; L265-T267 PolarHBondContact O-N 3.41Å; L265-W268 HydrophobicContact CD1-CE3 4.22Å; L265-W268 PolarHBondContact O-N 2.98Å; L265-M269 HydrophobicContact CD1-CG 4.17Å; L265-M269 HydrophobicContact CD1-SD 4.27Å; L265-M269 HydrophobicContact CG-SD 4.17Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.41Å; L265-M269 PolarHBondContact O-N 2.92Å; L265-V281 HydrophobicContact CD2-CG1 4.28Å; L265-V281 HydrophobicContact CD2-CG2 4.18Å; L265-L294 HydrophobicContact CB-CD2 4.37Å; L265-L294 HydrophobicContact CD2-CD2 4.14Å; L265-L294 HydrophobicContact CG-CD2 4.05Å
266	K	89.9	Confident	86.1	Confident	9 Å²	9	55.8 Å²	55.8	4%	0.039	30%	0.296	C	S	.	.	H	α-helix	trans	-56.7	-49.6	174.2	-174.8	172.9	-155.1	-90.7	0	112.4	V262 H264 W268 M269 E270 L294 A295 V297 L302	V262-K266 PolarHBondContact O-N 2.95Å; H264-K266 VanDerWaalsContact C-N 3.34Å; H264-K266 PolarHBondContact O-N 3.2Å; K266-W268 VanDerWaalsContact C-N 3.27Å; K266-W268 PolarHBondContact O-N 3.07Å; K266-M269 PolarHBondContact O-N 2.76Å; K266-E270 IonicContact NZ-OE1 3.66Å; K266-E270 PolarHBondContact NZ-OE1 3.31Å; K266-E270 WeakPolarHBondContact O-CG 3.46Å; K266-E270 PolarHBondContact O-N 2.92Å; K266-L294 HydrophobicContact CB-CD1 4.02Å; K266-L294 HydrophobicContact CB-CD2 4.14Å; K266-L294 HydrophobicContact CB-CG 3.91Å; K266-L294 HydrophobicContact CD-CD1 4.26Å; K266-L294 HydrophobicContact CD-CG 4.5Å; K266-L294 WeakPolarHBondContact CD-O 3.17Å; K266-L294 WeakPolarHBondContact CE-O 3.45Å; K266-L294 HydrophobicContact CG-CD1 4.48Å; K266-L294 HydrophobicContact CG-CG 4.3Å; K266-A295 WeakPolarHBondContact CE-O 3.1Å; K266-A295 PolarHBondContact NZ-O 2.96Å; K266-V297 WeakPolarHBondContact CE-O 3.09Å; K266-V297 PolarHBondContact NZ-O 3.11Å; K266-L302 HydrophobicContact CD-CD1 3.77Å
267	T	88.3	Confident	85.4	Confident	43 Å²	43	60 Å²	60	26%	0.264	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-31.9	-177.3	-60.3	0	0	0	0	111.5	L263 H264 L265 N271 R299	L263-T267 VanDerWaalsContact O-CB 3.26Å; L263-T267 WeakPolarHBondContact O-CB 3.24Å; L263-T267 PolarHBondContact O-N 2.91Å; L263-T267 PolarHBondContact O-OG1 3.17Å; H264-T267 PolarHBondContact O-N 2.97Å; L265-T267 PolarHBondContact O-N 3.41Å; T267-N271 WeakPolarHBondContact O-CB 3.33Å; T267-N271 PolarHBondContact O-N 2.99Å; T267-N271 PolarHBondContact O-ND2 2.98Å; T267-R299 PolarHBondContact OG1-NH2 2.85Å
268	W	90.3	Very high	85.3	Confident	23 Å²	23	59.5 Å²	59.5	9%	0.087	32%	0.319	C	S	.	.	H	α-helix	trans	-69.6	-46.4	172.5	177.8	93.4	0	0	0	111.6	L240 I243 I246 L249 H264 L265 K266 E270 N271 M272 I278	L240-W268 HydrophobicContact CB-CB 4.43Å; L240-W268 HydrophobicContact CB-CD2 4.48Å; L240-W268 HydrophobicContact CB-CG 3.97Å; L240-W268 HydrophobicContact CD1-CB 4.13Å; L240-W268 HydrophobicContact CD1-CG 4.38Å; L240-W268 HydrophobicContact CD2-CD2 3.91Å; L240-W268 HydrophobicContact CD2-CE3 4.11Å; L240-W268 HydrophobicContact CD2-CG 4.15Å; L240-W268 HydrophobicContact CG-CG 4.39Å; L240-W268 PolarHBondContact O-NE1 3.03Å; I243-W268 HydrophobicContact CD1-CH2 3.84Å; I243-W268 HydrophobicContact CD1-CZ2 3.69Å; I243-W268 HydrophobicContact CG1-CH2 4.38Å; I243-W268 HydrophobicContact CG1-CZ2 3.7Å; I246-W268 HydrophobicContact CG2-CH2 3.71Å; I246-W268 HydrophobicContact CG2-CZ2 3.91Å; L249-W268 HydrophobicContact CD2-CH2 3.53Å; L249-W268 HydrophobicContact CD2-CZ3 3.57Å; H264-W268 VanDerWaalsContact O-CB 3.31Å; H264-W268 WeakPolarHBondContact O-CB 3.28Å; H264-W268 PolarHBondContact O-N 2.94Å; L265-W268 HydrophobicContact CD1-CE3 4.22Å; L265-W268 PolarHBondContact O-N 2.98Å; K266-W268 VanDerWaalsContact C-N 3.27Å; K266-W268 PolarHBondContact O-N 3.07Å; W268-E270 PolarHBondContact O-N 2.81Å; W268-N271 PolarHBondContact O-N 2.89Å; W268-M272 HydrophobicContact CZ2-SD 4.23Å; W268-M272 PolarHBondContact O-N 3.46Å; W268-M272 VanDerWaalsContact O-N 3.17Å; W268-I278 HydrophobicContact CH2-CD1 4.2Å; W268-I278 HydrophobicContact CZ3-CD1 3.79Å
269	M	89.8	Confident	84.8	Confident	24 Å²	24	60 Å²	60	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-46.7	176.6	-69.7	171.5	78.7	0	0	112.1	L265 K266 N271 M272 I278 V281 L294	L265-M269 HydrophobicContact CD1-CG 4.17Å; L265-M269 HydrophobicContact CD1-SD 4.27Å; L265-M269 HydrophobicContact CG-SD 4.17Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.41Å; L265-M269 PolarHBondContact O-N 2.92Å; K266-M269 PolarHBondContact O-N 2.76Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.39Å; M269-M272 PolarHBondContact O-N 3.29Å; M269-I278 HydrophobicContact CB-CD1 4.48Å; M269-I278 HydrophobicContact CE-CG2 3.75Å; M269-I278 HydrophobicContact CG-CD1 4.33Å; M269-I278 HydrophobicContact CG-CG2 4.37Å; M269-V281 HydrophobicContact CE-CB 4.46Å; M269-V281 HydrophobicContact CE-CG2 3.98Å; M269-V281 HydrophobicContact SD-CB 4.39Å; M269-V281 HydrophobicContact SD-CG2 3.86Å; M269-L294 HydrophobicContact SD-CD2 4.35Å
270	E	87	Confident	84.4	Confident	85 Å²	85	59 Å²	59	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-30.8	178	-77.1	-179.8	-170.2	0	0	113.9	K266 W268 R299	K266-E270 IonicContact NZ-OE1 3.66Å; K266-E270 PolarHBondContact NZ-OE1 3.31Å; K266-E270 WeakPolarHBondContact O-CG 3.46Å; K266-E270 PolarHBondContact O-N 2.92Å; W268-E270 PolarHBondContact O-N 2.81Å; E270-R299 IonicContact OE1-CZ 2.68Å; E270-R299 IonicContact OE1-NH1 2.77Å; E270-R299 PolarHBondContact OE1-NH1 3.35Å; E270-R299 IonicContact OE1-NH2 3.56Å; E270-R299 IonicContact OE2-CZ 3.81Å; E270-R299 IonicContact OE2-NH1 3.19Å; E270-R299 PolarHBondContact OE2-NH1 3.36Å; E270-R299 IonicContact OE2-NH2 2.72Å; E270-R299 PolarHBondContact OE2-NH2 3.01Å
271	N	86.3	Confident	84.6	Confident	127 Å²	127	56.5 Å²	56.5	68%	0.679	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	0.2	-178.6	-75.6	-61.4	0	0	0	113.1	T267 W268 M269	T267-N271 WeakPolarHBondContact O-CB 3.33Å; T267-N271 PolarHBondContact O-N 2.99Å; T267-N271 PolarHBondContact O-ND2 2.98Å; W268-N271 PolarHBondContact O-N 2.89Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.39Å
272	M	82.8	Confident	84.6	Confident	31 Å²	31	51.8 Å²	51.8	15%	0.153	28%	0.275	C	S	.	.	S	Bend	trans	-77.3	162.3	-178.5	-159.8	54.5	-175.5	0	0	111.6	I246 W268 M269 S276 I278	I246-M272 HydrophobicContact CG2-CE 3.81Å; I246-M272 WeakPolarHBondContact O-CE 3.38Å; W268-M272 HydrophobicContact CZ2-SD 4.23Å; W268-M272 PolarHBondContact O-N 3.46Å; W268-M272 VanDerWaalsContact O-N 3.17Å; M269-M272 PolarHBondContact O-N 3.29Å; M272-S276 WeakPolarHBondContact CG-OG 2.94Å; M272-I278 HydrophobicContact CB-CD1 3.95Å; M272-I278 HydrophobicContact CG-CD1 4.01Å
273	R	76.4	Confident	84.7	Confident	149 Å²	149	51.9 Å²	51.9	56%	0.562	28%	0.276	S	S	*	.			trans	-72	140.7	-173.1	-57.2	178.3	-172.1	177	3.6	110.6	Q275 S276	R273-Q275 PolarHBondContact O-N 3.33Å; R273-S276 PolarHBondContact O-N 2.82Å; R273-S276 PolarHBondContact O-OG 2.85Å
274	A	68.8	Low	84.7	Confident	118 Å²	118	52.3 Å²	52.3	98%	0.975	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	6.1	174.3	0	0	0	0	0	115.7
275	Q	71.1	Confident	84.5	Confident	152 Å²	152	49.9 Å²	49.9	71%	0.71	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-5.6	173.2	-67.6	179.3	-40.5	0	0	113	M247 R273	M247-Q275 HydrophobicContact CE-CB 4.31Å; M247-Q275 WeakPolarHBondContact CE-O 2.65Å; R273-Q275 PolarHBondContact O-N 3.33Å
276	S	81.4	Confident	84.3	Confident	21 Å²	21	51.4 Å²	51.4	15%	0.147	28%	0.284	C	S	.	.			trans	-94.9	127.5	176.8	62.7	0	0	0	0	111.3	I246 M247 M272 R273 I278	I246-S276 WeakPolarHBondContact O-CB 3.26Å; M247-S276 CarbonylContact O-C 3.3Å; M247-S276 WeakPolarHBondContact O-CA 3.48Å; M272-S276 WeakPolarHBondContact CG-OG 2.94Å; R273-S276 PolarHBondContact O-N 2.82Å; R273-S276 PolarHBondContact O-OG 2.85Å; S276-I278 PolarHBondContact O-N 3.06Å
277	V	80	Confident	83.8	Confident	90 Å²	90	58.4 Å²	58.4	55%	0.545	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.5	171.6	-178.9	0	0	0	0	108.2	M247 E248 L249	M247-V277 PolarHBondContact O-N 3.23Å; E248-V277 CarbonylContact C-O 3.28Å; E248-V277 VanDerWaalsContact CA-O 3.26Å; E248-V277 WeakPolarHBondContact CA-O 3.45Å; E248-V277 HydrophobicContact CG-CB 4.41Å; L249-V277 PolarHBondContact N-O 2.99Å
278	I	86.9	Confident	83.5	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.179	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.3	172	-51.7	169.1	0	0	0	106.8	L249 W268 M269 M272 S276	L249-I278 HydrophobicContact CB-CG1 4.41Å; L249-I278 HydrophobicContact CB-CG2 4.3Å; L249-I278 HydrophobicContact CD2-CG2 4.35Å; L249-I278 HydrophobicContact CG-CG2 4.43Å; L249-I278 WeakPolarHBondContact O-CA 3.45Å; W268-I278 HydrophobicContact CH2-CD1 4.2Å; W268-I278 HydrophobicContact CZ3-CD1 3.79Å; M269-I278 HydrophobicContact CB-CD1 4.48Å; M269-I278 HydrophobicContact CE-CG2 3.75Å; M269-I278 HydrophobicContact CG-CD1 4.33Å; M269-I278 HydrophobicContact CG-CG2 4.37Å; M272-I278 HydrophobicContact CB-CD1 3.95Å; M272-I278 HydrophobicContact CG-CD1 4.01Å; S276-I278 PolarHBondContact O-N 3.06Å
279	S	81.8	Confident	83.2	Confident	11 Å²	11	61.9 Å²	61.9	8%	0.077	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-67.1	147.8	175	66.3	0	0	0	0	111.2	L249 L250 L251 E252 V281	L249-S279 PolarHBondContact O-N 2.9Å; L250-S279 WeakPolarHBondContact CA-OG 3.31Å; L251-S279 PolarHBondContact N-OG 2.88Å; E252-S279 VanDerWaalsContact CG-CB 3.48Å; S279-V281 PolarHBondContact O-N 3.38Å
280	D	81.9	Confident	82.9	Confident	42 Å²	42	62.6 Å²	62.6	23%	0.225	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-62.9	123.5	179.6	-82.4	-53.7	0	0	0	113	V282 I293 V555	D280-V282 VanDerWaalsContact O-CG2 3.3Å; D280-V282 WeakPolarHBondContact O-CG2 3.45Å; D280-I293 HydrophobicContact CB-CD1 4.16Å; D280-I293 HydrophobicContact CB-CG1 4.18Å; D280-I293 HydrophobicContact CB-CG2 4.1Å; D280-I293 WeakPolarHBondContact OD1-CG2 3.3Å; D280-V555 WeakPolarHBondContact OD2-CG1 3.28Å
281	V	89.9	Confident	82.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78.1	129.6	174.7	172.9	0	0	0	0	109.4	L251 W256 L265 M269 S279 L294	L251-V281 HydrophobicContact CB-CG2 4.02Å; L251-V281 HydrophobicContact CD1-CG2 3.53Å; L251-V281 HydrophobicContact CG-CG2 4.43Å; W256-V281 HydrophobicContact CB-CG1 4.17Å; W256-V281 HydrophobicContact CD2-CG1 3.84Å; W256-V281 HydrophobicContact CG-CG1 3.64Å; L265-V281 HydrophobicContact CD2-CG1 4.28Å; L265-V281 HydrophobicContact CD2-CG2 4.18Å; M269-V281 HydrophobicContact CE-CB 4.46Å; M269-V281 HydrophobicContact CE-CG2 3.98Å; M269-V281 HydrophobicContact SD-CB 4.39Å; M269-V281 HydrophobicContact SD-CG2 3.86Å; S279-V281 PolarHBondContact O-N 3.38Å; V281-L294 HydrophobicContact CB-CB 3.86Å; V281-L294 HydrophobicContact CB-CD2 4.07Å; V281-L294 HydrophobicContact CG1-CB 3.86Å; V281-L294 HydrophobicContact CG1-CD2 3.69Å; V281-L294 HydrophobicContact CG1-CG 4.42Å; V281-L294 PolarHBondContact O-N 2.82Å
282	V	87.3	Confident	82.2	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.03	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-120.7	115.1	-166.7	-170.4	0	0	0	0	111.2	W256 D280 S284 K500 Q525	W256-V282 WeakPolarHBondContact CB-O 3.34Å; D280-V282 VanDerWaalsContact O-CG2 3.3Å; D280-V282 WeakPolarHBondContact O-CG2 3.45Å; V282-S284 PolarHBondContact O-N 2.94Å; V282-K500 HydrophobicContact CG1-CD 4.28Å; V282-K500 HydrophobicContact CG2-CD 4.45Å; V282-Q525 HydrophobicContact CG1-CG 4.13Å; V282-Q525 VanDerWaalsContact CG2-NE2 3.29Å
283	C	91	Very high	82.4	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.02	28%	0.277	C	S	.	.			trans	-62.5	128.2	-176.5	-53.2	0	0	0	0	113	W256 C258 L289 G291 T292	W256-C283 CarbonylContact O-C 3.58Å; W256-C283 WeakPolarHBondContact O-CA 3.34Å; C258-C283 HydrophobicContact CB-CB 3.67Å; C258-C283 WeakPolarHBondContact CB-SG 3.5Å; C258-C283 WeakPolarHBondContact SG-CA 3.33Å; C258-C283 WeakPolarHBondContact SG-CB 3.49Å; C258-C283 CovalentContact SG-SG 2.02Å; C258-C283 PolarHBondContact SG-SG 3.08Å; C283-L289 VanDerWaalsContact CB-O 3.28Å; C283-L289 WeakPolarHBondContact CB-O 3.32Å; C283-G291 VanDerWaalsContact O-CA 3.24Å; C283-G291 WeakPolarHBondContact O-CA 3.04Å; C283-G291 PolarHBondContact O-N 3.05Å; C283-T292 PolarHBondContact N-O 3.07Å; C283-T292 PolarHBondContact SG-O 2.86Å
284	S	88.9	Confident	83.1	Confident	39 Å²	39	44.2 Å²	44.2	27%	0.273	25%	0.251	S	S	.	.			trans	-85.4	-24.1	165.3	75.9	0	0	0	0	112.4	D255 W256 V282 K290	D255-S284 VanDerWaalsContact C-CB 3.42Å; D255-S284 WeakPolarHBondContact O-CB 3.21Å; D255-S284 PolarHBondContact O-OG 3.33Å; W256-S284 PolarHBondContact O-N 2.9Å; W256-S284 PolarHBondContact O-OG 2.97Å; W256-S284 VanDerWaalsContact O-OG 3.11Å; V282-S284 PolarHBondContact O-N 2.94Å; S284-K290 WeakPolarHBondContact O-CG 2.99Å
285	S	84.5	Confident	83.9	Confident	40 Å²	40	40.4 Å²	40.4	28%	0.28	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-160.9	161.2	-166.9	-173	0	0	0	0	108	C258	C258-S285 WeakPolarHBondContact CB-O 3.4Å; C258-S285 PolarHBondContact N-O 2.99Å
286	P	86	Confident	84.5	Confident	32 Å²	32	36.7 Å²	36.7	21%	0.208	20%	0.2	C	C	.	.	S	Bend	cis	-66.9	161.5	-15.8	31.1	-36.5	0	0	0	111.8	C258 H288 L289 K290	C258-P286 WeakPolarHBondContact O-CD 3.4Å; P286-H288 WeakPolarHBondContact CG-CE1 3.48Å; P286-H288 PolarHBondContact O-N 3.36Å; P286-L289 HydrophobicContact CG-CB 4.29Å; P286-L289 HydrophobicContact CG-CD1 4.39Å; P286-L289 CarbonylContact O-C 3.43Å; P286-L289 PolarHBondContact O-N 2.99Å; P286-K290 PolarHBondContact O-N 3.21Å
287	Q	78.4	Confident	84.7	Confident	156 Å²	156	36 Å²	36	73%	0.729	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-25.1	-172.9	-63.9	-65.8	-16.1	0	0	115.2
288	H	83	Confident	85	Confident	127 Å²	127	39.1 Å²	39.1	59%	0.588	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.1	178.8	63.9	-93.9	0	0	0	114.1	P286	P286-H288 WeakPolarHBondContact CG-CE1 3.48Å; P286-H288 PolarHBondContact O-N 3.36Å
289	L	84.8	Confident	84.9	Confident	13 Å²	13	41.8 Å²	41.8	7%	0.068	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-5.8	173.5	-76.4	176.9	0	0	0	113.3	C258 C283 P286 G291 T292 V297 V301 L302	C258-L289 HydrophobicContact CB-CB 4.33Å; C258-L289 HydrophobicContact CB-CD1 4.16Å; C258-L289 VanDerWaalsContact O-CD1 3.23Å; C258-L289 WeakPolarHBondContact O-CD1 3.13Å; C283-L289 VanDerWaalsContact CB-O 3.28Å; C283-L289 WeakPolarHBondContact CB-O 3.32Å; P286-L289 HydrophobicContact CG-CB 4.29Å; P286-L289 HydrophobicContact CG-CD1 4.39Å; P286-L289 CarbonylContact O-C 3.43Å; P286-L289 PolarHBondContact O-N 2.99Å; L289-G291 PolarHBondContact O-N 2.87Å; L289-T292 WeakPolarHBondContact O-CB 3.32Å; L289-T292 WeakPolarHBondContact O-CG2 3.36Å; L289-T292 PolarHBondContact O-N 3.13Å; L289-T292 PolarHBondContact O-OG1 2.95Å; L289-V297 HydrophobicContact CD1-CG1 4.06Å; L289-V297 HydrophobicContact CD2-CB 4.5Å; L289-V297 HydrophobicContact CD2-CG1 3.56Å; L289-V297 HydrophobicContact CD2-CG2 4.06Å; L289-V297 HydrophobicContact CG-CG1 4.48Å; L289-V301 HydrophobicContact CD1-CG1 4.24Å; L289-V301 HydrophobicContact CD2-CG1 3.91Å; L289-V301 HydrophobicContact CG-CG1 4.32Å; L289-L302 HydrophobicContact CD1-CD2 3.77Å
290	K	82.9	Confident	84.9	Confident	39 Å²	39	45.5 Å²	45.5	17%	0.17	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	134.9	-177.4	-164.4	178	140.9	-61.5	0	112	S284 P286 T292 E524	S284-K290 WeakPolarHBondContact O-CG 2.99Å; P286-K290 PolarHBondContact O-N 3.21Å; K290-T292 PolarHBondContact O-N 3.37Å; K290-E524 VanDerWaalsContact C-OE2 3.28Å; K290-E524 WeakPolarHBondContact CG-OE2 3.4Å; K290-E524 IonicContact NZ-OE1 3.51Å; K290-E524 PolarHBondContact NZ-OE1 3.14Å; K290-E524 IonicContact NZ-OE2 3.99Å; K290-E524 PolarHBondContact NZ-OE2 3.39Å; K290-E524 WeakPolarHBondContact O-CG 3.29Å
291	G	76.2	Confident	85	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	0.1	-171.4	0	0	0	0	0	117.6	C283 L289 E524 Q525	C283-G291 VanDerWaalsContact O-CA 3.24Å; C283-G291 WeakPolarHBondContact O-CA 3.04Å; C283-G291 PolarHBondContact O-N 3.05Å; L289-G291 PolarHBondContact O-N 2.87Å; G291-E524 WeakPolarHBondContact CA-OE2 3.44Å; G291-E524 PolarHBondContact N-OE2 3.22Å; G291-E524 VanDerWaalsContact N-OE2 3.16Å; G291-Q525 WeakPolarHBondContact O-CG 3.47Å; G291-Q525 PolarHBondContact O-NE2 3.28Å
292	T	82.9	Confident	84.7	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.037	24%	0.238	C	C	.	.			trans	-60.4	144.7	172.3	63.3	0	0	0	0	110.2	C283 L289 K290 L294 V297 K550	C283-T292 PolarHBondContact N-O 3.07Å; C283-T292 PolarHBondContact SG-O 2.86Å; L289-T292 WeakPolarHBondContact O-CB 3.32Å; L289-T292 WeakPolarHBondContact O-CG2 3.36Å; L289-T292 PolarHBondContact O-N 3.13Å; L289-T292 PolarHBondContact O-OG1 2.95Å; K290-T292 PolarHBondContact O-N 3.37Å; T292-L294 PolarHBondContact O-N 3.36Å; T292-V297 VanDerWaalsContact OG1-CG2 3.31Å; T292-V297 WeakPolarHBondContact OG1-CG2 3.43Å; T292-K550 HydrophobicContact CG2-CD 4.46Å
293	I	87.1	Confident	84.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-68.8	120.7	173.4	-70.4	175.4	0	0	0	108.1	D280 A295 K296 V555	D280-I293 HydrophobicContact CB-CD1 4.16Å; D280-I293 HydrophobicContact CB-CG1 4.18Å; D280-I293 HydrophobicContact CB-CG2 4.1Å; D280-I293 WeakPolarHBondContact OD1-CG2 3.3Å; I293-A295 VanDerWaalsContact C-N 3.26Å; I293-A295 HydrophobicContact CG2-CB 3.95Å; I293-A295 PolarHBondContact O-N 2.99Å; I293-K296 HydrophobicContact CB-CD 4.08Å; I293-K296 HydrophobicContact CB-CG 4.16Å; I293-K296 HydrophobicContact CD1-CD 4.39Å; I293-K296 HydrophobicContact CG2-CD 4.36Å; I293-K296 HydrophobicContact CG2-CG 4.07Å; I293-K296 PolarHBondContact O-N 2.65Å; I293-V555 HydrophobicContact CD1-CB 4.14Å; I293-V555 HydrophobicContact CD1-CG1 3.82Å; I293-V555 HydrophobicContact CD1-CG2 3.68Å
294	L	89.8	Confident	83.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-49.5	-48.1	-177.8	175.8	59.9	0	0	0	111.7	V262 L265 K266 M269 V281 T292 K296 V297 L302	V262-L294 HydrophobicContact CG1-CD1 3.58Å; V262-L294 HydrophobicContact CG1-CD2 4.26Å; V262-L294 HydrophobicContact CG2-CD2 3.72Å; L265-L294 HydrophobicContact CB-CD2 4.37Å; L265-L294 HydrophobicContact CD2-CD2 4.14Å; L265-L294 HydrophobicContact CG-CD2 4.05Å; K266-L294 HydrophobicContact CB-CD1 4.02Å; K266-L294 HydrophobicContact CB-CD2 4.14Å; K266-L294 HydrophobicContact CB-CG 3.91Å; K266-L294 HydrophobicContact CD-CD1 4.26Å; K266-L294 HydrophobicContact CD-CG 4.5Å; K266-L294 WeakPolarHBondContact CD-O 3.17Å; K266-L294 WeakPolarHBondContact CE-O 3.45Å; K266-L294 HydrophobicContact CG-CD1 4.48Å; K266-L294 HydrophobicContact CG-CG 4.3Å; M269-L294 HydrophobicContact SD-CD2 4.35Å; V281-L294 HydrophobicContact CB-CB 3.86Å; V281-L294 HydrophobicContact CB-CD2 4.07Å; V281-L294 HydrophobicContact CG1-CB 3.86Å; V281-L294 HydrophobicContact CG1-CD2 3.69Å; V281-L294 HydrophobicContact CG1-CG 4.42Å; V281-L294 PolarHBondContact O-N 2.82Å; T292-L294 PolarHBondContact O-N 3.36Å; L294-K296 PolarHBondContact O-N 3.19Å; L294-V297 PolarHBondContact O-N 2.99Å; L294-V297 VanDerWaalsContact O-N 3.07Å; L294-L302 HydrophobicContact CD1-CD1 3.91Å; L294-L302 HydrophobicContact CD1-CD2 4.3Å
295	A	85.9	Confident	82.1	Confident	38 Å²	38	58.9 Å²	58.9	31%	0.314	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-52.4	-27.5	-179.2	0	0	0	0	0	114.2	K266 I293	K266-A295 WeakPolarHBondContact CE-O 3.1Å; K266-A295 PolarHBondContact NZ-O 2.96Å; I293-A295 VanDerWaalsContact C-N 3.26Å; I293-A295 HydrophobicContact CG2-CB 3.95Å; I293-A295 PolarHBondContact O-N 2.99Å
296	K	83.9	Confident	80.6	Confident	73 Å²	73	64.8 Å²	64.8	32%	0.317	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-95	-18	-176.3	-51.9	179.4	-171.6	169.8	0	113.4	I293 L294 D552 V554	I293-K296 HydrophobicContact CB-CD 4.08Å; I293-K296 HydrophobicContact CB-CG 4.16Å; I293-K296 HydrophobicContact CD1-CD 4.39Å; I293-K296 HydrophobicContact CG2-CD 4.36Å; I293-K296 HydrophobicContact CG2-CG 4.07Å; I293-K296 PolarHBondContact O-N 2.65Å; L294-K296 PolarHBondContact O-N 3.19Å; K296-D552 HydrophobicContact CB-CB 3.93Å; K296-D552 WeakPolarHBondContact CB-OD1 3.29Å; K296-D552 VanDerWaalsContact CD-CA 3.47Å; K296-D552 HydrophobicContact CD-CB 3.59Å; K296-D552 HydrophobicContact CG-CB 4.39Å; K296-D552 PolarHBondContact NZ-O 3.25Å; K296-V554 PolarHBondContact NZ-O 3.42Å
297	V	85.7	Confident	78.4	Confident	8 Å²	8	70 Å²	70	5%	0.048	34%	0.338	C	S	.	.	S	Bend	trans	-63.4	142.2	177.6	-173.4	0	0	0	0	111.7	K266 L289 T292 L294 V301 L302	K266-V297 WeakPolarHBondContact CE-O 3.09Å; K266-V297 PolarHBondContact NZ-O 3.11Å; L289-V297 HydrophobicContact CD1-CG1 4.06Å; L289-V297 HydrophobicContact CD2-CB 4.5Å; L289-V297 HydrophobicContact CD2-CG1 3.56Å; L289-V297 HydrophobicContact CD2-CG2 4.06Å; L289-V297 HydrophobicContact CG-CG1 4.48Å; T292-V297 VanDerWaalsContact OG1-CG2 3.31Å; T292-V297 WeakPolarHBondContact OG1-CG2 3.43Å; L294-V297 PolarHBondContact O-N 2.99Å; L294-V297 VanDerWaalsContact O-N 3.07Å; V297-V301 HydrophobicContact CG1-CB 4.27Å; V297-V301 HydrophobicContact CG1-CG1 4.45Å; V297-L302 HydrophobicContact CB-CG 4.49Å; V297-L302 HydrophobicContact CG1-CD1 4.38Å; V297-L302 HydrophobicContact CG1-CD2 3.93Å; V297-L302 HydrophobicContact CG1-CG 3.83Å
298	K	85.3	Confident	76.7	Confident	155 Å²	155	70.1 Å²	70.1	67%	0.674	34%	0.343	S	S	*	.			trans	-77.7	144.1	176.7	-69.7	-174.6	178.6	-175.9	0	111.9	D300 V301 L302	K298-D300 VanDerWaalsContact C-N 3.34Å; K298-D300 PolarHBondContact O-N 2.62Å; K298-V301 HydrophobicContact CB-CG2 3.97Å; K298-V301 WeakPolarHBondContact O-CB 3.2Å; K298-V301 PolarHBondContact O-N 2.83Å; K298-L302 PolarHBondContact O-N 3.32Å
299	R	84.9	Confident	74.3	Confident	91 Å²	91	72.1 Å²	72.1	34%	0.343	36%	0.357	S	S	.	.	H	α-helix	trans	-53.9	-47.8	177.8	-64.6	-165	153.4	70.8	6.7	112.4	L263 T267 E270 V301 L302 C303	L263-R299 HydrophobicContact CD1-CB 4.06Å; L263-R299 HydrophobicContact CD1-CG 3.71Å; T267-R299 PolarHBondContact OG1-NH2 2.85Å; E270-R299 IonicContact OE1-CZ 2.68Å; E270-R299 IonicContact OE1-NH1 2.77Å; E270-R299 PolarHBondContact OE1-NH1 3.35Å; E270-R299 IonicContact OE1-NH2 3.56Å; E270-R299 IonicContact OE2-CZ 3.81Å; E270-R299 IonicContact OE2-NH1 3.19Å; E270-R299 PolarHBondContact OE2-NH1 3.36Å; E270-R299 IonicContact OE2-NH2 2.72Å; E270-R299 PolarHBondContact OE2-NH2 3.01Å; R299-V301 PolarHBondContact O-N 2.85Å; R299-L302 PolarHBondContact O-N 3.49Å; R299-L302 VanDerWaalsContact O-N 3.08Å; R299-C303 PolarHBondContact O-N 2.9Å
300	D	82.3	Confident	72	Confident	88 Å²	88	77 Å²	77	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-18.7	176.3	-53.9	41.1	0	0	0	114.4	K298 P304 K307	K298-D300 VanDerWaalsContact C-N 3.34Å; K298-D300 PolarHBondContact O-N 2.62Å; D300-P304 WeakPolarHBondContact O-CA 3.4Å; D300-K307 WeakPolarHBondContact OD2-CE 3.37Å; D300-K307 IonicContact OD2-NZ 2.66Å; D300-K307 PolarHBondContact OD2-NZ 2.77Å
301	V	83.3	Confident	70.1	Confident	65 Å²	65	83.9 Å²	83.9	39%	0.394	43%	0.427	S	S	.	.	H	α-helix	trans	-94.5	-28.4	-179.9	-175.5	0	0	0	0	111.2	L289 V297 K298 R299	L289-V301 HydrophobicContact CD1-CG1 4.24Å; L289-V301 HydrophobicContact CD2-CG1 3.91Å; L289-V301 HydrophobicContact CG-CG1 4.32Å; V297-V301 HydrophobicContact CG1-CB 4.27Å; V297-V301 HydrophobicContact CG1-CG1 4.45Å; K298-V301 HydrophobicContact CB-CG2 3.97Å; K298-V301 WeakPolarHBondContact O-CB 3.2Å; K298-V301 PolarHBondContact O-N 2.83Å; R299-V301 PolarHBondContact O-N 2.85Å
302	L	84.3	Confident	67.9	Low	6 Å²	6	93.2 Å²	93.2	3%	0.031	47%	0.471	C	S	.	.	H	α-helix	trans	-76.9	-43.3	170.9	-65.6	172.7	0	0	0	111.4	C258 D259 C260 V262 L263 K266 L289 L294 V297 K298 R299	C258-L302 HydrophobicContact CB-CD2 4.04Å; C258-L302 WeakPolarHBondContact O-CD2 3.47Å; D259-L302 CarbonylContact C-O 3.58Å; D259-L302 WeakPolarHBondContact O-CB 3.05Å; C260-L302 WeakPolarHBondContact CA-O 3.39Å; C260-L302 PolarHBondContact N-O 3.26Å; V262-L302 HydrophobicContact CG1-CD2 4.13Å; L263-L302 HydrophobicContact CB-CD1 4.46Å; L263-L302 HydrophobicContact CD1-CD1 4.12Å; K266-L302 HydrophobicContact CD-CD1 3.77Å; L289-L302 HydrophobicContact CD1-CD2 3.77Å; L294-L302 HydrophobicContact CD1-CD1 3.91Å; L294-L302 HydrophobicContact CD1-CD2 4.3Å; V297-L302 HydrophobicContact CB-CG 4.49Å; V297-L302 HydrophobicContact CG1-CD1 4.38Å; V297-L302 HydrophobicContact CG1-CD2 3.93Å; V297-L302 HydrophobicContact CG1-CG 3.83Å; K298-L302 PolarHBondContact O-N 3.32Å; R299-L302 PolarHBondContact O-N 3.49Å; R299-L302 VanDerWaalsContact O-N 3.08Å
303	C	83.4	Confident	65.5	Low	8 Å²	8	96 Å²	96	5%	0.054	50%	0.5	C	S	.	.			trans	-124.7	83	178	-59.4	0	0	0	0	111.5	C260 L263 R299 F305 H306	C260-C303 WeakPolarHBondContact CA-SG 3.45Å; C260-C303 HydrophobicContact CB-CB 4.06Å; C260-C303 WeakPolarHBondContact CB-SG 3.23Å; C260-C303 WeakPolarHBondContact SG-CB 3.49Å; C260-C303 CovalentContact SG-SG 2.04Å; C260-C303 PolarHBondContact SG-SG 2.93Å; L263-C303 HydrophobicContact CD2-CB 4.24Å; L263-C303 WeakPolarHBondContact CD2-SG 3.41Å; R299-C303 PolarHBondContact O-N 2.9Å; C303-F305 PolarHBondContact O-N 2.64Å; C303-F305 VanDerWaalsContact O-N 3.13Å; C303-H306 PolarHBondContact O-N 2.9Å
304	P	68.9	Low	63.3	Low	91 Å²	91	102.1 Å²	102.1	59%	0.591	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.7	-177.9	-26.2	36.4	0	0	0	115.6	D300	D300-P304 WeakPolarHBondContact O-CA 3.4Å
305	F	59.7	Low	60.8	Low	201 Å²	201	108.1 Å²	108.1	88%	0.882	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-1.1	-173.8	-67.8	-77.9	0	0	0	115	C303 K307	C303-F305 PolarHBondContact O-N 2.64Å; C303-F305 VanDerWaalsContact O-N 3.13Å; F305-K307 VanDerWaalsContact C-N 3.29Å; F305-K307 PolarHBondContact O-N 3.18Å; F305-K307 VanDerWaalsContact O-N 3.13Å
306	H	54.3	Low	58.1	Low	164 Å²	164	111.9 Å²	111.9	76%	0.759	60%	0.603	S	S	*	*			trans	-88.9	56	179.2	-95.5	-56	0	0	0	113.8	C303	C303-H306 PolarHBondContact O-N 2.9Å
307	K	39.9	Very low	55.6	Low	142 Å²	142	115.9 Å²	115.9	62%	0.617	63%	0.625	S	S	*	*	S	Bend	trans	-124.6	135.6	157.9	-78.6	179.5	178.4	135.3	0	110	D300 F305	D300-K307 WeakPolarHBondContact OD2-CE 3.37Å; D300-K307 IonicContact OD2-NZ 2.66Å; D300-K307 PolarHBondContact OD2-NZ 2.77Å; F305-K307 VanDerWaalsContact C-N 3.29Å; F305-K307 PolarHBondContact O-N 3.18Å; F305-K307 VanDerWaalsContact O-N 3.13Å
308	D	42.8	Very low	52.7	Low	158 Å²	158	123.6 Å²	123.6	85%	0.845	67%	0.666	S	S	*	*	S	Bend	trans	63.6	75.4	171	-50.4	-32.1	0	0	0	117.4
309	L	32.7	Very low	50.1	Low	168 Å²	168	123.2 Å²	123.2	88%	0.88	67%	0.668	S	S	*	*			trans	-153.5	123.5	152.8	-114	159.2	0	0	0	111.5
310	P	36.1	Very low	47.4	Very low	117 Å²	117	125.5 Å²	125.5	76%	0.76	69%	0.692	S	S	*	*			trans	-69.9	165.3	170.5	-19.9	33.8	0	0	0	113.3	E312	P310-E312 PolarHBondContact O-N 3.13Å
311	L	42.5	Very low	44.8	Very low	182 Å²	182	127.2 Å²	127.2	95%	0.953	71%	0.705	S	S	*	*			trans	-67.9	111.6	174.8	-79.6	152.8	0	0	0	111.9
312	E	30.8	Very low	42.2	Very low	197 Å²	197	130.1 Å²	130.1	92%	0.921	72%	0.724	S	S	*	*			trans	-144.4	173.6	157.5	-128.2	167.7	-153.8	0	0	111.3	P310	P310-E312 PolarHBondContact O-N 3.13Å
313	G	32.9	Very low	39.5	Very low	63 Å²	63	135.4 Å²	135.4	65%	0.649	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-73.9	170.4	-156.7	0	0	0	0	0	117.8
314	P	38.8	Very low	36.8	Very low	130 Å²	130	140.8 Å²	140.8	84%	0.844	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79	138	-173.1	31.6	-35.4	0	0	0	113.5
315	P	38.1	Very low	35	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79	147.3	160	31.7	-29.9	0	0	0	111
316	S	28.8	Very low	33.6	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.9	149.1	178.8	53.8	0	0	0	0	113.2
317	M	31.1	Very low	32.3	Very low	157 Å²	157	139.6 Å²	139.6	77%	0.773	80%	0.803	S	S	*	*			trans	7.8	136.4	155.8	-64.7	176.7	172	0	0	119.5
318	D	26.8	Very low	31.6	Very low	170 Å²	170	139.2 Å²	139.2	91%	0.909	81%	0.813	S	S	*	*				-137.7	142.9	122.1	-113.5	-35.7	0	0	0	110.3
319	M	28.7	Very low	30.9	Very low	147 Å²	147	139.1 Å²	139.1	72%	0.724	81%	0.808	S	S	*	*			trans	-102.9	125.7	178.1	-72	-174.3	-180	0	0	110.5
320	V	29.3	Very low	31	Very low	139 Å²	139	137.4 Å²	137.4	84%	0.842	80%	0.798	S	S	*	*			trans	-102.1	109.9	166.6	-179.8	0	0	0	0	109.3
321	V	28.3	Very low	30.8	Very low	124 Å²	124	138.1 Å²	138.1	75%	0.752	80%	0.803	S	S	*	*			trans	-103.3	124.2	174.7	176.7	0	0	0	0	109.4
322	T	27.2	Very low	30	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	79%	0.793	S	S	*	*			trans	-145.3	156.5	159.5	17.7	0	0	0	0	109
323	P	29	Very low	29.9	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	79%	0.786	S	S	*	*				-104.7	159	-126.8	37.1	-38.1	0	0	0	116.9
324	S	26	Very low	29.8	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	79%	0.79	S	S	*	*			trans	-66.9	136	167.6	175.1	0	0	0	0	112.7
325	S	31.1	Very low	30.2	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.783	S	S	*	*			trans	-107.4	86.2	176.9	58.2	0	0	0	0	112.3
326	K	30	Very low	29.6	Very low	190 Å²	190	137.2 Å²	137.2	83%	0.826	78%	0.782	S	S	*	*			trans	33.5	121.7	151.4	-65.1	-174.1	176.8	-176.6	0	120.2
327	V	26.7	Very low	29.7	Very low	126 Å²	126	140.3 Å²	140.3	76%	0.764	78%	0.784	S	S	*	*			trans	-53.1	150.4	149.7	174.5	0	0	0	0	111.3	Q329	V327-Q329 HydrophobicContact CG1-CG 4.27Å
328	T	26.9	Very low	30.1	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	78%	0.776	S	S	*	*			trans	-144.6	139.1	156.3	-58.1	0	0	0	0	108.6
329	Q	27.8	Very low	30.7	Very low	156 Å²	156	135.5 Å²	135.5	73%	0.729	77%	0.771	S	S	*	*			trans	-109	139.5	-175.9	-71.2	-176.8	-12.4	0	0	112.8	V327	V327-Q329 HydrophobicContact CG1-CG 4.27Å
330	I	33.4	Very low	31.2	Very low	132 Å²	132	135.4 Å²	135.4	68%	0.677	77%	0.774	S	S	*	*			trans	34.9	127.1	131.8	-51.1	170.1	0	0	0	118.6	K332	I330-K332 HydrophobicContact CG2-CG 4.2Å
331	P	32.7	Very low	32.1	Very low	132 Å²	132	132.6 Å²	132.6	86%	0.857	76%	0.76	S	S	*	*			trans	-102.5	151.6	130.9	-16	33	0	0	0	113.5
332	K	26.1	Very low	33.3	Very low	172 Å²	172	130.5 Å²	130.5	75%	0.748	75%	0.749	S	S	*	*			trans	-92.2	151.9	-173.4	-71.1	-178.6	175.1	178.9	0	113.6	I330	I330-K332 HydrophobicContact CG2-CG 4.2Å
333	Q	29.2	Very low	35	Very low	164 Å²	164	125.9 Å²	125.9	77%	0.766	72%	0.722	S	S	*	*				31	146.7	126.7	-59.6	173.8	-27.9	0	0	118.9
334	T	29.8	Very low	36.7	Very low	121 Å²	121	124.6 Å²	124.6	74%	0.742	71%	0.707	S	S	*	*			cis	-173.7	-170.2	22.3	1.6	0	0	0	0	107.4
335	P	46.4	Very low	38.4	Very low	107 Å²	107	127 Å²	127	70%	0.695	70%	0.704	S	S	*	*			cis	-127.5	171.6	-29.1	37.7	-23.5	0	0	0	112.9
336	S	26.1	Very low	40.2	Very low	115 Å²	115	125.6 Å²	125.6	80%	0.804	69%	0.685	S	S	*	*				159.8	153	122.8	54.1	0	0	0	0	113.8
337	H	30.8	Very low	42.6	Very low	181 Å²	181	117.1 Å²	117.1	84%	0.838	65%	0.65	S	S	*	*			trans	59	107.5	173.3	-108.1	-68.5	0	0	0	120.7
338	V	39.4	Very low	45.2	Very low	102 Å²	102	111.7 Å²	111.7	62%	0.618	62%	0.617	S	S	*	*			trans	-73.1	144	158	173.9	0	0	0	0	109.4
339	P	39.5	Very low	47.9	Very low	124 Å²	124	107 Å²	107	81%	0.805	59%	0.589	S	S	*	*				-113.3	153.2	120	-9.2	28.1	0	0	0	112.6
340	D	38.7	Very low	50.5	Low	144 Å²	144	101.2 Å²	101.2	77%	0.77	56%	0.562	S	S	*	*			trans	-79	154.4	-167.7	-53.3	-88.3	0	0	0	115.1
341	S	48.4	Very low	52.8	Low	81 Å²	81	99.4 Å²	99.4	57%	0.566	55%	0.554	S	S	*	*			trans	34.8	112	166.2	-166.3	0	0	0	0	119.2	C343	S341-C343 PolarHBondContact O-N 3.3Å; S341-C343 VanDerWaalsContact O-N 3.16Å; S341-C343 PolarHBondContact OG-N 3.07Å; S341-C343 VanDerWaalsContact OG-N 3.09Å; S341-C343 PolarHBondContact OG-O 2.95Å
342	P	54.8	Low	55.1	Low	79 Å²	79	94.8 Å²	94.8	51%	0.513	52%	0.521	S	S	.	.	S	Bend	trans	-75.5	9.5	164.4	34.6	-36.4	0	0	0	113.5
343	C	62.5	Low	57.6	Low	30 Å²	30	92.4 Å²	92.4	20%	0.203	52%	0.523	C	S	.	.	S	Bend	trans	-125.3	138.7	-172.1	-160.4	0	0	0	0	112.5	S341 C347 C349	S341-C343 PolarHBondContact O-N 3.3Å; S341-C343 VanDerWaalsContact O-N 3.16Å; S341-C343 PolarHBondContact OG-N 3.07Å; S341-C343 VanDerWaalsContact OG-N 3.09Å; S341-C343 PolarHBondContact OG-O 2.95Å; C343-C347 PolarHBondContact SG-O 3.24Å; C343-C349 HydrophobicContact CB-CB 3.57Å; C343-C349 WeakPolarHBondContact CB-SG 3.34Å; C343-C349 WeakPolarHBondContact SG-CB 3.32Å; C343-C349 PolarHBondContact SG-N 2.96Å; C343-C349 CovalentContact SG-SG 2.03Å; C343-C349 PolarHBondContact SG-SG 3.01Å
344	M	65.3	Low	59.7	Low	90 Å²	90	90.9 Å²	90.9	44%	0.443	52%	0.516	S	S	.	.			trans	-85.3	148.8	177.4	-163.1	68.6	-162.4	0	0	111.3	H346 C347 I372	M344-H346 PolarHBondContact O-N 3.48Å; M344-C347 PolarHBondContact O-N 3.27Å; M344-I372 WeakPolarHBondContact CB-O 3.26Å
345	E	61.3	Low	61.8	Low	170 Å²	170	86.6 Å²	86.6	79%	0.794	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-15.5	-176	-60.9	-173.8	155.8	0	0	116.1
346	H	68.7	Low	63.6	Low	87 Å²	87	82.6 Å²	82.6	40%	0.403	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.6	-179	-58	-26.2	0	0	0	114.1	M344 R364 I366	M344-H346 PolarHBondContact O-N 3.48Å; H346-R364 WeakPolarHBondContact O-CG 3.24Å; H346-I366 HydrophobicContact CB-CD1 4.49Å
347	C	80.4	Confident	66.4	Low	12 Å²	12	77.6 Å²	77.6	8%	0.081	44%	0.435	C	S	.	.	S	Bend	trans	-130.1	148.5	-179.5	-60.4	0	0	0	0	110.9	C343 M344 M359 C361	C343-C347 PolarHBondContact SG-O 3.24Å; M344-C347 PolarHBondContact O-N 3.27Å; C347-M359 HydrophobicContact CB-CE 4.27Å; C347-C361 HydrophobicContact CB-CB 4Å; C347-C361 WeakPolarHBondContact CB-SG 3.46Å; C347-C361 WeakPolarHBondContact SG-CB 3.43Å; C347-C361 CovalentContact SG-SG 2.04Å; C347-C361 PolarHBondContact SG-SG 2.75Å
348	S	81.6	Confident	69	Low	12 Å²	12	69 Å²	69	8%	0.084	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.8	156.2	-61.3	0	0	0	0	108.4	S135 F159 M359 H360	S135-S348 WeakPolarHBondContact OG-CB 3.4Å; S135-S348 PolarHBondContact OG-OG 2.98Å; F159-S348 WeakPolarHBondContact CZ-O 3.12Å; S348-M359 WeakPolarHBondContact O-CA 3.11Å; S348-H360 PolarHBondContact N-O 2.93Å; S348-H360 PolarHBondContact O-N 3.05Å
349	C	83.4	Confident	71.3	Confident	35 Å²	35	64.1 Å²	64.1	24%	0.236	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.6	174.4	-45.1	0	0	0	0	110.6	C343 L357 L358 M359	C343-C349 HydrophobicContact CB-CB 3.57Å; C343-C349 WeakPolarHBondContact CB-SG 3.34Å; C343-C349 WeakPolarHBondContact SG-CB 3.32Å; C343-C349 PolarHBondContact SG-N 2.96Å; C343-C349 CovalentContact SG-SG 2.03Å; C343-C349 PolarHBondContact SG-SG 3.01Å; C349-L357 HydrophobicContact CB-CD1 4.12Å; C349-L358 WeakPolarHBondContact CA-O 3.21Å; C349-M359 HydrophobicContact CB-CG 4.2Å
350	H	81.1	Confident	73.4	Confident	35 Å²	35	58.7 Å²	58.7	16%	0.162	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135.4	174.7	174.6	79	0	0	0	109.6	Q137 F159 H352 L358	Q137-H350 PolarHBondContact OE1-CE1 3.37Å; Q137-H350 PolarHBondContact OE1-ND1 3.02Å; Q137-H350 VanDerWaalsContact OE1-ND1 3.11Å; F159-H350 HydrophobicContact CD1-CB 3.55Å; F159-H350 HydrophobicContact CE1-CB 3.88Å; F159-H350 HydrophobicContact CG-CB 4.18Å; H350-H352 AromaticContact NE2-CD2 3.87Å; H350-L358 PolarHBondContact N-O 2.59Å; H350-L358 PolarHBondContact O-N 3.43Å
351	N	83.5	Confident	75.6	Confident	94 Å²	94	51.9 Å²	51.9	50%	0.503	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	102.7	176.3	-166	-10.8	0	0	0	109.2
352	H	79.4	Confident	77.2	Confident	35 Å²	35	49.4 Å²	49.4	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.8	-176.6	-175.9	-99.2	0	0	0	110.4	H350 E354 A355 G356 L358	H350-H352 AromaticContact NE2-CD2 3.87Å; H352-E354 PolarHBondContact ND1-N 3.11Å; H352-E354 PolarHBondContact O-N 3.29Å; H352-A355 HydrophobicContact CB-CB 4.03Å; H352-A355 WeakPolarHBondContact ND1-CB 3.25Å; H352-A355 PolarHBondContact ND1-N 3.31Å; H352-A355 PolarHBondContact O-N 2.81Å; H352-G356 PolarHBondContact N-O 2.9Å; H352-G356 PolarHBondContact O-N 3.06Å; H352-L358 HydrophobicContact CB-CD1 3.97Å
353	P	78.7	Confident	78.2	Confident	123 Å²	123	48 Å²	48	80%	0.799	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.2	-169.9	21.7	-34.6	0	0	0	115.3
354	E	74.6	Confident	79.1	Confident	132 Å²	132	48.8 Å²	48.8	62%	0.617	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-11.6	176.3	-61.1	-174.8	177.4	0	0	114.7	R185 H352	R185-E354 IonicContact CZ-OE2 3.19Å; R185-E354 IonicContact NH1-OE2 2.62Å; R185-E354 PolarHBondContact NH1-OE2 3.43Å; R185-E354 IonicContact NH2-OE2 2.83Å; R185-E354 PolarHBondContact NH2-OE2 3.46Å; H352-E354 PolarHBondContact ND1-N 3.11Å; H352-E354 PolarHBondContact O-N 3.29Å
355	A	73.2	Confident	80	Confident	30 Å²	30	45.8 Å²	45.8	25%	0.248	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-0.4	-173.3	0	0	0	0	0	114	H352 L358 T380	H352-A355 HydrophobicContact CB-CB 4.03Å; H352-A355 WeakPolarHBondContact ND1-CB 3.25Å; H352-A355 PolarHBondContact ND1-N 3.31Å; H352-A355 PolarHBondContact O-N 2.81Å; A355-L358 HydrophobicContact CB-CD1 4.23Å; A355-L358 HydrophobicContact CB-CD2 4.41Å; A355-T380 WeakPolarHBondContact O-CB 3.13Å
356	G	83.6	Confident	81.3	Confident	24 Å²	24	38.1 Å²	38.1	25%	0.247	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75	-159.7	177.8	0	0	0	0	0	113.3	H352 L358	H352-G356 PolarHBondContact N-O 2.9Å; H352-G356 PolarHBondContact O-N 3.06Å; G356-L358 PolarHBondContact O-N 3.4Å
357	L	86	Confident	82.3	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.8	176.7	176.9	63.8	0	0	0	110.2	C349 M359 E377 P379 T380	C349-L357 HydrophobicContact CB-CD1 4.12Å; L357-M359 HydrophobicContact CG-CG 4.34Å; L357-E377 HydrophobicContact CD2-CB 4.14Å; L357-P379 HydrophobicContact CD2-CB 4.33Å; L357-P379 HydrophobicContact CG-CB 4.2Å; L357-P379 CarbonylContact O-C 3.52Å; L357-P379 WeakPolarHBondContact O-CA 3.27Å; L357-T380 PolarHBondContact O-N 3.23Å
358	L	85.1	Confident	82.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.3	-178.8	-56.3	170.9	0	0	0	108.3	F159 F183 C349 H350 H352 A355 G356 K381	F159-L358 HydrophobicContact CD1-CB 4.13Å; F159-L358 HydrophobicContact CE1-CB 4.12Å; F183-L358 HydrophobicContact CD1-CD2 4.31Å; F183-L358 HydrophobicContact CD2-CB 4.48Å; F183-L358 HydrophobicContact CD2-CD1 3.62Å; F183-L358 HydrophobicContact CD2-CG 4.43Å; F183-L358 HydrophobicContact CE1-CD2 4.07Å; F183-L358 HydrophobicContact CE2-CB 3.78Å; F183-L358 HydrophobicContact CE2-CD1 3.79Å; F183-L358 HydrophobicContact CE2-CD2 4.31Å; F183-L358 HydrophobicContact CE2-CG 4.16Å; F183-L358 HydrophobicContact CG-CD1 4.05Å; F183-L358 HydrophobicContact CZ-CB 3.89Å; F183-L358 HydrophobicContact CZ-CD1 4.35Å; F183-L358 HydrophobicContact CZ-CD2 4.04Å; F183-L358 HydrophobicContact CZ-CG 4.31Å; C349-L358 WeakPolarHBondContact CA-O 3.21Å; H350-L358 PolarHBondContact N-O 2.59Å; H350-L358 PolarHBondContact O-N 3.43Å; H352-L358 HydrophobicContact CB-CD1 3.97Å; A355-L358 HydrophobicContact CB-CD1 4.23Å; A355-L358 HydrophobicContact CB-CD2 4.41Å; G356-L358 PolarHBondContact O-N 3.4Å; L358-K381 HydrophobicContact CD2-CB 3.9Å; L358-K381 HydrophobicContact CD2-CD 3.98Å; L358-K381 HydrophobicContact CD2-CG 3.98Å
359	M	87.4	Confident	83	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.4	-175.5	-70.2	-176.9	67.5	0	0	112.6	C347 S348 C349 L357 L375 P379 K381 L382 V383	C347-M359 HydrophobicContact CB-CE 4.27Å; S348-M359 WeakPolarHBondContact O-CA 3.11Å; C349-M359 HydrophobicContact CB-CG 4.2Å; L357-M359 HydrophobicContact CG-CG 4.34Å; M359-L375 HydrophobicContact CE-CD1 3.87Å; M359-L375 HydrophobicContact CE-CD2 3.9Å; M359-L375 HydrophobicContact SD-CD1 3.47Å; M359-L375 WeakPolarHBondContact SD-CD1 3.26Å; M359-L375 HydrophobicContact SD-CD2 4.29Å; M359-P379 HydrophobicContact CG-CB 4.01Å; M359-P379 HydrophobicContact SD-CB 3.73Å; M359-P379 HydrophobicContact SD-CG 3.74Å; M359-K381 PolarHBondContact N-O 3.32Å; M359-L382 HydrophobicContact CB-CD1 3.61Å; M359-L382 HydrophobicContact CE-CD1 4.27Å; M359-L382 HydrophobicContact SD-CD1 4.31Å; M359-V383 PolarHBondContact O-N 2.87Å
360	H	83.4	Confident	83.1	Confident	10 Å²	10	44.3 Å²	44.3	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.1	170.8	-76.9	-119.3	0	0	0	109.6	F159 T181 F183 S348	F159-H360 AromaticContact CE1-CD2 3.69Å; F159-H360 HydrophobicContact CE2-CB 4.15Å; F159-H360 HydrophobicContact CZ-CB 3.76Å; F159-H360 AromaticContact CZ-CD2 3.6Å; F159-H360 AromaticContact CZ-CG 3.88Å; T181-H360 PolarHBondContact O-CE1 2.97Å; F183-H360 AromaticContact CE2-CD2 3.88Å; F183-H360 AromaticContact CE2-NE2 3.31Å; F183-H360 VanDerWaalsContact CE2-NE2 3.31Å; F183-H360 WeakPolarHBondContact CE2-NE2 3.37Å; F183-H360 AromaticContact CZ-CD2 3.7Å; F183-H360 AromaticContact CZ-NE2 3.05Å; F183-H360 WeakPolarHBondContact CZ-NE2 3.46Å; S348-H360 PolarHBondContact N-O 2.93Å; S348-H360 PolarHBondContact O-N 3.05Å
361	C	86	Confident	83.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.25	C	S	.	.			trans	-111.6	24.5	170.2	-38.4	0	0	0	0	110.3	C347 D363 I366 V383 M384 N387	C347-C361 HydrophobicContact CB-CB 4Å; C347-C361 WeakPolarHBondContact CB-SG 3.46Å; C347-C361 WeakPolarHBondContact SG-CB 3.43Å; C347-C361 CovalentContact SG-SG 2.04Å; C347-C361 PolarHBondContact SG-SG 2.75Å; C361-D363 PolarHBondContact O-N 2.92Å; C361-I366 HydrophobicContact CB-CD1 3.59Å; C361-V383 CarbonylContact C-O 3.56Å; C361-V383 PolarHBondContact N-O 3.05Å; C361-M384 HydrophobicContact CB-CG 4.18Å; C361-N387 PolarHBondContact O-ND2 3.07Å
362	Q	80.9	Confident	82.9	Confident	29 Å²	29	40.9 Å²	40.9	14%	0.136	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	128.4	-172.4	169.8	164.5	-6.7	0	0	111.6	Y108 S157 R364 V383 T385	Y108-Q362 PolarHBondContact OH-NE2 3.08Å; S157-Q362 VanDerWaalsContact CB-OE1 3.26Å; S157-Q362 PolarHBondContact OG-NE2 2.9Å; S157-Q362 PolarHBondContact OG-OE1 3.31Å; Q362-R364 PolarHBondContact O-N 2.95Å; Q362-V383 HydrophobicContact CB-CG1 4.4Å; Q362-V383 PolarHBondContact N-O 2.99Å; Q362-T385 CarbonylContact C-O 3.29Å; Q362-T385 WeakPolarHBondContact CA-O 3.44Å
363	D	77	Confident	82.7	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	30	159.7	-163.1	-3.6	0	0	0	112.9	K109 C361 T385 N387	K109-D363 VanDerWaalsContact CE-CB 3.42Å; K109-D363 WeakPolarHBondContact CE-O 3.21Å; K109-D363 WeakPolarHBondContact CE-OD1 3.33Å; K109-D363 WeakPolarHBondContact CE-OD2 3.36Å; K109-D363 PolarHBondContact NZ-O 2.69Å; K109-D363 IonicContact NZ-OD1 2.71Å; K109-D363 PolarHBondContact NZ-OD1 3.06Å; K109-D363 IonicContact NZ-OD2 2.65Å; K109-D363 PolarHBondContact NZ-OD2 3.01Å; C361-D363 PolarHBondContact O-N 2.92Å; D363-T385 PolarHBondContact N-O 2.86Å; D363-N387 PolarHBondContact N-ND2 3.23Å
364	R	81.7	Confident	82.3	Confident	47 Å²	47	42.5 Å²	42.5	18%	0.177	24%	0.236	C	C	.	.	S	Bend	trans	-91.3	1.1	176.9	-70.3	-95.8	-175.3	176.7	0.9	112.8	D111 H346 Q362 N387	D111-R364 IonicContact OD1-CZ 3.18Å; D111-R364 IonicContact OD1-NH1 2.72Å; D111-R364 PolarHBondContact OD1-NH1 3.04Å; D111-R364 IonicContact OD1-NH2 2.6Å; D111-R364 PolarHBondContact OD1-NH2 3.37Å; H346-R364 WeakPolarHBondContact O-CG 3.24Å; Q362-R364 PolarHBondContact O-N 2.95Å; R364-N387 PolarHBondContact N-OD1 3.32Å
365	G	84.1	Confident	82.2	Confident	26 Å²	26	37.1 Å²	37.1	27%	0.268	21%	0.211	S	C	.	.			trans	89	13.2	175.7	0	0	0	0	0	115.8	N387	G365-N387 PolarHBondContact N-OD1 2.95Å
366	I	88.4	Confident	82.1	Confident	9 Å²	9	44 Å²	44	5%	0.046	24%	0.238	C	C	.	.			trans	-56.3	140	-179.1	-68.7	164.3	0	0	0	111.1	H346 C361 K368 D371 I372 N387 M388 I389	H346-I366 HydrophobicContact CB-CD1 4.49Å; C361-I366 HydrophobicContact CB-CD1 3.59Å; I366-K368 WeakPolarHBondContact CG2-O 3.36Å; I366-D371 HydrophobicContact CG2-CB 4.17Å; I366-I372 HydrophobicContact CD1-CG2 3.9Å; I366-N387 HydrophobicContact CB-CB 4.13Å; I366-N387 PolarHBondContact N-OD1 3.45Å; I366-M388 CarbonylContact O-C 3.6Å; I366-M388 VanDerWaalsContact O-C 3.3Å; I366-M388 WeakPolarHBondContact O-CA 3.45Å; I366-M388 PolarHBondContact O-N 3.03Å; I366-I389 HydrophobicContact CG2-CD1 4.22Å; I366-I389 HydrophobicContact CG2-CG1 4.09Å; I366-I389 PolarHBondContact O-N 2.91Å
367	Q	89.6	Confident	81.9	Confident	118 Å²	118	47.6 Å²	47.6	55%	0.551	25%	0.249	S	C	*	.			trans	-111.6	-21.3	-175.3	-62.3	-175.7	36.4	0	0	113.4	D371 M388 I389	Q367-D371 PolarHBondContact N-OD2 3.28Å; Q367-M388 HydrophobicContact CG-CB 4.4Å; Q367-I389 WeakPolarHBondContact O-CA 3.34Å
368	K	87.9	Confident	81.9	Confident	100 Å²	100	47.8 Å²	47.8	44%	0.435	25%	0.25	S	S	.	.	S	Bend	trans	-144.1	153.5	175.1	-51.9	169.3	-171.5	164.5	0	109.4	I366 S370 D371	I366-K368 WeakPolarHBondContact CG2-O 3.36Å; K368-S370 VanDerWaalsContact CB-OG 3.31Å; K368-S370 WeakPolarHBondContact CB-OG 3.48Å; K368-S370 PolarHBondContact O-N 3.46Å; K368-D371 PolarHBondContact N-OD2 2.66Å; K368-D371 WeakPolarHBondContact O-CB 3.43Å; K368-D371 VanDerWaalsContact O-CG 3.23Å; K368-D371 PolarHBondContact O-N 2.93Å; K368-D371 VanDerWaalsContact O-N 3.11Å
369	V	88.8	Confident	82.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-61.1	-35.9	173.6	-175.3	0	0	0	0	110.7	D371 I372 M384 I389 L392 D396 F397	V369-D371 PolarHBondContact O-N 3.17Å; V369-I372 HydrophobicContact CG1-CD1 3.94Å; V369-I372 WeakPolarHBondContact O-CD1 3.18Å; V369-I372 VanDerWaalsContact O-CG1 3.22Å; V369-I372 WeakPolarHBondContact O-CG1 3.43Å; V369-I372 PolarHBondContact O-N 3.29Å; V369-M384 HydrophobicContact CG1-CE 4.15Å; V369-M384 HydrophobicContact CG1-SD 4.46Å; V369-M384 HydrophobicContact CG2-CE 4.23Å; V369-I389 HydrophobicContact CG2-CD1 4.44Å; V369-L392 HydrophobicContact CG2-CD2 3.74Å; V369-D396 HydrophobicContact CB-CB 3.74Å; V369-D396 HydrophobicContact CG1-CB 4.1Å; V369-D396 HydrophobicContact CG2-CB 4.08Å; V369-F397 HydrophobicContact CB-CZ 4.45Å; V369-F397 HydrophobicContact CG1-CD1 4.46Å; V369-F397 HydrophobicContact CG1-CE1 3.9Å; V369-F397 HydrophobicContact CG1-CZ 4.09Å; V369-F397 HydrophobicContact CG2-CE1 4.29Å; V369-F397 HydrophobicContact CG2-CE2 4.15Å; V369-F397 HydrophobicContact CG2-CZ 3.64Å
370	S	83.9	Confident	82.3	Confident	56 Å²	56	49.1 Å²	49.1	39%	0.392	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-53.5	-21.8	174.5	62.6	0	0	0	0	115.6	K368 I372 G373	K368-S370 VanDerWaalsContact CB-OG 3.31Å; K368-S370 WeakPolarHBondContact CB-OG 3.48Å; K368-S370 PolarHBondContact O-N 3.46Å; S370-I372 PolarHBondContact O-N 2.99Å; S370-G373 PolarHBondContact O-N 2.93Å
371	D	82.6	Confident	82.5	Confident	56 Å²	56	50.2 Å²	50.2	30%	0.299	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-71.3	-13.9	-176.5	-52.1	-20.1	0	0	0	112.3	I366 Q367 K368 V369 G373	I366-D371 HydrophobicContact CG2-CB 4.17Å; Q367-D371 PolarHBondContact N-OD2 3.28Å; K368-D371 PolarHBondContact N-OD2 2.66Å; K368-D371 WeakPolarHBondContact O-CB 3.43Å; K368-D371 VanDerWaalsContact O-CG 3.23Å; K368-D371 PolarHBondContact O-N 2.93Å; K368-D371 VanDerWaalsContact O-N 3.11Å; V369-D371 PolarHBondContact O-N 3.17Å; D371-G373 VanDerWaalsContact C-N 3.31Å
372	I	79.4	Confident	82.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-85.3	-1.8	174.6	76.3	-154.2	0	0	0	113.4	M344 I366 V369 S370 M384 Y400	M344-I372 WeakPolarHBondContact CB-O 3.26Å; I366-I372 HydrophobicContact CD1-CG2 3.9Å; V369-I372 HydrophobicContact CG1-CD1 3.94Å; V369-I372 WeakPolarHBondContact O-CD1 3.18Å; V369-I372 VanDerWaalsContact O-CG1 3.22Å; V369-I372 WeakPolarHBondContact O-CG1 3.43Å; V369-I372 PolarHBondContact O-N 3.29Å; S370-I372 PolarHBondContact O-N 2.99Å; I372-M384 HydrophobicContact CD1-SD 3.99Å; I372-Y400 WeakPolarHBondContact CD1-OH 3.47Å
373	G	73.9	Confident	83.1	Confident	32 Å²	32	49 Å²	49	33%	0.33	26%	0.258	S	S	.	.			trans	81.1	-170.2	178.2	0	0	0	0	0	114.8	S370 D371	S370-G373 PolarHBondContact O-N 2.93Å; D371-G373 VanDerWaalsContact C-N 3.31Å
374	I	70.3	Confident	83.7	Confident	159 Å²	159	46.7 Å²	46.7	82%	0.815	25%	0.246	S	C	*	.			trans	-97	114.6	175.4	-57.7	175.5	0	0	0	108.1
375	L	73.6	Confident	83.9	Confident	19 Å²	19	45 Å²	45	10%	0.099	24%	0.241	C	C	.	.			trans	-78.8	142.9	178.8	-54.5	178	0	0	0	111.1	M359 P379 Y400	M359-L375 HydrophobicContact CE-CD1 3.87Å; M359-L375 HydrophobicContact CE-CD2 3.9Å; M359-L375 HydrophobicContact SD-CD1 3.47Å; M359-L375 WeakPolarHBondContact SD-CD1 3.26Å; M359-L375 HydrophobicContact SD-CD2 4.29Å; L375-P379 HydrophobicContact CD1-CG 4.01Å; L375-Y400 HydrophobicContact CD1-CE1 3.55Å; L375-Y400 WeakPolarHBondContact CD1-OH 3.41Å
376	Q	69.8	Low	83.9	Confident	174 Å²	174	44.8 Å²	44.8	81%	0.813	24%	0.239	S	C	*	.	S	Bend	trans	-79.2	-25.9	176	-63.2	-176.2	9.8	0	0	112.7
377	E	80.3	Confident	83.9	Confident	101 Å²	101	44.5 Å²	44.5	47%	0.472	24%	0.237	S	C	.	.	S	Bend	trans	-127.4	140.6	175	-60.9	-169.8	157.2	0	0	109.7	L357 P379	L357-E377 HydrophobicContact CD2-CB 4.14Å; E377-P379 WeakPolarHBondContact O-CD 3.47Å
378	S	85.8	Confident	84.1	Confident	12 Å²	12	42 Å²	42	8%	0.084	23%	0.226	C	C	.	.			trans	-68.7	125.1	171.9	174.2	0	0	0	0	109.9	Y400 D401 R402	S378-Y400 WeakPolarHBondContact OG-CA 3.45Å; S378-D401 WeakPolarHBondContact CB-OD1 3.32Å; S378-D401 PolarHBondContact OG-N 3.21Å; S378-R402 PolarHBondContact OG-N 3.46Å
379	P	89.8	Confident	84.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.			trans	-65.7	152	171.9	27.7	-33.6	0	0	0	111.3	L357 M359 L375 E377 L382 Y400 L403	L357-P379 HydrophobicContact CD2-CB 4.33Å; L357-P379 HydrophobicContact CG-CB 4.2Å; L357-P379 CarbonylContact O-C 3.52Å; L357-P379 WeakPolarHBondContact O-CA 3.27Å; M359-P379 HydrophobicContact CG-CB 4.01Å; M359-P379 HydrophobicContact SD-CB 3.73Å; M359-P379 HydrophobicContact SD-CG 3.74Å; L375-P379 HydrophobicContact CD1-CG 4.01Å; E377-P379 WeakPolarHBondContact O-CD 3.47Å; P379-L382 HydrophobicContact CG-CB 4.43Å; P379-Y400 HydrophobicContact CG-CD1 3.71Å; P379-Y400 HydrophobicContact CG-CE1 3.79Å; P379-L403 HydrophobicContact CG-CD1 4.35Å; P379-L403 VanDerWaalsContact O-CA 3.25Å; P379-L403 WeakPolarHBondContact O-CA 3.27Å; P379-L403 PolarHBondContact O-N 3.15Å
380	T	90.3	Very high	84.7	Confident	30 Å²	30	41 Å²	41	18%	0.184	22%	0.223	C	C	.	.	S	Bend	trans	-87.2	-33.6	174.8	-53.1	0	0	0	0	111.1	A355 L357 E404 L405	A355-T380 WeakPolarHBondContact O-CB 3.13Å; L357-T380 PolarHBondContact O-N 3.23Å; T380-E404 HydrophobicContact CG2-CG 4.07Å; T380-E404 PolarHBondContact O-N 2.91Å; T380-L405 PolarHBondContact O-N 3.43Å
381	K	88.1	Confident	85.2	Confident	32 Å²	32	42.5 Å²	42.5	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.3	174.4	-58.5	-175.4	176.5	178.5	0	109.9	F183 S207 L358 M359 L405	F183-K381 HydrophobicContact CD1-CD 3.54Å; F183-K381 HydrophobicContact CE1-CB 3.97Å; F183-K381 HydrophobicContact CE1-CD 3.42Å; F183-K381 VanDerWaalsContact CE1-CD 3.42Å; F183-K381 HydrophobicContact CE1-CG 4.32Å; F183-K381 HydrophobicContact CZ-CB 4.48Å; S207-K381 PolarHBondContact OG-NZ 3.14Å; L358-K381 HydrophobicContact CD2-CB 3.9Å; L358-K381 HydrophobicContact CD2-CD 3.98Å; L358-K381 HydrophobicContact CD2-CG 3.98Å; M359-K381 PolarHBondContact N-O 3.32Å; K381-L405 HydrophobicContact CB-CB 4.39Å; K381-L405 HydrophobicContact CG-CB 4.09Å
382	L	90.7	Very high	85.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	116.2	-178.1	178.2	57.3	0	0	0	110.8	M359 P379 M384 Y400 L403 L405 L406 N407	M359-L382 HydrophobicContact CB-CD1 3.61Å; M359-L382 HydrophobicContact CE-CD1 4.27Å; M359-L382 HydrophobicContact SD-CD1 4.31Å; P379-L382 HydrophobicContact CG-CB 4.43Å; L382-M384 HydrophobicContact CD1-CG 3.93Å; L382-M384 HydrophobicContact CD1-SD 4.3Å; L382-M384 HydrophobicContact CD2-CE 3.66Å; L382-M384 HydrophobicContact CD2-SD 4.16Å; L382-M384 HydrophobicContact CG-CE 3.98Å; L382-M384 HydrophobicContact CG-CG 4.01Å; L382-M384 HydrophobicContact CG-SD 4.25Å; L382-Y400 HydrophobicContact CD2-CD1 4.11Å; L382-Y400 HydrophobicContact CD2-CE1 3.75Å; L382-L403 HydrophobicContact CB-CD1 3.69Å; L382-L403 HydrophobicContact CB-CD2 4.41Å; L382-L405 PolarHBondContact N-O 2.79Å; L382-L406 HydrophobicContact CB-CD1 4.41Å; L382-L406 HydrophobicContact CD2-CD1 4.19Å; L382-L406 HydrophobicContact CG-CD1 4.29Å; L382-N407 PolarHBondContact O-N 2.97Å
383	V	88.8	Confident	86.5	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.03	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.1	-178.7	-175.8	0	0	0	0	109.7	T181 M359 C361 Q362 T385 N407	T181-V383 HydrophobicContact CG2-CG1 4.03Å; M359-V383 PolarHBondContact O-N 2.87Å; C361-V383 CarbonylContact C-O 3.56Å; C361-V383 PolarHBondContact N-O 3.05Å; Q362-V383 HydrophobicContact CB-CG1 4.4Å; Q362-V383 PolarHBondContact N-O 2.99Å; V383-T385 WeakPolarHBondContact CG1-OG1 3.25Å; V383-N407 HydrophobicContact CG1-CB 4.41Å
384	M	90.2	Very high	87.2	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.			trans	-118.2	22.8	178.3	-62.9	-171.3	-73	0	0	112.1	C361 V369 I372 L382 N387 I389 F397 L406 N407 L408 N411	C361-M384 HydrophobicContact CB-CG 4.18Å; V369-M384 HydrophobicContact CG1-CE 4.15Å; V369-M384 HydrophobicContact CG1-SD 4.46Å; V369-M384 HydrophobicContact CG2-CE 4.23Å; I372-M384 HydrophobicContact CD1-SD 3.99Å; L382-M384 HydrophobicContact CD1-CG 3.93Å; L382-M384 HydrophobicContact CD1-SD 4.3Å; L382-M384 HydrophobicContact CD2-CE 3.66Å; L382-M384 HydrophobicContact CD2-SD 4.16Å; L382-M384 HydrophobicContact CG-CE 3.98Å; L382-M384 HydrophobicContact CG-CG 4.01Å; L382-M384 HydrophobicContact CG-SD 4.25Å; M384-N387 PolarHBondContact O-ND2 3.18Å; M384-I389 HydrophobicContact CB-CD1 4.47Å; M384-F397 HydrophobicContact CE-CE1 4.05Å; M384-F397 HydrophobicContact CE-CZ 4.3Å; M384-L406 HydrophobicContact CE-CD1 3.79Å; M384-N407 CarbonylContact C-O 3.47Å; M384-N407 WeakPolarHBondContact CA-O 3.27Å; M384-N407 PolarHBondContact N-O 2.84Å; M384-L408 HydrophobicContact CB-CD2 4.32Å; M384-L408 HydrophobicContact CE-CD2 3.73Å; M384-L408 HydrophobicContact CE-CG 4.45Å; M384-N411 PolarHBondContact O-ND2 3.18Å
385	T	86.6	Confident	88.1	Confident	12 Å²	12	44.2 Å²	44.2	7%	0.074	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	146.8	177.6	-48	0	0	0	0	112.7	Q362 D363 V383 N387 N407 A409 N410	Q362-T385 CarbonylContact C-O 3.29Å; Q362-T385 WeakPolarHBondContact CA-O 3.44Å; D363-T385 PolarHBondContact N-O 2.86Å; V383-T385 WeakPolarHBondContact CG1-OG1 3.25Å; T385-N387 VanDerWaalsContact C-N 3.26Å; T385-N387 PolarHBondContact O-N 3.13Å; T385-N387 PolarHBondContact O-ND2 2.96Å; T385-N407 PolarHBondContact N-O 2.88Å; T385-N407 VanDerWaalsContact OG1-CG 3.23Å; T385-N407 PolarHBondContact OG1-ND2 2.99Å; T385-N407 PolarHBondContact OG1-OD1 2.93Å; T385-A409 CarbonylContact C-O 3.3Å; T385-A409 VanDerWaalsContact CA-O 3.28Å; T385-A409 WeakPolarHBondContact CA-O 3.29Å; T385-A409 HydrophobicContact CG2-CB 4.25Å; T385-N410 HydrophobicContact CG2-CB 4.39Å
386	G	82.7	Confident	88.9	Confident	22 Å²	22	43.8 Å²	43.8	23%	0.227	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.7	168.4	0	0	0	0	0	116.3	A409 N410	G386-A409 PolarHBondContact N-O 3.49Å; G386-N410 WeakPolarHBondContact CA-O 3.27Å
387	N	89.9	Confident	89.9	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.016	17%	0.169	C	C	.	.			trans	-82.1	-175.3	-179.6	-77.5	-67.9	0	0	0	112.7	C361 D363 R364 G365 I366 M384 T385 I389 N411	C361-N387 PolarHBondContact O-ND2 3.07Å; D363-N387 PolarHBondContact N-ND2 3.23Å; R364-N387 PolarHBondContact N-OD1 3.32Å; G365-N387 PolarHBondContact N-OD1 2.95Å; I366-N387 HydrophobicContact CB-CB 4.13Å; I366-N387 PolarHBondContact N-OD1 3.45Å; M384-N387 PolarHBondContact O-ND2 3.18Å; T385-N387 VanDerWaalsContact C-N 3.26Å; T385-N387 PolarHBondContact O-N 3.13Å; T385-N387 PolarHBondContact O-ND2 2.96Å; N387-I389 HydrophobicContact CB-CD1 4.47Å; N387-I389 HydrophobicContact CB-CG1 4.21Å; N387-N411 WeakPolarHBondContact CA-OD1 3.42Å; N387-N411 WeakPolarHBondContact CB-OD1 3.29Å; N387-N411 PolarHBondContact N-OD1 3.43Å; N387-N411 WeakPolarHBondContact O-CA 3.27Å; N387-N411 PolarHBondContact O-OD1 3.01Å
388	M	92.6	Very high	90.2	Very high	64 Å²	64	34.6 Å²	34.6	32%	0.315	17%	0.169	S	C	.	.			trans	-104.1	21.8	-178.6	-66.4	-168	-86.8	0	0	113	I366 Q367 Q390 R412	I366-M388 CarbonylContact O-C 3.6Å; I366-M388 VanDerWaalsContact O-C 3.3Å; I366-M388 WeakPolarHBondContact O-CA 3.45Å; I366-M388 PolarHBondContact O-N 3.03Å; Q367-M388 HydrophobicContact CG-CB 4.4Å; M388-Q390 PolarHBondContact O-N 3.36Å; M388-R412 PolarHBondContact SD-NH2 2.94Å; M388-R412 VanDerWaalsContact SD-NH2 3.37Å
389	I	95.4	Very high	90.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.			trans	-62.6	121.4	178.9	-54.3	172.6	0	0	0	109	I366 Q367 V369 M384 N387 L392 L408 N411 R412 I413	I366-I389 HydrophobicContact CG2-CD1 4.22Å; I366-I389 HydrophobicContact CG2-CG1 4.09Å; I366-I389 PolarHBondContact O-N 2.91Å; Q367-I389 WeakPolarHBondContact O-CA 3.34Å; V369-I389 HydrophobicContact CG2-CD1 4.44Å; M384-I389 HydrophobicContact CB-CD1 4.47Å; N387-I389 HydrophobicContact CB-CD1 4.47Å; N387-I389 HydrophobicContact CB-CG1 4.21Å; I389-L392 HydrophobicContact CG2-CD2 3.77Å; I389-L408 HydrophobicContact CD1-CD2 3.96Å; I389-N411 HydrophobicContact CB-CB 4.46Å; I389-N411 VanDerWaalsContact CB-OD1 3.3Å; I389-N411 WeakPolarHBondContact CB-OD1 3.25Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.35Å; I389-N411 PolarHBondContact N-OD1 3.19Å; I389-R412 CarbonylContact O-C 3.54Å; I389-R412 VanDerWaalsContact O-CA 3.32Å; I389-R412 WeakPolarHBondContact O-CA 3.31Å; I389-R412 PolarHBondContact O-N 2.94Å; I389-I413 HydrophobicContact CB-CG1 4.39Å; I389-I413 HydrophobicContact CG2-CG1 4.15Å; I389-I413 WeakPolarHBondContact O-CG1 3.44Å; I389-I413 PolarHBondContact O-N 3.37Å; I389-I413 VanDerWaalsContact O-N 3.1Å
390	Q	94.7	Very high	90.1	Very high	81 Å²	81	37.7 Å²	37.7	38%	0.379	19%	0.188	S	C	.	.			trans	-104.7	-32.2	179.2	-77	158.8	71.8	0	0	112.5	M388 R412 I413 D414 Y415	M388-Q390 PolarHBondContact O-N 3.36Å; Q390-R412 HydrophobicContact CG-CB 3.82Å; Q390-I413 WeakPolarHBondContact O-CA 3.35Å; Q390-D414 PolarHBondContact O-N 3.31Å; Q390-Y415 PolarHBondContact O-N 2.86Å
391	K	94.4	Very high	90	Very high	88 Å²	88	40.1 Å²	40.1	38%	0.383	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137	-174.9	-53.4	-158	172.7	-164.2	0	110.2	F393 Y415	K391-F393 HydrophobicContact CB-CE1 4.45Å; K391-F393 HydrophobicContact CB-CE2 3.94Å; K391-F393 HydrophobicContact CB-CZ 3.83Å; K391-F393 HydrophobicContact CD-CZ 4.44Å; K391-Y415 WeakPolarHBondContact CA-O 3.48Å; K391-Y415 HydrophobicContact CB-CD1 4.44Å; K391-Y415 HydrophobicContact CD-CD1 4.13Å; K391-Y415 HydrophobicContact CD-CG 4.43Å
392	L	95.8	Very high	90.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	165.5	-51	178.5	0	0	0	108.4	V369 I389 D396 F397 L408 I413 Y415 I416 D417 T420 F421 L432	V369-L392 HydrophobicContact CG2-CD2 3.74Å; I389-L392 HydrophobicContact CG2-CD2 3.77Å; L392-D396 WeakPolarHBondContact CA-OD2 3.21Å; L392-F397 HydrophobicContact CD1-CE2 4.25Å; L392-F397 HydrophobicContact CD2-CE2 4.25Å; L392-F397 HydrophobicContact CD2-CZ 4.42Å; L392-L408 HydrophobicContact CD1-CD1 3.84Å; L392-L408 HydrophobicContact CD2-CD1 4.34Å; L392-L408 HydrophobicContact CD2-CD2 4.33Å; L392-I413 HydrophobicContact CD1-CD1 4.24Å; L392-I413 HydrophobicContact CD2-CD1 4.17Å; L392-I413 HydrophobicContact CG-CD1 4.26Å; L392-I413 HydrophobicContact CG-CG2 4.36Å; L392-Y415 PolarHBondContact N-O 3.14Å; L392-Y415 VanDerWaalsContact N-O 3.11Å; L392-I416 HydrophobicContact CB-CG1 4.39Å; L392-I416 HydrophobicContact CB-CG2 4.27Å; L392-I416 HydrophobicContact CD1-CD1 4Å; L392-I416 HydrophobicContact CD1-CG1 3.93Å; L392-I416 HydrophobicContact CD1-CG2 4.31Å; L392-I416 HydrophobicContact CG-CG1 4.24Å; L392-D417 PolarHBondContact O-N 3.22Å; L392-T420 HydrophobicContact CB-CG2 3.74Å; L392-T420 HydrophobicContact CD1-CG2 4.4Å; L392-F421 HydrophobicContact CD1-CE1 4.05Å; L392-F421 HydrophobicContact CD1-CZ 3.77Å; L392-L432 HydrophobicContact CD1-CD2 4.45Å
393	F	92.9	Very high	90.3	Very high	51 Å²	51	45.9 Å²	45.9	22%	0.224	22%	0.22	C	C	.	.			trans	-110.1	156.9	-177.3	-62.5	-79.8	0	0	0	111.9	K391 Y395 D396 D417	K391-F393 HydrophobicContact CB-CE1 4.45Å; K391-F393 HydrophobicContact CB-CE2 3.94Å; K391-F393 HydrophobicContact CB-CZ 3.83Å; K391-F393 HydrophobicContact CD-CZ 4.44Å; F393-Y395 HydrophobicContact CB-CD1 4.26Å; F393-Y395 HydrophobicContact CB-CD2 4.13Å; F393-Y395 HydrophobicContact CB-CE1 3.78Å; F393-Y395 HydrophobicContact CB-CE2 3.61Å; F393-Y395 HydrophobicContact CB-CG 4.43Å; F393-Y395 VanDerWaalsContact CB-CZ 3.41Å; F393-Y395 HydrophobicContact CD2-CE2 4.26Å; F393-Y395 WeakPolarHBondContact CD2-OH 3.47Å; F393-Y395 HydrophobicContact CG-CE1 4.29Å; F393-Y395 HydrophobicContact CG-CE2 4.14Å; F393-Y395 AromaticContact CG-CZ 3.69Å; F393-Y395 WeakPolarHBondContact CG-OH 3.27Å; F393-Y395 PolarHBondContact O-N 3.23Å; F393-D396 PolarHBondContact N-OD2 3.1Å; F393-D396 WeakPolarHBondContact O-CB 3.42Å; F393-D396 PolarHBondContact O-N 3.4Å; F393-D417 VanDerWaalsContact CA-OD2 3.29Å; F393-D417 WeakPolarHBondContact CA-OD2 3.02Å
394	K	89.5	Confident	90.4	Very high	91 Å²	91	48.9 Å²	48.9	40%	0.396	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.5	-177.7	-178.3	167.6	174.6	174.4	0	114.5	D417 E419	K394-D417 HydrophobicContact CB-CB 4.28Å; K394-D417 PolarHBondContact N-OD2 3.39Å; K394-E419 HydrophobicContact CD-CB 4.17Å; K394-E419 WeakPolarHBondContact CE-OE2 3.32Å; K394-E419 IonicContact NZ-OE2 3.15Å; K394-E419 PolarHBondContact NZ-OE2 2.92Å
395	Y	87.7	Confident	90.5	Very high	143 Å²	143	50.2 Å²	50.2	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14	-178.1	48.8	-107.1	0	0	0	114.7	F393 F397 V398	F393-Y395 HydrophobicContact CB-CD1 4.26Å; F393-Y395 HydrophobicContact CB-CD2 4.13Å; F393-Y395 HydrophobicContact CB-CE1 3.78Å; F393-Y395 HydrophobicContact CB-CE2 3.61Å; F393-Y395 HydrophobicContact CB-CG 4.43Å; F393-Y395 VanDerWaalsContact CB-CZ 3.41Å; F393-Y395 HydrophobicContact CD2-CE2 4.26Å; F393-Y395 WeakPolarHBondContact CD2-OH 3.47Å; F393-Y395 HydrophobicContact CG-CE1 4.29Å; F393-Y395 HydrophobicContact CG-CE2 4.14Å; F393-Y395 AromaticContact CG-CZ 3.69Å; F393-Y395 WeakPolarHBondContact CG-OH 3.27Å; F393-Y395 PolarHBondContact O-N 3.23Å; Y395-F397 VanDerWaalsContact C-N 3.28Å; Y395-F397 PolarHBondContact O-N 2.94Å; Y395-V398 PolarHBondContact O-N 3.03Å
396	D	90.4	Very high	90.9	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.053	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.5	-167	-80.6	-18.9	0	0	0	113.9	V369 L392 F393 Y400	V369-D396 HydrophobicContact CB-CB 3.74Å; V369-D396 HydrophobicContact CG1-CB 4.1Å; V369-D396 HydrophobicContact CG2-CB 4.08Å; L392-D396 WeakPolarHBondContact CA-OD2 3.21Å; F393-D396 PolarHBondContact N-OD2 3.1Å; F393-D396 WeakPolarHBondContact O-CB 3.42Å; F393-D396 PolarHBondContact O-N 3.4Å; D396-Y400 WeakPolarHBondContact O-CE2 3.36Å
397	F	91.8	Very high	91.4	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	15.1	-175.4	-61	-73.4	0	0	0	114.4	V369 M384 L392 Y395 T399 Y400 L406 L408 T420 F421 L424	V369-F397 HydrophobicContact CB-CZ 4.45Å; V369-F397 HydrophobicContact CG1-CD1 4.46Å; V369-F397 HydrophobicContact CG1-CE1 3.9Å; V369-F397 HydrophobicContact CG1-CZ 4.09Å; V369-F397 HydrophobicContact CG2-CE1 4.29Å; V369-F397 HydrophobicContact CG2-CE2 4.15Å; V369-F397 HydrophobicContact CG2-CZ 3.64Å; M384-F397 HydrophobicContact CE-CE1 4.05Å; M384-F397 HydrophobicContact CE-CZ 4.3Å; L392-F397 HydrophobicContact CD1-CE2 4.25Å; L392-F397 HydrophobicContact CD2-CE2 4.25Å; L392-F397 HydrophobicContact CD2-CZ 4.42Å; Y395-F397 VanDerWaalsContact C-N 3.28Å; Y395-F397 PolarHBondContact O-N 2.94Å; F397-T399 VanDerWaalsContact C-N 3.26Å; F397-T399 PolarHBondContact O-N 2.99Å; F397-Y400 HydrophobicContact CB-CD2 4.44Å; F397-Y400 HydrophobicContact CD1-CD2 4.43Å; F397-Y400 HydrophobicContact CD1-CG 4.44Å; F397-Y400 PolarHBondContact O-N 2.91Å; F397-L406 HydrophobicContact CD1-CD2 4.08Å; F397-L406 HydrophobicContact CE1-CD1 3.94Å; F397-L406 HydrophobicContact CE1-CD2 3.58Å; F397-L406 HydrophobicContact CE1-CG 4.45Å; F397-L406 HydrophobicContact CE2-CD2 4.42Å; F397-L406 HydrophobicContact CZ-CD1 4.41Å; F397-L406 HydrophobicContact CZ-CD2 3.78Å; F397-L408 HydrophobicContact CZ-CD1 4.09Å; F397-T420 HydrophobicContact CD2-CG2 3.7Å; F397-T420 HydrophobicContact CE2-CG2 3.92Å; F397-F421 AromaticContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CE1 4.02Å; F397-F421 HydrophobicContact CE2-CD1 4.27Å; F397-F421 AromaticContact CE2-CE1 3.84Å; F397-F421 HydrophobicContact CE2-CE1 3.84Å; F397-L424 HydrophobicContact CB-CD1 4.04Å; F397-L424 HydrophobicContact CB-CD2 3.93Å; F397-L424 HydrophobicContact CB-CG 3.93Å; F397-L424 HydrophobicContact CD1-CD1 4.33Å; F397-L424 HydrophobicContact CG-CD1 4.07Å; F397-L424 HydrophobicContact CG-CG 4.5Å
398	V	87.3	Confident	91.6	Very high	81 Å²	81	49.1 Å²	49.1	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.9	-171.6	168.3	0	0	0	0	113.5	Y395 S423	Y395-V398 PolarHBondContact O-N 3.03Å; V398-S423 WeakPolarHBondContact CA-OG 3.48Å; V398-S423 VanDerWaalsContact O-CB 3.27Å; V398-S423 WeakPolarHBondContact O-CB 3.25Å; V398-S423 PolarHBondContact O-OG 2.87Å
399	T	83.4	Confident	91.4	Very high	73 Å²	73	46.3 Å²	46.3	45%	0.448	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	12	-176.9	54.7	0	0	0	0	114.5	F397	F397-T399 VanDerWaalsContact C-N 3.26Å; F397-T399 PolarHBondContact O-N 2.99Å
400	Y	89.7	Confident	91.1	Very high	5 Å²	5	51 Å²	51	2%	0.02	24%	0.241	C	C	.	.			trans	-106.4	43.9	-170	-67.2	-101.5	0	0	0	112.1	I372 L375 S378 P379 L382 D396 F397 R402 L403 L424	I372-Y400 WeakPolarHBondContact CD1-OH 3.47Å; L375-Y400 HydrophobicContact CD1-CE1 3.55Å; L375-Y400 WeakPolarHBondContact CD1-OH 3.41Å; S378-Y400 WeakPolarHBondContact OG-CA 3.45Å; P379-Y400 HydrophobicContact CG-CD1 3.71Å; P379-Y400 HydrophobicContact CG-CE1 3.79Å; L382-Y400 HydrophobicContact CD2-CD1 4.11Å; L382-Y400 HydrophobicContact CD2-CE1 3.75Å; D396-Y400 WeakPolarHBondContact O-CE2 3.36Å; F397-Y400 HydrophobicContact CB-CD2 4.44Å; F397-Y400 HydrophobicContact CD1-CD2 4.43Å; F397-Y400 HydrophobicContact CD1-CG 4.44Å; F397-Y400 PolarHBondContact O-N 2.91Å; Y400-R402 VanDerWaalsContact C-N 3.3Å; Y400-R402 PolarHBondContact O-N 3.03Å; Y400-L403 HydrophobicContact CD1-CD2 4.31Å; Y400-L403 WeakPolarHBondContact O-CB 3.38Å; Y400-L403 PolarHBondContact O-N 2.95Å; Y400-L424 WeakPolarHBondContact O-CD2 3.28Å
401	D	88.7	Confident	91.1	Very high	81 Å²	81	47.5 Å²	47.5	43%	0.433	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.3	-170.5	71.2	-45.1	0	0	0	114.4	S378 S426	S378-D401 WeakPolarHBondContact CB-OD1 3.32Å; S378-D401 PolarHBondContact OG-N 3.21Å; D401-S426 WeakPolarHBondContact O-CB 3.33Å; D401-S426 PolarHBondContact O-OG 2.81Å
402	R	90.7	Very high	91.1	Very high	152 Å²	152	48.4 Å²	48.4	57%	0.574	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	1.1	-179.5	-58.8	179.1	-174.9	-177.2	0.2	114.3	S378 Y400 E404	S378-R402 PolarHBondContact OG-N 3.46Å; Y400-R402 VanDerWaalsContact C-N 3.3Å; Y400-R402 PolarHBondContact O-N 3.03Å; R402-E404 PolarHBondContact O-N 2.89Å
403	L	93.4	Very high	91.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.226	C	C	.	.			trans	-68.9	119.4	-174.2	-172.2	61.3	0	0	0	110.7	P379 L382 Y400 L405 L406 L424 S426 L427	P379-L403 HydrophobicContact CG-CD1 4.35Å; P379-L403 VanDerWaalsContact O-CA 3.25Å; P379-L403 WeakPolarHBondContact O-CA 3.27Å; P379-L403 PolarHBondContact O-N 3.15Å; L382-L403 HydrophobicContact CB-CD1 3.69Å; L382-L403 HydrophobicContact CB-CD2 4.41Å; Y400-L403 HydrophobicContact CD1-CD2 4.31Å; Y400-L403 WeakPolarHBondContact O-CB 3.38Å; Y400-L403 PolarHBondContact O-N 2.95Å; L403-L405 WeakPolarHBondContact CD1-O 3.26Å; L403-L406 HydrophobicContact CD2-CB 3.91Å; L403-L406 HydrophobicContact CD2-CD1 4.22Å; L403-L406 HydrophobicContact CD2-CD2 4.29Å; L403-L406 HydrophobicContact CD2-CG 4.36Å; L403-L406 HydrophobicContact CG-CB 4.49Å; L403-L424 HydrophobicContact CB-CD2 4.22Å; L403-L424 HydrophobicContact CD2-CD2 4.06Å; L403-S426 CarbonylContact O-C 3.45Å; L403-S426 VanDerWaalsContact O-C 3.28Å; L403-L427 HydrophobicContact CB-CD1 4.36Å; L403-L427 HydrophobicContact CD2-CD1 4.22Å; L403-L427 HydrophobicContact CG-CD1 3.83Å; L403-L427 WeakPolarHBondContact O-CA 3.42Å; L403-L427 WeakPolarHBondContact O-CD1 3.33Å; L403-L427 PolarHBondContact O-N 2.75Å; L403-L427 VanDerWaalsContact O-N 3.12Å
404	E	91.8	Very high	91.3	Very high	68 Å²	68	49.8 Å²	49.8	32%	0.318	24%	0.236	S	C	.	.			trans	-98.7	-30.4	178.8	-60.1	-157.2	156.9	0	0	113.1	T380 R402 K428 K429	T380-E404 HydrophobicContact CG2-CG 4.07Å; T380-E404 PolarHBondContact O-N 2.91Å; R402-E404 PolarHBondContact O-N 2.89Å; E404-K428 HydrophobicContact CB-CD 4.41Å; E404-K428 VanDerWaalsContact CD-CE 3.43Å; E404-K428 PolarHBondContact O-N 3.29Å; E404-K428 VanDerWaalsContact OE1-CE 3.3Å; E404-K428 WeakPolarHBondContact OE1-CE 3.21Å; E404-K428 IonicContact OE1-NZ 3.29Å; E404-K428 PolarHBondContact OE1-NZ 3.27Å; E404-K428 WeakPolarHBondContact OE2-CE 3.36Å; E404-K428 IonicContact OE2-NZ 3.99Å; E404-K428 PolarHBondContact OE2-NZ 2.78Å; E404-K429 PolarHBondContact O-N 3.49Å; E404-K429 VanDerWaalsContact O-N 3.08Å
405	L	91.4	Very high	91.6	Very high	29 Å²	29	49.9 Å²	49.9	15%	0.152	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121	179	-172.9	158.9	0	0	0	110.2	T380 K381 L382 L403 N407 K429	T380-L405 PolarHBondContact O-N 3.43Å; K381-L405 HydrophobicContact CB-CB 4.39Å; K381-L405 HydrophobicContact CG-CB 4.09Å; L382-L405 PolarHBondContact N-O 2.79Å; L403-L405 WeakPolarHBondContact CD1-O 3.26Å; L405-N407 HydrophobicContact CD2-CB 4.08Å; L405-K429 HydrophobicContact CD1-CD 4.17Å; L405-K429 HydrophobicContact CG-CB 4.22Å
406	L	94.8	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116	173.4	176.7	53.1	0	0	0	108.9	L382 M384 F397 L403 L408 F421 L424 L427 K429 L430 H431	L382-L406 HydrophobicContact CB-CD1 4.41Å; L382-L406 HydrophobicContact CD2-CD1 4.19Å; L382-L406 HydrophobicContact CG-CD1 4.29Å; M384-L406 HydrophobicContact CE-CD1 3.79Å; F397-L406 HydrophobicContact CD1-CD2 4.08Å; F397-L406 HydrophobicContact CE1-CD1 3.94Å; F397-L406 HydrophobicContact CE1-CD2 3.58Å; F397-L406 HydrophobicContact CE1-CG 4.45Å; F397-L406 HydrophobicContact CE2-CD2 4.42Å; F397-L406 HydrophobicContact CZ-CD1 4.41Å; F397-L406 HydrophobicContact CZ-CD2 3.78Å; L403-L406 HydrophobicContact CD2-CB 3.91Å; L403-L406 HydrophobicContact CD2-CD1 4.22Å; L403-L406 HydrophobicContact CD2-CD2 4.29Å; L403-L406 HydrophobicContact CD2-CG 4.36Å; L403-L406 HydrophobicContact CG-CB 4.49Å; L406-L408 HydrophobicContact CD1-CD1 4.2Å; L406-L408 HydrophobicContact CD1-CG 4.01Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.94Å; L406-L408 HydrophobicContact CG-CG 4.14Å; L406-F421 HydrophobicContact CD2-CE1 4.34Å; L406-L424 HydrophobicContact CD2-CD1 3.88Å; L406-L427 HydrophobicContact CB-CD1 3.74Å; L406-L427 HydrophobicContact CB-CD2 4.25Å; L406-K429 PolarHBondContact N-O 2.89Å; L406-K429 VanDerWaalsContact N-O 3.13Å; L406-L430 HydrophobicContact CB-CD1 4.05Å; L406-L430 HydrophobicContact CD2-CD1 3.9Å; L406-L430 HydrophobicContact CG-CD1 3.93Å; L406-H431 PolarHBondContact O-N 3.4Å
407	N	92.6	Very high	92.1	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	109.9	175.4	-165.7	-13.2	0	0	0	111.3	L382 V383 M384 T385 L405 A409 H431	L382-N407 PolarHBondContact O-N 2.97Å; V383-N407 HydrophobicContact CG1-CB 4.41Å; M384-N407 CarbonylContact C-O 3.47Å; M384-N407 WeakPolarHBondContact CA-O 3.27Å; M384-N407 PolarHBondContact N-O 2.84Å; T385-N407 PolarHBondContact N-O 2.88Å; T385-N407 VanDerWaalsContact OG1-CG 3.23Å; T385-N407 PolarHBondContact OG1-ND2 2.99Å; T385-N407 PolarHBondContact OG1-OD1 2.93Å; L405-N407 HydrophobicContact CD2-CB 4.08Å; N407-A409 WeakPolarHBondContact OD1-CB 3.4Å; N407-A409 PolarHBondContact OD1-N 2.88Å; N407-H431 HydrophobicContact CB-CB 4.36Å; N407-H431 WeakPolarHBondContact OD1-CB 3.08Å
408	L	95.3	Very high	92	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-115	17.5	177.2	-75.5	162.5	0	0	0	111.2	M384 I389 L392 F397 L406 N411 I413 H431 L432 N435	M384-L408 HydrophobicContact CB-CD2 4.32Å; M384-L408 HydrophobicContact CE-CD2 3.73Å; M384-L408 HydrophobicContact CE-CG 4.45Å; I389-L408 HydrophobicContact CD1-CD2 3.96Å; L392-L408 HydrophobicContact CD1-CD1 3.84Å; L392-L408 HydrophobicContact CD2-CD1 4.34Å; L392-L408 HydrophobicContact CD2-CD2 4.33Å; F397-L408 HydrophobicContact CZ-CD1 4.09Å; L406-L408 HydrophobicContact CD1-CD1 4.2Å; L406-L408 HydrophobicContact CD1-CG 4.01Å; L406-L408 HydrophobicContact CD2-CD1 3.91Å; L406-L408 HydrophobicContact CG-CD1 3.94Å; L406-L408 HydrophobicContact CG-CG 4.14Å; L408-N411 PolarHBondContact O-ND2 3.48Å; L408-I413 HydrophobicContact CB-CD1 4.01Å; L408-I413 HydrophobicContact CD1-CD1 4.44Å; L408-I413 HydrophobicContact CD2-CD1 4.25Å; L408-I413 HydrophobicContact CG-CD1 4.49Å; L408-H431 CarbonylContact C-O 3.15Å; L408-H431 WeakPolarHBondContact CA-O 3.38Å; L408-H431 WeakPolarHBondContact CB-O 3.47Å; L408-H431 PolarHBondContact N-O 3.31Å; L408-L432 HydrophobicContact CB-CD2 3.93Å; L408-L432 HydrophobicContact CD1-CD2 3.87Å; L408-N435 PolarHBondContact O-ND2 2.93Å
409	A	88.9	Confident	92.2	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	158.4	-175	0	0	0	0	0	112.8	T385 G386 N407 N411 H431 N433	T385-A409 CarbonylContact C-O 3.3Å; T385-A409 VanDerWaalsContact CA-O 3.28Å; T385-A409 WeakPolarHBondContact CA-O 3.29Å; T385-A409 HydrophobicContact CG2-CB 4.25Å; G386-A409 PolarHBondContact N-O 3.49Å; N407-A409 WeakPolarHBondContact OD1-CB 3.4Å; N407-A409 PolarHBondContact OD1-N 2.88Å; A409-N411 PolarHBondContact O-N 3.29Å; A409-N411 VanDerWaalsContact O-N 3.08Å; A409-N411 PolarHBondContact O-ND2 3.5Å; A409-N411 VanDerWaalsContact O-ND2 3.07Å; A409-H431 PolarHBondContact N-O 2.93Å; A409-N433 CarbonylContact C-O 3.58Å; A409-N433 WeakPolarHBondContact CA-O 3.4Å; A409-N433 WeakPolarHBondContact CB-O 3.25Å; A409-N433 WeakPolarHBondContact CB-OD1 3.44Å
410	N	88.4	Confident	92.7	Very high	98 Å²	98	43.9 Å²	43.9	52%	0.524	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	31	175.5	-57.9	-31.9	0	0	0	114.3	T385 G386 N433 G434	T385-N410 HydrophobicContact CG2-CB 4.39Å; G386-N410 WeakPolarHBondContact CA-O 3.27Å; N410-N433 PolarHBondContact N-O 3.1Å; N410-G434 WeakPolarHBondContact CA-O 3.42Å
411	N	93.9	Very high	93	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.048	20%	0.204	C	C	.	.	S	Bend	trans	-92.1	-155.2	174.1	-90.4	-96.6	0	0	0	110	M384 N387 I389 L408 A409 I413 N435	M384-N411 PolarHBondContact O-ND2 3.18Å; N387-N411 WeakPolarHBondContact CA-OD1 3.42Å; N387-N411 WeakPolarHBondContact CB-OD1 3.29Å; N387-N411 PolarHBondContact N-OD1 3.43Å; N387-N411 WeakPolarHBondContact O-CA 3.27Å; N387-N411 PolarHBondContact O-OD1 3.01Å; I389-N411 HydrophobicContact CB-CB 4.46Å; I389-N411 VanDerWaalsContact CB-OD1 3.3Å; I389-N411 WeakPolarHBondContact CB-OD1 3.25Å; I389-N411 WeakPolarHBondContact CG1-OD1 3.35Å; I389-N411 PolarHBondContact N-OD1 3.19Å; L408-N411 PolarHBondContact O-ND2 3.48Å; A409-N411 PolarHBondContact O-N 3.29Å; A409-N411 VanDerWaalsContact O-N 3.08Å; A409-N411 PolarHBondContact O-ND2 3.5Å; A409-N411 VanDerWaalsContact O-ND2 3.07Å; N411-I413 HydrophobicContact CB-CD1 4.19Å; N411-I413 HydrophobicContact CB-CG1 4.05Å; N411-N435 VanDerWaalsContact CA-OD1 3.27Å; N411-N435 WeakPolarHBondContact CA-OD1 3.15Å; N411-N435 WeakPolarHBondContact CB-OD1 3.34Å; N411-N435 PolarHBondContact N-OD1 2.61Å
412	R	95.5	Very high	93.2	Very high	106 Å²	106	43.7 Å²	43.7	40%	0.4	20%	0.204	S	C	.	.			trans	-122.1	22.7	177.1	-59.4	-176.3	-175.3	174.5	6.1	112.1	M388 I389 Q390 D414 N435	M388-R412 PolarHBondContact SD-NH2 2.94Å; M388-R412 VanDerWaalsContact SD-NH2 3.37Å; I389-R412 CarbonylContact O-C 3.54Å; I389-R412 VanDerWaalsContact O-CA 3.32Å; I389-R412 WeakPolarHBondContact O-CA 3.31Å; I389-R412 PolarHBondContact O-N 2.94Å; Q390-R412 HydrophobicContact CG-CB 3.82Å; R412-D414 PolarHBondContact O-N 2.85Å; R412-D414 VanDerWaalsContact O-N 3.08Å; R412-N435 PolarHBondContact N-OD1 2.73Å
413	I	97.6	Very high	93.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.			trans	-63.9	112.6	-167.7	-59.2	166.6	0	0	0	109.4	I389 Q390 L392 L408 N411 I416 L432 N435 R436 I437	I389-I413 HydrophobicContact CB-CG1 4.39Å; I389-I413 HydrophobicContact CG2-CG1 4.15Å; I389-I413 WeakPolarHBondContact O-CG1 3.44Å; I389-I413 PolarHBondContact O-N 3.37Å; I389-I413 VanDerWaalsContact O-N 3.1Å; Q390-I413 WeakPolarHBondContact O-CA 3.35Å; L392-I413 HydrophobicContact CD1-CD1 4.24Å; L392-I413 HydrophobicContact CD2-CD1 4.17Å; L392-I413 HydrophobicContact CG-CD1 4.26Å; L392-I413 HydrophobicContact CG-CG2 4.36Å; L408-I413 HydrophobicContact CB-CD1 4.01Å; L408-I413 HydrophobicContact CD1-CD1 4.44Å; L408-I413 HydrophobicContact CD2-CD1 4.25Å; L408-I413 HydrophobicContact CG-CD1 4.49Å; N411-I413 HydrophobicContact CB-CD1 4.19Å; N411-I413 HydrophobicContact CB-CG1 4.05Å; I413-I416 HydrophobicContact CG2-CD1 4.11Å; I413-I416 HydrophobicContact CG2-CG1 3.69Å; I413-L432 HydrophobicContact CD1-CD2 4.05Å; I413-N435 HydrophobicContact CB-CB 4.15Å; I413-N435 WeakPolarHBondContact CB-OD1 3.42Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.41Å; I413-N435 PolarHBondContact N-OD1 2.89Å; I413-R436 CarbonylContact O-C 3.55Å; I413-R436 WeakPolarHBondContact O-CA 3.33Å; I413-R436 PolarHBondContact O-N 3.34Å; I413-I437 HydrophobicContact CG2-CG1 4.32Å; I413-I437 WeakPolarHBondContact O-CG1 3.32Å; I413-I437 PolarHBondContact O-N 3.14Å; I413-I437 VanDerWaalsContact O-N 3.15Å
414	D	95.4	Very high	93.2	Very high	80 Å²	80	38.3 Å²	38.3	43%	0.428	19%	0.19	S	C	.	.			trans	-106.2	-19.2	175	64.7	22.8	0	0	0	112.4	Q390 R412 R436	Q390-D414 PolarHBondContact O-N 3.31Å; R412-D414 PolarHBondContact O-N 2.85Å; R412-D414 VanDerWaalsContact O-N 3.08Å; D414-R436 HydrophobicContact CB-CB 4.28Å
415	Y	94.8	Very high	93.2	Very high	93 Å²	93	37.4 Å²	37.4	37%	0.365	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	137	-174	-175.8	-96.9	0	0	0	112	Q390 K391 L392 D417	Q390-Y415 PolarHBondContact O-N 2.86Å; K391-Y415 WeakPolarHBondContact CA-O 3.48Å; K391-Y415 HydrophobicContact CB-CD1 4.44Å; K391-Y415 HydrophobicContact CD-CD1 4.13Å; K391-Y415 HydrophobicContact CD-CG 4.43Å; L392-Y415 PolarHBondContact N-O 3.14Å; L392-Y415 VanDerWaalsContact N-O 3.11Å; Y415-D417 WeakPolarHBondContact CE1-OD1 3.39Å; Y415-D417 PolarHBondContact OH-OD1 3.19Å
416	I	96.1	Very high	93.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.2	174.7	-58.3	179.6	0	0	0	106.7	L392 I413 T420 F421 L432 I437 M444	L392-I416 HydrophobicContact CB-CG1 4.39Å; L392-I416 HydrophobicContact CB-CG2 4.27Å; L392-I416 HydrophobicContact CD1-CD1 4Å; L392-I416 HydrophobicContact CD1-CG1 3.93Å; L392-I416 HydrophobicContact CD1-CG2 4.31Å; L392-I416 HydrophobicContact CG-CG1 4.24Å; I413-I416 HydrophobicContact CG2-CD1 4.11Å; I413-I416 HydrophobicContact CG2-CG1 3.69Å; I416-T420 HydrophobicContact CG2-CG2 4.11Å; I416-F421 HydrophobicContact CD1-CZ 4.45Å; I416-F421 HydrophobicContact CG2-CE2 4.06Å; I416-F421 HydrophobicContact CG2-CZ 4.23Å; I416-L432 HydrophobicContact CD1-CD1 4.13Å; I416-L432 HydrophobicContact CD1-CD2 4.27Å; I416-I437 HydrophobicContact CD1-CD1 3.98Å; I416-M444 HydrophobicContact CB-CE 4.09Å; I416-M444 HydrophobicContact CB-CG 4.23Å; I416-M444 HydrophobicContact CB-SD 4.26Å; I416-M444 HydrophobicContact CD1-SD 4.14Å; I416-M444 HydrophobicContact CG2-CG 3.91Å
417	D	93.5	Very high	93.5	Very high	39 Å²	39	37.8 Å²	37.8	21%	0.209	20%	0.196	C	C	.	.			trans	-59.2	148	175	-104.6	-15.2	0	0	0	111.1	L392 F393 K394 Y415 E419 T420	L392-D417 PolarHBondContact O-N 3.22Å; F393-D417 VanDerWaalsContact CA-OD2 3.29Å; F393-D417 WeakPolarHBondContact CA-OD2 3.02Å; K394-D417 HydrophobicContact CB-CB 4.28Å; K394-D417 PolarHBondContact N-OD2 3.39Å; Y415-D417 WeakPolarHBondContact CE1-OD1 3.39Å; Y415-D417 PolarHBondContact OH-OD1 3.19Å; D417-E419 PolarHBondContact O-N 2.92Å; D417-T420 WeakPolarHBondContact CA-OG1 3.3Å; D417-T420 VanDerWaalsContact CB-OG1 3.24Å; D417-T420 WeakPolarHBondContact CB-OG1 3.12Å; D417-T420 PolarHBondContact N-OG1 3.18Å; D417-T420 WeakPolarHBondContact O-CB 3.48Å; D417-T420 PolarHBondContact O-N 3.48Å; D417-T420 PolarHBondContact O-OG1 3.45Å
418	N	89.4	Confident	93.5	Very high	75 Å²	75	41 Å²	41	40%	0.401	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	138.2	168.4	-65.3	-26.9	0	0	0	110	T420 T443	N418-T420 PolarHBondContact O-N 3.09Å; N418-T443 WeakPolarHBondContact CB-OG1 3.35Å; N418-T443 PolarHBondContact OD1-OG1 3.04Å; N418-T443 VanDerWaalsContact OD1-OG1 3.12Å
419	E	90.1	Very high	93.4	Very high	64 Å²	64	42.5 Å²	42.5	30%	0.299	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	17.6	-179.8	-54.7	168.4	-167.5	0	0	115	K394 D417 F421 L422 T443 V446	K394-E419 HydrophobicContact CD-CB 4.17Å; K394-E419 WeakPolarHBondContact CE-OE2 3.32Å; K394-E419 IonicContact NZ-OE2 3.15Å; K394-E419 PolarHBondContact NZ-OE2 2.92Å; D417-E419 PolarHBondContact O-N 2.92Å; E419-F421 PolarHBondContact O-N 3.01Å; E419-F421 VanDerWaalsContact O-N 3.17Å; E419-L422 HydrophobicContact CB-CB 4.24Å; E419-L422 HydrophobicContact CB-CD2 4.46Å; E419-L422 WeakPolarHBondContact O-CB 3.01Å; E419-L422 PolarHBondContact O-N 2.9Å; E419-L422 VanDerWaalsContact O-N 3.09Å; E419-T443 PolarHBondContact N-O 3.12Å; E419-V446 HydrophobicContact CG-CB 4.42Å
420	T	94.5	Very high	93.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-37.2	172.1	-69.3	0	0	0	0	113.7	L392 F397 I416 D417 N418	L392-T420 HydrophobicContact CB-CG2 3.74Å; L392-T420 HydrophobicContact CD1-CG2 4.4Å; F397-T420 HydrophobicContact CD2-CG2 3.7Å; F397-T420 HydrophobicContact CE2-CG2 3.92Å; I416-T420 HydrophobicContact CG2-CG2 4.11Å; D417-T420 WeakPolarHBondContact CA-OG1 3.3Å; D417-T420 VanDerWaalsContact CB-OG1 3.24Å; D417-T420 WeakPolarHBondContact CB-OG1 3.12Å; D417-T420 PolarHBondContact N-OG1 3.18Å; D417-T420 WeakPolarHBondContact O-CB 3.48Å; D417-T420 PolarHBondContact O-N 3.48Å; D417-T420 PolarHBondContact O-OG1 3.45Å; N418-T420 PolarHBondContact O-N 3.09Å
421	F	95.6	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	17.1	-176.1	-52.3	-56.1	0	0	0	113.5	L392 F397 L406 I416 E419 S423 L424 L430 L432 M444 F445 V446 L448	L392-F421 HydrophobicContact CD1-CE1 4.05Å; L392-F421 HydrophobicContact CD1-CZ 3.77Å; F397-F421 AromaticContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CD1 3.97Å; F397-F421 HydrophobicContact CD2-CE1 4.02Å; F397-F421 HydrophobicContact CE2-CD1 4.27Å; F397-F421 AromaticContact CE2-CE1 3.84Å; F397-F421 HydrophobicContact CE2-CE1 3.84Å; L406-F421 HydrophobicContact CD2-CE1 4.34Å; I416-F421 HydrophobicContact CD1-CZ 4.45Å; I416-F421 HydrophobicContact CG2-CE2 4.06Å; I416-F421 HydrophobicContact CG2-CZ 4.23Å; E419-F421 PolarHBondContact O-N 3.01Å; E419-F421 VanDerWaalsContact O-N 3.17Å; F421-S423 VanDerWaalsContact C-N 3.32Å; F421-S423 PolarHBondContact O-N 2.93Å; F421-L424 HydrophobicContact CB-CB 4.46Å; F421-L424 HydrophobicContact CB-CD1 4.17Å; F421-L424 HydrophobicContact CB-CG 4.48Å; F421-L424 HydrophobicContact CD1-CD1 3.63Å; F421-L424 HydrophobicContact CG-CD1 4.31Å; F421-L424 WeakPolarHBondContact O-CB 3.25Å; F421-L424 PolarHBondContact O-N 3.07Å; F421-L430 HydrophobicContact CD2-CD2 4.4Å; F421-L430 HydrophobicContact CE2-CD2 4.08Å; F421-L430 HydrophobicContact CZ-CD2 4.16Å; F421-L432 HydrophobicContact CZ-CD1 4.41Å; F421-M444 WeakPolarHBondContact CD2-O 3.3Å; F421-F445 HydrophobicContact CD2-CD1 4.15Å; F421-F445 HydrophobicContact CE2-CD1 4.16Å; F421-F445 HydrophobicContact CE2-CE1 4.24Å; F421-V446 CarbonylContact C-O 2.94Å; F421-V446 VanDerWaalsContact C-O 3.28Å; F421-L448 HydrophobicContact CB-CD1 3.73Å; F421-L448 HydrophobicContact CB-CD2 3.87Å; F421-L448 HydrophobicContact CB-CG 3.63Å; F421-L448 HydrophobicContact CD2-CD1 3.79Å; F421-L448 HydrophobicContact CG-CD1 3.93Å; F421-L448 HydrophobicContact CG-CG 4.36Å
422	L	93.2	Very high	94.2	Very high	83 Å²	83	37.6 Å²	37.6	44%	0.435	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-38.2	-171.4	-175.9	63.1	0	0	0	114.1	E419 V446 G447	E419-L422 HydrophobicContact CB-CB 4.24Å; E419-L422 HydrophobicContact CB-CD2 4.46Å; E419-L422 WeakPolarHBondContact O-CB 3.01Å; E419-L422 PolarHBondContact O-N 2.9Å; E419-L422 VanDerWaalsContact O-N 3.09Å; L422-V446 WeakPolarHBondContact CA-O 3.45Å; L422-V446 HydrophobicContact CD1-CG1 3.93Å; L422-V446 PolarHBondContact N-O 3.01Å; L422-G447 WeakPolarHBondContact O-CA 3.39Å
423	S	90.2	Very high	94	Very high	39 Å²	39	34 Å²	34	27%	0.273	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.9	178.4	-66.9	0	0	0	0	114.4	V398 F421 S425	V398-S423 WeakPolarHBondContact CA-OG 3.48Å; V398-S423 VanDerWaalsContact O-CB 3.27Å; V398-S423 WeakPolarHBondContact O-CB 3.25Å; V398-S423 PolarHBondContact O-OG 2.87Å; F421-S423 VanDerWaalsContact C-N 3.32Å; F421-S423 PolarHBondContact O-N 2.93Å; S423-S425 PolarHBondContact O-N 3.21Å
424	L	94.8	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.			trans	-79.1	46.1	-170.4	-65.8	-170.2	0	0	0	113.2	F397 Y400 L403 L406 F421 S426 L427 L448	F397-L424 HydrophobicContact CB-CD1 4.04Å; F397-L424 HydrophobicContact CB-CD2 3.93Å; F397-L424 HydrophobicContact CB-CG 3.93Å; F397-L424 HydrophobicContact CD1-CD1 4.33Å; F397-L424 HydrophobicContact CG-CD1 4.07Å; F397-L424 HydrophobicContact CG-CG 4.5Å; Y400-L424 WeakPolarHBondContact O-CD2 3.28Å; L403-L424 HydrophobicContact CB-CD2 4.22Å; L403-L424 HydrophobicContact CD2-CD2 4.06Å; L406-L424 HydrophobicContact CD2-CD1 3.88Å; F421-L424 HydrophobicContact CB-CB 4.46Å; F421-L424 HydrophobicContact CB-CD1 4.17Å; F421-L424 HydrophobicContact CB-CG 4.48Å; F421-L424 HydrophobicContact CD1-CD1 3.63Å; F421-L424 HydrophobicContact CG-CD1 4.31Å; F421-L424 WeakPolarHBondContact O-CB 3.25Å; F421-L424 PolarHBondContact O-N 3.07Å; L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.4Å; L424-L427 HydrophobicContact CB-CB 4.13Å; L424-L427 HydrophobicContact CD1-CD2 4.04Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-L427 VanDerWaalsContact O-N 3.13Å; L424-L448 HydrophobicContact CB-CD2 3.68Å; L424-L448 HydrophobicContact CD1-CD2 4.44Å
425	S	92.2	Very high	93.7	Very high	49 Å²	49	31.5 Å²	31.5	34%	0.343	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.4	-174.2	67.4	0	0	0	0	113.7	S423 N450	S423-S425 PolarHBondContact O-N 3.21Å; S425-N450 WeakPolarHBondContact O-CB 3.48Å; S425-N450 PolarHBondContact O-ND2 2.77Å
426	S	94.7	Very high	93.8	Very high	37 Å²	37	33.8 Å²	33.8	26%	0.259	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.9	177.5	-58	0	0	0	0	114.6	D401 L403 L424 K428	D401-S426 WeakPolarHBondContact O-CB 3.33Å; D401-S426 PolarHBondContact O-OG 2.81Å; L403-S426 CarbonylContact O-C 3.45Å; L403-S426 VanDerWaalsContact O-C 3.28Å; L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.4Å; S426-K428 PolarHBondContact O-N 2.73Å
427	L	96.7	Very high	93.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	-68.7	126.7	-169.4	-162.8	76.3	0	0	0	111.7	L403 L406 L424 L430 L448 N450 L451	L403-L427 HydrophobicContact CB-CD1 4.36Å; L403-L427 HydrophobicContact CD2-CD1 4.22Å; L403-L427 HydrophobicContact CG-CD1 3.83Å; L403-L427 WeakPolarHBondContact O-CA 3.42Å; L403-L427 WeakPolarHBondContact O-CD1 3.33Å; L403-L427 PolarHBondContact O-N 2.75Å; L403-L427 VanDerWaalsContact O-N 3.12Å; L406-L427 HydrophobicContact CB-CD1 3.74Å; L406-L427 HydrophobicContact CB-CD2 4.25Å; L424-L427 HydrophobicContact CB-CB 4.13Å; L424-L427 HydrophobicContact CD1-CD2 4.04Å; L424-L427 WeakPolarHBondContact O-CB 3.33Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-L427 VanDerWaalsContact O-N 3.13Å; L427-L430 HydrophobicContact CD2-CB 3.87Å; L427-L430 HydrophobicContact CD2-CD1 4.27Å; L427-L430 HydrophobicContact CD2-CD2 4.39Å; L427-L430 HydrophobicContact CD2-CG 4.4Å; L427-L448 HydrophobicContact CB-CD2 3.85Å; L427-L448 HydrophobicContact CD2-CD2 3.5Å; L427-L448 VanDerWaalsContact CD2-CD2 3.5Å; L427-L448 HydrophobicContact CG-CD2 4.28Å; L427-N450 CarbonylContact O-C 3.4Å; L427-L451 HydrophobicContact CD2-CD1 4.11Å; L427-L451 HydrophobicContact CG-CD1 4.24Å; L427-L451 WeakPolarHBondContact O-CA 3.36Å; L427-L451 PolarHBondContact O-N 2.9Å
428	K	93.2	Very high	94	Very high	82 Å²	82	35.9 Å²	35.9	36%	0.357	19%	0.185	S	C	.	.			trans	-105.9	-38.6	-179.3	-58.5	174.3	-169.2	165	0	111.9	E404 S426 E452 S453	E404-K428 HydrophobicContact CB-CD 4.41Å; E404-K428 VanDerWaalsContact CD-CE 3.43Å; E404-K428 PolarHBondContact O-N 3.29Å; E404-K428 VanDerWaalsContact OE1-CE 3.3Å; E404-K428 WeakPolarHBondContact OE1-CE 3.21Å; E404-K428 IonicContact OE1-NZ 3.29Å; E404-K428 PolarHBondContact OE1-NZ 3.27Å; E404-K428 WeakPolarHBondContact OE2-CE 3.36Å; E404-K428 IonicContact OE2-NZ 3.99Å; E404-K428 PolarHBondContact OE2-NZ 2.78Å; S426-K428 PolarHBondContact O-N 2.73Å; K428-E452 HydrophobicContact CB-CG 4.5Å; K428-E452 PolarHBondContact O-N 3.3Å; K428-S453 PolarHBondContact O-N 2.99Å; K428-S453 VanDerWaalsContact O-N 3.08Å
429	K	92.2	Very high	94.3	Very high	30 Å²	30	36.9 Å²	36.9	13%	0.13	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130	176.8	-68.8	-169	177.5	-173.2	0	111.3	G228 E404 L405 L406	G228-K429 PolarHBondContact O-NZ 3.14Å; E404-K429 PolarHBondContact O-N 3.49Å; E404-K429 VanDerWaalsContact O-N 3.08Å; L405-K429 HydrophobicContact CD1-CD 4.17Å; L405-K429 HydrophobicContact CG-CB 4.22Å; L406-K429 PolarHBondContact N-O 2.89Å; L406-K429 VanDerWaalsContact N-O 3.13Å
430	L	96.6	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.9	171.8	178.6	53.6	0	0	0	110	L406 F421 L427 L432 F445 L448 L451 S453 L454 Y455	L406-L430 HydrophobicContact CB-CD1 4.05Å; L406-L430 HydrophobicContact CD2-CD1 3.9Å; L406-L430 HydrophobicContact CG-CD1 3.93Å; F421-L430 HydrophobicContact CD2-CD2 4.4Å; F421-L430 HydrophobicContact CE2-CD2 4.08Å; F421-L430 HydrophobicContact CZ-CD2 4.16Å; L427-L430 HydrophobicContact CD2-CB 3.87Å; L427-L430 HydrophobicContact CD2-CD1 4.27Å; L427-L430 HydrophobicContact CD2-CD2 4.39Å; L427-L430 HydrophobicContact CD2-CG 4.4Å; L430-L432 HydrophobicContact CD1-CD1 4.39Å; L430-L432 HydrophobicContact CD1-CG 4.13Å; L430-L432 HydrophobicContact CD2-CD1 3.95Å; L430-L432 HydrophobicContact CG-CD1 4.04Å; L430-L432 HydrophobicContact CG-CG 4.12Å; L430-F445 HydrophobicContact CD2-CE1 4.44Å; L430-L448 HydrophobicContact CD2-CD1 3.9Å; L430-L451 HydrophobicContact CB-CD1 3.74Å; L430-S453 PolarHBondContact N-O 2.6Å; L430-S453 VanDerWaalsContact N-O 3.09Å; L430-L454 HydrophobicContact CB-CD1 4.06Å; L430-L454 HydrophobicContact CD2-CD1 3.94Å; L430-L454 HydrophobicContact CG-CD1 3.96Å; L430-Y455 PolarHBondContact O-N 3.17Å
431	H	94.5	Very high	94.6	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.4	177.4	-58.9	-110.2	0	0	0	110.1	D205 L406 N407 L408 A409 N433 Y455	D205-H431 IonicContact OD1-CE1 2.65Å; L406-H431 PolarHBondContact O-N 3.4Å; N407-H431 HydrophobicContact CB-CB 4.36Å; N407-H431 WeakPolarHBondContact OD1-CB 3.08Å; L408-H431 CarbonylContact C-O 3.15Å; L408-H431 WeakPolarHBondContact CA-O 3.38Å; L408-H431 WeakPolarHBondContact CB-O 3.47Å; L408-H431 PolarHBondContact N-O 3.31Å; A409-H431 PolarHBondContact N-O 2.93Å; H431-N433 WeakPolarHBondContact CB-OD1 3.47Å; H431-Y455 AromaticContact CE1-CD2 3.52Å; H431-Y455 AromaticContact CE1-CE2 3.54Å; H431-Y455 AromaticContact CG-CD2 3.83Å; H431-Y455 AromaticContact ND1-CD2 3.44Å; H431-Y455 WeakPolarHBondContact ND1-CD2 3.47Å; H431-Y455 AromaticContact ND1-CE2 3.95Å; H431-Y455 AromaticContact ND1-CG 3.9Å; H431-Y455 AromaticContact NE2-CD2 3.92Å; H431-Y455 AromaticContact NE2-CE2 3.85Å
432	L	96.8	Very high	94.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.			trans	-121	10.6	176.4	-74.6	167.7	0	0	0	111.5	L392 L408 I413 I416 F421 L430 N435 I437 F445 Y455 L456 N459	L392-L432 HydrophobicContact CD1-CD2 4.45Å; L408-L432 HydrophobicContact CB-CD2 3.93Å; L408-L432 HydrophobicContact CD1-CD2 3.87Å; I413-L432 HydrophobicContact CD1-CD2 4.05Å; I416-L432 HydrophobicContact CD1-CD1 4.13Å; I416-L432 HydrophobicContact CD1-CD2 4.27Å; F421-L432 HydrophobicContact CZ-CD1 4.41Å; L430-L432 HydrophobicContact CD1-CD1 4.39Å; L430-L432 HydrophobicContact CD1-CG 4.13Å; L430-L432 HydrophobicContact CD2-CD1 3.95Å; L430-L432 HydrophobicContact CG-CD1 4.04Å; L430-L432 HydrophobicContact CG-CG 4.12Å; L432-N435 WeakPolarHBondContact O-CB 3.46Å; L432-N435 PolarHBondContact O-ND2 2.92Å; L432-I437 HydrophobicContact CB-CD1 4.22Å; L432-I437 HydrophobicContact CD1-CD1 4.49Å; L432-F445 HydrophobicContact CD1-CE1 4.21Å; L432-Y455 CarbonylContact C-O 3.36Å; L432-Y455 WeakPolarHBondContact CA-O 3.32Å; L432-Y455 PolarHBondContact N-O 2.91Å; L432-L456 HydrophobicContact CB-CD2 3.71Å; L432-L456 HydrophobicContact CD1-CD2 4.04Å; L432-N459 PolarHBondContact O-ND2 2.79Å
433	N	92.3	Very high	94.3	Very high	29 Å²	29	38.6 Å²	38.6	16%	0.155	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	152.2	-179.6	57.2	-56.9	0	0	0	113.2	A409 N410 H431 N435 Y455 E457	A409-N433 CarbonylContact C-O 3.58Å; A409-N433 WeakPolarHBondContact CA-O 3.4Å; A409-N433 WeakPolarHBondContact CB-O 3.25Å; A409-N433 WeakPolarHBondContact CB-OD1 3.44Å; N410-N433 PolarHBondContact N-O 3.1Å; H431-N433 WeakPolarHBondContact CB-OD1 3.47Å; N433-N435 VanDerWaalsContact C-N 3.32Å; N433-N435 PolarHBondContact O-N 3.49Å; N433-N435 PolarHBondContact O-ND2 3.43Å; N433-Y455 PolarHBondContact N-O 3.09Å; N433-E457 CarbonylContact C-O 3.1Å; N433-E457 WeakPolarHBondContact CA-O 3.08Å; N433-E457 VanDerWaalsContact CB-CD 3.42Å; N433-E457 HydrophobicContact CB-CG 3.87Å; N433-E457 WeakPolarHBondContact CB-O 3.21Å; N433-E457 WeakPolarHBondContact CB-OE1 3.32Å; N433-E457 VanDerWaalsContact CG-OE1 3.25Å; N433-E457 PolarHBondContact ND2-OE1 2.72Å
434	G	90.3	Very high	94.4	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	24.4	-178.6	0	0	0	0	0	114.8	N410 E457 Y458	N410-G434 WeakPolarHBondContact CA-O 3.42Å; G434-E457 PolarHBondContact N-O 2.97Å; G434-Y458 VanDerWaalsContact CA-O 3.24Å; G434-Y458 WeakPolarHBondContact CA-O 3.33Å; G434-Y458 PolarHBondContact N-O 3.49Å
435	N	97.1	Very high	94.4	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	19%	0.188	C	C	.	.	S	Bend	trans	-103.3	-162.5	177.6	-83.1	-75.6	0	0	0	111.6	L408 N411 R412 I413 L432 N433 I437 N459	L408-N435 PolarHBondContact O-ND2 2.93Å; N411-N435 VanDerWaalsContact CA-OD1 3.27Å; N411-N435 WeakPolarHBondContact CA-OD1 3.15Å; N411-N435 WeakPolarHBondContact CB-OD1 3.34Å; N411-N435 PolarHBondContact N-OD1 2.61Å; R412-N435 PolarHBondContact N-OD1 2.73Å; I413-N435 HydrophobicContact CB-CB 4.15Å; I413-N435 WeakPolarHBondContact CB-OD1 3.42Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.41Å; I413-N435 PolarHBondContact N-OD1 2.89Å; L432-N435 WeakPolarHBondContact O-CB 3.46Å; L432-N435 PolarHBondContact O-ND2 2.92Å; N433-N435 VanDerWaalsContact C-N 3.32Å; N433-N435 PolarHBondContact O-N 3.49Å; N433-N435 PolarHBondContact O-ND2 3.43Å; N435-I437 HydrophobicContact CB-CD1 4.48Å; N435-I437 HydrophobicContact CB-CG1 4.28Å; N435-N459 VanDerWaalsContact CA-OD1 3.31Å; N435-N459 WeakPolarHBondContact CA-OD1 3.16Å; N435-N459 WeakPolarHBondContact CB-OD1 3.35Å; N435-N459 PolarHBondContact N-OD1 3.23Å; N435-N459 PolarHBondContact O-OD1 3.13Å
436	R	97	Very high	94.5	Very high	141 Å²	141	36.3 Å²	36.3	53%	0.532	18%	0.183	S	C	.	.			trans	-120.5	22.2	-175	-60.9	-178	175.1	-154	-6.6	112.6	I413 D414 E438 N459 L460	I413-R436 CarbonylContact O-C 3.55Å; I413-R436 WeakPolarHBondContact O-CA 3.33Å; I413-R436 PolarHBondContact O-N 3.34Å; D414-R436 HydrophobicContact CB-CB 4.28Å; R436-E438 PolarHBondContact O-N 3Å; R436-N459 PolarHBondContact N-OD1 3.24Å; R436-L460 HydrophobicContact CB-CD1 4.48Å
437	I	97.6	Very high	94.3	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	17%	0.17	C	C	.	.			trans	-67.1	117.7	-174.4	-56.1	171.2	0	0	0	108.6	I413 I416 L432 N435 L440 L456 N459 L460 I461	I413-I437 HydrophobicContact CG2-CG1 4.32Å; I413-I437 WeakPolarHBondContact O-CG1 3.32Å; I413-I437 PolarHBondContact O-N 3.14Å; I413-I437 VanDerWaalsContact O-N 3.15Å; I416-I437 HydrophobicContact CD1-CD1 3.98Å; L432-I437 HydrophobicContact CB-CD1 4.22Å; L432-I437 HydrophobicContact CD1-CD1 4.49Å; N435-I437 HydrophobicContact CB-CD1 4.48Å; N435-I437 HydrophobicContact CB-CG1 4.28Å; I437-L440 HydrophobicContact CG2-CD2 3.7Å; I437-L456 HydrophobicContact CD1-CD2 4.03Å; I437-N459 WeakPolarHBondContact CB-OD1 3.16Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.5Å; I437-N459 PolarHBondContact N-OD1 3.15Å; I437-N459 VanDerWaalsContact N-OD1 3.09Å; I437-L460 CarbonylContact O-C 3.32Å; I437-L460 PolarHBondContact O-N 2.98Å; I437-I461 HydrophobicContact CB-CG1 4.38Å; I437-I461 HydrophobicContact CG2-CG1 4.3Å; I437-I461 WeakPolarHBondContact O-CA 3.07Å; I437-I461 WeakPolarHBondContact O-CG1 3.34Å; I437-I461 PolarHBondContact O-N 2.81Å; I437-I461 VanDerWaalsContact O-N 3.09Å
438	E	96.1	Very high	94.3	Very high	82 Å²	82	34.6 Å²	34.6	38%	0.383	17%	0.17	S	C	.	.			trans	-93.5	-28.8	178.9	-64.6	-146.8	160.2	0	0	114	R436 L460 I461 K462	R436-E438 PolarHBondContact O-N 3Å; E438-L460 WeakPolarHBondContact CA-O 3.2Å; E438-L460 HydrophobicContact CG-CB 4.19Å; E438-I461 WeakPolarHBondContact O-CA 3.32Å; E438-K462 PolarHBondContact O-N 3.08Å; E438-K462 IonicContact OE1-NZ 3.13Å; E438-K462 PolarHBondContact OE1-NZ 2.84Å; E438-K462 IonicContact OE2-NZ 2.73Å; E438-K462 PolarHBondContact OE2-NZ 2.99Å
439	K	95.6	Very high	94.2	Very high	95 Å²	95	35.2 Å²	35.2	41%	0.413	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	144.1	-175.6	-57.5	-162.3	-179.4	-160.3	0	111.5	F441 E463	K439-F441 HydrophobicContact CB-CE1 4.34Å; K439-F441 HydrophobicContact CB-CZ 4.34Å; K439-E463 VanDerWaalsContact CA-O 3.32Å; K439-E463 WeakPolarHBondContact CA-O 3.35Å; K439-E463 HydrophobicContact CD-CB 4.33Å; K439-E463 WeakPolarHBondContact CE-OE2 3.49Å; K439-E463 HydrophobicContact CG-CB 4.24Å; K439-E463 IonicContact NZ-OE2 2.8Å; K439-E463 PolarHBondContact NZ-OE2 3.18Å
440	L	96.3	Very high	94.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.9	170.8	-51.7	179.8	0	0	0	110.5	I437 M444 F445 L456 I461 E463 I464 A465 T468 F469	I437-L440 HydrophobicContact CG2-CD2 3.7Å; L440-M444 HydrophobicContact CD2-CE 4.47Å; L440-M444 HydrophobicContact CD2-SD 3.82Å; L440-F445 HydrophobicContact CD1-CE2 4.31Å; L440-F445 HydrophobicContact CD2-CE2 4.41Å; L440-F445 HydrophobicContact CD2-CZ 4.27Å; L440-L456 HydrophobicContact CD1-CD1 3.95Å; L440-I461 HydrophobicContact CD1-CD1 4.29Å; L440-I461 HydrophobicContact CD2-CD1 4.2Å; L440-I461 HydrophobicContact CG-CD1 4.34Å; L440-I461 HydrophobicContact CG-CG2 4.19Å; L440-E463 PolarHBondContact N-O 2.89Å; L440-E463 VanDerWaalsContact N-O 3.14Å; L440-I464 HydrophobicContact CB-CG1 4.41Å; L440-I464 HydrophobicContact CB-CG2 4.22Å; L440-I464 HydrophobicContact CD1-CD1 4.04Å; L440-I464 HydrophobicContact CD1-CG1 3.94Å; L440-I464 HydrophobicContact CD1-CG2 4.39Å; L440-I464 HydrophobicContact CG-CG1 4.27Å; L440-A465 WeakPolarHBondContact O-CB 3.45Å; L440-A465 PolarHBondContact O-N 2.95Å; L440-T468 HydrophobicContact CB-CG2 3.76Å; L440-T468 HydrophobicContact CD1-CG2 4.31Å; L440-F469 HydrophobicContact CD1-CE1 4.21Å; L440-F469 HydrophobicContact CD1-CZ 3.8Å
441	F	93.3	Very high	94.4	Very high	81 Å²	81	36.5 Å²	36.5	36%	0.355	18%	0.183	S	C	.	.			trans	-104.4	154.5	-177.7	-56.9	-60.1	0	0	0	112.1	K439 T443 M444 T468	K439-F441 HydrophobicContact CB-CE1 4.34Å; K439-F441 HydrophobicContact CB-CZ 4.34Å; F441-T443 PolarHBondContact O-N 2.93Å; F441-T443 VanDerWaalsContact O-N 3.15Å; F441-M444 HydrophobicContact CB-CB 4.45Å; F441-M444 HydrophobicContact CB-CE 4.47Å; F441-M444 HydrophobicContact CD2-CE 3.65Å; F441-M444 HydrophobicContact CE2-CE 4.28Å; F441-M444 HydrophobicContact CG-CE 4.36Å; F441-M444 VanDerWaalsContact O-CB 3.32Å; F441-M444 WeakPolarHBondContact O-CB 3.44Å; F441-M444 PolarHBondContact O-N 2.9Å; F441-M444 VanDerWaalsContact O-N 3.14Å; F441-T468 PolarHBondContact O-OG1 2.76Å
442	S	90.9	Very high	94.4	Very high	60 Å²	60	38.5 Å²	38.5	42%	0.42	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.6	-175.7	52.9	0	0	0	0	114.3
443	T	91.1	Very high	94.3	Very high	44 Å²	44	39.4 Å²	39.4	27%	0.27	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	8	-178.5	42.2	0	0	0	0	114.1	N418 E419 F441 V446	N418-T443 WeakPolarHBondContact CB-OG1 3.35Å; N418-T443 PolarHBondContact OD1-OG1 3.04Å; N418-T443 VanDerWaalsContact OD1-OG1 3.12Å; E419-T443 PolarHBondContact N-O 3.12Å; F441-T443 PolarHBondContact O-N 2.93Å; F441-T443 VanDerWaalsContact O-N 3.15Å; T443-V446 HydrophobicContact CG2-CG2 4.37Å
444	M	93.6	Very high	94.6	Very high	2 Å²	2	38 Å²	38	1%	0.01	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-39.8	-177.6	-173.4	176.6	-73.9	0	0	112.7	I416 F421 L440 F441	I416-M444 HydrophobicContact CB-CE 4.09Å; I416-M444 HydrophobicContact CB-CG 4.23Å; I416-M444 HydrophobicContact CB-SD 4.26Å; I416-M444 HydrophobicContact CD1-SD 4.14Å; I416-M444 HydrophobicContact CG2-CG 3.91Å; F421-M444 WeakPolarHBondContact CD2-O 3.3Å; L440-M444 HydrophobicContact CD2-CE 4.47Å; L440-M444 HydrophobicContact CD2-SD 3.82Å; F441-M444 HydrophobicContact CB-CB 4.45Å; F441-M444 HydrophobicContact CB-CE 4.47Å; F441-M444 HydrophobicContact CD2-CE 3.65Å; F441-M444 HydrophobicContact CE2-CE 4.28Å; F441-M444 HydrophobicContact CG-CE 4.36Å; F441-M444 VanDerWaalsContact O-CB 3.32Å; F441-M444 WeakPolarHBondContact O-CB 3.44Å; F441-M444 PolarHBondContact O-N 2.9Å; F441-M444 VanDerWaalsContact O-N 3.14Å
445	F	95.3	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	21.3	-173.3	-57.8	-65.1	0	0	0	114.4	F421 L430 L432 L440 L448 L454 L456 T468 F469 L472	F421-F445 HydrophobicContact CD2-CD1 4.15Å; F421-F445 HydrophobicContact CE2-CD1 4.16Å; F421-F445 HydrophobicContact CE2-CE1 4.24Å; L430-F445 HydrophobicContact CD2-CE1 4.44Å; L432-F445 HydrophobicContact CD1-CE1 4.21Å; L440-F445 HydrophobicContact CD1-CE2 4.31Å; L440-F445 HydrophobicContact CD2-CE2 4.41Å; L440-F445 HydrophobicContact CD2-CZ 4.27Å; F445-L448 HydrophobicContact CB-CD1 4.14Å; F445-L448 HydrophobicContact CD1-CD1 3.95Å; F445-L454 HydrophobicContact CD1-CD2 4.37Å; F445-L454 HydrophobicContact CE1-CD1 4.2Å; F445-L454 HydrophobicContact CE1-CD2 4.05Å; F445-L454 HydrophobicContact CE2-CD2 4.24Å; F445-L454 HydrophobicContact CZ-CD2 3.99Å; F445-L456 HydrophobicContact CZ-CD1 4.18Å; F445-T468 HydrophobicContact CD2-CG2 3.7Å; F445-T468 HydrophobicContact CE2-CG2 3.69Å; F445-F469 HydrophobicContact CD2-CD1 4.19Å; F445-F469 HydrophobicContact CD2-CE1 4.2Å; F445-F469 HydrophobicContact CE2-CD1 4.32Å; F445-F469 AromaticContact CE2-CE1 3.86Å; F445-F469 HydrophobicContact CE2-CE1 3.86Å; F445-L472 HydrophobicContact CB-CD1 4.1Å; F445-L472 HydrophobicContact CB-CD2 4.06Å; F445-L472 HydrophobicContact CB-CG 4.27Å; F445-L472 HydrophobicContact CG-CD1 4.45Å
446	V	93.4	Very high	94.8	Very high	38 Å²	38	37.3 Å²	37.3	23%	0.23	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	137.7	177.3	178.9	0	0	0	0	110.3	E419 F421 L422 T443 P471	E419-V446 HydrophobicContact CG-CB 4.42Å; F421-V446 CarbonylContact C-O 2.94Å; F421-V446 VanDerWaalsContact C-O 3.28Å; L422-V446 WeakPolarHBondContact CA-O 3.45Å; L422-V446 HydrophobicContact CD1-CG1 3.93Å; L422-V446 PolarHBondContact N-O 3.01Å; T443-V446 HydrophobicContact CG2-CG2 4.37Å; V446-P471 HydrophobicContact CG2-CB 4.24Å; V446-P471 HydrophobicContact CG2-CG 3.83Å
447	G	90.4	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.6	-20.1	-177.8	0	0	0	0	0	115	L422 H449	L422-G447 WeakPolarHBondContact O-CA 3.39Å; G447-H449 PolarHBondContact O-CD2 3.01Å; G447-H449 VanDerWaalsContact O-CD2 3.28Å; G447-H449 PolarHBondContact O-N 3.1Å
448	L	95.9	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.			trans	-78.5	51.8	-175.1	-70.2	175.7	0	0	0	113.5	F421 L424 L427 L430 F445 N450 L451 L472	F421-L448 HydrophobicContact CB-CD1 3.73Å; F421-L448 HydrophobicContact CB-CD2 3.87Å; F421-L448 HydrophobicContact CB-CG 3.63Å; F421-L448 HydrophobicContact CD2-CD1 3.79Å; F421-L448 HydrophobicContact CG-CD1 3.93Å; F421-L448 HydrophobicContact CG-CG 4.36Å; L424-L448 HydrophobicContact CB-CD2 3.68Å; L424-L448 HydrophobicContact CD1-CD2 4.44Å; L427-L448 HydrophobicContact CB-CD2 3.85Å; L427-L448 HydrophobicContact CD2-CD2 3.5Å; L427-L448 VanDerWaalsContact CD2-CD2 3.5Å; L427-L448 HydrophobicContact CG-CD2 4.28Å; L430-L448 HydrophobicContact CD2-CD1 3.9Å; F445-L448 HydrophobicContact CB-CD1 4.14Å; F445-L448 HydrophobicContact CD1-CD1 3.95Å; L448-N450 VanDerWaalsContact C-N 3.31Å; L448-N450 PolarHBondContact O-N 3.34Å; L448-L451 HydrophobicContact CB-CB 4.08Å; L448-L451 HydrophobicContact CB-CD2 4.39Å; L448-L451 HydrophobicContact CD1-CD2 4.15Å; L448-L451 WeakPolarHBondContact O-CB 3.19Å; L448-L451 PolarHBondContact O-N 3.13Å; L448-L472 HydrophobicContact CB-CD2 3.42Å; L448-L472 VanDerWaalsContact CB-CD2 3.42Å; L448-L472 HydrophobicContact CD1-CD2 4.47Å; L448-L472 WeakPolarHBondContact O-CD2 3.25Å
449	H	92.8	Very high	94.4	Very high	96 Å²	96	34.8 Å²	34.8	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.4	-169.5	-59.5	-50.3	0	0	0	115.2	G447	G447-H449 PolarHBondContact O-CD2 3.01Å; G447-H449 VanDerWaalsContact O-CD2 3.28Å; G447-H449 PolarHBondContact O-N 3.1Å
450	N	95.8	Very high	94.4	Very high	55 Å²	55	33.2 Å²	33.2	29%	0.294	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	6.9	175.9	-72.7	-59.4	0	0	0	114.3	S425 L427 L448 E452 K474	S425-N450 WeakPolarHBondContact O-CB 3.48Å; S425-N450 PolarHBondContact O-ND2 2.77Å; L427-N450 CarbonylContact O-C 3.4Å; L448-N450 VanDerWaalsContact C-N 3.31Å; L448-N450 PolarHBondContact O-N 3.34Å; N450-E452 WeakPolarHBondContact O-CG 3.19Å; N450-E452 PolarHBondContact O-N 3.12Å; N450-K474 WeakPolarHBondContact OD1-CE 3.45Å; N450-K474 PolarHBondContact OD1-NZ 2.71Å
451	L	97.3	Very high	94.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.166	C	C	.	.			trans	-66.2	123	-175.1	-169.2	75.1	0	0	0	111.1	L427 L430 L448 L454 L472 K474 L475	L427-L451 HydrophobicContact CD2-CD1 4.11Å; L427-L451 HydrophobicContact CG-CD1 4.24Å; L427-L451 WeakPolarHBondContact O-CA 3.36Å; L427-L451 PolarHBondContact O-N 2.9Å; L430-L451 HydrophobicContact CB-CD1 3.74Å; L448-L451 HydrophobicContact CB-CB 4.08Å; L448-L451 HydrophobicContact CB-CD2 4.39Å; L448-L451 HydrophobicContact CD1-CD2 4.15Å; L448-L451 WeakPolarHBondContact O-CB 3.19Å; L448-L451 PolarHBondContact O-N 3.13Å; L451-L454 HydrophobicContact CD2-CB 4.07Å; L451-L454 HydrophobicContact CD2-CD1 4.49Å; L451-L454 HydrophobicContact CD2-CD2 4.46Å; L451-L472 HydrophobicContact CB-CD2 4.29Å; L451-L472 HydrophobicContact CD2-CD1 4.25Å; L451-L472 HydrophobicContact CD2-CD2 4.03Å; L451-K474 CarbonylContact O-C 3.17Å; L451-L475 HydrophobicContact CD2-CD1 4.08Å; L451-L475 HydrophobicContact CG-CD1 4.19Å; L451-L475 WeakPolarHBondContact O-CA 3.39Å; L451-L475 PolarHBondContact O-N 2.9Å; L451-L475 VanDerWaalsContact O-N 3.1Å
452	E	94.3	Very high	94.7	Very high	51 Å²	51	33 Å²	33	24%	0.238	17%	0.165	C	C	.	.			trans	-105	-30.4	-178.7	-51.3	-153.3	135.5	0	0	112.2	K428 N450 K476 L477	K428-E452 HydrophobicContact CB-CG 4.5Å; K428-E452 PolarHBondContact O-N 3.3Å; N450-E452 WeakPolarHBondContact O-CG 3.19Å; N450-E452 PolarHBondContact O-N 3.12Å; E452-K476 HydrophobicContact CB-CD 4.36Å; E452-K476 PolarHBondContact O-N 3.33Å; E452-K476 VanDerWaalsContact OE1-CE 3.3Å; E452-K476 WeakPolarHBondContact OE1-CE 3.44Å; E452-K476 IonicContact OE1-NZ 2.69Å; E452-K476 PolarHBondContact OE1-NZ 3.04Å; E452-K476 IonicContact OE2-NZ 3.98Å; E452-K476 PolarHBondContact OE2-NZ 3.2Å; E452-L477 PolarHBondContact O-N 2.97Å
453	S	94.6	Very high	94.8	Very high	19 Å²	19	35 Å²	35	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	128.2	-178.7	-49.2	0	0	0	0	112.2	K428 L430	K428-S453 PolarHBondContact O-N 2.99Å; K428-S453 VanDerWaalsContact O-N 3.08Å; L430-S453 PolarHBondContact N-O 2.6Å; L430-S453 VanDerWaalsContact N-O 3.09Å
454	L	97.2	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.7	176.3	179.7	54.1	0	0	0	110.4	L430 F445 L451 L456 F469 L472 L475 L477 L478 S479	L430-L454 HydrophobicContact CB-CD1 4.06Å; L430-L454 HydrophobicContact CD2-CD1 3.94Å; L430-L454 HydrophobicContact CG-CD1 3.96Å; F445-L454 HydrophobicContact CD1-CD2 4.37Å; F445-L454 HydrophobicContact CE1-CD1 4.2Å; F445-L454 HydrophobicContact CE1-CD2 4.05Å; F445-L454 HydrophobicContact CE2-CD2 4.24Å; F445-L454 HydrophobicContact CZ-CD2 3.99Å; L451-L454 HydrophobicContact CD2-CB 4.07Å; L451-L454 HydrophobicContact CD2-CD1 4.49Å; L451-L454 HydrophobicContact CD2-CD2 4.46Å; L454-L456 HydrophobicContact CD1-CD1 4.28Å; L454-L456 HydrophobicContact CD1-CG 4.18Å; L454-L456 HydrophobicContact CD2-CD1 3.91Å; L454-L456 HydrophobicContact CG-CD1 3.87Å; L454-L456 HydrophobicContact CG-CG 4.14Å; L454-F469 HydrophobicContact CD2-CD1 4.28Å; L454-F469 HydrophobicContact CD2-CE1 3.94Å; L454-L472 HydrophobicContact CD2-CD1 4.33Å; L454-L475 HydrophobicContact CB-CD1 3.82Å; L454-L477 PolarHBondContact N-O 3.33Å; L454-L478 HydrophobicContact CB-CD1 4.23Å; L454-L478 HydrophobicContact CD2-CD1 4.04Å; L454-L478 HydrophobicContact CG-CD1 4.13Å; L454-S479 PolarHBondContact O-N 3.48Å
455	Y	95.7	Very high	95.2	Very high	15 Å²	15	34.1 Å²	34.1	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.1	-179.3	-56.5	-86.2	0	0	0	110.4	D253 L430 H431 L432 N433 E457 L477	D253-Y455 PolarHBondContact OD2-OH 3.09Å; L430-Y455 PolarHBondContact O-N 3.17Å; H431-Y455 AromaticContact CE1-CD2 3.52Å; H431-Y455 AromaticContact CE1-CE2 3.54Å; H431-Y455 AromaticContact CG-CD2 3.83Å; H431-Y455 AromaticContact ND1-CD2 3.44Å; H431-Y455 WeakPolarHBondContact ND1-CD2 3.47Å; H431-Y455 AromaticContact ND1-CE2 3.95Å; H431-Y455 AromaticContact ND1-CG 3.9Å; H431-Y455 AromaticContact NE2-CD2 3.92Å; H431-Y455 AromaticContact NE2-CE2 3.85Å; L432-Y455 CarbonylContact C-O 3.36Å; L432-Y455 WeakPolarHBondContact CA-O 3.32Å; L432-Y455 PolarHBondContact N-O 2.91Å; N433-Y455 PolarHBondContact N-O 3.09Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.44Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.43Å; Y455-L477 HydrophobicContact CD1-CD2 4.18Å; Y455-L477 HydrophobicContact CE1-CD1 4.44Å; Y455-L477 HydrophobicContact CE1-CD2 3.72Å
456	L	97.1	Very high	95	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.			trans	-128.5	10.4	-178	-74.2	164.1	0	0	0	111.8	L432 I437 L440 F445 L454 N459 I461 L478 S479 L480 N483	L432-L456 HydrophobicContact CB-CD2 3.71Å; L432-L456 HydrophobicContact CD1-CD2 4.04Å; I437-L456 HydrophobicContact CD1-CD2 4.03Å; L440-L456 HydrophobicContact CD1-CD1 3.95Å; F445-L456 HydrophobicContact CZ-CD1 4.18Å; L454-L456 HydrophobicContact CD1-CD1 4.28Å; L454-L456 HydrophobicContact CD1-CG 4.18Å; L454-L456 HydrophobicContact CD2-CD1 3.91Å; L454-L456 HydrophobicContact CG-CD1 3.87Å; L454-L456 HydrophobicContact CG-CG 4.14Å; L456-N459 WeakPolarHBondContact O-CB 3.31Å; L456-N459 PolarHBondContact O-ND2 2.96Å; L456-I461 HydrophobicContact CB-CD1 4.02Å; L456-I461 HydrophobicContact CD2-CD1 4.35Å; L456-L478 HydrophobicContact CD1-CD1 4.36Å; L456-S479 WeakPolarHBondContact CA-O 3.1Å; L456-S479 WeakPolarHBondContact CB-O 3.5Å; L456-S479 PolarHBondContact N-O 3.13Å; L456-L480 HydrophobicContact CB-CD2 3.85Å; L456-L480 HydrophobicContact CD1-CD2 3.97Å; L456-N483 PolarHBondContact O-ND2 3.48Å
457	E	91.6	Very high	94.9	Very high	22 Å²	22	37 Å²	37	10%	0.103	19%	0.186	C	C	.	.			trans	-63.8	157.1	178.9	66.2	-75.1	169.6	0	0	113.7	N433 G434 Y455 N459 S479 N481	N433-E457 CarbonylContact C-O 3.1Å; N433-E457 WeakPolarHBondContact CA-O 3.08Å; N433-E457 VanDerWaalsContact CB-CD 3.42Å; N433-E457 HydrophobicContact CB-CG 3.87Å; N433-E457 WeakPolarHBondContact CB-O 3.21Å; N433-E457 WeakPolarHBondContact CB-OE1 3.32Å; N433-E457 VanDerWaalsContact CG-OE1 3.25Å; N433-E457 PolarHBondContact ND2-OE1 2.72Å; G434-E457 PolarHBondContact N-O 2.97Å; Y455-E457 WeakPolarHBondContact CA-OE2 3.44Å; Y455-E457 WeakPolarHBondContact CB-OE2 3.43Å; E457-N459 VanDerWaalsContact C-N 3.28Å; E457-N459 PolarHBondContact O-N 3.41Å; E457-N459 PolarHBondContact O-ND2 2.92Å; E457-S479 VanDerWaalsContact OE2-CB 3.23Å; E457-S479 WeakPolarHBondContact OE2-CB 3.12Å; E457-S479 PolarHBondContact OE2-OG 3.23Å; E457-N481 CarbonylContact C-O 3.59Å; E457-N481 WeakPolarHBondContact CA-O 3.46Å; E457-N481 WeakPolarHBondContact CB-O 3.32Å
458	Y	93.1	Very high	95.1	Very high	143 Å²	143	37 Å²	37	56%	0.561	19%	0.186	S	C	*	.	S	Bend	trans	54.6	40.9	-176.1	-54.1	-78	0	0	0	113.4	G434 N481 N482	G434-Y458 VanDerWaalsContact CA-O 3.24Å; G434-Y458 WeakPolarHBondContact CA-O 3.33Å; G434-Y458 PolarHBondContact N-O 3.49Å; Y458-N481 PolarHBondContact N-O 3.48Å; Y458-N481 VanDerWaalsContact N-O 3.11Å; Y458-N482 VanDerWaalsContact CA-O 3.31Å; Y458-N482 WeakPolarHBondContact CA-O 3.39Å; Y458-N482 HydrophobicContact CD1-CB 3.44Å; Y458-N482 VanDerWaalsContact CD1-CB 3.44Å; Y458-N482 HydrophobicContact CE1-CB 3.64Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.46Å; Y458-N482 HydrophobicContact CG-CB 4.05Å; Y458-N482 PolarHBondContact N-O 3.46Å; Y458-N482 PolarHBondContact OH-ND2 3.28Å
459	N	96.3	Very high	95.1	Very high	7 Å²	7	37 Å²	37	4%	0.037	19%	0.186	C	C	.	.	S	Bend	trans	-107.6	-168.8	168.9	-87.1	-90.1	0	0	0	110	L432 N435 R436 I437 L456 E457 I461 N483	L432-N459 PolarHBondContact O-ND2 2.79Å; N435-N459 VanDerWaalsContact CA-OD1 3.31Å; N435-N459 WeakPolarHBondContact CA-OD1 3.16Å; N435-N459 WeakPolarHBondContact CB-OD1 3.35Å; N435-N459 PolarHBondContact N-OD1 3.23Å; N435-N459 PolarHBondContact O-OD1 3.13Å; R436-N459 PolarHBondContact N-OD1 3.24Å; I437-N459 WeakPolarHBondContact CB-OD1 3.16Å; I437-N459 WeakPolarHBondContact CG1-OD1 3.5Å; I437-N459 PolarHBondContact N-OD1 3.15Å; I437-N459 VanDerWaalsContact N-OD1 3.09Å; L456-N459 WeakPolarHBondContact O-CB 3.31Å; L456-N459 PolarHBondContact O-ND2 2.96Å; E457-N459 VanDerWaalsContact C-N 3.28Å; E457-N459 PolarHBondContact O-N 3.41Å; E457-N459 PolarHBondContact O-ND2 2.92Å; N459-I461 HydrophobicContact CB-CD1 4.13Å; N459-I461 HydrophobicContact CB-CG1 3.89Å; N459-N483 WeakPolarHBondContact CA-OD1 3.28Å; N459-N483 WeakPolarHBondContact CB-OD1 3.28Å; N459-N483 PolarHBondContact N-OD1 2.95Å; N459-N483 PolarHBondContact O-OD1 2.88Å
460	L	97.1	Very high	95.1	Very high	62 Å²	62	34.9 Å²	34.9	33%	0.325	18%	0.178	S	C	.	.			trans	-112.4	26.9	179.4	-59.5	177.1	0	0	0	111.6	R436 I437 E438 K462 N483	R436-L460 HydrophobicContact CB-CD1 4.48Å; I437-L460 CarbonylContact O-C 3.32Å; I437-L460 PolarHBondContact O-N 2.98Å; E438-L460 WeakPolarHBondContact CA-O 3.2Å; E438-L460 HydrophobicContact CG-CB 4.19Å; L460-K462 WeakPolarHBondContact O-CG 3.09Å; L460-K462 PolarHBondContact O-N 3.41Å; L460-N483 PolarHBondContact N-OD1 3.01Å
461	I	98.1	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.			trans	-69	117.4	-167.8	-53.8	167	0	0	0	109.6	I437 E438 L440 L456 N459 I464 L480 N483 Q484 L485	I437-I461 HydrophobicContact CB-CG1 4.38Å; I437-I461 HydrophobicContact CG2-CG1 4.3Å; I437-I461 WeakPolarHBondContact O-CA 3.07Å; I437-I461 WeakPolarHBondContact O-CG1 3.34Å; I437-I461 PolarHBondContact O-N 2.81Å; I437-I461 VanDerWaalsContact O-N 3.09Å; E438-I461 WeakPolarHBondContact O-CA 3.32Å; L440-I461 HydrophobicContact CD1-CD1 4.29Å; L440-I461 HydrophobicContact CD2-CD1 4.2Å; L440-I461 HydrophobicContact CG-CD1 4.34Å; L440-I461 HydrophobicContact CG-CG2 4.19Å; L456-I461 HydrophobicContact CB-CD1 4.02Å; L456-I461 HydrophobicContact CD2-CD1 4.35Å; N459-I461 HydrophobicContact CB-CD1 4.13Å; N459-I461 HydrophobicContact CB-CG1 3.89Å; I461-I464 HydrophobicContact CG2-CG1 4.05Å; I461-L480 HydrophobicContact CD1-CD2 3.92Å; I461-N483 HydrophobicContact CB-CB 4.38Å; I461-N483 WeakPolarHBondContact CB-OD1 3.37Å; I461-N483 VanDerWaalsContact CG1-OD1 3.3Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.3Å; I461-N483 PolarHBondContact N-OD1 2.92Å; I461-Q484 CarbonylContact O-C 3.49Å; I461-Q484 WeakPolarHBondContact O-CA 3.29Å; I461-Q484 PolarHBondContact O-N 2.83Å; I461-L485 HydrophobicContact CB-CD2 4.36Å; I461-L485 HydrophobicContact CG2-CD2 3.74Å; I461-L485 PolarHBondContact O-N 2.86Å; I461-L485 VanDerWaalsContact O-N 3.13Å
462	K	96.1	Very high	94.8	Very high	78 Å²	78	33.6 Å²	33.6	34%	0.339	17%	0.172	S	C	.	.			trans	-104.5	-32.4	179.1	-64.2	155.1	-160.8	173.7	0	111.9	E438 L460 Q484	E438-K462 PolarHBondContact O-N 3.08Å; E438-K462 IonicContact OE1-NZ 3.13Å; E438-K462 PolarHBondContact OE1-NZ 2.84Å; E438-K462 IonicContact OE2-NZ 2.73Å; E438-K462 PolarHBondContact OE2-NZ 2.99Å; L460-K462 WeakPolarHBondContact O-CG 3.09Å; L460-K462 PolarHBondContact O-N 3.41Å; K462-Q484 HydrophobicContact CG-CB 3.84Å
463	E	94.6	Very high	94.8	Very high	103 Å²	103	34.4 Å²	34.4	48%	0.481	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.9	-170.9	-172.2	-176.7	166	0	0	110.7	K439 L440	K439-E463 VanDerWaalsContact CA-O 3.32Å; K439-E463 WeakPolarHBondContact CA-O 3.35Å; K439-E463 HydrophobicContact CD-CB 4.33Å; K439-E463 WeakPolarHBondContact CE-OE2 3.49Å; K439-E463 HydrophobicContact CG-CB 4.24Å; K439-E463 IonicContact NZ-OE2 2.8Å; K439-E463 PolarHBondContact NZ-OE2 3.18Å; L440-E463 PolarHBondContact N-O 2.89Å; L440-E463 VanDerWaalsContact N-O 3.14Å
464	I	96.8	Very high	94.9	Very high	7 Å²	7	38 Å²	38	4%	0.036	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.6	172.6	-58.5	178.9	0	0	0	106.9	L440 I461 T468 F469 L480 L485 L488 P489 I492	L440-I464 HydrophobicContact CB-CG1 4.41Å; L440-I464 HydrophobicContact CB-CG2 4.22Å; L440-I464 HydrophobicContact CD1-CD1 4.04Å; L440-I464 HydrophobicContact CD1-CG1 3.94Å; L440-I464 HydrophobicContact CD1-CG2 4.39Å; L440-I464 HydrophobicContact CG-CG1 4.27Å; I461-I464 HydrophobicContact CG2-CG1 4.05Å; I464-T468 HydrophobicContact CG2-CG2 4.1Å; I464-F469 HydrophobicContact CD1-CE2 4.33Å; I464-F469 HydrophobicContact CD1-CZ 4.4Å; I464-F469 HydrophobicContact CG2-CE2 4.29Å; I464-L480 HydrophobicContact CD1-CD1 4.13Å; I464-L485 HydrophobicContact CD1-CD1 4.31Å; I464-L485 HydrophobicContact CD1-CD2 3.86Å; I464-L485 HydrophobicContact CG1-CD2 3.9Å; I464-L488 HydrophobicContact CD1-CD2 4.18Å; I464-P489 VanDerWaalsContact O-CG 3.28Å; I464-P489 WeakPolarHBondContact O-CG 3.37Å; I464-I492 HydrophobicContact CB-CD1 4.11Å; I464-I492 HydrophobicContact CD1-CD1 4.18Å; I464-I492 HydrophobicContact CG2-CD1 3.6Å; I464-I492 HydrophobicContact CG2-CG1 4.42Å
465	A	94.8	Very high	94.8	Very high	20 Å²	20	38 Å²	38	17%	0.165	20%	0.196	C	C	.	.			trans	-74.5	146.7	176.2	0	0	0	0	0	111.6	L440 G467 T468	L440-A465 WeakPolarHBondContact O-CB 3.45Å; L440-A465 PolarHBondContact O-N 2.95Å; A465-G467 PolarHBondContact O-N 3.41Å; A465-T468 PolarHBondContact N-OG1 3.06Å; A465-T468 WeakPolarHBondContact O-CB 3.13Å; A465-T468 PolarHBondContact O-N 3.02Å; A465-T468 PolarHBondContact O-OG1 3.36Å
466	P	92.3	Very high	94.7	Very high	88 Å²	88	41.1 Å²	41.1	57%	0.571	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	129.9	173.1	-24.8	32.8	0	0	0	111.9	T468 P489	P466-T468 PolarHBondContact O-N 3.25Å; P466-P489 HydrophobicContact CB-CB 4.46Å; P466-P489 HydrophobicContact CG-CB 3.99Å
467	G	90.2	Very high	94.5	Very high	11 Å²	11	41.8 Å²	41.8	11%	0.113	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	10.1	176.9	0	0	0	0	0	117.4	A465 F469 N470	A465-G467 PolarHBondContact O-N 3.41Å; G467-F469 PolarHBondContact O-N 2.66Å; G467-F469 VanDerWaalsContact O-N 3.11Å; G467-N470 VanDerWaalsContact CA-CG 3.45Å; G467-N470 VanDerWaalsContact CA-ND2 3.27Å; G467-N470 WeakPolarHBondContact CA-ND2 3.3Å; G467-N470 WeakPolarHBondContact CA-OD1 3.4Å; G467-N470 VanDerWaalsContact O-CB 3.28Å; G467-N470 WeakPolarHBondContact O-CB 3.32Å; G467-N470 PolarHBondContact O-N 3.36Å
468	T	95.4	Very high	94.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-37.3	176.6	-69	0	0	0	0	114.8	L440 F441 F445 I464 A465 P466	L440-T468 HydrophobicContact CB-CG2 3.76Å; L440-T468 HydrophobicContact CD1-CG2 4.31Å; F441-T468 PolarHBondContact O-OG1 2.76Å; F445-T468 HydrophobicContact CD2-CG2 3.7Å; F445-T468 HydrophobicContact CE2-CG2 3.69Å; I464-T468 HydrophobicContact CG2-CG2 4.1Å; A465-T468 PolarHBondContact N-OG1 3.06Å; A465-T468 WeakPolarHBondContact O-CB 3.13Å; A465-T468 PolarHBondContact O-N 3.02Å; A465-T468 PolarHBondContact O-OG1 3.36Å; P466-T468 PolarHBondContact O-N 3.25Å
469	F	95.9	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.5	-178.2	-53.4	-60	0	0	0	113.9	L440 F445 L454 I464 G467 P471 L472 L478 L480 I492 F493 V496	L440-F469 HydrophobicContact CD1-CE1 4.21Å; L440-F469 HydrophobicContact CD1-CZ 3.8Å; F445-F469 HydrophobicContact CD2-CD1 4.19Å; F445-F469 HydrophobicContact CD2-CE1 4.2Å; F445-F469 HydrophobicContact CE2-CD1 4.32Å; F445-F469 AromaticContact CE2-CE1 3.86Å; F445-F469 HydrophobicContact CE2-CE1 3.86Å; L454-F469 HydrophobicContact CD2-CD1 4.28Å; L454-F469 HydrophobicContact CD2-CE1 3.94Å; I464-F469 HydrophobicContact CD1-CE2 4.33Å; I464-F469 HydrophobicContact CD1-CZ 4.4Å; I464-F469 HydrophobicContact CG2-CE2 4.29Å; G467-F469 PolarHBondContact O-N 2.66Å; G467-F469 VanDerWaalsContact O-N 3.11Å; F469-P471 VanDerWaalsContact C-N 3.27Å; F469-P471 VanDerWaalsContact O-N 3.15Å; F469-L472 HydrophobicContact CB-CD1 4.3Å; F469-L472 HydrophobicContact CD1-CD1 3.99Å; F469-L472 VanDerWaalsContact O-CB 3.27Å; F469-L472 WeakPolarHBondContact O-CB 3.41Å; F469-L472 PolarHBondContact O-N 2.85Å; F469-L478 HydrophobicContact CD1-CD2 4.46Å; F469-L478 HydrophobicContact CD2-CD2 3.88Å; F469-L478 HydrophobicContact CE1-CD1 3.99Å; F469-L478 HydrophobicContact CE1-CD2 4.17Å; F469-L478 HydrophobicContact CE2-CD2 3.54Å; F469-L478 HydrophobicContact CG-CD2 4.34Å; F469-L478 HydrophobicContact CZ-CD1 4.01Å; F469-L478 HydrophobicContact CZ-CD2 3.7Å; F469-L480 HydrophobicContact CZ-CD1 4.48Å; F469-I492 HydrophobicContact CD2-CD1 4.28Å; F469-I492 HydrophobicContact CD2-CG1 3.76Å; F469-I492 HydrophobicContact CE2-CD1 4Å; F469-I492 HydrophobicContact CE2-CG1 4.01Å; F469-F493 HydrophobicContact CD2-CD1 4.19Å; F469-F493 AromaticContact CD2-CE1 3.99Å; F469-F493 HydrophobicContact CD2-CE1 3.99Å; F469-F493 HydrophobicContact CE2-CE1 4.28Å; F469-V496 HydrophobicContact CB-CG2 3.99Å; F469-V496 VanDerWaalsContact O-CG2 3.22Å; F469-V496 WeakPolarHBondContact O-CG2 3.01Å
470	N	92.2	Very high	94.9	Very high	51 Å²	51	34 Å²	34	27%	0.273	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.9	179.6	-61.2	2	0	0	0	114.8	G467 L472 Q491 R494	G467-N470 VanDerWaalsContact CA-CG 3.45Å; G467-N470 VanDerWaalsContact CA-ND2 3.27Å; G467-N470 WeakPolarHBondContact CA-ND2 3.3Å; G467-N470 WeakPolarHBondContact CA-OD1 3.4Å; G467-N470 VanDerWaalsContact O-CB 3.28Å; G467-N470 WeakPolarHBondContact O-CB 3.32Å; G467-N470 PolarHBondContact O-N 3.36Å; N470-L472 PolarHBondContact O-N 3.07Å; N470-Q491 PolarHBondContact OD1-O 2.67Å; N470-R494 PolarHBondContact OD1-N 3.29Å; N470-R494 PolarHBondContact OD1-O 3.28Å; N470-R494 VanDerWaalsContact OD1-O 3.14Å
471	P	92.7	Very high	94.8	Very high	28 Å²	28	32 Å²	32	18%	0.182	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.3	173.5	-21.3	34.7	0	0	0	115.9	V446 F469 P473	V446-P471 HydrophobicContact CG2-CB 4.24Å; V446-P471 HydrophobicContact CG2-CG 3.83Å; F469-P471 VanDerWaalsContact C-N 3.27Å; F469-P471 VanDerWaalsContact O-N 3.15Å; P471-P473 VanDerWaalsContact C-CD 3.42Å; P471-P473 WeakPolarHBondContact O-CD 3.36Å
472	L	95.7	Very high	94.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.			trans	-112	69.4	-167.4	-54.8	176.6	0	0	0	113.1	F445 L448 L451 L454 F469 N470 K474 L475	F445-L472 HydrophobicContact CB-CD1 4.1Å; F445-L472 HydrophobicContact CB-CD2 4.06Å; F445-L472 HydrophobicContact CB-CG 4.27Å; F445-L472 HydrophobicContact CG-CD1 4.45Å; L448-L472 HydrophobicContact CB-CD2 3.42Å; L448-L472 VanDerWaalsContact CB-CD2 3.42Å; L448-L472 HydrophobicContact CD1-CD2 4.47Å; L448-L472 WeakPolarHBondContact O-CD2 3.25Å; L451-L472 HydrophobicContact CB-CD2 4.29Å; L451-L472 HydrophobicContact CD2-CD1 4.25Å; L451-L472 HydrophobicContact CD2-CD2 4.03Å; L454-L472 HydrophobicContact CD2-CD1 4.33Å; F469-L472 HydrophobicContact CB-CD1 4.3Å; F469-L472 HydrophobicContact CD1-CD1 3.99Å; F469-L472 VanDerWaalsContact O-CB 3.27Å; F469-L472 WeakPolarHBondContact O-CB 3.41Å; F469-L472 PolarHBondContact O-N 2.85Å; N470-L472 PolarHBondContact O-N 3.07Å; L472-K474 PolarHBondContact O-N 3.01Å; L472-L475 HydrophobicContact CB-CB 3.93Å; L472-L475 HydrophobicContact CD1-CD2 3.89Å; L472-L475 PolarHBondContact O-N 2.73Å
473	P	93.8	Very high	94.6	Very high	69 Å²	69	30.4 Å²	30.4	45%	0.448	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-2.4	-171	31.7	-39.5	0	0	0	115.1	P471 P497	P471-P473 VanDerWaalsContact C-CD 3.42Å; P471-P473 WeakPolarHBondContact O-CD 3.36Å; P473-P497 WeakPolarHBondContact O-CG 3.48Å
474	K	95.3	Very high	94.7	Very high	95 Å²	95	29.2 Å²	29.2	41%	0.413	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	5.2	177.5	-64	-163.6	-171.6	174.2	0	114.3	N450 L451 L472 K476	N450-K474 WeakPolarHBondContact OD1-CE 3.45Å; N450-K474 PolarHBondContact OD1-NZ 2.71Å; L451-K474 CarbonylContact O-C 3.17Å; L472-K474 PolarHBondContact O-N 3.01Å; K474-K476 PolarHBondContact O-N 3.29Å; K474-K476 VanDerWaalsContact O-N 3.09Å
475	L	96.7	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.			trans	-67.2	112.9	-176	-171	71.4	0	0	0	110.7	L451 L454 L472 L477 L478 V496 P497 L498	L451-L475 HydrophobicContact CD2-CD1 4.08Å; L451-L475 HydrophobicContact CG-CD1 4.19Å; L451-L475 WeakPolarHBondContact O-CA 3.39Å; L451-L475 PolarHBondContact O-N 2.9Å; L451-L475 VanDerWaalsContact O-N 3.1Å; L454-L475 HydrophobicContact CB-CD1 3.82Å; L472-L475 HydrophobicContact CB-CB 3.93Å; L472-L475 HydrophobicContact CD1-CD2 3.89Å; L472-L475 PolarHBondContact O-N 2.73Å; L475-L477 VanDerWaalsContact CD1-O 3.31Å; L475-L477 WeakPolarHBondContact CD1-O 2.98Å; L475-L478 HydrophobicContact CD2-CB 4.2Å; L475-V496 HydrophobicContact CB-CG1 3.8Å; L475-V496 HydrophobicContact CD2-CG1 4.08Å; L475-V496 HydrophobicContact CG-CG1 4.45Å; L475-P497 CarbonylContact O-C 3.52Å; L475-P497 VanDerWaalsContact O-C 3.31Å; L475-L498 HydrophobicContact CB-CD2 4.48Å; L475-L498 HydrophobicContact CD2-CD2 3.86Å; L475-L498 HydrophobicContact CG-CD2 3.84Å; L475-L498 PolarHBondContact O-N 2.92Å
476	K	92.5	Very high	94.7	Very high	80 Å²	80	30.6 Å²	30.6	35%	0.348	17%	0.171	S	C	.	.			trans	-94.2	-38.1	177.7	-60.6	167.9	-164.7	165.8	0	110.6	E452 K474 V499 K500	E452-K476 HydrophobicContact CB-CD 4.36Å; E452-K476 PolarHBondContact O-N 3.33Å; E452-K476 VanDerWaalsContact OE1-CE 3.3Å; E452-K476 WeakPolarHBondContact OE1-CE 3.44Å; E452-K476 IonicContact OE1-NZ 2.69Å; E452-K476 PolarHBondContact OE1-NZ 3.04Å; E452-K476 IonicContact OE2-NZ 3.98Å; E452-K476 PolarHBondContact OE2-NZ 3.2Å; K474-K476 PolarHBondContact O-N 3.29Å; K474-K476 VanDerWaalsContact O-N 3.09Å; K476-V499 HydrophobicContact CB-CB 4.2Å; K476-V499 HydrophobicContact CB-CG2 4.34Å; K476-V499 WeakPolarHBondContact O-CA 3.41Å; K476-V499 WeakPolarHBondContact O-CB 3.4Å; K476-V499 PolarHBondContact O-N 2.85Å; K476-K500 PolarHBondContact O-N 3.04Å
477	L	93.5	Very high	94.8	Very high	13 Å²	13	29 Å²	29	7%	0.068	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125	-175	-177.9	156.9	0	0	0	110.9	D253 E452 L454 Y455 L475 K500	D253-L477 HydrophobicContact CB-CD1 4.43Å; D253-L477 WeakPolarHBondContact OD1-CD1 3.42Å; D253-L477 WeakPolarHBondContact OD2-CD1 3.45Å; E452-L477 PolarHBondContact O-N 2.97Å; L454-L477 PolarHBondContact N-O 3.33Å; Y455-L477 HydrophobicContact CD1-CD2 4.18Å; Y455-L477 HydrophobicContact CE1-CD1 4.44Å; Y455-L477 HydrophobicContact CE1-CD2 3.72Å; L475-L477 VanDerWaalsContact CD1-O 3.31Å; L475-L477 WeakPolarHBondContact CD1-O 2.98Å; L477-K500 HydrophobicContact CD1-CD 4.12Å; L477-K500 HydrophobicContact CG-CB 4.39Å
478	L	97	Very high	95	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.9	167.6	176.6	58.8	0	0	0	109.9	L454 L456 F469 L475 L480 F493 L498 K500 L501 N502	L454-L478 HydrophobicContact CB-CD1 4.23Å; L454-L478 HydrophobicContact CD2-CD1 4.04Å; L454-L478 HydrophobicContact CG-CD1 4.13Å; L456-L478 HydrophobicContact CD1-CD1 4.36Å; F469-L478 HydrophobicContact CD1-CD2 4.46Å; F469-L478 HydrophobicContact CD2-CD2 3.88Å; F469-L478 HydrophobicContact CE1-CD1 3.99Å; F469-L478 HydrophobicContact CE1-CD2 4.17Å; F469-L478 HydrophobicContact CE2-CD2 3.54Å; F469-L478 HydrophobicContact CG-CD2 4.34Å; F469-L478 HydrophobicContact CZ-CD1 4.01Å; F469-L478 HydrophobicContact CZ-CD2 3.7Å; L475-L478 HydrophobicContact CD2-CB 4.2Å; L478-L480 HydrophobicContact CD1-CD1 4.2Å; L478-L480 HydrophobicContact CD1-CG 4.04Å; L478-L480 HydrophobicContact CD2-CD1 3.82Å; L478-L480 HydrophobicContact CG-CD1 3.89Å; L478-L480 HydrophobicContact CG-CG 4.06Å; L478-F493 HydrophobicContact CD2-CE1 3.87Å; L478-L498 HydrophobicContact CB-CD1 4.18Å; L478-L498 HydrophobicContact CB-CD2 3.66Å; L478-L498 HydrophobicContact CD2-CD1 4.13Å; L478-K500 PolarHBondContact N-O 3.39Å; L478-K500 VanDerWaalsContact N-O 3.1Å; L478-L501 HydrophobicContact CB-CD1 4.21Å; L478-L501 HydrophobicContact CD2-CD1 4.01Å; L478-L501 HydrophobicContact CG-CD1 4.13Å; L478-N502 PolarHBondContact O-N 2.74Å
479	S	95.5	Very high	95	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116	178.9	175.3	0	0	0	0	110.3	L454 L456 E457 N481	L454-S479 PolarHBondContact O-N 3.48Å; L456-S479 WeakPolarHBondContact CA-O 3.1Å; L456-S479 WeakPolarHBondContact CB-O 3.5Å; L456-S479 PolarHBondContact N-O 3.13Å; E457-S479 VanDerWaalsContact OE2-CB 3.23Å; E457-S479 WeakPolarHBondContact OE2-CB 3.12Å; E457-S479 PolarHBondContact OE2-OG 3.23Å; S479-N481 PolarHBondContact OG-OD1 2.93Å
480	L	96.9	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.			trans	-129.5	13.9	-176.6	-76.4	168	0	0	0	112.1	L456 I461 I464 F469 L478 N483 L485 N502 L503 N506	L456-L480 HydrophobicContact CB-CD2 3.85Å; L456-L480 HydrophobicContact CD1-CD2 3.97Å; I461-L480 HydrophobicContact CD1-CD2 3.92Å; I464-L480 HydrophobicContact CD1-CD1 4.13Å; F469-L480 HydrophobicContact CZ-CD1 4.48Å; L478-L480 HydrophobicContact CD1-CD1 4.2Å; L478-L480 HydrophobicContact CD1-CG 4.04Å; L478-L480 HydrophobicContact CD2-CD1 3.82Å; L478-L480 HydrophobicContact CG-CD1 3.89Å; L478-L480 HydrophobicContact CG-CG 4.06Å; L480-N483 WeakPolarHBondContact O-CB 3.17Å; L480-N483 PolarHBondContact O-ND2 3.3Å; L480-L485 HydrophobicContact CB-CD1 4.19Å; L480-L485 HydrophobicContact CD1-CD1 4.23Å; L480-N502 CarbonylContact C-O 3.53Å; L480-N502 WeakPolarHBondContact CA-O 3.25Å; L480-N502 WeakPolarHBondContact CB-O 3.29Å; L480-N502 PolarHBondContact N-O 3.25Å; L480-L503 HydrophobicContact CB-CD2 4.17Å; L480-L503 HydrophobicContact CD1-CD2 4.15Å; L480-N506 PolarHBondContact O-ND2 3.11Å
481	N	93.9	Very high	94.6	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.102	19%	0.19	C	C	.	.			trans	-70.7	157.7	-176.4	54.4	-77.7	0	0	0	113.8	E457 Y458 S479 N483 N502 R504	E457-N481 CarbonylContact C-O 3.59Å; E457-N481 WeakPolarHBondContact CA-O 3.46Å; E457-N481 WeakPolarHBondContact CB-O 3.32Å; Y458-N481 PolarHBondContact N-O 3.48Å; Y458-N481 VanDerWaalsContact N-O 3.11Å; S479-N481 PolarHBondContact OG-OD1 2.93Å; N481-N483 PolarHBondContact O-ND2 2.97Å; N481-N502 PolarHBondContact N-O 2.95Å; N481-N502 PolarHBondContact OD1-ND2 2.99Å; N481-N502 VanDerWaalsContact OD1-ND2 3.1Å; N481-R504 CarbonylContact C-O 3.57Å; N481-R504 WeakPolarHBondContact CA-O 3.36Å; N481-R504 HydrophobicContact CB-CB 4.06Å; N481-R504 WeakPolarHBondContact CB-O 3.49Å
482	N	93.8	Very high	94.6	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.182	18%	0.181	C	C	.	.	S	Bend	trans	54.3	54.9	-172.8	-49.1	-81.3	0	0	0	111.9	Y458 R504 K505	Y458-N482 VanDerWaalsContact CA-O 3.31Å; Y458-N482 WeakPolarHBondContact CA-O 3.39Å; Y458-N482 HydrophobicContact CD1-CB 3.44Å; Y458-N482 VanDerWaalsContact CD1-CB 3.44Å; Y458-N482 HydrophobicContact CE1-CB 3.64Å; Y458-N482 WeakPolarHBondContact CE1-ND2 3.46Å; Y458-N482 HydrophobicContact CG-CB 4.05Å; Y458-N482 PolarHBondContact N-O 3.46Å; Y458-N482 PolarHBondContact OH-ND2 3.28Å; N482-R504 PolarHBondContact N-O 3.3Å; N482-R504 VanDerWaalsContact N-O 3.07Å; N482-K505 WeakPolarHBondContact CA-O 3.4Å; N482-K505 PolarHBondContact N-O 3.46Å; N482-K505 WeakPolarHBondContact OD1-CD 3.5Å
483	N	97.1	Very high	94.5	Very high	11 Å²	11	32.1 Å²	32.1	6%	0.059	18%	0.181	C	C	.	.	S	Bend	trans	-128.2	-171.8	174.2	-87.6	-76.6	0	0	0	109.7	L456 N459 L460 I461 L480 N481 L485 K505 N506	L456-N483 PolarHBondContact O-ND2 3.48Å; N459-N483 WeakPolarHBondContact CA-OD1 3.28Å; N459-N483 WeakPolarHBondContact CB-OD1 3.28Å; N459-N483 PolarHBondContact N-OD1 2.95Å; N459-N483 PolarHBondContact O-OD1 2.88Å; L460-N483 PolarHBondContact N-OD1 3.01Å; I461-N483 HydrophobicContact CB-CB 4.38Å; I461-N483 WeakPolarHBondContact CB-OD1 3.37Å; I461-N483 VanDerWaalsContact CG1-OD1 3.3Å; I461-N483 WeakPolarHBondContact CG1-OD1 3.3Å; I461-N483 PolarHBondContact N-OD1 2.92Å; L480-N483 WeakPolarHBondContact O-CB 3.17Å; L480-N483 PolarHBondContact O-ND2 3.3Å; N481-N483 PolarHBondContact O-ND2 2.97Å; N483-L485 HydrophobicContact CB-CG 4.42Å; N483-K505 PolarHBondContact N-O 3.01Å; N483-N506 WeakPolarHBondContact CA-OD1 3.4Å; N483-N506 WeakPolarHBondContact CB-OD1 3.3Å; N483-N506 PolarHBondContact O-OD1 2.89Å
484	Q	97.3	Very high	94.3	Very high	78 Å²	78	35.2 Å²	35.2	36%	0.364	18%	0.184	S	C	.	.			trans	-114.3	25.8	-175.7	-59.7	-174.7	1.4	0	0	112.2	I461 K462 S486 N506 L507	I461-Q484 CarbonylContact O-C 3.49Å; I461-Q484 WeakPolarHBondContact O-CA 3.29Å; I461-Q484 PolarHBondContact O-N 2.83Å; K462-Q484 HydrophobicContact CG-CB 3.84Å; Q484-S486 PolarHBondContact O-N 3.35Å; Q484-N506 PolarHBondContact N-OD1 3.4Å; Q484-L507 HydrophobicContact CB-CD1 4.19Å
485	L	97.2	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.			trans	-66.8	121.7	-176.8	-63	171.1	0	0	0	110.5	I461 I464 L480 N483 L488 L503 N506 L507 L508	I461-L485 HydrophobicContact CB-CD2 4.36Å; I461-L485 HydrophobicContact CG2-CD2 3.74Å; I461-L485 PolarHBondContact O-N 2.86Å; I461-L485 VanDerWaalsContact O-N 3.13Å; I464-L485 HydrophobicContact CD1-CD1 4.31Å; I464-L485 HydrophobicContact CD1-CD2 3.86Å; I464-L485 HydrophobicContact CG1-CD2 3.9Å; L480-L485 HydrophobicContact CB-CD1 4.19Å; L480-L485 HydrophobicContact CD1-CD1 4.23Å; N483-L485 HydrophobicContact CB-CG 4.42Å; L485-L488 HydrophobicContact CD1-CD2 4.29Å; L485-L503 HydrophobicContact CD1-CD2 4.19Å; L485-N506 HydrophobicContact CB-CB 4.29Å; L485-N506 VanDerWaalsContact CB-OD1 3.3Å; L485-N506 WeakPolarHBondContact CB-OD1 3.29Å; L485-N506 WeakPolarHBondContact CG-OD1 3.38Å; L485-N506 PolarHBondContact N-OD1 2.78Å; L485-L507 CarbonylContact O-C 3.31Å; L485-L507 VanDerWaalsContact O-CA 3.29Å; L485-L507 WeakPolarHBondContact O-CA 3.34Å; L485-L507 PolarHBondContact O-N 3.27Å; L485-L508 HydrophobicContact CB-CD2 4.28Å; L485-L508 PolarHBondContact O-N 2.86Å
486	S	94.4	Very high	93.8	Very high	56 Å²	56	36.9 Å²	36.9	39%	0.392	20%	0.197	S	C	.	.			trans	-97.1	-22.9	176.6	58.6	0	0	0	0	113.4	Q484	Q484-S486 PolarHBondContact O-N 3.35Å
487	S	93.6	Very high	93.7	Very high	54 Å²	54	35.1 Å²	35.1	38%	0.378	20%	0.195	S	C	.	.			trans	-160.1	169.7	178.3	57.1	0	0	0	0	110.4
488	L	94.9	Very high	93.8	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.042	19%	0.192	C	C	.	.			trans	-119.2	137.9	168.7	-62.4	-176.1	0	0	0	109.9	I464 L485 I492 F493 L503 L511 V516	I464-L488 HydrophobicContact CD1-CD2 4.18Å; L485-L488 HydrophobicContact CD1-CD2 4.29Å; L488-I492 HydrophobicContact CB-CD1 4.43Å; L488-I492 HydrophobicContact CD2-CD1 4.22Å; L488-F493 HydrophobicContact CD1-CE2 4.06Å; L488-F493 HydrophobicContact CD1-CZ 3.97Å; L488-L503 HydrophobicContact CD1-CD1 4.2Å; L488-L511 HydrophobicContact CB-CD1 4.46Å; L488-L511 HydrophobicContact CD1-CD1 3.84Å; L488-L511 HydrophobicContact CG-CD1 4.11Å; L488-V516 HydrophobicContact CB-CG1 4.24Å; L488-V516 HydrophobicContact CD1-CG1 4.3Å
489	P	94.4	Very high	93.5	Very high	30 Å²	30	35.3 Å²	35.3	20%	0.195	20%	0.196	C	C	.	.			trans	-69.6	155	176.9	32	-39.6	0	0	0	112.2	I464 P466 I492 V516	I464-P489 VanDerWaalsContact O-CG 3.28Å; I464-P489 WeakPolarHBondContact O-CG 3.37Å; P466-P489 HydrophobicContact CB-CB 4.46Å; P466-P489 HydrophobicContact CG-CB 3.99Å; P489-I492 HydrophobicContact CG-CB 4.15Å; P489-I492 HydrophobicContact CG-CD1 3.88Å; P489-I492 HydrophobicContact CG-CG1 4.44Å; P489-I492 WeakPolarHBondContact O-CB 3.27Å; P489-I492 VanDerWaalsContact O-CG2 3.22Å; P489-I492 WeakPolarHBondContact O-CG2 3.31Å; P489-V516 WeakPolarHBondContact O-CG2 3.02Å
490	A	90.9	Very high	93.1	Very high	55 Å²	55	35.9 Å²	35.9	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	149	169.8	0	0	0	0	0	112.1	I492 N515	A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.11Å; A490-N515 HydrophobicContact CB-CB 3.94Å
491	Q	88.9	Confident	93	Very high	62 Å²	62	35.9 Å²	35.9	29%	0.29	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25.6	176.1	-55.1	-73.9	-28.9	0	0	114.4	N470 N515	N470-Q491 PolarHBondContact OD1-O 2.67Å; Q491-N515 PolarHBondContact N-O 2.82Å; Q491-N515 PolarHBondContact NE2-OD1 3.28Å
492	I	93.9	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.2	-178.4	-177	160.1	0	0	0	115	I464 F469 L488 P489 A490 V516	I464-I492 HydrophobicContact CB-CD1 4.11Å; I464-I492 HydrophobicContact CD1-CD1 4.18Å; I464-I492 HydrophobicContact CG2-CD1 3.6Å; I464-I492 HydrophobicContact CG2-CG1 4.42Å; F469-I492 HydrophobicContact CD2-CD1 4.28Å; F469-I492 HydrophobicContact CD2-CG1 3.76Å; F469-I492 HydrophobicContact CE2-CD1 4Å; F469-I492 HydrophobicContact CE2-CG1 4.01Å; L488-I492 HydrophobicContact CB-CD1 4.43Å; L488-I492 HydrophobicContact CD2-CD1 4.22Å; P489-I492 HydrophobicContact CG-CB 4.15Å; P489-I492 HydrophobicContact CG-CD1 3.88Å; P489-I492 HydrophobicContact CG-CG1 4.44Å; P489-I492 WeakPolarHBondContact O-CB 3.27Å; P489-I492 VanDerWaalsContact O-CG2 3.22Å; P489-I492 WeakPolarHBondContact O-CG2 3.31Å; A490-I492 VanDerWaalsContact C-N 3.26Å; A490-I492 PolarHBondContact O-N 3.11Å; I492-V516 HydrophobicContact CG2-CG1 3.96Å; I492-V516 HydrophobicContact CG2-CG2 4.49Å
493	F	93.4	Very high	93.1	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	21.1	-176.9	-55.8	-50.2	0	0	0	112.2	F469 L478 L488 N495 V496 L498 L501 V516 Q519 L520	F469-F493 HydrophobicContact CD2-CD1 4.19Å; F469-F493 AromaticContact CD2-CE1 3.99Å; F469-F493 HydrophobicContact CD2-CE1 3.99Å; F469-F493 HydrophobicContact CE2-CE1 4.28Å; L478-F493 HydrophobicContact CD2-CE1 3.87Å; L488-F493 HydrophobicContact CD1-CE2 4.06Å; L488-F493 HydrophobicContact CD1-CZ 3.97Å; F493-N495 PolarHBondContact O-N 2.86Å; F493-V496 PolarHBondContact O-N 3.08Å; F493-V496 VanDerWaalsContact O-N 3.12Å; F493-L498 HydrophobicContact CD1-CD1 3.55Å; F493-L498 HydrophobicContact CE1-CD1 3.71Å; F493-L498 HydrophobicContact CG-CD1 4.2Å; F493-L498 HydrophobicContact CZ-CD1 4.47Å; F493-L501 HydrophobicContact CE2-CD2 3.79Å; F493-L501 HydrophobicContact CZ-CD1 4.18Å; F493-L501 HydrophobicContact CZ-CD2 3.66Å; F493-V516 HydrophobicContact CD2-CG1 4.42Å; F493-V516 HydrophobicContact CE2-CG1 4.2Å; F493-Q519 HydrophobicContact CB-CB 4.4Å; F493-L520 HydrophobicContact CB-CD2 3.56Å; F493-L520 HydrophobicContact CB-CG 4.27Å; F493-L520 HydrophobicContact CD1-CD2 4.43Å; F493-L520 HydrophobicContact CD2-CD1 3.75Å; F493-L520 HydrophobicContact CD2-CD2 3.62Å; F493-L520 HydrophobicContact CD2-CG 3.76Å; F493-L520 HydrophobicContact CE2-CD1 3.97Å; F493-L520 HydrophobicContact CE2-CD2 4.42Å; F493-L520 HydrophobicContact CE2-CG 4.48Å; F493-L520 HydrophobicContact CG-CD2 3.63Å; F493-L520 HydrophobicContact CG-CG 4.26Å
494	R	90.1	Very high	92.9	Very high	134 Å²	134	38.2 Å²	38.2	51%	0.506	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	123.2	-176.6	-177.9	-178.7	178.8	173.1	-1.3	110.3	N470 V496	N470-R494 PolarHBondContact OD1-N 3.29Å; N470-R494 PolarHBondContact OD1-O 3.28Å; N470-R494 VanDerWaalsContact OD1-O 3.14Å; R494-V496 PolarHBondContact O-N 3.35Å
495	N	86.5	Confident	92.6	Very high	123 Å²	123	39.1 Å²	39.1	66%	0.658	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	13.6	-174.9	-44.8	-22.7	0	0	0	114.8	F493	F493-N495 PolarHBondContact O-N 2.86Å
496	V	93.1	Very high	92.6	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	21%	0.208	C	C	.	.			trans	-103.1	115.4	-177.9	-163.8	0	0	0	0	109.9	F469 L475 F493 R494 L498	F469-V496 HydrophobicContact CB-CG2 3.99Å; F469-V496 VanDerWaalsContact O-CG2 3.22Å; F469-V496 WeakPolarHBondContact O-CG2 3.01Å; L475-V496 HydrophobicContact CB-CG1 3.8Å; L475-V496 HydrophobicContact CD2-CG1 4.08Å; L475-V496 HydrophobicContact CG-CG1 4.45Å; F493-V496 PolarHBondContact O-N 3.08Å; F493-V496 VanDerWaalsContact O-N 3.12Å; R494-V496 PolarHBondContact O-N 3.35Å; V496-L498 HydrophobicContact CG1-CD1 4.46Å; V496-L498 HydrophobicContact CG1-CD2 4.45Å; V496-L498 HydrophobicContact CG1-CG 3.86Å; V496-L498 PolarHBondContact O-N 2.02Å
497	P	92.3	Very high	92.8	Very high	44 Å²	44	41.1 Å²	41.1	29%	0.286	21%	0.212	S	C	.	.			trans	-82.5	53.6	-174.7	36.3	-38	0	0	0	112.3	P473 L475 V499 V522	P473-P497 WeakPolarHBondContact O-CG 3.48Å; L475-P497 CarbonylContact O-C 3.52Å; L475-P497 VanDerWaalsContact O-C 3.31Å; P497-V499 PolarHBondContact O-N 2.86Å; P497-V522 VanDerWaalsContact C-CG2 3.47Å; P497-V522 HydrophobicContact CB-CG2 3.87Å
498	L	94.8	Very high	92.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.194	C	C	.	.			trans	-63.2	123.1	-176.1	-82	177.5	0	0	0	112.1	L475 L478 F493 V496 L520 V522 L523	L475-L498 HydrophobicContact CB-CD2 4.48Å; L475-L498 HydrophobicContact CD2-CD2 3.86Å; L475-L498 HydrophobicContact CG-CD2 3.84Å; L475-L498 PolarHBondContact O-N 2.92Å; L478-L498 HydrophobicContact CB-CD1 4.18Å; L478-L498 HydrophobicContact CB-CD2 3.66Å; L478-L498 HydrophobicContact CD2-CD1 4.13Å; F493-L498 HydrophobicContact CD1-CD1 3.55Å; F493-L498 HydrophobicContact CE1-CD1 3.71Å; F493-L498 HydrophobicContact CG-CD1 4.2Å; F493-L498 HydrophobicContact CZ-CD1 4.47Å; V496-L498 HydrophobicContact CG1-CD1 4.46Å; V496-L498 HydrophobicContact CG1-CD2 4.45Å; V496-L498 HydrophobicContact CG1-CG 3.86Å; V496-L498 PolarHBondContact O-N 2.02Å; L498-L520 HydrophobicContact CB-CD2 3.9Å; L498-L520 HydrophobicContact CD1-CD2 4.1Å; L498-V522 CarbonylContact O-C 3.48Å; L498-L523 WeakPolarHBondContact O-CA 3.22Å; L498-L523 PolarHBondContact O-N 3.14Å
499	V	89.8	Confident	92.8	Very high	16 Å²	16	42.6 Å²	42.6	10%	0.097	21%	0.214	C	C	.	.	S	Bend	trans	-95.6	-46.3	178.4	159.7	0	0	0	0	110.5	K476 P497 E524 Q525	K476-V499 HydrophobicContact CB-CB 4.2Å; K476-V499 HydrophobicContact CB-CG2 4.34Å; K476-V499 WeakPolarHBondContact O-CA 3.41Å; K476-V499 WeakPolarHBondContact O-CB 3.4Å; K476-V499 PolarHBondContact O-N 2.85Å; P497-V499 PolarHBondContact O-N 2.86Å; V499-E524 HydrophobicContact CG1-CB 4.38Å; V499-E524 WeakPolarHBondContact CG1-OE2 3.39Å; V499-E524 WeakPolarHBondContact CG2-OE2 3.14Å; V499-E524 PolarHBondContact O-N 3.31Å; V499-Q525 PolarHBondContact O-N 2.83Å
500	K	87.8	Confident	92.7	Very high	21 Å²	21	45.2 Å²	45.2	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.4	172.3	-47.5	-165.5	-157.3	-177.6	0	110.8	D253 V282 K476 L477 L478 Q525	D253-K500 IonicContact OD1-NZ 2.69Å; D253-K500 PolarHBondContact OD1-NZ 3.2Å; V282-K500 HydrophobicContact CG1-CD 4.28Å; V282-K500 HydrophobicContact CG2-CD 4.45Å; K476-K500 PolarHBondContact O-N 3.04Å; L477-K500 HydrophobicContact CD1-CD 4.12Å; L477-K500 HydrophobicContact CG-CB 4.39Å; L478-K500 PolarHBondContact N-O 3.39Å; L478-K500 VanDerWaalsContact N-O 3.1Å; K500-Q525 WeakPolarHBondContact CA-O 3.09Å; K500-Q525 HydrophobicContact CG-CB 4.42Å
501	L	95.3	Very high	92.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.5	170.6	174.8	57.1	0	0	0	110	L478 F493 L503 L520 L523 Q525 I526 Y527	L478-L501 HydrophobicContact CB-CD1 4.21Å; L478-L501 HydrophobicContact CD2-CD1 4.01Å; L478-L501 HydrophobicContact CG-CD1 4.13Å; F493-L501 HydrophobicContact CE2-CD2 3.79Å; F493-L501 HydrophobicContact CZ-CD1 4.18Å; F493-L501 HydrophobicContact CZ-CD2 3.66Å; L501-L503 HydrophobicContact CD1-CD2 4.29Å; L501-L503 HydrophobicContact CD1-CG 4.13Å; L501-L503 HydrophobicContact CD2-CD1 4.04Å; L501-L503 HydrophobicContact CD2-CG 4.48Å; L501-L503 HydrophobicContact CG-CD1 4.13Å; L501-L503 HydrophobicContact CG-CG 4.05Å; L501-L520 HydrophobicContact CD2-CD1 3.94Å; L501-L523 HydrophobicContact CB-CD1 4.24Å; L501-Q525 PolarHBondContact N-O 2.83Å; L501-I526 HydrophobicContact CB-CG1 4.21Å; L501-I526 HydrophobicContact CD2-CD1 3.99Å; L501-I526 HydrophobicContact CD2-CG1 4.37Å; L501-I526 HydrophobicContact CG-CD1 4.43Å; L501-I526 HydrophobicContact CG-CG1 4.28Å; L501-I526 WeakPolarHBondContact O-CA 3.25Å; L501-Y527 PolarHBondContact O-N 3.3Å
502	N	93.3	Very high	92.8	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.16	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.3	177.8	-164.7	-12	0	0	0	111.5	L478 L480 N481 R504 Y527	L478-N502 PolarHBondContact O-N 2.74Å; L480-N502 CarbonylContact C-O 3.53Å; L480-N502 WeakPolarHBondContact CA-O 3.25Å; L480-N502 WeakPolarHBondContact CB-O 3.29Å; L480-N502 PolarHBondContact N-O 3.25Å; N481-N502 PolarHBondContact N-O 2.95Å; N481-N502 PolarHBondContact OD1-ND2 2.99Å; N481-N502 VanDerWaalsContact OD1-ND2 3.1Å; N502-R504 VanDerWaalsContact OD1-CB 3.25Å; N502-R504 WeakPolarHBondContact OD1-CB 3.37Å; N502-R504 PolarHBondContact OD1-N 3.22Å; N502-R504 VanDerWaalsContact OD1-N 3.12Å; N502-Y527 HydrophobicContact CB-CD2 4.11Å; N502-Y527 HydrophobicContact CB-CG 4.47Å; N502-Y527 WeakPolarHBondContact OD1-CB 3.47Å
503	L	95.9	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.			trans	-114.2	8.3	177.4	-66.4	169.2	0	0	0	112.3	L480 L485 L488 L501 N506 L508 L511 Y527 L528 N531	L480-L503 HydrophobicContact CB-CD2 4.17Å; L480-L503 HydrophobicContact CD1-CD2 4.15Å; L485-L503 HydrophobicContact CD1-CD2 4.19Å; L488-L503 HydrophobicContact CD1-CD1 4.2Å; L501-L503 HydrophobicContact CD1-CD2 4.29Å; L501-L503 HydrophobicContact CD1-CG 4.13Å; L501-L503 HydrophobicContact CD2-CD1 4.04Å; L501-L503 HydrophobicContact CD2-CG 4.48Å; L501-L503 HydrophobicContact CG-CD1 4.13Å; L501-L503 HydrophobicContact CG-CG 4.05Å; L503-N506 PolarHBondContact O-ND2 3.1Å; L503-L508 HydrophobicContact CB-CD1 4.14Å; L503-L508 HydrophobicContact CD1-CD1 4.17Å; L503-L511 HydrophobicContact CD1-CD2 4.24Å; L503-Y527 PolarHBondContact N-O 2.74Å; L503-L528 HydrophobicContact CB-CD2 4.39Å; L503-L528 HydrophobicContact CD1-CD2 4.14Å; L503-N531 PolarHBondContact O-ND2 3.35Å
504	R	92.9	Very high	92.4	Very high	84 Å²	84	47.1 Å²	47.1	32%	0.317	24%	0.238	S	C	.	.			trans	-54.5	146.6	-177.6	175.6	170.4	-176.5	175.5	0.8	112.3	N481 N482 N502 N506 Y527 E529 D530	N481-R504 CarbonylContact C-O 3.57Å; N481-R504 WeakPolarHBondContact CA-O 3.36Å; N481-R504 HydrophobicContact CB-CB 4.06Å; N481-R504 WeakPolarHBondContact CB-O 3.49Å; N482-R504 PolarHBondContact N-O 3.3Å; N482-R504 VanDerWaalsContact N-O 3.07Å; N502-R504 VanDerWaalsContact OD1-CB 3.25Å; N502-R504 WeakPolarHBondContact OD1-CB 3.37Å; N502-R504 PolarHBondContact OD1-N 3.22Å; N502-R504 VanDerWaalsContact OD1-N 3.12Å; R504-N506 PolarHBondContact O-ND2 3.39Å; R504-Y527 PolarHBondContact N-O 3.17Å; R504-E529 VanDerWaalsContact CA-O 3.32Å; R504-E529 WeakPolarHBondContact CA-O 3.49Å; R504-E529 HydrophobicContact CB-CB 4.47Å; R504-E529 WeakPolarHBondContact CD-OE2 3.33Å; R504-E529 HydrophobicContact CG-CB 3.9Å; R504-E529 IonicContact CZ-OE2 2.63Å; R504-E529 IonicContact NE-OE2 3.35Å; R504-E529 PolarHBondContact NE-OE2 3.12Å; R504-E529 IonicContact NH1-OE2 2.72Å; R504-E529 PolarHBondContact NH1-OE2 2.64Å; R504-E529 IonicContact NH2-OE2 2.63Å; R504-D530 HydrophobicContact CG-CB 4.29Å; R504-D530 IonicContact CZ-OD2 2.66Å; R504-D530 IonicContact NE-OD2 3.98Å; R504-D530 PolarHBondContact NE-OD2 2.87Å; R504-D530 IonicContact NH2-OD2 3.9Å; R504-D530 PolarHBondContact NH2-OD2 3.19Å
505	K	92.2	Very high	92.3	Very high	96 Å²	96	44 Å²	44	42%	0.417	23%	0.231	S	C	.	.	S	Bend	trans	53.7	61.1	179.3	-68.2	177.9	179.9	-177.4	0	112.1	N482 N483 E529 D530 N531	N482-K505 WeakPolarHBondContact CA-O 3.4Å; N482-K505 PolarHBondContact N-O 3.46Å; N482-K505 WeakPolarHBondContact OD1-CD 3.5Å; N483-K505 PolarHBondContact N-O 3.01Å; K505-E529 PolarHBondContact N-O 3.38Å; K505-D530 WeakPolarHBondContact CA-O 3.48Å; K505-D530 HydrophobicContact CB-CB 4.33Å; K505-D530 WeakPolarHBondContact CE-OD2 3.24Å; K505-D530 HydrophobicContact CG-CB 3.39Å; K505-D530 WeakPolarHBondContact CG-OD2 3.04Å; K505-N531 PolarHBondContact N-ND2 2.69Å
506	N	97.1	Very high	92.6	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.032	20%	0.201	C	C	.	.	S	Bend	trans	-127.5	-172.4	169.8	-87.7	-81.9	0	0	0	109.3	L480 N483 Q484 L485 L503 R504 L508 N531 P532	L480-N506 PolarHBondContact O-ND2 3.11Å; N483-N506 WeakPolarHBondContact CA-OD1 3.4Å; N483-N506 WeakPolarHBondContact CB-OD1 3.3Å; N483-N506 PolarHBondContact O-OD1 2.89Å; Q484-N506 PolarHBondContact N-OD1 3.4Å; L485-N506 HydrophobicContact CB-CB 4.29Å; L485-N506 VanDerWaalsContact CB-OD1 3.3Å; L485-N506 WeakPolarHBondContact CB-OD1 3.29Å; L485-N506 WeakPolarHBondContact CG-OD1 3.38Å; L485-N506 PolarHBondContact N-OD1 2.78Å; L503-N506 PolarHBondContact O-ND2 3.1Å; R504-N506 PolarHBondContact O-ND2 3.39Å; N506-L508 HydrophobicContact CB-CG 4.24Å; N506-N531 WeakPolarHBondContact CA-OD1 3.27Å; N506-N531 WeakPolarHBondContact CB-OD1 3.4Å; N506-N531 PolarHBondContact N-OD1 2.89Å; N506-N531 PolarHBondContact O-OD1 3.47Å; N506-P532 VanDerWaalsContact O-CD 3.27Å; N506-P532 WeakPolarHBondContact O-CD 3.22Å
507	L	96.6	Very high	92.5	Very high	93 Å²	93	38 Å²	38	49%	0.487	20%	0.199	S	C	.	.			trans	-106.3	26.2	-178.1	-57.9	177.6	0	0	0	112.1	Q484 L485 M509	Q484-L507 HydrophobicContact CB-CD1 4.19Å; L485-L507 CarbonylContact O-C 3.31Å; L485-L507 VanDerWaalsContact O-CA 3.29Å; L485-L507 WeakPolarHBondContact O-CA 3.34Å; L485-L507 PolarHBondContact O-N 3.27Å; L507-M509 PolarHBondContact O-N 2.93Å; L507-M509 VanDerWaalsContact O-N 3.14Å
508	L	95.6	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.			trans	-71.1	107.5	-178.3	-58.1	173.8	0	0	0	110.4	L485 L503 N506 N531 W533	L485-L508 HydrophobicContact CB-CD2 4.28Å; L485-L508 PolarHBondContact O-N 2.86Å; L503-L508 HydrophobicContact CB-CD1 4.14Å; L503-L508 HydrophobicContact CD1-CD1 4.17Å; N506-L508 HydrophobicContact CB-CG 4.24Å; L508-N531 HydrophobicContact CB-CB 4.39Å; L508-N531 VanDerWaalsContact CB-OD1 3.29Å; L508-N531 WeakPolarHBondContact CB-OD1 3Å; L508-N531 WeakPolarHBondContact CG-OD1 3.31Å; L508-N531 PolarHBondContact N-OD1 2.96Å; L508-W533 HydrophobicContact CB-CH2 3.73Å; L508-W533 HydrophobicContact CB-CZ2 4.36Å; L508-W533 HydrophobicContact CB-CZ3 3.88Å; L508-W533 HydrophobicContact CD1-CH2 3.98Å
509	M	93.9	Very high	92	Very high	93 Å²	93	41.7 Å²	41.7	46%	0.458	22%	0.215	S	C	.	.	S	Bend	trans	-82.7	-36.1	169.3	-65.9	176.8	-70.8	0	0	111.3	L507 P532 D534	L507-M509 PolarHBondContact O-N 2.93Å; L507-M509 VanDerWaalsContact O-N 3.14Å; M509-P532 WeakPolarHBondContact CA-O 3.22Å; M509-P532 HydrophobicContact CG-CG 4.18Å; M509-D534 HydrophobicContact CB-CB 4.41Å; M509-D534 PolarHBondContact O-N 2.65Å
510	H	91.5	Very high	92	Very high	85 Å²	85	41.5 Å²	41.5	39%	0.394	21%	0.213	S	C	.	.			trans	-137.9	154.8	175.6	53.8	-109	0	0	0	110
511	L	92.3	Very high	91.9	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.244	C	C	.	.			trans	-138	105.2	177.7	179.5	58.4	0	0	0	108.4	L488 L503 L517 L528 W533 L542	L488-L511 HydrophobicContact CB-CD1 4.46Å; L488-L511 HydrophobicContact CD1-CD1 3.84Å; L488-L511 HydrophobicContact CG-CD1 4.11Å; L503-L511 HydrophobicContact CD1-CD2 4.24Å; L511-L517 HydrophobicContact CD2-CD1 3.78Å; L511-L517 HydrophobicContact CD2-CD2 4.24Å; L511-L517 HydrophobicContact CD2-CG 4.42Å; L511-L517 HydrophobicContact CG-CD1 3.74Å; L511-L517 HydrophobicContact CG-CD2 4.48Å; L511-L517 HydrophobicContact CG-CG 4.26Å; L511-L528 HydrophobicContact CD2-CD2 3.83Å; L511-W533 HydrophobicContact CB-CH2 3.83Å; L511-W533 HydrophobicContact CB-CZ3 3.67Å; L511-W533 HydrophobicContact CD2-CH2 4.01Å; L511-L542 HydrophobicContact CB-CD1 4.33Å; L511-L542 HydrophobicContact CB-CD2 4.27Å; L511-L542 HydrophobicContact CD2-CD1 4.22Å; L511-L542 HydrophobicContact CG-CD1 4.37Å
512	P	89.8	Confident	91.5	Very high	52 Å²	52	49.8 Å²	49.8	34%	0.338	26%	0.261	S	S	.	.			trans	-64.2	140.1	-177.5	26	-34.6	0	0	0	110.7	V516	P512-V516 HydrophobicContact CG-CG2 4.12Å; P512-V516 WeakPolarHBondContact O-CB 3.47Å
513	V	90.6	Very high	91.4	Very high	21 Å²	21	49 Å²	49	13%	0.127	26%	0.256	C	S	.	.	I	π-helix	trans	-87.2	-45.7	175.2	173.2	0	0	0	0	111.1	V516 L517 D518 S541 L542 W545	V513-V516 PolarHBondContact O-N 3.28Å; V513-L517 HydrophobicContact CG1-CB 4.39Å; V513-L517 HydrophobicContact CG2-CD1 4.1Å; V513-L517 PolarHBondContact O-N 3.1Å; V513-D518 HydrophobicContact CG1-CB 4.46Å; V513-D518 VanDerWaalsContact O-CG 3.29Å; V513-D518 PolarHBondContact O-N 3.02Å; V513-S541 WeakPolarHBondContact CG2-O 3.48Å; V513-L542 HydrophobicContact CG2-CB 4.44Å; V513-L542 HydrophobicContact CG2-CD1 4.38Å; V513-W545 HydrophobicContact CB-CB 4.46Å; V513-W545 HydrophobicContact CG1-CB 3.96Å; V513-W545 HydrophobicContact CG1-CG 3.86Å; V513-W545 HydrophobicContact CG2-CB 3.63Å; V513-W545 HydrophobicContact CG2-CG 3.96Å
514	S	89.6	Confident	90.8	Very high	79 Å²	79	50 Å²	50	55%	0.552	26%	0.261	S	S	*	.	I	π-helix	trans	-68.4	132.7	-176.6	-174	0	0	0	0	111.5	V516 D518	S514-V516 PolarHBondContact O-N 3.21Å; S514-D518 VanDerWaalsContact CA-OD2 3.32Å; S514-D518 WeakPolarHBondContact CA-OD2 3.36Å
515	N	87.4	Confident	90.5	Very high	70 Å²	70	46 Å²	46	37%	0.374	25%	0.246	S	C	.	.	I	π-helix	trans	60.8	15.5	-174.1	-57.7	-90.7	0	0	0	115.2	A490 Q491 D518	A490-N515 HydrophobicContact CB-CB 3.94Å; Q491-N515 PolarHBondContact N-O 2.82Å; Q491-N515 PolarHBondContact NE2-OD1 3.28Å; N515-D518 VanDerWaalsContact CA-OD1 3.24Å; N515-D518 WeakPolarHBondContact CA-OD1 3.38Å; N515-D518 PolarHBondContact N-OD1 3.08Å; N515-D518 PolarHBondContact N-OD2 2.87Å
516	V	92.1	Very high	90.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.226	C	C	.	.	I	π-helix	trans	-138.4	-72.2	-179.8	177.2	0	0	0	0	110.8	L488 P489 I492 F493 P512 V513 S514 D518 Q519	L488-V516 HydrophobicContact CB-CG1 4.24Å; L488-V516 HydrophobicContact CD1-CG1 4.3Å; P489-V516 WeakPolarHBondContact O-CG2 3.02Å; I492-V516 HydrophobicContact CG2-CG1 3.96Å; I492-V516 HydrophobicContact CG2-CG2 4.49Å; F493-V516 HydrophobicContact CD2-CG1 4.42Å; F493-V516 HydrophobicContact CE2-CG1 4.2Å; P512-V516 HydrophobicContact CG-CG2 4.12Å; P512-V516 WeakPolarHBondContact O-CB 3.47Å; V513-V516 PolarHBondContact O-N 3.28Å; S514-V516 PolarHBondContact O-N 3.21Å; V516-D518 PolarHBondContact N-OD1 2.86Å; V516-Q519 WeakPolarHBondContact O-CG 3.45Å
517	L	91.6	Very high	90.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.228	C	C	.	.	I	π-helix	trans	-85.3	-18.6	-178.4	-60.3	177.8	0	0	0	113.3	L511 V513 Q519 L520 I526 L542 W545	L511-L517 HydrophobicContact CD2-CD1 3.78Å; L511-L517 HydrophobicContact CD2-CD2 4.24Å; L511-L517 HydrophobicContact CD2-CG 4.42Å; L511-L517 HydrophobicContact CG-CD1 3.74Å; L511-L517 HydrophobicContact CG-CD2 4.48Å; L511-L517 HydrophobicContact CG-CG 4.26Å; V513-L517 HydrophobicContact CG1-CB 4.39Å; V513-L517 HydrophobicContact CG2-CD1 4.1Å; V513-L517 PolarHBondContact O-N 3.1Å; L517-Q519 PolarHBondContact O-N 3.27Å; L517-L520 HydrophobicContact CD2-CD1 3.71Å; L517-L520 PolarHBondContact O-N 3.22Å; L517-I526 HydrophobicContact CD2-CD1 4.12Å; L517-L542 HydrophobicContact CD1-CD1 3.45Å; L517-L542 VanDerWaalsContact CD1-CD1 3.45Å; L517-W545 HydrophobicContact CB-CD2 4.19Å; L517-W545 HydrophobicContact CB-CH2 4.12Å; L517-W545 HydrophobicContact CB-CZ2 3.64Å; L517-W545 HydrophobicContact CD1-CD2 4.19Å; L517-W545 HydrophobicContact CD1-CE3 3.88Å; L517-W545 HydrophobicContact CD1-CH2 3.95Å; L517-W545 HydrophobicContact CD1-CZ2 4.26Å; L517-W545 HydrophobicContact CD1-CZ3 3.76Å; L517-W545 HydrophobicContact CD2-CH2 4.11Å; L517-W545 HydrophobicContact CD2-CZ2 4.35Å; L517-W545 HydrophobicContact CG-CH2 4.3Å; L517-W545 HydrophobicContact CG-CZ2 4.32Å; L517-W545 PolarHBondContact O-NE1 3.42Å
518	D	88.6	Confident	90.1	Very high	84 Å²	84	37.6 Å²	37.6	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19	170.1	61.3	-3.6	0	0	0	113.4	V513 S514 N515 V516 L520	V513-D518 HydrophobicContact CG1-CB 4.46Å; V513-D518 VanDerWaalsContact O-CG 3.29Å; V513-D518 PolarHBondContact O-N 3.02Å; S514-D518 VanDerWaalsContact CA-OD2 3.32Å; S514-D518 WeakPolarHBondContact CA-OD2 3.36Å; N515-D518 VanDerWaalsContact CA-OD1 3.24Å; N515-D518 WeakPolarHBondContact CA-OD1 3.38Å; N515-D518 PolarHBondContact N-OD1 3.08Å; N515-D518 PolarHBondContact N-OD2 2.87Å; V516-D518 PolarHBondContact N-OD1 2.86Å; D518-L520 VanDerWaalsContact C-N 3.35Å
519	Q	87.9	Confident	89.9	Confident	38 Å²	38	39.1 Å²	39.1	18%	0.178	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-25	177.3	-44.8	-155	-53.5	0	0	112.8	F493 V516 L517 N521	F493-Q519 HydrophobicContact CB-CB 4.4Å; V516-Q519 WeakPolarHBondContact O-CG 3.45Å; L517-Q519 PolarHBondContact O-N 3.27Å; Q519-N521 VanDerWaalsContact C-N 3.25Å; Q519-N521 PolarHBondContact O-N 3.06Å
520	L	89.8	Confident	89.8	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.058	21%	0.212	C	C	.	.			trans	-82.2	64.4	-170.1	-64.3	176.5	0	0	0	111.4	F493 L498 L501 L517 D518 V522 L523	F493-L520 HydrophobicContact CB-CD2 3.56Å; F493-L520 HydrophobicContact CB-CG 4.27Å; F493-L520 HydrophobicContact CD1-CD2 4.43Å; F493-L520 HydrophobicContact CD2-CD1 3.75Å; F493-L520 HydrophobicContact CD2-CD2 3.62Å; F493-L520 HydrophobicContact CD2-CG 3.76Å; F493-L520 HydrophobicContact CE2-CD1 3.97Å; F493-L520 HydrophobicContact CE2-CD2 4.42Å; F493-L520 HydrophobicContact CE2-CG 4.48Å; F493-L520 HydrophobicContact CG-CD2 3.63Å; F493-L520 HydrophobicContact CG-CG 4.26Å; L498-L520 HydrophobicContact CB-CD2 3.9Å; L498-L520 HydrophobicContact CD1-CD2 4.1Å; L501-L520 HydrophobicContact CD2-CD1 3.94Å; L517-L520 HydrophobicContact CD2-CD1 3.71Å; L517-L520 PolarHBondContact O-N 3.22Å; D518-L520 VanDerWaalsContact C-N 3.35Å; L520-V522 PolarHBondContact O-N 2.93Å; L520-L523 HydrophobicContact CB-CB 3.92Å; L520-L523 HydrophobicContact CB-CD2 4.06Å; L520-L523 HydrophobicContact CB-CG 4.41Å; L520-L523 HydrophobicContact CD1-CD1 4.32Å; L520-L523 HydrophobicContact CD1-CD2 3.94Å; L520-L523 VanDerWaalsContact O-CB 3.26Å; L520-L523 WeakPolarHBondContact O-CB 3.38Å; L520-L523 PolarHBondContact O-N 3.24Å
521	N	85.3	Confident	90	Very high	140 Å²	140	35.1 Å²	35.1	75%	0.749	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.1	-172	65.9	-7.7	0	0	0	115.1	Q519	Q519-N521 VanDerWaalsContact C-N 3.25Å; Q519-N521 PolarHBondContact O-N 3.06Å
522	V	88.2	Confident	90.1	Very high	56 Å²	56	36.9 Å²	36.9	34%	0.339	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	22.6	175	-64	0	0	0	0	112.3	P497 L498 L520 E524	P497-V522 VanDerWaalsContact C-CG2 3.47Å; P497-V522 HydrophobicContact CB-CG2 3.87Å; L498-V522 CarbonylContact O-C 3.48Å; L520-V522 PolarHBondContact O-N 2.93Å; V522-E524 WeakPolarHBondContact O-CG 3.46Å; V522-E524 PolarHBondContact O-N 3.38Å
523	L	90.8	Very high	90.4	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.068	19%	0.191	C	C	.	.			trans	-70.1	120.8	177.7	-166.2	65.7	0	0	0	110.8	L498 L501 L520 Q525 I526 W545 T553	L498-L523 WeakPolarHBondContact O-CA 3.22Å; L498-L523 PolarHBondContact O-N 3.14Å; L501-L523 HydrophobicContact CB-CD1 4.24Å; L520-L523 HydrophobicContact CB-CB 3.92Å; L520-L523 HydrophobicContact CB-CD2 4.06Å; L520-L523 HydrophobicContact CB-CG 4.41Å; L520-L523 HydrophobicContact CD1-CD1 4.32Å; L520-L523 HydrophobicContact CD1-CD2 3.94Å; L520-L523 VanDerWaalsContact O-CB 3.26Å; L520-L523 WeakPolarHBondContact O-CB 3.38Å; L520-L523 PolarHBondContact O-N 3.24Å; L523-Q525 WeakPolarHBondContact CD1-O 3.37Å; L523-I526 HydrophobicContact CD2-CB 4.12Å; L523-I526 HydrophobicContact CD2-CD1 4.38Å; L523-I526 HydrophobicContact CD2-CG2 4.33Å; L523-W545 HydrophobicContact CD2-CH2 3.61Å; L523-W545 HydrophobicContact CD2-CZ2 3.71Å; L523-T553 HydrophobicContact CD2-CG2 4.38Å; L523-T553 HydrophobicContact CG-CG2 4.19Å
524	E	84	Confident	90.5	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.103	20%	0.196	C	C	.	.			trans	-113.7	-27	-176.8	-64.4	156.1	173.9	0	0	110.4	K290 G291 V499 V522 T553	K290-E524 VanDerWaalsContact C-OE2 3.28Å; K290-E524 WeakPolarHBondContact CG-OE2 3.4Å; K290-E524 IonicContact NZ-OE1 3.51Å; K290-E524 PolarHBondContact NZ-OE1 3.14Å; K290-E524 IonicContact NZ-OE2 3.99Å; K290-E524 PolarHBondContact NZ-OE2 3.39Å; K290-E524 WeakPolarHBondContact O-CG 3.29Å; G291-E524 WeakPolarHBondContact CA-OE2 3.44Å; G291-E524 PolarHBondContact N-OE2 3.22Å; G291-E524 VanDerWaalsContact N-OE2 3.16Å; V499-E524 HydrophobicContact CG1-CB 4.38Å; V499-E524 WeakPolarHBondContact CG1-OE2 3.39Å; V499-E524 WeakPolarHBondContact CG2-OE2 3.14Å; V499-E524 PolarHBondContact O-N 3.31Å; V522-E524 WeakPolarHBondContact O-CG 3.46Å; V522-E524 PolarHBondContact O-N 3.38Å; E524-T553 WeakPolarHBondContact O-CA 3.48Å; E524-T553 PolarHBondContact O-OG1 3.29Å
525	Q	85.6	Confident	90.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.1	170.5	-55	-164.7	-20.3	0	0	114.4	V282 G291 V499 K500 L501 L523 Y527 T553 V555	V282-Q525 HydrophobicContact CG1-CG 4.13Å; V282-Q525 VanDerWaalsContact CG2-NE2 3.29Å; G291-Q525 WeakPolarHBondContact O-CG 3.47Å; G291-Q525 PolarHBondContact O-NE2 3.28Å; V499-Q525 PolarHBondContact O-N 2.83Å; K500-Q525 WeakPolarHBondContact CA-O 3.09Å; K500-Q525 HydrophobicContact CG-CB 4.42Å; L501-Q525 PolarHBondContact N-O 2.83Å; L523-Q525 WeakPolarHBondContact CD1-O 3.37Å; Q525-Y527 HydrophobicContact CB-CE2 4.43Å; Q525-Y527 PolarHBondContact OE1-OH 2.81Å; Q525-T553 CarbonylContact C-O 3.5Å; Q525-T553 VanDerWaalsContact CA-O 3.29Å; Q525-T553 WeakPolarHBondContact CA-O 3.31Å; Q525-V555 HydrophobicContact CB-CG2 4.08Å
526	I	92.6	Very high	90.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.4	167.9	-167.4	172.6	0	0	0	111.4	L501 L517 L523 L528 W545 T553 V554 V555	L501-I526 HydrophobicContact CB-CG1 4.21Å; L501-I526 HydrophobicContact CD2-CD1 3.99Å; L501-I526 HydrophobicContact CD2-CG1 4.37Å; L501-I526 HydrophobicContact CG-CD1 4.43Å; L501-I526 HydrophobicContact CG-CG1 4.28Å; L501-I526 WeakPolarHBondContact O-CA 3.25Å; L517-I526 HydrophobicContact CD2-CD1 4.12Å; L523-I526 HydrophobicContact CD2-CB 4.12Å; L523-I526 HydrophobicContact CD2-CD1 4.38Å; L523-I526 HydrophobicContact CD2-CG2 4.33Å; I526-L528 HydrophobicContact CD1-CD1 4.4Å; I526-L528 HydrophobicContact CD1-CD2 3.84Å; I526-L528 HydrophobicContact CD1-CG 4.22Å; I526-L528 HydrophobicContact CG1-CD2 3.92Å; I526-L528 HydrophobicContact CG1-CG 4.04Å; I526-L528 HydrophobicContact CG2-CD1 4.43Å; I526-L528 HydrophobicContact CG2-CG 4.48Å; I526-W545 HydrophobicContact CD1-CH2 3.99Å; I526-W545 HydrophobicContact CD1-CZ3 4.39Å; I526-W545 HydrophobicContact CG2-CH2 4.24Å; I526-W545 HydrophobicContact CG2-CZ3 4.39Å; I526-T553 PolarHBondContact N-O 3.3Å; I526-V554 HydrophobicContact CG2-CG2 4.02Å; I526-V555 PolarHBondContact O-N 3.28Å
527	Y	91.3	Very high	90.8	Very high	17 Å²	17	32.4 Å²	32.4	7%	0.067	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.5	178.1	-59	-109.6	0	0	0	109.1	L501 N502 L503 R504 Q525 V555	L501-Y527 PolarHBondContact O-N 3.3Å; N502-Y527 HydrophobicContact CB-CD2 4.11Å; N502-Y527 HydrophobicContact CB-CG 4.47Å; N502-Y527 WeakPolarHBondContact OD1-CB 3.47Å; L503-Y527 PolarHBondContact N-O 2.74Å; R504-Y527 PolarHBondContact N-O 3.17Å; Q525-Y527 HydrophobicContact CB-CE2 4.43Å; Q525-Y527 PolarHBondContact OE1-OH 2.81Å; Y527-V555 HydrophobicContact CD1-CB 3.58Å; Y527-V555 HydrophobicContact CD1-CG1 3.6Å; Y527-V555 HydrophobicContact CD1-CG2 4.02Å; Y527-V555 HydrophobicContact CD2-CB 4.39Å; Y527-V555 HydrophobicContact CD2-CG2 3.99Å; Y527-V555 HydrophobicContact CE1-CB 3.8Å; Y527-V555 HydrophobicContact CE1-CG1 3.43Å; Y527-V555 VanDerWaalsContact CE1-CG1 3.43Å; Y527-V555 HydrophobicContact CE1-CG2 3.97Å; Y527-V555 HydrophobicContact CE2-CG2 3.9Å; Y527-V555 HydrophobicContact CG-CB 3.91Å; Y527-V555 HydrophobicContact CG-CG1 4.42Å; Y527-V555 HydrophobicContact CG-CG2 4.04Å
528	L	93.9	Very high	90.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.			trans	-121.3	9	-175.4	-64.1	178.6	0	0	0	113	L503 L511 I526 W533 V558	L503-L528 HydrophobicContact CB-CD2 4.39Å; L503-L528 HydrophobicContact CD1-CD2 4.14Å; L511-L528 HydrophobicContact CD2-CD2 3.83Å; I526-L528 HydrophobicContact CD1-CD1 4.4Å; I526-L528 HydrophobicContact CD1-CD2 3.84Å; I526-L528 HydrophobicContact CD1-CG 4.22Å; I526-L528 HydrophobicContact CG1-CD2 3.92Å; I526-L528 HydrophobicContact CG1-CG 4.04Å; I526-L528 HydrophobicContact CG2-CD1 4.43Å; I526-L528 HydrophobicContact CG2-CG 4.48Å; L528-W533 HydrophobicContact CB-CZ2 3.92Å; L528-W533 HydrophobicContact CD2-CH2 4.25Å; L528-W533 HydrophobicContact CD2-CZ2 3.99Å; L528-W533 HydrophobicContact CG-CZ2 4.4Å; L528-W533 PolarHBondContact O-NE1 2.91Å; L528-V558 HydrophobicContact CB-CG2 3.9Å; L528-V558 HydrophobicContact CD1-CG2 4.22Å
529	E	91.3	Very high	90.7	Very high	32 Å²	32	34.3 Å²	34.3	15%	0.15	19%	0.19	C	C	.	.			trans	-60.6	161.9	178.6	-66.4	163.3	-139	0	0	112.9	R504 K505 N531 G556	R504-E529 VanDerWaalsContact CA-O 3.32Å; R504-E529 WeakPolarHBondContact CA-O 3.49Å; R504-E529 HydrophobicContact CB-CB 4.47Å; R504-E529 WeakPolarHBondContact CD-OE2 3.33Å; R504-E529 HydrophobicContact CG-CB 3.9Å; R504-E529 IonicContact CZ-OE2 2.63Å; R504-E529 IonicContact NE-OE2 3.35Å; R504-E529 PolarHBondContact NE-OE2 3.12Å; R504-E529 IonicContact NH1-OE2 2.72Å; R504-E529 PolarHBondContact NH1-OE2 2.64Å; R504-E529 IonicContact NH2-OE2 2.63Å; K505-E529 PolarHBondContact N-O 3.38Å; E529-N531 PolarHBondContact O-N 3.44Å; E529-N531 VanDerWaalsContact O-N 3.09Å; E529-N531 PolarHBondContact O-ND2 2.65Å; E529-G556 VanDerWaalsContact OE1-CA 3.29Å; E529-G556 WeakPolarHBondContact OE1-CA 3.47Å; E529-G556 PolarHBondContact OE1-N 2.85Å
530	D	91.4	Very high	90.9	Very high	85 Å²	85	33.3 Å²	33.3	46%	0.455	19%	0.185	S	C	.	.	S	Bend	trans	50.4	36	171.3	-54.5	-23.9	0	0	0	114.8	R504 K505	R504-D530 HydrophobicContact CG-CB 4.29Å; R504-D530 IonicContact CZ-OD2 2.66Å; R504-D530 IonicContact NE-OD2 3.98Å; R504-D530 PolarHBondContact NE-OD2 2.87Å; R504-D530 IonicContact NH2-OD2 3.9Å; R504-D530 PolarHBondContact NH2-OD2 3.19Å; K505-D530 WeakPolarHBondContact CA-O 3.48Å; K505-D530 HydrophobicContact CB-CB 4.33Å; K505-D530 WeakPolarHBondContact CE-OD2 3.24Å; K505-D530 HydrophobicContact CG-CB 3.39Å; K505-D530 WeakPolarHBondContact CG-OD2 3.04Å
531	N	95.4	Very high	90.9	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.053	20%	0.204	C	C	.	.			trans	-114.3	147.9	173.8	-85.7	-95.7	0	0	0	110	L503 K505 N506 L508 E529 W533	L503-N531 PolarHBondContact O-ND2 3.35Å; K505-N531 PolarHBondContact N-ND2 2.69Å; N506-N531 WeakPolarHBondContact CA-OD1 3.27Å; N506-N531 WeakPolarHBondContact CB-OD1 3.4Å; N506-N531 PolarHBondContact N-OD1 2.89Å; N506-N531 PolarHBondContact O-OD1 3.47Å; L508-N531 HydrophobicContact CB-CB 4.39Å; L508-N531 VanDerWaalsContact CB-OD1 3.29Å; L508-N531 WeakPolarHBondContact CB-OD1 3Å; L508-N531 WeakPolarHBondContact CG-OD1 3.31Å; L508-N531 PolarHBondContact N-OD1 2.96Å; E529-N531 PolarHBondContact O-N 3.44Å; E529-N531 VanDerWaalsContact O-N 3.09Å; E529-N531 PolarHBondContact O-ND2 2.65Å; N531-W533 HydrophobicContact CB-CD2 4.25Å; N531-W533 HydrophobicContact CB-CG 4.5Å; N531-W533 HydrophobicContact CB-CZ2 3.79Å; N531-W533 VanDerWaalsContact O-CD1 3.29Å; N531-W533 PolarHBondContact O-N 3.26Å
532	P	95.4	Very high	91.3	Very high	42 Å²	42	29.2 Å²	29.2	27%	0.273	17%	0.168	S	C	.	.			trans	-80.3	57	-174.5	35.4	-38.6	0	0	0	112.5	N506 M509 D534 E561	N506-P532 VanDerWaalsContact O-CD 3.27Å; N506-P532 WeakPolarHBondContact O-CD 3.22Å; M509-P532 WeakPolarHBondContact CA-O 3.22Å; M509-P532 HydrophobicContact CG-CG 4.18Å; P532-D534 PolarHBondContact O-N 3.35Å; P532-E561 HydrophobicContact CB-CG 4.45Å
533	W	95.4	Very high	91.5	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	126.5	-173.1	-63.1	110.6	0	0	0	113.1	L508 L511 L528 N531 L539 L542 V558 E561 T562	L508-W533 HydrophobicContact CB-CH2 3.73Å; L508-W533 HydrophobicContact CB-CZ2 4.36Å; L508-W533 HydrophobicContact CB-CZ3 3.88Å; L508-W533 HydrophobicContact CD1-CH2 3.98Å; L511-W533 HydrophobicContact CB-CH2 3.83Å; L511-W533 HydrophobicContact CB-CZ3 3.67Å; L511-W533 HydrophobicContact CD2-CH2 4.01Å; L528-W533 HydrophobicContact CB-CZ2 3.92Å; L528-W533 HydrophobicContact CD2-CH2 4.25Å; L528-W533 HydrophobicContact CD2-CZ2 3.99Å; L528-W533 HydrophobicContact CG-CZ2 4.4Å; L528-W533 PolarHBondContact O-NE1 2.91Å; N531-W533 HydrophobicContact CB-CD2 4.25Å; N531-W533 HydrophobicContact CB-CG 4.5Å; N531-W533 HydrophobicContact CB-CZ2 3.79Å; N531-W533 VanDerWaalsContact O-CD1 3.29Å; N531-W533 PolarHBondContact O-N 3.26Å; W533-L539 HydrophobicContact CB-CD2 4.24Å; W533-L539 HydrophobicContact CE3-CD1 3.81Å; W533-L539 HydrophobicContact CZ3-CD1 4.27Å; W533-L542 HydrophobicContact CE3-CD2 4.25Å; W533-L542 HydrophobicContact CH2-CD2 4.31Å; W533-L542 HydrophobicContact CZ3-CD2 3.97Å; W533-V558 HydrophobicContact CD2-CG1 4.36Å; W533-V558 HydrophobicContact CG-CG1 4.06Å; W533-E561 PolarHBondContact O-N 2.99Å; W533-T562 PolarHBondContact O-N 3Å
534	D	93.9	Very high	91.5	Very high	42 Å²	42	30.6 Å²	30.6	23%	0.225	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	100.9	171.5	-172.9	36.8	0	0	0	110.3	M509 P532 S536 L539 T562	M509-D534 HydrophobicContact CB-CB 4.41Å; M509-D534 PolarHBondContact O-N 2.65Å; P532-D534 PolarHBondContact O-N 3.35Å; D534-S536 VanDerWaalsContact CG-OG 3.22Å; D534-S536 PolarHBondContact O-N 3.42Å; D534-S536 PolarHBondContact OD1-OG 2.95Å; D534-S536 VanDerWaalsContact OD1-OG 3.11Å; D534-S536 VanDerWaalsContact OD2-CB 3.25Å; D534-S536 WeakPolarHBondContact OD2-CB 3.11Å; D534-S536 PolarHBondContact OD2-OG 2.92Å; D534-L539 WeakPolarHBondContact O-CB 3.36Å; D534-T562 WeakPolarHBondContact CA-OG1 3.31Å; D534-T562 VanDerWaalsContact CB-OG1 3.26Å; D534-T562 WeakPolarHBondContact CB-OG1 2.88Å; D534-T562 VanDerWaalsContact OD1-C 3.29Å; D534-T562 VanDerWaalsContact OD1-CB 3.27Å; D534-T562 WeakPolarHBondContact OD1-CB 3Å; D534-T562 PolarHBondContact OD1-OG1 3.22Å
535	C	93.1	Very high	91.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	17%	0.171	C	C	.	.			trans	-79.2	45.5	-179.6	-66.7	0	0	0	0	112.7	L539 C560 T562 V566 L574 L579	C535-L539 HydrophobicContact CB-CD2 4.29Å; C535-L539 VanDerWaalsContact SG-CD2 3.52Å; C535-C560 HydrophobicContact CB-CB 3.73Å; C535-C560 WeakPolarHBondContact CB-SG 3.47Å; C535-C560 VanDerWaalsContact SG-CA 3.57Å; C535-C560 WeakPolarHBondContact SG-CB 3.03Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 3.49Å; C535-T562 PolarHBondContact N-O 3.45Å; C535-V566 HydrophobicContact CB-CG2 3.99Å; C535-L574 HydrophobicContact CB-CD1 4.12Å; C535-L579 HydrophobicContact CB-CD2 4.3Å; C535-L579 WeakPolarHBondContact O-CG 3.33Å
536	S	91.4	Very high	92.1	Very high	35 Å²	35	31 Å²	31	25%	0.245	17%	0.172	C	C	.	.	S	Bend	trans	-87.4	-174.8	167.5	-62.3	0	0	0	0	110.5	D534 D538 L539 L579	D534-S536 VanDerWaalsContact CG-OG 3.22Å; D534-S536 PolarHBondContact O-N 3.42Å; D534-S536 PolarHBondContact OD1-OG 2.95Å; D534-S536 VanDerWaalsContact OD1-OG 3.11Å; D534-S536 VanDerWaalsContact OD2-CB 3.25Å; D534-S536 WeakPolarHBondContact OD2-CB 3.11Å; D534-S536 PolarHBondContact OD2-OG 2.92Å; S536-D538 PolarHBondContact O-N 3.18Å; S536-L539 PolarHBondContact O-N 2.95Å; S536-L579 CarbonylContact C-O 3.55Å
537	C	89.9	Confident	91.9	Very high	51 Å²	51	35.2 Å²	35.2	35%	0.345	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-60.5	-29.5	-174.6	-165.8	0	0	0	0	113.8	L539 L540 L579 C580	C537-L539 PolarHBondContact O-N 3.19Å; C537-L540 WeakPolarHBondContact O-CB 3.4Å; C537-L540 PolarHBondContact O-N 3.11Å; C537-L579 PolarHBondContact N-O 3.28Å; C537-L579 VanDerWaalsContact N-O 3.11Å; C537-C580 HydrophobicContact CB-CB 3.62Å; C537-C580 WeakPolarHBondContact CB-SG 3.38Å; C537-C580 WeakPolarHBondContact SG-CB 3.05Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 3.2Å
538	D	87.9	Confident	91.8	Very high	124 Å²	124	43.2 Å²	43.2	66%	0.663	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-64.1	-27.5	-180	-56.7	-55.3	0	0	0	113.1	S536 L540	S536-D538 PolarHBondContact O-N 3.18Å; D538-L540 VanDerWaalsContact C-N 3.26Å; D538-L540 PolarHBondContact O-N 2.87Å
539	L	91.1	Very high	91.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-81.1	-4.9	177.3	-149.5	70.9	0	0	0	113.1	W533 D534 C535 S536 C537 S541 L542 K543 L571 L579	W533-L539 HydrophobicContact CB-CD2 4.24Å; W533-L539 HydrophobicContact CE3-CD1 3.81Å; W533-L539 HydrophobicContact CZ3-CD1 4.27Å; D534-L539 WeakPolarHBondContact O-CB 3.36Å; C535-L539 HydrophobicContact CB-CD2 4.29Å; C535-L539 VanDerWaalsContact SG-CD2 3.52Å; S536-L539 PolarHBondContact O-N 2.95Å; C537-L539 PolarHBondContact O-N 3.19Å; L539-S541 VanDerWaalsContact C-N 3.28Å; L539-S541 PolarHBondContact O-N 2.89Å; L539-L542 HydrophobicContact CD1-CB 4.12Å; L539-L542 HydrophobicContact CD1-CD2 3.6Å; L539-L542 HydrophobicContact CG-CB 4.24Å; L539-L542 HydrophobicContact CG-CD2 4.12Å; L539-L542 PolarHBondContact O-N 2.65Å; L539-L542 VanDerWaalsContact O-N 3.15Å; L539-K543 PolarHBondContact O-N 3.44Å; L539-L571 HydrophobicContact CD2-CD1 3.89Å; L539-L571 HydrophobicContact CD2-CD2 4.03Å; L539-L571 HydrophobicContact CG-CD2 4.37Å; L539-L579 HydrophobicContact CB-CD2 4.29Å
540	L	91.2	Very high	91	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-39.5	179	-169.8	76.5	0	0	0	111.9	C537 D538 K543 Q544 H576 C580 L583	C537-L540 WeakPolarHBondContact O-CB 3.4Å; C537-L540 PolarHBondContact O-N 3.11Å; D538-L540 VanDerWaalsContact C-N 3.26Å; D538-L540 PolarHBondContact O-N 2.87Å; L540-K543 PolarHBondContact O-N 3.14Å; L540-Q544 WeakPolarHBondContact O-CG 3.02Å; L540-Q544 PolarHBondContact O-N 2.87Å; L540-H576 HydrophobicContact CD1-CB 4.09Å; L540-C580 HydrophobicContact CD2-CB 4.42Å; L540-L583 HydrophobicContact CD2-CD1 4.31Å; L540-L583 HydrophobicContact CD2-CD2 4.21Å
541	S	90.8	Very high	90	Very high	65 Å²	65	54.6 Å²	54.6	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-65.4	-44.2	176	-59.2	0	0	0	0	112.1	V513 L539 K543 Q544 W545	V513-S541 WeakPolarHBondContact CG2-O 3.48Å; L539-S541 VanDerWaalsContact C-N 3.28Å; L539-S541 PolarHBondContact O-N 2.89Å; S541-K543 VanDerWaalsContact C-N 3.34Å; S541-K543 PolarHBondContact O-N 3.35Å; S541-Q544 PolarHBondContact O-N 3.46Å; S541-W545 WeakPolarHBondContact O-CB 3.43Å; S541-W545 PolarHBondContact O-N 2.84Å
542	L	92.8	Very high	89.1	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-44.2	176.9	-176	70	0	0	0	110.6	L511 V513 L517 W533 L539 Q544 W545 V546 L571	L511-L542 HydrophobicContact CB-CD1 4.33Å; L511-L542 HydrophobicContact CB-CD2 4.27Å; L511-L542 HydrophobicContact CD2-CD1 4.22Å; L511-L542 HydrophobicContact CG-CD1 4.37Å; V513-L542 HydrophobicContact CG2-CB 4.44Å; V513-L542 HydrophobicContact CG2-CD1 4.38Å; L517-L542 HydrophobicContact CD1-CD1 3.45Å; L517-L542 VanDerWaalsContact CD1-CD1 3.45Å; W533-L542 HydrophobicContact CE3-CD2 4.25Å; W533-L542 HydrophobicContact CH2-CD2 4.31Å; W533-L542 HydrophobicContact CZ3-CD2 3.97Å; L539-L542 HydrophobicContact CD1-CB 4.12Å; L539-L542 HydrophobicContact CD1-CD2 3.6Å; L539-L542 HydrophobicContact CG-CB 4.24Å; L539-L542 HydrophobicContact CG-CD2 4.12Å; L539-L542 PolarHBondContact O-N 2.65Å; L539-L542 VanDerWaalsContact O-N 3.15Å; L542-Q544 PolarHBondContact O-N 2.76Å; L542-W545 HydrophobicContact CD1-CE3 4.01Å; L542-W545 HydrophobicContact CD1-CZ3 4.33Å; L542-W545 PolarHBondContact O-N 2.77Å; L542-V546 HydrophobicContact CD1-CG2 4.39Å; L542-V546 HydrophobicContact CG-CG2 4.29Å; L542-V546 WeakPolarHBondContact O-CB 3.3Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.37Å; L542-V546 PolarHBondContact O-N 3.27Å; L542-L571 HydrophobicContact CD2-CD2 4.38Å
543	K	91.8	Very high	88.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-51.2	175.5	-174.3	-179.9	-174.6	-61.1	0	112.1	L539 L540 S541 W545 V546 E547 L571 L574 H576 L579	L539-K543 PolarHBondContact O-N 3.44Å; L540-K543 PolarHBondContact O-N 3.14Å; S541-K543 VanDerWaalsContact C-N 3.34Å; S541-K543 PolarHBondContact O-N 3.35Å; K543-W545 VanDerWaalsContact C-N 3.31Å; K543-W545 PolarHBondContact O-N 2.8Å; K543-V546 PolarHBondContact O-N 2.81Å; K543-E547 IonicContact NZ-OE1 3.01Å; K543-E547 PolarHBondContact NZ-OE1 2.92Å; K543-E547 IonicContact NZ-OE2 3.06Å; K543-E547 WeakPolarHBondContact O-CG 3.45Å; K543-E547 PolarHBondContact O-N 3.04Å; K543-L571 HydrophobicContact CB-CD1 4.04Å; K543-L571 HydrophobicContact CB-CD2 4.31Å; K543-L571 HydrophobicContact CB-CG 4.16Å; K543-L571 HydrophobicContact CD-CD1 4.12Å; K543-L571 WeakPolarHBondContact CE-O 3.32Å; K543-L571 HydrophobicContact CG-CD1 4.11Å; K543-L571 HydrophobicContact CG-CG 4.16Å; K543-L574 WeakPolarHBondContact CE-O 3.44Å; K543-L574 PolarHBondContact NZ-O 3.14Å; K543-H576 PolarHBondContact NZ-CD2 3.38Å; K543-H576 PolarHBondContact NZ-CE1 3.2Å; K543-H576 PolarHBondContact NZ-NE2 2.97Å; K543-L579 HydrophobicContact CD-CD1 3.76Å; K543-L579 HydrophobicContact CD-CD2 4.1Å
544	Q	91.6	Very high	88.1	Confident	95 Å²	95	54.3 Å²	54.3	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-35.9	177.9	-71.8	173.7	-4.5	0	0	112.6	L540 S541 L542 K548	L540-Q544 WeakPolarHBondContact O-CG 3.02Å; L540-Q544 PolarHBondContact O-N 2.87Å; S541-Q544 PolarHBondContact O-N 3.46Å; L542-Q544 PolarHBondContact O-N 2.76Å; Q544-K548 VanDerWaalsContact O-CB 3.31Å; Q544-K548 WeakPolarHBondContact O-CB 3.41Å; Q544-K548 PolarHBondContact O-N 3.36Å
545	W	91.9	Very high	87.4	Confident	28 Å²	28	52.3 Å²	52.3	11%	0.106	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-45.2	174.4	179.7	89.6	0	0	0	112	V513 L517 L523 I526 S541 L542 K543 E547 K548 L549	V513-W545 HydrophobicContact CB-CB 4.46Å; V513-W545 HydrophobicContact CG1-CB 3.96Å; V513-W545 HydrophobicContact CG1-CG 3.86Å; V513-W545 HydrophobicContact CG2-CB 3.63Å; V513-W545 HydrophobicContact CG2-CG 3.96Å; L517-W545 HydrophobicContact CB-CD2 4.19Å; L517-W545 HydrophobicContact CB-CH2 4.12Å; L517-W545 HydrophobicContact CB-CZ2 3.64Å; L517-W545 HydrophobicContact CD1-CD2 4.19Å; L517-W545 HydrophobicContact CD1-CE3 3.88Å; L517-W545 HydrophobicContact CD1-CH2 3.95Å; L517-W545 HydrophobicContact CD1-CZ2 4.26Å; L517-W545 HydrophobicContact CD1-CZ3 3.76Å; L517-W545 HydrophobicContact CD2-CH2 4.11Å; L517-W545 HydrophobicContact CD2-CZ2 4.35Å; L517-W545 HydrophobicContact CG-CH2 4.3Å; L517-W545 HydrophobicContact CG-CZ2 4.32Å; L517-W545 PolarHBondContact O-NE1 3.42Å; L523-W545 HydrophobicContact CD2-CH2 3.61Å; L523-W545 HydrophobicContact CD2-CZ2 3.71Å; I526-W545 HydrophobicContact CD1-CH2 3.99Å; I526-W545 HydrophobicContact CD1-CZ3 4.39Å; I526-W545 HydrophobicContact CG2-CH2 4.24Å; I526-W545 HydrophobicContact CG2-CZ3 4.39Å; S541-W545 WeakPolarHBondContact O-CB 3.43Å; S541-W545 PolarHBondContact O-N 2.84Å; L542-W545 HydrophobicContact CD1-CE3 4.01Å; L542-W545 HydrophobicContact CD1-CZ3 4.33Å; L542-W545 PolarHBondContact O-N 2.77Å; K543-W545 VanDerWaalsContact C-N 3.31Å; K543-W545 PolarHBondContact O-N 2.8Å; W545-E547 PolarHBondContact O-N 2.87Å; W545-K548 PolarHBondContact O-N 3.02Å; W545-K548 VanDerWaalsContact O-N 3.07Å; W545-L549 HydrophobicContact CD2-CD1 4.01Å; W545-L549 HydrophobicContact CD2-CG 4.27Å; W545-L549 HydrophobicContact CE3-CD1 3.76Å; W545-L549 HydrophobicContact CE3-CG 4.47Å; W545-L549 HydrophobicContact CH2-CD1 3.61Å; W545-L549 HydrophobicContact CZ2-CD1 3.83Å; W545-L549 HydrophobicContact CZ2-CD2 4.31Å; W545-L549 HydrophobicContact CZ2-CG 4.38Å; W545-L549 HydrophobicContact CZ3-CD1 3.56Å; W545-L549 WeakPolarHBondContact O-CG 3.27Å; W545-L549 PolarHBondContact O-N 3.14Å
546	V	90.6	Very high	86.7	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-26.8	175.2	164.9	0	0	0	0	113	L542 K543 V554 R572	L542-V546 HydrophobicContact CD1-CG2 4.39Å; L542-V546 HydrophobicContact CG-CG2 4.29Å; L542-V546 WeakPolarHBondContact O-CB 3.3Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.37Å; L542-V546 PolarHBondContact O-N 3.27Å; K543-V546 PolarHBondContact O-N 2.81Å; V546-V554 HydrophobicContact CB-CG2 4.47Å; V546-V554 HydrophobicContact CG1-CG2 4.04Å; V546-V554 HydrophobicContact CG2-CG2 3.99Å; V546-R572 HydrophobicContact CG1-CG 3.89Å; V546-R572 VanDerWaalsContact CG1-NE 3.31Å; V546-R572 PolarHBondContact O-NH2 2.86Å
547	E	88.9	Confident	86.4	Confident	89 Å²	89	55 Å²	55	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-82.3	-31.4	171.9	-75	174.8	-170.4	0	0	113.4	K543 W545 H576	K543-E547 IonicContact NZ-OE1 3.01Å; K543-E547 PolarHBondContact NZ-OE1 2.92Å; K543-E547 IonicContact NZ-OE2 3.06Å; K543-E547 WeakPolarHBondContact O-CG 3.45Å; K543-E547 PolarHBondContact O-N 3.04Å; W545-E547 PolarHBondContact O-N 2.87Å; E547-H576 IonicContact OE1-NE2 2.97Å; E547-H576 IonicContact OE2-CE1 3.65Å; E547-H576 IonicContact OE2-NE2 2.75Å
548	K	88.5	Confident	86.5	Confident	185 Å²	185	52.9 Å²	52.9	80%	0.804	26%	0.264	S	S	*	.	H	α-helix	trans	-76.9	-29.9	176.8	-177.9	-179.4	175.9	-174.3	0	113.1	Q544 W545	Q544-K548 VanDerWaalsContact O-CB 3.31Å; Q544-K548 WeakPolarHBondContact O-CB 3.41Å; Q544-K548 PolarHBondContact O-N 3.36Å; W545-K548 PolarHBondContact O-N 3.02Å; W545-K548 VanDerWaalsContact O-N 3.07Å
549	L	86.1	Confident	86.7	Confident	38 Å²	38	49.9 Å²	49.9	20%	0.199	25%	0.248	C	C	.	.	S	Bend	trans	-61	162.5	174.8	-76.8	178	0	0	0	112.1	W545 R551 T553 V554	W545-L549 HydrophobicContact CD2-CD1 4.01Å; W545-L549 HydrophobicContact CD2-CG 4.27Å; W545-L549 HydrophobicContact CE3-CD1 3.76Å; W545-L549 HydrophobicContact CE3-CG 4.47Å; W545-L549 HydrophobicContact CH2-CD1 3.61Å; W545-L549 HydrophobicContact CZ2-CD1 3.83Å; W545-L549 HydrophobicContact CZ2-CD2 4.31Å; W545-L549 HydrophobicContact CZ2-CG 4.38Å; W545-L549 HydrophobicContact CZ3-CD1 3.56Å; W545-L549 WeakPolarHBondContact O-CG 3.27Å; W545-L549 PolarHBondContact O-N 3.14Å; L549-R551 PolarHBondContact O-N 3.01Å; L549-T553 HydrophobicContact CD1-CG2 3.9Å; L549-T553 HydrophobicContact CD2-CG2 4.25Å; L549-V554 HydrophobicContact CD1-CG2 4.22Å
550	K	81.4	Confident	86.9	Confident	114 Å²	114	49.8 Å²	49.8	50%	0.496	25%	0.247	S	C	.	.			trans	-53.3	138.3	161.4	-60	176	-176	174	0	107.4	T292 D552 T553	T292-K550 HydrophobicContact CG2-CD 4.46Å; K550-D552 PolarHBondContact O-N 2.89Å; K550-T553 PolarHBondContact O-N 3.18Å; K550-T553 VanDerWaalsContact O-N 3.16Å
551	R	71.8	Confident	87	Confident	205 Å²	205	52 Å²	52	77%	0.774	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-31.7	178.5	-77.3	-174.1	172	83.8	3.6	112.5	L549 R572	L549-R551 PolarHBondContact O-N 3.01Å; R551-R572 PolarHBondContact O-NH1 2.92Å; R551-R572 PolarHBondContact O-NH2 3.46Å
552	D	74.8	Confident	87	Confident	39 Å²	39	51.4 Å²	51.4	21%	0.209	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-22.4	-164.5	-51.1	-21.2	0	0	0	113.7	K296 K550 V554	K296-D552 HydrophobicContact CB-CB 3.93Å; K296-D552 WeakPolarHBondContact CB-OD1 3.29Å; K296-D552 VanDerWaalsContact CD-CA 3.47Å; K296-D552 HydrophobicContact CD-CB 3.59Å; K296-D552 HydrophobicContact CG-CB 4.39Å; K296-D552 PolarHBondContact NZ-O 3.25Å; K550-D552 PolarHBondContact O-N 2.89Å; D552-V554 PolarHBondContact O-N 2.89Å
553	T	83	Confident	86.9	Confident	4 Å²	4	54 Å²	54	3%	0.025	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.5	-173	-62.8	0	0	0	0	113.5	L523 E524 Q525 I526 L549 K550	L523-T553 HydrophobicContact CD2-CG2 4.38Å; L523-T553 HydrophobicContact CG-CG2 4.19Å; E524-T553 WeakPolarHBondContact O-CA 3.48Å; E524-T553 PolarHBondContact O-OG1 3.29Å; Q525-T553 CarbonylContact C-O 3.5Å; Q525-T553 VanDerWaalsContact CA-O 3.29Å; Q525-T553 WeakPolarHBondContact CA-O 3.31Å; I526-T553 PolarHBondContact N-O 3.3Å; L549-T553 HydrophobicContact CD1-CG2 3.9Å; L549-T553 HydrophobicContact CD2-CG2 4.25Å; K550-T553 PolarHBondContact O-N 3.18Å; K550-T553 VanDerWaalsContact O-N 3.16Å
554	V	87.3	Confident	86.8	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.7	169.6	-175.8	0	0	0	0	108.6	K296 I526 V546 L549 D552 V558	K296-V554 PolarHBondContact NZ-O 3.42Å; I526-V554 HydrophobicContact CG2-CG2 4.02Å; V546-V554 HydrophobicContact CB-CG2 4.47Å; V546-V554 HydrophobicContact CG1-CG2 4.04Å; V546-V554 HydrophobicContact CG2-CG2 3.99Å; L549-V554 HydrophobicContact CD1-CG2 4.22Å; D552-V554 PolarHBondContact O-N 2.89Å; V554-V558 HydrophobicContact CG1-CG2 3.98Å
555	V	79.1	Confident	86.6	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	142.1	174.9	-163.5	0	0	0	0	109.5	D280 I293 Q525 I526 Y527	D280-V555 WeakPolarHBondContact OD2-CG1 3.28Å; I293-V555 HydrophobicContact CD1-CB 4.14Å; I293-V555 HydrophobicContact CD1-CG1 3.82Å; I293-V555 HydrophobicContact CD1-CG2 3.68Å; Q525-V555 HydrophobicContact CB-CG2 4.08Å; I526-V555 PolarHBondContact O-N 3.28Å; Y527-V555 HydrophobicContact CD1-CB 3.58Å; Y527-V555 HydrophobicContact CD1-CG1 3.6Å; Y527-V555 HydrophobicContact CD1-CG2 4.02Å; Y527-V555 HydrophobicContact CD2-CB 4.39Å; Y527-V555 HydrophobicContact CD2-CG2 3.99Å; Y527-V555 HydrophobicContact CE1-CB 3.8Å; Y527-V555 HydrophobicContact CE1-CG1 3.43Å; Y527-V555 VanDerWaalsContact CE1-CG1 3.43Å; Y527-V555 HydrophobicContact CE1-CG2 3.97Å; Y527-V555 HydrophobicContact CE2-CG2 3.9Å; Y527-V555 HydrophobicContact CG-CB 3.91Å; Y527-V555 HydrophobicContact CG-CG1 4.42Å; Y527-V555 HydrophobicContact CG-CG2 4.04Å
556	G	79.1	Confident	86.5	Confident	41 Å²	41	67.5 Å²	67.5	42%	0.423	33%	0.326	S	S	.	.	S	Bend	trans	61.3	-156.5	-173.3	0	0	0	0	0	114.5	E529	E529-G556 VanDerWaalsContact OE1-CA 3.29Å; E529-G556 WeakPolarHBondContact OE1-CA 3.47Å; E529-G556 PolarHBondContact OE1-N 2.85Å
557	S	85.1	Confident	86.5	Confident	51 Å²	51	72.2 Å²	72.2	36%	0.357	35%	0.347	S	S	.	.			trans	-117.3	134.4	179.4	53.2	0	0	0	0	111.1	L559	S557-L559 PolarHBondContact O-N 2.88Å
558	V	91.4	Very high	86.5	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.036	35%	0.352	C	S	.	.			trans	-87.3	97	175.5	-179.2	0	0	0	0	108	L528 W533 V554 E570 L571	L528-V558 HydrophobicContact CB-CG2 3.9Å; L528-V558 HydrophobicContact CD1-CG2 4.22Å; W533-V558 HydrophobicContact CD2-CG1 4.36Å; W533-V558 HydrophobicContact CG-CG1 4.06Å; V554-V558 HydrophobicContact CG1-CG2 3.98Å; V558-E570 CarbonylContact O-C 3.59Å; V558-E570 WeakPolarHBondContact O-CA 3.38Å; V558-L571 HydrophobicContact CB-CB 4.04Å; V558-L571 HydrophobicContact CB-CD2 4.46Å; V558-L571 HydrophobicContact CG1-CB 3.89Å; V558-L571 HydrophobicContact CG1-CD2 3.79Å; V558-L571 HydrophobicContact CG1-CG 4.5Å; V558-L571 PolarHBondContact O-N 3.43Å
559	L	93.3	Very high	86.6	Confident	61 Å²	61	66.7 Å²	66.7	32%	0.319	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-90.9	128.9	-179.1	-60	179.3	0	0	0	111	S557 T569 E570	S557-L559 PolarHBondContact O-N 2.88Å; L559-T569 WeakPolarHBondContact CA-O 3.06Å; L559-E570 HydrophobicContact CD2-CB 4.39Å
560	C	94.6	Very high	86.8	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.7	173.4	-58.6	0	0	0	0	110.8	C535 V566 K567 Q568 T569 L574	C535-C560 HydrophobicContact CB-CB 3.73Å; C535-C560 WeakPolarHBondContact CB-SG 3.47Å; C535-C560 VanDerWaalsContact SG-CA 3.57Å; C535-C560 WeakPolarHBondContact SG-CB 3.03Å; C535-C560 CovalentContact SG-SG 2.02Å; C535-C560 PolarHBondContact SG-SG 3.49Å; C560-V566 HydrophobicContact CB-CG2 4.19Å; C560-V566 WeakPolarHBondContact CB-O 3.41Å; C560-K567 CarbonylContact O-C 3.14Å; C560-K567 WeakPolarHBondContact O-CA 3.31Å; C560-Q568 PolarHBondContact O-N 3.32Å; C560-T569 PolarHBondContact N-O 3.26Å; C560-L574 VanDerWaalsContact SG-CD1 3.55Å
561	E	93.9	Very high	87.3	Confident	61 Å²	61	63.1 Å²	63.1	29%	0.285	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-34.9	171.7	176.6	53.2	-160.8	0	0	111.4	P532 W533 K567 Q568	P532-E561 HydrophobicContact CB-CG 4.45Å; W533-E561 PolarHBondContact O-N 2.99Å; E561-K567 WeakPolarHBondContact O-CB 3.38Å; E561-K567 IonicContact OE1-NZ 2.68Å; E561-K567 PolarHBondContact OE1-NZ 2.66Å; E561-K567 WeakPolarHBondContact OE2-CD 3.4Å; E561-K567 WeakPolarHBondContact OE2-CE 3.24Å; E561-K567 IonicContact OE2-NZ 3.97Å; E561-K567 PolarHBondContact OE2-NZ 2.69Å; E561-Q568 PolarHBondContact OE2-NE2 3.25Å
562	T	90.9	Very high	88.1	Confident	54 Å²	54	57.3 Å²	57.3	33%	0.331	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.3	169.6	55.8	0	0	0	0	111.4	W533 D534 C535	W533-T562 PolarHBondContact O-N 3Å; D534-T562 WeakPolarHBondContact CA-OG1 3.31Å; D534-T562 VanDerWaalsContact CB-OG1 3.26Å; D534-T562 WeakPolarHBondContact CB-OG1 2.88Å; D534-T562 VanDerWaalsContact OD1-C 3.29Å; D534-T562 VanDerWaalsContact OD1-CB 3.27Å; D534-T562 WeakPolarHBondContact OD1-CB 3Å; D534-T562 PolarHBondContact OD1-OG1 3.22Å; C535-T562 PolarHBondContact N-O 3.45Å
563	P	90.7	Very high	88.7	Confident	54 Å²	54	59.3 Å²	59.3	35%	0.351	31%	0.306	S	S	.	.	S	Bend	cis	-69	158.9	-15.2	29.6	-35.4	0	0	0	112.3	K565 V566 K567	P563-K565 PolarHBondContact O-N 3.09Å; P563-V566 HydrophobicContact CG-CG2 4.05Å; P563-V566 WeakPolarHBondContact O-CG2 3.34Å; P563-V566 PolarHBondContact O-N 3.4Å; P563-K567 PolarHBondContact O-N 3.01Å
564	K	88.6	Confident	88.9	Confident	196 Å²	196	60 Å²	60	85%	0.852	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-21.8	-173.9	-67.2	-173.9	179.2	-178.2	0	116	V566	K564-V566 VanDerWaalsContact C-N 3.32Å
565	K	87.1	Confident	88.8	Confident	206 Å²	206	68.3 Å²	68.3	90%	0.896	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.8	176.8	-65.8	-178.6	179.7	177.4	0	113.9	P563	P563-K565 PolarHBondContact O-N 3.09Å
566	V	89.8	Confident	89.2	Confident	9 Å²	9	71.5 Å²	71.5	6%	0.055	36%	0.355	C	S	.	.	S	Bend	trans	-122.3	10.2	-176.6	-62.8	0	0	0	0	112.4	C535 C560 P563 K564 Q568 T569 L574	C535-V566 HydrophobicContact CB-CG2 3.99Å; C560-V566 HydrophobicContact CB-CG2 4.19Å; C560-V566 WeakPolarHBondContact CB-O 3.41Å; P563-V566 HydrophobicContact CG-CG2 4.05Å; P563-V566 WeakPolarHBondContact O-CG2 3.34Å; P563-V566 PolarHBondContact O-N 3.4Å; K564-V566 VanDerWaalsContact C-N 3.32Å; V566-Q568 PolarHBondContact O-N 2.81Å; V566-T569 WeakPolarHBondContact O-CB 3.49Å; V566-T569 WeakPolarHBondContact O-CG2 3.48Å; V566-T569 PolarHBondContact O-N 3.04Å; V566-T569 VanDerWaalsContact O-N 3.08Å; V566-T569 PolarHBondContact O-OG1 2.8Å; V566-L574 HydrophobicContact CB-CD1 4.26Å; V566-L574 HydrophobicContact CB-CD2 4.31Å; V566-L574 HydrophobicContact CG1-CD1 4.4Å; V566-L574 HydrophobicContact CG1-CD2 3.93Å; V566-L574 HydrophobicContact CG2-CD1 4.5Å
567	K	90.6	Very high	89.3	Confident	99 Å²	99	75.8 Å²	75.8	43%	0.43	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	135.2	178.5	170.2	162.1	170.4	145.9	0	111.1	C560 E561 P563 T569	C560-K567 CarbonylContact O-C 3.14Å; C560-K567 WeakPolarHBondContact O-CA 3.31Å; E561-K567 WeakPolarHBondContact O-CB 3.38Å; E561-K567 IonicContact OE1-NZ 2.68Å; E561-K567 PolarHBondContact OE1-NZ 2.66Å; E561-K567 WeakPolarHBondContact OE2-CD 3.4Å; E561-K567 WeakPolarHBondContact OE2-CE 3.24Å; E561-K567 IonicContact OE2-NZ 3.97Å; E561-K567 PolarHBondContact OE2-NZ 2.69Å; P563-K567 PolarHBondContact O-N 3.01Å; K567-T569 PolarHBondContact O-N 2.72Å
568	Q	89.3	Confident	89	Confident	113 Å²	113	79.1 Å²	79.1	53%	0.528	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	22.7	-175	-57.5	-63.5	-52.9	0	0	114.8	C560 E561 V566	C560-Q568 PolarHBondContact O-N 3.32Å; E561-Q568 PolarHBondContact OE2-NE2 3.25Å; V566-Q568 PolarHBondContact O-N 2.81Å
569	T	90.8	Very high	88.6	Confident	46 Å²	46	79.2 Å²	79.2	28%	0.282	38%	0.376	S	S	.	.			trans	-95.3	150.2	166.2	69	0	0	0	0	111.2	L559 C560 V566 K567	L559-T569 WeakPolarHBondContact CA-O 3.06Å; C560-T569 PolarHBondContact N-O 3.26Å; V566-T569 WeakPolarHBondContact O-CB 3.49Å; V566-T569 WeakPolarHBondContact O-CG2 3.48Å; V566-T569 PolarHBondContact O-N 3.04Å; V566-T569 VanDerWaalsContact O-N 3.08Å; V566-T569 PolarHBondContact O-OG1 2.8Å; K567-T569 PolarHBondContact O-N 2.72Å
570	E	91.3	Very high	88.2	Confident	75 Å²	75	77.2 Å²	77.2	35%	0.35	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-79.4	131.7	178.4	-170.2	-166.2	165.3	0	0	111.2	V558 L559 R572 S573	V558-E570 CarbonylContact O-C 3.59Å; V558-E570 WeakPolarHBondContact O-CA 3.38Å; L559-E570 HydrophobicContact CD2-CB 4.39Å; E570-R572 HydrophobicContact CG-CB 4.41Å; E570-R572 PolarHBondContact O-N 3.36Å; E570-R572 VanDerWaalsContact O-N 3.14Å; E570-S573 WeakPolarHBondContact O-CB 3.41Å; E570-S573 PolarHBondContact O-N 3.37Å; E570-S573 PolarHBondContact O-OG 2.93Å
571	L	91	Very high	87.2	Confident	1 Å²	1	82.6 Å²	82.6	1%	0.005	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-52.6	-37.4	-179.7	-177.7	59.2	0	0	0	113.6	L539 L542 K543 V558 S573 L574 L579	L539-L571 HydrophobicContact CD2-CD1 3.89Å; L539-L571 HydrophobicContact CD2-CD2 4.03Å; L539-L571 HydrophobicContact CG-CD2 4.37Å; L542-L571 HydrophobicContact CD2-CD2 4.38Å; K543-L571 HydrophobicContact CB-CD1 4.04Å; K543-L571 HydrophobicContact CB-CD2 4.31Å; K543-L571 HydrophobicContact CB-CG 4.16Å; K543-L571 HydrophobicContact CD-CD1 4.12Å; K543-L571 WeakPolarHBondContact CE-O 3.32Å; K543-L571 HydrophobicContact CG-CD1 4.11Å; K543-L571 HydrophobicContact CG-CG 4.16Å; V558-L571 HydrophobicContact CB-CB 4.04Å; V558-L571 HydrophobicContact CB-CD2 4.46Å; V558-L571 HydrophobicContact CG1-CB 3.89Å; V558-L571 HydrophobicContact CG1-CD2 3.79Å; V558-L571 HydrophobicContact CG1-CG 4.5Å; V558-L571 PolarHBondContact O-N 3.43Å; L571-S573 VanDerWaalsContact C-N 3.27Å; L571-S573 PolarHBondContact O-N 2.92Å; L571-L574 PolarHBondContact O-N 3.03Å; L571-L579 HydrophobicContact CD1-CD2 3.83Å
572	R	87.6	Confident	85.8	Confident	83 Å²	83	83.1 Å²	83.1	31%	0.313	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19.3	177.2	-74.2	179.6	158.4	171.4	-3.4	113.9	V546 R551 E570	V546-R572 HydrophobicContact CG1-CG 3.89Å; V546-R572 VanDerWaalsContact CG1-NE 3.31Å; V546-R572 PolarHBondContact O-NH2 2.86Å; R551-R572 PolarHBondContact O-NH1 2.92Å; R551-R572 PolarHBondContact O-NH2 3.46Å; E570-R572 HydrophobicContact CG-CB 4.41Å; E570-R572 PolarHBondContact O-N 3.36Å; E570-R572 VanDerWaalsContact O-N 3.14Å
573	S	88.1	Confident	84.3	Confident	81 Å²	81	85.4 Å²	85.4	57%	0.566	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-86.3	-18	178.1	75.3	0	0	0	0	113.6	E570 L571	E570-S573 WeakPolarHBondContact O-CB 3.41Å; E570-S573 PolarHBondContact O-N 3.37Å; E570-S573 PolarHBondContact O-OG 2.93Å; L571-S573 VanDerWaalsContact C-N 3.27Å; L571-S573 PolarHBondContact O-N 2.92Å
574	L	87.8	Confident	82.1	Confident	20 Å²	20	91.1 Å²	91.1	11%	0.105	46%	0.456	C	S	.	.	S	Bend	trans	-79.1	146	-176	-65.8	178.7	0	0	0	112.4	C535 K543 C560 V566 L571 L579	C535-L574 HydrophobicContact CB-CD1 4.12Å; K543-L574 WeakPolarHBondContact CE-O 3.44Å; K543-L574 PolarHBondContact NZ-O 3.14Å; C560-L574 VanDerWaalsContact SG-CD1 3.55Å; V566-L574 HydrophobicContact CB-CD1 4.26Å; V566-L574 HydrophobicContact CB-CD2 4.31Å; V566-L574 HydrophobicContact CG1-CD1 4.4Å; V566-L574 HydrophobicContact CG1-CD2 3.93Å; V566-L574 HydrophobicContact CG2-CD1 4.5Å; L571-L574 PolarHBondContact O-N 3.03Å; L574-L579 HydrophobicContact CB-CD1 3.64Å; L574-L579 HydrophobicContact CD1-CD1 4.05Å; L574-L579 HydrophobicContact CD1-CG 4.47Å
575	R	85.8	Confident	79.9	Confident	176 Å²	176	87.2 Å²	87.2	66%	0.664	45%	0.448	S	S	*	.			trans	-81.2	148.7	170.3	-53.8	-175.6	-165.2	172.6	4.3	110.3	E577 M578 L579	R575-E577 VanDerWaalsContact C-N 3.27Å; R575-E577 PolarHBondContact O-N 3.37Å; R575-M578 HydrophobicContact CB-CG 4.04Å; R575-M578 WeakPolarHBondContact O-CB 3.26Å; R575-M578 PolarHBondContact O-N 3.37Å; R575-L579 VanDerWaalsContact O-CD1 3.31Å; R575-L579 WeakPolarHBondContact O-CD1 3.32Å
576	H	86.9	Confident	77.5	Confident	68 Å²	68	82.7 Å²	82.7	32%	0.315	44%	0.442	S	S	.	.	H	α-helix	trans	-55.4	-41.1	177.5	-64.5	111.7	0	0	0	112.9	L540 K543 E547 M578 L579 C580	L540-H576 HydrophobicContact CD1-CB 4.09Å; K543-H576 PolarHBondContact NZ-CD2 3.38Å; K543-H576 PolarHBondContact NZ-CE1 3.2Å; K543-H576 PolarHBondContact NZ-NE2 2.97Å; E547-H576 IonicContact OE1-NE2 2.97Å; E547-H576 IonicContact OE2-CE1 3.65Å; E547-H576 IonicContact OE2-NE2 2.75Å; H576-M578 PolarHBondContact O-N 2.94Å; H576-L579 PolarHBondContact O-N 3.3Å; H576-C580 PolarHBondContact O-N 2.99Å
577	E	80.9	Confident	74.9	Confident	132 Å²	132	87.5 Å²	87.5	62%	0.617	47%	0.472	S	S	*	.	H	α-helix	trans	-54.9	-30.2	172.8	-62.9	152.5	-164	0	0	114.3	R575 C580 P581	R575-E577 VanDerWaalsContact C-N 3.27Å; R575-E577 PolarHBondContact O-N 3.37Å; E577-C580 CarbonylContact O-C 3.46Å; E577-P581 WeakPolarHBondContact O-CA 3.41Å
578	M	78.6	Confident	72.3	Confident	120 Å²	120	89.3 Å²	89.3	59%	0.591	49%	0.491	S	S	*	.	H	α-helix	trans	-82.1	-23.2	-176.6	-64.4	-77.3	-73.6	0	0	112.6	R575 H576	R575-M578 HydrophobicContact CB-CG 4.04Å; R575-M578 WeakPolarHBondContact O-CB 3.26Å; R575-M578 PolarHBondContact O-N 3.37Å; H576-M578 PolarHBondContact O-N 2.94Å
579	L	83	Confident	69.7	Low	8 Å²	8	90.1 Å²	90.1	4%	0.042	50%	0.504	C	S	.	.	H	α-helix	trans	-88.4	-38.8	171	-69.6	88.9	0	0	0	111.4	C535 S536 C537 L539 K543 L571 L574 R575 H576	C535-L579 HydrophobicContact CB-CD2 4.3Å; C535-L579 WeakPolarHBondContact O-CG 3.33Å; S536-L579 CarbonylContact C-O 3.55Å; C537-L579 PolarHBondContact N-O 3.28Å; C537-L579 VanDerWaalsContact N-O 3.11Å; L539-L579 HydrophobicContact CB-CD2 4.29Å; K543-L579 HydrophobicContact CD-CD1 3.76Å; K543-L579 HydrophobicContact CD-CD2 4.1Å; L571-L579 HydrophobicContact CD1-CD2 3.83Å; L574-L579 HydrophobicContact CB-CD1 3.64Å; L574-L579 HydrophobicContact CD1-CD1 4.05Å; L574-L579 HydrophobicContact CD1-CG 4.47Å; R575-L579 VanDerWaalsContact O-CD1 3.31Å; R575-L579 WeakPolarHBondContact O-CD1 3.32Å; H576-L579 PolarHBondContact O-N 3.3Å
580	C	85.2	Confident	67.1	Low	19 Å²	19	97 Å²	97	13%	0.128	53%	0.533	C	S	.	.	S	Bend	trans	-135.5	82.8	-176.1	-155	0	0	0	0	111.9	C537 L540 H576 E577 G582	C537-C580 HydrophobicContact CB-CB 3.62Å; C537-C580 WeakPolarHBondContact CB-SG 3.38Å; C537-C580 WeakPolarHBondContact SG-CB 3.05Å; C537-C580 CovalentContact SG-SG 2.04Å; C537-C580 PolarHBondContact SG-SG 3.2Å; L540-C580 HydrophobicContact CD2-CB 4.42Å; H576-C580 PolarHBondContact O-N 2.99Å; E577-C580 CarbonylContact O-C 3.46Å; C580-G582 PolarHBondContact O-N 2.94Å
581	P	73.7	Confident	64.2	Low	114 Å²	114	96.8 Å²	96.8	74%	0.74	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	116.7	176.2	28.2	-33.5	0	0	0	110.4	E577	E577-P581 WeakPolarHBondContact O-CA 3.41Å
582	G	64	Low	61.8	Low	72 Å²	72	102.8 Å²	102.8	74%	0.742	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.4	2.6	-178.7	0	0	0	0	0	115.5	C580 E584	C580-G582 PolarHBondContact O-N 2.94Å; G582-E584 VanDerWaalsContact C-N 3.26Å; G582-E584 PolarHBondContact O-N 2.04Å
583	L	60.2	Low	59.7	Low	101 Å²	101	104.5 Å²	104.5	53%	0.529	61%	0.612	S	S	.	*			trans	-77	67.1	178.7	-154.3	93.4	0	0	0	112.6	L540 T585	L540-L583 HydrophobicContact CD2-CD1 4.31Å; L540-L583 HydrophobicContact CD2-CD2 4.21Å; L583-T585 PolarHBondContact O-N 3.25Å; L583-T585 VanDerWaalsContact O-N 3.1Å
584	E	44.1	Very low	56.9	Low	175 Å²	175	105 Å²	105	82%	0.818	62%	0.62	S	S	*	*			trans	-64.6	107.8	177.3	-70.9	-166.8	162.7	0	0	111.8	G582 S586	G582-E584 VanDerWaalsContact C-N 3.26Å; G582-E584 PolarHBondContact O-N 2.04Å; E584-S586 PolarHBondContact O-N 3.04Å
585	T	41.8	Very low	54.2	Low	113 Å²	113	112.1 Å²	112.1	69%	0.693	66%	0.659	S	S	*	*			trans	-72.7	93.8	175.4	52.3	0	0	0	0	110.6	L583 T587	L583-T585 PolarHBondContact O-N 3.25Å; L583-T585 VanDerWaalsContact O-N 3.1Å; T585-T587 VanDerWaalsContact C-N 3.28Å; T585-T587 PolarHBondContact O-N 2.96Å
586	S	36.3	Very low	51.8	Low	111 Å²	111	113.1 Å²	113.1	78%	0.776	67%	0.668	S	S	*	*			trans	-69.4	73.8	179.2	-53.3	0	0	0	0	113.4	E584 V588	E584-S586 PolarHBondContact O-N 3.04Å; S586-V588 PolarHBondContact O-N 3.2Å
587	T	36.4	Very low	49.2	Very low	111 Å²	111	115.3 Å²	115.3	68%	0.681	69%	0.691	S	S	*	*			trans	-81.7	97.8	171.1	51.3	0	0	0	0	110.9	T585 T589	T585-T587 VanDerWaalsContact C-N 3.28Å; T585-T587 PolarHBondContact O-N 2.96Å; T587-T589 PolarHBondContact O-N 3.32Å; T587-T589 PolarHBondContact O-OG1 3.4Å
588	V	35.9	Very low	47.1	Very low	137 Å²	137	116.6 Å²	116.6	83%	0.83	70%	0.701	S	S	*	*			trans	-53.4	124.2	175.3	177.4	0	0	0	0	110.8	S586	S586-V588 PolarHBondContact O-N 3.2Å
589	T	34.9	Very low	45.1	Very low	130 Å²	130	119.5 Å²	119.5	80%	0.798	72%	0.715	S	S	*	*			trans	-132	117.7	172.7	21.1	0	0	0	0	110.6	T587	T587-T589 PolarHBondContact O-N 3.32Å; T587-T589 PolarHBondContact O-OG1 3.4Å
590	Q	36.3	Very low	42.7	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	76%	0.757	S	S	*	*			trans	-92	122.6	158.3	-67.3	-176.6	-8.8	0	0	107.2
591	G	30.5	Very low	40.3	Very low	70 Å²	70	131.8 Å²	131.8	72%	0.722	79%	0.789	S	S	*	*			trans	-91.3	-138.2	177.3	0	0	0	0	0	111.9
592	P	40.3	Very low	38.5	Very low	128 Å²	128	133.9 Å²	133.9	83%	0.831	79%	0.793	S	S	*	*			cis	-133.3	-138.6	-6.8	31.5	-5.6	0	0	0	111.3
593	P	42.3	Very low	37.8	Very low	119 Å²	119	136.3 Å²	136.3	77%	0.773	79%	0.794	S	S	*	*				-128.7	149.8	-92.6	39.1	-23.9	0	0	0	115.8
594	A	30.4	Very low	36.8	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	80%	0.8	S	S	*	*			trans	-163.5	85.9	157.9	0	0	0	0	0	115
595	N	31.6	Very low	37.1	Very low	170 Å²	170	136.4 Å²	136.4	91%	0.909	80%	0.8	S	S	*	*				169.7	155	121.4	-87.3	-29.3	0	0	0	112.2
596	K	34.2	Very low	37.8	Very low	198 Å²	198	136.9 Å²	136.9	86%	0.861	80%	0.797	S	S	*	*			trans	-101.2	136.1	-169.9	-67.9	-177	176.2	-179.5	0	113.1
597	S	33.1	Very low	39	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	78%	0.783	S	S	*	*			trans	28.7	116.4	143.9	61.6	0	0	0	0	119.6
598	L	36.9	Very low	39.9	Very low	160 Å²	160	136 Å²	136	84%	0.838	78%	0.783	S	S	*	*	S	Bend	trans	-146.1	12.6	161.1	-132.1	168	0	0	0	114.6
599	M	35.8	Very low	41.5	Very low	181 Å²	181	133.3 Å²	133.3	89%	0.892	77%	0.77	S	S	*	*	S	Bend	trans	-144.5	74.6	174.7	-79.3	-63.3	158.3	0	0	110.8
600	D	33.6	Very low	43.1	Very low	171 Å²	171	131 Å²	131	91%	0.914	76%	0.756	S	S	*	*	S	Bend	trans	-157.1	59.1	161.3	-133.4	-10	0	0	0	111.9
601	S	34.2	Very low	44.5	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	74%	0.738	S	S	*	*			trans	-177.4	95	160.5	171.8	0	0	0	0	109.8
602	L	36.7	Very low	46.7	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	73%	0.727	S	S	*	*			trans	-173.5	61.9	151.2	-106	164.2	0	0	0	110.8
603	T	47.9	Very low	48.2	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	72%	0.715	S	S	*	*			trans	-65.4	154.8	143.7	46.8	0	0	0	0	108.8
604	D	40.3	Very low	49.6	Very low	125 Å²	125	124.4 Å²	124.4	67%	0.668	70%	0.699	S	S	*	*			trans	60.9	100.8	178.6	-54.6	-31.5	0	0	0	116.4
605	N	48.9	Very low	52	Low	152 Å²	152	126.7 Å²	126.7	81%	0.813	69%	0.693	S	S	*	*				175.5	98.2	100.5	-92.8	-75	0	0	0	110.2	P607	N605-P607 WeakPolarHBondContact O-CD 3.17Å
606	I	58	Low	54.2	Low	124 Å²	124	123 Å²	123	64%	0.636	67%	0.673	S	S	*	*			trans	-78.6	117.6	168.4	-60.7	176.8	0	0	0	107.6	L608 V610 L611	I606-L608 PolarHBondContact O-N 2.94Å; I606-V610 HydrophobicContact CG2-CB 4.44Å; I606-L611 HydrophobicContact CG2-CD1 4.23Å; I606-L611 HydrophobicContact CG2-CG 4.21Å
607	P	59.9	Low	56.5	Low	74 Å²	74	118.2 Å²	118.2	48%	0.481	66%	0.655	S	S	.	*			trans	-66.8	137.3	-177.4	26.8	-33.9	0	0	0	110.8	N605 S609 V610	N605-P607 WeakPolarHBondContact O-CD 3.17Å; P607-S609 PolarHBondContact O-N 3.04Å; P607-V610 HydrophobicContact CG-CG2 3.95Å; P607-V610 PolarHBondContact O-N 3.46Å
608	L	57.2	Low	58.9	Low	130 Å²	130	119.1 Å²	119.1	68%	0.681	65%	0.645	S	S	*	*	H	α-helix	trans	-53.5	-30.5	-173.9	-151.5	79.9	0	0	0	113.1	I606 V610 L611 I612	I606-L608 PolarHBondContact O-N 2.94Å; L608-V610 VanDerWaalsContact C-N 3.31Å; L608-V610 PolarHBondContact O-N 3.15Å; L608-L611 PolarHBondContact O-N 3.39Å; L608-I612 HydrophobicContact CD2-CD1 4.06Å; L608-I612 HydrophobicContact CG-CD1 4.11Å; L608-I612 WeakPolarHBondContact O-CB 3.37Å; L608-I612 VanDerWaalsContact O-CG1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.36Å; L608-I612 PolarHBondContact O-N 2.63Å
609	S	68.4	Low	60.9	Low	79 Å²	79	114.2 Å²	114.2	55%	0.552	62%	0.621	S	S	*	*	H	α-helix	trans	-58.2	-36	175.6	51	0	0	0	0	113.8	P607 L613	P607-S609 PolarHBondContact O-N 3.04Å; S609-L613 WeakPolarHBondContact O-CB 3.31Å; S609-L613 PolarHBondContact O-N 3.26Å
610	V	69.3	Low	63	Low	82 Å²	82	109.2 Å²	109.2	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-75.1	-38.8	-179.3	174.4	0	0	0	0	111.2	I606 P607 L608 L613 S614	I606-V610 HydrophobicContact CG2-CB 4.44Å; P607-V610 HydrophobicContact CG-CG2 3.95Å; P607-V610 PolarHBondContact O-N 3.46Å; L608-V610 VanDerWaalsContact C-N 3.31Å; L608-V610 PolarHBondContact O-N 3.15Å; V610-L613 PolarHBondContact O-N 3.49Å; V610-S614 PolarHBondContact O-N 3.36Å; V610-S614 PolarHBondContact O-OG 2.98Å
611	L	65.6	Low	65.2	Low	98 Å²	98	106.4 Å²	106.4	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-67.7	-38.4	173.2	-79.8	162.9	0	0	0	112.1	I606 L608 S614 F615	I606-L611 HydrophobicContact CG2-CD1 4.23Å; I606-L611 HydrophobicContact CG2-CG 4.21Å; L608-L611 PolarHBondContact O-N 3.39Å; L611-S614 PolarHBondContact O-OG 3.01Å; L611-S614 VanDerWaalsContact O-OG 3.14Å; L611-F615 VanDerWaalsContact O-CB 3.31Å; L611-F615 WeakPolarHBondContact O-CB 3.44Å; L611-F615 PolarHBondContact O-N 3.46Å
612	I	75.2	Confident	67.4	Low	97 Å²	97	105.3 Å²	105.3	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-64.4	-43.1	172.5	-70	165.2	0	0	0	110.3	L608 F615 L616	L608-I612 HydrophobicContact CD2-CD1 4.06Å; L608-I612 HydrophobicContact CG-CD1 4.11Å; L608-I612 WeakPolarHBondContact O-CB 3.37Å; L608-I612 VanDerWaalsContact O-CG1 3.27Å; L608-I612 WeakPolarHBondContact O-CG1 3.36Å; L608-I612 PolarHBondContact O-N 2.63Å; I612-F615 PolarHBondContact O-N 3.48Å; I612-L616 VanDerWaalsContact O-CB 3.29Å; I612-L616 WeakPolarHBondContact O-CB 3.24Å; I612-L616 PolarHBondContact O-N 2.83Å
613	L	71.9	Confident	69.6	Low	112 Å²	112	102.1 Å²	102.1	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-66	-42.7	180	-155.4	77.9	0	0	0	112.1	S609 V610 L616 I617	S609-L613 WeakPolarHBondContact O-CB 3.31Å; S609-L613 PolarHBondContact O-N 3.26Å; V610-L613 PolarHBondContact O-N 3.49Å; L613-L616 PolarHBondContact O-N 2.94Å; L613-I617 HydrophobicContact CG-CD1 4.36Å; L613-I617 VanDerWaalsContact O-CG1 3.28Å; L613-I617 WeakPolarHBondContact O-CG1 2.86Å; L613-I617 PolarHBondContact O-N 2.85Å
614	S	73	Confident	71.1	Confident	62 Å²	62	103.1 Å²	103.1	43%	0.434	54%	0.542	S	S	.	.	H	α-helix	trans	-67	-39.5	177.3	68.1	0	0	0	0	112.2	V610 L611 I617 F618	V610-S614 PolarHBondContact O-N 3.36Å; V610-S614 PolarHBondContact O-OG 2.98Å; L611-S614 PolarHBondContact O-OG 3.01Å; L611-S614 VanDerWaalsContact O-OG 3.14Å; S614-I617 PolarHBondContact O-N 3.49Å; S614-F618 WeakPolarHBondContact O-CB 2.72Å; S614-F618 PolarHBondContact O-N 3.22Å
615	F	79.4	Confident	72.7	Confident	138 Å²	138	101 Å²	101	61%	0.605	54%	0.536	S	S	*	.	H	α-helix	trans	-64	-40.4	173.5	-171.2	-98.8	0	0	0	112.1	L611 I612 F618 V619	L611-F615 VanDerWaalsContact O-CB 3.31Å; L611-F615 WeakPolarHBondContact O-CB 3.44Å; L611-F615 PolarHBondContact O-N 3.46Å; I612-F615 PolarHBondContact O-N 3.48Å; F615-F618 PolarHBondContact O-N 2.91Å; F615-V619 HydrophobicContact CD1-CG2 4.09Å; F615-V619 HydrophobicContact CE1-CG2 3.75Å; F615-V619 HydrophobicContact CZ-CG2 4.09Å; F615-V619 WeakPolarHBondContact O-CG2 3.45Å; F615-V619 PolarHBondContact O-N 3.29Å
616	L	79.6	Confident	73.9	Confident	93 Å²	93	96.6 Å²	96.6	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-39.7	178.1	-155.7	160.5	0	0	0	111.3	I612 L613 V619 L620	I612-L616 VanDerWaalsContact O-CB 3.29Å; I612-L616 WeakPolarHBondContact O-CB 3.24Å; I612-L616 PolarHBondContact O-N 2.83Å; L613-L616 PolarHBondContact O-N 2.94Å; L616-V619 PolarHBondContact O-N 3.26Å; L616-L620 HydrophobicContact CD2-CD1 3.67Å; L616-L620 HydrophobicContact CD2-CG 4.12Å; L616-L620 WeakPolarHBondContact O-CB 3.35Å; L616-L620 WeakPolarHBondContact O-CG 3.26Å; L616-L620 PolarHBondContact O-N 3.38Å
617	I	82.6	Confident	74.8	Confident	96 Å²	96	93 Å²	93	49%	0.492	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-43.6	170.9	-69.2	164.1	0	0	0	111	L613 S614 L620 M621	L613-I617 HydrophobicContact CG-CD1 4.36Å; L613-I617 VanDerWaalsContact O-CG1 3.28Å; L613-I617 WeakPolarHBondContact O-CG1 2.86Å; L613-I617 PolarHBondContact O-N 2.85Å; S614-I617 PolarHBondContact O-N 3.49Å; I617-L620 PolarHBondContact O-N 2.97Å; I617-M621 WeakPolarHBondContact O-CG 3.37Å; I617-M621 PolarHBondContact O-N 3.23Å
618	F	81.4	Confident	75.9	Confident	133 Å²	133	91.3 Å²	91.3	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-63	-43.4	178.1	-173.9	-108	0	0	0	112.3	S614 F615 M621 I622	S614-F618 WeakPolarHBondContact O-CB 2.72Å; S614-F618 PolarHBondContact O-N 3.22Å; F615-F618 PolarHBondContact O-N 2.91Å; F618-M621 PolarHBondContact O-N 3.03Å; F618-I622 HydrophobicContact CD1-CD1 3.86Å; F618-I622 HydrophobicContact CE1-CD1 3.55Å; F618-I622 HydrophobicContact CZ-CD1 4.02Å; F618-I622 WeakPolarHBondContact O-CG1 3.28Å; F618-I622 PolarHBondContact O-N 2.94Å
619	V	78.9	Confident	76.7	Confident	56 Å²	56	90.6 Å²	90.6	34%	0.339	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-42.2	173.8	169.7	0	0	0	0	111.5	F615 L616 M621 I622 I623	F615-V619 HydrophobicContact CD1-CG2 4.09Å; F615-V619 HydrophobicContact CE1-CG2 3.75Å; F615-V619 HydrophobicContact CZ-CG2 4.09Å; F615-V619 WeakPolarHBondContact O-CG2 3.45Å; F615-V619 PolarHBondContact O-N 3.29Å; L616-V619 PolarHBondContact O-N 3.26Å; V619-M621 PolarHBondContact O-N 2.84Å; V619-I622 PolarHBondContact O-N 3.46Å; V619-I623 HydrophobicContact CG1-CD1 3.9Å; V619-I623 VanDerWaalsContact O-CG1 3.32Å; V619-I623 WeakPolarHBondContact O-CG1 3.47Å; V619-I623 PolarHBondContact O-N 3.16Å
620	L	80.1	Confident	77	Confident	76 Å²	76	91.3 Å²	91.3	40%	0.398	50%	0.499	S	S	.	.	H	α-helix	trans	-61.1	-42.7	174.4	-76.4	170.1	0	0	0	111.9	L616 I617 I622 I623 F624	L616-L620 HydrophobicContact CD2-CD1 3.67Å; L616-L620 HydrophobicContact CD2-CG 4.12Å; L616-L620 WeakPolarHBondContact O-CB 3.35Å; L616-L620 WeakPolarHBondContact O-CG 3.26Å; L616-L620 PolarHBondContact O-N 3.38Å; I617-L620 PolarHBondContact O-N 2.97Å; L620-I622 VanDerWaalsContact C-N 3.35Å; L620-I622 PolarHBondContact O-N 3.27Å; L620-I623 PolarHBondContact O-N 3.43Å; L620-F624 HydrophobicContact CB-CE2 4.49Å; L620-F624 WeakPolarHBondContact O-CD2 3.37Å; L620-F624 PolarHBondContact O-N 2.97Å
621	M	80.9	Confident	77.5	Confident	112 Å²	112	92.1 Å²	92.1	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-41.8	175.8	-71.7	-66.2	-73	0	0	111.9	I617 F618 V619 I623 F624 C625	I617-M621 WeakPolarHBondContact O-CG 3.37Å; I617-M621 PolarHBondContact O-N 3.23Å; F618-M621 PolarHBondContact O-N 3.03Å; V619-M621 PolarHBondContact O-N 2.84Å; M621-I623 PolarHBondContact O-N 3.43Å; M621-F624 PolarHBondContact O-N 3.32Å; M621-C625 WeakPolarHBondContact O-CB 3.42Å; M621-C625 PolarHBondContact O-N 3.39Å; M621-C625 PolarHBondContact O-SG 3.01Å; M621-C625 VanDerWaalsContact O-SG 3.35Å
622	I	80.9	Confident	78	Confident	90 Å²	90	93.6 Å²	93.6	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-40.7	174.4	-69.5	168.7	0	0	0	111.6	F618 V619 L620 C625 S626	F618-I622 HydrophobicContact CD1-CD1 3.86Å; F618-I622 HydrophobicContact CE1-CD1 3.55Å; F618-I622 HydrophobicContact CZ-CD1 4.02Å; F618-I622 WeakPolarHBondContact O-CG1 3.28Å; F618-I622 PolarHBondContact O-N 2.94Å; V619-I622 PolarHBondContact O-N 3.46Å; L620-I622 VanDerWaalsContact C-N 3.35Å; L620-I622 PolarHBondContact O-N 3.27Å; I622-C625 PolarHBondContact O-N 2.91Å; I622-S626 WeakPolarHBondContact O-CB 2.97Å; I622-S626 PolarHBondContact O-N 2.87Å; I622-S626 PolarHBondContact O-OG 2.78Å
623	I	81.6	Confident	78	Confident	91 Å²	91	92.3 Å²	92.3	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-63	-43.8	174.7	-68.2	166	0	0	0	111.2	V619 L620 M621 S626 A627	V619-I623 HydrophobicContact CG1-CD1 3.9Å; V619-I623 VanDerWaalsContact O-CG1 3.32Å; V619-I623 WeakPolarHBondContact O-CG1 3.47Å; V619-I623 PolarHBondContact O-N 3.16Å; L620-I623 PolarHBondContact O-N 3.43Å; M621-I623 PolarHBondContact O-N 3.43Å; I623-S626 WeakPolarHBondContact CA-OG 3.45Å; I623-S626 PolarHBondContact O-OG 2.63Å; I623-A627 VanDerWaalsContact O-CB 3.3Å; I623-A627 WeakPolarHBondContact O-CB 3Å; I623-A627 PolarHBondContact O-N 3.45Å
624	F	79.4	Confident	78	Confident	145 Å²	145	90.3 Å²	90.3	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-68.8	-39.3	176.7	-74.8	-63.1	0	0	0	113	L620 M621 A627 G628	L620-F624 HydrophobicContact CB-CE2 4.49Å; L620-F624 WeakPolarHBondContact O-CD2 3.37Å; L620-F624 PolarHBondContact O-N 2.97Å; M621-F624 PolarHBondContact O-N 3.32Å; F624-A627 PolarHBondContact O-N 2.72Å; F624-G628 PolarHBondContact O-N 3.29Å
625	C	74.6	Confident	78.1	Confident	80 Å²	80	92.2 Å²	92.2	54%	0.541	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.1	-73.9	0	0	0	0	112.1	M621 I622 G628 L629	M621-C625 WeakPolarHBondContact O-CB 3.42Å; M621-C625 PolarHBondContact O-N 3.39Å; M621-C625 PolarHBondContact O-SG 3.01Å; M621-C625 VanDerWaalsContact O-SG 3.35Å; I622-C625 PolarHBondContact O-N 2.91Å; C625-G628 PolarHBondContact O-N 3.07Å; C625-L629 WeakPolarHBondContact O-CG 3.48Å; C625-L629 PolarHBondContact O-N 2.96Å
626	S	74.5	Confident	77.6	Confident	60 Å²	60	90.8 Å²	90.8	42%	0.42	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-41.8	176.6	55.7	0	0	0	0	112.4	I622 I623 G628 L629 V630	I622-S626 WeakPolarHBondContact O-CB 2.97Å; I622-S626 PolarHBondContact O-N 2.87Å; I622-S626 PolarHBondContact O-OG 2.78Å; I623-S626 WeakPolarHBondContact CA-OG 3.45Å; I623-S626 PolarHBondContact O-OG 2.63Å; S626-G628 VanDerWaalsContact C-N 3.34Å; S626-G628 PolarHBondContact O-N 3.46Å; S626-L629 PolarHBondContact O-N 2.85Å; S626-V630 WeakPolarHBondContact O-CG2 3.26Å; S626-V630 PolarHBondContact O-N 2.92Å
627	A	76.8	Confident	76.8	Confident	48 Å²	48	95.3 Å²	95.3	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-42.1	172.2	0	0	0	0	0	112	I623 F624 L629 V630 V631	I623-A627 VanDerWaalsContact O-CB 3.3Å; I623-A627 WeakPolarHBondContact O-CB 3Å; I623-A627 PolarHBondContact O-N 3.45Å; F624-A627 PolarHBondContact O-N 2.72Å; A627-L629 PolarHBondContact O-N 3.35Å; A627-V630 PolarHBondContact O-N 2.9Å; A627-V631 WeakPolarHBondContact O-CG2 3.46Å; A627-V631 PolarHBondContact O-N 2.69Å
628	G	81.6	Confident	75.9	Confident	40 Å²	40	99.7 Å²	99.7	41%	0.412	51%	0.509	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174.1	0	0	0	0	0	112.8	F624 C625 S626 V631 F632	F624-G628 PolarHBondContact O-N 3.29Å; C625-G628 PolarHBondContact O-N 3.07Å; S626-G628 VanDerWaalsContact C-N 3.34Å; S626-G628 PolarHBondContact O-N 3.46Å; G628-V631 PolarHBondContact O-N 2.66Å; G628-F632 WeakPolarHBondContact O-CB 3.31Å; G628-F632 PolarHBondContact O-N 3.29Å
629	L	75.3	Confident	75	Confident	114 Å²	114	102 Å²	102	60%	0.597	51%	0.514	S	S	*	.	H	α-helix	trans	-62.9	-41.5	174.1	-75.7	168.6	0	0	0	112.4	C625 S626 A627 F632 V633	C625-L629 WeakPolarHBondContact O-CG 3.48Å; C625-L629 PolarHBondContact O-N 2.96Å; S626-L629 PolarHBondContact O-N 2.85Å; A627-L629 PolarHBondContact O-N 3.35Å; L629-F632 PolarHBondContact O-N 3.12Å; L629-V633 WeakPolarHBondContact O-CB 3.46Å; L629-V633 VanDerWaalsContact O-CG2 3.31Å; L629-V633 WeakPolarHBondContact O-CG2 3.45Å; L629-V633 PolarHBondContact O-N 2.99Å
630	V	75.3	Confident	73.9	Confident	94 Å²	94	106.4 Å²	106.4	57%	0.57	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-45	175.4	172	0	0	0	0	111.1	S626 A627 F632 V633 V634	S626-V630 WeakPolarHBondContact O-CG2 3.26Å; S626-V630 PolarHBondContact O-N 2.92Å; A627-V630 PolarHBondContact O-N 2.9Å; V630-F632 PolarHBondContact O-N 3.48Å; V630-V633 PolarHBondContact O-N 2.87Å; V630-V634 WeakPolarHBondContact O-CG2 3.18Å; V630-V634 PolarHBondContact O-N 3.32Å
631	V	79	Confident	72.7	Confident	99 Å²	99	105.9 Å²	105.9	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-61.7	-43.7	175.4	172	0	0	0	0	111	A627 G628 V634 H635	A627-V631 WeakPolarHBondContact O-CG2 3.46Å; A627-V631 PolarHBondContact O-N 2.69Å; G628-V631 PolarHBondContact O-N 2.66Å; V631-V634 PolarHBondContact O-N 2.68Å; V631-H635 WeakPolarHBondContact O-CB 3.33Å; V631-H635 PolarHBondContact O-N 3.36Å
632	F	75.3	Confident	71.4	Confident	130 Å²	130	108.8 Å²	108.8	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-61.2	-44.1	175.8	-179.3	-101.3	0	0	0	112.1	G628 L629 V630 H635 R636	G628-F632 WeakPolarHBondContact O-CB 3.31Å; G628-F632 PolarHBondContact O-N 3.29Å; L629-F632 PolarHBondContact O-N 3.12Å; V630-F632 PolarHBondContact O-N 3.48Å; F632-H635 CarbonylContact O-C 3.42Å; F632-H635 PolarHBondContact O-N 2.95Å; F632-R636 WeakPolarHBondContact O-CB 3.35Å; F632-R636 PolarHBondContact O-N 2.68Å
633	V	75.7	Confident	70	Confident	69 Å²	69	111.1 Å²	111.1	42%	0.418	55%	0.548	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176.6	169	0	0	0	0	111.5	L629 V630 H635 R636 R637	L629-V633 WeakPolarHBondContact O-CB 3.46Å; L629-V633 VanDerWaalsContact O-CG2 3.31Å; L629-V633 WeakPolarHBondContact O-CG2 3.45Å; L629-V633 PolarHBondContact O-N 2.99Å; V630-V633 PolarHBondContact O-N 2.87Å; V633-H635 VanDerWaalsContact C-N 3.31Å; V633-H635 PolarHBondContact O-N 2.77Å; V633-R636 PolarHBondContact O-N 2.72Å; V633-R637 WeakPolarHBondContact O-CB 3.23Å; V633-R637 WeakPolarHBondContact O-CG 3.15Å; V633-R637 PolarHBondContact O-N 3.16Å
634	V	73.1	Confident	68.4	Low	71 Å²	71	115.7 Å²	115.7	43%	0.43	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-39	174.1	170.5	0	0	0	0	111	V630 V631 R637 R638	V630-V634 WeakPolarHBondContact O-CG2 3.18Å; V630-V634 PolarHBondContact O-N 3.32Å; V631-V634 PolarHBondContact O-N 2.68Å; V634-R637 PolarHBondContact O-N 2.02Å; V634-R638 WeakPolarHBondContact O-CG 3.4Å; V634-R638 WeakPolarHBondContact O-CB 3.09Å; V634-R638 PolarHBondContact O-N 3.11Å
635	H	74	Confident	66.8	Low	101 Å²	101	112.9 Å²	112.9	47%	0.468	57%	0.568	S	S	.	*	H	α-helix	trans	-72.4	-36.3	177	-158.8	-47.4	0	0	0	112.7	V631 F632 V633 R638 R639	V631-H635 WeakPolarHBondContact O-CB 3.33Å; V631-H635 PolarHBondContact O-N 3.36Å; F632-H635 CarbonylContact O-C 3.42Å; F632-H635 PolarHBondContact O-N 2.95Å; V633-H635 VanDerWaalsContact C-N 3.31Å; V633-H635 PolarHBondContact O-N 2.77Å; H635-R638 PolarHBondContact O-N 2.79Å; H635-R639 PolarHBondContact O-N 3.4Å
636	R	68.1	Low	65.5	Low	108 Å²	108	113 Å²	113	41%	0.408	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-39.5	172.7	-161.9	174.1	-172.2	-158.9	-2.8	110.1	F632 V633 R640 N854	F632-R636 WeakPolarHBondContact O-CB 3.35Å; F632-R636 PolarHBondContact O-N 2.68Å; V633-R636 PolarHBondContact O-N 2.72Å; R636-R640 WeakPolarHBondContact O-CB 3.05Å; R636-R640 WeakPolarHBondContact O-CG 3.31Å; R636-R640 PolarHBondContact O-N 2.71Å; R636-N854 PolarHBondContact NH2-OXT 3.46Å
637	R	64.4	Low	64.2	Low	188 Å²	188	117 Å²	117	71%	0.709	59%	0.586	S	S	*	*	H	α-helix	trans	-65.1	-47.3	171.6	-74.4	-178.8	179.9	-160.7	0.4	112.5	V633 V634 R639 R640 A641	V633-R637 WeakPolarHBondContact O-CB 3.23Å; V633-R637 WeakPolarHBondContact O-CG 3.15Å; V633-R637 PolarHBondContact O-N 3.16Å; V634-R637 PolarHBondContact O-N 2.02Å; R637-R639 VanDerWaalsContact C-N 3.35Å; R637-R639 PolarHBondContact O-N 3.14Å; R637-R640 PolarHBondContact O-N 3.28Å; R637-A641 WeakPolarHBondContact O-CB 3.41Å; R637-A641 PolarHBondContact O-N 3.2Å
638	R	63.9	Low	62.2	Low	188 Å²	188	123.2 Å²	123.2	71%	0.709	61%	0.607	S	S	*	*	H	α-helix	trans	-61.1	-38.1	175.4	-79.5	-177.4	171.8	-177.6	-1.8	112.8	V634 H635 K642	V634-R638 WeakPolarHBondContact O-CG 3.4Å; V634-R638 WeakPolarHBondContact O-CB 3.09Å; V634-R638 PolarHBondContact O-N 3.11Å; H635-R638 PolarHBondContact O-N 2.79Å; R638-K642 PolarHBondContact O-N 3.33Å
639	R	61.5	Low	60.2	Low	181 Å²	181	127.5 Å²	127.5	68%	0.683	63%	0.627	S	S	*	*	H	α-helix	trans	-67.8	-43.1	172.5	-80.8	-173.2	174.2	177.7	1.7	112.5	H635 R637 A641 K642 K643	H635-R639 PolarHBondContact O-N 3.4Å; R637-R639 VanDerWaalsContact C-N 3.35Å; R637-R639 PolarHBondContact O-N 3.14Å; R639-A641 VanDerWaalsContact C-N 3.34Å; R639-A641 PolarHBondContact O-N 2.93Å; R639-K642 PolarHBondContact O-N 3.48Å; R639-K643 PolarHBondContact O-N 3.48Å
640	R	55.9	Low	58.2	Low	149 Å²	149	127.1 Å²	127.1	56%	0.562	64%	0.641	S	S	*	*	H	α-helix	trans	-61.9	-38.7	174.8	-77.8	-178.6	172	175.5	-1.4	112.2	R636 R637 K643 K644	R636-R640 WeakPolarHBondContact O-CB 3.05Å; R636-R640 WeakPolarHBondContact O-CG 3.31Å; R636-R640 PolarHBondContact O-N 2.71Å; R637-R640 PolarHBondContact O-N 3.28Å; R640-K643 PolarHBondContact O-N 2.92Å; R640-K644 PolarHBondContact O-N 3Å; R640-K644 VanDerWaalsContact O-N 3.14Å
641	A	55	Low	56.1	Low	66 Å²	66	134.1 Å²	134.1	55%	0.545	66%	0.657	S	S	.	*	H	α-helix	trans	-63.6	-45.4	173.3	0	0	0	0	0	112.5	R637 R639 K643 K644 A645	R637-A641 WeakPolarHBondContact O-CB 3.41Å; R637-A641 PolarHBondContact O-N 3.2Å; R639-A641 VanDerWaalsContact C-N 3.34Å; R639-A641 PolarHBondContact O-N 2.93Å; A641-K643 VanDerWaalsContact C-N 3.32Å; A641-K643 PolarHBondContact O-N 2.99Å; A641-K644 PolarHBondContact O-N 3.07Å; A641-A645 PolarHBondContact O-N 3.49Å
642	K	53.6	Low	53.9	Low	173 Å²	173	137.3 Å²	137.3	75%	0.752	67%	0.666	S	S	*	*	H	α-helix	trans	-64	-33.2	174.5	-77.7	-162.3	172.3	-164.8	0	113.3	R638 R639 A645	R638-K642 PolarHBondContact O-N 3.33Å; R639-K642 PolarHBondContact O-N 3.48Å; K642-A645 PolarHBondContact O-N 3.29Å
643	K	51.8	Low	51.7	Low	139 Å²	139	137.4 Å²	137.4	60%	0.604	67%	0.672	S	S	*	*	H	α-helix	trans	-70.2	-38.5	177.7	-140.2	-168.5	-178	-132	0	112.3	R639 R640 A641 A645 A646 E647	R639-K643 PolarHBondContact O-N 3.48Å; R640-K643 PolarHBondContact O-N 2.92Å; A641-K643 VanDerWaalsContact C-N 3.32Å; A641-K643 PolarHBondContact O-N 2.99Å; K643-A645 PolarHBondContact O-N 2.91Å; K643-A646 PolarHBondContact O-N 3.28Å; K643-A646 VanDerWaalsContact O-N 3.16Å; K643-E647 IonicContact NZ-OE1 2.8Å
644	K	47.5	Very low	49.5	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-9	173.1	-88.7	-156.6	168.5	-159.9	0	115.1	R640 A641	R640-K644 PolarHBondContact O-N 3Å; R640-K644 VanDerWaalsContact O-N 3.14Å; A641-K644 PolarHBondContact O-N 3.07Å
645	A	45.6	Very low	47.3	Very low	87 Å²	87	141 Å²	141	72%	0.719	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	13.4	174.1	0	0	0	0	0	113	A641 K642 K643	A641-A645 PolarHBondContact O-N 3.49Å; K642-A645 PolarHBondContact O-N 3.29Å; K643-A645 PolarHBondContact O-N 2.91Å
646	A	48	Very low	45.1	Very low	81 Å²	81	142.3 Å²	142.3	67%	0.669	71%	0.714	S	S	*	*	S	Bend	trans	-122.9	6.2	-178.8	0	0	0	0	0	113.5	K643	K643-A646 PolarHBondContact O-N 3.28Å; K643-A646 VanDerWaalsContact O-N 3.16Å
647	E	46.8	Very low	43.3	Very low	146 Å²	146	143.6 Å²	143.6	68%	0.682	73%	0.734	S	S	*	*	S	Bend	trans	-129.6	55.3	-175.9	-71.3	171.1	167.8	0	0	110	K643	K643-E647 IonicContact NZ-OE1 2.8Å
648	E	35.3	Very low	41.7	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	74%	0.736	S	S	*	*			trans	-144.4	127.4	171.2	-163.7	165.6	-131.3	0	0	110
649	P	39.8	Very low	40.8	Very low	129 Å²	129	136.5 Å²	136.5	84%	0.838	74%	0.739	S	S	*	*			trans	-87.9	115.5	-169.3	32.3	-33.6	0	0	0	113.1
650	A	32.8	Very low	39.4	Very low	107 Å²	107	134.4 Å²	134.4	88%	0.884	74%	0.74	S	S	*	*			trans	-79.9	135	176.1	0	0	0	0	0	112.6
651	R	30.2	Very low	38.1	Very low	241 Å²	241	135.2 Å²	135.2	91%	0.909	75%	0.75	S	S	*	*			trans	-106.9	151.9	173.8	-160.5	172.6	-175	166.1	0.4	109.3
652	E	34	Very low	36.9	Very low	166 Å²	166	139 Å²	139	78%	0.776	76%	0.76	S	S	*	*			trans	-64.3	141.9	-170	-55.3	164.4	119	0	0	113.9
653	N	29.7	Very low	35.6	Very low	131 Å²	131	138.3 Å²	138.3	70%	0.701	76%	0.759	S	S	*	*				176	143.2	99.9	-94.7	-66.4	0	0	0	116
654	T	28.8	Very low	34.5	Very low	116 Å²	116	141.5 Å²	141.5	71%	0.712	77%	0.769	S	S	*	*			trans	44.2	124.8	149.1	57.2	0	0	0	0	124
655	S	27.5	Very low	33.9	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	76%	0.764	S	S	*	*				99.2	122.5	124.9	68.8	0	0	0	0	123.5
656	T	27.9	Very low	33.1	Very low	127 Å²	127	141 Å²	141	78%	0.779	77%	0.768	S	S	*	*			trans	82.3	138.7	141.1	43.2	0	0	0	0	124.2
657	T	29.1	Very low	32.4	Very low	136 Å²	136	147.2 Å²	147.2	83%	0.834	78%	0.775	S	S	*	*			trans	70.1	89	154.5	40.3	0	0	0	0	121.9
658	S	31.3	Very low	31.5	Very low	108 Å²	108	143.3 Å²	143.3	76%	0.755	77%	0.774	S	S	*	*			trans	-68.6	-178.8	133.5	-20.3	0	0	0	0	110.6
659	P	43.9	Very low	31.5	Very low	119 Å²	119	142 Å²	142	77%	0.773	77%	0.768	S	S	*	*			cis	-125.2	-146.4	35.8	21.8	6	0	0	0	113
660	I	33.2	Very low	31.1	Very low	136 Å²	136	143.1 Å²	143.1	70%	0.697	76%	0.76	S	S	*	*			cis	-152.1	123.8	19.3	-71.7	173.2	0	0	0	112.2
661	H	28	Very low	31	Very low	166 Å²	166	143.3 Å²	143.3	77%	0.769	75%	0.75	S	S	*	*			trans	55.1	170.5	148.4	-73.6	-124.9	0	0	0	120.7
662	L	29.4	Very low	31	Very low	146 Å²	146	136.9 Å²	136.9	76%	0.764	74%	0.737	S	S	*	*			cis	-133.9	-166.6	5.2	-139.9	132	0	0	0	112.6
663	H	27.9	Very low	30.9	Very low	158 Å²	158	136.1 Å²	136.1	73%	0.731	73%	0.734	S	S	*	*			trans	-135	-168.1	-147.4	-163.2	-103.3	0	0	0	114.2
664	Y	28.7	Very low	30.9	Very low	207 Å²	207	138.4 Å²	138.4	81%	0.812	74%	0.74	S	S	*	*			trans	87.2	131	-178.2	-64.8	-86.8	0	0	0	114.8
665	S	34.5	Very low	30.9	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	74%	0.741	S	S	*	*			cis	-151.8	-175.8	1.6	64.1	0	0	0	0	109.7
666	M	27.8	Very low	31	Very low	163 Å²	163	140.6 Å²	140.6	80%	0.803	75%	0.749	S	S	*	*			cis	-145.5	-114.8	9.2	-161.7	-152.3	-61.5	0	0	113
667	Y	33.4	Very low	31.1	Very low	212 Å²	212	139.9 Å²	139.9	83%	0.831	74%	0.744	S	S	*	*			trans	-145.2	160.4	-168.5	-88.1	-111.6	0	0	0	110.2
668	G	29.2	Very low	31.1	Very low	64 Å²	64	141 Å²	141	66%	0.66	74%	0.74	S	S	*	*			cis	155.3	172.5	-7.8	0	0	0	0	0	114.1
669	Q	33.8	Very low	30.9	Very low	150 Å²	150	146 Å²	146	70%	0.701	74%	0.743	S	S	*	*			trans	73	144.3	173.7	-63.6	-168.6	8.3	0	0	116.8
670	K	31.2	Very low	30.2	Very low	153 Å²	153	146.8 Å²	146.8	67%	0.665	75%	0.745	S	S	*	*			cis	-150.9	124.3	3.4	-121.2	159	178.1	152.5	0	109.4
671	T	32.4	Very low	29.8	Very low	110 Å²	110	143.8 Å²	143.8	68%	0.675	75%	0.748	S	S	*	*				68.5	144.5	106.3	62	0	0	0	0	116.3
672	T	30.2	Very low	30.8	Very low	106 Å²	106	142.5 Å²	142.5	65%	0.65	75%	0.754	S	S	*	*			cis	-154.5	132.8	13.7	0.3	0	0	0	0	107.3
673	H	31.6	Very low	30.8	Very low	151 Å²	151	139 Å²	139	70%	0.699	75%	0.753	S	S	*	*				49	138.3	97.7	-56.5	-69.8	0	0	0	115.1
674	H	30.2	Very low	30.9	Very low	178 Å²	178	136.5 Å²	136.5	82%	0.824	75%	0.753	S	S	*	*			cis	-138.3	157.4	41.3	-79.4	-100.1	0	0	0	117
675	T	28	Very low	30.9	Very low	120 Å²	120	133.5 Å²	133.5	74%	0.736	75%	0.751	S	S	*	*			trans	-101.3	153.7	163.7	50.4	0	0	0	0	110.9
676	V	29.2	Very low	30.7	Very low	144 Å²	144	137.6 Å²	137.6	87%	0.873	75%	0.752	S	S	*	*			trans	-164.7	169.9	142.3	129.7	0	0	0	0	111.2
677	T	29.7	Very low	30.6	Very low	112 Å²	112	137.9 Å²	137.9	69%	0.687	75%	0.752	S	S	*	*			trans	-103.1	150.5	-147.7	49.9	0	0	0	0	118.6
678	Q	29	Very low	30.2	Very low	160 Å²	160	132.7 Å²	132.7	75%	0.748	74%	0.738	S	S	*	*			trans	72.7	131.5	136.9	-78.5	-174.1	18.4	0	0	123.9
679	R	27.2	Very low	30	Very low	213 Å²	213	139.3 Å²	139.3	80%	0.804	74%	0.743	S	S	*	*			trans	84	143.4	137.4	-83.3	-179.9	166.8	177.5	-3.4	121.6
680	T	28.7	Very low	29.6	Very low	135 Å²	135	136.8 Å²	136.8	83%	0.828	74%	0.742	S	S	*	*			trans	58.6	120.1	159.8	44.7	0	0	0	0	119.4
681	G	26.8	Very low	29.5	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	75%	0.749	S	S	*	*			trans	-97.8	-157.2	151.3	0	0	0	0	0	110.6
682	P	48	Very low	29.3	Very low	139 Å²	139	137.6 Å²	137.6	90%	0.903	75%	0.752	S	S	*	*			cis	-125.8	174.9	0.8	41.7	-28.2	0	0	0	114.4
683	G	29.5	Very low	29.9	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	76%	0.756	S	S	*	*			trans	129.7	127.9	148.7	0	0	0	0	0	119.4
684	S	29.7	Very low	29.8	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	76%	0.76	S	S	*	*			trans	64	103.3	131.6	-163.6	0	0	0	0	123
685	L	28.8	Very low	29.9	Very low	144 Å²	144	135.4 Å²	135.4	75%	0.754	76%	0.756	S	S	*	*				67.3	135.3	127.1	-65.9	175.6	0	0	0	123.9
686	Y	29.7	Very low	30	Very low	185 Å²	185	136.7 Å²	136.7	73%	0.725	75%	0.753	S	S	*	*			trans	69.4	122.1	149.4	-83.4	-70.3	0	0	0	122.8
687	E	27.3	Very low	30.1	Very low	170 Å²	170	136.2 Å²	136.2	79%	0.794	75%	0.745	S	S	*	*			trans	53.1	152.5	134.5	-82.3	172.2	177.5	0	0	122.2
688	D	24.4	Very low	29.9	Very low	103 Å²	103	135.2 Å²	135.2	55%	0.551	74%	0.741	S	S	*	*			cis	-156.3	168.8	-14.8	-172.7	21	0	0	0	108.9
689	R	24.6	Very low	30.3	Very low	203 Å²	203	138.1 Å²	138.1	77%	0.766	75%	0.745	S	S	*	*			trans	35.9	132.3	149.1	-90.5	177.9	-167.8	112.5	-5.8	120.4
690	S	25.7	Very low	30.3	Very low	96 Å²	96	134.5 Å²	134.5	67%	0.671	74%	0.742	S	S	*	*				173.6	173	58	41.3	0	0	0	0	115.3
691	H	28.7	Very low	31	Very low	177 Å²	177	133 Å²	133	82%	0.819	73%	0.734	S	S	*	*			trans	81.9	97.6	149.5	-76.4	-59.5	0	0	0	122.8
692	S	27.5	Very low	31.1	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	73%	0.733	S	S	*	*			trans	-68.1	174.8	135.3	-27.2	0	0	0	0	111.4
693	P	43.9	Very low	30.2	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	73%	0.73	S	S	*	*				-152.9	-175.9	108.1	41.8	-25.8	0	0	0	116.4
694	I	29.7	Very low	30	Very low	155 Å²	155	140.9 Å²	140.9	80%	0.795	73%	0.733	S	S	*	*			trans	74.9	120.5	162.8	-70	165.7	0	0	0	115
695	V	30.9	Very low	29.8	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	73%	0.733	S	S	*	*			cis	-165.8	-179.3	-0.4	74	0	0	0	0	107.4
696	Q	30.2	Very low	29.8	Very low	147 Å²	147	141.6 Å²	141.6	69%	0.687	73%	0.732	S	S	*	*			cis	-161.7	169.3	26.6	-131.2	-171.5	61.3	0	0	114.1
697	I	31.5	Very low	29.8	Very low	134 Å²	134	140.7 Å²	140.7	69%	0.687	73%	0.734	S	S	*	*			trans	20.2	134.4	137.7	-75	172.5	0	0	0	120
698	C	25.4	Very low	29.7	Very low	92 Å²	92	142.3 Å²	142.3	62%	0.622	74%	0.738	S	S	*	*			cis	-154.2	135.1	-0.4	-113.1	0	0	0	0	109.7
699	R	37.2	Very low	29.8	Very low	220 Å²	220	140.8 Å²	140.8	83%	0.83	75%	0.748	S	S	*	*				68.7	139.2	81.7	-75.2	-174.1	171	-179.6	-1.8	115.5
700	N	27.3	Very low	29.9	Very low	137 Å²	137	139.3 Å²	139.3	73%	0.733	75%	0.749	S	S	*	*			cis	-163.9	178.4	-1.7	-132.6	23.5	0	0	0	108.6
701	P	43.5	Very low	29.9	Very low	103 Å²	103	140.6 Å²	140.6	67%	0.669	75%	0.748	S	S	*	*			cis	-112.4	-135	-3.7	23.2	2	0	0	0	112.7
702	T	29.7	Very low	29.9	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	74%	0.741	S	S	*	*			cis	-162.2	175.9	13	-26.6	0	0	0	0	113.9
703	Y	29.2	Very low	29.8	Very low	216 Å²	216	138.8 Å²	138.8	85%	0.847	74%	0.744	S	S	*	*			trans	-49	153.8	169.1	-70.6	-70.9	0	0	0	116
704	C	24.5	Very low	29.2	Very low	117 Å²	117	141.2 Å²	141.2	79%	0.791	75%	0.75	S	S	*	*			cis	-165.5	-167.7	-7.8	-139.8	0	0	0	0	108
705	S	27	Very low	29.1	Very low	105 Å²	105	139.6 Å²	139.6	73%	0.734	74%	0.743	S	S	*	*			cis	-148	-124.9	-0.1	57.4	0	0	0	0	112.4
706	Q	27.5	Very low	28.9	Very low	158 Å²	158	143.4 Å²	143.4	74%	0.738	75%	0.746	S	S	*	*			trans	-158.9	166.5	-171.6	-69.9	-171.2	-7.2	0	0	113.5
707	H	29.2	Very low	28.8	Very low	166 Å²	166	140.6 Å²	140.6	77%	0.769	74%	0.742	S	S	*	*			trans	110.3	135.4	159.9	-59.2	-51.9	0	0	0	116.2
708	K	26.6	Very low	28.7	Very low	204 Å²	204	141.1 Å²	141.1	89%	0.887	75%	0.746	S	S	*	*			cis	108.6	126.2	11.2	-169.1	-174.2	-175.9	-170.9	0	113.4
709	G	25.8	Very low	28.8	Very low	72 Å²	72	143.2 Å²	143.2	74%	0.742	75%	0.751	S	S	*	*			trans	105.7	125.1	-170.9	0	0	0	0	0	110.2
710	H	26.7	Very low	28.3	Very low	171 Å²	171	139.9 Å²	139.9	79%	0.792	75%	0.749	S	S	*	*			cis	96.7	142.1	14.9	-145.3	49	0	0	0	115.7
711	D	25.8	Very low	29.2	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	74%	0.739	S	S	*	*			trans	80.2	138.1	167	-57.6	-45.8	0	0	0	124.1
712	S	28.7	Very low	28.3	Very low	96 Å²	96	140.8 Å²	140.8	67%	0.671	74%	0.744	S	S	*	*			trans	61.9	109.2	144.6	64.9	0	0	0	0	123.4
713	D	26	Very low	28.2	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	75%	0.747	S	S	*	*				55.3	151.3	105.8	-51.9	-30.7	0	0	0	124
714	L	31.9	Very low	28	Very low	163 Å²	163	140.9 Å²	140.9	85%	0.853	74%	0.744	S	S	*	*			trans	72.1	125.6	169.2	-58.8	128.9	0	0	0	115.7
715	D	25.6	Very low	28	Very low	122 Å²	122	141.6 Å²	141.6	65%	0.652	74%	0.744	S	S	*	*			cis	93.5	133.8	28.3	-164	25.5	0	0	0	114.3
716	Y	28.5	Very low	27.9	Very low	200 Å²	200	141.4 Å²	141.4	78%	0.784	74%	0.742	S	S	*	*			trans	58.8	149.1	-170.7	-69	-96.8	0	0	0	116.7
717	S	27.1	Very low	27.7	Very low	89 Å²	89	145.1 Å²	145.1	62%	0.622	75%	0.749	S	S	*	*			cis	-171	160.5	-27.5	-114.7	0	0	0	0	111.6
718	L	29.6	Very low	27.6	Very low	144 Å²	144	142.5 Å²	142.5	75%	0.754	75%	0.75	S	S	*	*			trans	68.3	145.1	149.7	-68.9	163.5	0	0	0	122.5
719	D	27.5	Very low	27.6	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	74%	0.741	S	S	*	*			trans	61.5	90.9	148	-54.3	-16	0	0	0	122.7
720	D	26.5	Very low	27.5	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	74%	0.743	S	S	*	*				26.8	153	99	-138.8	45.4	0	0	0	119.7
721	P	46.4	Very low	27.7	Very low	81 Å²	81	142 Å²	142	53%	0.526	74%	0.736	S	S	.	*			cis	-138.5	-167.8	-20.7	30.7	-7.8	0	0	0	115.6
722	K	25.2	Very low	28	Very low	178 Å²	178	142.2 Å²	142.2	77%	0.774	73%	0.731	S	S	*	*			trans	77	112.7	153.9	-67.7	159.5	-171.5	165.1	0	119.8
723	H	27.6	Very low	28	Very low	167 Å²	167	144.6 Å²	144.6	77%	0.773	73%	0.732	S	S	*	*				155.7	123.4	123.7	-92	-83.3	0	0	0	108.1
724	H	24.6	Very low	28.2	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.787	73%	0.731	S	S	*	*				60.8	135.9	50.6	-78.8	-39.8	0	0	0	115.4
725	V	25.5	Very low	28.1	Very low	131 Å²	131	142.9 Å²	142.9	79%	0.794	73%	0.728	S	S	*	*			trans	75.3	134.2	173.5	-168.4	0	0	0	0	112.7
726	C	23.1	Very low	28.3	Very low	102 Å²	102	142.3 Å²	142.3	69%	0.689	73%	0.734	S	S	*	*			cis	-143	152.2	-7.3	-113.6	0	0	0	0	107
727	R	24.6	Very low	28.9	Very low	236 Å²	236	137.9 Å²	137.9	89%	0.891	73%	0.73	S	S	*	*				63	100.9	58.9	-162.4	-166.7	-168.2	-178.5	4.8	114.2
728	S	26.6	Very low	29.1	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	74%	0.738	S	S	*	*			trans	-166.8	144.5	170.4	-163.7	0	0	0	0	108
729	I	26.8	Very low	29	Very low	137 Å²	137	140.2 Å²	140.2	70%	0.703	74%	0.74	S	S	*	*			cis	-170.6	143.3	-30.9	-109.7	155.7	0	0	0	105.3
730	M	24.4	Very low	29	Very low	159 Å²	159	137.5 Å²	137.5	78%	0.783	74%	0.744	S	S	*	*			trans	38.2	131.5	157.7	-61.8	171.7	63.9	0	0	119.8
731	E	30.8	Very low	28.9	Very low	139 Å²	139	137.9 Å²	137.9	65%	0.65	75%	0.746	S	S	*	*			cis	-160.6	169.5	43.6	-87.2	-145.7	141.8	0	0	108.3
732	K	31.8	Very low	29.3	Very low	130 Å²	130	138.3 Å²	138.3	57%	0.565	75%	0.749	S	S	*	*			cis	176.7	-149.9	-6.1	173.4	162.3	164	-172.5	0	110.9
733	E	28.7	Very low	29.4	Very low	145 Å²	145	138.5 Å²	138.5	68%	0.678	75%	0.75	S	S	*	*			trans	-36	145.2	172.6	-66.7	132.5	-152.4	0	0	115.9
734	N	29.9	Very low	29.3	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	75%	0.754	S	S	*	*	S	Bend	cis	-140.9	153.8	21.8	-71.6	-77.6	0	0	0	110.8
735	T	29.2	Very low	29.2	Very low	131 Å²	131	143.8 Å²	143.8	80%	0.804	76%	0.762	S	S	*	*			cis	-148.8	151.5	-5.5	5.7	0	0	0	0	111
736	S	30.5	Very low	29.3	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	76%	0.758	S	S	*	*			trans	-54.4	169.3	-179.5	-54.9	0	0	0	0	116.6
737	P	40.9	Very low	29.3	Very low	107 Å²	107	144.9 Å²	144.9	70%	0.695	77%	0.767	S	S	*	*			cis	-139.4	153.9	17.8	28.6	-4.4	0	0	0	120.4
738	L	30.4	Very low	29.3	Very low	151 Å²	151	137 Å²	137	79%	0.791	75%	0.752	S	S	*	*			trans	58.4	108.3	141.7	-58.3	169.5	0	0	0	118.9
739	T	28.3	Very low	29.2	Very low	131 Å²	131	139.9 Å²	139.9	80%	0.804	75%	0.753	S	S	*	*				60.8	138	75.8	67.8	0	0	0	0	115.7
740	G	26.3	Very low	29.1	Very low	79 Å²	79	142 Å²	142	81%	0.814	76%	0.76	S	S	*	*			cis	-177.9	-166.6	6.3	0	0	0	0	0	115
741	N	25.8	Very low	29.3	Very low	158 Å²	158	145.5 Å²	145.5	85%	0.845	76%	0.764	S	S	*	*			trans	-110.2	-173.7	-172.1	-128.9	3.4	0	0	0	109.5
742	P	54.1	Low	29.8	Very low	91 Å²	91	144.2 Å²	144.2	59%	0.591	77%	0.768	S	S	*	*				-136.8	-167.5	-51.3	34.4	-13.9	0	0	0	114.1
743	K	26.7	Very low	29.7	Very low	181 Å²	181	141.2 Å²	141.2	79%	0.787	77%	0.774	S	S	*	*			trans	83.5	130.4	151.2	-70.3	177.8	-179.9	-177.4	0	121.9
744	F	26.7	Very low	29.7	Very low	197 Å²	197	139.4 Å²	139.4	86%	0.864	77%	0.769	S	S	*	*			trans	25.6	120.9	140.1	-68	-97.5	0	0	0	120.4
745	R	22.6	Very low	29.5	Very low	251 Å²	251	141 Å²	141	95%	0.947	77%	0.77	S	S	*	*				-159.5	-171.5	82.7	-140.9	171.4	-179.1	162.9	-1	110.2
746	A	26.4	Very low	29.5	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	77%	0.766	S	S	*	*			trans	-109.3	177.8	-172.5	0	0	0	0	0	112.8
747	I	24.1	Very low	29.4	Very low	171 Å²	171	140.8 Å²	140.8	88%	0.877	76%	0.764	S	S	*	*			trans	124	147.5	167.6	-66.3	164	0	0	0	112
748	A	25.2	Very low	28.9	Very low	69 Å²	69	144.2 Å²	144.2	57%	0.57	78%	0.775	S	S	*	*			trans	-63.9	-174	-161.9	0	0	0	0	0	117.8
749	E	23.1	Very low	28.8	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	77%	0.77	S	S	*	*			trans	68.6	144	169.3	-69.4	130.2	-148	0	0	115.2
750	E	24.6	Very low	28.8	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	77%	0.773	S	S	*	*			cis	-150.3	163.6	-1.6	-131.8	170.3	-173.4	0	0	112.1
751	R	29.3	Very low	29.1	Very low	232 Å²	232	142 Å²	142	88%	0.875	77%	0.767	S	S	*	*			trans	-96	157.2	161.6	-88.3	-176.8	-177.8	172.2	0.7	107.3
752	P	41.8	Very low	29.1	Very low	112 Å²	112	139.4 Å²	139.4	73%	0.727	76%	0.762	S	S	*	*				-153.2	-157.2	59.3	42.5	-19.7	0	0	0	116
753	G	28.6	Very low	27.8	Very low	68 Å²	68	139.8 Å²	139.8	70%	0.701	77%	0.767	S	S	*	*			trans	128.8	61.5	-165.5	0	0	0	0	0	110.5
754	D	29.6	Very low	27.9	Very low	107 Å²	107	139 Å²	139	57%	0.572	77%	0.77	S	S	*	*				66.2	126.7	60.1	-64.5	-12.8	0	0	0	112.8
755	F	26.1	Very low	27.9	Very low	176 Å²	176	140.3 Å²	140.3	77%	0.772	77%	0.771	S	S	*	*			cis	-133	-175.8	-5	-63.4	-70.7	0	0	0	108.9
756	V	29.1	Very low	28	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.715	76%	0.764	S	S	*	*			cis	-152.3	144.8	9.1	74.7	0	0	0	0	106.9
757	T	28.6	Very low	28	Very low	118 Å²	118	140 Å²	140	72%	0.724	76%	0.76	S	S	*	*			cis	95.7	54.1	11.1	79.8	0	0	0	0	118.9
758	L	29.4	Very low	28	Very low	179 Å²	179	138.5 Å²	138.5	94%	0.937	75%	0.752	S	S	*	*			trans	-144.5	124.1	160.8	-98.8	164.6	0	0	0	110.9
759	G	27.8	Very low	28	Very low	67 Å²	67	143 Å²	143	69%	0.691	77%	0.766	S	S	*	*			cis	-152	156.6	-6.8	0	0	0	0	0	112.3
760	T	28.5	Very low	28.2	Very low	140 Å²	140	142 Å²	142	86%	0.859	76%	0.761	S	S	*	*			trans	-109.9	-164.8	-172.8	53	0	0	0	0	109
761	P	32.7	Very low	28.2	Very low	107 Å²	107	144 Å²	144	70%	0.695	76%	0.761	S	S	*	*			cis	-144.2	174.1	6.8	44.1	-23.2	0	0	0	119.8
762	S	27	Very low	27.9	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	76%	0.764	S	S	*	*			trans	-9.7	156.5	152.1	60.7	0	0	0	0	119.9
763	S	26.6	Very low	27	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	76%	0.761	S	S	*	*			cis	-169.4	169	14.7	30.2	0	0	0	0	108.9
764	L	28	Very low	26.8	Very low	163 Å²	163	150.6 Å²	150.6	85%	0.853	77%	0.771	S	S	*	*				-175.5	167.9	70.8	-99.2	173.1	0	0	0	111.7
765	Y	26.3	Very low	26.6	Very low	226 Å²	226	153.9 Å²	153.9	89%	0.886	79%	0.788	S	S	*	*			trans	-66.8	124.5	168.3	-105.9	-102.8	0	0	0	112.4
766	R	26.2	Very low	26.6	Very low	213 Å²	213	154.2 Å²	154.2	80%	0.804	79%	0.792	S	S	*	*				171.3	142	113	-110	-173.1	168	175.8	-2.2	114.5
767	N	25.3	Very low	26.6	Very low	118 Å²	118	156.3 Å²	156.3	63%	0.631	79%	0.794	S	S	*	*			trans	53.2	133.5	137.9	-71.2	13.1	0	0	0	123.4
768	I	25.3	Very low	26.9	Very low	138 Å²	138	158.3 Å²	158.3	71%	0.708	80%	0.795	S	S	*	*			trans	73.5	108	141.1	-62.4	162.7	0	0	0	117.4
769	L	23.3	Very low	27	Very low	164 Å²	164	157 Å²	157	86%	0.859	79%	0.788	S	S	*	*			trans	62.1	159.7	162.8	-60.4	165.9	0	0	0	114.8
770	E	27.3	Very low	26.9	Very low	150 Å²	150	156.7 Å²	156.7	70%	0.701	79%	0.785	S	S	*	*			cis	-104.3	-175.6	-1.3	-55.7	-177.2	121	0	0	109.2
771	R	24.7	Very low	27.1	Very low	226 Å²	226	157.1 Å²	157.1	85%	0.853	78%	0.78	S	S	*	*			cis	-168.3	109.6	43.3	-174.1	-176.1	-170.5	-179.4	3.2	113
772	E	23	Very low	26.7	Very low	202 Å²	202	159.6 Å²	159.6	94%	0.944	79%	0.794	S	S	*	*			trans	-134.2	119.3	141.8	-166.1	161.8	-126.6	0	0	107.1
773	K	24.6	Very low	26.9	Very low	153 Å²	153	162.8 Å²	162.8	67%	0.665	80%	0.797	S	S	*	*			trans	-151.9	73.8	-168.2	-173.7	-172.9	-179.6	170	0	110.1
774	E	24.5	Very low	26.9	Very low	194 Å²	194	167.6 Å²	167.6	91%	0.907	80%	0.801	S	S	*	*			trans	-156.5	67.7	169.7	-129.6	162.1	-116.4	0	0	112.3
775	L	25.3	Very low	27	Very low	177 Å²	177	168.6 Å²	168.6	93%	0.927	80%	0.799	S	S	*	*			trans	-163.3	103.6	156.3	-112.5	163.6	0	0	0	110
776	Q	25.5	Very low	27	Very low	182 Å²	182	169.8 Å²	169.8	85%	0.85	80%	0.802	S	S	*	*			trans	-147.7	85.7	178.9	-165.7	179.3	22.3	0	0	112.1
777	Q	28.9	Very low	27.1	Very low	163 Å²	163	168.4 Å²	168.4	76%	0.762	80%	0.802	S	S	*	*			trans	-176.4	115.3	137.8	-99.1	162.4	12.5	0	0	108.6
778	Q	34	Very low	27.3	Very low	160 Å²	160	169.8 Å²	169.8	75%	0.748	81%	0.809	S	S	*	*				77	137.8	92.2	-72.1	-169.1	-29.3	0	0	113.2
779	L	31.3	Very low	27.3	Very low	151 Å²	151	171.1 Å²	171.1	79%	0.791	82%	0.817	S	S	*	*			cis	-161.8	151.9	0.3	-124.6	166.9	0	0	0	112.3
780	G	26.6	Very low	27.8	Very low	60 Å²	60	168.7 Å²	168.7	62%	0.619	81%	0.811	S	S	*	*			trans	97.3	153	143	0	0	0	0	0	118
781	I	32.1	Very low	27.9	Very low	150 Å²	150	169.5 Å²	169.5	77%	0.769	82%	0.815	S	S	*	*			cis	-141.2	123.3	-10.2	-63.8	176.7	0	0	0	108.3
782	T	25.5	Very low	28	Very low	158 Å²	158	165.3 Å²	165.3	97%	0.969	81%	0.809	S	S	*	*			trans	-124.6	47.1	168.1	45.3	0	0	0	0	111.6
783	E	30.5	Very low	28.3	Very low	171 Å²	171	164.1 Å²	164.1	80%	0.799	80%	0.803	S	S	*	*			trans	-124	82.9	172.6	-170.9	165.4	-129.7	0	0	110.3
784	Y	26.7	Very low	29.2	Very low	200 Å²	200	162.4 Å²	162.4	78%	0.784	81%	0.807	S	S	*	*	S	Bend	trans	-156.8	-51	155.7	-134.6	-78.3	0	0	0	114.3
785	F	29.6	Very low	29.3	Very low	185 Å²	185	157.5 Å²	157.5	81%	0.811	80%	0.8	S	S	*	*	S	Bend	trans	-126.6	77.8	-167.4	-69.2	-62.5	0	0	0	116.1
786	R	27.6	Very low	29.2	Very low	250 Å²	250	157.1 Å²	157.1	94%	0.943	80%	0.796	S	S	*	*	S	Bend	trans	-146.2	52.2	145.1	-155.5	-173.3	175.1	94.8	-0.6	113.2
787	K	28	Very low	29.2	Very low	185 Å²	185	155.1 Å²	155.1	80%	0.804	79%	0.791	S	S	*	*	S	Bend	trans	-129.5	150.3	159.2	-91.5	-173.3	175.4	177.1	0	110.3
788	N	28	Very low	29	Very low	147 Å²	147	155.9 Å²	155.9	79%	0.786	80%	0.797	S	S	*	*			trans	69.5	80.4	167.7	-54.2	-7.9	0	0	0	116.6
789	L	26.5	Very low	28.5	Very low	165 Å²	165	155.8 Å²	155.8	86%	0.864	80%	0.796	S	S	*	*			trans	-52.3	132.9	139.6	174.5	77.8	0	0	0	110.2
790	P	33.1	Very low	28.2	Very low	113 Å²	113	155 Å²	155	73%	0.734	80%	0.797	S	S	*	*			trans	-110.4	158.6	162.9	36.8	-28.1	0	0	0	112.4
791	Q	30.5	Very low	28.9	Very low	168 Å²	168	158.2 Å²	158.2	79%	0.785	81%	0.808	S	S	*	*			trans	-128.3	141.8	168.6	-106	-168.9	0.1	0	0	110.4
792	L	27.1	Very low	28.7	Very low	138 Å²	138	154.6 Å²	154.6	72%	0.723	81%	0.807	S	S	*	*			trans	59.6	109.6	168.8	-75.2	83.3	0	0	0	119.4
793	Q	27.8	Very low	28.8	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	80%	0.801	S	S	*	*				48.9	160.6	113	-76.8	-175.3	-9.7	0	0	122
794	P	45.1	Very low	29.2	Very low	116 Å²	116	152.6 Å²	152.6	75%	0.753	80%	0.795	S	S	*	*			cis	-132.5	-172.9	-0.3	38	-19	0	0	0	116.1
795	A	25.2	Very low	29.3	Very low	92 Å²	92	151.4 Å²	151.4	76%	0.76	80%	0.797	S	S	*	*			trans	113.8	130.3	141	0	0	0	0	0	121.7
796	M	23.7	Very low	29.3	Very low	169 Å²	169	148.4 Å²	148.4	83%	0.833	79%	0.785	S	S	*	*			trans	66.2	109.9	149.5	-76.7	172.3	161.6	0	0	124
797	D	24.5	Very low	29.3	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	78%	0.778	S	S	*	*				53.8	114.6	125.1	-51.9	-14.8	0	0	0	123.4
798	M	24.8	Very low	29.2	Very low	180 Å²	180	141.5 Å²	141.5	89%	0.887	77%	0.769	S	S	*	*				-166.5	167.6	110.5	-113.5	-173.5	168.5	0	0	115.4
799	Q	23.5	Very low	29.2	Very low	157 Å²	157	141.4 Å²	141.4	73%	0.734	77%	0.767	S	S	*	*			trans	-67.8	150.5	-173.3	-63.7	127.9	-33.4	0	0	113.5
800	V	25.5	Very low	29.1	Very low	134 Å²	134	141.2 Å²	141.2	81%	0.812	76%	0.764	S	S	*	*				64.5	135.5	51.5	-178.9	0	0	0	0	112.9
801	P	42	Very low	28.8	Very low	129 Å²	129	144.4 Å²	144.4	84%	0.838	77%	0.769	S	S	*	*			cis	-126	-169.7	-10.6	40.9	-24.4	0	0	0	114.4
802	G	26.7	Very low	28.6	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	77%	0.767	S	S	*	*			trans	175.5	96.5	164.4	0	0	0	0	0	119.5
803	H	28.3	Very low	28.7	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	76%	0.759	S	S	*	*			trans	-139.7	150.6	157.8	-114.6	40.2	0	0	0	106.4
804	P	38.3	Very low	28.4	Very low	104 Å²	104	139.8 Å²	139.8	68%	0.675	76%	0.756	S	S	*	*				-151.2	176.8	64.3	42.6	-23.1	0	0	0	117.5
805	E	29.5	Very low	27.6	Very low	175 Å²	175	143.2 Å²	143.2	82%	0.818	76%	0.756	S	S	*	*			trans	21.8	149.9	138.6	-59.5	176.2	139.7	0	0	122
806	E	29.6	Very low	27.6	Very low	122 Å²	122	145 Å²	145	57%	0.57	76%	0.757	S	S	*	*			cis	-117.9	-128.3	17.2	-151.6	-159.2	101	0	0	113.6	K808	E806-K808 PolarHBondContact OE2-NZ 3.39Å; E806-K808 IonicContact OE2-NZ 2.73Å; E806-K808 PolarHBondContact OE1-NZ 2.97Å; E806-K808 PolarHBondContact OE1-N 2.93Å; E806-K808 IonicContact OE1-NZ 2.67Å; E806-K808 VanDerWaalsContact OE1-CG 3.24Å; E806-K808 WeakPolarHBondContact OE1-CG 3.34Å
807	L	27.6	Very low	27.8	Very low	151 Å²	151	148 Å²	148	79%	0.791	76%	0.759	S	S	*	*			cis	-147.8	145.8	10.6	-177.3	63	0	0	0	112.8
808	K	26.3	Very low	28.5	Very low	139 Å²	139	147.2 Å²	147.2	60%	0.604	76%	0.761	S	S	*	*			trans	-38.8	156.1	166	-74.5	158.5	-165.5	81.9	0	115.6	E806	E806-K808 PolarHBondContact OE2-NZ 3.39Å; E806-K808 IonicContact OE2-NZ 2.73Å; E806-K808 PolarHBondContact OE1-NZ 2.97Å; E806-K808 PolarHBondContact OE1-N 2.93Å; E806-K808 IonicContact OE1-NZ 2.67Å; E806-K808 VanDerWaalsContact OE1-CG 3.24Å; E806-K808 WeakPolarHBondContact OE1-CG 3.34Å
809	L	27.8	Very low	28.4	Very low	145 Å²	145	150.1 Å²	150.1	76%	0.759	76%	0.763	S	S	*	*			cis	-146.2	167.6	17.3	-146.2	73.5	0	0	0	107.1
810	M	24.1	Very low	28.7	Very low	160 Å²	160	152 Å²	152	79%	0.788	77%	0.768	S	S	*	*			cis	-155.9	146.1	12	-169.3	168.1	70.9	0	0	111.6
811	E	26.4	Very low	28.6	Very low	180 Å²	180	151.9 Å²	151.9	84%	0.841	77%	0.768	S	S	*	*			trans	-150.2	138.2	161.8	-174.6	-172.7	-118.2	0	0	108.9
812	T	26.2	Very low	27.9	Very low	122 Å²	122	154.4 Å²	154.4	75%	0.748	77%	0.771	S	S	*	*			trans	168.6	148.3	161.9	23.9	0	0	0	0	111.1
813	I	29.2	Very low	27.8	Very low	107 Å²	107	158.4 Å²	158.4	55%	0.549	77%	0.774	S	S	.	*			cis	-163.6	159.3	-25.8	-135.5	177.7	0	0	0	110.7	Y815	I813-Y815 HydrophobicContact CD1-CD2 4.04Å; I813-Y815 HydrophobicContact CD1-CE2 3.92Å; I813-Y815 HydrophobicContact CG1-CD2 3.97Å; I813-Y815 HydrophobicContact CG1-CE2 4.13Å
814	M	22.7	Very low	27.9	Very low	158 Å²	158	157.7 Å²	157.7	78%	0.778	77%	0.771	S	S	*	*			trans	151.7	113.4	141.7	-80.3	-55.7	175.6	0	0	107.7
815	Y	28.6	Very low	27.4	Very low	188 Å²	188	161.4 Å²	161.4	74%	0.737	78%	0.779	S	S	*	*				61.6	139.4	54.7	-74.3	-94.9	0	0	0	113.8	I813	I813-Y815 HydrophobicContact CD1-CD2 4.04Å; I813-Y815 HydrophobicContact CD1-CE2 3.92Å; I813-Y815 HydrophobicContact CG1-CD2 3.97Å; I813-Y815 HydrophobicContact CG1-CE2 4.13Å
816	T	24.2	Very low	27.3	Very low	128 Å²	128	159.5 Å²	159.5	79%	0.785	78%	0.78	S	S	*	*			cis	-137.3	155.4	28.7	48.5	0	0	0	0	116.6
817	R	28.3	Very low	27.9	Very low	233 Å²	233	162.3 Å²	162.3	88%	0.879	79%	0.79	S	S	*	*			trans	-82.8	160.6	162.9	-82	178.1	171.8	169.1	-1.6	112.1
818	P	38.2	Very low	28.4	Very low	122 Å²	122	161.4 Å²	161.4	79%	0.792	79%	0.786	S	S	*	*				-140.1	-167.4	92.5	43.3	-29.2	0	0	0	111.4
819	R	24.3	Very low	28.7	Very low	241 Å²	241	162.8 Å²	162.8	91%	0.909	79%	0.794	S	S	*	*			cis	-137.5	-114	-2.9	-155.3	173.8	-171.4	173.4	2.7	111.7
820	K	28.3	Very low	28.9	Very low	196 Å²	196	165.3 Å²	165.3	85%	0.852	80%	0.795	S	S	*	*			trans	-162.4	147.6	177.9	-69.8	-175.1	179.5	-178.8	0	110.3
821	V	24.2	Very low	29.5	Very low	132 Å²	132	165.5 Å²	165.5	80%	0.8	79%	0.792	S	S	*	*				177.5	145.4	112.3	154	0	0	0	0	107.5
822	M	26.9	Very low	30	Very low	183 Å²	183	163.9 Å²	163.9	90%	0.901	78%	0.784	S	S	*	*			trans	-116.7	134.1	177.5	-173.3	169.3	176.1	0	0	108.1
823	L	25	Very low	30.3	Very low	156 Å²	156	164.9 Å²	164.9	82%	0.817	78%	0.784	S	S	*	*			trans	-125.1	141.8	177.8	-143.4	94.5	0	0	0	108.2
824	E	31.3	Very low	30.6	Very low	170 Å²	170	167.9 Å²	167.9	79%	0.794	79%	0.794	S	S	*	*			trans	-88.7	170.9	169.5	-71.4	-173	112.6	0	0	111.2
825	Q	26.5	Very low	31.1	Very low	182 Å²	182	163.1 Å²	163.1	85%	0.85	78%	0.779	S	S	*	*			trans	76.3	141	-178.7	-46.8	179.3	5.2	0	0	112.9
826	T	27.2	Very low	31.2	Very low	134 Å²	134	160.5 Å²	160.5	82%	0.822	78%	0.778	S	S	*	*			cis	-148.1	-171.1	4.6	-15.7	0	0	0	0	111.7
827	K	41.9	Very low	31.6	Very low	181 Å²	181	160.8 Å²	160.8	79%	0.787	77%	0.774	S	S	*	*			trans	-68.3	167	174.9	-57.2	177.6	175.2	177.7	0	112.9
828	N	39.4	Very low	32.2	Very low	132 Å²	132	158.5 Å²	158.5	71%	0.706	77%	0.773	S	S	*	*			trans	96.5	32.7	153.6	-59.4	-5.6	0	0	0	121.5
829	E	31.1	Very low	32	Very low	168 Å²	168	157.5 Å²	157.5	79%	0.785	77%	0.765	S	S	*	*			trans	-112.3	-3.6	171.9	-69.9	-173.8	170.5	0	0	116.4	F831	E829-F831 VanDerWaalsContact C-N 3.32Å; E829-F831 PolarHBondContact O-N 3.33Å
830	Y	33.9	Very low	32.4	Very low	198 Å²	198	154.8 Å²	154.8	78%	0.776	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-14.1	178.4	-168.2	-103	0	0	0	114.4
831	F	36.3	Very low	32.6	Very low	165 Å²	165	150.5 Å²	150.5	72%	0.724	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-30.9	-173	-78.8	-80.7	0	0	0	114.5	E829 K834 A835	E829-F831 VanDerWaalsContact C-N 3.32Å; E829-F831 PolarHBondContact O-N 3.33Å; F831-K834 PolarHBondContact O-N 3.35Å; F831-A835 PolarHBondContact O-N 3.05Å
832	E	36.5	Very low	33	Very low	145 Å²	145	149.2 Å²	149.2	68%	0.678	74%	0.743	S	S	*	*	H	α-helix	trans	-71.6	-36.2	-180	-63.9	-166.7	137.5	0	0	112.5	K834 A835 N836	E832-K834 PolarHBondContact O-N 2.92Å; E832-K834 VanDerWaalsContact O-N 3.12Å; E832-A835 WeakPolarHBondContact O-CB 3.45Å; E832-A835 PolarHBondContact O-N 3.08Å; E832-N836 PolarHBondContact O-N 2.93Å
833	L	32.3	Very low	33.2	Very low	143 Å²	143	150.3 Å²	150.3	75%	0.749	74%	0.739	S	S	*	*	H	α-helix	trans	-63.7	-14.5	173.9	-94	160.9	0	0	0	114.1
834	K	35	Very low	33.6	Very low	171 Å²	171	149.2 Å²	149.2	74%	0.743	73%	0.733	S	S	*	*	H	α-helix	trans	-96.7	-12.7	172.5	-152.5	-175	176.9	-167.5	0	113.3	F831 E832	F831-K834 PolarHBondContact O-N 3.35Å; E832-K834 PolarHBondContact O-N 2.92Å; E832-K834 VanDerWaalsContact O-N 3.12Å
835	A	33.7	Very low	33.9	Very low	57 Å²	57	147.7 Å²	147.7	47%	0.471	73%	0.726	S	S	.	*	H	α-helix	trans	-81.1	-43.8	176.8	0	0	0	0	0	111.9	F831 E832 L837	F831-A835 PolarHBondContact O-N 3.05Å; E832-A835 WeakPolarHBondContact O-CB 3.45Å; E832-A835 PolarHBondContact O-N 3.08Å; A835-L837 VanDerWaalsContact O-N 3.07Å; A835-L837 PolarHBondContact O-N 2.9Å
836	N	30.5	Very low	34.5	Very low	134 Å²	134	142.7 Å²	142.7	72%	0.717	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	25.3	-175	-70.5	-18	0	0	0	114.9	E832	E832-N836 PolarHBondContact O-N 2.93Å
837	L	32	Very low	34.8	Very low	134 Å²	134	142 Å²	142	70%	0.702	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	7.2	-178.3	-124.7	163.3	0	0	0	113.5	A835	A835-L837 VanDerWaalsContact O-N 3.07Å; A835-L837 PolarHBondContact O-N 2.9Å
838	H	41	Very low	34.7	Very low	184 Å²	184	140.8 Å²	140.8	85%	0.852	70%	0.695	S	S	*	*	S	Bend	trans	-136.1	22.7	177.1	-91.1	30.9	0	0	0	112.6
839	T	35.3	Very low	34.9	Very low	101 Å²	101	141.6 Å²	141.6	62%	0.62	70%	0.695	S	S	*	*	S	Bend	trans	-123	32.6	-170.8	52.3	0	0	0	0	114.4
840	E	31.2	Very low	35.2	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	69%	0.69	S	S	*	*			trans	-146.9	124.2	164.6	-119	169.8	-145.8	0	0	109.4
841	P	34.5	Very low	35.3	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	69%	0.686	S	S	*	*			trans	-80.3	135.9	172.1	31.9	-31.8	0	0	0	110.1	Y843	P841-Y843 PolarHBondContact O-N 3.21Å
842	D	31.2	Very low	35.3	Very low	105 Å²	105	132.5 Å²	132.5	56%	0.561	68%	0.683	S	S	*	*			trans	-63.2	121	179.1	-166.8	-34.1	0	0	0	110.5	L844 E845	D842-L844 PolarHBondContact O-N 2.04Å; D842-L844 PolarHBondContact OD1-N 2.92Å; D842-E845 PolarHBondContact O-N 2.66Å
843	Y	30.6	Very low	35.4	Very low	205 Å²	205	133.9 Å²	133.9	80%	0.804	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-10.5	-171.9	-149.9	-96.7	0	0	0	113.2	P841	P841-Y843 PolarHBondContact O-N 3.21Å
844	L	33.8	Very low	35.5	Very low	134 Å²	134	135.7 Å²	135.7	70%	0.702	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-40.3	171	-81.5	83	0	0	0	112.8	D842 V846 L847 E848	D842-L844 PolarHBondContact O-N 2.04Å; D842-L844 PolarHBondContact OD1-N 2.92Å; L844-V846 VanDerWaalsContact C-N 3.31Å; L844-V846 PolarHBondContact O-N 3.1Å; L844-L847 WeakPolarHBondContact O-CB 3.31Å; L844-L847 PolarHBondContact O-N 3.45Å; L844-E848 PolarHBondContact O-N 2.98Å
845	E	38.3	Very low	35.5	Very low	138 Å²	138	134 Å²	134	65%	0.645	70%	0.695	S	S	*	*	H	α-helix	trans	-66.7	-33.9	-172.2	-165.8	172.9	-131.8	0	0	112	D842 L847	D842-E845 PolarHBondContact O-N 2.66Å; E845-L847 VanDerWaalsContact C-N 3.27Å; E845-L847 PolarHBondContact O-N 3.13Å
846	V	38.2	Very low	35.6	Very low	77 Å²	77	138 Å²	138	47%	0.467	71%	0.707	S	S	.	*	H	α-helix	trans	-65.6	-28.5	174.1	-178.1	0	0	0	0	112.3	L844	L844-V846 VanDerWaalsContact C-N 3.31Å; L844-V846 PolarHBondContact O-N 3.1Å
847	L	34.3	Very low	35.9	Very low	118 Å²	118	138.2 Å²	138.2	62%	0.618	71%	0.707	S	S	*	*	H	α-helix	trans	-78.6	-41.2	-174.1	-155.3	76.3	0	0	0	112.2	L844 E845 Q850	L844-L847 WeakPolarHBondContact O-CB 3.31Å; L844-L847 PolarHBondContact O-N 3.45Å; E845-L847 VanDerWaalsContact C-N 3.27Å; E845-L847 PolarHBondContact O-N 3.13Å; L847-Q850 PolarHBondContact O-N 3.28Å
848	E	38.8	Very low	36.1	Very low	156 Å²	156	138.5 Å²	138.5	73%	0.729	71%	0.707	S	S	*	*	H	α-helix	trans	-63.5	-43.6	176.5	-62.8	-156	137.9	0	0	111	L844 Q850 T851	L844-E848 PolarHBondContact O-N 2.98Å; E848-Q850 PolarHBondContact O-N 2.82Å; E848-Q850 VanDerWaalsContact O-N 3.14Å; E848-T851 PolarHBondContact O-N 3.27Å; E848-T851 PolarHBondContact O-OG1 3.28Å
849	H	44.4	Very low	35.8	Very low	149 Å²	149	135.6 Å²	135.6	69%	0.69	70%	0.698	S	S	*	*	H	α-helix	trans	-61.5	-21.3	179.2	-92.9	-74.4	0	0	0	115
850	Q	36.5	Very low	35.9	Very low	146 Å²	146	137.9 Å²	137.9	68%	0.682	70%	0.703	S	S	*	*	H	α-helix	trans	-85.1	-17.8	173.5	-69.9	-166.4	7.7	0	0	114.1	L847 E848	L847-Q850 PolarHBondContact O-N 3.28Å; E848-Q850 PolarHBondContact O-N 2.82Å; E848-Q850 VanDerWaalsContact O-N 3.14Å
851	T	36.3	Very low	36.2	Very low	114 Å²	114	134.6 Å²	134.6	70%	0.699	69%	0.692	S	S	*	*	H	α-helix	trans	-79.7	-15.6	-178.7	64.4	0	0	0	0	114.1	E848 F853	E848-T851 PolarHBondContact O-N 3.27Å; E848-T851 PolarHBondContact O-OG1 3.28Å; T851-F853 PolarHBondContact O-N 3.13Å; T851-F853 VanDerWaalsContact O-N 3.13Å
852	A	37.2	Very low	36.3	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	0	-179	0	0	0	0	0	115.5
853	F	38	Very low	36.8	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.763	70%	0.703	S	S	*	*			trans	-126.5	90.5	-177.5	-85.3	-83.8	0	0	0	113.7	T851	T851-F853 PolarHBondContact O-N 3.13Å; T851-F853 VanDerWaalsContact O-N 3.13Å
854	N	34.9	Very low	37.3	Very low	182 Å²	182	133.5 Å²	133.5	97%	0.973	69%	0.694	S	S	*	*			trans	-161.1	0	160.4	-111.3	-66.6	0	0	0	117.2	R636	R636-N854 PolarHBondContact NH2-OXT 3.46Å

Retrieved 854 of 854 residues in 169.7 ms (Link to these results)

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