A0A087XBE0_POEFO Loading...

Inter-alpha-trypsin inhibitor heavy chain H3

May act as a carrier of hyaluronan in serum or as a binding protein between hyaluronan and other matrix protein, including those on cell surfaces in tissues to regulate the localization, synthesis and degradation of hyaluronan which are essential to cells undergoing biological processes.

AlphaFold DB , UniProt , Accession A0A087XBE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 920 aa.

						>A0A087XBE0_POEFO|A0A087XBE0
MSGPLGVRLLLLLLWGCGCLWLANPTSGALVIFEDDEAPEEMTGATKVLQKRSTNEAMVEVLSVTVDCTVTNRFAHTVMTSVALNKANTSKEIFFDVELPKSAFITNFSMEIEGKVYVGNVKEKEKAKKQYEKAVSSGQTAGLVKASGRKMEKFSVSVNIAAESNVTFILTYEELLQRKLGQYEILIRVKPKSLVEQFQISTNIYEPQGLSHVDAHATFLSNELLPLVEKTVLEKKAHISFSPTVEQQRKCPGCDGTLIDGDFIIKYDVNRQESVGDIQIVNGYFVHFFAPPDLPRVPKNVVFVIDRSGSMSGTKMAQTRDALVAILEDLHEDDHFALIQFDSAILSWKESLTKATKENVAEAKNYARSIRDNGATDINQAVLDGVEMLKRDRQANRLPERSVDMIILLTDGMPNSGVSDIRKIQENVRSAVGGNMSLFCLGFGNDVDYNFLDVMSKENKGLARRIFEASDATLQLQDFYEEVASPLLLEVDLVYPDNAVDYVTTSHFPQLFNGSEIVVAGRLTDNDLDNFLVEVLGQGFEDNYKVQGQASVFDWNVMYPDETYIFGDFTERLWAYLTIQQLLEKSKTGTADEKANATAKALEMSLQYSFVTPLTSMVVTKPETEDGTDSPLIADKLTEEQRQQAERLRPMAYSRGASHFIPAPVQYAPSPVYLVDGDPHFIIELPGRNDSLCFNINNAPGTIFNLVRDPEAGVFVNGQIIGDKKIPPDGKINTYFWRFGIVHQTLGVSLLVTTQYISVSQDGKDAKLLWTDTGSLKGPNVDVVVTKDGSLTVTLKDSVKFVILLHKVWKKHPYHRDYLGFYTLDTHLLSPSVHGLLGQFYHGIEYEVTDLRPGESPEKPDATMFAKGHQLNVTRGWQRDFRRDVKNGDNVPCWFIHNNGSGLIDGAAADYVVSSLFTTV
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	27.1	Very low	235 Å²	235	140.2 Å²	140.2	100%	1.158	80%	0.801	S	S	*	*				0	118.3	0	-76.9	171.9	72.4	0	0	107.6
2	S	28.8	Very low	26.7	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	79%	0.788	S	S	*	*			trans	43.9	105.2	153.5	48.2	0	0	0	0	118.1
3	G	26.2	Very low	26.5	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	80%	0.798	S	S	*	*				76	162.4	62	0	0	0	0	0	111.3
4	P	44.3	Very low	26.2	Very low	115 Å²	115	141.4 Å²	141.4	75%	0.747	79%	0.793	S	S	*	*			cis	-151	-178.7	-19.1	41.6	-20.9	0	0	0	116
5	L	25.8	Very low	26.1	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	81%	0.806	S	S	*	*			trans	52.2	140	136.4	-93	99.4	0	0	0	125.9
6	G	22.6	Very low	25.9	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	80%	0.802	S	S	*	*			trans	134.4	97.4	138	0	0	0	0	0	113.5
7	V	24.5	Very low	25.8	Very low	130 Å²	130	144.2 Å²	144.2	79%	0.788	81%	0.81	S	S	*	*				56.1	123.5	64.7	-166.3	0	0	0	0	115.4
8	R	24.7	Very low	25.7	Very low	229 Å²	229	140.3 Å²	140.3	86%	0.864	81%	0.807	S	S	*	*			trans	121.3	145.1	154.7	-75.3	-163.4	172.6	-179.6	-2.5	114.1
9	L	23.6	Very low	25.5	Very low	131 Å²	131	139.1 Å²	139.1	69%	0.686	81%	0.806	S	S	*	*			cis	176.9	144.5	-14.6	-161.8	82.3	0	0	0	106.7
10	L	23.8	Very low	25.4	Very low	116 Å²	116	140.4 Å²	140.4	61%	0.607	81%	0.809	S	S	*	*			trans	61.8	127.3	146	-105	124.5	0	0	0	121.8	L12	L10-L12 HydrophobicContact CD2-CD1 3.99Å
11	L	22.7	Very low	25.2	Very low	168 Å²	168	145.6 Å²	145.6	88%	0.88	82%	0.816	S	S	*	*				-166	126.8	106	-104.9	151.7	0	0	0	114.1
12	L	23.2	Very low	24.8	Very low	123 Å²	123	141.8 Å²	141.8	64%	0.644	80%	0.799	S	S	*	*			trans	-67.5	146.5	168.7	-79	124.3	0	0	0	112	L10	L10-L12 HydrophobicContact CD2-CD1 3.99Å
13	L	23.9	Very low	24.5	Very low	175 Å²	175	140.5 Å²	140.5	92%	0.916	80%	0.795	S	S	*	*			trans	-133.3	108.6	144.6	-92.5	165.1	0	0	0	109.1
14	L	22.3	Very low	24.2	Very low	139 Å²	139	143.9 Å²	143.9	73%	0.728	80%	0.796	S	S	*	*			trans	-63.1	144.3	161.4	-79.9	143.2	0	0	0	109.4
15	W	24.1	Very low	23.2	Very low	263 Å²	263	144 Å²	144	100%	0.996	80%	0.797	S	S	*	*			trans	-155	124.7	134.8	-109	34	0	0	0	108.1
16	G	23.1	Very low	23.2	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	79%	0.794	S	S	*	*			trans	-84	154.8	-175.5	0	0	0	0	0	112.9
17	C	23.6	Very low	23.5	Very low	138 Å²	138	145.5 Å²	145.5	93%	0.932	81%	0.806	S	S	*	*			trans	-144.3	129	152.2	-134	0	0	0	0	108.1
18	G	24	Very low	23.6	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	80%	0.802	S	S	*	*			trans	-69.2	150.2	-170.3	0	0	0	0	0	114.4
19	C	23.1	Very low	23.6	Very low	117 Å²	117	134.4 Å²	134.4	79%	0.791	78%	0.784	S	S	*	*			trans	-0	124.9	158.1	-59	0	0	0	0	118.7
20	L	22.3	Very low	24	Very low	165 Å²	165	130.4 Å²	130.4	86%	0.864	76%	0.763	S	S	*	*				-154.7	83.2	123.6	-98.4	152.8	0	0	0	107	L22	L20-L22 PolarHBondContact O-N 3.39Å; L20-L22 VanDerWaalsContact O-N 3.13Å
21	W	22.1	Very low	24.1	Very low	249 Å²	249	129.4 Å²	129.4	94%	0.943	76%	0.761	S	S	*	*			trans	-72.6	97.3	165.9	-85	62.5	0	0	0	107.5	A23	W21-A23 VanDerWaalsContact C-N 3.29Å; W21-A23 PolarHBondContact O-N 3.16Å
22	L	21.5	Very low	24.2	Very low	156 Å²	156	127.6 Å²	127.6	82%	0.817	75%	0.751	S	S	*	*			trans	-76.2	92	156.1	-77.5	166.5	0	0	0	106.6	L20 N24	L20-L22 PolarHBondContact O-N 3.39Å; L20-L22 VanDerWaalsContact O-N 3.13Å; L22-N24 PolarHBondContact O-N 3.41Å; L22-N24 VanDerWaalsContact O-N 3.14Å
23	A	22.4	Very low	24.7	Very low	84 Å²	84	128.5 Å²	128.5	69%	0.694	75%	0.75	S	S	*	*			trans	-65.9	105.5	163.6	0	0	0	0	0	107.6	W21	W21-A23 VanDerWaalsContact C-N 3.29Å; W21-A23 PolarHBondContact O-N 3.16Å
24	N	21.1	Very low	24.6	Very low	143 Å²	143	128.9 Å²	128.9	77%	0.765	75%	0.747	S	S	*	*			trans	-66.1	125.7	162.4	-92.8	-19.7	0	0	0	107.8	L22 T26	L22-N24 PolarHBondContact O-N 3.41Å; L22-N24 VanDerWaalsContact O-N 3.14Å; N24-T26 PolarHBondContact O-N 2.78Å
25	P	24.1	Very low	24.7	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	75%	0.75	S	S	*	*			trans	-74.8	108.5	174.5	29.7	-29.7	0	0	0	108.5	S27	P25-S27 PolarHBondContact O-N 3.45Å
26	T	24.2	Very low	24.9	Very low	134 Å²	134	124.3 Å²	124.3	82%	0.822	74%	0.743	S	S	*	*			trans	-81.7	105.7	162.5	48.8	0	0	0	0	108.1	N24 G28	N24-T26 PolarHBondContact O-N 2.78Å; T26-G28 PolarHBondContact O-N 2.72Å
27	S	30.4	Very low	25	Very low	131 Å²	131	130 Å²	130	92%	0.916	75%	0.75	S	S	*	*			trans	-59.1	125.5	171.8	-70.2	0	0	0	0	111.3	P25	P25-S27 PolarHBondContact O-N 3.45Å
28	G	24.7	Very low	24.9	Very low	69 Å²	69	127.8 Å²	127.8	71%	0.711	74%	0.742	S	S	*	*			trans	-158.8	98.3	174.1	0	0	0	0	0	112.1	T26	T26-G28 PolarHBondContact O-N 2.72Å
29	A	24.4	Very low	25.1	Very low	58 Å²	58	130.7 Å²	130.7	48%	0.479	75%	0.748	S	S	.	*			trans	-72.8	174.2	-179.8	0	0	0	0	0	113.3	I32 K192	A29-I32 HydrophobicContact CB-CD1 4.07Å; A29-I32 HydrophobicContact CB-CG1 3.97Å; A29-K192 PolarHBondContact O-NZ 3.38Å
30	L	34	Very low	25.2	Very low	46 Å²	46	134 Å²	134	24%	0.241	75%	0.751	C	S	.	*	S	Bend	cis	-86.7	171.6	6.8	-61.7	66.6	0	0	0	114.3	F94 D96 K192	L30-F94 HydrophobicContact CD2-CB 3.89Å; L30-F94 HydrophobicContact CG-CB 4.31Å; L30-D96 HydrophobicContact CD1-CB 3.55Å; L30-D96 VanDerWaalsContact CD1-CG 3.49Å; L30-D96 WeakPolarHBondContact CD1-OD2 3.28Å; L30-D96 HydrophobicContact CD2-CB 3.7Å; L30-D96 HydrophobicContact CG-CB 4.08Å; L30-D96 VanDerWaalsContact CG-OD2 3.31Å; L30-D96 WeakPolarHBondContact CG-OD2 3.49Å; L30-K192 HydrophobicContact CB-CD 4.17Å; L30-K192 WeakPolarHBondContact O-CD 3.1Å; L30-K192 VanDerWaalsContact O-CE 3.25Å; L30-K192 WeakPolarHBondContact O-CE 3.28Å; L30-K192 PolarHBondContact O-NZ 3.17Å
31	V	24.3	Very low	25.4	Very low	95 Å²	95	135.3 Å²	135.3	58%	0.576	75%	0.753	S	S	*	*	P	Polyproline II helix	cis	-89.7	133.3	-15.3	171.1	0	0	0	0	106.6	F33	V31-F33 HydrophobicContact CB-CE2 4.47Å; V31-F33 HydrophobicContact CG1-CE2 4.31Å
32	I	26.3	Very low	25.6	Very low	130 Å²	130	131.8 Å²	131.8	67%	0.667	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-86.6	116	170.3	-62.2	-179.9	0	0	0	107.4	A29	A29-I32 HydrophobicContact CB-CD1 4.07Å; A29-I32 HydrophobicContact CB-CG1 3.97Å
33	F	32.3	Very low	26	Very low	142 Å²	142	131.2 Å²	131.2	62%	0.623	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-79.9	135.1	160.4	-64.8	-93.1	0	0	0	107.9	V31	V31-F33 HydrophobicContact CB-CE2 4.47Å; V31-F33 HydrophobicContact CG1-CE2 4.31Å
34	E	22.5	Very low	26.2	Very low	184 Å²	184	131 Å²	131	86%	0.86	76%	0.758	S	S	*	*			trans	-88.6	107.9	163.1	-165.4	174.5	-146.1	0	0	106.7
35	D	25.2	Very low	26.8	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	76%	0.76	S	S	*	*			trans	-119.8	111.2	163.6	-90.1	-25	0	0	0	107.5	E37	D35-E37 PolarHBondContact O-N 3.12Å
36	D	26.8	Very low	27	Very low	160 Å²	160	129.7 Å²	129.7	86%	0.856	76%	0.763	S	S	*	*			trans	-67.5	114.8	163.9	-102.8	-27.8	0	0	0	108.4
37	E	24.9	Very low	27.6	Very low	192 Å²	192	133 Å²	133	90%	0.897	77%	0.766	S	S	*	*			trans	-151.9	113.7	157.6	-116.4	175.3	-162.4	0	0	112.2	D35	D35-E37 PolarHBondContact O-N 3.12Å
38	A	22.6	Very low	27.4	Very low	92 Å²	92	132.9 Å²	132.9	76%	0.76	76%	0.76	S	S	*	*			trans	-73.9	147.7	169.6	0	0	0	0	0	110.5	E40	A38-E40 PolarHBondContact O-N 2.88Å
39	P	27.1	Very low	27.4	Very low	135 Å²	135	137.2 Å²	137.2	88%	0.877	77%	0.766	S	S	*	*			trans	-86.3	112.2	177.2	31.5	-29.3	0	0	0	111.1
40	E	26.5	Very low	27.8	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	79%	0.789	S	S	*	*			trans	-100	119.6	155.7	-81	-164.7	162.9	0	0	109.8	A38	A38-E40 PolarHBondContact O-N 2.88Å
41	E	26	Very low	27.3	Very low	192 Å²	192	151.4 Å²	151.4	90%	0.897	82%	0.818	S	S	*	*			trans	-69	130.8	162.1	-74.6	-176.2	145.8	0	0	109.8
42	M	25.5	Very low	27.5	Very low	176 Å²	176	158.1 Å²	158.1	87%	0.867	83%	0.833	S	S	*	*			trans	-162.4	137.9	139.7	-111.2	-167.9	-48.8	0	0	113.4
43	T	30.3	Very low	27.6	Very low	144 Å²	144	156.9 Å²	156.9	88%	0.883	84%	0.836	S	S	*	*			trans	-59.2	143.8	175.7	50.2	0	0	0	0	114.7
44	G	27.6	Very low	27.5	Very low	78 Å²	78	155 Å²	155	80%	0.804	84%	0.836	S	S	*	*			trans	157.1	117.2	156.3	0	0	0	0	0	115.5
45	A	33.9	Very low	28.1	Very low	99 Å²	99	152.8 Å²	152.8	82%	0.818	83%	0.83	S	S	*	*			trans	-64.6	142.5	170.6	0	0	0	0	0	112
46	T	27.1	Very low	29.1	Very low	136 Å²	136	153.3 Å²	153.3	83%	0.834	83%	0.828	S	S	*	*				173.6	138.2	123.4	-58	0	0	0	0	110.5
47	K	37.2	Very low	30.5	Very low	202 Å²	202	148.6 Å²	148.6	88%	0.878	81%	0.811	S	S	*	*			trans	-44.3	131	178.8	-72.3	173.3	172.5	176.3	0	115.1
48	V	25.6	Very low	32.8	Very low	129 Å²	129	143.6 Å²	143.6	78%	0.782	79%	0.789	S	S	*	*			trans	-144.9	126.2	156.4	-178.8	0	0	0	0	110.7
49	L	25.9	Very low	35.3	Very low	160 Å²	160	141.3 Å²	141.3	84%	0.838	77%	0.766	S	S	*	*			trans	21.8	123	157.5	-69.5	148.6	0	0	0	119.9	K51	L49-K51 PolarHBondContact O-N 3.22Å
50	Q	32.5	Very low	38.1	Very low	205 Å²	205	137.4 Å²	137.4	96%	0.958	74%	0.735	S	S	*	*			trans	-47.5	108.1	159.9	-89.4	176.8	-29.2	0	0	110.9
51	K	24.1	Very low	41.1	Very low	197 Å²	197	129.9 Å²	129.9	86%	0.857	70%	0.702	S	S	*	*			trans	-97.8	112.6	153.7	-146	178.8	-175.9	-172.8	0	105.8	L49 S53	L49-K51 PolarHBondContact O-N 3.22Å; K51-S53 VanDerWaalsContact C-N 3.34Å; K51-S53 PolarHBondContact O-N 3.3Å
52	R	28.2	Very low	44.1	Very low	237 Å²	237	122.6 Å²	122.6	89%	0.894	67%	0.669	S	S	*	*			trans	-55.3	104.7	160.3	-91.6	179.3	170.7	175.3	-4.9	105.8	T54	R52-T54 VanDerWaalsContact C-N 3.29Å; R52-T54 PolarHBondContact O-N 3.07Å
53	S	27.4	Very low	47.4	Very low	104 Å²	104	114.8 Å²	114.8	73%	0.727	63%	0.632	S	S	*	*			trans	-85.8	82.7	165.7	-169	0	0	0	0	106.4	K51 N55	K51-S53 VanDerWaalsContact C-N 3.34Å; K51-S53 PolarHBondContact O-N 3.3Å; S53-N55 VanDerWaalsContact C-N 3.27Å; S53-N55 PolarHBondContact O-N 2.95Å
54	T	29.8	Very low	50.5	Low	103 Å²	103	109.1 Å²	109.1	63%	0.632	60%	0.597	S	S	*	*			trans	-78.4	89.6	155.6	42.3	0	0	0	0	105.2	R52 E56	R52-T54 VanDerWaalsContact C-N 3.29Å; R52-T54 PolarHBondContact O-N 3.07Å; T54-E56 PolarHBondContact O-N 3.41Å
55	N	36.2	Very low	53.8	Low	136 Å²	136	106.8 Å²	106.8	73%	0.727	57%	0.568	S	S	*	*			trans	-71.3	80.5	160.1	-115.9	10.8	0	0	0	105.3	S53 A57	S53-N55 VanDerWaalsContact C-N 3.27Å; S53-N55 PolarHBondContact O-N 2.95Å; N55-A57 PolarHBondContact O-N 3.14Å
56	E	45.7	Very low	56.7	Low	156 Å²	156	102.2 Å²	102.2	73%	0.729	53%	0.529	S	S	*	.			trans	-58.8	126.5	171.4	-79.5	177.9	165.2	0	0	107.3	T54 M58	T54-E56 PolarHBondContact O-N 3.41Å; E56-M58 PolarHBondContact O-N 2.59Å
57	A	57.1	Low	60	Low	61 Å²	61	98.6 Å²	98.6	50%	0.504	51%	0.505	S	S	.	.			trans	-54.7	116.2	173.7	0	0	0	0	0	108.1	N55 V59	N55-A57 PolarHBondContact O-N 3.14Å; A57-V59 PolarHBondContact O-N 3.49Å; A57-V59 VanDerWaalsContact O-N 3.15Å
58	M	71.7	Confident	62.8	Low	87 Å²	87	89 Å²	89	43%	0.429	46%	0.463	S	S	.	.	S	Bend	trans	-65.1	-15.4	-177.3	-76.6	-172.1	-137.4	0	0	113	E56 N85 K86 A87	E56-M58 PolarHBondContact O-N 2.59Å; M58-N85 PolarHBondContact O-OD1 3.22Å; M58-K86 WeakPolarHBondContact O-CA 3.38Å; M58-K86 PolarHBondContact O-N 2.95Å; M58-A87 HydrophobicContact CB-CB 4Å; M58-A87 HydrophobicContact CG-CB 4.17Å; M58-A87 PolarHBondContact O-N 2.82Å; M58-A87 HydrophobicContact SD-CB 3.99Å
59	V	76.9	Confident	66.1	Low	45 Å²	45	84.3 Å²	84.3	27%	0.273	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.3	174	178.5	0	0	0	0	107.9	A57 A83 L84 K91 I93	A57-V59 PolarHBondContact O-N 3.49Å; A57-V59 VanDerWaalsContact O-N 3.15Å; V59-A83 HydrophobicContact CG1-CB 4.47Å; V59-L84 CarbonylContact C-O 3.52Å; V59-L84 WeakPolarHBondContact CA-O 3.44Å; V59-K91 HydrophobicContact CG2-CB 4.06Å; V59-K91 HydrophobicContact CG2-CG 4.42Å; V59-I93 HydrophobicContact CG1-CD1 3.55Å; V59-I93 HydrophobicContact CG1-CG1 3.97Å; V59-I93 HydrophobicContact CG2-CD1 4.24Å; V59-I93 HydrophobicContact CG2-CG1 4.21Å
60	E	85.4	Confident	69.2	Low	52 Å²	52	76.7 Å²	76.7	24%	0.243	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.9	-179.4	-178.9	176.6	-112.7	0	0	110.4	L62 A83 L84 K86	E60-L62 HydrophobicContact CG-CD2 4.31Å; E60-A83 CarbonylContact O-C 3.39Å; E60-A83 VanDerWaalsContact O-CA 3.32Å; E60-A83 WeakPolarHBondContact O-CA 3.47Å; E60-L84 PolarHBondContact N-O 3.04Å; E60-L84 PolarHBondContact O-N 3.38Å; E60-K86 IonicContact OE1-NZ 3.55Å; E60-K86 PolarHBondContact OE1-NZ 3.21Å; E60-K86 WeakPolarHBondContact OE2-CE 3.45Å; E60-K86 IonicContact OE2-NZ 2.78Å; E60-K86 PolarHBondContact OE2-NZ 2.94Å
61	V	88.4	Confident	71.9	Confident	29 Å²	29	67 Å²	67	18%	0.176	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	108.9	171.7	-175.7	0	0	0	0	108.1	V64 V82 V195	V61-V64 HydrophobicContact CG1-CG2 3.63Å; V61-V82 CarbonylContact C-O 3.52Å; V61-V195 HydrophobicContact CB-CG2 4.35Å; V61-V195 HydrophobicContact CG1-CG1 4.28Å; V61-V195 HydrophobicContact CG1-CG2 4.09Å
62	L	90.7	Very high	74.9	Confident	38 Å²	38	57.7 Å²	57.7	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-48.1	-177.4	-64.6	179.4	0	0	0	111.1	E60 V82 L84 E196 Q197	E60-L62 HydrophobicContact CG-CD2 4.31Å; L62-V82 HydrophobicContact CB-CB 4.37Å; L62-V82 HydrophobicContact CB-CG1 4.26Å; L62-V82 HydrophobicContact CD1-CG1 4.12Å; L62-V82 PolarHBondContact N-O 2.98Å; L62-L84 HydrophobicContact CD1-CB 3.88Å; L62-L84 HydrophobicContact CD2-CB 4.4Å; L62-L84 HydrophobicContact CG-CB 4.03Å; L62-E196 WeakPolarHBondContact O-CB 3.28Å; L62-E196 PolarHBondContact O-N 2.85Å; L62-Q197 PolarHBondContact O-N 2.83Å
63	S	93.8	Very high	78.1	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.9	-179.3	73.8	0	0	0	0	113.1	S81 V82 Q197	S63-S81 CarbonylContact O-C 3.52Å; S63-S81 VanDerWaalsContact O-CA 3.32Å; S63-S81 WeakPolarHBondContact O-CA 3.41Å; S63-V82 PolarHBondContact N-O 2.9Å; S63-V82 PolarHBondContact O-N 2.98Å; S63-V82 WeakPolarHBondContact OG-CB 3.43Å; S63-V82 VanDerWaalsContact OG-CG2 3.22Å; S63-V82 WeakPolarHBondContact OG-CG2 3.47Å; S63-Q197 CarbonylContact C-O 3.57Å; S63-Q197 WeakPolarHBondContact CA-O 3.31Å
64	V	95	Very high	81.2	Confident	25 Å²	25	41.4 Å²	41.4	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	112	169.2	178	0	0	0	0	107	V61 T80 V195 Q197 F198 Q199	V61-V64 HydrophobicContact CG1-CG2 3.63Å; V64-T80 CarbonylContact C-O 3.57Å; V64-T80 WeakPolarHBondContact CA-O 3.47Å; V64-V195 HydrophobicContact CB-CG1 4.3Å; V64-V195 HydrophobicContact CG2-CG1 4.04Å; V64-V195 HydrophobicContact CG2-CG2 4.08Å; V64-Q197 PolarHBondContact N-O 2.8Å; V64-F198 HydrophobicContact CB-CD2 3.99Å; V64-F198 HydrophobicContact CB-CE2 4.27Å; V64-F198 HydrophobicContact CG1-CD2 4.28Å; V64-F198 HydrophobicContact CG1-CE2 4.05Å; V64-F198 WeakPolarHBondContact O-CA 3.33Å; V64-Q199 PolarHBondContact O-N 3.2Å
65	T	96.2	Very high	84.3	Confident	29 Å²	29	36.5 Å²	36.5	18%	0.178	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.7	175.7	72.3	0	0	0	0	110.6	M79 T80 Q199	T65-M79 CarbonylContact O-C 3.36Å; T65-M79 WeakPolarHBondContact O-CA 3.1Å; T65-T80 PolarHBondContact N-O 2.8Å; T65-T80 PolarHBondContact O-N 2.81Å; T65-T80 WeakPolarHBondContact OG1-CB 3.5Å; T65-Q199 CarbonylContact C-O 3.57Å; T65-Q199 VanDerWaalsContact CA-O 3.27Å; T65-Q199 WeakPolarHBondContact CA-O 3.45Å; T65-Q199 HydrophobicContact CG2-CB 4.28Å
66	V	96.8	Very high	87	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	111.5	174.5	-173.5	0	0	0	0	108.1	T77 M79 I187 V189 Q199 I200 S201	V66-T77 HydrophobicContact CG1-CG2 3.84Å; V66-M79 HydrophobicContact CB-CE 4.46Å; V66-M79 HydrophobicContact CB-CG 4.48Å; V66-M79 HydrophobicContact CG1-CE 3.83Å; V66-M79 HydrophobicContact CG1-CG 3.97Å; V66-M79 HydrophobicContact CG2-CE 3.76Å; V66-M79 HydrophobicContact CG2-CG 4.11Å; V66-I187 HydrophobicContact CB-CG2 4.49Å; V66-I187 HydrophobicContact CG1-CD1 4.1Å; V66-I187 HydrophobicContact CG1-CG2 3.88Å; V66-I187 HydrophobicContact CG2-CG2 4.38Å; V66-V189 HydrophobicContact CG2-CG1 4.4Å; V66-Q199 PolarHBondContact N-O 3.28Å; V66-I200 HydrophobicContact CB-CG1 4.26Å; V66-I200 HydrophobicContact CB-CG2 4.45Å; V66-I200 HydrophobicContact CG2-CG1 4.34Å; V66-I200 CarbonylContact O-C 3.6Å; V66-I200 WeakPolarHBondContact O-CA 3.39Å; V66-S201 PolarHBondContact O-N 2.88Å
67	D	95.9	Very high	89.4	Confident	61 Å²	61	24.3 Å²	24.3	33%	0.326	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.5	178	-66.6	-72.5	0	0	0	108.8	T77 V78 S201	D67-T77 CarbonylContact O-C 3.51Å; D67-T77 WeakPolarHBondContact O-CA 3.39Å; D67-V78 PolarHBondContact N-O 3.2Å; D67-V78 PolarHBondContact O-N 3.22Å; D67-S201 WeakPolarHBondContact CA-O 3.16Å; D67-S201 WeakPolarHBondContact OD1-CB 3.31Å
68	C	95.9	Very high	91.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.6	177.6	-176.3	0	0	0	0	109.5	H76 T77 I187 S201 T202 N203	C68-H76 WeakPolarHBondContact CA-O 3.34Å; C68-T77 HydrophobicContact CB-CG2 4.29Å; C68-T77 PolarHBondContact SG-OG1 2.99Å; C68-I187 HydrophobicContact CB-CD1 4.27Å; C68-S201 PolarHBondContact N-O 2.89Å; C68-T202 HydrophobicContact CB-CG2 3.98Å; C68-T202 CarbonylContact O-C 3.54Å; C68-T202 WeakPolarHBondContact O-CA 3.49Å; C68-N203 PolarHBondContact O-N 2.84Å
69	T	93.5	Very high	92.3	Very high	30 Å²	30	19.4 Å²	19.4	18%	0.184	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123	173.9	-54.3	0	0	0	0	109.5	H76 N203 I565	T69-H76 PolarHBondContact N-O 2.86Å; T69-H76 PolarHBondContact O-N 2.9Å; T69-N203 CarbonylContact C-O 3.59Å; T69-N203 WeakPolarHBondContact CA-O 3.37Å; T69-N203 HydrophobicContact CG2-CB 4.27Å; T69-I565 HydrophobicContact CG2-CG2 3.5Å
70	V	93.1	Very high	93.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.8	179.9	-173.8	0	0	0	0	109	F74 A75 L176 I185 N203 I204 Y205 Y267	V70-F74 WeakPolarHBondContact CA-O 3.46Å; V70-A75 HydrophobicContact CG2-CB 3.86Å; V70-L176 HydrophobicContact CG1-CD1 3.87Å; V70-L176 HydrophobicContact CG2-CD1 4.35Å; V70-I185 HydrophobicContact CG2-CD1 3.62Å; V70-I185 HydrophobicContact CG2-CG1 4.47Å; V70-N203 PolarHBondContact N-O 2.75Å; V70-I204 HydrophobicContact CB-CB 4.49Å; V70-I204 HydrophobicContact CB-CG1 4.3Å; V70-I204 HydrophobicContact CB-CG2 4.32Å; V70-I204 HydrophobicContact CG2-CG1 4.35Å; V70-Y205 PolarHBondContact O-N 3.28Å; V70-Y267 WeakPolarHBondContact CG1-OH 3.32Å
71	T	88.1	Confident	93.5	Very high	2 Å²	2	17 Å²	17	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	121.9	172.9	-63.8	0	0	0	0	108.3	R73 F74 Y205 W555 F569	T71-R73 VanDerWaalsContact C-N 3.34Å; T71-R73 PolarHBondContact O-N 3.11Å; T71-F74 PolarHBondContact N-O 3.01Å; T71-F74 WeakPolarHBondContact O-CB 3.36Å; T71-F74 PolarHBondContact O-N 3.45Å; T71-Y205 WeakPolarHBondContact CA-O 3.5Å; T71-Y205 HydrophobicContact CG2-CD1 4.26Å; T71-W555 HydrophobicContact CG2-CH2 4.35Å; T71-F569 HydrophobicContact CG2-CE2 4.23Å; T71-F569 HydrophobicContact CG2-CZ 4.2Å
72	N	88.2	Confident	93.7	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	51.8	-178.4	-60.8	-50.3	0	0	0	112.8	F74 Y205 E206 P207 Q279 F288 F569	N72-F74 PolarHBondContact O-N 2.87Å; N72-Y205 PolarHBondContact N-O 3.21Å; N72-E206 WeakPolarHBondContact CA-OE2 3.38Å; N72-P207 WeakPolarHBondContact OD1-CD 3.17Å; N72-P207 VanDerWaalsContact OD1-CG 3.26Å; N72-P207 WeakPolarHBondContact OD1-CG 3.33Å; N72-Q279 VanDerWaalsContact CG-NE2 3.34Å; N72-Q279 PolarHBondContact ND2-OE1 2.83Å; N72-Q279 PolarHBondContact OD1-NE2 3.4Å; N72-Q279 PolarHBondContact OD1-OE1 3.21Å; N72-F288 HydrophobicContact CB-CE2 4.3Å; N72-F288 HydrophobicContact CB-CZ 4.32Å; N72-F288 VanDerWaalsContact O-CZ 3.3Å; N72-F288 WeakPolarHBondContact O-CZ 3.42Å; N72-F569 HydrophobicContact CB-CE2 4.39Å; N72-F569 WeakPolarHBondContact ND2-CZ 3.35Å
73	R	93.4	Very high	93.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	1.5	-177.4	-57.3	68.2	161.2	179.7	-18.6	114.7	T71 L175 L176 Y183 E206 F288 E516	T71-R73 VanDerWaalsContact C-N 3.34Å; T71-R73 PolarHBondContact O-N 3.11Å; R73-L175 HydrophobicContact CB-CD1 4.19Å; R73-L176 HydrophobicContact CB-CB 4.32Å; R73-L176 WeakPolarHBondContact O-CB 3.42Å; R73-L176 WeakPolarHBondContact O-CG 3.23Å; R73-L176 PolarHBondContact O-N 3.07Å; R73-Y183 HydrophobicContact CB-CE1 4.29Å; R73-Y183 HydrophobicContact CG-CD1 3.98Å; R73-Y183 HydrophobicContact CG-CE1 3.39Å; R73-Y183 HydrophobicContact CG-CE2 4.06Å; R73-Y183 VanDerWaalsContact CG-CZ 3.45Å; R73-Y183 PolarHBondContact NE-OH 3.46Å; R73-E206 WeakPolarHBondContact CD-OE1 3.38Å; R73-E206 WeakPolarHBondContact CD-OE2 3.41Å; R73-E206 IonicContact CZ-OE2 2.66Å; R73-E206 PolarHBondContact N-OE1 3.32Å; R73-E206 IonicContact NE-OE2 3.94Å; R73-E206 IonicContact NH1-OE2 3.16Å; R73-E206 PolarHBondContact NH1-OE2 3.42Å; R73-F288 HydrophobicContact CB-CE1 4.2Å; R73-F288 HydrophobicContact CG-CE1 4.23Å; R73-E516 IonicContact NH2-OE1 3.9Å
74	F	93.4	Very high	93.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.9	175.1	-163.8	-110.2	0	0	0	109.4	V70 T71 N72 E173 E174 L175 F566 R572 L573 Y576	V70-F74 WeakPolarHBondContact CA-O 3.46Å; T71-F74 PolarHBondContact N-O 3.01Å; T71-F74 WeakPolarHBondContact O-CB 3.36Å; T71-F74 PolarHBondContact O-N 3.45Å; N72-F74 PolarHBondContact O-N 2.87Å; F74-E173 HydrophobicContact CE1-CB 4.07Å; F74-E173 HydrophobicContact CE1-CG 4.21Å; F74-E173 HydrophobicContact CE2-CB 4.45Å; F74-E173 HydrophobicContact CZ-CB 3.71Å; F74-E173 HydrophobicContact CZ-CG 4.28Å; F74-E174 WeakPolarHBondContact CA-O 3.32Å; F74-L175 HydrophobicContact CD2-CB 4.36Å; F74-F566 HydrophobicContact CD1-CE2 4.04Å; F74-F566 HydrophobicContact CD1-CZ 4.21Å; F74-F566 HydrophobicContact CE1-CE2 4.23Å; F74-R572 HydrophobicContact CE1-CB 4.37Å; F74-R572 HydrophobicContact CZ-CB 4.36Å; F74-L573 HydrophobicContact CB-CD1 4.04Å; F74-L573 HydrophobicContact CD2-CB 4.08Å; F74-L573 HydrophobicContact CD2-CD1 4.37Å; F74-L573 HydrophobicContact CD2-CG 4Å; F74-L573 HydrophobicContact CE2-CB 4.36Å; F74-L573 HydrophobicContact CG-CB 4.37Å; F74-L573 HydrophobicContact CG-CD1 4.43Å; F74-L573 HydrophobicContact CG-CG 4.46Å; F74-Y576 HydrophobicContact CE2-CD2 4.48Å; F74-Y576 HydrophobicContact CE2-CG 4.21Å
75	A	94.3	Very high	93	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.5	-178.8	0	0	0	0	0	110.3	V70 E173 E174 L176	V70-A75 HydrophobicContact CG2-CB 3.86Å; A75-E173 CarbonylContact O-C 3.53Å; A75-E173 VanDerWaalsContact O-CA 3.25Å; A75-E173 WeakPolarHBondContact O-CA 3.39Å; A75-E174 HydrophobicContact CB-CG 3.84Å; A75-E174 PolarHBondContact N-O 3.16Å; A75-E174 PolarHBondContact O-N 3.42Å; A75-L176 HydrophobicContact CB-CD1 4.4Å; A75-L176 HydrophobicContact CB-CD2 4.19Å; A75-L176 HydrophobicContact CB-CG 4.2Å
76	H	93.4	Very high	92.6	Very high	35 Å²	35	18.7 Å²	18.7	16%	0.162	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114	172	178.9	95.4	0	0	0	108.4	C68 T69 V78 T171 E173 F566	C68-H76 WeakPolarHBondContact CA-O 3.34Å; T69-H76 PolarHBondContact N-O 2.86Å; T69-H76 PolarHBondContact O-N 2.9Å; H76-V78 WeakPolarHBondContact NE2-CG2 3.5Å; H76-T171 WeakPolarHBondContact CE1-CG2 3.35Å; H76-E173 HydrophobicContact CB-CG 4.46Å; H76-E173 IonicContact CE1-OE1 2.71Å; H76-E173 IonicContact ND1-OE1 2.73Å; H76-E173 PolarHBondContact ND1-OE1 3.35Å; H76-F566 HydrophobicContact CB-CD1 4.22Å; H76-F566 HydrophobicContact CB-CE1 3.87Å; H76-F566 HydrophobicContact CB-CZ 4.04Å
77	T	95.1	Very high	91.9	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.6	-175.5	-55.3	0	0	0	0	111	V66 D67 C68 M79 T171 Y172	V66-T77 HydrophobicContact CG1-CG2 3.84Å; D67-T77 CarbonylContact O-C 3.51Å; D67-T77 WeakPolarHBondContact O-CA 3.39Å; C68-T77 HydrophobicContact CB-CG2 4.29Å; C68-T77 PolarHBondContact SG-OG1 2.99Å; T77-M79 HydrophobicContact CG2-CG 4.34Å; T77-T171 WeakPolarHBondContact O-CA 3.42Å; T77-Y172 HydrophobicContact CG2-CE1 3.85Å; T77-Y172 HydrophobicContact CG2-CE2 4.04Å; T77-Y172 VanDerWaalsContact CG2-CZ 3.48Å; T77-Y172 WeakPolarHBondContact CG2-OH 3.3Å; T77-Y172 PolarHBondContact N-O 2.79Å; T77-Y172 PolarHBondContact O-N 3.46Å
78	V	94.9	Very high	91.2	Very high	33 Å²	33	22.5 Å²	22.5	20%	0.2	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.8	174.6	-175.3	0	0	0	0	108.7	D67 H76 I169 L170 T171	D67-V78 PolarHBondContact N-O 3.2Å; D67-V78 PolarHBondContact O-N 3.22Å; H76-V78 WeakPolarHBondContact NE2-CG2 3.5Å; V78-I169 HydrophobicContact CG1-CG2 3.88Å; V78-L170 CarbonylContact C-O 3.49Å; V78-L170 WeakPolarHBondContact CA-O 3.45Å; V78-T171 HydrophobicContact CG2-CG2 4.07Å
79	M	94.9	Very high	90.2	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.054	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.4	174.3	-70.4	-173.7	144.7	0	0	109.5	T65 V66 T77 V97 I169 L170 Y172 I187	T65-M79 CarbonylContact O-C 3.36Å; T65-M79 WeakPolarHBondContact O-CA 3.1Å; V66-M79 HydrophobicContact CB-CE 4.46Å; V66-M79 HydrophobicContact CB-CG 4.48Å; V66-M79 HydrophobicContact CG1-CE 3.83Å; V66-M79 HydrophobicContact CG1-CG 3.97Å; V66-M79 HydrophobicContact CG2-CE 3.76Å; V66-M79 HydrophobicContact CG2-CG 4.11Å; T77-M79 HydrophobicContact CG2-CG 4.34Å; M79-V97 HydrophobicContact CE-CG1 4.38Å; M79-V97 HydrophobicContact SD-CB 4.43Å; M79-V97 HydrophobicContact SD-CG1 3.3Å; M79-V97 WeakPolarHBondContact SD-CG1 3.48Å; M79-V97 HydrophobicContact SD-CG2 4.24Å; M79-I169 CarbonylContact O-C 3.56Å; M79-I169 WeakPolarHBondContact O-CA 3.08Å; M79-L170 HydrophobicContact CB-CB 4.47Å; M79-L170 PolarHBondContact N-O 3.09Å; M79-L170 PolarHBondContact O-N 3.12Å; M79-Y172 HydrophobicContact CG-CE1 4.19Å; M79-Y172 HydrophobicContact SD-CE1 3.93Å; M79-I187 HydrophobicContact CE-CG2 3.86Å
80	T	94.9	Very high	89.1	Confident	29 Å²	29	28.1 Å²	28.1	18%	0.178	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.8	177	-53	0	0	0	0	110.1	V64 T65 T167 F168 I169	V64-T80 CarbonylContact C-O 3.57Å; V64-T80 WeakPolarHBondContact CA-O 3.47Å; T65-T80 PolarHBondContact N-O 2.8Å; T65-T80 PolarHBondContact O-N 2.81Å; T65-T80 WeakPolarHBondContact OG1-CB 3.5Å; T80-T167 HydrophobicContact CG2-CG2 3.77Å; T80-F168 CarbonylContact C-O 3.48Å; T80-F168 VanDerWaalsContact CA-O 3.24Å; T80-F168 WeakPolarHBondContact CA-O 3.34Å; T80-I169 HydrophobicContact CG2-CG1 4.1Å
81	S	93.5	Very high	87.9	Confident	18 Å²	18	31.8 Å²	31.8	13%	0.126	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129	176.7	-174.1	0	0	0	0	110.3	S63 T167 F168	S63-S81 CarbonylContact O-C 3.52Å; S63-S81 VanDerWaalsContact O-CA 3.32Å; S63-S81 WeakPolarHBondContact O-CA 3.41Å; S81-T167 CarbonylContact O-C 3.56Å; S81-T167 WeakPolarHBondContact O-CA 3.25Å; S81-F168 PolarHBondContact N-O 2.92Å; S81-F168 PolarHBondContact O-N 2.82Å
82	V	92.8	Very high	87.1	Confident	23 Å²	23	36 Å²	36	14%	0.139	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.9	175.6	-175.8	0	0	0	0	109.3	V61 L62 S63 V166 T167	V61-V82 CarbonylContact C-O 3.52Å; L62-V82 HydrophobicContact CB-CB 4.37Å; L62-V82 HydrophobicContact CB-CG1 4.26Å; L62-V82 HydrophobicContact CD1-CG1 4.12Å; L62-V82 PolarHBondContact N-O 2.98Å; S63-V82 PolarHBondContact N-O 2.9Å; S63-V82 PolarHBondContact O-N 2.98Å; S63-V82 WeakPolarHBondContact OG-CB 3.43Å; S63-V82 VanDerWaalsContact OG-CG2 3.22Å; S63-V82 WeakPolarHBondContact OG-CG2 3.47Å; V82-V166 CarbonylContact C-O 3.5Å; V82-V166 WeakPolarHBondContact CA-O 3.32Å; V82-T167 HydrophobicContact CG2-CG2 3.9Å
83	A	90	Very high	86.5	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.033	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.5	175.9	0	0	0	0	0	111.1	V59 E60 I93 N165 V166	V59-A83 HydrophobicContact CG1-CB 4.47Å; E60-A83 CarbonylContact O-C 3.39Å; E60-A83 VanDerWaalsContact O-CA 3.32Å; E60-A83 WeakPolarHBondContact O-CA 3.47Å; A83-I93 HydrophobicContact CB-CD1 4.32Å; A83-I93 HydrophobicContact CB-CG2 4.36Å; A83-N165 CarbonylContact O-C 3.53Å; A83-N165 WeakPolarHBondContact O-CA 3.17Å; A83-N165 WeakPolarHBondContact O-CB 3.43Å; A83-V166 HydrophobicContact CB-CG1 4.06Å; A83-V166 PolarHBondContact N-O 3.08Å; A83-V166 PolarHBondContact O-N 3.12Å
84	L	89.1	Confident	85.7	Confident	43 Å²	43	40.2 Å²	40.2	23%	0.225	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.1	178.3	175.3	65.9	0	0	0	109.9	V59 E60 L62 K86 N165	V59-L84 CarbonylContact C-O 3.52Å; V59-L84 WeakPolarHBondContact CA-O 3.44Å; E60-L84 PolarHBondContact N-O 3.04Å; E60-L84 PolarHBondContact O-N 3.38Å; L62-L84 HydrophobicContact CD1-CB 3.88Å; L62-L84 HydrophobicContact CD2-CB 4.4Å; L62-L84 HydrophobicContact CG-CB 4.03Å; L84-K86 HydrophobicContact CD2-CG 4.09Å; L84-K86 HydrophobicContact CG-CG 4.23Å; L84-K86 PolarHBondContact O-N 3.47Å; L84-N165 HydrophobicContact CD1-CB 4.2Å
85	N	86.1	Confident	85.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	107.8	167.9	-178.7	15.4	0	0	0	109.4	M58 A87 T89 I160 A161 E163 S164	M58-N85 PolarHBondContact O-OD1 3.22Å; N85-A87 VanDerWaalsContact OD1-CB 3.31Å; N85-A87 WeakPolarHBondContact OD1-CB 3.44Å; N85-A87 PolarHBondContact OD1-N 2.81Å; N85-T89 PolarHBondContact ND2-O 2.87Å; N85-I160 HydrophobicContact CB-CG2 4.09Å; N85-I160 PolarHBondContact ND2-O 3.28Å; N85-A161 PolarHBondContact ND2-O 3.07Å; N85-E163 CarbonylContact O-C 3.43Å; N85-E163 WeakPolarHBondContact O-CA 3.33Å; N85-E163 PolarHBondContact O-N 3.29Å; N85-S164 PolarHBondContact N-O 3.07Å; N85-S164 PolarHBondContact O-N 2.74Å
86	K	86.6	Confident	84.5	Confident	100 Å²	100	42.5 Å²	42.5	44%	0.435	23%	0.225	S	C	.	.			trans	-85.1	-7.9	174.9	-68.7	-176.2	177	171.1	0	113.2	M58 E60 L84	M58-K86 WeakPolarHBondContact O-CA 3.38Å; M58-K86 PolarHBondContact O-N 2.95Å; E60-K86 IonicContact OE1-NZ 3.55Å; E60-K86 PolarHBondContact OE1-NZ 3.21Å; E60-K86 WeakPolarHBondContact OE2-CE 3.45Å; E60-K86 IonicContact OE2-NZ 2.78Å; E60-K86 PolarHBondContact OE2-NZ 2.94Å; L84-K86 HydrophobicContact CD2-CG 4.09Å; L84-K86 HydrophobicContact CG-CG 4.23Å; L84-K86 PolarHBondContact O-N 3.47Å
87	A	81.9	Confident	84.1	Confident	8 Å²	8	41.6 Å²	41.6	7%	0.066	22%	0.221	C	C	.	.	S	Bend	trans	-71	153.1	177.5	0	0	0	0	0	111.8	M58 N85 T89 K91 A162 E163	M58-A87 HydrophobicContact CB-CB 4Å; M58-A87 HydrophobicContact CG-CB 4.17Å; M58-A87 PolarHBondContact O-N 2.82Å; M58-A87 HydrophobicContact SD-CB 3.99Å; N85-A87 VanDerWaalsContact OD1-CB 3.31Å; N85-A87 WeakPolarHBondContact OD1-CB 3.44Å; N85-A87 PolarHBondContact OD1-N 2.81Å; A87-T89 PolarHBondContact O-N 2.82Å; A87-K91 HydrophobicContact CB-CG 4.15Å; A87-A162 VanDerWaalsContact O-CA 3.22Å; A87-A162 WeakPolarHBondContact O-CA 3.44Å; A87-A162 VanDerWaalsContact O-CB 3.24Å; A87-A162 WeakPolarHBondContact O-CB 3.42Å; A87-E163 PolarHBondContact O-N 2.84Å
88	N	81.3	Confident	83.7	Confident	135 Å²	135	42.9 Å²	42.9	72%	0.722	23%	0.228	S	C	*	.	S	Bend	trans	-77.2	5.8	170.5	-61	-8	0	0	0	112.8
89	T	76.3	Confident	83.4	Confident	80 Å²	80	41.4 Å²	41.4	49%	0.491	22%	0.218	S	C	.	.	S	Bend	trans	-129.6	158.6	177	63.6	0	0	0	0	109.7	N85 A87	N85-T89 PolarHBondContact ND2-O 2.87Å; A87-T89 PolarHBondContact O-N 2.82Å
90	S	69.8	Low	83.1	Confident	68 Å²	68	41.3 Å²	41.3	48%	0.476	22%	0.218	S	C	.	.			trans	-62.2	145.7	170.9	56.4	0	0	0	0	111	N159 I160	S90-N159 WeakPolarHBondContact CB-OD1 3.43Å; S90-I160 CarbonylContact C-O 3.36Å; S90-I160 WeakPolarHBondContact CA-O 3.23Å; S90-I160 WeakPolarHBondContact CB-O 3.18Å
91	K	68.4	Low	82.7	Confident	76 Å²	76	42.3 Å²	42.3	33%	0.33	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.4	-180	-73.2	-65.7	-173.8	177.8	0	109.9	V59 A87 N159 I160	V59-K91 HydrophobicContact CG2-CB 4.06Å; V59-K91 HydrophobicContact CG2-CG 4.42Å; A87-K91 HydrophobicContact CB-CG 4.15Å; K91-N159 PolarHBondContact N-OD1 3.47Å; K91-N159 PolarHBondContact O-OD1 3Å; K91-I160 PolarHBondContact N-O 2.71Å; K91-I160 PolarHBondContact O-N 3.33Å
92	E	70.6	Confident	82.4	Confident	91 Å²	91	43.3 Å²	43.3	43%	0.425	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.2	169.2	-166.5	179.5	-163.9	0	0	110	F94 T140 S157 V158	E92-F94 HydrophobicContact CG-CE2 4.04Å; E92-F94 HydrophobicContact CG-CZ 4.18Å; E92-T140 WeakPolarHBondContact OE1-CG2 3.28Å; E92-S157 WeakPolarHBondContact OE1-CB 3.24Å; E92-S157 PolarHBondContact OE1-OG 2.94Å; E92-V158 WeakPolarHBondContact CA-O 3.5Å
93	I	76.6	Confident	82.4	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138	178.7	-57.3	-175.3	0	0	0	108.1	V59 A83 S157 V158 I160 V166 F168	V59-I93 HydrophobicContact CG1-CD1 3.55Å; V59-I93 HydrophobicContact CG1-CG1 3.97Å; V59-I93 HydrophobicContact CG2-CD1 4.24Å; V59-I93 HydrophobicContact CG2-CG1 4.21Å; A83-I93 HydrophobicContact CB-CD1 4.32Å; A83-I93 HydrophobicContact CB-CG2 4.36Å; I93-S157 CarbonylContact O-C 3.59Å; I93-S157 VanDerWaalsContact O-CA 3.28Å; I93-S157 WeakPolarHBondContact O-CA 3.33Å; I93-V158 PolarHBondContact N-O 2.73Å; I93-V158 PolarHBondContact O-N 3.03Å; I93-I160 HydrophobicContact CB-CG1 4.44Å; I93-I160 HydrophobicContact CD1-CB 3.93Å; I93-I160 HydrophobicContact CD1-CG1 3.68Å; I93-I160 HydrophobicContact CD1-CG2 4.46Å; I93-I160 HydrophobicContact CG1-CB 4.42Å; I93-I160 HydrophobicContact CG1-CG1 4.09Å; I93-V166 HydrophobicContact CD1-CG1 4.12Å; I93-F168 HydrophobicContact CG2-CE2 4.34Å
94	F	76.6	Confident	82.5	Confident	76 Å²	76	42.1 Å²	42.1	33%	0.333	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.3	177.7	-65.2	-97.2	0	0	0	110.1	L30 E92 V156	L30-F94 HydrophobicContact CD2-CB 3.89Å; L30-F94 HydrophobicContact CG-CB 4.31Å; E92-F94 HydrophobicContact CG-CE2 4.04Å; E92-F94 HydrophobicContact CG-CZ 4.18Å; F94-V156 CarbonylContact C-O 3.53Å; F94-V156 WeakPolarHBondContact CA-O 3.43Å
95	F	81.3	Confident	82.5	Confident	11 Å²	11	40.5 Å²	40.5	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	105.8	166.7	178.7	-104.2	0	0	0	109.1	V97 F108 F154 S155 V156 F168 L170	F95-V97 HydrophobicContact CD1-CG2 4.33Å; F95-V97 HydrophobicContact CD2-CG2 4.49Å; F95-V97 HydrophobicContact CE1-CB 4.46Å; F95-V97 HydrophobicContact CE1-CG2 3.58Å; F95-V97 HydrophobicContact CE2-CG2 3.76Å; F95-V97 HydrophobicContact CZ-CB 4.5Å; F95-V97 HydrophobicContact CZ-CG2 3.26Å; F95-F108 AromaticContact CD1-CE2 3.63Å; F95-F108 HydrophobicContact CD1-CE2 3.63Å; F95-F108 HydrophobicContact CD1-CZ 4.17Å; F95-F108 HydrophobicContact CE1-CD2 4.28Å; F95-F108 AromaticContact CE1-CE2 3.65Å; F95-F108 HydrophobicContact CE1-CE2 3.65Å; F95-F154 HydrophobicContact CD1-CD1 4.02Å; F95-F154 AromaticContact CD1-CE1 3.91Å; F95-F154 HydrophobicContact CD1-CE1 3.91Å; F95-F154 HydrophobicContact CE1-CD1 4.01Å; F95-F154 HydrophobicContact CE1-CE1 4.01Å; F95-S155 WeakPolarHBondContact O-CA 3.13Å; F95-V156 PolarHBondContact N-O 2.8Å; F95-V156 PolarHBondContact O-N 3.21Å; F95-F168 HydrophobicContact CB-CB 4.32Å; F95-F168 HydrophobicContact CB-CD1 3.71Å; F95-F168 HydrophobicContact CB-CD2 3.83Å; F95-F168 HydrophobicContact CB-CE1 3.85Å; F95-F168 HydrophobicContact CB-CE2 3.95Å; F95-F168 HydrophobicContact CB-CG 3.68Å; F95-F168 HydrophobicContact CB-CZ 3.96Å; F95-F168 HydrophobicContact CD1-CB 4.08Å; F95-F168 HydrophobicContact CD1-CD1 4.44Å; F95-F168 HydrophobicContact CD1-CG 4.31Å; F95-F168 HydrophobicContact CD2-CB 3.45Å; F95-F168 VanDerWaalsContact CD2-CB 3.45Å; F95-F168 HydrophobicContact CD2-CD1 4.43Å; F95-F168 AromaticContact CD2-CD2 3.73Å; F95-F168 HydrophobicContact CD2-CD2 3.73Å; F95-F168 AromaticContact CD2-CG 3.63Å; F95-F168 HydrophobicContact CD2-CG 3.63Å; F95-F168 HydrophobicContact CE1-CB 4.22Å; F95-F168 HydrophobicContact CE2-CB 3.61Å; F95-F168 HydrophobicContact CE2-CG 4.31Å; F95-F168 HydrophobicContact CG-CB 3.68Å; F95-F168 AromaticContact CG-CD1 3.95Å; F95-F168 HydrophobicContact CG-CD1 3.95Å; F95-F168 AromaticContact CG-CD2 3.98Å; F95-F168 HydrophobicContact CG-CD2 3.98Å; F95-F168 AromaticContact CG-CG 3.6Å; F95-F168 HydrophobicContact CG-CG 3.6Å; F95-F168 HydrophobicContact CZ-CB 3.97Å; F95-L170 HydrophobicContact CE1-CB 4Å; F95-L170 HydrophobicContact CE1-CD2 4.35Å; F95-L170 HydrophobicContact CZ-CB 4.11Å
96	D	80.4	Confident	82.7	Confident	37 Å²	37	41.4 Å²	41.4	20%	0.198	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.3	-175.1	-74.2	6.6	0	0	0	110.1	L30 K153 F154 S155	L30-D96 HydrophobicContact CD1-CB 3.55Å; L30-D96 VanDerWaalsContact CD1-CG 3.49Å; L30-D96 WeakPolarHBondContact CD1-OD2 3.28Å; L30-D96 HydrophobicContact CD2-CB 3.7Å; L30-D96 HydrophobicContact CG-CB 4.08Å; L30-D96 VanDerWaalsContact CG-OD2 3.31Å; L30-D96 WeakPolarHBondContact CG-OD2 3.49Å; D96-K153 VanDerWaalsContact CG-CE 3.44Å; D96-K153 WeakPolarHBondContact OD2-CE 3.25Å; D96-K153 IonicContact OD2-NZ 3.23Å; D96-K153 PolarHBondContact OD2-NZ 2.86Å; D96-F154 CarbonylContact C-O 3.43Å; D96-F154 VanDerWaalsContact CA-O 3.27Å; D96-F154 WeakPolarHBondContact CA-O 3.27Å; D96-S155 WeakPolarHBondContact OD1-CA 3.18Å; D96-S155 WeakPolarHBondContact OD1-CB 3.29Å; D96-S155 PolarHBondContact OD1-OG 2.84Å
97	V	84.4	Confident	82.8	Confident	15 Å²	15	39.7 Å²	39.7	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	-178.9	172.1	0	0	0	0	109.6	M79 F95 K153 F154 L170	M79-V97 HydrophobicContact CE-CG1 4.38Å; M79-V97 HydrophobicContact SD-CB 4.43Å; M79-V97 HydrophobicContact SD-CG1 3.3Å; M79-V97 WeakPolarHBondContact SD-CG1 3.48Å; M79-V97 HydrophobicContact SD-CG2 4.24Å; F95-V97 HydrophobicContact CD1-CG2 4.33Å; F95-V97 HydrophobicContact CD2-CG2 4.49Å; F95-V97 HydrophobicContact CE1-CB 4.46Å; F95-V97 HydrophobicContact CE1-CG2 3.58Å; F95-V97 HydrophobicContact CE2-CG2 3.76Å; F95-V97 HydrophobicContact CZ-CB 4.5Å; F95-V97 HydrophobicContact CZ-CG2 3.26Å; V97-K153 CarbonylContact O-C 3.5Å; V97-K153 VanDerWaalsContact O-CA 3.32Å; V97-K153 WeakPolarHBondContact O-CA 3.35Å; V97-F154 PolarHBondContact N-O 3.49Å; V97-F154 PolarHBondContact O-N 3.4Å; V97-L170 HydrophobicContact CB-CD2 3.94Å; V97-L170 HydrophobicContact CG1-CD2 3.81Å; V97-L170 HydrophobicContact CG2-CD2 4.28Å
98	E	86.9	Confident	83.1	Confident	29 Å²	29	39.3 Å²	39.3	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.8	168.4	-67.3	-172.6	-162	0	0	109.6	S147 M151 E152 K153 R188	E98-S147 PolarHBondContact OE1-OG 2.88Å; E98-S147 PolarHBondContact OE2-OG 2.87Å; E98-M151 HydrophobicContact CB-CB 4.13Å; E98-M151 HydrophobicContact CB-CE 4.42Å; E98-M151 WeakPolarHBondContact O-CE 3.18Å; E98-E152 CarbonylContact C-O 3.4Å; E98-E152 VanDerWaalsContact CA-O 3.26Å; E98-E152 WeakPolarHBondContact CA-O 3.39Å; E98-K153 HydrophobicContact CG-CB 4.26Å; E98-K153 HydrophobicContact CG-CG 4.45Å; E98-R188 HydrophobicContact CB-CB 4.25Å; E98-R188 HydrophobicContact CB-CG 4.25Å; E98-R188 VanDerWaalsContact CD-CD 3.48Å; E98-R188 WeakPolarHBondContact OE2-CD 3.16Å; E98-R188 IonicContact OE2-CZ 2.83Å; E98-R188 IonicContact OE2-NE 3.96Å; E98-R188 IonicContact OE2-NH1 3.7Å; E98-R188 PolarHBondContact OE2-NH1 2.88Å
99	L	88.7	Confident	83.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.8	179.7	60.5	123.9	0	0	0	111.4	A103 I105 M151 E152 F154 L170 Y172	L99-A103 HydrophobicContact CD1-CB 4.05Å; L99-I105 HydrophobicContact CD1-CD1 4.49Å; L99-I105 HydrophobicContact CD1-CG1 4.06Å; L99-I105 HydrophobicContact CD2-CD1 4.09Å; L99-I105 HydrophobicContact CD2-CG1 4.27Å; L99-M151 CarbonylContact O-C 3.41Å; L99-M151 WeakPolarHBondContact O-CA 3.44Å; L99-M151 WeakPolarHBondContact O-CB 3.37Å; L99-E152 PolarHBondContact N-O 3.08Å; L99-E152 PolarHBondContact O-N 3.24Å; L99-F154 HydrophobicContact CD2-CB 3.75Å; L99-L170 HydrophobicContact CD2-CD2 4.4Å; L99-Y172 HydrophobicContact CB-CD1 4.29Å; L99-Y172 HydrophobicContact CB-CD2 4.49Å; L99-Y172 HydrophobicContact CB-CE1 4.19Å; L99-Y172 HydrophobicContact CB-CE2 4.38Å; L99-Y172 HydrophobicContact CB-CG 4.42Å
100	P	90	Very high	83.8	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.058	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	142.6	178.5	-25.2	35.6	0	0	0	113.4	S102 A103 M151 E174	P100-S102 WeakPolarHBondContact CB-OG 3.45Å; P100-S102 PolarHBondContact O-N 2.83Å; P100-A103 HydrophobicContact CB-CB 4.4Å; P100-A103 WeakPolarHBondContact O-CB 3.33Å; P100-A103 PolarHBondContact O-N 2.98Å; P100-M151 HydrophobicContact CB-SD 4.37Å; P100-M151 HydrophobicContact CG-CE 4.46Å; P100-M151 HydrophobicContact CG-SD 4.13Å; P100-E174 VanDerWaalsContact CB-OE2 3.26Å; P100-E174 WeakPolarHBondContact CB-OE2 3.45Å
101	K	85.3	Confident	84.7	Confident	50 Å²	50	30.1 Å²	30.1	22%	0.217	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.1	175.5	-77.5	176.1	176.3	-179.8	0	113.5	A103 R149 K150 M151 E152 K636 R642	K101-A103 VanDerWaalsContact C-N 3.26Å; K101-R149 WeakPolarHBondContact CD-O 3.49Å; K101-R149 VanDerWaalsContact CE-O 3.24Å; K101-R149 WeakPolarHBondContact CE-O 3.19Å; K101-R149 PolarHBondContact NZ-O 3.08Å; K101-K150 PolarHBondContact N-O 2.83Å; K101-M151 WeakPolarHBondContact CE-O 3.39Å; K101-E152 HydrophobicContact CB-CG 4.4Å; K101-E152 HydrophobicContact CG-CG 3.58Å; K101-K636 WeakPolarHBondContact O-CE 3.28Å; K101-K636 PolarHBondContact O-NZ 2.79Å; K101-R642 VanDerWaalsContact NZ-NH1 3.1Å
102	S	88	Confident	85.2	Confident	40 Å²	40	26.7 Å²	26.7	28%	0.28	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-39	172.2	30.6	0	0	0	0	111	P100 E174 Y576	P100-S102 WeakPolarHBondContact CB-OG 3.45Å; P100-S102 PolarHBondContact O-N 2.83Å; S102-E174 PolarHBondContact OG-OE2 2.99Å; S102-Y576 WeakPolarHBondContact O-CE2 3.47Å; S102-Y576 PolarHBondContact O-OH 3.41Å
103	A	91.9	Very high	85.4	Confident	1 Å²	1	28 Å²	28	1%	0.008	14%	0.142	C	C	.	.			trans	-66.5	147.6	-171.7	0	0	0	0	0	113.4	L99 P100 K101 Y172 E173 E174 K636	L99-A103 HydrophobicContact CD1-CB 4.05Å; P100-A103 HydrophobicContact CB-CB 4.4Å; P100-A103 WeakPolarHBondContact O-CB 3.33Å; P100-A103 PolarHBondContact O-N 2.98Å; K101-A103 VanDerWaalsContact C-N 3.26Å; A103-Y172 HydrophobicContact CB-CD2 3.69Å; A103-Y172 HydrophobicContact CB-CE2 4.47Å; A103-Y172 HydrophobicContact CB-CG 4.35Å; A103-E173 CarbonylContact C-O 3.54Å; A103-E173 VanDerWaalsContact CA-O 3.24Å; A103-E173 WeakPolarHBondContact CA-O 3.43Å; A103-E174 HydrophobicContact CB-CB 3.98Å; A103-K636 PolarHBondContact O-NZ 2.81Å
104	F	91.6	Very high	85.3	Confident	1 Å²	1	30 Å²	30	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131	164.5	-66.2	-40.2	0	0	0	109.1	Y172 E173 Y576 I579 Q580 L583 F610 V611 T612 K636	F104-Y172 VanDerWaalsContact O-CA 3.3Å; F104-Y172 WeakPolarHBondContact O-CA 3.24Å; F104-Y172 WeakPolarHBondContact O-CB 3.43Å; F104-E173 PolarHBondContact N-O 3.38Å; F104-E173 PolarHBondContact O-N 3.13Å; F104-Y576 AromaticContact CD2-CD2 3.38Å; F104-Y576 HydrophobicContact CD2-CD2 3.38Å; F104-Y576 AromaticContact CD2-CE2 3.64Å; F104-Y576 HydrophobicContact CD2-CE2 3.64Å; F104-Y576 HydrophobicContact CD2-CG 4.37Å; F104-Y576 AromaticContact CE2-CD2 3.68Å; F104-Y576 HydrophobicContact CE2-CD2 3.68Å; F104-Y576 AromaticContact CE2-CE2 3.85Å; F104-Y576 HydrophobicContact CE2-CE2 3.85Å; F104-Y576 HydrophobicContact CE2-CG 4.37Å; F104-Y576 HydrophobicContact CG-CD2 4.3Å; F104-Y576 HydrophobicContact CG-CE2 4.24Å; F104-I579 HydrophobicContact CE2-CB 4.47Å; F104-I579 HydrophobicContact CE2-CG2 3.98Å; F104-I579 HydrophobicContact CZ-CG2 4.04Å; F104-Q580 HydrophobicContact CE2-CG 4.11Å; F104-Q580 HydrophobicContact CZ-CG 4.01Å; F104-L583 HydrophobicContact CZ-CD1 4.2Å; F104-F610 HydrophobicContact CB-CB 4.07Å; F104-F610 HydrophobicContact CB-CD1 3.4Å; F104-F610 HydrophobicContact CB-CE1 4.09Å; F104-F610 HydrophobicContact CB-CG 4Å; F104-F610 HydrophobicContact CD2-CB 4.13Å; F104-F610 AromaticContact CD2-CD1 3.92Å; F104-F610 HydrophobicContact CD2-CD1 3.92Å; F104-F610 HydrophobicContact CD2-CD2 4.36Å; F104-F610 HydrophobicContact CD2-CE1 4.37Å; F104-F610 AromaticContact CD2-CG 3.9Å; F104-F610 HydrophobicContact CD2-CG 3.9Å; F104-F610 HydrophobicContact CG-CB 4.22Å; F104-F610 HydrophobicContact CG-CD1 4.09Å; F104-F610 HydrophobicContact CG-CG 4.28Å; F104-V611 VanDerWaalsContact CD1-O 3.29Å; F104-V611 WeakPolarHBondContact CD1-O 3.25Å; F104-T612 HydrophobicContact CD1-CG2 4.02Å; F104-T612 HydrophobicContact CD2-CG2 4.42Å; F104-T612 HydrophobicContact CE1-CG2 3.83Å; F104-T612 HydrophobicContact CE2-CG2 4.28Å; F104-T612 HydrophobicContact CG-CG2 4.33Å; F104-T612 HydrophobicContact CZ-CG2 3.98Å; F104-K636 HydrophobicContact CD1-CD 3.9Å; F104-K636 HydrophobicContact CE1-CD 3.91Å
105	I	90.6	Very high	85.3	Confident	8 Å²	8	31.9 Å²	31.9	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.6	170.4	-59.4	167.2	0	0	0	107.4	L99 F154 L170 V611 M617	L99-I105 HydrophobicContact CD1-CD1 4.49Å; L99-I105 HydrophobicContact CD1-CG1 4.06Å; L99-I105 HydrophobicContact CD2-CD1 4.09Å; L99-I105 HydrophobicContact CD2-CG1 4.27Å; I105-F154 HydrophobicContact CD1-CD2 3.43Å; I105-F154 VanDerWaalsContact CD1-CD2 3.43Å; I105-F154 HydrophobicContact CD1-CE2 3.92Å; I105-F154 HydrophobicContact CD1-CG 4.36Å; I105-L170 HydrophobicContact CD1-CD1 4.44Å; I105-L170 HydrophobicContact CG1-CD1 4.37Å; I105-L170 HydrophobicContact CG2-CD1 3.69Å; I105-V611 HydrophobicContact CB-CB 4Å; I105-V611 HydrophobicContact CB-CG2 3.91Å; I105-V611 HydrophobicContact CG2-CG2 4.23Å; I105-V611 WeakPolarHBondContact O-CG2 2.84Å; I105-V611 PolarHBondContact O-N 3.07Å; I105-M617 HydrophobicContact CG2-CE 3.92Å; I105-M617 HydrophobicContact CG2-SD 4.39Å
106	T	89.3	Confident	85.3	Confident	20 Å²	20	35.5 Å²	35.5	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-31.2	-178	54.4	0	0	0	0	112.3	T171 E173 S609 F610	T106-T171 PolarHBondContact N-O 3.4Å; T106-T171 WeakPolarHBondContact OG1-CG2 3.47Å; T106-T171 PolarHBondContact OG1-O 2.76Å; T106-E173 HydrophobicContact CG2-CB 4.22Å; T106-E173 HydrophobicContact CG2-CG 3.87Å; T106-E173 WeakPolarHBondContact CG2-OE2 3.05Å; T106-S609 WeakPolarHBondContact CA-O 3.4Å; T106-F610 HydrophobicContact CG2-CD1 3.52Å; T106-F610 HydrophobicContact CG2-CE1 3.41Å; T106-F610 VanDerWaalsContact CG2-CE1 3.41Å
107	N	88.8	Confident	85.2	Confident	63 Å²	63	35 Å²	35	34%	0.337	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.3	177	-162.2	-20.7	0	0	0	110.1	T171	N107-T171 PolarHBondContact N-O 3.18Å; N107-T171 PolarHBondContact O-N 3.33Å
108	F	88.9	Confident	85.1	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.1	161.7	173	-108.1	0	0	0	107.9	F95 G119 F154 V156 F168 I169 L170 M617 V619	F95-F108 AromaticContact CD1-CE2 3.63Å; F95-F108 HydrophobicContact CD1-CE2 3.63Å; F95-F108 HydrophobicContact CD1-CZ 4.17Å; F95-F108 HydrophobicContact CE1-CD2 4.28Å; F95-F108 AromaticContact CE1-CE2 3.65Å; F95-F108 HydrophobicContact CE1-CE2 3.65Å; F108-G119 WeakPolarHBondContact O-CA 3.45Å; F108-G119 PolarHBondContact O-N 2.87Å; F108-F154 HydrophobicContact CB-CZ 3.99Å; F108-F154 HydrophobicContact CD1-CE1 4.25Å; F108-F154 AromaticContact CD1-CZ 3.69Å; F108-F154 HydrophobicContact CD1-CZ 3.69Å; F108-F154 AromaticContact CD2-CE1 3.61Å; F108-F154 HydrophobicContact CD2-CE1 3.61Å; F108-F154 AromaticContact CD2-CZ 3.62Å; F108-F154 HydrophobicContact CD2-CZ 3.62Å; F108-F154 HydrophobicContact CE1-CE1 4.22Å; F108-F154 HydrophobicContact CE1-CZ 4.02Å; F108-F154 AromaticContact CE2-CE1 3.56Å; F108-F154 HydrophobicContact CE2-CE1 3.56Å; F108-F154 AromaticContact CE2-CZ 3.96Å; F108-F154 HydrophobicContact CE2-CZ 3.96Å; F108-F154 AromaticContact CG-CE1 3.96Å; F108-F154 HydrophobicContact CG-CE1 3.96Å; F108-F154 HydrophobicContact CG-CE2 4.47Å; F108-F154 AromaticContact CG-CZ 3.48Å; F108-F154 HydrophobicContact CG-CZ 3.48Å; F108-F154 VanDerWaalsContact CG-CZ 3.48Å; F108-F154 AromaticContact CZ-CE1 3.88Å; F108-F154 HydrophobicContact CZ-CE1 3.88Å; F108-F154 HydrophobicContact CZ-CZ 4.14Å; F108-V156 HydrophobicContact CE1-CB 4.32Å; F108-V156 HydrophobicContact CE1-CG1 4.06Å; F108-V156 HydrophobicContact CE1-CG2 3.78Å; F108-V156 HydrophobicContact CZ-CB 4.04Å; F108-V156 HydrophobicContact CZ-CG1 3.94Å; F108-V156 HydrophobicContact CZ-CG2 3.86Å; F108-F168 HydrophobicContact CE2-CB 4.31Å; F108-F168 HydrophobicContact CE2-CD1 4.3Å; F108-F168 AromaticContact CZ-CD1 3.95Å; F108-F168 HydrophobicContact CZ-CD1 3.95Å; F108-I169 CarbonylContact C-O 3.56Å; F108-I169 VanDerWaalsContact CA-O 3.27Å; F108-I169 WeakPolarHBondContact CA-O 3.46Å; F108-I169 VanDerWaalsContact CD2-O 3.3Å; F108-I169 WeakPolarHBondContact CD2-O 3.42Å; F108-L170 HydrophobicContact CB-CD1 4.03Å; F108-L170 HydrophobicContact CD2-CB 4.06Å; F108-L170 HydrophobicContact CD2-CD1 4.04Å; F108-L170 HydrophobicContact CG-CD1 4.42Å; F108-M617 HydrophobicContact CB-SD 3.51Å; F108-M617 VanDerWaalsContact CB-SD 3.51Å; F108-M617 PolarHBondContact N-SD 3.23Å; F108-M617 VanDerWaalsContact N-SD 3.4Å; F108-V619 HydrophobicContact CD1-CG2 3.42Å; F108-V619 VanDerWaalsContact CD1-CG2 3.42Å; F108-V619 HydrophobicContact CE1-CG2 3.75Å
109	S	87.6	Confident	84.5	Confident	13 Å²	13	36.6 Å²	36.6	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	148.9	174.5	65.9	0	0	0	0	111	Y117 I169	S109-Y117 CarbonylContact C-O 3.53Å; S109-Y117 WeakPolarHBondContact CA-O 3.42Å; S109-Y117 WeakPolarHBondContact CB-O 3.4Å; S109-I169 PolarHBondContact N-O 2.61Å; S109-I169 PolarHBondContact O-N 3.16Å
110	M	84.3	Confident	84	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.6	171.3	62.1	-178.3	-172.9	0	0	110	I112 V116 Y117 V158 T167 F168 V619 K621 L632	M110-I112 HydrophobicContact CE-CD1 4.27Å; M110-I112 HydrophobicContact SD-CD1 4.11Å; M110-V116 CarbonylContact O-C 3.55Å; M110-Y117 HydrophobicContact CE-CD2 3.8Å; M110-Y117 HydrophobicContact CE-CG 3.79Å; M110-Y117 HydrophobicContact CG-CD2 3.95Å; M110-Y117 HydrophobicContact CG-CG 4.26Å; M110-Y117 PolarHBondContact N-O 3.42Å; M110-Y117 WeakPolarHBondContact O-CD2 3.32Å; M110-Y117 PolarHBondContact O-N 2.98Å; M110-V158 HydrophobicContact SD-CG2 4.32Å; M110-T167 CarbonylContact C-O 3.57Å; M110-T167 WeakPolarHBondContact CA-O 3.42Å; M110-F168 HydrophobicContact CB-CD1 3.92Å; M110-F168 HydrophobicContact CB-CE1 4.23Å; M110-V619 HydrophobicContact CE-CG1 3.83Å; M110-V619 HydrophobicContact CG-CG1 4.34Å; M110-V619 HydrophobicContact SD-CG1 4.42Å; M110-K621 HydrophobicContact CE-CB 4.14Å; M110-L632 HydrophobicContact CE-CD1 3.73Å; M110-L632 HydrophobicContact SD-CD1 3.57Å; M110-L632 VanDerWaalsContact SD-CD1 3.57Å
111	E	87.7	Confident	83.5	Confident	75 Å²	75	41.7 Å²	41.7	35%	0.35	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120	174.3	-170.5	-176.8	165.9	0	0	109	K115 V116 V166 T167	E111-K115 CarbonylContact C-O 3.51Å; E111-K115 VanDerWaalsContact CA-O 3.25Å; E111-K115 WeakPolarHBondContact CA-O 3.45Å; E111-V116 HydrophobicContact CB-CG2 4.33Å; E111-V116 HydrophobicContact CG-CG2 4.02Å; E111-V166 CarbonylContact O-C 3.55Å; E111-V166 VanDerWaalsContact O-CA 3.26Å; E111-V166 WeakPolarHBondContact O-CA 3.14Å; E111-T167 PolarHBondContact N-O 3.16Å; E111-T167 PolarHBondContact O-N 2.92Å
112	I	80	Confident	83.2	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.4	178	-55	165	0	0	0	107	M110 G114 K115 Y117 V158 I160 V166 K621	M110-I112 HydrophobicContact CE-CD1 4.27Å; M110-I112 HydrophobicContact SD-CD1 4.11Å; I112-G114 PolarHBondContact O-N 2.85Å; I112-G114 VanDerWaalsContact O-N 3.16Å; I112-K115 PolarHBondContact N-O 2.83Å; I112-K115 PolarHBondContact O-N 2.92Å; I112-Y117 HydrophobicContact CB-CE2 4.11Å; I112-Y117 HydrophobicContact CD1-CD2 4.3Å; I112-Y117 HydrophobicContact CD1-CE2 4.09Å; I112-Y117 HydrophobicContact CG1-CE2 4.31Å; I112-V158 HydrophobicContact CD1-CG2 3.66Å; I112-I160 HydrophobicContact CD1-CD1 3.77Å; I112-I160 HydrophobicContact CG1-CD1 3.85Å; I112-I160 HydrophobicContact CG2-CD1 3.93Å; I112-V166 HydrophobicContact CD1-CG2 4.42Å; I112-V166 HydrophobicContact CG1-CB 4.16Å; I112-V166 HydrophobicContact CG1-CG2 3.66Å; I112-K621 HydrophobicContact CD1-CD 4.41Å
113	E	74.8	Confident	83	Confident	119 Å²	119	43.4 Å²	43.4	56%	0.556	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.1	179.4	-61.1	171	-168.4	0	0	113.3	K115	E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 2.81Å
114	G	74	Confident	82.2	Confident	56 Å²	56	44.8 Å²	44.8	58%	0.577	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	7.1	-179.7	0	0	0	0	0	115.4	I112	I112-G114 PolarHBondContact O-N 2.85Å; I112-G114 VanDerWaalsContact O-N 3.16Å
115	K	76	Confident	81.4	Confident	115 Å²	115	51 Å²	51	50%	0.5	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.5	171.9	-67.6	178.8	-176.8	169.1	0	110.3	E111 I112 E113 Y117	E111-K115 CarbonylContact C-O 3.51Å; E111-K115 VanDerWaalsContact CA-O 3.25Å; E111-K115 WeakPolarHBondContact CA-O 3.45Å; I112-K115 PolarHBondContact N-O 2.83Å; I112-K115 PolarHBondContact O-N 2.92Å; E113-K115 VanDerWaalsContact C-N 3.3Å; E113-K115 PolarHBondContact O-N 2.81Å; K115-Y117 HydrophobicContact CB-CE2 4.05Å
116	V	82.1	Confident	80.8	Confident	88 Å²	88	56.6 Å²	56.6	53%	0.533	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.7	176.8	-174.7	0	0	0	0	110.2	M110 E111 V118	M110-V116 CarbonylContact O-C 3.55Å; E111-V116 HydrophobicContact CB-CG2 4.33Å; E111-V116 HydrophobicContact CG-CG2 4.02Å; V116-V118 HydrophobicContact CG1-CG2 3.92Å
117	Y	79.3	Confident	79.7	Confident	26 Å²	26	55.7 Å²	55.7	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113	173.7	-56.1	-76.7	0	0	0	108.7	S109 M110 I112 K115 K621 P622	S109-Y117 CarbonylContact C-O 3.53Å; S109-Y117 WeakPolarHBondContact CA-O 3.42Å; S109-Y117 WeakPolarHBondContact CB-O 3.4Å; M110-Y117 HydrophobicContact CE-CD2 3.8Å; M110-Y117 HydrophobicContact CE-CG 3.79Å; M110-Y117 HydrophobicContact CG-CD2 3.95Å; M110-Y117 HydrophobicContact CG-CG 4.26Å; M110-Y117 PolarHBondContact N-O 3.42Å; M110-Y117 WeakPolarHBondContact O-CD2 3.32Å; M110-Y117 PolarHBondContact O-N 2.98Å; I112-Y117 HydrophobicContact CB-CE2 4.11Å; I112-Y117 HydrophobicContact CD1-CD2 4.3Å; I112-Y117 HydrophobicContact CD1-CE2 4.09Å; I112-Y117 HydrophobicContact CG1-CE2 4.31Å; K115-Y117 HydrophobicContact CB-CE2 4.05Å; Y117-K621 HydrophobicContact CE1-CB 4.45Å; Y117-K621 HydrophobicContact CE1-CG 4.04Å; Y117-K621 HydrophobicContact CE2-CG 4.34Å; Y117-P622 HydrophobicContact CE1-CG 4.08Å
118	V	81.4	Confident	78.6	Confident	69 Å²	69	57.9 Å²	57.9	42%	0.418	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	136.4	-177.7	-174.1	0	0	0	0	110.1	V116	V116-V118 HydrophobicContact CG1-CG2 3.92Å
119	G	75.4	Confident	77.8	Confident	9 Å²	9	64.5 Å²	64.5	9%	0.093	33%	0.325	C	S	.	.			trans	-74.5	134.3	174.6	0	0	0	0	0	112	F108 V618	F108-G119 WeakPolarHBondContact O-CA 3.45Å; F108-G119 PolarHBondContact O-N 2.87Å; G119-V618 WeakPolarHBondContact CA-O 3.43Å
120	N	77.9	Confident	76.7	Confident	91 Å²	91	66.3 Å²	66.3	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125	177.3	-68.8	-62.7	0	0	0	110.5	M617 V618	N120-M617 CarbonylContact O-C 3.55Å; N120-M617 WeakPolarHBondContact O-CA 3.21Å; N120-V618 PolarHBondContact N-O 3.39Å; N120-V618 PolarHBondContact O-N 2.86Å
121	V	79.4	Confident	75.6	Confident	25 Å²	25	69.4 Å²	69.4	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.9	174.6	-176.2	0	0	0	0	109.9	L606 S609 V611 T615 S616 M617	V121-L606 HydrophobicContact CG1-CD2 4.45Å; V121-S609 WeakPolarHBondContact CG2-O 3.37Å; V121-V611 HydrophobicContact CG2-CG2 3.96Å; V121-T615 HydrophobicContact CG1-CG2 4.22Å; V121-S616 CarbonylContact C-O 3.51Å; V121-S616 WeakPolarHBondContact CA-O 3.44Å; V121-M617 HydrophobicContact CG2-CB 4.35Å; V121-M617 HydrophobicContact CG2-CE 3.58Å; V121-M617 HydrophobicContact CG2-CG 4.38Å
122	K	79.3	Confident	74.4	Confident	75 Å²	75	70.4 Å²	70.4	33%	0.326	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.9	180	-64	-173.9	-177	-178.4	0	109.8	T615 S616 V618	K122-T615 CarbonylContact O-C 3.6Å; K122-T615 WeakPolarHBondContact O-CA 3.38Å; K122-T615 VanDerWaalsContact O-CB 3.29Å; K122-T615 WeakPolarHBondContact O-CB 3.47Å; K122-S616 PolarHBondContact N-O 2.84Å; K122-S616 PolarHBondContact O-N 3.26Å; K122-V618 HydrophobicContact CD-CG2 4.41Å
123	E	82.8	Confident	73.6	Confident	51 Å²	51	77.9 Å²	77.9	24%	0.238	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	136.8	168.1	-174.7	-178.3	174.5	0	0	110.7	E125 K126 A127 L602	E123-E125 VanDerWaalsContact C-N 3.33Å; E123-E125 PolarHBondContact O-N 3.07Å; E123-K126 HydrophobicContact CB-CB 4.39Å; E123-K126 HydrophobicContact CB-CD 4.17Å; E123-K126 HydrophobicContact CB-CG 4.3Å; E123-K126 WeakPolarHBondContact O-CB 3.43Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 VanDerWaalsContact OE2-CE 3.3Å; E123-K126 WeakPolarHBondContact OE2-CE 3.43Å; E123-K126 IonicContact OE2-NZ 2.77Å; E123-K126 PolarHBondContact OE2-NZ 3.24Å; E123-A127 PolarHBondContact O-N 2.88Å; E123-L602 HydrophobicContact CB-CD1 4.37Å; E123-L602 HydrophobicContact CG-CD1 4.17Å; E123-L602 HydrophobicContact CG-CD2 4.17Å
124	K	75.8	Confident	72.6	Confident	31 Å²	31	72.3 Å²	72.3	14%	0.135	36%	0.355	C	S	.	.	H	α-helix	trans	-57.2	-41.2	-172.1	-176	163.5	-176	172.4	0	113.6	K126 A127 K128 P613 L614 S616 K636	K124-K126 PolarHBondContact O-N 2.83Å; K124-A127 PolarHBondContact O-N 2.84Å; K124-K128 WeakPolarHBondContact O-CB 3.49Å; K124-K128 PolarHBondContact O-N 3.26Å; K124-P613 WeakPolarHBondContact CD-O 3.47Å; K124-P613 PolarHBondContact NZ-O 3.23Å; K124-L614 WeakPolarHBondContact CB-O 3.33Å; K124-L614 PolarHBondContact N-O 3.17Å; K124-S616 WeakPolarHBondContact CA-OG 3.42Å; K124-S616 WeakPolarHBondContact CG-OG 3.49Å; K124-K636 PolarHBondContact NZ-O 2.95Å
125	E	74.2	Confident	71.5	Confident	131 Å²	131	72.8 Å²	72.8	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-65.5	-38.2	177.3	-64	-164.6	163.5	0	0	112.9	E123 K129	E123-E125 VanDerWaalsContact C-N 3.33Å; E123-E125 PolarHBondContact O-N 3.07Å; E125-K129 WeakPolarHBondContact O-CG 3.21Å; E125-K129 PolarHBondContact O-N 3.08Å; E125-K129 VanDerWaalsContact O-N 3.08Å
126	K	76.9	Confident	70.1	Confident	126 Å²	126	72.2 Å²	72.2	55%	0.548	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-41.7	177.9	-69.5	179.7	178.4	132.2	0	110.9	E123 K124 Q130	E123-K126 HydrophobicContact CB-CB 4.39Å; E123-K126 HydrophobicContact CB-CD 4.17Å; E123-K126 HydrophobicContact CB-CG 4.3Å; E123-K126 WeakPolarHBondContact O-CB 3.43Å; E123-K126 PolarHBondContact O-N 3.39Å; E123-K126 VanDerWaalsContact OE2-CE 3.3Å; E123-K126 WeakPolarHBondContact OE2-CE 3.43Å; E123-K126 IonicContact OE2-NZ 2.77Å; E123-K126 PolarHBondContact OE2-NZ 3.24Å; K124-K126 PolarHBondContact O-N 2.83Å; K126-Q130 PolarHBondContact O-N 2.73Å
127	A	66.9	Low	68.3	Low	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-50.5	172.9	0	0	0	0	0	110.8	E123 K124 K129 Q130 Y131 V618 I633	E123-A127 PolarHBondContact O-N 2.88Å; K124-A127 PolarHBondContact O-N 2.84Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.86Å; A127-Q130 CarbonylContact O-C 3.57Å; A127-Q130 WeakPolarHBondContact O-CA 3.47Å; A127-Q130 VanDerWaalsContact O-CB 3.26Å; A127-Q130 WeakPolarHBondContact O-CB 3.47Å; A127-Q130 PolarHBondContact O-N 3.04Å; A127-Y131 PolarHBondContact O-N 3.4Å; A127-V618 HydrophobicContact CB-CG2 3.67Å; A127-I633 VanDerWaalsContact C-CD1 3.41Å; A127-I633 HydrophobicContact CB-CD1 3.98Å; A127-I633 HydrophobicContact CB-CG2 4.21Å; A127-I633 WeakPolarHBondContact O-CD1 3.35Å
128	K	65.3	Low	66.1	Low	110 Å²	110	73 Å²	73	48%	0.478	38%	0.38	S	S	.	.	H	α-helix	trans	-55.9	-42.9	178.7	-166.2	-175.7	-171.5	-117.3	0	113.1	K124 Q130 Y131 E132	K124-K128 WeakPolarHBondContact O-CB 3.49Å; K124-K128 PolarHBondContact O-N 3.26Å; K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.88Å; K128-Y131 WeakPolarHBondContact O-CB 3.25Å; K128-Y131 PolarHBondContact O-N 3.46Å; K128-Y131 VanDerWaalsContact O-N 3.15Å; K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.41Å; K128-E132 IonicContact NZ-OE1 3.64Å; K128-E132 PolarHBondContact NZ-OE1 3.14Å; K128-E132 WeakPolarHBondContact O-CG 3.22Å; K128-E132 PolarHBondContact O-N 2.78Å
129	K	71.9	Confident	64.4	Low	139 Å²	139	71.7 Å²	71.7	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-61.4	-37.2	174.5	-73.8	172.7	-176.6	170	0	112.2	E125 A127 K133	E125-K129 WeakPolarHBondContact O-CG 3.21Å; E125-K129 PolarHBondContact O-N 3.08Å; E125-K129 VanDerWaalsContact O-N 3.08Å; A127-K129 VanDerWaalsContact C-N 3.32Å; A127-K129 PolarHBondContact O-N 2.86Å; K129-K133 VanDerWaalsContact O-CB 3.29Å; K129-K133 WeakPolarHBondContact O-CB 3.43Å; K129-K133 PolarHBondContact O-N 3.25Å; K129-K133 VanDerWaalsContact O-N 3.14Å
130	Q	65.2	Low	62.6	Low	51 Å²	51	72.8 Å²	72.8	24%	0.238	38%	0.375	C	S	.	.	H	α-helix	trans	-67.3	-37.1	175	-167.2	174.4	-15.1	0	0	111.6	K126 A127 K128 A134 V618 I633	K126-Q130 PolarHBondContact O-N 2.73Å; A127-Q130 CarbonylContact O-C 3.57Å; A127-Q130 WeakPolarHBondContact O-CA 3.47Å; A127-Q130 VanDerWaalsContact O-CB 3.26Å; A127-Q130 WeakPolarHBondContact O-CB 3.47Å; A127-Q130 PolarHBondContact O-N 3.04Å; K128-Q130 VanDerWaalsContact C-N 3.28Å; K128-Q130 PolarHBondContact O-N 2.88Å; Q130-A134 PolarHBondContact O-N 2.62Å; Q130-A134 VanDerWaalsContact O-N 3.13Å; Q130-V618 HydrophobicContact CG-CG1 4.5Å; Q130-I633 HydrophobicContact CB-CD1 4.48Å
131	Y	60.5	Low	61	Low	67 Å²	67	69.4 Å²	69.4	26%	0.263	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-51.5	173.7	173.5	-86.9	0	0	0	112.9	A127 K128 K133 A134 V135 A141 I633	A127-Y131 PolarHBondContact O-N 3.4Å; K128-Y131 WeakPolarHBondContact O-CB 3.25Å; K128-Y131 PolarHBondContact O-N 3.46Å; K128-Y131 VanDerWaalsContact O-N 3.15Å; Y131-K133 PolarHBondContact O-N 3.37Å; Y131-A134 CarbonylContact O-C 3.55Å; Y131-A134 WeakPolarHBondContact O-CA 3.33Å; Y131-A134 WeakPolarHBondContact O-CB 3.16Å; Y131-A134 PolarHBondContact O-N 3.02Å; Y131-V135 HydrophobicContact CD1-CG2 3.95Å; Y131-V135 HydrophobicContact CD2-CG2 4.27Å; Y131-V135 HydrophobicContact CE1-CB 4.4Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 HydrophobicContact CE2-CG2 3.9Å; Y131-V135 HydrophobicContact CG-CG2 4.28Å; Y131-V135 VanDerWaalsContact CZ-CG2 3.47Å; Y131-V135 PolarHBondContact O-N 2.79Å; Y131-A141 HydrophobicContact CD2-CB 3.5Å; Y131-A141 HydrophobicContact CE2-CB 3.24Å; Y131-I633 HydrophobicContact CD2-CB 4.42Å; Y131-I633 HydrophobicContact CD2-CG1 4.24Å; Y131-I633 HydrophobicContact CG-CD1 4.48Å
132	E	63	Low	59.3	Low	95 Å²	95	68.3 Å²	68.3	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-39.1	-177.7	-73	174.2	175.4	0	0	110.5	K128 S136	K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.41Å; K128-E132 IonicContact NZ-OE1 3.64Å; K128-E132 PolarHBondContact NZ-OE1 3.14Å; K128-E132 WeakPolarHBondContact O-CG 3.22Å; K128-E132 PolarHBondContact O-N 2.78Å; E132-S136 VanDerWaalsContact O-CB 3.23Å; E132-S136 WeakPolarHBondContact O-CB 3.43Å; E132-S136 PolarHBondContact O-N 3.33Å; E132-S136 PolarHBondContact O-OG 3.4Å
133	K	64.1	Low	57.9	Low	162 Å²	162	67.8 Å²	67.8	70%	0.704	35%	0.353	S	S	*	.	H	α-helix	trans	-60.1	-47.1	172.2	-171.9	179.6	-179.9	-174.4	0	111.4	K129 Y131 S136 S137	K129-K133 VanDerWaalsContact O-CB 3.29Å; K129-K133 WeakPolarHBondContact O-CB 3.43Å; K129-K133 PolarHBondContact O-N 3.25Å; K129-K133 VanDerWaalsContact O-N 3.14Å; Y131-K133 PolarHBondContact O-N 3.37Å; K133-S136 PolarHBondContact O-OG 2.93Å; K133-S137 PolarHBondContact O-N 3.25Å; K133-S137 PolarHBondContact O-OG 2.74Å
134	A	53	Low	56.3	Low	1 Å²	1	65.5 Å²	65.5	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-59.1	176	0	0	0	0	0	111.4	Q130 Y131 S136 S137 G138 Q139 P631	Q130-A134 PolarHBondContact O-N 2.62Å; Q130-A134 VanDerWaalsContact O-N 3.13Å; Y131-A134 CarbonylContact O-C 3.55Å; Y131-A134 WeakPolarHBondContact O-CA 3.33Å; Y131-A134 WeakPolarHBondContact O-CB 3.16Å; Y131-A134 PolarHBondContact O-N 3.02Å; A134-S136 VanDerWaalsContact C-N 3.26Å; A134-S136 PolarHBondContact O-N 3.24Å; A134-S136 VanDerWaalsContact O-N 3.14Å; A134-S137 CarbonylContact O-C 3.59Å; A134-S137 WeakPolarHBondContact O-CA 3.49Å; A134-S137 WeakPolarHBondContact O-CB 3.24Å; A134-S137 PolarHBondContact O-N 2.86Å; A134-S137 PolarHBondContact O-OG 3.14Å; A134-G138 PolarHBondContact O-N 3.19Å; A134-Q139 HydrophobicContact CB-CB 4.03Å; A134-Q139 VanDerWaalsContact O-CB 3.24Å; A134-Q139 WeakPolarHBondContact O-CB 3.24Å; A134-Q139 PolarHBondContact O-N 3.12Å; A134-P631 HydrophobicContact CB-CG 3.63Å
135	V	50.4	Low	54.9	Low	67 Å²	67	69.9 Å²	69.9	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-55.9	-40	-178.2	176.3	0	0	0	0	112.3	Y131 S137 G138 A141	Y131-V135 HydrophobicContact CD1-CG2 3.95Å; Y131-V135 HydrophobicContact CD2-CG2 4.27Å; Y131-V135 HydrophobicContact CE1-CB 4.4Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 HydrophobicContact CE2-CG2 3.9Å; Y131-V135 HydrophobicContact CG-CG2 4.28Å; Y131-V135 VanDerWaalsContact CZ-CG2 3.47Å; Y131-V135 PolarHBondContact O-N 2.79Å; V135-S137 PolarHBondContact O-N 3.41Å; V135-G138 PolarHBondContact O-N 2.9Å; V135-A141 HydrophobicContact CG2-CB 4.1Å
136	S	47.5	Very low	53.5	Low	102 Å²	102	65.4 Å²	65.4	71%	0.713	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-20	176.2	73.7	0	0	0	0	114.2	E132 K133 A134	E132-S136 VanDerWaalsContact O-CB 3.23Å; E132-S136 WeakPolarHBondContact O-CB 3.43Å; E132-S136 PolarHBondContact O-N 3.33Å; E132-S136 PolarHBondContact O-OG 3.4Å; K133-S136 PolarHBondContact O-OG 2.93Å; A134-S136 VanDerWaalsContact C-N 3.26Å; A134-S136 PolarHBondContact O-N 3.24Å; A134-S136 VanDerWaalsContact O-N 3.14Å
137	S	43.3	Very low	51.9	Low	69 Å²	69	60.8 Å²	60.8	48%	0.483	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11.6	175.1	59.4	0	0	0	0	114.1	K133 A134 V135 Q139	K133-S137 PolarHBondContact O-N 3.25Å; K133-S137 PolarHBondContact O-OG 2.74Å; A134-S137 CarbonylContact O-C 3.59Å; A134-S137 WeakPolarHBondContact O-CA 3.49Å; A134-S137 WeakPolarHBondContact O-CB 3.24Å; A134-S137 PolarHBondContact O-N 2.86Å; A134-S137 PolarHBondContact O-OG 3.14Å; V135-S137 PolarHBondContact O-N 3.41Å; S137-Q139 WeakPolarHBondContact OG-CG 3.03Å; S137-Q139 PolarHBondContact OG-OE1 3.02Å
138	G	34.6	Very low	51.3	Low	62 Å²	62	62.6 Å²	62.6	64%	0.639	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	26.4	177.4	0	0	0	0	0	113.9	A134 V135	A134-G138 PolarHBondContact O-N 3.19Å; V135-G138 PolarHBondContact O-N 2.9Å
139	Q	44.1	Very low	51.5	Low	42 Å²	42	61 Å²	61	20%	0.196	34%	0.341	C	S	.	.			trans	-101.4	133.7	-171	-78.4	-174.9	-1.7	0	0	112.5	A134 S137 S630	A134-Q139 HydrophobicContact CB-CB 4.03Å; A134-Q139 VanDerWaalsContact O-CB 3.24Å; A134-Q139 WeakPolarHBondContact O-CB 3.24Å; A134-Q139 PolarHBondContact O-N 3.12Å; S137-Q139 WeakPolarHBondContact OG-CG 3.03Å; S137-Q139 PolarHBondContact OG-OE1 3.02Å; Q139-S630 WeakPolarHBondContact CA-OG 3.21Å; Q139-S630 WeakPolarHBondContact CB-OG 3.33Å; Q139-S630 VanDerWaalsContact CG-OG 3.25Å; Q139-S630 WeakPolarHBondContact CG-OG 3.44Å
140	T	39.3	Very low	51.5	Low	31 Å²	31	60.2 Å²	60.2	19%	0.19	34%	0.337	C	S	.	.			trans	-56.5	129	172.1	-49.5	0	0	0	0	113.3	E92 S157 D629 S630	E92-T140 WeakPolarHBondContact OE1-CG2 3.28Å; T140-S157 WeakPolarHBondContact CG2-O 3.34Å; T140-S157 WeakPolarHBondContact CG2-OG 3.39Å; T140-D629 VanDerWaalsContact CB-OD1 3.31Å; T140-D629 WeakPolarHBondContact CB-OD1 3.26Å; T140-D629 PolarHBondContact OG1-OD1 2.04Å; T140-S630 PolarHBondContact N-OG 3.19Å; T140-S630 WeakPolarHBondContact O-CB 3.5Å
141	A	44	Very low	52.1	Low	21 Å²	21	57.9 Å²	57.9	17%	0.174	33%	0.326	C	S	.	.			trans	-137.3	132.2	-176.9	0	0	0	0	0	112.2	Y131 V135	Y131-A141 HydrophobicContact CD2-CB 3.5Å; Y131-A141 HydrophobicContact CE2-CB 3.24Å; V135-A141 HydrophobicContact CG2-CB 4.1Å
142	G	44	Very low	52.8	Low	1 Å²	1	55.6 Å²	55.6	1%	0.01	32%	0.318	C	S	.	.			trans	-67.5	149.5	168.2	0	0	0	0	0	111.7	S155 I633	G142-S155 CarbonylContact C-O 3.5Å; G142-S155 WeakPolarHBondContact CA-O 3.37Å; G142-I633 CarbonylContact C-O 3.57Å; G142-I633 PolarHBondContact O-N 3.49Å
143	L	50	Low	53.3	Low	64 Å²	64	53.2 Å²	53.2	34%	0.335	31%	0.306	S	S	.	.			trans	-146.3	122.2	179.5	178.9	59.2	0	0	0	109.6	K145 S155 I633	L143-K145 HydrophobicContact CD2-CD 4.22Å; L143-K145 HydrophobicContact CD2-CG 3.99Å; L143-K145 HydrophobicContact CG-CG 3.88Å; L143-K145 PolarHBondContact O-N 3.32Å; L143-S155 CarbonylContact C-O 3.41Å; L143-S155 PolarHBondContact N-O 2.8Å; L143-S155 WeakPolarHBondContact O-CB 3.05Å; L143-I633 PolarHBondContact N-O 3.46Å
144	V	48.6	Very low	53.9	Low	3 Å²	3	45.6 Å²	45.6	2%	0.018	27%	0.273	C	S	.	.			trans	-77.1	124.9	165.8	175.7	0	0	0	0	108.6	K153 F154 A634 D635	V144-K153 CarbonylContact C-O 3.54Å; V144-K153 VanDerWaalsContact CA-O 3.31Å; V144-K153 WeakPolarHBondContact CA-O 3.44Å; V144-K153 WeakPolarHBondContact CG1-O 3.43Å; V144-F154 HydrophobicContact CG2-CB 4.48Å; V144-F154 HydrophobicContact CG2-CD2 3.62Å; V144-F154 HydrophobicContact CG2-CE2 4.33Å; V144-F154 HydrophobicContact CG2-CG 4.38Å; V144-A634 HydrophobicContact CG2-CB 3.55Å; V144-D635 WeakPolarHBondContact CB-O 3.5Å; V144-D635 WeakPolarHBondContact CG1-O 3.4Å; V144-D635 WeakPolarHBondContact CG2-O 3.44Å
145	K	46.5	Very low	54.6	Low	124 Å²	124	46.6 Å²	46.6	54%	0.539	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.5	173.9	-64	-175.5	-177.3	173.3	0	108.5	L143 S147 K153	L143-K145 HydrophobicContact CD2-CD 4.22Å; L143-K145 HydrophobicContact CD2-CG 3.99Å; L143-K145 HydrophobicContact CG-CG 3.88Å; L143-K145 PolarHBondContact O-N 3.32Å; K145-S147 PolarHBondContact O-N 3.1Å; K145-K153 PolarHBondContact N-O 2.94Å; K145-K153 CarbonylContact O-C 3.53Å; K145-K153 VanDerWaalsContact O-CA 3.26Å; K145-K153 WeakPolarHBondContact O-CA 3.49Å; K145-K153 VanDerWaalsContact O-CB 3.28Å; K145-K153 WeakPolarHBondContact O-CB 3.43Å; K145-K153 PolarHBondContact O-N 3.07Å
146	A	44.5	Very low	55.6	Low	36 Å²	36	43.5 Å²	43.5	30%	0.298	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	140.4	169.6	0	0	0	0	0	109.9	L637 R642	A146-L637 HydrophobicContact CB-CD1 4.07Å; A146-L637 VanDerWaalsContact N-CD1 3.32Å; A146-R642 HydrophobicContact CB-CG 3.69Å
147	S	42.1	Very low	56.5	Low	29 Å²	29	39.2 Å²	39.2	20%	0.203	23%	0.231	C	C	.	.			trans	-135.7	109	167.4	-173.9	0	0	0	0	111.1	E98 K145 M151 K153	E98-S147 PolarHBondContact OE1-OG 2.88Å; E98-S147 PolarHBondContact OE2-OG 2.87Å; K145-S147 PolarHBondContact O-N 3.1Å; S147-M151 CarbonylContact C-O 3.57Å; S147-M151 CarbonylContact O-C 3.46Å; S147-M151 VanDerWaalsContact O-C 3.27Å; S147-M151 WeakPolarHBondContact O-CB 3.16Å; S147-K153 VanDerWaalsContact CB-CB 3.42Å
148	G	54.6	Low	57.7	Low	39 Å²	39	36.3 Å²	36.3	40%	0.402	21%	0.211	S	C	.	.	S	Bend	trans	76.6	-168	176.5	0	0	0	0	0	115
149	R	69.7	Low	59.4	Low	75 Å²	75	35.6 Å²	35.6	28%	0.283	19%	0.192	S	C	.	.	S	Bend	trans	-81.9	-49.1	-167.7	-56.2	-175.5	-179.6	163.2	-2.3	113.7	K101 F467 D471 Q475	K101-R149 WeakPolarHBondContact CD-O 3.49Å; K101-R149 VanDerWaalsContact CE-O 3.24Å; K101-R149 WeakPolarHBondContact CE-O 3.19Å; K101-R149 PolarHBondContact NZ-O 3.08Å; R149-F467 HydrophobicContact CB-CD2 4.11Å; R149-F467 HydrophobicContact CB-CE1 4.35Å; R149-F467 HydrophobicContact CB-CE2 3.61Å; R149-F467 HydrophobicContact CB-CZ 3.75Å; R149-F467 HydrophobicContact CG-CD1 3.85Å; R149-F467 HydrophobicContact CG-CD2 3.55Å; R149-F467 HydrophobicContact CG-CE1 3.8Å; R149-F467 HydrophobicContact CG-CE2 3.53Å; R149-F467 HydrophobicContact CG-CG 3.72Å; R149-F467 HydrophobicContact CG-CZ 3.65Å; R149-D471 IonicContact CZ-OD1 3.2Å; R149-D471 IonicContact CZ-OD2 3.96Å; R149-D471 IonicContact NH1-OD1 2.94Å; R149-D471 PolarHBondContact NH1-OD1 2.89Å; R149-D471 IonicContact NH1-OD2 2.84Å; R149-D471 PolarHBondContact NH1-OD2 3.2Å; R149-D471 IonicContact NH2-OD1 3.99Å; R149-D471 PolarHBondContact NH2-OD1 2.88Å; R149-D471 IonicContact NH2-OD2 2.64Å; R149-Q475 VanDerWaalsContact CZ-NE2 3.28Å; R149-Q475 VanDerWaalsContact NH1-CD 3.25Å
150	K	72.1	Confident	60.8	Low	124 Å²	124	33.6 Å²	33.6	54%	0.539	18%	0.183	S	C	.	.	S	Bend	trans	-98.9	-11.3	-177.1	-68.9	-177	173.6	-179.4	0	113.3	K101 E184 L186	K101-K150 PolarHBondContact N-O 2.83Å; K150-E184 IonicContact NZ-OE1 3.66Å; K150-E184 PolarHBondContact NZ-OE1 3.28Å; K150-L186 HydrophobicContact CB-CD2 4.32Å; K150-L186 HydrophobicContact CD-CD2 4.17Å
151	M	78.3	Confident	62.7	Low	1 Å²	1	34 Å²	34	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	161.7	-170.4	-50.5	-64.4	-100.9	0	0	112.5	E98 L99 P100 K101 S147 L186 R188	E98-M151 HydrophobicContact CB-CB 4.13Å; E98-M151 HydrophobicContact CB-CE 4.42Å; E98-M151 WeakPolarHBondContact O-CE 3.18Å; L99-M151 CarbonylContact O-C 3.41Å; L99-M151 WeakPolarHBondContact O-CA 3.44Å; L99-M151 WeakPolarHBondContact O-CB 3.37Å; P100-M151 HydrophobicContact CB-SD 4.37Å; P100-M151 HydrophobicContact CG-CE 4.46Å; P100-M151 HydrophobicContact CG-SD 4.13Å; K101-M151 WeakPolarHBondContact CE-O 3.39Å; S147-M151 CarbonylContact C-O 3.57Å; S147-M151 CarbonylContact O-C 3.46Å; S147-M151 VanDerWaalsContact O-C 3.27Å; S147-M151 WeakPolarHBondContact O-CB 3.16Å; M151-L186 HydrophobicContact CE-CD2 4.28Å; M151-L186 HydrophobicContact CE-CG 4.13Å; M151-L186 HydrophobicContact CG-CD2 4.42Å; M151-L186 HydrophobicContact SD-CD2 3.68Å; M151-L186 HydrophobicContact SD-CG 4.16Å; M151-R188 HydrophobicContact CE-CB 3.7Å
152	E	75	Confident	64.4	Low	19 Å²	19	34.6 Å²	34.6	9%	0.089	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141	169	-59.9	-175.1	163.8	0	0	107.8	E98 L99 K101	E98-E152 CarbonylContact C-O 3.4Å; E98-E152 VanDerWaalsContact CA-O 3.26Å; E98-E152 WeakPolarHBondContact CA-O 3.39Å; L99-E152 PolarHBondContact N-O 3.08Å; L99-E152 PolarHBondContact O-N 3.24Å; K101-E152 HydrophobicContact CB-CG 4.4Å; K101-E152 HydrophobicContact CG-CG 3.58Å
153	K	73.8	Confident	66.4	Low	46 Å²	46	41.4 Å²	41.4	20%	0.2	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111	178.2	-177.6	-177.3	-171.2	-165.8	0	110.4	D96 V97 E98 V144 K145 S147	D96-K153 VanDerWaalsContact CG-CE 3.44Å; D96-K153 WeakPolarHBondContact OD2-CE 3.25Å; D96-K153 IonicContact OD2-NZ 3.23Å; D96-K153 PolarHBondContact OD2-NZ 2.86Å; V97-K153 CarbonylContact O-C 3.5Å; V97-K153 VanDerWaalsContact O-CA 3.32Å; V97-K153 WeakPolarHBondContact O-CA 3.35Å; E98-K153 HydrophobicContact CG-CB 4.26Å; E98-K153 HydrophobicContact CG-CG 4.45Å; V144-K153 CarbonylContact C-O 3.54Å; V144-K153 VanDerWaalsContact CA-O 3.31Å; V144-K153 WeakPolarHBondContact CA-O 3.44Å; V144-K153 WeakPolarHBondContact CG1-O 3.43Å; K145-K153 PolarHBondContact N-O 2.94Å; K145-K153 CarbonylContact O-C 3.53Å; K145-K153 VanDerWaalsContact O-CA 3.26Å; K145-K153 WeakPolarHBondContact O-CA 3.49Å; K145-K153 VanDerWaalsContact O-CB 3.28Å; K145-K153 WeakPolarHBondContact O-CB 3.43Å; K145-K153 PolarHBondContact O-N 3.07Å; S147-K153 VanDerWaalsContact CB-CB 3.42Å
154	F	76.5	Confident	68	Low	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.7	161.8	-174.3	-92.4	0	0	0	109	F95 D96 V97 L99 I105 F108 V144 V156 L170 A634	F95-F154 HydrophobicContact CD1-CD1 4.02Å; F95-F154 AromaticContact CD1-CE1 3.91Å; F95-F154 HydrophobicContact CD1-CE1 3.91Å; F95-F154 HydrophobicContact CE1-CD1 4.01Å; F95-F154 HydrophobicContact CE1-CE1 4.01Å; D96-F154 CarbonylContact C-O 3.43Å; D96-F154 VanDerWaalsContact CA-O 3.27Å; D96-F154 WeakPolarHBondContact CA-O 3.27Å; V97-F154 PolarHBondContact N-O 3.49Å; V97-F154 PolarHBondContact O-N 3.4Å; L99-F154 HydrophobicContact CD2-CB 3.75Å; I105-F154 HydrophobicContact CD1-CD2 3.43Å; I105-F154 VanDerWaalsContact CD1-CD2 3.43Å; I105-F154 HydrophobicContact CD1-CE2 3.92Å; I105-F154 HydrophobicContact CD1-CG 4.36Å; F108-F154 HydrophobicContact CB-CZ 3.99Å; F108-F154 HydrophobicContact CD1-CE1 4.25Å; F108-F154 AromaticContact CD1-CZ 3.69Å; F108-F154 HydrophobicContact CD1-CZ 3.69Å; F108-F154 AromaticContact CD2-CE1 3.61Å; F108-F154 HydrophobicContact CD2-CE1 3.61Å; F108-F154 AromaticContact CD2-CZ 3.62Å; F108-F154 HydrophobicContact CD2-CZ 3.62Å; F108-F154 HydrophobicContact CE1-CE1 4.22Å; F108-F154 HydrophobicContact CE1-CZ 4.02Å; F108-F154 AromaticContact CE2-CE1 3.56Å; F108-F154 HydrophobicContact CE2-CE1 3.56Å; F108-F154 AromaticContact CE2-CZ 3.96Å; F108-F154 HydrophobicContact CE2-CZ 3.96Å; F108-F154 AromaticContact CG-CE1 3.96Å; F108-F154 HydrophobicContact CG-CE1 3.96Å; F108-F154 HydrophobicContact CG-CE2 4.47Å; F108-F154 AromaticContact CG-CZ 3.48Å; F108-F154 HydrophobicContact CG-CZ 3.48Å; F108-F154 VanDerWaalsContact CG-CZ 3.48Å; F108-F154 AromaticContact CZ-CE1 3.88Å; F108-F154 HydrophobicContact CZ-CE1 3.88Å; F108-F154 HydrophobicContact CZ-CZ 4.14Å; V144-F154 HydrophobicContact CG2-CB 4.48Å; V144-F154 HydrophobicContact CG2-CD2 3.62Å; V144-F154 HydrophobicContact CG2-CE2 4.33Å; V144-F154 HydrophobicContact CG2-CG 4.38Å; F154-V156 HydrophobicContact CD1-CG2 4.27Å; F154-V156 HydrophobicContact CE1-CB 4.27Å; F154-V156 HydrophobicContact CE1-CG2 3.42Å; F154-V156 VanDerWaalsContact CE1-CG2 3.42Å; F154-V156 HydrophobicContact CZ-CG2 3.6Å; F154-L170 HydrophobicContact CB-CD2 4.39Å; F154-L170 HydrophobicContact CD1-CD1 4.37Å; F154-L170 HydrophobicContact CD1-CD2 4.18Å; F154-L170 HydrophobicContact CD2-CD1 4.3Å; F154-L170 HydrophobicContact CE1-CD1 4.24Å; F154-L170 HydrophobicContact CE2-CD1 4.1Å; F154-L170 HydrophobicContact CG-CD1 4.4Å; F154-L170 HydrophobicContact CG-CD2 4.26Å; F154-L170 HydrophobicContact CZ-CD1 4.11Å; F154-A634 HydrophobicContact CD2-CB 3.79Å; F154-A634 HydrophobicContact CE2-CB 3.2Å; F154-A634 HydrophobicContact CZ-CB 4.13Å
155	S	68.4	Low	69.9	Low	23 Å²	23	42.7 Å²	42.7	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.7	178.8	-179.9	0	0	0	0	109.8	F95 D96 G142 L143	F95-S155 WeakPolarHBondContact O-CA 3.13Å; D96-S155 WeakPolarHBondContact OD1-CA 3.18Å; D96-S155 WeakPolarHBondContact OD1-CB 3.29Å; D96-S155 PolarHBondContact OD1-OG 2.84Å; G142-S155 CarbonylContact C-O 3.5Å; G142-S155 WeakPolarHBondContact CA-O 3.37Å; L143-S155 CarbonylContact C-O 3.41Å; L143-S155 PolarHBondContact N-O 2.8Å; L143-S155 WeakPolarHBondContact O-CB 3.05Å
156	V	71.1	Confident	71.8	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130	178.4	165.7	0	0	0	0	107.7	F94 F95 F108 F154 L632	F94-V156 CarbonylContact C-O 3.53Å; F94-V156 WeakPolarHBondContact CA-O 3.43Å; F95-V156 PolarHBondContact N-O 2.8Å; F95-V156 PolarHBondContact O-N 3.21Å; F108-V156 HydrophobicContact CE1-CB 4.32Å; F108-V156 HydrophobicContact CE1-CG1 4.06Å; F108-V156 HydrophobicContact CE1-CG2 3.78Å; F108-V156 HydrophobicContact CZ-CB 4.04Å; F108-V156 HydrophobicContact CZ-CG1 3.94Å; F108-V156 HydrophobicContact CZ-CG2 3.86Å; F154-V156 HydrophobicContact CD1-CG2 4.27Å; F154-V156 HydrophobicContact CE1-CB 4.27Å; F154-V156 HydrophobicContact CE1-CG2 3.42Å; F154-V156 VanDerWaalsContact CE1-CG2 3.42Å; F154-V156 HydrophobicContact CZ-CG2 3.6Å; V156-L632 HydrophobicContact CG1-CD1 3.42Å; V156-L632 VanDerWaalsContact CG1-CD1 3.42Å; V156-L632 HydrophobicContact CG1-CD2 4.04Å; V156-L632 HydrophobicContact CG1-CG 4.16Å
157	S	64.9	Low	74.1	Confident	11 Å²	11	36 Å²	36	8%	0.077	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	143.1	171.5	73	0	0	0	0	111.3	E92 I93 T140 L632	E92-S157 WeakPolarHBondContact OE1-CB 3.24Å; E92-S157 PolarHBondContact OE1-OG 2.94Å; I93-S157 CarbonylContact O-C 3.59Å; I93-S157 VanDerWaalsContact O-CA 3.28Å; I93-S157 WeakPolarHBondContact O-CA 3.33Å; T140-S157 WeakPolarHBondContact CG2-O 3.34Å; T140-S157 WeakPolarHBondContact CG2-OG 3.39Å; S157-L632 WeakPolarHBondContact O-CD2 3.46Å
158	V	69.9	Low	76.4	Confident	8 Å²	8	34.8 Å²	34.8	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138.2	-179.7	63.5	0	0	0	0	110.7	E92 I93 M110 I112 I160 F168	E92-V158 WeakPolarHBondContact CA-O 3.5Å; I93-V158 PolarHBondContact N-O 2.73Å; I93-V158 PolarHBondContact O-N 3.03Å; M110-V158 HydrophobicContact SD-CG2 4.32Å; I112-V158 HydrophobicContact CD1-CG2 3.66Å; V158-I160 HydrophobicContact CG1-CD1 3.81Å; V158-I160 HydrophobicContact CG1-CG1 4.18Å; V158-I160 HydrophobicContact CG2-CD1 4.04Å; V158-F168 HydrophobicContact CG1-CE1 3.72Å; V158-F168 HydrophobicContact CG1-CZ 3.53Å
159	N	69.1	Low	78.2	Confident	47 Å²	47	35.4 Å²	35.4	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.2	174.5	-160	-1.2	0	0	0	110.7	S90 K91 D629	S90-N159 WeakPolarHBondContact CB-OD1 3.43Å; K91-N159 PolarHBondContact N-OD1 3.47Å; K91-N159 PolarHBondContact O-OD1 3Å; N159-D629 WeakPolarHBondContact CB-OD2 3.49Å; N159-D629 PolarHBondContact ND2-OD2 3.42Å
160	I	74.8	Confident	79.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.2	-178.8	-58	-53.4	0	0	0	109	N85 S90 K91 I93 I112 V158 S164 V166	N85-I160 HydrophobicContact CB-CG2 4.09Å; N85-I160 PolarHBondContact ND2-O 3.28Å; S90-I160 CarbonylContact C-O 3.36Å; S90-I160 WeakPolarHBondContact CA-O 3.23Å; S90-I160 WeakPolarHBondContact CB-O 3.18Å; K91-I160 PolarHBondContact N-O 2.71Å; K91-I160 PolarHBondContact O-N 3.33Å; I93-I160 HydrophobicContact CB-CG1 4.44Å; I93-I160 HydrophobicContact CD1-CB 3.93Å; I93-I160 HydrophobicContact CD1-CG1 3.68Å; I93-I160 HydrophobicContact CD1-CG2 4.46Å; I93-I160 HydrophobicContact CG1-CB 4.42Å; I93-I160 HydrophobicContact CG1-CG1 4.09Å; I112-I160 HydrophobicContact CD1-CD1 3.77Å; I112-I160 HydrophobicContact CG1-CD1 3.85Å; I112-I160 HydrophobicContact CG2-CD1 3.93Å; V158-I160 HydrophobicContact CG1-CD1 3.81Å; V158-I160 HydrophobicContact CG1-CG1 4.18Å; V158-I160 HydrophobicContact CG2-CD1 4.04Å; I160-S164 WeakPolarHBondContact CG2-O 3.41Å; I160-V166 HydrophobicContact CD1-CB 3.67Å; I160-V166 HydrophobicContact CD1-CG1 4Å; I160-V166 HydrophobicContact CD1-CG2 4.06Å; I160-V166 HydrophobicContact CG1-CB 4.03Å; I160-V166 HydrophobicContact CG1-CG1 3.81Å
161	A	77.8	Confident	80.3	Confident	38 Å²	38	26.6 Å²	26.6	31%	0.314	15%	0.15	S	C	.	.			trans	-60.7	162.5	178.8	0	0	0	0	0	111.8	N85 S164	N85-A161 PolarHBondContact ND2-O 3.07Å; A161-S164 WeakPolarHBondContact O-CB 3.45Å; A161-S164 PolarHBondContact O-N 3.1Å
162	A	80.4	Confident	81	Confident	35 Å²	35	26.6 Å²	26.6	29%	0.289	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	142.4	173.2	0	0	0	0	0	110.9	A87 S164	A87-A162 VanDerWaalsContact O-CA 3.22Å; A87-A162 WeakPolarHBondContact O-CA 3.44Å; A87-A162 VanDerWaalsContact O-CB 3.24Å; A87-A162 WeakPolarHBondContact O-CB 3.42Å; A162-S164 PolarHBondContact O-N 2.98Å; A162-S164 PolarHBondContact O-OG 3.12Å
163	E	85.3	Confident	81.9	Confident	144 Å²	144	26 Å²	26	67%	0.673	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	23.5	175.5	-57.4	-177.2	177.5	0	0	114.9	N85 A87	N85-E163 CarbonylContact O-C 3.43Å; N85-E163 WeakPolarHBondContact O-CA 3.33Å; N85-E163 PolarHBondContact O-N 3.29Å; A87-E163 PolarHBondContact O-N 2.84Å
164	S	83.6	Confident	82.9	Confident	22 Å²	22	24.1 Å²	24.1	15%	0.154	14%	0.139	C	C	.	.			trans	-115.9	151.1	-173.9	-60.5	0	0	0	0	112.2	N85 I160 A161 A162	N85-S164 PolarHBondContact N-O 3.07Å; N85-S164 PolarHBondContact O-N 2.74Å; I160-S164 WeakPolarHBondContact CG2-O 3.41Å; A161-S164 WeakPolarHBondContact O-CB 3.45Å; A161-S164 PolarHBondContact O-N 3.1Å; A162-S164 PolarHBondContact O-N 2.98Å; A162-S164 PolarHBondContact O-OG 3.12Å
165	N	88.7	Confident	83.7	Confident	71 Å²	71	24.7 Å²	24.7	38%	0.38	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	158.9	177.9	68.4	-9.1	0	0	0	112.6	A83 L84	A83-N165 CarbonylContact O-C 3.53Å; A83-N165 WeakPolarHBondContact O-CA 3.17Å; A83-N165 WeakPolarHBondContact O-CB 3.43Å; L84-N165 HydrophobicContact CD1-CB 4.2Å
166	V	87.6	Confident	85.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.5	171	57	0	0	0	0	109.7	V82 A83 I93 E111 I112 I160 F168	V82-V166 CarbonylContact C-O 3.5Å; V82-V166 WeakPolarHBondContact CA-O 3.32Å; A83-V166 HydrophobicContact CB-CG1 4.06Å; A83-V166 PolarHBondContact N-O 3.08Å; A83-V166 PolarHBondContact O-N 3.12Å; I93-V166 HydrophobicContact CD1-CG1 4.12Å; E111-V166 CarbonylContact O-C 3.55Å; E111-V166 VanDerWaalsContact O-CA 3.26Å; E111-V166 WeakPolarHBondContact O-CA 3.14Å; I112-V166 HydrophobicContact CD1-CG2 4.42Å; I112-V166 HydrophobicContact CG1-CB 4.16Å; I112-V166 HydrophobicContact CG1-CG2 3.66Å; I160-V166 HydrophobicContact CD1-CB 3.67Å; I160-V166 HydrophobicContact CD1-CG1 4Å; I160-V166 HydrophobicContact CD1-CG2 4.06Å; I160-V166 HydrophobicContact CG1-CB 4.03Å; I160-V166 HydrophobicContact CG1-CG1 3.81Å; V166-F168 HydrophobicContact CB-CE2 4.25Å; V166-F168 HydrophobicContact CB-CZ 4.29Å; V166-F168 HydrophobicContact CG1-CD2 4.37Å; V166-F168 HydrophobicContact CG1-CE2 3.48Å; V166-F168 VanDerWaalsContact CG1-CE2 3.48Å; V166-F168 HydrophobicContact CG1-CZ 3.75Å; V166-F168 HydrophobicContact CG2-CD1 4.26Å; V166-F168 HydrophobicContact CG2-CD2 4.22Å; V166-F168 HydrophobicContact CG2-CE1 3.78Å; V166-F168 HydrophobicContact CG2-CE2 3.73Å; V166-F168 HydrophobicContact CG2-CG 4.48Å; V166-F168 HydrophobicContact CG2-CZ 3.49Å; V166-F168 VanDerWaalsContact CG2-CZ 3.49Å
167	T	92.1	Very high	86.2	Confident	21 Å²	21	29.6 Å²	29.6	13%	0.129	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	129	170	-52.8	0	0	0	0	108.6	T80 S81 V82 M110 E111 I169	T80-T167 HydrophobicContact CG2-CG2 3.77Å; S81-T167 CarbonylContact O-C 3.56Å; S81-T167 WeakPolarHBondContact O-CA 3.25Å; V82-T167 HydrophobicContact CG2-CG2 3.9Å; M110-T167 CarbonylContact C-O 3.57Å; M110-T167 WeakPolarHBondContact CA-O 3.42Å; E111-T167 PolarHBondContact N-O 3.16Å; E111-T167 PolarHBondContact O-N 2.92Å; T167-I169 HydrophobicContact CG2-CD1 4.49Å; T167-I169 HydrophobicContact CG2-CG1 4.1Å
168	F	91.1	Very high	87.6	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.4	171	-57.6	-81	0	0	0	108.9	T80 S81 I93 F95 F108 M110 V158 V166	T80-F168 CarbonylContact C-O 3.48Å; T80-F168 VanDerWaalsContact CA-O 3.24Å; T80-F168 WeakPolarHBondContact CA-O 3.34Å; S81-F168 PolarHBondContact N-O 2.92Å; S81-F168 PolarHBondContact O-N 2.82Å; I93-F168 HydrophobicContact CG2-CE2 4.34Å; F95-F168 HydrophobicContact CB-CB 4.32Å; F95-F168 HydrophobicContact CB-CD1 3.71Å; F95-F168 HydrophobicContact CB-CD2 3.83Å; F95-F168 HydrophobicContact CB-CE1 3.85Å; F95-F168 HydrophobicContact CB-CE2 3.95Å; F95-F168 HydrophobicContact CB-CG 3.68Å; F95-F168 HydrophobicContact CB-CZ 3.96Å; F95-F168 HydrophobicContact CD1-CB 4.08Å; F95-F168 HydrophobicContact CD1-CD1 4.44Å; F95-F168 HydrophobicContact CD1-CG 4.31Å; F95-F168 HydrophobicContact CD2-CB 3.45Å; F95-F168 VanDerWaalsContact CD2-CB 3.45Å; F95-F168 HydrophobicContact CD2-CD1 4.43Å; F95-F168 AromaticContact CD2-CD2 3.73Å; F95-F168 HydrophobicContact CD2-CD2 3.73Å; F95-F168 AromaticContact CD2-CG 3.63Å; F95-F168 HydrophobicContact CD2-CG 3.63Å; F95-F168 HydrophobicContact CE1-CB 4.22Å; F95-F168 HydrophobicContact CE2-CB 3.61Å; F95-F168 HydrophobicContact CE2-CG 4.31Å; F95-F168 HydrophobicContact CG-CB 3.68Å; F95-F168 AromaticContact CG-CD1 3.95Å; F95-F168 HydrophobicContact CG-CD1 3.95Å; F95-F168 AromaticContact CG-CD2 3.98Å; F95-F168 HydrophobicContact CG-CD2 3.98Å; F95-F168 AromaticContact CG-CG 3.6Å; F95-F168 HydrophobicContact CG-CG 3.6Å; F95-F168 HydrophobicContact CZ-CB 3.97Å; F108-F168 HydrophobicContact CE2-CB 4.31Å; F108-F168 HydrophobicContact CE2-CD1 4.3Å; F108-F168 AromaticContact CZ-CD1 3.95Å; F108-F168 HydrophobicContact CZ-CD1 3.95Å; M110-F168 HydrophobicContact CB-CD1 3.92Å; M110-F168 HydrophobicContact CB-CE1 4.23Å; V158-F168 HydrophobicContact CG1-CE1 3.72Å; V158-F168 HydrophobicContact CG1-CZ 3.53Å; V166-F168 HydrophobicContact CB-CE2 4.25Å; V166-F168 HydrophobicContact CB-CZ 4.29Å; V166-F168 HydrophobicContact CG1-CD2 4.37Å; V166-F168 HydrophobicContact CG1-CE2 3.48Å; V166-F168 VanDerWaalsContact CG1-CE2 3.48Å; V166-F168 HydrophobicContact CG1-CZ 3.75Å; V166-F168 HydrophobicContact CG2-CD1 4.26Å; V166-F168 HydrophobicContact CG2-CD2 4.22Å; V166-F168 HydrophobicContact CG2-CE1 3.78Å; V166-F168 HydrophobicContact CG2-CE2 3.73Å; V166-F168 HydrophobicContact CG2-CG 4.48Å; V166-F168 HydrophobicContact CG2-CZ 3.49Å; V166-F168 VanDerWaalsContact CG2-CZ 3.49Å
169	I	92.6	Very high	88.6	Confident	52 Å²	52	34 Å²	34	27%	0.267	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.9	177.1	-53.3	173.1	0	0	0	107.3	V78 M79 T80 F108 S109 T167	V78-I169 HydrophobicContact CG1-CG2 3.88Å; M79-I169 CarbonylContact O-C 3.56Å; M79-I169 WeakPolarHBondContact O-CA 3.08Å; T80-I169 HydrophobicContact CG2-CG1 4.1Å; F108-I169 CarbonylContact C-O 3.56Å; F108-I169 VanDerWaalsContact CA-O 3.27Å; F108-I169 WeakPolarHBondContact CA-O 3.46Å; F108-I169 VanDerWaalsContact CD2-O 3.3Å; F108-I169 WeakPolarHBondContact CD2-O 3.42Å; S109-I169 PolarHBondContact N-O 2.61Å; S109-I169 PolarHBondContact O-N 3.16Å; T167-I169 HydrophobicContact CG2-CD1 4.49Å; T167-I169 HydrophobicContact CG2-CG1 4.1Å
170	L	92.1	Very high	89.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.8	176.3	177.1	69	0	0	0	109.4	V78 M79 F95 V97 L99 I105 F108 F154 Y172	V78-L170 CarbonylContact C-O 3.49Å; V78-L170 WeakPolarHBondContact CA-O 3.45Å; M79-L170 HydrophobicContact CB-CB 4.47Å; M79-L170 PolarHBondContact N-O 3.09Å; M79-L170 PolarHBondContact O-N 3.12Å; F95-L170 HydrophobicContact CE1-CB 4Å; F95-L170 HydrophobicContact CE1-CD2 4.35Å; F95-L170 HydrophobicContact CZ-CB 4.11Å; V97-L170 HydrophobicContact CB-CD2 3.94Å; V97-L170 HydrophobicContact CG1-CD2 3.81Å; V97-L170 HydrophobicContact CG2-CD2 4.28Å; L99-L170 HydrophobicContact CD2-CD2 4.4Å; I105-L170 HydrophobicContact CD1-CD1 4.44Å; I105-L170 HydrophobicContact CG1-CD1 4.37Å; I105-L170 HydrophobicContact CG2-CD1 3.69Å; F108-L170 HydrophobicContact CB-CD1 4.03Å; F108-L170 HydrophobicContact CD2-CB 4.06Å; F108-L170 HydrophobicContact CD2-CD1 4.04Å; F108-L170 HydrophobicContact CG-CD1 4.42Å; F154-L170 HydrophobicContact CB-CD2 4.39Å; F154-L170 HydrophobicContact CD1-CD1 4.37Å; F154-L170 HydrophobicContact CD1-CD2 4.18Å; F154-L170 HydrophobicContact CD2-CD1 4.3Å; F154-L170 HydrophobicContact CE1-CD1 4.24Å; F154-L170 HydrophobicContact CE2-CD1 4.1Å; F154-L170 HydrophobicContact CG-CD1 4.4Å; F154-L170 HydrophobicContact CG-CD2 4.26Å; F154-L170 HydrophobicContact CZ-CD1 4.11Å; L170-Y172 HydrophobicContact CD2-CD1 4.34Å; L170-Y172 HydrophobicContact CG-CD1 4.35Å
171	T	92.8	Very high	90.5	Very high	14 Å²	14	36 Å²	36	9%	0.086	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	174.9	-49	0	0	0	0	110.1	H76 T77 V78 T106 N107	H76-T171 WeakPolarHBondContact CE1-CG2 3.35Å; T77-T171 WeakPolarHBondContact O-CA 3.42Å; V78-T171 HydrophobicContact CG2-CG2 4.07Å; T106-T171 PolarHBondContact N-O 3.4Å; T106-T171 WeakPolarHBondContact OG1-CG2 3.47Å; T106-T171 PolarHBondContact OG1-O 2.76Å; N107-T171 PolarHBondContact N-O 3.18Å; N107-T171 PolarHBondContact O-N 3.33Å
172	Y	93.5	Very high	91.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	152.5	173.1	60.6	-92.4	0	0	0	111.6	T77 M79 L99 A103 F104 L170	T77-Y172 HydrophobicContact CG2-CE1 3.85Å; T77-Y172 HydrophobicContact CG2-CE2 4.04Å; T77-Y172 VanDerWaalsContact CG2-CZ 3.48Å; T77-Y172 WeakPolarHBondContact CG2-OH 3.3Å; T77-Y172 PolarHBondContact N-O 2.79Å; T77-Y172 PolarHBondContact O-N 3.46Å; M79-Y172 HydrophobicContact CG-CE1 4.19Å; M79-Y172 HydrophobicContact SD-CE1 3.93Å; L99-Y172 HydrophobicContact CB-CD1 4.29Å; L99-Y172 HydrophobicContact CB-CD2 4.49Å; L99-Y172 HydrophobicContact CB-CE1 4.19Å; L99-Y172 HydrophobicContact CB-CE2 4.38Å; L99-Y172 HydrophobicContact CB-CG 4.42Å; A103-Y172 HydrophobicContact CB-CD2 3.69Å; A103-Y172 HydrophobicContact CB-CE2 4.47Å; A103-Y172 HydrophobicContact CB-CG 4.35Å; F104-Y172 VanDerWaalsContact O-CA 3.3Å; F104-Y172 WeakPolarHBondContact O-CA 3.24Å; F104-Y172 WeakPolarHBondContact O-CB 3.43Å; L170-Y172 HydrophobicContact CD2-CD1 4.34Å; L170-Y172 HydrophobicContact CG-CD1 4.35Å
173	E	93.5	Very high	92.2	Very high	5 Å²	5	35 Å²	35	2%	0.023	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.5	-175.8	-64.4	178.3	161.8	0	0	110.9	F74 A75 H76 A103 F104 T106 R572 F610	F74-E173 HydrophobicContact CE1-CB 4.07Å; F74-E173 HydrophobicContact CE1-CG 4.21Å; F74-E173 HydrophobicContact CE2-CB 4.45Å; F74-E173 HydrophobicContact CZ-CB 3.71Å; F74-E173 HydrophobicContact CZ-CG 4.28Å; A75-E173 CarbonylContact O-C 3.53Å; A75-E173 VanDerWaalsContact O-CA 3.25Å; A75-E173 WeakPolarHBondContact O-CA 3.39Å; H76-E173 HydrophobicContact CB-CG 4.46Å; H76-E173 IonicContact CE1-OE1 2.71Å; H76-E173 IonicContact ND1-OE1 2.73Å; H76-E173 PolarHBondContact ND1-OE1 3.35Å; A103-E173 CarbonylContact C-O 3.54Å; A103-E173 VanDerWaalsContact CA-O 3.24Å; A103-E173 WeakPolarHBondContact CA-O 3.43Å; F104-E173 PolarHBondContact N-O 3.38Å; F104-E173 PolarHBondContact O-N 3.13Å; T106-E173 HydrophobicContact CG2-CB 4.22Å; T106-E173 HydrophobicContact CG2-CG 3.87Å; T106-E173 WeakPolarHBondContact CG2-OE2 3.05Å; E173-R572 IonicContact OE1-CZ 3.97Å; E173-R572 IonicContact OE1-NE 3.92Å; E173-R572 PolarHBondContact OE1-NE 3.38Å; E173-R572 IonicContact OE1-NH2 2.66Å; E173-R572 IonicContact OE2-CZ 2.65Å; E173-R572 VanDerWaalsContact OE2-CZ 3.22Å; E173-R572 IonicContact OE2-NE 2.8Å; E173-R572 PolarHBondContact OE2-NE 3.11Å; E173-R572 IonicContact OE2-NH2 3.56Å; E173-R572 PolarHBondContact OE2-NH2 2.99Å; E173-F610 HydrophobicContact CB-CE1 4.43Å; E173-F610 WeakPolarHBondContact OE2-CE1 3.37Å
174	E	94	Very high	92.7	Very high	8 Å²	8	31 Å²	31	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.6	175.4	66	178.7	167.7	0	0	113	F74 A75 P100 S102 A103 L176	F74-E174 WeakPolarHBondContact CA-O 3.32Å; A75-E174 HydrophobicContact CB-CG 3.84Å; A75-E174 PolarHBondContact N-O 3.16Å; A75-E174 PolarHBondContact O-N 3.42Å; P100-E174 VanDerWaalsContact CB-OE2 3.26Å; P100-E174 WeakPolarHBondContact CB-OE2 3.45Å; S102-E174 PolarHBondContact OG-OE2 2.99Å; A103-E174 HydrophobicContact CB-CB 3.98Å; E174-L176 HydrophobicContact CG-CD2 4Å
175	L	95.3	Very high	93.3	Very high	12 Å²	12	30 Å²	30	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.8	163.6	-179.3	63.4	0	0	0	108.7	R73 F74 Q177 F288 V518 L573 Y576 L577	R73-L175 HydrophobicContact CB-CD1 4.19Å; F74-L175 HydrophobicContact CD2-CB 4.36Å; L175-Q177 PolarHBondContact O-N 3.03Å; L175-F288 HydrophobicContact CD1-CE1 4.47Å; L175-V518 HydrophobicContact CD2-CG1 4.24Å; L175-L573 HydrophobicContact CD1-CD1 4.01Å; L175-L573 HydrophobicContact CD1-CD2 4.44Å; L175-L573 HydrophobicContact CD1-CG 4.15Å; L175-L573 HydrophobicContact CD2-CD2 4.39Å; L175-Y576 HydrophobicContact CB-CD1 3.78Å; L175-Y576 HydrophobicContact CB-CE1 3.45Å; L175-Y576 VanDerWaalsContact CB-CE1 3.45Å; L175-L577 HydrophobicContact CD2-CD1 4.25Å
176	L	96.3	Very high	93.5	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-65.5	128.5	178.5	-59.3	176.9	0	0	0	110	V70 R73 A75 E174 Y183 I185 Y267	V70-L176 HydrophobicContact CG1-CD1 3.87Å; V70-L176 HydrophobicContact CG2-CD1 4.35Å; R73-L176 HydrophobicContact CB-CB 4.32Å; R73-L176 WeakPolarHBondContact O-CB 3.42Å; R73-L176 WeakPolarHBondContact O-CG 3.23Å; R73-L176 PolarHBondContact O-N 3.07Å; A75-L176 HydrophobicContact CB-CD1 4.4Å; A75-L176 HydrophobicContact CB-CD2 4.19Å; A75-L176 HydrophobicContact CB-CG 4.2Å; E174-L176 HydrophobicContact CG-CD2 4Å; L176-Y183 HydrophobicContact CB-CD1 4.01Å; L176-I185 HydrophobicContact CD1-CD1 4.28Å; L176-I185 HydrophobicContact CD1-CG1 3.74Å; L176-I185 HydrophobicContact CD2-CG1 4.13Å; L176-Y267 HydrophobicContact CD1-CE1 3.76Å
177	Q	94.1	Very high	93.8	Very high	121 Å²	121	27.4 Å²	27.4	57%	0.565	14%	0.137	S	C	*	.	P	Polyproline II helix	trans	-95.7	128	178.4	-66	-176.5	-16.3	0	0	110.1	L175 K179	L175-Q177 PolarHBondContact O-N 3.03Å; Q177-K179 PolarHBondContact O-N 2.96Å; Q177-K179 VanDerWaalsContact OE1-CE 3.29Å
178	R	95.1	Very high	93.8	Very high	36 Å²	36	28.8 Å²	28.8	14%	0.136	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-73.3	122.8	172.9	-161	-177.2	-177.9	-120.8	1.1	110.3	G181 Q182 Y183 D268 S515 E516	R178-G181 PolarHBondContact NH2-O 3.35Å; R178-Q182 WeakPolarHBondContact CA-O 3.4Å; R178-Y183 HydrophobicContact CB-CD1 3.98Å; R178-Y183 HydrophobicContact CB-CE1 3.53Å; R178-Y183 HydrophobicContact CG-CD1 4.46Å; R178-Y183 HydrophobicContact CG-CE1 4.13Å; R178-Y183 HydrophobicContact CG-CE2 4.47Å; R178-D268 IonicContact CZ-OD2 3.58Å; R178-D268 IonicContact NE-OD1 3.43Å; R178-D268 PolarHBondContact NE-OD1 2.6Å; R178-D268 IonicContact NE-OD2 3.5Å; R178-D268 PolarHBondContact NE-OD2 3.12Å; R178-D268 IonicContact NH2-OD2 3.72Å; R178-D268 PolarHBondContact NH2-OD2 2.94Å; R178-S515 PolarHBondContact NH1-O 3.34Å; R178-E516 HydrophobicContact CB-CB 3.85Å
179	K	91.8	Very high	93.7	Very high	75 Å²	75	29 Å²	29	33%	0.326	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-137.3	139.2	176.3	-65.6	-179.6	179.6	166.9	0	109.1	Q177 G181 Q182 E482 G514	Q177-K179 PolarHBondContact O-N 2.96Å; Q177-K179 VanDerWaalsContact OE1-CE 3.29Å; K179-G181 PolarHBondContact O-N 3.41Å; K179-G181 VanDerWaalsContact O-N 3.07Å; K179-Q182 PolarHBondContact N-O 2.94Å; K179-Q182 PolarHBondContact O-N 3.45Å; K179-Q182 VanDerWaalsContact O-N 3.11Å; K179-E482 VanDerWaalsContact CD-OE1 3.32Å; K179-E482 WeakPolarHBondContact CD-OE1 3.39Å; K179-E482 VanDerWaalsContact CE-OE1 3.26Å; K179-E482 WeakPolarHBondContact CE-OE1 3.4Å; K179-G514 CarbonylContact C-O 3.57Å
180	L	90.8	Very high	93.5	Very high	72 Å²	72	30.9 Å²	30.9	38%	0.377	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.8	-179.6	-52.6	176.7	0	0	0	112.3	E481 G514	L180-E481 HydrophobicContact CD2-CB 3.62Å; L180-G514 PolarHBondContact N-O 3.19Å
181	G	92.7	Very high	93.1	Very high	19 Å²	19	32.1 Å²	32.1	20%	0.196	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	9.7	175.2	0	0	0	0	0	116.1	R178 K179 G514	R178-G181 PolarHBondContact NH2-O 3.35Å; K179-G181 PolarHBondContact O-N 3.41Å; K179-G181 VanDerWaalsContact O-N 3.07Å; G181-G514 VanDerWaalsContact N-CA 3.28Å; G181-G514 PolarHBondContact N-O 3.27Å
182	Q	95.3	Very high	92.5	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.248	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-148.1	157.2	-177.1	61.6	-163.3	-19.6	0	0	112.5	R178 K179	R178-Q182 WeakPolarHBondContact CA-O 3.4Å; K179-Q182 PolarHBondContact N-O 2.94Å; K179-Q182 PolarHBondContact O-N 3.45Å; K179-Q182 VanDerWaalsContact O-N 3.11Å
183	Y	97.3	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	144	166.1	-53.5	-81.3	0	0	0	109.2	R73 L176 R178 K266 Y267 D268 V269 R271 E516	R73-Y183 HydrophobicContact CB-CE1 4.29Å; R73-Y183 HydrophobicContact CG-CD1 3.98Å; R73-Y183 HydrophobicContact CG-CE1 3.39Å; R73-Y183 HydrophobicContact CG-CE2 4.06Å; R73-Y183 VanDerWaalsContact CG-CZ 3.45Å; R73-Y183 PolarHBondContact NE-OH 3.46Å; L176-Y183 HydrophobicContact CB-CD1 4.01Å; R178-Y183 HydrophobicContact CB-CD1 3.98Å; R178-Y183 HydrophobicContact CB-CE1 3.53Å; R178-Y183 HydrophobicContact CG-CD1 4.46Å; R178-Y183 HydrophobicContact CG-CE1 4.13Å; R178-Y183 HydrophobicContact CG-CE2 4.47Å; Y183-K266 VanDerWaalsContact O-CA 3.31Å; Y183-K266 WeakPolarHBondContact O-CA 3.49Å; Y183-Y267 HydrophobicContact CD2-CD2 4.14Å; Y183-Y267 HydrophobicContact CD2-CE1 4.33Å; Y183-Y267 AromaticContact CD2-CE2 3.76Å; Y183-Y267 HydrophobicContact CD2-CE2 3.76Å; Y183-Y267 AromaticContact CD2-CZ 3.88Å; Y183-Y267 WeakPolarHBondContact CD2-O 3.41Å; Y183-Y267 HydrophobicContact CE2-CE2 4.37Å; Y183-Y267 HydrophobicContact CG-CE1 4.25Å; Y183-Y267 HydrophobicContact CG-CE2 4.43Å; Y183-Y267 PolarHBondContact N-O 2.79Å; Y183-Y267 PolarHBondContact O-N 2.81Å; Y183-Y267 VanDerWaalsContact O-N 3.11Å; Y183-D268 WeakPolarHBondContact CE2-OD1 2.92Å; Y183-V269 HydrophobicContact CE2-CG1 4.47Å; Y183-V269 HydrophobicContact CE2-CG2 4.46Å; Y183-R271 PolarHBondContact OH-NH2 3.41Å; Y183-E516 PolarHBondContact OH-OE1 3.32Å; Y183-E516 PolarHBondContact OH-OE2 3.07Å
184	E	95.9	Very high	92	Very high	59 Å²	59	38.7 Å²	38.7	28%	0.276	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.1	179.8	-179.6	174.9	100.3	0	0	109.3	K150 I264 K266	K150-E184 IonicContact NZ-OE1 3.66Å; K150-E184 PolarHBondContact NZ-OE1 3.28Å; E184-I264 HydrophobicContact CG-CG2 3.97Å; E184-K266 WeakPolarHBondContact OE2-CE 3.43Å; E184-K266 IonicContact OE2-NZ 2.79Å
185	I	96.3	Very high	91.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.5	167.8	-53	165.6	0	0	0	106.7	V70 L176 I187 T202 I204 I264 I265 Y267	V70-I185 HydrophobicContact CG2-CD1 3.62Å; V70-I185 HydrophobicContact CG2-CG1 4.47Å; L176-I185 HydrophobicContact CD1-CD1 4.28Å; L176-I185 HydrophobicContact CD1-CG1 3.74Å; L176-I185 HydrophobicContact CD2-CG1 4.13Å; I185-I187 HydrophobicContact CG2-CD1 4.34Å; I185-I187 HydrophobicContact CG2-CG1 4.2Å; I185-T202 HydrophobicContact CD1-CG2 4.15Å; I185-I204 HydrophobicContact CD1-CD1 4.09Å; I185-I204 HydrophobicContact CD1-CG1 4.4Å; I185-I264 WeakPolarHBondContact O-CA 3.24Å; I185-I265 HydrophobicContact CB-CB 4.21Å; I185-I265 HydrophobicContact CD1-CB 4.3Å; I185-I265 HydrophobicContact CD1-CG2 4.43Å; I185-I265 PolarHBondContact N-O 3.37Å; I185-I265 PolarHBondContact O-N 3.47Å; I185-Y267 HydrophobicContact CD1-CE1 4.26Å
186	L	94	Very high	91.7	Very high	15 Å²	15	43 Å²	43	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.7	-176.2	179.4	65.1	0	0	0	110.3	K150 M151 D262 I264	K150-L186 HydrophobicContact CB-CD2 4.32Å; K150-L186 HydrophobicContact CD-CD2 4.17Å; M151-L186 HydrophobicContact CE-CD2 4.28Å; M151-L186 HydrophobicContact CE-CG 4.13Å; M151-L186 HydrophobicContact CG-CD2 4.42Å; M151-L186 HydrophobicContact SD-CD2 3.68Å; M151-L186 HydrophobicContact SD-CG 4.16Å; L186-D262 HydrophobicContact CD1-CB 3.68Å; L186-I264 HydrophobicContact CD1-CD1 4.28Å; L186-I264 HydrophobicContact CD1-CG1 3.67Å
187	I	94	Very high	91.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.5	178.2	-62.4	169	0	0	0	108.5	V66 C68 M79 I185 V189 I200 F263	V66-I187 HydrophobicContact CB-CG2 4.49Å; V66-I187 HydrophobicContact CG1-CD1 4.1Å; V66-I187 HydrophobicContact CG1-CG2 3.88Å; V66-I187 HydrophobicContact CG2-CG2 4.38Å; C68-I187 HydrophobicContact CB-CD1 4.27Å; M79-I187 HydrophobicContact CE-CG2 3.86Å; I185-I187 HydrophobicContact CG2-CD1 4.34Å; I185-I187 HydrophobicContact CG2-CG1 4.2Å; I187-V189 HydrophobicContact CG2-CG1 4.04Å; I187-I200 HydrophobicContact CD1-CG2 4.02Å; I187-F263 HydrophobicContact CB-CB 4.33Å; I187-F263 PolarHBondContact N-O 2.8Å; I187-F263 PolarHBondContact O-N 3.04Å
188	R	91.1	Very high	91.6	Very high	49 Å²	49	43.7 Å²	43.7	19%	0.185	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124	177.1	178.6	163.5	-76.7	159.9	10.9	111	E98 M151 K190 D262	E98-R188 HydrophobicContact CB-CB 4.25Å; E98-R188 HydrophobicContact CB-CG 4.25Å; E98-R188 VanDerWaalsContact CD-CD 3.48Å; E98-R188 WeakPolarHBondContact OE2-CD 3.16Å; E98-R188 IonicContact OE2-CZ 2.83Å; E98-R188 IonicContact OE2-NE 3.96Å; E98-R188 IonicContact OE2-NH1 3.7Å; E98-R188 PolarHBondContact OE2-NH1 2.88Å; M151-R188 HydrophobicContact CE-CB 3.7Å; R188-K190 HydrophobicContact CG-CD 4.45Å; R188-K190 HydrophobicContact CG-CG 4.29Å; R188-D262 IonicContact CZ-OD1 3.22Å; R188-D262 VanDerWaalsContact CZ-OD1 3.23Å; R188-D262 IonicContact CZ-OD2 2.57Å; R188-D262 IonicContact NE-OD1 3.21Å; R188-D262 PolarHBondContact NE-OD1 3.4Å; R188-D262 IonicContact NE-OD2 3.91Å; R188-D262 VanDerWaalsContact NH2-CG 3.29Å; R188-D262 IonicContact NH2-OD1 2.77Å; R188-D262 PolarHBondContact NH2-OD1 3.48Å; R188-D262 IonicContact NH2-OD2 3.22Å; R188-D262 PolarHBondContact NH2-OD2 2.93Å
189	V	88.8	Confident	91.7	Very high	8 Å²	8	45.6 Å²	45.6	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.2	-178.3	-73.3	0	0	0	0	110.9	V66 I187 F198 I200 F219 I259 G261	V66-V189 HydrophobicContact CG2-CG1 4.4Å; I187-V189 HydrophobicContact CG2-CG1 4.04Å; V189-F198 HydrophobicContact CB-CE2 4.36Å; V189-F198 HydrophobicContact CB-CZ 3.93Å; V189-F198 HydrophobicContact CG1-CE2 4.48Å; V189-F198 HydrophobicContact CG1-CZ 3.93Å; V189-F198 HydrophobicContact CG2-CZ 4.08Å; V189-I200 HydrophobicContact CG1-CD1 4.04Å; V189-I200 HydrophobicContact CG2-CD1 4.22Å; V189-F219 HydrophobicContact CG2-CE1 3.53Å; V189-F219 HydrophobicContact CG2-CZ 3.62Å; V189-I259 HydrophobicContact CB-CG2 4.15Å; V189-I259 HydrophobicContact CG2-CG2 3.7Å; V189-G261 PolarHBondContact N-O 2.02Å; V189-G261 PolarHBondContact O-N 3.26Å
190	K	87.9	Confident	91.9	Very high	91 Å²	91	42 Å²	42	40%	0.396	21%	0.207	S	C	.	.			trans	-143.3	67	-178.4	-59.4	-171.5	174.6	172.2	0	111.1	R188 K192 D260	R188-K190 HydrophobicContact CG-CD 4.45Å; R188-K190 HydrophobicContact CG-CG 4.29Å; K190-K192 WeakPolarHBondContact O-CG 3.5Å; K190-K192 PolarHBondContact O-N 2.87Å; K190-D260 VanDerWaalsContact CD-OD1 3.27Å; K190-D260 WeakPolarHBondContact CD-OD1 3.32Å; K190-D260 VanDerWaalsContact CE-OD1 3.27Å; K190-D260 WeakPolarHBondContact CE-OD1 3.07Å; K190-D260 VanDerWaalsContact CG-OD1 3.27Å; K190-D260 WeakPolarHBondContact CG-OD1 3.27Å
191	P	84.6	Confident	92.2	Very high	25 Å²	25	39 Å²	39	16%	0.162	19%	0.192	C	C	.	.			trans	-63.8	-24.4	-178.4	23.8	-34.3	0	0	0	114.1	S193 V195 F198 T257 I259	P191-S193 PolarHBondContact O-N 2.8Å; P191-V195 HydrophobicContact CB-CG2 3.6Å; P191-V195 HydrophobicContact CG-CG2 4.3Å; P191-F198 HydrophobicContact CG-CE2 4.27Å; P191-T257 HydrophobicContact CG-CG2 4.31Å; P191-I259 WeakPolarHBondContact CD-O 3.2Å; P191-I259 HydrophobicContact CG-CB 4.08Å; P191-I259 HydrophobicContact CG-CG2 4.05Å
192	K	81.1	Confident	92.4	Very high	91 Å²	91	38.1 Å²	38.1	40%	0.396	18%	0.183	S	C	.	.			trans	62.1	-23.7	-179.7	-54.5	-170.2	178.1	-142.3	0	116.8	A29 L30 K190	A29-K192 PolarHBondContact O-NZ 3.38Å; L30-K192 HydrophobicContact CB-CD 4.17Å; L30-K192 WeakPolarHBondContact O-CD 3.1Å; L30-K192 VanDerWaalsContact O-CE 3.25Å; L30-K192 WeakPolarHBondContact O-CE 3.28Å; L30-K192 PolarHBondContact O-NZ 3.17Å; K190-K192 WeakPolarHBondContact O-CG 3.5Å; K190-K192 PolarHBondContact O-N 2.87Å
193	S	85.1	Confident	92.4	Very high	40 Å²	40	38.7 Å²	38.7	28%	0.28	19%	0.187	S	C	.	.	S	Bend	trans	-110.8	168.1	166	65.2	0	0	0	0	110.4	P191 T257	P191-S193 PolarHBondContact O-N 2.8Å; S193-T257 WeakPolarHBondContact O-CG2 3.45Å
194	L	90.1	Very high	92.2	Very high	28 Å²	28	38.9 Å²	38.9	15%	0.147	19%	0.188	C	C	.	.			trans	-66.2	144.8	163.6	-59.3	169.5	0	0	0	109	V245 Q248 R249	L194-V245 HydrophobicContact CB-CG1 4.24Å; L194-V245 HydrophobicContact CD1-CG1 4.2Å; L194-Q248 HydrophobicContact CD2-CB 3.79Å; L194-R249 HydrophobicContact CD1-CG 3.81Å; L194-R249 HydrophobicContact CD2-CB 4.43Å; L194-R249 HydrophobicContact CD2-CG 3.77Å; L194-R249 HydrophobicContact CG-CG 4.47Å
195	V	92.1	Very high	92	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.			trans	-122.5	129.7	-178.8	-177.4	0	0	0	0	108.5	V61 V64 P191 Q197 F198 V245 Q248	V61-V195 HydrophobicContact CB-CG2 4.35Å; V61-V195 HydrophobicContact CG1-CG1 4.28Å; V61-V195 HydrophobicContact CG1-CG2 4.09Å; V64-V195 HydrophobicContact CB-CG1 4.3Å; V64-V195 HydrophobicContact CG2-CG1 4.04Å; V64-V195 HydrophobicContact CG2-CG2 4.08Å; P191-V195 HydrophobicContact CB-CG2 3.6Å; P191-V195 HydrophobicContact CG-CG2 4.3Å; V195-Q197 VanDerWaalsContact C-N 3.33Å; V195-Q197 WeakPolarHBondContact CG1-O 3.28Å; V195-Q197 PolarHBondContact O-N 2.88Å; V195-F198 HydrophobicContact CB-CB 4.39Å; V195-F198 HydrophobicContact CG1-CB 4.46Å; V195-V245 WeakPolarHBondContact O-CG2 3.23Å; V195-Q248 PolarHBondContact O-NE2 3.44Å; V195-Q248 PolarHBondContact O-OE1 3.09Å
196	E	90.6	Very high	91.7	Very high	110 Å²	110	36.7 Å²	36.7	51%	0.514	18%	0.177	S	C	.	.	S	Bend	trans	-61.4	-43.8	-178.9	-57	-168.4	155.2	0	0	111.7	L62	L62-E196 WeakPolarHBondContact O-CB 3.28Å; L62-E196 PolarHBondContact O-N 2.85Å
197	Q	94	Very high	91.2	Very high	135 Å²	135	36.7 Å²	36.7	63%	0.631	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	98.4	178.6	-64.2	-176.8	-11.2	0	0	110.8	L62 S63 V64 V195	L62-Q197 PolarHBondContact O-N 2.83Å; S63-Q197 CarbonylContact C-O 3.57Å; S63-Q197 WeakPolarHBondContact CA-O 3.31Å; V64-Q197 PolarHBondContact N-O 2.8Å; V195-Q197 VanDerWaalsContact C-N 3.33Å; V195-Q197 WeakPolarHBondContact CG1-O 3.28Å; V195-Q197 PolarHBondContact O-N 2.88Å
198	F	95.3	Very high	90.9	Very high	8 Å²	8	39 Å²	39	4%	0.035	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.6	172.6	-170.3	-81.8	0	0	0	109.9	V64 V189 P191 V195 I200 F241 S242 P243 I259	V64-F198 HydrophobicContact CB-CD2 3.99Å; V64-F198 HydrophobicContact CB-CE2 4.27Å; V64-F198 HydrophobicContact CG1-CD2 4.28Å; V64-F198 HydrophobicContact CG1-CE2 4.05Å; V64-F198 WeakPolarHBondContact O-CA 3.33Å; V189-F198 HydrophobicContact CB-CE2 4.36Å; V189-F198 HydrophobicContact CB-CZ 3.93Å; V189-F198 HydrophobicContact CG1-CE2 4.48Å; V189-F198 HydrophobicContact CG1-CZ 3.93Å; V189-F198 HydrophobicContact CG2-CZ 4.08Å; P191-F198 HydrophobicContact CG-CE2 4.27Å; V195-F198 HydrophobicContact CB-CB 4.39Å; V195-F198 HydrophobicContact CG1-CB 4.46Å; F198-I200 HydrophobicContact CE1-CD1 3.83Å; F198-I200 HydrophobicContact CE1-CG1 3.73Å; F198-I200 HydrophobicContact CZ-CD1 4.03Å; F198-I200 HydrophobicContact CZ-CG1 4.11Å; F198-F241 HydrophobicContact CD1-CD1 4.29Å; F198-F241 HydrophobicContact CD1-CE1 4.23Å; F198-F241 AromaticContact CE1-CD1 3.85Å; F198-F241 HydrophobicContact CE1-CD1 3.85Å; F198-F241 AromaticContact CE1-CE1 3.85Å; F198-F241 HydrophobicContact CE1-CE1 3.85Å; F198-S242 WeakPolarHBondContact O-CA 3.49Å; F198-P243 HydrophobicContact CB-CG 4.41Å; F198-P243 HydrophobicContact CD1-CG 3.99Å; F198-P243 HydrophobicContact CG-CG 4.47Å; F198-I259 HydrophobicContact CD1-CD1 3.88Å; F198-I259 HydrophobicContact CD2-CD1 3.99Å; F198-I259 HydrophobicContact CE1-CD1 3.93Å; F198-I259 HydrophobicContact CE2-CD1 4.06Å; F198-I259 HydrophobicContact CE2-CG2 3.99Å; F198-I259 HydrophobicContact CG-CD1 3.89Å; F198-I259 HydrophobicContact CZ-CD1 4.02Å; F198-I259 HydrophobicContact CZ-CG2 3.8Å
199	Q	96.4	Very high	90.9	Very high	76 Å²	76	36.7 Å²	36.7	36%	0.355	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	131.9	176.5	179.3	167.3	18.7	0	0	111.5	V64 T65 V66 F241 S242	V64-Q199 PolarHBondContact O-N 3.2Å; T65-Q199 CarbonylContact C-O 3.57Å; T65-Q199 VanDerWaalsContact CA-O 3.27Å; T65-Q199 WeakPolarHBondContact CA-O 3.45Å; T65-Q199 HydrophobicContact CG2-CB 4.28Å; V66-Q199 PolarHBondContact N-O 3.28Å; Q199-F241 WeakPolarHBondContact CA-O 3.44Å; Q199-S242 WeakPolarHBondContact CG-OG 3.34Å
200	I	96.6	Very high	91.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.2	160.7	-58.9	171.3	0	0	0	106.6	V66 I187 V189 F198 S240 F241 F263	V66-I200 HydrophobicContact CB-CG1 4.26Å; V66-I200 HydrophobicContact CB-CG2 4.45Å; V66-I200 HydrophobicContact CG2-CG1 4.34Å; V66-I200 CarbonylContact O-C 3.6Å; V66-I200 WeakPolarHBondContact O-CA 3.39Å; I187-I200 HydrophobicContact CD1-CG2 4.02Å; V189-I200 HydrophobicContact CG1-CD1 4.04Å; V189-I200 HydrophobicContact CG2-CD1 4.22Å; F198-I200 HydrophobicContact CE1-CD1 3.83Å; F198-I200 HydrophobicContact CE1-CG1 3.73Å; F198-I200 HydrophobicContact CZ-CD1 4.03Å; F198-I200 HydrophobicContact CZ-CG1 4.11Å; I200-S240 CarbonylContact O-C 3.23Å; I200-S240 VanDerWaalsContact O-CA 3.27Å; I200-S240 WeakPolarHBondContact O-CA 3.45Å; I200-F241 HydrophobicContact CB-CB 4.43Å; I200-F241 HydrophobicContact CD1-CD1 4.22Å; I200-F241 PolarHBondContact N-O 3.32Å; I200-F241 PolarHBondContact O-N 2.79Å; I200-F263 HydrophobicContact CD1-CB 3.96Å; I200-F263 HydrophobicContact CD1-CD1 4.45Å; I200-F263 HydrophobicContact CD1-CD2 4.04Å; I200-F263 HydrophobicContact CD1-CG 3.9Å; I200-F263 HydrophobicContact CG2-CD1 4.15Å; I200-F263 HydrophobicContact CG2-CE1 4.23Å
201	S	96.5	Very high	91.6	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.8	179.8	179.8	0	0	0	0	108.1	V66 D67 C68 H238 I239	V66-S201 PolarHBondContact O-N 2.88Å; D67-S201 WeakPolarHBondContact CA-O 3.16Å; D67-S201 WeakPolarHBondContact OD1-CB 3.31Å; C68-S201 PolarHBondContact N-O 2.89Å; S201-H238 PolarHBondContact OG-CE1 2.78Å; S201-I239 CarbonylContact C-O 3.58Å; S201-I239 WeakPolarHBondContact CA-O 3.32Å
202	T	97.1	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.8	178	-55.9	0	0	0	0	110.7	C68 I185 I204 H238 I239 I265	C68-T202 HydrophobicContact CB-CG2 3.98Å; C68-T202 CarbonylContact O-C 3.54Å; C68-T202 WeakPolarHBondContact O-CA 3.49Å; I185-T202 HydrophobicContact CD1-CG2 4.15Å; T202-I204 HydrophobicContact CG2-CG1 4.01Å; T202-H238 CarbonylContact O-C 3.46Å; T202-H238 WeakPolarHBondContact O-CA 3.5Å; T202-I239 PolarHBondContact N-O 2.75Å; T202-I239 PolarHBondContact O-N 3.15Å; T202-I265 HydrophobicContact CG2-CD1 3.62Å; T202-I265 VanDerWaalsContact OG1-CD1 3.29Å; T202-I265 WeakPolarHBondContact OG1-CD1 3.16Å
203	N	95	Very high	92.9	Very high	65 Å²	65	34.3 Å²	34.3	35%	0.348	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.6	174.3	-62.6	-58.5	0	0	0	108.7	C68 T69 V70 A237 H238	C68-N203 PolarHBondContact O-N 2.84Å; T69-N203 CarbonylContact C-O 3.59Å; T69-N203 WeakPolarHBondContact CA-O 3.37Å; T69-N203 HydrophobicContact CG2-CB 4.27Å; V70-N203 PolarHBondContact N-O 2.75Å; N203-A237 CarbonylContact C-O 3.59Å; N203-A237 WeakPolarHBondContact CA-O 3.32Å; N203-H238 PolarHBondContact OD1-ND1 2.57Å
204	I	94.6	Very high	93.3	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.3	176.4	-55.5	175.7	0	0	0	108.2	V70 I185 T202 E206 L210 K236 A237 I239 I265 Y267	V70-I204 HydrophobicContact CB-CB 4.49Å; V70-I204 HydrophobicContact CB-CG1 4.3Å; V70-I204 HydrophobicContact CB-CG2 4.32Å; V70-I204 HydrophobicContact CG2-CG1 4.35Å; I185-I204 HydrophobicContact CD1-CD1 4.09Å; I185-I204 HydrophobicContact CD1-CG1 4.4Å; T202-I204 HydrophobicContact CG2-CG1 4.01Å; I204-E206 HydrophobicContact CG2-CG 4.06Å; I204-L210 HydrophobicContact CG2-CD2 3.93Å; I204-K236 CarbonylContact O-C 3.58Å; I204-K236 VanDerWaalsContact O-CA 3.25Å; I204-K236 WeakPolarHBondContact O-CA 3.37Å; I204-A237 HydrophobicContact CB-CB 4.27Å; I204-A237 PolarHBondContact N-O 3.23Å; I204-A237 PolarHBondContact O-N 3.25Å; I204-I239 HydrophobicContact CD1-CD1 4.01Å; I204-I239 HydrophobicContact CG1-CD1 4.4Å; I204-I265 HydrophobicContact CD1-CG2 4.01Å; I204-Y267 HydrophobicContact CD1-CD1 3.93Å; I204-Y267 HydrophobicContact CD1-CE1 4.29Å; I204-Y267 HydrophobicContact CD1-CG 4.25Å; I204-Y267 HydrophobicContact CG2-CD2 4.32Å; I204-Y267 HydrophobicContact CG2-CE1 4.45Å; I204-Y267 HydrophobicContact CG2-CE2 4.04Å
205	Y	90.3	Very high	93.5	Very high	15 Å²	15	35.5 Å²	35.5	6%	0.059	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.4	174.4	-176.6	-110.9	0	0	0	111.7	V70 T71 N72 P207 K235 K236 Y559	V70-Y205 PolarHBondContact O-N 3.28Å; T71-Y205 WeakPolarHBondContact CA-O 3.5Å; T71-Y205 HydrophobicContact CG2-CD1 4.26Å; N72-Y205 PolarHBondContact N-O 3.21Å; Y205-P207 HydrophobicContact CE1-CG 4Å; Y205-K235 WeakPolarHBondContact CA-O 3.32Å; Y205-K235 HydrophobicContact CD2-CB 4.34Å; Y205-K235 VanDerWaalsContact CD2-O 3.26Å; Y205-K235 WeakPolarHBondContact CD2-O 2.99Å; Y205-K235 HydrophobicContact CE2-CB 3.73Å; Y205-K236 HydrophobicContact CD2-CD 4.28Å; Y205-K236 HydrophobicContact CD2-CG 3.48Å; Y205-K236 VanDerWaalsContact CD2-CG 3.48Å; Y205-K236 HydrophobicContact CE2-CG 4.06Å; Y205-Y559 AromaticContact CE1-CE1 3.47Å; Y205-Y559 HydrophobicContact CE1-CE1 3.47Å; Y205-Y559 VanDerWaalsContact CE1-CE1 3.47Å; Y205-Y559 AromaticContact CE1-CZ 3.54Å; Y205-Y559 WeakPolarHBondContact CE1-OH 3.44Å; Y205-Y559 HydrophobicContact CE2-CE1 4.25Å; Y205-Y559 AromaticContact CZ-CE1 3.31Å; Y205-Y559 AromaticContact CZ-CZ 3.67Å; Y205-Y559 VanDerWaalsContact CZ-OH 3.27Å; Y205-Y559 WeakPolarHBondContact OH-CE1 3.26Å; Y205-Y559 PolarHBondContact OH-OH 3.07Å
206	E	91.1	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-132.9	113	-178.2	-66.5	-68.4	175.5	0	0	110.2	N72 R73 I204 Q208 G209 L210 K235 Y267 V269	N72-E206 WeakPolarHBondContact CA-OE2 3.38Å; R73-E206 WeakPolarHBondContact CD-OE1 3.38Å; R73-E206 WeakPolarHBondContact CD-OE2 3.41Å; R73-E206 IonicContact CZ-OE2 2.66Å; R73-E206 PolarHBondContact N-OE1 3.32Å; R73-E206 IonicContact NE-OE2 3.94Å; R73-E206 IonicContact NH1-OE2 3.16Å; R73-E206 PolarHBondContact NH1-OE2 3.42Å; I204-E206 HydrophobicContact CG2-CG 4.06Å; E206-Q208 PolarHBondContact O-N 2.84Å; E206-G209 PolarHBondContact O-N 3.07Å; E206-L210 HydrophobicContact CB-CD2 3.98Å; E206-L210 HydrophobicContact CG-CD2 3.76Å; E206-K235 PolarHBondContact N-O 3.04Å; E206-K235 WeakPolarHBondContact O-CB 3.38Å; E206-Y267 HydrophobicContact CG-CE2 3.81Å; E206-Y267 WeakPolarHBondContact OE1-CE2 3.46Å; E206-Y267 PolarHBondContact OE1-OH 2.6Å; E206-V269 HydrophobicContact CB-CG1 3.8Å; E206-V269 HydrophobicContact CG-CG1 3.67Å
207	P	83.8	Confident	93.3	Very high	15 Å²	15	33.9 Å²	33.9	10%	0.097	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.8	-176.9	-28	36.5	0	0	0	114.6	N72 Y205 G209 K235	N72-P207 WeakPolarHBondContact OD1-CD 3.17Å; N72-P207 VanDerWaalsContact OD1-CG 3.26Å; N72-P207 WeakPolarHBondContact OD1-CG 3.33Å; Y205-P207 HydrophobicContact CE1-CG 4Å; P207-G209 PolarHBondContact O-N 2.82Å; P207-K235 WeakPolarHBondContact O-CD 3.48Å; P207-K235 VanDerWaalsContact O-CE 3.23Å; P207-K235 WeakPolarHBondContact O-CE 3.49Å; P207-K235 PolarHBondContact O-NZ 3.32Å
208	Q	87.1	Confident	93.1	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.238	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.5	176.3	-62.1	178.6	25.2	0	0	112.8	E206 V269 N270 D277	E206-Q208 PolarHBondContact O-N 2.84Å; Q208-V269 HydrophobicContact CB-CB 4.32Å; Q208-N270 PolarHBondContact OE1-O 2.97Å; Q208-N270 VanDerWaalsContact OE1-O 3.1Å; Q208-D277 HydrophobicContact CG-CB 4.29Å; Q208-D277 PolarHBondContact NE2-OD2 2.78Å
209	G	91.6	Very high	92.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.			trans	86.3	154.2	-169.9	0	0	0	0	0	112.7	E206 P207 E234 V269 N270	E206-G209 PolarHBondContact O-N 3.07Å; P207-G209 PolarHBondContact O-N 2.82Å; G209-E234 CarbonylContact C-O 3.45Å; G209-E234 WeakPolarHBondContact CA-O 3.41Å; G209-V269 CarbonylContact O-C 3.6Å; G209-V269 VanDerWaalsContact O-CA 3.25Å; G209-V269 WeakPolarHBondContact O-CA 3.41Å; G209-V269 WeakPolarHBondContact O-CB 3.29Å; G209-N270 PolarHBondContact O-N 2.87Å
210	L	95.4	Very high	91.9	Very high	17 Å²	17	30.1 Å²	30.1	9%	0.089	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.3	-177.9	-62.2	165.8	0	0	0	109.4	I204 E206 V213 V232 E234 A237 Y267	I204-L210 HydrophobicContact CG2-CD2 3.93Å; E206-L210 HydrophobicContact CB-CD2 3.98Å; E206-L210 HydrophobicContact CG-CD2 3.76Å; L210-V213 HydrophobicContact CB-CG2 4.24Å; L210-V213 HydrophobicContact CD1-CG2 3.96Å; L210-V213 HydrophobicContact CD2-CG2 4.33Å; L210-V213 HydrophobicContact CG-CG2 4.41Å; L210-V232 HydrophobicContact CD1-CG1 4.31Å; L210-E234 PolarHBondContact N-O 2.94Å; L210-A237 HydrophobicContact CD1-CB 3.69Å; L210-Y267 HydrophobicContact CD2-CD2 3.74Å; L210-Y267 HydrophobicContact CD2-CE2 4.21Å
211	S	95.3	Very high	91.1	Very high	56 Å²	56	32 Å²	32	39%	0.392	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-40.2	175.7	66.4	0	0	0	0	111.5	D268 V269 N270	S211-D268 PolarHBondContact N-O 2.87Å; S211-D268 VanDerWaalsContact OG-C 3.24Å; S211-D268 WeakPolarHBondContact OG-CB 3.36Å; S211-D268 PolarHBondContact OG-O 2.89Å; S211-D268 VanDerWaalsContact OG-O 3.11Å; S211-V269 PolarHBondContact OG-O 3.47Å; S211-N270 WeakPolarHBondContact CA-OD1 3.48Å; S211-N270 WeakPolarHBondContact CB-OD1 3.36Å
212	H	95.6	Very high	90.1	Very high	78 Å²	78	38.5 Å²	38.5	36%	0.361	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156	172.6	68.8	-75.2	0	0	0	110.4	Y267 D268	H212-Y267 VanDerWaalsContact O-CA 3.23Å; H212-Y267 WeakPolarHBondContact O-CA 3.18Å; H212-Y267 VanDerWaalsContact O-CB 3.26Å; H212-Y267 WeakPolarHBondContact O-CB 3.4Å; H212-D268 WeakPolarHBondContact CE1-CB 2.9Å; H212-D268 PolarHBondContact CE1-N 2.89Å; H212-D268 PolarHBondContact O-N 2.78Å
213	V	96.8	Very high	89	Confident	13 Å²	13	46 Å²	46	8%	0.079	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.9	171.9	-176.9	0	0	0	0	108.1	L210 K230 V232 A237 I239 I265 K266	L210-V213 HydrophobicContact CB-CG2 4.24Å; L210-V213 HydrophobicContact CD1-CG2 3.96Å; L210-V213 HydrophobicContact CD2-CG2 4.33Å; L210-V213 HydrophobicContact CG-CG2 4.41Å; V213-K230 HydrophobicContact CG1-CD 4.27Å; V213-K230 PolarHBondContact O-NZ 2.91Å; V213-V232 HydrophobicContact CB-CG2 4.1Å; V213-V232 HydrophobicContact CG2-CG1 4.23Å; V213-V232 HydrophobicContact CG2-CG2 4.36Å; V213-A237 HydrophobicContact CG1-CB 4.31Å; V213-A237 HydrophobicContact CG2-CB 3.99Å; V213-I239 HydrophobicContact CG1-CD1 4.07Å; V213-I239 HydrophobicContact CG1-CG1 4.43Å; V213-I265 HydrophobicContact CG1-CG2 4.29Å; V213-K266 CarbonylContact C-O 3.59Å; V213-K266 WeakPolarHBondContact CA-O 3.49Å
214	D	94.9	Very high	88.3	Confident	78 Å²	78	43 Å²	43	42%	0.417	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.1	175	-169.6	41.8	0	0	0	111	H216 I265 K266	D214-H216 IonicContact OD2-ND1 3.64Å; D214-I265 CarbonylContact O-C 3.53Å; D214-I265 WeakPolarHBondContact O-CA 3.11Å; D214-K266 PolarHBondContact N-O 2.8Å; D214-K266 PolarHBondContact O-N 2.77Å
215	A	93.3	Very high	87.7	Confident	16 Å²	16	47 Å²	47	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	126.2	179.7	0	0	0	0	0	109.2	V228 I239 I264 I265	A215-V228 HydrophobicContact CB-CG1 4.09Å; A215-I239 HydrophobicContact CB-CG2 3.9Å; A215-I264 WeakPolarHBondContact CA-O 3.42Å; A215-I265 HydrophobicContact CB-CG1 4.29Å
216	H	90.6	Very high	87.6	Confident	65 Å²	65	51.1 Å²	51.1	30%	0.301	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161	175.8	62.5	-79.9	0	0	0	109.7	D214 I264	D214-H216 IonicContact OD2-ND1 3.64Å; H216-I264 VanDerWaalsContact CE1-CG2 3.47Å; H216-I264 WeakPolarHBondContact CE1-CG2 3.38Å; H216-I264 PolarHBondContact N-O 3.04Å; H216-I264 WeakPolarHBondContact NE2-CD1 3.24Å; H216-I264 PolarHBondContact O-N 2.83Å; H216-I264 VanDerWaalsContact O-O 3.12Å
217	A	88.8	Confident	87.5	Confident	10 Å²	10	52.9 Å²	52.9	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.2	171	0	0	0	0	0	110.7	F219 L220 D262 F263	A217-F219 HydrophobicContact CB-CD1 4.09Å; A217-F219 HydrophobicContact CB-CD2 4.27Å; A217-F219 HydrophobicContact CB-CE1 3.71Å; A217-F219 HydrophobicContact CB-CE2 3.89Å; A217-F219 HydrophobicContact CB-CG 4.36Å; A217-F219 HydrophobicContact CB-CZ 3.6Å; A217-F219 PolarHBondContact O-N 2.86Å; A217-L220 HydrophobicContact CB-CD1 3.83Å; A217-L220 HydrophobicContact CB-CD2 4.19Å; A217-L220 HydrophobicContact CB-CG 3.51Å; A217-L220 WeakPolarHBondContact O-CB 2.99Å; A217-L220 PolarHBondContact O-N 2.77Å; A217-L220 VanDerWaalsContact O-N 3.09Å; A217-D262 CarbonylContact C-O 3.54Å; A217-D262 WeakPolarHBondContact CA-O 3.05Å; A217-D262 VanDerWaalsContact CB-O 3.24Å; A217-D262 WeakPolarHBondContact CB-O 3.13Å; A217-F263 HydrophobicContact CB-CB 4.32Å; A217-F263 HydrophobicContact CB-CD2 3.73Å; A217-F263 HydrophobicContact CB-CG 4.38Å
218	T	88.8	Confident	87.9	Confident	94 Å²	94	53.6 Å²	53.6	58%	0.577	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20	-177.7	59.6	0	0	0	0	112.8	G261 D262 I264	T218-G261 WeakPolarHBondContact OG1-CA 3.32Å; T218-D262 HydrophobicContact CG2-CB 3.98Å; T218-D262 PolarHBondContact N-O 2.89Å; T218-D262 PolarHBondContact OG1-N 2.99Å; T218-I264 HydrophobicContact CG2-CD1 4.47Å
219	F	85.9	Confident	88.2	Confident	19 Å²	19	57.3 Å²	57.3	8%	0.083	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.9	178.3	55.7	-97.1	0	0	0	113.6	V189 A217 S221 F241 L258 I259 F263	V189-F219 HydrophobicContact CG2-CE1 3.53Å; V189-F219 HydrophobicContact CG2-CZ 3.62Å; A217-F219 HydrophobicContact CB-CD1 4.09Å; A217-F219 HydrophobicContact CB-CD2 4.27Å; A217-F219 HydrophobicContact CB-CE1 3.71Å; A217-F219 HydrophobicContact CB-CE2 3.89Å; A217-F219 HydrophobicContact CB-CG 4.36Å; A217-F219 HydrophobicContact CB-CZ 3.6Å; A217-F219 PolarHBondContact O-N 2.86Å; F219-S221 PolarHBondContact O-N 3.38Å; F219-F241 AromaticContact CE2-CE1 3.97Å; F219-F241 HydrophobicContact CE2-CE1 3.97Å; F219-F241 HydrophobicContact CE2-CZ 4.09Å; F219-F241 HydrophobicContact CZ-CE1 4.47Å; F219-L258 VanDerWaalsContact CB-O 3.31Å; F219-L258 WeakPolarHBondContact CB-O 3.48Å; F219-I259 HydrophobicContact CE1-CG2 4.44Å; F219-I259 HydrophobicContact CE2-CG1 4.37Å; F219-I259 HydrophobicContact CE2-CG2 4.13Å; F219-I259 HydrophobicContact CZ-CG2 4.07Å; F219-F263 HydrophobicContact CZ-CD2 4.45Å
220	L	81.5	Confident	88.3	Confident	28 Å²	28	61.9 Å²	61.9	15%	0.147	33%	0.332	C	S	.	.			trans	-69.5	109	177.7	-66.7	176.6	0	0	0	110.1	A217 L224 L225 V228 F241	A217-L220 HydrophobicContact CB-CD1 3.83Å; A217-L220 HydrophobicContact CB-CD2 4.19Å; A217-L220 HydrophobicContact CB-CG 3.51Å; A217-L220 WeakPolarHBondContact O-CB 2.99Å; A217-L220 PolarHBondContact O-N 2.77Å; A217-L220 VanDerWaalsContact O-N 3.09Å; L220-L224 HydrophobicContact CD2-CB 3.77Å; L220-L225 HydrophobicContact CB-CD2 3.76Å; L220-L225 HydrophobicContact CB-CG 4.17Å; L220-L225 HydrophobicContact CD1-CD2 3.79Å; L220-L225 HydrophobicContact CG-CD2 4.35Å; L220-V228 HydrophobicContact CD1-CG2 3.82Å; L220-V228 HydrophobicContact CD2-CG2 4.15Å; L220-F241 HydrophobicContact CD2-CE2 3.98Å; L220-F241 HydrophobicContact CD2-CZ 4.32Å
221	S	78.6	Confident	88.3	Confident	40 Å²	40	65.1 Å²	65.1	28%	0.28	35%	0.352	S	S	.	.			trans	-79.1	167	163.8	70.2	0	0	0	0	110.1	F219 E223 L224 L225	F219-S221 PolarHBondContact O-N 3.38Å; S221-E223 PolarHBondContact O-N 3.06Å; S221-E223 PolarHBondContact OG-N 3.34Å; S221-L224 PolarHBondContact O-N 2.87Å; S221-L224 PolarHBondContact OG-N 3.47Å; S221-L225 WeakPolarHBondContact O-CG 3.44Å; S221-L225 PolarHBondContact O-N 2.86Å
222	N	75.9	Confident	88.3	Confident	146 Å²	146	65.7 Å²	65.7	78%	0.781	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	173.1	-71.2	-15.7	0	0	0	113.5
223	E	73.5	Confident	88.1	Confident	158 Å²	158	67.2 Å²	67.2	74%	0.738	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-28.9	179.3	-60.5	178.3	176.5	0	0	112.8	S221 P226	S221-E223 PolarHBondContact O-N 3.06Å; S221-E223 PolarHBondContact OG-N 3.34Å; E223-P226 WeakPolarHBondContact O-CD 3.39Å
224	L	81.8	Confident	87.8	Confident	1 Å²	1	73.8 Å²	73.8	1%	0.005	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-24.3	-179.6	-67.2	178.5	0	0	0	113.3	L220 S221 P226 L227 Q247 L258	L220-L224 HydrophobicContact CD2-CB 3.77Å; S221-L224 PolarHBondContact O-N 2.87Å; S221-L224 PolarHBondContact OG-N 3.47Å; L224-P226 VanDerWaalsContact C-N 3.32Å; L224-L227 HydrophobicContact CD2-CD1 3.69Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 2.9Å; L224-Q247 HydrophobicContact CD2-CB 4.15Å; L224-Q247 WeakPolarHBondContact CD2-O 3.47Å; L224-L258 HydrophobicContact CD1-CB 4.13Å; L224-L258 HydrophobicContact CD1-CD1 4.23Å
225	L	82.2	Confident	87.6	Confident	88 Å²	88	73.1 Å²	73.1	46%	0.461	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-49.8	-43.2	178.1	-75.9	172.8	0	0	0	113.8	L220 S221 L227 V228	L220-L225 HydrophobicContact CB-CD2 3.76Å; L220-L225 HydrophobicContact CB-CG 4.17Å; L220-L225 HydrophobicContact CD1-CD2 3.79Å; L220-L225 HydrophobicContact CG-CD2 4.35Å; S221-L225 WeakPolarHBondContact O-CG 3.44Å; S221-L225 PolarHBondContact O-N 2.86Å; L225-L227 PolarHBondContact O-N 3.16Å; L225-V228 PolarHBondContact O-N 2.88Å
226	P	86.6	Confident	87.6	Confident	100 Å²	100	76.3 Å²	76.3	65%	0.649	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-68.3	-11.8	-179.4	-19.8	34.1	0	0	0	114.8	E223 L224	E223-P226 WeakPolarHBondContact O-CD 3.39Å; L224-P226 VanDerWaalsContact C-N 3.32Å
227	L	89.1	Confident	87.8	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-86.9	-8.1	-178.2	-54.1	178.5	0	0	0	113.2	L224 L225 E229 F241 P243 Q247	L224-L227 HydrophobicContact CD2-CD1 3.69Å; L224-L227 WeakPolarHBondContact O-CB 3.47Å; L224-L227 PolarHBondContact O-N 2.9Å; L225-L227 PolarHBondContact O-N 3.16Å; L227-E229 PolarHBondContact O-N 3.29Å; L227-F241 HydrophobicContact CB-CD2 4.03Å; L227-F241 HydrophobicContact CB-CE2 3.97Å; L227-P243 HydrophobicContact CD1-CB 3.9Å; L227-Q247 HydrophobicContact CD1-CB 4.07Å; L227-Q247 HydrophobicContact CD1-CG 4.12Å
228	V	92.1	Very high	88.2	Confident	29 Å²	29	76 Å²	76	18%	0.176	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	98.2	172.1	-176.5	0	0	0	0	107.6	A215 L220 L225 I239 S240 F241 F263	A215-V228 HydrophobicContact CB-CG1 4.09Å; L220-V228 HydrophobicContact CD1-CG2 3.82Å; L220-V228 HydrophobicContact CD2-CG2 4.15Å; L225-V228 PolarHBondContact O-N 2.88Å; V228-I239 HydrophobicContact CG1-CG2 4.17Å; V228-S240 WeakPolarHBondContact CA-O 3.44Å; V228-F241 HydrophobicContact CG2-CD2 3.93Å; V228-F263 HydrophobicContact CG1-CZ 4.27Å; V228-F263 HydrophobicContact CG2-CE2 4.22Å
229	E	93.7	Very high	88.6	Confident	130 Å²	130	71.6 Å²	71.6	61%	0.607	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	132	174.1	-60.9	-175	171.3	0	0	109.2	L227 I239 S240	L227-E229 PolarHBondContact O-N 3.29Å; E229-I239 CarbonylContact O-C 3.47Å; E229-I239 WeakPolarHBondContact O-CA 3.47Å; E229-S240 PolarHBondContact N-O 3.37Å; E229-S240 PolarHBondContact O-N 3.12Å
230	K	94.3	Very high	89.1	Confident	96 Å²	96	71.2 Å²	71.2	42%	0.417	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.5	-179.1	-178.5	175.4	69.2	-178.8	0	109.8	V213 V232 H238 I239	V213-K230 HydrophobicContact CG1-CD 4.27Å; V213-K230 PolarHBondContact O-NZ 2.91Å; K230-V232 HydrophobicContact CD-CG2 4Å; K230-V232 HydrophobicContact CG-CG2 3.76Å; K230-H238 WeakPolarHBondContact CA-O 3.49Å; K230-I239 HydrophobicContact CG-CG1 4.34Å
231	T	95	Very high	89.8	Confident	84 Å²	84	69.9 Å²	69.9	52%	0.515	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.2	171.4	-58.2	0	0	0	0	108.5	A237 H238	T231-A237 CarbonylContact O-C 3.58Å; T231-A237 VanDerWaalsContact O-CA 3.28Å; T231-A237 WeakPolarHBondContact O-CA 3.48Å; T231-H238 PolarHBondContact N-O 2.9Å; T231-H238 PolarHBondContact O-N 2.82Å
232	V	94.6	Very high	90.6	Very high	69 Å²	69	70.7 Å²	70.7	42%	0.418	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	178.1	-171.8	0	0	0	0	108.8	L210 V213 K230 A237	L210-V232 HydrophobicContact CD1-CG1 4.31Å; V213-V232 HydrophobicContact CB-CG2 4.1Å; V213-V232 HydrophobicContact CG2-CG1 4.23Å; V213-V232 HydrophobicContact CG2-CG2 4.36Å; K230-V232 HydrophobicContact CD-CG2 4Å; K230-V232 HydrophobicContact CG-CG2 3.76Å; V232-A237 HydrophobicContact CG2-CB 4.3Å
233	L	92.1	Very high	91.5	Very high	110 Å²	110	63.9 Å²	63.9	58%	0.576	33%	0.331	S	S	*	.			trans	-106.1	174.4	167.5	-58.2	176.4	0	0	0	108.4	K235 K236	L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 2.58Å; L233-K236 CarbonylContact C-O 3.52Å; L233-K236 WeakPolarHBondContact CA-O 3.31Å; L233-K236 HydrophobicContact CB-CB 4.28Å; L233-K236 HydrophobicContact CD1-CB 4.41Å; L233-K236 PolarHBondContact N-O 3.06Å; L233-K236 VanDerWaalsContact O-O 3.13Å
234	E	90.7	Very high	92.4	Very high	150 Å²	150	60.1 Å²	60.1	70%	0.701	32%	0.318	S	S	*	.	S	Bend	trans	-52.9	-44.6	-176.3	-172.1	-178.5	169.1	0	0	113.1	G209 L210	G209-E234 CarbonylContact C-O 3.45Å; G209-E234 WeakPolarHBondContact CA-O 3.41Å; L210-E234 PolarHBondContact N-O 2.94Å
235	K	90.3	Very high	92.9	Very high	65 Å²	65	62.1 Å²	62.1	28%	0.283	33%	0.33	S	S	.	.	S	Bend	trans	-116.5	-7.8	-176.7	-58.5	-172.7	-179.4	-157.3	0	114.5	Y205 E206 P207 L233	Y205-K235 WeakPolarHBondContact CA-O 3.32Å; Y205-K235 HydrophobicContact CD2-CB 4.34Å; Y205-K235 VanDerWaalsContact CD2-O 3.26Å; Y205-K235 WeakPolarHBondContact CD2-O 2.99Å; Y205-K235 HydrophobicContact CE2-CB 3.73Å; E206-K235 PolarHBondContact N-O 3.04Å; E206-K235 WeakPolarHBondContact O-CB 3.38Å; P207-K235 WeakPolarHBondContact O-CD 3.48Å; P207-K235 VanDerWaalsContact O-CE 3.23Å; P207-K235 WeakPolarHBondContact O-CE 3.49Å; P207-K235 PolarHBondContact O-NZ 3.32Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 2.58Å
236	K	93.3	Very high	93.2	Very high	82 Å²	82	63.8 Å²	63.8	36%	0.357	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.6	-172.4	-73.9	179.8	-174.2	-169.8	0	110	I204 Y205 L233 E562	I204-K236 CarbonylContact O-C 3.58Å; I204-K236 VanDerWaalsContact O-CA 3.25Å; I204-K236 WeakPolarHBondContact O-CA 3.37Å; Y205-K236 HydrophobicContact CD2-CD 4.28Å; Y205-K236 HydrophobicContact CD2-CG 3.48Å; Y205-K236 VanDerWaalsContact CD2-CG 3.48Å; Y205-K236 HydrophobicContact CE2-CG 4.06Å; L233-K236 CarbonylContact C-O 3.52Å; L233-K236 WeakPolarHBondContact CA-O 3.31Å; L233-K236 HydrophobicContact CB-CB 4.28Å; L233-K236 HydrophobicContact CD1-CB 4.41Å; L233-K236 PolarHBondContact N-O 3.06Å; L233-K236 VanDerWaalsContact O-O 3.13Å; K236-E562 IonicContact NZ-OE1 2.63Å; K236-E562 PolarHBondContact NZ-OE1 3.36Å
237	A	95.8	Very high	93.4	Very high	4 Å²	4	62.6 Å²	62.6	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.1	163.9	0	0	0	0	0	110.5	N203 I204 L210 V213 T231 V232 I239	N203-A237 CarbonylContact C-O 3.59Å; N203-A237 WeakPolarHBondContact CA-O 3.32Å; I204-A237 HydrophobicContact CB-CB 4.27Å; I204-A237 PolarHBondContact N-O 3.23Å; I204-A237 PolarHBondContact O-N 3.25Å; L210-A237 HydrophobicContact CD1-CB 3.69Å; V213-A237 HydrophobicContact CG1-CB 4.31Å; V213-A237 HydrophobicContact CG2-CB 3.99Å; T231-A237 CarbonylContact O-C 3.58Å; T231-A237 VanDerWaalsContact O-CA 3.28Å; T231-A237 WeakPolarHBondContact O-CA 3.48Å; V232-A237 HydrophobicContact CG2-CB 4.3Å; A237-I239 HydrophobicContact CB-CD1 4.08Å
238	H	96.9	Very high	93.5	Very high	65 Å²	65	60.8 Å²	60.8	30%	0.301	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	169.8	-178	70.5	0	0	0	108.4	S201 T202 N203 K230 T231	S201-H238 PolarHBondContact OG-CE1 2.78Å; T202-H238 CarbonylContact O-C 3.46Å; T202-H238 WeakPolarHBondContact O-CA 3.5Å; N203-H238 PolarHBondContact OD1-ND1 2.57Å; K230-H238 WeakPolarHBondContact CA-O 3.49Å; T231-H238 PolarHBondContact N-O 2.9Å; T231-H238 PolarHBondContact O-N 2.82Å
239	I	97.3	Very high	93.4	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.9	175.2	-55.8	84.9	0	0	0	106.8	S201 T202 I204 V213 A215 V228 E229 K230 A237 F263 I265	S201-I239 CarbonylContact C-O 3.58Å; S201-I239 WeakPolarHBondContact CA-O 3.32Å; T202-I239 PolarHBondContact N-O 2.75Å; T202-I239 PolarHBondContact O-N 3.15Å; I204-I239 HydrophobicContact CD1-CD1 4.01Å; I204-I239 HydrophobicContact CG1-CD1 4.4Å; V213-I239 HydrophobicContact CG1-CD1 4.07Å; V213-I239 HydrophobicContact CG1-CG1 4.43Å; A215-I239 HydrophobicContact CB-CG2 3.9Å; V228-I239 HydrophobicContact CG1-CG2 4.17Å; E229-I239 CarbonylContact O-C 3.47Å; E229-I239 WeakPolarHBondContact O-CA 3.47Å; K230-I239 HydrophobicContact CG-CG1 4.34Å; A237-I239 HydrophobicContact CB-CD1 4.08Å; I239-F263 HydrophobicContact CG2-CE1 4.11Å; I239-F263 HydrophobicContact CG2-CZ 3.99Å; I239-I265 HydrophobicContact CB-CD1 4.33Å; I239-I265 HydrophobicContact CD1-CD1 4.5Å; I239-I265 HydrophobicContact CD1-CG2 4.26Å; I239-I265 HydrophobicContact CG1-CD1 4.49Å; I239-I265 HydrophobicContact CG2-CD1 4.42Å
240	S	96.1	Very high	93	Very high	11 Å²	11	63.1 Å²	63.1	8%	0.077	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.6	175	71.8	0	0	0	0	111.8	I200 V228 E229	I200-S240 CarbonylContact O-C 3.23Å; I200-S240 VanDerWaalsContact O-CA 3.27Å; I200-S240 WeakPolarHBondContact O-CA 3.45Å; V228-S240 WeakPolarHBondContact CA-O 3.44Å; E229-S240 PolarHBondContact N-O 3.37Å; E229-S240 PolarHBondContact O-N 3.12Å
241	F	96.1	Very high	92.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	109.4	175.5	173.9	-107.1	0	0	0	108.9	F198 Q199 I200 F219 L220 L227 V228 P243 I259 F263	F198-F241 HydrophobicContact CD1-CD1 4.29Å; F198-F241 HydrophobicContact CD1-CE1 4.23Å; F198-F241 AromaticContact CE1-CD1 3.85Å; F198-F241 HydrophobicContact CE1-CD1 3.85Å; F198-F241 AromaticContact CE1-CE1 3.85Å; F198-F241 HydrophobicContact CE1-CE1 3.85Å; Q199-F241 WeakPolarHBondContact CA-O 3.44Å; I200-F241 HydrophobicContact CB-CB 4.43Å; I200-F241 HydrophobicContact CD1-CD1 4.22Å; I200-F241 PolarHBondContact N-O 3.32Å; I200-F241 PolarHBondContact O-N 2.79Å; F219-F241 AromaticContact CE2-CE1 3.97Å; F219-F241 HydrophobicContact CE2-CE1 3.97Å; F219-F241 HydrophobicContact CE2-CZ 4.09Å; F219-F241 HydrophobicContact CZ-CE1 4.47Å; L220-F241 HydrophobicContact CD2-CE2 3.98Å; L220-F241 HydrophobicContact CD2-CZ 4.32Å; L227-F241 HydrophobicContact CB-CD2 4.03Å; L227-F241 HydrophobicContact CB-CE2 3.97Å; V228-F241 HydrophobicContact CG2-CD2 3.93Å; F241-P243 HydrophobicContact CD1-CG 4.33Å; F241-P243 HydrophobicContact CE1-CG 3.62Å; F241-P243 HydrophobicContact CE2-CB 4.44Å; F241-P243 HydrophobicContact CE2-CG 4.26Å; F241-P243 HydrophobicContact CZ-CB 4.09Å; F241-P243 HydrophobicContact CZ-CG 3.58Å; F241-I259 HydrophobicContact CE1-CD1 4.21Å; F241-F263 HydrophobicContact CB-CE2 3.79Å; F241-F263 HydrophobicContact CB-CZ 4.09Å; F241-F263 HydrophobicContact CD1-CE2 4.37Å; F241-F263 HydrophobicContact CG-CE2 4.03Å
242	S	95.3	Very high	91.8	Very high	58 Å²	58	63.8 Å²	63.8	41%	0.406	33%	0.333	S	S	.	.			trans	-135.4	71	-172.7	-57.4	0	0	0	0	111.9	F198 Q199	F198-S242 WeakPolarHBondContact O-CA 3.49Å; Q199-S242 WeakPolarHBondContact CG-OG 3.34Å
243	P	94.7	Very high	91	Very high	3 Å²	3	64 Å²	64	2%	0.019	35%	0.349	C	S	.	.			trans	-72.1	138.5	-178.8	31.7	-35.4	0	0	0	112.2	F198 L227 F241 Q247 Q248 I259	F198-P243 HydrophobicContact CB-CG 4.41Å; F198-P243 HydrophobicContact CD1-CG 3.99Å; F198-P243 HydrophobicContact CG-CG 4.47Å; L227-P243 HydrophobicContact CD1-CB 3.9Å; F241-P243 HydrophobicContact CD1-CG 4.33Å; F241-P243 HydrophobicContact CE1-CG 3.62Å; F241-P243 HydrophobicContact CE2-CB 4.44Å; F241-P243 HydrophobicContact CE2-CG 4.26Å; F241-P243 HydrophobicContact CZ-CB 4.09Å; F241-P243 HydrophobicContact CZ-CG 3.58Å; P243-Q247 HydrophobicContact CB-CB 4.14Å; P243-Q248 HydrophobicContact CB-CG 4.11Å; P243-Q248 HydrophobicContact CG-CG 3.99Å; P243-Q248 PolarHBondContact O-NE2 3.23Å; P243-I259 HydrophobicContact CG-CD1 3.71Å
244	T	93	Very high	90.6	Very high	78 Å²	78	60.3 Å²	60.3	48%	0.479	33%	0.332	S	S	.	.			trans	-67.2	159.9	170	63.1	0	0	0	0	111.7	E246 Q247 Q248	T244-E246 PolarHBondContact O-N 3.09Å; T244-E246 VanDerWaalsContact O-N 3.16Å; T244-Q247 WeakPolarHBondContact O-CB 3.39Å; T244-Q247 PolarHBondContact O-N 3.31Å; T244-Q247 VanDerWaalsContact OG1-CD 3.25Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.44Å; T244-Q247 PolarHBondContact OG1-N 3.17Å; T244-Q247 PolarHBondContact OG1-OE1 3.43Å; T244-Q248 WeakPolarHBondContact O-CG 3.5Å; T244-Q248 PolarHBondContact O-N 2.89Å
245	V	91.6	Very high	90	Very high	43 Å²	43	59.4 Å²	59.4	26%	0.261	33%	0.332	S	S	.	.	H	α-helix	trans	-49.9	-42.7	176.7	175.9	0	0	0	0	112.5	L194 V195 Q248 R249	L194-V245 HydrophobicContact CB-CG1 4.24Å; L194-V245 HydrophobicContact CD1-CG1 4.2Å; V195-V245 WeakPolarHBondContact O-CG2 3.23Å; V245-Q248 WeakPolarHBondContact O-CB 3.27Å; V245-Q248 PolarHBondContact O-N 3.21Å; V245-R249 PolarHBondContact O-N 3.36Å
246	E	89.9	Confident	89.7	Confident	124 Å²	124	57.7 Å²	57.7	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-69.4	-34.6	-179.6	-66.6	-55.2	127.9	0	0	112.7	T244 Q248 R249	T244-E246 PolarHBondContact O-N 3.09Å; T244-E246 VanDerWaalsContact O-N 3.16Å; E246-Q248 VanDerWaalsContact C-N 3.29Å; E246-R249 VanDerWaalsContact CD-NE 3.3Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-CZ 2.87Å; E246-R249 IonicContact OE1-NE 2.71Å; E246-R249 PolarHBondContact OE1-NE 3.15Å; E246-R249 IonicContact OE1-NH2 2.63Å; E246-R249 PolarHBondContact OE1-NH2 2.77Å; E246-R249 WeakPolarHBondContact OE2-CD 3.42Å; E246-R249 IonicContact OE2-NE 3.76Å; E246-R249 PolarHBondContact OE2-NE 2.99Å; E246-R249 VanDerWaalsContact OE2-NE 3.12Å
247	Q	90.3	Very high	89.4	Confident	74 Å²	74	54.6 Å²	54.6	35%	0.346	32%	0.321	S	S	.	.	H	α-helix	trans	-70.6	-28.1	174.3	-71.6	162.4	-33	0	0	112	L224 L227 P243 T244 R249	L224-Q247 HydrophobicContact CD2-CB 4.15Å; L224-Q247 WeakPolarHBondContact CD2-O 3.47Å; L227-Q247 HydrophobicContact CD1-CB 4.07Å; L227-Q247 HydrophobicContact CD1-CG 4.12Å; P243-Q247 HydrophobicContact CB-CB 4.14Å; T244-Q247 WeakPolarHBondContact O-CB 3.39Å; T244-Q247 PolarHBondContact O-N 3.31Å; T244-Q247 VanDerWaalsContact OG1-CD 3.25Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.44Å; T244-Q247 PolarHBondContact OG1-N 3.17Å; T244-Q247 PolarHBondContact OG1-OE1 3.43Å; Q247-R249 VanDerWaalsContact C-N 3.29Å; Q247-R249 PolarHBondContact O-N 2.8Å
248	Q	90.5	Very high	89.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-71.1	-23.9	174.9	-64.3	173.7	39.9	0	0	112.4	L194 V195 P243 T244 V245 E246 K250 T257 L258 I259	L194-Q248 HydrophobicContact CD2-CB 3.79Å; V195-Q248 PolarHBondContact O-NE2 3.44Å; V195-Q248 PolarHBondContact O-OE1 3.09Å; P243-Q248 HydrophobicContact CB-CG 4.11Å; P243-Q248 HydrophobicContact CG-CG 3.99Å; P243-Q248 PolarHBondContact O-NE2 3.23Å; T244-Q248 WeakPolarHBondContact O-CG 3.5Å; T244-Q248 PolarHBondContact O-N 2.89Å; V245-Q248 WeakPolarHBondContact O-CB 3.27Å; V245-Q248 PolarHBondContact O-N 3.21Å; E246-Q248 VanDerWaalsContact C-N 3.29Å; Q248-K250 PolarHBondContact O-N 3.05Å; Q248-T257 CarbonylContact O-C 3.57Å; Q248-T257 VanDerWaalsContact O-CA 3.28Å; Q248-T257 WeakPolarHBondContact O-CA 3.4Å; Q248-L258 PolarHBondContact O-N 3.17Å; Q248-I259 HydrophobicContact CG-CD1 3.75Å; Q248-I259 HydrophobicContact CG-CG1 4.38Å
249	R	89.8	Confident	88.8	Confident	62 Å²	62	53.5 Å²	53.5	23%	0.234	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-65.4	134.3	-173.3	-71.8	-172.2	-162.5	-85.5	-5.3	112.8	L194 V245 E246 Q247 C254 L258	L194-R249 HydrophobicContact CD1-CG 3.81Å; L194-R249 HydrophobicContact CD2-CB 4.43Å; L194-R249 HydrophobicContact CD2-CG 3.77Å; L194-R249 HydrophobicContact CG-CG 4.47Å; V245-R249 PolarHBondContact O-N 3.36Å; E246-R249 VanDerWaalsContact CD-NE 3.3Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-CZ 2.87Å; E246-R249 IonicContact OE1-NE 2.71Å; E246-R249 PolarHBondContact OE1-NE 3.15Å; E246-R249 IonicContact OE1-NH2 2.63Å; E246-R249 PolarHBondContact OE1-NH2 2.77Å; E246-R249 WeakPolarHBondContact OE2-CD 3.42Å; E246-R249 IonicContact OE2-NE 3.76Å; E246-R249 PolarHBondContact OE2-NE 2.99Å; E246-R249 VanDerWaalsContact OE2-NE 3.12Å; Q247-R249 VanDerWaalsContact C-N 3.29Å; Q247-R249 PolarHBondContact O-N 2.8Å; R249-C254 PolarHBondContact NH1-O 3.09Å; R249-L258 WeakPolarHBondContact O-CD1 3.43Å
250	K	86.4	Confident	88.4	Confident	146 Å²	146	58.2 Å²	58.2	64%	0.635	34%	0.341	S	S	*	.	S	Bend	trans	-73.4	-28.3	175.3	-172.3	169.6	-175.7	173.1	0	114	Q248 G256 L258	Q248-K250 PolarHBondContact O-N 3.05Å; K250-G256 WeakPolarHBondContact CB-O 3.42Å; K250-G256 PolarHBondContact N-O 2.63Å; K250-L258 HydrophobicContact CB-CD2 4.05Å; K250-L258 HydrophobicContact CB-CG 4.22Å; K250-L258 HydrophobicContact CG-CD2 3.88Å
251	C	82.6	Confident	88.2	Confident	57 Å²	57	58 Å²	58	39%	0.385	34%	0.342	S	S	.	.	S	Bend	trans	-153.8	151.2	-179	26.2	0	0	0	0	110.9	G253 C254	C251-G253 PolarHBondContact O-N 3.16Å; C251-G253 VanDerWaalsContact O-N 3.15Å; C251-C254 WeakPolarHBondContact CA-SG 3.32Å; C251-C254 HydrophobicContact CB-CB 4.13Å; C251-C254 WeakPolarHBondContact CB-SG 3.39Å; C251-C254 PolarHBondContact N-SG 2.8Å; C251-C254 PolarHBondContact O-N 2.96Å; C251-C254 PolarHBondContact O-SG 2.86Å; C251-C254 WeakPolarHBondContact SG-CB 3.35Å; C251-C254 CovalentContact SG-SG 2.04Å; C251-C254 PolarHBondContact SG-SG 2.81Å
252	P	81.6	Confident	88	Confident	137 Å²	137	59.2 Å²	59.2	89%	0.89	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	119.9	173.2	-24.3	34.2	0	0	0	111.4
253	G	77.8	Confident	88	Confident	75 Å²	75	56.5 Å²	56.5	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	14	176.6	0	0	0	0	0	116	C251	C251-G253 PolarHBondContact O-N 3.16Å; C251-G253 VanDerWaalsContact O-N 3.15Å
254	C	82.1	Confident	88	Confident	31 Å²	31	57.2 Å²	57.2	21%	0.209	33%	0.332	C	S	.	.			trans	-106.9	159.4	171.6	75.4	0	0	0	0	112.2	R249 C251	R249-C254 PolarHBondContact NH1-O 3.09Å; C251-C254 WeakPolarHBondContact CA-SG 3.32Å; C251-C254 HydrophobicContact CB-CB 4.13Å; C251-C254 WeakPolarHBondContact CB-SG 3.39Å; C251-C254 PolarHBondContact N-SG 2.8Å; C251-C254 PolarHBondContact O-N 2.96Å; C251-C254 PolarHBondContact O-SG 2.86Å; C251-C254 WeakPolarHBondContact SG-CB 3.35Å; C251-C254 CovalentContact SG-SG 2.04Å; C251-C254 PolarHBondContact SG-SG 2.81Å
255	D	79.1	Confident	88.2	Confident	132 Å²	132	53.5 Å²	53.5	71%	0.706	31%	0.309	S	S	*	.			trans	-92.7	0.6	-176.3	-56.5	-39.6	0	0	0	113.2
256	G	83.6	Confident	88.4	Confident	29 Å²	29	53.7 Å²	53.7	30%	0.299	31%	0.307	S	S	.	.			trans	-80.1	139.8	179.4	0	0	0	0	0	112.8	K250	K250-G256 WeakPolarHBondContact CB-O 3.42Å; K250-G256 PolarHBondContact N-O 2.63Å
257	T	87.9	Confident	88.8	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.098	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-95	148.1	175	-176.1	0	0	0	0	112.3	P191 S193 Q248 I259	P191-T257 HydrophobicContact CG-CG2 4.31Å; S193-T257 WeakPolarHBondContact O-CG2 3.45Å; Q248-T257 CarbonylContact O-C 3.57Å; Q248-T257 VanDerWaalsContact O-CA 3.28Å; Q248-T257 WeakPolarHBondContact O-CA 3.4Å; T257-I259 PolarHBondContact OG1-N 2.74Å; T257-I259 VanDerWaalsContact OG1-N 3.15Å
258	L	88.8	Confident	89.1	Confident	47 Å²	47	44.7 Å²	44.7	25%	0.246	27%	0.265	C	S	.	.	S	Bend	trans	-79.9	-21.8	169.2	-71.3	170.1	0	0	0	112.1	F219 L224 Q248 R249 K250 D260	F219-L258 VanDerWaalsContact CB-O 3.31Å; F219-L258 WeakPolarHBondContact CB-O 3.48Å; L224-L258 HydrophobicContact CD1-CB 4.13Å; L224-L258 HydrophobicContact CD1-CD1 4.23Å; Q248-L258 PolarHBondContact O-N 3.17Å; R249-L258 WeakPolarHBondContact O-CD1 3.43Å; K250-L258 HydrophobicContact CB-CD2 4.05Å; K250-L258 HydrophobicContact CB-CG 4.22Å; K250-L258 HydrophobicContact CG-CD2 3.88Å; L258-D260 PolarHBondContact O-N 2.9Å
259	I	90.3	Very high	89.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.266	C	S	.	.			trans	-74.7	94	-178.8	-55.7	-178.1	0	0	0	108.7	V189 P191 F198 F219 F241 P243 Q248 T257	V189-I259 HydrophobicContact CB-CG2 4.15Å; V189-I259 HydrophobicContact CG2-CG2 3.7Å; P191-I259 WeakPolarHBondContact CD-O 3.2Å; P191-I259 HydrophobicContact CG-CB 4.08Å; P191-I259 HydrophobicContact CG-CG2 4.05Å; F198-I259 HydrophobicContact CD1-CD1 3.88Å; F198-I259 HydrophobicContact CD2-CD1 3.99Å; F198-I259 HydrophobicContact CE1-CD1 3.93Å; F198-I259 HydrophobicContact CE2-CD1 4.06Å; F198-I259 HydrophobicContact CE2-CG2 3.99Å; F198-I259 HydrophobicContact CG-CD1 3.89Å; F198-I259 HydrophobicContact CZ-CD1 4.02Å; F198-I259 HydrophobicContact CZ-CG2 3.8Å; F219-I259 HydrophobicContact CE1-CG2 4.44Å; F219-I259 HydrophobicContact CE2-CG1 4.37Å; F219-I259 HydrophobicContact CE2-CG2 4.13Å; F219-I259 HydrophobicContact CZ-CG2 4.07Å; F241-I259 HydrophobicContact CE1-CD1 4.21Å; P243-I259 HydrophobicContact CG-CD1 3.71Å; Q248-I259 HydrophobicContact CG-CD1 3.75Å; Q248-I259 HydrophobicContact CG-CG1 4.38Å; T257-I259 PolarHBondContact OG1-N 2.74Å; T257-I259 VanDerWaalsContact OG1-N 3.15Å
260	D	90	Very high	89.6	Confident	99 Å²	99	45.3 Å²	45.3	53%	0.529	27%	0.273	S	S	.	.			trans	-151.4	95.4	174	-175.1	1.7	0	0	0	109.5	K190 L258	K190-D260 VanDerWaalsContact CD-OD1 3.27Å; K190-D260 WeakPolarHBondContact CD-OD1 3.32Å; K190-D260 VanDerWaalsContact CE-OD1 3.27Å; K190-D260 WeakPolarHBondContact CE-OD1 3.07Å; K190-D260 VanDerWaalsContact CG-OD1 3.27Å; K190-D260 WeakPolarHBondContact CG-OD1 3.27Å; L258-D260 PolarHBondContact O-N 2.9Å
261	G	90.4	Very high	89.7	Confident	8 Å²	8	40.7 Å²	40.7	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	-146.7	175.3	0	0	0	0	0	114	V189 T218	V189-G261 PolarHBondContact N-O 2.02Å; V189-G261 PolarHBondContact O-N 3.26Å; T218-G261 WeakPolarHBondContact OG1-CA 3.32Å
262	D	92.4	Very high	89.8	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.2	-168	-63.7	-17.6	0	0	0	110.2	L186 R188 A217 T218 I264	L186-D262 HydrophobicContact CD1-CB 3.68Å; R188-D262 IonicContact CZ-OD1 3.22Å; R188-D262 VanDerWaalsContact CZ-OD1 3.23Å; R188-D262 IonicContact CZ-OD2 2.57Å; R188-D262 IonicContact NE-OD1 3.21Å; R188-D262 PolarHBondContact NE-OD1 3.4Å; R188-D262 IonicContact NE-OD2 3.91Å; R188-D262 VanDerWaalsContact NH2-CG 3.29Å; R188-D262 IonicContact NH2-OD1 2.77Å; R188-D262 PolarHBondContact NH2-OD1 3.48Å; R188-D262 IonicContact NH2-OD2 3.22Å; R188-D262 PolarHBondContact NH2-OD2 2.93Å; A217-D262 CarbonylContact C-O 3.54Å; A217-D262 WeakPolarHBondContact CA-O 3.05Å; A217-D262 VanDerWaalsContact CB-O 3.24Å; A217-D262 WeakPolarHBondContact CB-O 3.13Å; T218-D262 HydrophobicContact CG2-CB 3.98Å; T218-D262 PolarHBondContact N-O 2.89Å; T218-D262 PolarHBondContact OG1-N 2.99Å; D262-I264 HydrophobicContact CB-CD1 4.07Å; D262-I264 HydrophobicContact CB-CG1 3.98Å
263	F	94.6	Very high	89.7	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.4	165.2	-166.1	-87.5	0	0	0	108.1	I187 I200 A217 F219 V228 I239 F241 I265	I187-F263 HydrophobicContact CB-CB 4.33Å; I187-F263 PolarHBondContact N-O 2.8Å; I187-F263 PolarHBondContact O-N 3.04Å; I200-F263 HydrophobicContact CD1-CB 3.96Å; I200-F263 HydrophobicContact CD1-CD1 4.45Å; I200-F263 HydrophobicContact CD1-CD2 4.04Å; I200-F263 HydrophobicContact CD1-CG 3.9Å; I200-F263 HydrophobicContact CG2-CD1 4.15Å; I200-F263 HydrophobicContact CG2-CE1 4.23Å; A217-F263 HydrophobicContact CB-CB 4.32Å; A217-F263 HydrophobicContact CB-CD2 3.73Å; A217-F263 HydrophobicContact CB-CG 4.38Å; F219-F263 HydrophobicContact CZ-CD2 4.45Å; V228-F263 HydrophobicContact CG1-CZ 4.27Å; V228-F263 HydrophobicContact CG2-CE2 4.22Å; I239-F263 HydrophobicContact CG2-CE1 4.11Å; I239-F263 HydrophobicContact CG2-CZ 3.99Å; F241-F263 HydrophobicContact CB-CE2 3.79Å; F241-F263 HydrophobicContact CB-CZ 4.09Å; F241-F263 HydrophobicContact CD1-CE2 4.37Å; F241-F263 HydrophobicContact CG-CE2 4.03Å; F263-I265 HydrophobicContact CD1-CD1 4.3Å; F263-I265 HydrophobicContact CD1-CG1 4.05Å; F263-I265 HydrophobicContact CE1-CD1 3.89Å; F263-I265 HydrophobicContact CE1-CG1 3.74Å
264	I	95.1	Very high	90	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.087	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	-166.6	-57.8	167.8	0	0	0	108.2	E184 I185 L186 A215 H216 T218 D262 K266	E184-I264 HydrophobicContact CG-CG2 3.97Å; I185-I264 WeakPolarHBondContact O-CA 3.24Å; L186-I264 HydrophobicContact CD1-CD1 4.28Å; L186-I264 HydrophobicContact CD1-CG1 3.67Å; A215-I264 WeakPolarHBondContact CA-O 3.42Å; H216-I264 VanDerWaalsContact CE1-CG2 3.47Å; H216-I264 WeakPolarHBondContact CE1-CG2 3.38Å; H216-I264 PolarHBondContact N-O 3.04Å; H216-I264 WeakPolarHBondContact NE2-CD1 3.24Å; H216-I264 PolarHBondContact O-N 2.83Å; H216-I264 VanDerWaalsContact O-O 3.12Å; T218-I264 HydrophobicContact CG2-CD1 4.47Å; D262-I264 HydrophobicContact CB-CD1 4.07Å; D262-I264 HydrophobicContact CB-CG1 3.98Å; I264-K266 HydrophobicContact CG2-CG 4.05Å
265	I	96.9	Very high	90.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124	173.9	-53.2	167.9	0	0	0	107.7	I185 T202 I204 V213 D214 A215 I239 F263	I185-I265 HydrophobicContact CB-CB 4.21Å; I185-I265 HydrophobicContact CD1-CB 4.3Å; I185-I265 HydrophobicContact CD1-CG2 4.43Å; I185-I265 PolarHBondContact N-O 3.37Å; I185-I265 PolarHBondContact O-N 3.47Å; T202-I265 HydrophobicContact CG2-CD1 3.62Å; T202-I265 VanDerWaalsContact OG1-CD1 3.29Å; T202-I265 WeakPolarHBondContact OG1-CD1 3.16Å; I204-I265 HydrophobicContact CD1-CG2 4.01Å; V213-I265 HydrophobicContact CG1-CG2 4.29Å; D214-I265 CarbonylContact O-C 3.53Å; D214-I265 WeakPolarHBondContact O-CA 3.11Å; A215-I265 HydrophobicContact CB-CG1 4.29Å; I239-I265 HydrophobicContact CB-CD1 4.33Å; I239-I265 HydrophobicContact CD1-CD1 4.5Å; I239-I265 HydrophobicContact CD1-CG2 4.26Å; I239-I265 HydrophobicContact CG1-CD1 4.49Å; I239-I265 HydrophobicContact CG2-CD1 4.42Å; F263-I265 HydrophobicContact CD1-CD1 4.3Å; F263-I265 HydrophobicContact CD1-CG1 4.05Å; F263-I265 HydrophobicContact CE1-CD1 3.89Å; F263-I265 HydrophobicContact CE1-CG1 3.74Å
266	K	97.3	Very high	90.6	Very high	47 Å²	47	38.6 Å²	38.6	20%	0.204	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.5	177.8	-65	-175.2	171.3	-169.6	0	109.6	Y183 E184 V213 D214 I264	Y183-K266 VanDerWaalsContact O-CA 3.31Å; Y183-K266 WeakPolarHBondContact O-CA 3.49Å; E184-K266 WeakPolarHBondContact OE2-CE 3.43Å; E184-K266 IonicContact OE2-NZ 2.79Å; V213-K266 CarbonylContact C-O 3.59Å; V213-K266 WeakPolarHBondContact CA-O 3.49Å; D214-K266 PolarHBondContact N-O 2.8Å; D214-K266 PolarHBondContact O-N 2.77Å; I264-K266 HydrophobicContact CG2-CG 4.05Å
267	Y	97.8	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	164	176.5	79	-82	0	0	0	111.2	V70 L176 Y183 I185 I204 E206 L210 H212 V269	V70-Y267 WeakPolarHBondContact CG1-OH 3.32Å; L176-Y267 HydrophobicContact CD1-CE1 3.76Å; Y183-Y267 HydrophobicContact CD2-CD2 4.14Å; Y183-Y267 HydrophobicContact CD2-CE1 4.33Å; Y183-Y267 AromaticContact CD2-CE2 3.76Å; Y183-Y267 HydrophobicContact CD2-CE2 3.76Å; Y183-Y267 AromaticContact CD2-CZ 3.88Å; Y183-Y267 WeakPolarHBondContact CD2-O 3.41Å; Y183-Y267 HydrophobicContact CE2-CE2 4.37Å; Y183-Y267 HydrophobicContact CG-CE1 4.25Å; Y183-Y267 HydrophobicContact CG-CE2 4.43Å; Y183-Y267 PolarHBondContact N-O 2.79Å; Y183-Y267 PolarHBondContact O-N 2.81Å; Y183-Y267 VanDerWaalsContact O-N 3.11Å; I185-Y267 HydrophobicContact CD1-CE1 4.26Å; I204-Y267 HydrophobicContact CD1-CD1 3.93Å; I204-Y267 HydrophobicContact CD1-CE1 4.29Å; I204-Y267 HydrophobicContact CD1-CG 4.25Å; I204-Y267 HydrophobicContact CG2-CD2 4.32Å; I204-Y267 HydrophobicContact CG2-CE1 4.45Å; I204-Y267 HydrophobicContact CG2-CE2 4.04Å; E206-Y267 HydrophobicContact CG-CE2 3.81Å; E206-Y267 WeakPolarHBondContact OE1-CE2 3.46Å; E206-Y267 PolarHBondContact OE1-OH 2.6Å; L210-Y267 HydrophobicContact CD2-CD2 3.74Å; L210-Y267 HydrophobicContact CD2-CE2 4.21Å; H212-Y267 VanDerWaalsContact O-CA 3.23Å; H212-Y267 WeakPolarHBondContact O-CA 3.18Å; H212-Y267 VanDerWaalsContact O-CB 3.26Å; H212-Y267 WeakPolarHBondContact O-CB 3.4Å; Y267-V269 HydrophobicContact CE2-CG1 4.3Å
268	D	97.1	Very high	90.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	168.6	163.4	-164.5	17.9	0	0	0	109.2	R178 Y183 S211 H212 R271	R178-D268 IonicContact CZ-OD2 3.58Å; R178-D268 IonicContact NE-OD1 3.43Å; R178-D268 PolarHBondContact NE-OD1 2.6Å; R178-D268 IonicContact NE-OD2 3.5Å; R178-D268 PolarHBondContact NE-OD2 3.12Å; R178-D268 IonicContact NH2-OD2 3.72Å; R178-D268 PolarHBondContact NH2-OD2 2.94Å; Y183-D268 WeakPolarHBondContact CE2-OD1 2.92Å; S211-D268 PolarHBondContact N-O 2.87Å; S211-D268 VanDerWaalsContact OG-C 3.24Å; S211-D268 WeakPolarHBondContact OG-CB 3.36Å; S211-D268 PolarHBondContact OG-O 2.89Å; S211-D268 VanDerWaalsContact OG-O 3.11Å; H212-D268 WeakPolarHBondContact CE1-CB 2.9Å; H212-D268 PolarHBondContact CE1-N 2.89Å; H212-D268 PolarHBondContact O-N 2.78Å; D268-R271 IonicContact OD1-CZ 2.6Å; D268-R271 IonicContact OD1-NE 3.92Å; D268-R271 IonicContact OD1-NH2 3.43Å; D268-R271 PolarHBondContact OD1-NH2 2.89Å; D268-R271 IonicContact OD2-NE 3.08Å; D268-R271 IonicContact OD2-NH2 3.77Å
269	V	95.6	Very high	90.4	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	162.6	-179.2	-63.4	0	0	0	0	111.5	Y183 E206 Q208 G209 S211 Y267 R271	Y183-V269 HydrophobicContact CE2-CG1 4.47Å; Y183-V269 HydrophobicContact CE2-CG2 4.46Å; E206-V269 HydrophobicContact CB-CG1 3.8Å; E206-V269 HydrophobicContact CG-CG1 3.67Å; Q208-V269 HydrophobicContact CB-CB 4.32Å; G209-V269 CarbonylContact O-C 3.6Å; G209-V269 VanDerWaalsContact O-CA 3.25Å; G209-V269 WeakPolarHBondContact O-CA 3.41Å; G209-V269 WeakPolarHBondContact O-CB 3.29Å; S211-V269 PolarHBondContact OG-O 3.47Å; Y267-V269 HydrophobicContact CE2-CG1 4.3Å; V269-R271 HydrophobicContact CG2-CG 4.27Å
270	N	93.6	Very high	90.1	Very high	72 Å²	72	36.2 Å²	36.2	39%	0.385	19%	0.187	S	C	.	.			trans	-72.2	136.7	168.6	-61.8	-43.2	0	0	0	109.9	Q208 G209 S211	Q208-N270 PolarHBondContact OE1-O 2.97Å; Q208-N270 VanDerWaalsContact OE1-O 3.1Å; G209-N270 PolarHBondContact O-N 2.87Å; S211-N270 WeakPolarHBondContact CA-OD1 3.48Å; S211-N270 WeakPolarHBondContact CB-OD1 3.36Å
271	R	90.3	Very high	89.5	Confident	49 Å²	49	31.9 Å²	31.9	19%	0.185	16%	0.164	C	C	.	.			trans	-121.3	140.9	-176	-61.6	176.7	-175.8	-78.3	-11.5	109.7	Y183 D268 V269 P292 E516	Y183-R271 PolarHBondContact OH-NH2 3.41Å; D268-R271 IonicContact OD1-CZ 2.6Å; D268-R271 IonicContact OD1-NE 3.92Å; D268-R271 IonicContact OD1-NH2 3.43Å; D268-R271 PolarHBondContact OD1-NH2 2.89Å; D268-R271 IonicContact OD2-NE 3.08Å; D268-R271 IonicContact OD2-NH2 3.77Å; V269-R271 HydrophobicContact CG2-CG 4.27Å; R271-P292 HydrophobicContact CB-CB 4.41Å; R271-P292 HydrophobicContact CB-CG 4.35Å; R271-E516 IonicContact CZ-OE1 3.76Å; R271-E516 IonicContact NH1-OE1 3.84Å; R271-E516 PolarHBondContact NH1-OE1 2.8Å; R271-E516 IonicContact NH2-OE1 3.82Å; R271-E516 PolarHBondContact NH2-OE1 3.11Å
272	Q	82.8	Confident	88.9	Confident	162 Å²	162	35.7 Å²	35.7	76%	0.757	18%	0.183	S	C	*	.			trans	-119.7	147.1	176.1	-63.7	-173.8	-1.3	0	0	109.4	S274	Q272-S274 PolarHBondContact O-N 2.97Å; Q272-S274 PolarHBondContact O-OG 3.23Å
273	E	80.5	Confident	88.4	Confident	155 Å²	155	35.3 Å²	35.3	72%	0.724	19%	0.185	S	C	*	.	S	Bend	trans	-65.7	99.5	168.7	-67.7	-176.4	-178.4	0	0	109.2	P292	E273-P292 HydrophobicContact CG-CG 3.86Å
274	S	84.3	Confident	88.1	Confident	40 Å²	40	36.3 Å²	36.3	28%	0.28	19%	0.189	S	C	.	.	S	Bend	trans	-158.9	-173.3	-177.3	66.7	0	0	0	0	110.1	Q272 G276	Q272-S274 PolarHBondContact O-N 2.97Å; Q272-S274 PolarHBondContact O-OG 3.23Å; S274-G276 PolarHBondContact O-N 3.25Å; S274-G276 VanDerWaalsContact O-N 3.12Å; S274-G276 PolarHBondContact OG-N 3.34Å
275	V	86.8	Confident	87.9	Confident	10 Å²	10	35.5 Å²	35.5	6%	0.061	19%	0.185	C	C	.	.	S	Bend	trans	-63.3	-9	171.5	-73.7	0	0	0	0	114	I278 H287 F289 V546	V275-I278 HydrophobicContact CG2-CD1 3.97Å; V275-H287 PolarHBondContact O-CE1 2.78Å; V275-H287 VanDerWaalsContact O-CE1 3.32Å; V275-H287 PolarHBondContact O-NE2 2.87Å; V275-F289 WeakPolarHBondContact O-CD2 3.47Å; V275-V546 HydrophobicContact CG1-CB 4.39Å; V275-V546 HydrophobicContact CG1-CG1 4.05Å; V275-V546 HydrophobicContact CG1-CG2 3.89Å
276	G	86.8	Confident	87.6	Confident	20 Å²	20	35.7 Å²	35.7	21%	0.206	19%	0.185	C	C	.	.			trans	107.7	-177.3	-167.9	0	0	0	0	0	111	S274 F288	S274-G276 PolarHBondContact O-N 3.25Å; S274-G276 VanDerWaalsContact O-N 3.12Å; S274-G276 PolarHBondContact OG-N 3.34Å; G276-F288 CarbonylContact C-O 3.52Å; G276-F288 VanDerWaalsContact CA-O 3.23Å; G276-F288 WeakPolarHBondContact CA-O 3.29Å
277	D	87.5	Confident	87.4	Confident	24 Å²	24	33.4 Å²	33.4	13%	0.128	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.9	177.4	177.5	40	0	0	0	110.4	Q208 Q279 H287 F288	Q208-D277 HydrophobicContact CG-CB 4.29Å; Q208-D277 PolarHBondContact NE2-OD2 2.78Å; D277-Q279 PolarHBondContact OD2-NE2 3.39Å; D277-H287 CarbonylContact O-C 3.53Å; D277-H287 VanDerWaalsContact O-CA 3.28Å; D277-H287 WeakPolarHBondContact O-CA 3.37Å; D277-H287 PolarHBondContact O-CD2 3.15Å; D277-F288 HydrophobicContact CB-CB 4.48Å; D277-F288 PolarHBondContact N-O 3.36Å; D277-F288 PolarHBondContact O-N 2.75Å
278	I	86.9	Confident	87.3	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.2	-178.9	-53.7	151.1	0	0	0	107.7	V275 I280 V286 H287 F531 V533 A550	V275-I278 HydrophobicContact CG2-CD1 3.97Å; I278-I280 HydrophobicContact CG2-CG1 4.37Å; I278-V286 WeakPolarHBondContact CA-O 3.25Å; I278-H287 HydrophobicContact CG1-CB 4.15Å; I278-H287 WeakPolarHBondContact CG1-CD2 3.49Å; I278-F531 HydrophobicContact CG2-CE1 4.36Å; I278-V533 HydrophobicContact CD1-CB 3.77Å; I278-V533 HydrophobicContact CD1-CG1 4.21Å; I278-V533 HydrophobicContact CD1-CG2 3.51Å; I278-V533 HydrophobicContact CG1-CG2 4.48Å; I278-A550 HydrophobicContact CB-CB 3.89Å; I278-A550 HydrophobicContact CD1-CB 4.09Å; I278-A550 HydrophobicContact CG2-CB 3.55Å
279	Q	82.5	Confident	87.2	Confident	5 Å²	5	33.1 Å²	33.1	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.6	-179.9	-58	-169.6	12.4	0	0	109.5	N72 D277 F285 V286	N72-Q279 VanDerWaalsContact CG-NE2 3.34Å; N72-Q279 PolarHBondContact ND2-OE1 2.83Å; N72-Q279 PolarHBondContact OD1-NE2 3.4Å; N72-Q279 PolarHBondContact OD1-OE1 3.21Å; D277-Q279 PolarHBondContact OD2-NE2 3.39Å; Q279-F285 CarbonylContact O-C 3.02Å; Q279-F285 WeakPolarHBondContact O-CA 3.18Å; Q279-F285 WeakPolarHBondContact O-CB 3.03Å; Q279-V286 PolarHBondContact N-O 2.79Å; Q279-V286 PolarHBondContact O-N 3.16Å
280	I	82.3	Confident	87.2	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.6	-178.2	-54.1	-176.5	0	0	0	108.8	I278 Y284 F285 L523 L528 F531 A550	I278-I280 HydrophobicContact CG2-CG1 4.37Å; I280-Y284 CarbonylContact C-O 3.53Å; I280-Y284 WeakPolarHBondContact CA-O 3.26Å; I280-F285 HydrophobicContact CG1-CB 3.83Å; I280-L523 HydrophobicContact CG2-CD1 3.6Å; I280-L528 HydrophobicContact CD1-CD2 3.97Å; I280-L528 HydrophobicContact CG2-CD1 4.22Å; I280-L528 HydrophobicContact CG2-CD2 3.86Å; I280-F531 HydrophobicContact CD1-CB 4.34Å; I280-F531 HydrophobicContact CD1-CD1 4.17Å; I280-F531 HydrophobicContact CD1-CG 4.12Å; I280-A550 HydrophobicContact CD1-CB 3.82Å; I280-A550 HydrophobicContact CG1-CB 4.49Å
281	V	78.6	Confident	87.1	Confident	8 Å²	8	30.7 Å²	30.7	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	130.9	-177.1	-161.3	0	0	0	0	109.5	G283 Y284 W555 F569 T570	V281-G283 VanDerWaalsContact C-N 3.26Å; V281-G283 PolarHBondContact O-N 3.05Å; V281-G283 VanDerWaalsContact O-N 3.14Å; V281-Y284 PolarHBondContact N-O 3.16Å; V281-Y284 PolarHBondContact O-N 2.86Å; V281-Y284 VanDerWaalsContact O-O 3.12Å; V281-W555 HydrophobicContact CG1-CG 4.37Å; V281-W555 HydrophobicContact CG2-CZ2 4.14Å; V281-F569 HydrophobicContact CG2-CZ 4.46Å; V281-T570 HydrophobicContact CB-CG2 4.23Å; V281-T570 WeakPolarHBondContact CB-OG1 3.49Å; V281-T570 HydrophobicContact CG2-CG2 4.21Å; V281-T570 WeakPolarHBondContact CG2-OG1 3.3Å
282	N	76.5	Confident	86.9	Confident	88 Å²	88	29.7 Å²	29.7	47%	0.471	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	38.5	175.4	-59.3	-8.8	0	0	0	115	Y284 Y564 D568	N282-Y284 VanDerWaalsContact C-N 3.29Å; N282-Y284 VanDerWaalsContact O-CD2 3.24Å; N282-Y284 WeakPolarHBondContact O-CD2 3.31Å; N282-Y284 PolarHBondContact O-N 2.93Å; N282-Y564 PolarHBondContact ND2-OH 3.01Å; N282-Y564 PolarHBondContact OD1-OH 3.26Å; N282-D568 PolarHBondContact ND2-OD1 3.03Å
283	G	83.4	Confident	87.1	Confident	17 Å²	17	29.1 Å²	29.1	18%	0.175	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	9.9	-179.1	0	0	0	0	0	114.7	V281 L523	V281-G283 VanDerWaalsContact C-N 3.26Å; V281-G283 PolarHBondContact O-N 3.05Å; V281-G283 VanDerWaalsContact O-N 3.14Å; G283-L523 WeakPolarHBondContact O-CB 3.4Å; G283-L523 PolarHBondContact O-N 3.42Å
284	Y	88.5	Confident	87.6	Confident	23 Å²	23	23.4 Å²	23.4	9%	0.09	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.5	172.1	-62.3	-89.7	0	0	0	110.5	I280 V281 N282 G521 R522 E571 W574	I280-Y284 CarbonylContact C-O 3.53Å; I280-Y284 WeakPolarHBondContact CA-O 3.26Å; V281-Y284 PolarHBondContact N-O 3.16Å; V281-Y284 PolarHBondContact O-N 2.86Å; V281-Y284 VanDerWaalsContact O-O 3.12Å; N282-Y284 VanDerWaalsContact C-N 3.29Å; N282-Y284 VanDerWaalsContact O-CD2 3.24Å; N282-Y284 WeakPolarHBondContact O-CD2 3.31Å; N282-Y284 PolarHBondContact O-N 2.93Å; Y284-G521 CarbonylContact C-O 3.57Å; Y284-G521 VanDerWaalsContact CA-O 3.29Å; Y284-G521 WeakPolarHBondContact CA-O 3.11Å; Y284-R522 HydrophobicContact CD1-CB 3.94Å; Y284-R522 HydrophobicContact CD1-CG 4.11Å; Y284-R522 HydrophobicContact CE1-CB 3.85Å; Y284-R522 HydrophobicContact CE1-CG 3.71Å; Y284-E571 HydrophobicContact CD1-CB 4.42Å; Y284-E571 HydrophobicContact CD1-CG 4.44Å; Y284-E571 HydrophobicContact CD2-CB 3.65Å; Y284-E571 HydrophobicContact CD2-CG 4.1Å; Y284-E571 HydrophobicContact CE1-CB 4.38Å; Y284-E571 HydrophobicContact CE1-CG 3.94Å; Y284-E571 HydrophobicContact CE2-CB 3.6Å; Y284-E571 HydrophobicContact CE2-CG 3.55Å; Y284-E571 WeakPolarHBondContact CE2-OE2 3.14Å; Y284-E571 HydrophobicContact CG-CB 4.07Å; Y284-E571 VanDerWaalsContact CZ-CG 3.46Å; Y284-E571 PolarHBondContact OH-OE1 3.04Å; Y284-W574 HydrophobicContact CD1-CB 4.12Å; Y284-W574 AromaticContact CD1-CD2 3.87Å; Y284-W574 HydrophobicContact CD1-CD2 3.87Å; Y284-W574 AromaticContact CD1-CE3 3.99Å; Y284-W574 HydrophobicContact CD1-CE3 3.99Å; Y284-W574 AromaticContact CD1-CG 3.91Å; Y284-W574 HydrophobicContact CD1-CG 3.91Å; Y284-W574 AromaticContact CE1-CD2 3.79Å; Y284-W574 HydrophobicContact CE1-CD2 3.79Å; Y284-W574 AromaticContact CE1-CE3 3.52Å; Y284-W574 HydrophobicContact CE1-CE3 3.52Å; Y284-W574 HydrophobicContact CE1-CG 4.34Å; Y284-W574 HydrophobicContact CE1-CH2 4.47Å; Y284-W574 AromaticContact CE1-CZ3 3.89Å; Y284-W574 HydrophobicContact CE1-CZ3 3.89Å
285	F	89.3	Confident	88	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	154.3	172.3	77.7	-91	0	0	0	112.8	Q279 I280 Y495 V500 V503 A520 G521 L523 F531	Q279-F285 CarbonylContact O-C 3.02Å; Q279-F285 WeakPolarHBondContact O-CA 3.18Å; Q279-F285 WeakPolarHBondContact O-CB 3.03Å; I280-F285 HydrophobicContact CG1-CB 3.83Å; F285-Y495 HydrophobicContact CD2-CE1 4.43Å; F285-Y495 AromaticContact CE2-CD1 3.9Å; F285-Y495 HydrophobicContact CE2-CD1 3.9Å; F285-Y495 AromaticContact CE2-CE1 3.51Å; F285-Y495 HydrophobicContact CE2-CE1 3.51Å; F285-Y495 AromaticContact CE2-CZ 3.87Å; F285-Y495 AromaticContact CZ-CD1 3.86Å; F285-Y495 HydrophobicContact CZ-CD1 3.86Å; F285-Y495 HydrophobicContact CZ-CD2 4.44Å; F285-Y495 AromaticContact CZ-CE1 3.91Å; F285-Y495 HydrophobicContact CZ-CE1 3.91Å; F285-Y495 HydrophobicContact CZ-CE2 4.49Å; F285-Y495 HydrophobicContact CZ-CG 4.14Å; F285-V500 HydrophobicContact CE1-CG1 3.88Å; F285-V500 HydrophobicContact CE1-CG2 3.83Å; F285-V500 HydrophobicContact CZ-CG1 4.44Å; F285-V500 HydrophobicContact CZ-CG2 4.41Å; F285-V503 HydrophobicContact CZ-CG2 3.96Å; F285-A520 CarbonylContact O-C 3.58Å; F285-A520 WeakPolarHBondContact O-CA 3.18Å; F285-G521 VanDerWaalsContact CE1-CA 3.43Å; F285-G521 PolarHBondContact N-O 3.4Å; F285-G521 PolarHBondContact O-N 2.86Å; F285-L523 HydrophobicContact CD1-CD2 3.69Å; F285-L523 HydrophobicContact CD1-CG 4.3Å; F285-L523 HydrophobicContact CE1-CD2 4.14Å; F285-F531 HydrophobicContact CD1-CZ 4.05Å; F285-F531 HydrophobicContact CD2-CZ 4.5Å; F285-F531 AromaticContact CE1-CZ 3.98Å; F285-F531 HydrophobicContact CE1-CZ 3.98Å; F285-F531 HydrophobicContact CE2-CZ 4.47Å; F285-F531 HydrophobicContact CG-CZ 4.3Å; F285-F531 HydrophobicContact CZ-CZ 4.2Å
286	V	91.9	Very high	88.3	Confident	3 Å²	3	27 Å²	27	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.8	170.7	-175.2	0	0	0	0	108.7	I278 Q279 F288 V518 V519 A520 T570 L573	I278-V286 WeakPolarHBondContact CA-O 3.25Å; Q279-V286 PolarHBondContact N-O 2.79Å; Q279-V286 PolarHBondContact O-N 3.16Å; V286-F288 HydrophobicContact CB-CE2 4.26Å; V286-F288 HydrophobicContact CG1-CD2 4.2Å; V286-F288 HydrophobicContact CG1-CE1 4.24Å; V286-F288 HydrophobicContact CG1-CE2 3.52Å; V286-F288 HydrophobicContact CG1-CZ 3.53Å; V286-V518 HydrophobicContact CG1-CG1 3.94Å; V286-V519 CarbonylContact C-O 3.54Å; V286-V519 WeakPolarHBondContact CA-O 3.26Å; V286-A520 HydrophobicContact CG2-CB 4.1Å; V286-T570 HydrophobicContact CG2-CG2 3.8Å; V286-L573 HydrophobicContact CB-CD2 4.43Å; V286-L573 HydrophobicContact CG1-CD1 4.11Å; V286-L573 HydrophobicContact CG1-CD2 3.82Å; V286-L573 HydrophobicContact CG2-CB 4.5Å; V286-L573 HydrophobicContact CG2-CD1 4.07Å; V286-L573 HydrophobicContact CG2-CD2 3.66Å; V286-L573 HydrophobicContact CG2-CG 4.28Å
287	H	93.5	Very high	88.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.8	-176	-175.7	-172	0	0	0	110	V275 D277 I278 Y495 V518 V519	V275-H287 PolarHBondContact O-CE1 2.78Å; V275-H287 VanDerWaalsContact O-CE1 3.32Å; V275-H287 PolarHBondContact O-NE2 2.87Å; D277-H287 CarbonylContact O-C 3.53Å; D277-H287 VanDerWaalsContact O-CA 3.28Å; D277-H287 WeakPolarHBondContact O-CA 3.37Å; D277-H287 PolarHBondContact O-CD2 3.15Å; I278-H287 HydrophobicContact CG1-CB 4.15Å; I278-H287 WeakPolarHBondContact CG1-CD2 3.49Å; H287-Y495 HydrophobicContact CB-CE1 4.47Å; H287-Y495 AromaticContact ND1-CE1 3.73Å; H287-Y495 AromaticContact ND1-CZ 3.74Å; H287-Y495 PolarHBondContact ND1-OH 2.96Å; H287-V518 WeakPolarHBondContact O-CA 3.5Å; H287-V519 HydrophobicContact CB-CB 4.42Å; H287-V519 PolarHBondContact N-O 2.99Å; H287-V519 PolarHBondContact O-N 3.25Å
288	F	94.4	Very high	89.1	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.8	175.3	-57.5	-88.7	0	0	0	110.2	N72 R73 L175 G276 D277 V286 V518 L573	N72-F288 HydrophobicContact CB-CE2 4.3Å; N72-F288 HydrophobicContact CB-CZ 4.32Å; N72-F288 VanDerWaalsContact O-CZ 3.3Å; N72-F288 WeakPolarHBondContact O-CZ 3.42Å; R73-F288 HydrophobicContact CB-CE1 4.2Å; R73-F288 HydrophobicContact CG-CE1 4.23Å; L175-F288 HydrophobicContact CD1-CE1 4.47Å; G276-F288 CarbonylContact C-O 3.52Å; G276-F288 VanDerWaalsContact CA-O 3.23Å; G276-F288 WeakPolarHBondContact CA-O 3.29Å; D277-F288 HydrophobicContact CB-CB 4.48Å; D277-F288 PolarHBondContact N-O 3.36Å; D277-F288 PolarHBondContact O-N 2.75Å; V286-F288 HydrophobicContact CB-CE2 4.26Å; V286-F288 HydrophobicContact CG1-CD2 4.2Å; V286-F288 HydrophobicContact CG1-CE1 4.24Å; V286-F288 HydrophobicContact CG1-CE2 3.52Å; V286-F288 HydrophobicContact CG1-CZ 3.53Å; F288-V518 HydrophobicContact CD1-CB 4.47Å; F288-V518 HydrophobicContact CD1-CG1 3.99Å; F288-V518 HydrophobicContact CD1-CG2 3.76Å; F288-V518 HydrophobicContact CE1-CG1 3.83Å; F288-V518 HydrophobicContact CE1-CG2 4.08Å; F288-V518 HydrophobicContact CZ-CG1 4.48Å; F288-L573 HydrophobicContact CZ-CD1 4.36Å
289	F	95.3	Very high	89.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	111.6	-178.6	-178.7	-108.1	0	0	0	111.7	V275 P291 L488 V491 L493 L511 I517 V535 Y544 V546	V275-F289 WeakPolarHBondContact O-CD2 3.47Å; F289-P291 HydrophobicContact CE1-CG 4.16Å; F289-P291 HydrophobicContact CE2-CB 4.47Å; F289-P291 HydrophobicContact CE2-CG 4.02Å; F289-P291 HydrophobicContact CZ-CB 4.5Å; F289-P291 VanDerWaalsContact CZ-CD 3.49Å; F289-P291 HydrophobicContact CZ-CG 3.63Å; F289-L488 HydrophobicContact CE1-CD1 4.01Å; F289-L488 HydrophobicContact CZ-CD1 4.15Å; F289-V491 HydrophobicContact CD1-CG1 4.3Å; F289-V491 HydrophobicContact CE1-CG1 4Å; F289-L493 HydrophobicContact CB-CD2 4.06Å; F289-L511 HydrophobicContact CD1-CD2 4.36Å; F289-L511 HydrophobicContact CE1-CD2 4Å; F289-I517 HydrophobicContact CB-CB 4.28Å; F289-I517 HydrophobicContact CD1-CB 4.49Å; F289-I517 HydrophobicContact CD1-CD1 4.27Å; F289-I517 PolarHBondContact N-O 2.85Å; F289-I517 PolarHBondContact O-N 2.9Å; F289-V535 HydrophobicContact CD1-CG1 4.16Å; F289-V535 HydrophobicContact CD2-CG1 4.34Å; F289-V535 HydrophobicContact CD2-CG2 4.23Å; F289-V535 HydrophobicContact CE1-CG1 3.72Å; F289-V535 HydrophobicContact CE2-CB 4.25Å; F289-V535 HydrophobicContact CE2-CG1 3.91Å; F289-V535 HydrophobicContact CE2-CG2 4.24Å; F289-V535 HydrophobicContact CG-CG1 4.45Å; F289-V535 HydrophobicContact CZ-CB 4.35Å; F289-V535 HydrophobicContact CZ-CG1 3.59Å; F289-Y544 HydrophobicContact CE2-CE1 4.24Å; F289-Y544 AromaticContact CZ-CE1 3.64Å; F289-Y544 HydrophobicContact CZ-CE1 3.64Å; F289-V546 HydrophobicContact CE2-CG1 4.48Å
290	A	94.8	Very high	90.2	Very high	10 Å²	10	25 Å²	25	8%	0.083	14%	0.14	C	C	.	.			trans	-157.4	80	174.3	0	0	0	0	0	108.7	E516	A290-E516 HydrophobicContact CB-CB 3.96Å; A290-E516 HydrophobicContact CB-CG 3.87Å
291	P	91.7	Very high	90.9	Very high	13 Å²	13	24.7 Å²	24.7	8%	0.084	14%	0.139	C	C	.	.			trans	-61.6	137.9	-179.6	25.6	-35.6	0	0	0	110.9	F289 L294 L511	F289-P291 HydrophobicContact CE1-CG 4.16Å; F289-P291 HydrophobicContact CE2-CB 4.47Å; F289-P291 HydrophobicContact CE2-CG 4.02Å; F289-P291 HydrophobicContact CZ-CB 4.5Å; F289-P291 VanDerWaalsContact CZ-CD 3.49Å; F289-P291 HydrophobicContact CZ-CG 3.63Å; P291-L294 HydrophobicContact CB-CD1 4.23Å; P291-L294 HydrophobicContact CB-CG 4.21Å; P291-L294 HydrophobicContact CG-CD1 3.43Å; P291-L294 VanDerWaalsContact CG-CD1 3.43Å; P291-L294 HydrophobicContact CG-CG 3.93Å; P291-L511 HydrophobicContact CG-CD2 4.27Å
292	P	87.7	Confident	91.9	Very high	28 Å²	28	24.3 Å²	24.3	18%	0.182	14%	0.136	C	C	.	.	S	Bend	trans	-71.9	159.2	174.1	31.9	-33.8	0	0	0	111	R271 E273 L294	R271-P292 HydrophobicContact CB-CB 4.41Å; R271-P292 HydrophobicContact CB-CG 4.35Å; E273-P292 HydrophobicContact CG-CG 3.86Å; P292-L294 VanDerWaalsContact C-N 3.29Å; P292-L294 PolarHBondContact O-N 3.31Å
293	D	85.1	Confident	92.9	Very high	150 Å²	150	20.3 Å²	20.3	80%	0.802	12%	0.115	S	C	*	.	S	Bend	trans	58.1	24.3	162.5	-55.1	-41.7	0	0	0	117.8
294	L	91.1	Very high	93.7	Very high	36 Å²	36	19.5 Å²	19.5	19%	0.188	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-69.3	141.8	173.2	-69.4	-173.5	0	0	0	112.7	P291 P292 L487 L488 Y544	P291-L294 HydrophobicContact CB-CD1 4.23Å; P291-L294 HydrophobicContact CB-CG 4.21Å; P291-L294 HydrophobicContact CG-CD1 3.43Å; P291-L294 VanDerWaalsContact CG-CD1 3.43Å; P291-L294 HydrophobicContact CG-CG 3.93Å; P292-L294 VanDerWaalsContact C-N 3.29Å; P292-L294 PolarHBondContact O-N 3.31Å; L294-L487 HydrophobicContact CB-CB 4.18Å; L294-L487 HydrophobicContact CB-CD1 4.3Å; L294-L487 HydrophobicContact CB-CD2 4.36Å; L294-L487 HydrophobicContact CD1-CB 4.23Å; L294-L488 HydrophobicContact CD1-CD1 3.73Å; L294-L488 HydrophobicContact CD1-CD2 3.96Å; L294-L488 HydrophobicContact CD1-CG 3.62Å; L294-Y544 HydrophobicContact CD1-CE2 4.49Å; L294-Y544 HydrophobicContact CD2-CD2 4.22Å; L294-Y544 HydrophobicContact CD2-CE2 3.8Å
295	P	92.9	Very high	94.1	Very high	73 Å²	73	18.8 Å²	18.8	47%	0.474	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-67	139.7	174	28.4	-33.8	0	0	0	110.7	F540	P295-F540 HydrophobicContact CB-CB 4.34Å; P295-F540 HydrophobicContact CB-CD1 4.49Å; P295-F540 HydrophobicContact CG-CB 4.28Å
296	R	94.3	Very high	94.5	Very high	52 Å²	52	18.8 Å²	18.8	20%	0.196	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-67.8	134.6	177.3	179.2	-177.9	175.1	-81.5	-14.8	111.3	D334 A484	R296-D334 IonicContact CZ-OD1 2.66Å; R296-D334 IonicContact CZ-OD2 3.38Å; R296-D334 IonicContact NH1-OD1 2.9Å; R296-D334 PolarHBondContact NH1-OD1 2.86Å; R296-D334 IonicContact NH1-OD2 3.98Å; R296-D334 IonicContact NH2-OD1 3.8Å; R296-D334 PolarHBondContact NH2-OD1 3.27Å; R296-D334 IonicContact NH2-OD2 2.69Å; R296-D334 PolarHBondContact NH2-OD2 3.37Å; R296-A484 PolarHBondContact NH2-O 3Å; R296-A484 VanDerWaalsContact NH2-O 3.14Å
297	V	94.9	Very high	94.7	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-82.2	127.4	169.2	-179.6	0	0	0	0	109.2	P486 L487 L489 F540	V297-P486 HydrophobicContact CB-CG 4.36Å; V297-P486 PolarHBondContact N-O 3.3Å; V297-P486 WeakPolarHBondContact O-CG 3.32Å; V297-L487 WeakPolarHBondContact CG2-O 3.33Å; V297-L489 HydrophobicContact CG1-CD1 4.36Å; V297-F540 HydrophobicContact CG2-CB 4.3Å
298	P	95.3	Very high	94.8	Very high	7 Å²	7	20.1 Å²	20.1	5%	0.045	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-59.5	147.8	174.3	-24.2	33.4	0	0	0	112.1	D333 S402 V403 F540	P298-D333 HydrophobicContact CB-CB 4.43Å; P298-D333 HydrophobicContact CG-CB 4.35Å; P298-S402 WeakPolarHBondContact O-CA 3.34Å; P298-S402 WeakPolarHBondContact O-CB 3.42Å; P298-V403 PolarHBondContact O-N 3.44Å; P298-F540 HydrophobicContact CG-CD2 4.01Å; P298-F540 HydrophobicContact CG-CE2 3.63Å
299	K	95.4	Very high	94.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.017	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.1	179.2	69.6	-174.6	-174.6	-75.1	0	112.5	D334 H335 V403 M405 Y480 A484	K299-D334 HydrophobicContact CG-CB 4.36Å; K299-D334 PolarHBondContact N-OD1 2.94Å; K299-D334 VanDerWaalsContact N-OD1 3.08Å; K299-D334 IonicContact NZ-OD2 3.3Å; K299-D334 PolarHBondContact NZ-OD2 3.14Å; K299-D334 WeakPolarHBondContact O-CA 3.46Å; K299-D334 WeakPolarHBondContact O-CB 3.45Å; K299-H335 PolarHBondContact O-N 2.87Å; K299-V403 CarbonylContact C-O 3.52Å; K299-V403 WeakPolarHBondContact CA-O 3.49Å; K299-V403 HydrophobicContact CB-CG1 3.72Å; K299-M405 HydrophobicContact CB-SD 4.07Å; K299-M405 HydrophobicContact CD-SD 3.97Å; K299-Y480 VanDerWaalsContact CE-OH 3.23Å; K299-Y480 WeakPolarHBondContact CE-OH 2.86Å; K299-Y480 PolarHBondContact NZ-OH 3.2Å; K299-A484 WeakPolarHBondContact CD-O 3.26Å; K299-A484 WeakPolarHBondContact CE-O 3.3Å; K299-A484 PolarHBondContact NZ-O 3.36Å
300	N	97.6	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	104.1	171.2	-52.8	-46.4	0	0	0	107.7	H335 L352 L389 R393 L398 S402 V403 D404 M405	N300-H335 CarbonylContact C-O 3.51Å; N300-H335 VanDerWaalsContact CA-O 3.24Å; N300-H335 WeakPolarHBondContact CA-O 3.5Å; N300-L352 HydrophobicContact CB-CD2 3.78Å; N300-L389 HydrophobicContact CB-CD2 3.85Å; N300-R393 PolarHBondContact ND2-NH2 2.85Å; N300-L398 HydrophobicContact CB-CD1 4.21Å; N300-L398 HydrophobicContact CB-CD2 4.43Å; N300-S402 PolarHBondContact ND2-OG 3.42Å; N300-V403 PolarHBondContact N-O 2.8Å; N300-D404 WeakPolarHBondContact CB-OD1 3.39Å; N300-D404 PolarHBondContact ND2-OD1 2.79Å; N300-M405 PolarHBondContact O-N 2.85Å
301	V	97.8	Very high	94.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.3	-169.2	60	0	0	0	0	112.3	F303 L330 H335 F336 A337 M405 I407	V301-F303 HydrophobicContact CB-CE2 4.43Å; V301-F303 HydrophobicContact CG1-CD2 4.43Å; V301-F303 HydrophobicContact CG1-CE2 3.61Å; V301-F303 HydrophobicContact CG1-CZ 3.83Å; V301-F303 HydrophobicContact CG2-CD1 4.39Å; V301-F303 HydrophobicContact CG2-CD2 4.35Å; V301-F303 HydrophobicContact CG2-CE1 4.03Å; V301-F303 HydrophobicContact CG2-CE2 4Å; V301-F303 HydrophobicContact CG2-CZ 3.83Å; V301-L330 HydrophobicContact CG1-CD2 3.96Å; V301-H335 PolarHBondContact N-O 3.45Å; V301-F336 HydrophobicContact CG1-CB 3.82Å; V301-F336 CarbonylContact O-C 3.59Å; V301-F336 WeakPolarHBondContact O-CA 3.18Å; V301-A337 PolarHBondContact O-N 2.84Å; V301-M405 WeakPolarHBondContact CA-O 3.49Å; V301-M405 HydrophobicContact CB-CB 4.45Å; V301-M405 HydrophobicContact CG2-CB 4.39Å; V301-I407 HydrophobicContact CG2-CD1 3.94Å; V301-I407 HydrophobicContact CG2-CG1 4.14Å
302	V	98.5	Very high	94.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.5	169.9	-174.5	0	0	0	0	108.8	V304 A337 I339 L352 L389 M405 I406 I407	V302-V304 HydrophobicContact CG1-CG2 4.02Å; V302-A337 HydrophobicContact CG1-CB 4.35Å; V302-A337 HydrophobicContact CG2-CB 4.29Å; V302-I339 HydrophobicContact CG1-CD1 3.67Å; V302-I339 HydrophobicContact CG1-CG1 3.93Å; V302-L352 HydrophobicContact CG2-CD1 4.46Å; V302-L352 HydrophobicContact CG2-CD2 4.44Å; V302-L389 HydrophobicContact CG2-CD1 3.86Å; V302-L389 HydrophobicContact CG2-CD2 4.05Å; V302-L389 HydrophobicContact CG2-CG 3.66Å; V302-M405 PolarHBondContact N-O 2.88Å; V302-I406 HydrophobicContact CB-CG1 4.49Å; V302-I406 WeakPolarHBondContact O-CA 3.42Å; V302-I407 PolarHBondContact O-N 3.01Å
303	F	98.4	Very high	95	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.7	172.5	-56.9	-86.8	0	0	0	109	V301 I305 L323 I326 L327 F336 A337 L338 I339 I407 Y480	V301-F303 HydrophobicContact CB-CE2 4.43Å; V301-F303 HydrophobicContact CG1-CD2 4.43Å; V301-F303 HydrophobicContact CG1-CE2 3.61Å; V301-F303 HydrophobicContact CG1-CZ 3.83Å; V301-F303 HydrophobicContact CG2-CD1 4.39Å; V301-F303 HydrophobicContact CG2-CD2 4.35Å; V301-F303 HydrophobicContact CG2-CE1 4.03Å; V301-F303 HydrophobicContact CG2-CE2 4Å; V301-F303 HydrophobicContact CG2-CZ 3.83Å; F303-I305 HydrophobicContact CB-CD1 4.18Å; F303-I305 HydrophobicContact CB-CG1 4.34Å; F303-L323 HydrophobicContact CB-CD1 4.35Å; F303-L323 HydrophobicContact CD1-CD1 4.27Å; F303-L323 HydrophobicContact CG-CD1 4.16Å; F303-I326 HydrophobicContact CE1-CG2 3.6Å; F303-I326 HydrophobicContact CZ-CG2 3.61Å; F303-L327 HydrophobicContact CE2-CD2 4.41Å; F303-F336 HydrophobicContact CE2-CB 4.33Å; F303-A337 PolarHBondContact N-O 2.99Å; F303-L338 HydrophobicContact CB-CD2 3.72Å; F303-L338 HydrophobicContact CD2-CD2 3.73Å; F303-L338 HydrophobicContact CG-CD2 4.05Å; F303-I339 PolarHBondContact O-N 2.91Å; F303-I407 HydrophobicContact CD1-CB 4.11Å; F303-I407 HydrophobicContact CD1-CD1 4.24Å; F303-I407 HydrophobicContact CE1-CD1 3.81Å; F303-Y480 HydrophobicContact CE1-CD2 4.42Å; F303-Y480 HydrophobicContact CE1-CE2 4.27Å; F303-Y480 HydrophobicContact CZ-CE2 4.13Å
304	V	98.4	Very high	95.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.4	-179.5	-176.3	0	0	0	0	107.8	V302 I339 F341 A381 I406 I407 L408 L409	V302-V304 HydrophobicContact CG1-CG2 4.02Å; V304-I339 CarbonylContact C-O 3.6Å; V304-I339 WeakPolarHBondContact CA-O 3.1Å; V304-I339 HydrophobicContact CG2-CB 4.39Å; V304-F341 HydrophobicContact CG1-CD1 3.6Å; V304-F341 HydrophobicContact CG1-CE1 3.72Å; V304-A381 HydrophobicContact CG1-CB 3.62Å; V304-I406 HydrophobicContact CG2-CG2 3.75Å; V304-I407 PolarHBondContact N-O 3.45Å; V304-L408 HydrophobicContact CB-CD1 4.06Å; V304-L408 HydrophobicContact CG1-CD1 3.73Å; V304-L408 CarbonylContact O-C 3.53Å; V304-L408 WeakPolarHBondContact O-CA 3.17Å; V304-L409 PolarHBondContact O-N 3.26Å
305	I	98.1	Very high	95.4	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.4	-166.5	-52.8	-59.7	0	0	0	110.2	F303 R307 T319 L323 I339 Q340 F341 L409	F303-I305 HydrophobicContact CB-CD1 4.18Å; F303-I305 HydrophobicContact CB-CG1 4.34Å; I305-R307 PolarHBondContact O-N 2.87Å; I305-T319 HydrophobicContact CG2-CG2 3.76Å; I305-L323 HydrophobicContact CG1-CD2 4.15Å; I305-I339 PolarHBondContact N-O 3.23Å; I305-Q340 CarbonylContact O-C 3.02Å; I305-Q340 VanDerWaalsContact O-CA 3.27Å; I305-Q340 WeakPolarHBondContact O-CA 3.17Å; I305-F341 VanDerWaalsContact C-CD1 3.46Å; I305-F341 VanDerWaalsContact C-CE1 3.45Å; I305-F341 VanDerWaalsContact O-CD1 3.3Å; I305-F341 WeakPolarHBondContact O-CD1 3.46Å; I305-F341 PolarHBondContact O-N 2.83Å; I305-L409 HydrophobicContact CD1-CB 4.05Å; I305-L409 HydrophobicContact CD1-CD2 4.36Å
306	D	97.4	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.1	173.4	-167.1	-17.4	0	0	0	109.9	S308 M311 F341 T376 L409 T410	D306-S308 WeakPolarHBondContact OD1-CA 3.48Å; D306-S308 WeakPolarHBondContact OD1-CB 3.46Å; D306-S308 PolarHBondContact OD1-N 3.44Å; D306-S308 PolarHBondContact OD1-OG 3.04Å; D306-S308 PolarHBondContact OD2-OG 3.44Å; D306-M311 HydrophobicContact CB-CG 4.41Å; D306-F341 HydrophobicContact CB-CE1 3.74Å; D306-F341 HydrophobicContact CB-CE2 4.17Å; D306-F341 HydrophobicContact CB-CZ 3.52Å; D306-T376 WeakPolarHBondContact OD2-CG2 2.96Å; D306-L409 WeakPolarHBondContact CB-O 3.25Å; D306-L409 PolarHBondContact N-O 3.25Å; D306-T410 WeakPolarHBondContact OD2-CB 3.26Å; D306-T410 PolarHBondContact OD2-OG1 2.89Å
307	R	96.8	Very high	95.5	Very high	30 Å²	30	19.3 Å²	19.3	11%	0.113	14%	0.138	C	C	.	.			trans	-125.4	24.8	172.5	66.6	161.8	-161.2	-162	-3.4	111.8	I305 M316 Q340 F341 D342 I370 R371 D372 N373	I305-R307 PolarHBondContact O-N 2.87Å; R307-M316 HydrophobicContact CB-CE 3.86Å; R307-Q340 HydrophobicContact CG-CB 4.35Å; R307-F341 WeakPolarHBondContact CG-O 3.41Å; R307-F341 PolarHBondContact N-O 3.22Å; R307-D342 HydrophobicContact CG-CB 4.11Å; R307-D342 IonicContact CZ-OD1 3.53Å; R307-D342 IonicContact CZ-OD2 2.93Å; R307-D342 VanDerWaalsContact NE-CG 3.29Å; R307-D342 IonicContact NE-OD1 2.66Å; R307-D342 IonicContact NE-OD2 2.72Å; R307-D342 PolarHBondContact NE-OD2 2.63Å; R307-D342 IonicContact NH2-OD1 2.9Å; R307-D342 PolarHBondContact NH2-OD1 2.91Å; R307-D342 IonicContact NH2-OD2 2.98Å; R307-D342 PolarHBondContact NH2-OD2 3.13Å; R307-I370 HydrophobicContact CB-CG2 3.9Å; R307-R371 WeakPolarHBondContact CD-O 3.43Å; R307-D372 CarbonylContact O-C 3.41Å; R307-D372 WeakPolarHBondContact O-CA 3.42Å; R307-N373 PolarHBondContact O-N 3.04Å
308	S	95.8	Very high	95.4	Very high	1 Å²	1	20 Å²	20	1%	0.007	14%	0.141	C	C	.	.			trans	-57	160.7	173.8	60.4	0	0	0	0	111.9	D306 S310 M311 N373 A375 T376 D411	D306-S308 WeakPolarHBondContact OD1-CA 3.48Å; D306-S308 WeakPolarHBondContact OD1-CB 3.46Å; D306-S308 PolarHBondContact OD1-N 3.44Å; D306-S308 PolarHBondContact OD1-OG 3.04Å; D306-S308 PolarHBondContact OD2-OG 3.44Å; S308-S310 PolarHBondContact O-N 3.42Å; S308-S310 VanDerWaalsContact O-N 3.1Å; S308-S310 PolarHBondContact OG-OG 2.87Å; S308-M311 WeakPolarHBondContact O-CB 3.43Å; S308-M311 PolarHBondContact O-N 3.16Å; S308-N373 VanDerWaalsContact CA-O 3.3Å; S308-N373 WeakPolarHBondContact CA-O 3.2Å; S308-A375 WeakPolarHBondContact CB-O 3.29Å; S308-T376 WeakPolarHBondContact CB-OG1 3.49Å; S308-T376 PolarHBondContact OG-OG1 3.42Å; S308-D411 PolarHBondContact OG-OD1 2.88Å
309	G	93.3	Very high	95.4	Very high	33 Å²	33	19.8 Å²	19.8	34%	0.34	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-58.7	-23.6	-179.2	0	0	0	0	0	114.7	M311 S312 G374	G309-M311 PolarHBondContact O-N 2.91Å; G309-S312 VanDerWaalsContact O-CB 3.3Å; G309-S312 WeakPolarHBondContact O-CB 3.39Å; G309-S312 PolarHBondContact O-N 2.96Å; G309-S312 PolarHBondContact O-OG 2.85Å; G309-G374 PolarHBondContact N-O 3.27Å; G309-G374 VanDerWaalsContact N-O 3.11Å
310	S	92.8	Very high	95.5	Very high	49 Å²	49	22.8 Å²	22.8	34%	0.343	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-66.6	-26.3	175.9	41.9	0	0	0	0	113	S308 S312 K315 D411	S308-S310 PolarHBondContact O-N 3.42Å; S308-S310 VanDerWaalsContact O-N 3.1Å; S308-S310 PolarHBondContact OG-OG 2.87Å; S310-S312 PolarHBondContact O-N 2.96Å; S310-K315 WeakPolarHBondContact O-CE 3.37Å; S310-K315 PolarHBondContact O-NZ 2.75Å; S310-D411 WeakPolarHBondContact CB-OD2 3.16Å; S310-D411 PolarHBondContact OG-OD1 3.28Å; S310-D411 PolarHBondContact OG-OD2 3.37Å
311	M	94.6	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-71.4	-6.9	177.9	-68.4	-72.9	-77.5	0	0	113.2	D306 S308 G309 K315 M316 T319 D411 F443	D306-M311 HydrophobicContact CB-CG 4.41Å; S308-M311 WeakPolarHBondContact O-CB 3.43Å; S308-M311 PolarHBondContact O-N 3.16Å; G309-M311 PolarHBondContact O-N 2.91Å; M311-K315 WeakPolarHBondContact O-CB 3.32Å; M311-K315 HydrophobicContact SD-CB 4.35Å; M311-M316 HydrophobicContact CB-CB 4.47Å; M311-M316 HydrophobicContact CB-CE 3.81Å; M311-M316 HydrophobicContact CE-CE 4.5Å; M311-M316 HydrophobicContact CG-CE 4.49Å; M311-M316 WeakPolarHBondContact O-CB 3.3Å; M311-M316 PolarHBondContact O-N 3.32Å; M311-T319 HydrophobicContact CE-CG2 4.26Å; M311-T319 WeakPolarHBondContact CE-OG1 3.37Å; M311-D411 WeakPolarHBondContact CA-OD2 3.5Å; M311-D411 HydrophobicContact CG-CB 4.44Å; M311-D411 WeakPolarHBondContact CG-OD1 3.04Å; M311-D411 PolarHBondContact N-OD2 2.87Å; M311-D411 VanDerWaalsContact N-OD2 3.17Å; M311-D411 HydrophobicContact SD-CB 3.49Å; M311-D411 WeakPolarHBondContact SD-CB 3.43Å; M311-F443 HydrophobicContact CE-CD1 4.43Å
312	S	93.1	Very high	95.2	Very high	60 Å²	60	27.5 Å²	27.5	42%	0.42	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	150	-177.2	68	0	0	0	0	113.9	G309 S310 D372	G309-S312 VanDerWaalsContact O-CB 3.3Å; G309-S312 WeakPolarHBondContact O-CB 3.39Å; G309-S312 PolarHBondContact O-N 2.96Å; G309-S312 PolarHBondContact O-OG 2.85Å; S310-S312 PolarHBondContact O-N 2.96Å; S312-D372 WeakPolarHBondContact CA-OD2 3.22Å; S312-D372 WeakPolarHBondContact CB-OD2 3.38Å
313	G	92.6	Very high	95.1	Very high	55 Å²	55	27.8 Å²	27.8	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	-129.9	178.5	0	0	0	0	0	113.7	K315 A317	G313-K315 PolarHBondContact O-N 2.9Å; G313-A317 PolarHBondContact O-N 3.13Å
314	T	92.1	Very high	95	Very high	100 Å²	100	28.6 Å²	28.6	61%	0.613	18%	0.183	S	C	*	.	H	α-helix	trans	-66.7	-36.4	-170.5	-49.8	0	0	0	0	112.7	A317 Q318	T314-A317 PolarHBondContact O-N 2.84Å; T314-Q318 HydrophobicContact CG2-CG 4.1Å; T314-Q318 WeakPolarHBondContact O-CB 3.36Å; T314-Q318 WeakPolarHBondContact O-CG 3.46Å; T314-Q318 PolarHBondContact O-N 3.31Å
315	K	92.8	Very high	94.8	Very high	18 Å²	18	29.8 Å²	29.8	8%	0.078	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-51.5	178.9	-77.2	-174.1	-81.1	-176.9	0	112	S310 M311 G313 Q318 T319 D411 F443 E468	S310-K315 WeakPolarHBondContact O-CE 3.37Å; S310-K315 PolarHBondContact O-NZ 2.75Å; M311-K315 WeakPolarHBondContact O-CB 3.32Å; M311-K315 HydrophobicContact SD-CB 4.35Å; G313-K315 PolarHBondContact O-N 2.9Å; K315-Q318 PolarHBondContact O-N 3.23Å; K315-T319 VanDerWaalsContact O-CB 3.27Å; K315-T319 WeakPolarHBondContact O-CB 3.27Å; K315-T319 PolarHBondContact O-N 2.82Å; K315-T319 PolarHBondContact O-OG1 3.12Å; K315-D411 HydrophobicContact CD-CB 4.17Å; K315-D411 WeakPolarHBondContact CE-OD2 3.11Å; K315-D411 IonicContact NZ-OD2 3.81Å; K315-D411 PolarHBondContact NZ-OD2 2.9Å; K315-F443 HydrophobicContact CB-CE1 4.38Å; K315-F443 HydrophobicContact CB-CZ 4.34Å; K315-F443 HydrophobicContact CD-CD2 4.19Å; K315-F443 HydrophobicContact CD-CE2 4.5Å; K315-F443 HydrophobicContact CG-CD2 4.03Å; K315-F443 HydrophobicContact CG-CE2 3.85Å; K315-F443 HydrophobicContact CG-CG 4.47Å; K315-F443 HydrophobicContact CG-CZ 4.11Å; K315-E468 HydrophobicContact CD-CG 4.02Å; K315-E468 HydrophobicContact CG-CG 4.06Å
316	M	95.4	Very high	94.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-38.8	176.4	-178.6	56.8	66.1	0	0	112	R307 M311 T319 R320 I370 D372	R307-M316 HydrophobicContact CB-CE 3.86Å; M311-M316 HydrophobicContact CB-CB 4.47Å; M311-M316 HydrophobicContact CB-CE 3.81Å; M311-M316 HydrophobicContact CE-CE 4.5Å; M311-M316 HydrophobicContact CG-CE 4.49Å; M311-M316 WeakPolarHBondContact O-CB 3.3Å; M311-M316 PolarHBondContact O-N 3.32Å; M316-T319 PolarHBondContact O-N 2.79Å; M316-R320 WeakPolarHBondContact O-CG 3.41Å; M316-R320 PolarHBondContact O-N 2.9Å; M316-R320 HydrophobicContact SD-CG 4.1Å; M316-I370 HydrophobicContact CE-CG2 3.86Å; M316-I370 HydrophobicContact SD-CB 4.29Å; M316-I370 HydrophobicContact SD-CG2 3.65Å; M316-D372 HydrophobicContact CE-CB 4.36Å
317	A	94.8	Very high	94.6	Very high	33 Å²	33	30.1 Å²	30.1	27%	0.273	19%	0.194	S	C	.	.	H	α-helix	trans	-59.7	-51.2	175.8	0	0	0	0	0	111.8	G313 T314 T319 R320 D321	G313-A317 PolarHBondContact O-N 3.13Å; T314-A317 PolarHBondContact O-N 2.84Å; A317-T319 VanDerWaalsContact C-N 3.35Å; A317-T319 PolarHBondContact O-N 2.78Å; A317-R320 PolarHBondContact O-N 2.58Å; A317-D321 PolarHBondContact O-N 3.41Å
318	Q	93.4	Very high	94.5	Very high	17 Å²	17	34.5 Å²	34.5	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-37	179.2	-69.8	174.9	-41.8	0	0	112.5	T314 K315 D321 A322 F443 A469 A472	T314-Q318 HydrophobicContact CG2-CG 4.1Å; T314-Q318 WeakPolarHBondContact O-CB 3.36Å; T314-Q318 WeakPolarHBondContact O-CG 3.46Å; T314-Q318 PolarHBondContact O-N 3.31Å; K315-Q318 PolarHBondContact O-N 3.23Å; Q318-D321 PolarHBondContact O-N 3.3Å; Q318-A322 VanDerWaalsContact O-CB 3.31Å; Q318-A322 WeakPolarHBondContact O-CB 3.18Å; Q318-A322 PolarHBondContact O-N 2.96Å; Q318-F443 HydrophobicContact CB-CZ 4.28Å; Q318-A469 PolarHBondContact NE2-O 2.84Å; Q318-A472 HydrophobicContact CB-CB 4.42Å
319	T	95.3	Very high	94.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-46.6	173.9	-64.1	0	0	0	0	111.4	I305 M311 K315 M316 A317 L323 L409 F443	I305-T319 HydrophobicContact CG2-CG2 3.76Å; M311-T319 HydrophobicContact CE-CG2 4.26Å; M311-T319 WeakPolarHBondContact CE-OG1 3.37Å; K315-T319 VanDerWaalsContact O-CB 3.27Å; K315-T319 WeakPolarHBondContact O-CB 3.27Å; K315-T319 PolarHBondContact O-N 2.82Å; K315-T319 PolarHBondContact O-OG1 3.12Å; M316-T319 PolarHBondContact O-N 2.79Å; A317-T319 VanDerWaalsContact C-N 3.35Å; A317-T319 PolarHBondContact O-N 2.78Å; T319-L323 VanDerWaalsContact O-CB 3.26Å; T319-L323 WeakPolarHBondContact O-CB 3.47Å; T319-L323 PolarHBondContact O-N 3.41Å; T319-L409 HydrophobicContact CG2-CD2 3.37Å; T319-F443 WeakPolarHBondContact OG1-CE1 3.35Å
320	R	96.5	Very high	94.4	Very high	66 Å²	66	37.9 Å²	37.9	25%	0.249	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-43.6	177.3	-70.2	-174.4	-58.7	-127.3	-4.2	111.7	M316 A317 L323 V324 A367 I370	M316-R320 WeakPolarHBondContact O-CG 3.41Å; M316-R320 PolarHBondContact O-N 2.9Å; M316-R320 HydrophobicContact SD-CG 4.1Å; A317-R320 PolarHBondContact O-N 2.58Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-V324 WeakPolarHBondContact O-CB 3.21Å; R320-V324 WeakPolarHBondContact O-CG2 3.33Å; R320-V324 PolarHBondContact O-N 3Å; R320-A367 WeakPolarHBondContact CD-O 3.49Å; R320-A367 WeakPolarHBondContact CG-O 3.36Å; R320-I370 PolarHBondContact NH1-O 2.94Å
321	D	94.7	Very high	94.6	Very high	100 Å²	100	40 Å²	40	54%	0.535	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-44	179.4	-69.4	-16.4	0	0	0	111.4	A317 Q318 V324 A325 T473	A317-D321 PolarHBondContact O-N 3.41Å; Q318-D321 PolarHBondContact O-N 3.3Å; D321-V324 PolarHBondContact O-N 3.41Å; D321-A325 PolarHBondContact O-N 3.23Å; D321-A325 VanDerWaalsContact O-N 3.16Å; D321-T473 HydrophobicContact CB-CG2 4.02Å
322	A	94.1	Very high	94.6	Very high	1 Å²	1	45 Å²	45	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-47.6	176.4	0	0	0	0	0	111.6	Q318 V324 A325 I326 T473 L476	Q318-A322 VanDerWaalsContact O-CB 3.31Å; Q318-A322 WeakPolarHBondContact O-CB 3.18Å; Q318-A322 PolarHBondContact O-N 2.96Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.3Å; A322-A325 WeakPolarHBondContact O-CB 3.27Å; A322-A325 PolarHBondContact O-N 3.25Å; A322-A325 VanDerWaalsContact O-N 3.09Å; A322-I326 WeakPolarHBondContact O-CB 3.44Å; A322-I326 VanDerWaalsContact O-CG1 3.3Å; A322-I326 WeakPolarHBondContact O-CG1 3.14Å; A322-I326 PolarHBondContact O-N 2.86Å; A322-T473 HydrophobicContact CB-CG2 4.06Å; A322-L476 HydrophobicContact CB-CB 3.59Å; A322-L476 HydrophobicContact CB-CD1 3.45Å; A322-L476 VanDerWaalsContact CB-CD1 3.45Å; A322-L476 HydrophobicContact CB-CG 4.15Å
323	L	96.3	Very high	94.6	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-38.7	178.7	-174.9	60.3	0	0	0	111.5	F303 I305 T319 R320 A325 I326 L327 L338 A367 I370	F303-L323 HydrophobicContact CB-CD1 4.35Å; F303-L323 HydrophobicContact CD1-CD1 4.27Å; F303-L323 HydrophobicContact CG-CD1 4.16Å; I305-L323 HydrophobicContact CG1-CD2 4.15Å; T319-L323 VanDerWaalsContact O-CB 3.26Å; T319-L323 WeakPolarHBondContact O-CB 3.47Å; T319-L323 PolarHBondContact O-N 3.41Å; R320-L323 PolarHBondContact O-N 2.98Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.16Å; L323-I326 PolarHBondContact O-N 2.71Å; L323-L327 HydrophobicContact CD1-CG 4.37Å; L323-L327 HydrophobicContact CG-CD1 4.16Å; L323-L327 HydrophobicContact CG-CG 4.46Å; L323-L327 WeakPolarHBondContact O-CB 3.17Å; L323-L327 WeakPolarHBondContact O-CD1 3.47Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.57Å; L323-L338 HydrophobicContact CD1-CD2 3.98Å; L323-L338 HydrophobicContact CD2-CD2 4.17Å; L323-L338 HydrophobicContact CG-CD2 4.47Å; L323-A367 HydrophobicContact CD2-CB 3.69Å; L323-A367 HydrophobicContact CG-CB 4.07Å; L323-I370 HydrophobicContact CD2-CD1 4.18Å
324	V	96.7	Very high	94.8	Very high	21 Å²	21	42.8 Å²	42.8	13%	0.127	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-33.5	176.4	163.5	0	0	0	0	112.9	R320 D321 A322 K364 A367 R368	R320-V324 WeakPolarHBondContact O-CB 3.21Å; R320-V324 WeakPolarHBondContact O-CG2 3.33Å; R320-V324 PolarHBondContact O-N 3Å; D321-V324 PolarHBondContact O-N 3.41Å; A322-V324 VanDerWaalsContact C-N 3.27Å; A322-V324 PolarHBondContact O-N 3.3Å; V324-K364 HydrophobicContact CG1-CG 4.36Å; V324-K364 HydrophobicContact CG2-CB 4.48Å; V324-K364 HydrophobicContact CG2-CG 4.49Å; V324-K364 PolarHBondContact O-NZ 2.93Å; V324-A367 HydrophobicContact CG2-CB 4.26Å; V324-R368 HydrophobicContact CG2-CG 4.07Å
325	A	94.4	Very high	95.1	Very high	25 Å²	25	39.2 Å²	39.2	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-75.3	-48.9	174.6	0	0	0	0	0	111.4	D321 A322 L323 L327 E328 D329 Q477	D321-A325 PolarHBondContact O-N 3.23Å; D321-A325 VanDerWaalsContact O-N 3.16Å; A322-A325 WeakPolarHBondContact O-CB 3.27Å; A322-A325 PolarHBondContact O-N 3.25Å; A322-A325 VanDerWaalsContact O-N 3.09Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.16Å; A325-L327 VanDerWaalsContact C-N 3.25Å; A325-L327 PolarHBondContact O-N 3.5Å; A325-E328 WeakPolarHBondContact O-CA 3.45Å; A325-E328 WeakPolarHBondContact O-CB 3.43Å; A325-E328 PolarHBondContact O-N 2.63Å; A325-D329 PolarHBondContact O-N 3.03Å; A325-Q477 HydrophobicContact CB-CG 4.16Å
326	I	95.4	Very high	95.4	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.072	20%	0.197	C	C	.	.	H	α-helix	trans	-55.3	-41	177.2	-71.7	167.9	0	0	0	111.7	F303 A322 L323 E328 D329 L330 Y480	F303-I326 HydrophobicContact CE1-CG2 3.6Å; F303-I326 HydrophobicContact CZ-CG2 3.61Å; A322-I326 WeakPolarHBondContact O-CB 3.44Å; A322-I326 VanDerWaalsContact O-CG1 3.3Å; A322-I326 WeakPolarHBondContact O-CG1 3.14Å; A322-I326 PolarHBondContact O-N 2.86Å; L323-I326 PolarHBondContact O-N 2.71Å; I326-E328 VanDerWaalsContact C-N 3.28Å; I326-E328 PolarHBondContact O-N 2.93Å; I326-D329 PolarHBondContact O-N 2.85Å; I326-L330 PolarHBondContact O-N 2.67Å; I326-Y480 HydrophobicContact CB-CD1 4.21Å; I326-Y480 HydrophobicContact CB-CE1 4.48Å; I326-Y480 HydrophobicContact CB-CG 4.34Å; I326-Y480 HydrophobicContact CD1-CG 4.27Å; I326-Y480 HydrophobicContact CG1-CD1 3.94Å; I326-Y480 HydrophobicContact CG1-CG 3.87Å; I326-Y480 HydrophobicContact CG2-CD1 3.79Å; I326-Y480 HydrophobicContact CG2-CD2 3.72Å; I326-Y480 HydrophobicContact CG2-CE1 3.82Å; I326-Y480 HydrophobicContact CG2-CE2 3.77Å; I326-Y480 HydrophobicContact CG2-CG 3.72Å
327	L	96.4	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-30.6	176.2	-74.3	170.6	0	0	0	112.8	F303 L323 A325 D329 L330 F336 L338 V360 A363 K364 A367	F303-L327 HydrophobicContact CE2-CD2 4.41Å; L323-L327 HydrophobicContact CD1-CG 4.37Å; L323-L327 HydrophobicContact CG-CD1 4.16Å; L323-L327 HydrophobicContact CG-CG 4.46Å; L323-L327 WeakPolarHBondContact O-CB 3.17Å; L323-L327 WeakPolarHBondContact O-CD1 3.47Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.57Å; A325-L327 VanDerWaalsContact C-N 3.25Å; A325-L327 PolarHBondContact O-N 3.5Å; L327-D329 VanDerWaalsContact C-N 3.33Å; L327-L330 HydrophobicContact CD2-CD1 3.73Å; L327-F336 HydrophobicContact CD2-CD2 3.71Å; L327-F336 HydrophobicContact CD2-CE2 3.56Å; L327-F336 HydrophobicContact CD2-CZ 4.32Å; L327-L338 HydrophobicContact CD1-CD1 4.24Å; L327-L338 HydrophobicContact CD2-CD2 4.37Å; L327-V360 HydrophobicContact CB-CG1 4.41Å; L327-V360 WeakPolarHBondContact O-CG1 3.34Å; L327-A363 HydrophobicContact CD1-CB 4.01Å; L327-A363 HydrophobicContact CD2-CB 4.29Å; L327-K364 HydrophobicContact CB-CG 4.05Å; L327-K364 HydrophobicContact CD1-CG 4.01Å; L327-A367 HydrophobicContact CD1-CB 4.26Å
328	E	94	Very high	95.7	Very high	122 Å²	122	37 Å²	37	57%	0.57	19%	0.186	S	C	*	.	H	α-helix	trans	-70.9	-32.1	175.5	-163.4	75.7	-167.4	0	0	111.4	A325 I326 L330 K364	A325-E328 WeakPolarHBondContact O-CA 3.45Å; A325-E328 WeakPolarHBondContact O-CB 3.43Å; A325-E328 PolarHBondContact O-N 2.63Å; I326-E328 VanDerWaalsContact C-N 3.28Å; I326-E328 PolarHBondContact O-N 2.93Å; E328-L330 VanDerWaalsContact C-N 3.3Å; E328-L330 PolarHBondContact O-N 2.87Å; E328-K364 WeakPolarHBondContact OE2-CE 3.29Å; E328-K364 IonicContact OE2-NZ 3.36Å; E328-K364 PolarHBondContact OE2-NZ 3.01Å
329	D	92.9	Very high	95.9	Very high	91 Å²	91	36.3 Å²	36.3	49%	0.487	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.5	-178.8	-61.3	-30.4	0	0	0	113.5	A325 I326 L327 H331 Y480	A325-D329 PolarHBondContact O-N 3.03Å; I326-D329 PolarHBondContact O-N 2.85Å; L327-D329 VanDerWaalsContact C-N 3.33Å; D329-H331 PolarHBondContact O-N 3.16Å; D329-Y480 HydrophobicContact CB-CE1 4.1Å
330	L	95.1	Very high	96	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.073	19%	0.185	C	C	.	.			trans	-66.1	132.1	172.4	-75.5	169.8	0	0	0	110.4	V301 I326 L327 E328 D334 F336 A355 Y480	V301-L330 HydrophobicContact CG1-CD2 3.96Å; I326-L330 PolarHBondContact O-N 2.67Å; L327-L330 HydrophobicContact CD2-CD1 3.73Å; E328-L330 VanDerWaalsContact C-N 3.3Å; E328-L330 PolarHBondContact O-N 2.87Å; L330-D334 HydrophobicContact CD2-CB 4.3Å; L330-F336 HydrophobicContact CD1-CB 3.99Å; L330-F336 HydrophobicContact CD1-CD1 3.77Å; L330-F336 HydrophobicContact CD1-CD2 4.07Å; L330-F336 HydrophobicContact CD1-CE1 4.29Å; L330-F336 HydrophobicContact CD1-CG 3.65Å; L330-A355 HydrophobicContact CB-CB 3.91Å; L330-A355 HydrophobicContact CD1-CB 4.47Å; L330-Y480 WeakPolarHBondContact CD2-OH 3.4Å
331	H	95.1	Very high	96	Very high	94 Å²	94	33.7 Å²	33.7	44%	0.435	17%	0.173	S	C	.	.			trans	-75.1	146.8	175.5	-168.1	-93	0	0	0	110.2	D329 D333 D334 A355	D329-H331 PolarHBondContact O-N 3.16Å; H331-D333 IonicContact CE1-OD2 3.23Å; H331-D333 PolarHBondContact CE1-OD2 3.23Å; H331-D333 VanDerWaalsContact CE1-OD2 3.29Å; H331-D333 PolarHBondContact ND1-N 2.84Å; H331-D333 IonicContact ND1-OD2 2.74Å; H331-D333 PolarHBondContact ND1-OD2 2.89Å; H331-D333 PolarHBondContact O-N 2.73Å; H331-D334 PolarHBondContact N-OD2 2.8Å; H331-D334 VanDerWaalsContact O-CB 3.27Å; H331-D334 WeakPolarHBondContact O-CB 3.47Å; H331-D334 PolarHBondContact O-N 2.91Å; H331-A355 WeakPolarHBondContact O-CB 3.49Å
332	E	94.9	Very high	96	Very high	105 Å²	105	29.2 Å²	29.2	49%	0.491	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.4	-174.4	-67	-171.6	169.3	0	0	113.9	K354 K357	E332-K354 WeakPolarHBondContact O-CE 3.41Å; E332-K354 VanDerWaalsContact O-CG 3.31Å; E332-K354 WeakPolarHBondContact O-CG 3.43Å; E332-K357 WeakPolarHBondContact OE1-CE 3.47Å
333	D	94.1	Very high	95.9	Very high	69 Å²	69	32.2 Å²	32.2	37%	0.369	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.6	177.1	-65.5	-44.2	0	0	0	114.8	P298 H331 H335 K354	P298-D333 HydrophobicContact CB-CB 4.43Å; P298-D333 HydrophobicContact CG-CB 4.35Å; H331-D333 IonicContact CE1-OD2 3.23Å; H331-D333 PolarHBondContact CE1-OD2 3.23Å; H331-D333 VanDerWaalsContact CE1-OD2 3.29Å; H331-D333 PolarHBondContact ND1-N 2.84Å; H331-D333 IonicContact ND1-OD2 2.74Å; H331-D333 PolarHBondContact ND1-OD2 2.89Å; H331-D333 PolarHBondContact O-N 2.73Å; D333-H335 PolarHBondContact O-ND1 3.11Å; D333-K354 IonicContact OD1-NZ 3.32Å; D333-K354 PolarHBondContact OD1-NZ 3.44Å
334	D	97	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	-74.4	153.4	176.9	-65	-19.2	0	0	0	111.2	R296 K299 L330 H331 K354 A355	R296-D334 IonicContact CZ-OD1 2.66Å; R296-D334 IonicContact CZ-OD2 3.38Å; R296-D334 IonicContact NH1-OD1 2.9Å; R296-D334 PolarHBondContact NH1-OD1 2.86Å; R296-D334 IonicContact NH1-OD2 3.98Å; R296-D334 IonicContact NH2-OD1 3.8Å; R296-D334 PolarHBondContact NH2-OD1 3.27Å; R296-D334 IonicContact NH2-OD2 2.69Å; R296-D334 PolarHBondContact NH2-OD2 3.37Å; K299-D334 HydrophobicContact CG-CB 4.36Å; K299-D334 PolarHBondContact N-OD1 2.94Å; K299-D334 VanDerWaalsContact N-OD1 3.08Å; K299-D334 IonicContact NZ-OD2 3.3Å; K299-D334 PolarHBondContact NZ-OD2 3.14Å; K299-D334 WeakPolarHBondContact O-CA 3.46Å; K299-D334 WeakPolarHBondContact O-CB 3.45Å; L330-D334 HydrophobicContact CD2-CB 4.3Å; H331-D334 PolarHBondContact N-OD2 2.8Å; H331-D334 VanDerWaalsContact O-CB 3.27Å; H331-D334 WeakPolarHBondContact O-CB 3.47Å; H331-D334 PolarHBondContact O-N 2.91Å; D334-K354 WeakPolarHBondContact O-CA 3.25Å; D334-A355 HydrophobicContact CB-CB 4.33Å; D334-A355 WeakPolarHBondContact O-CB 3.36Å; D334-A355 PolarHBondContact O-N 3.06Å
335	H	98.1	Very high	95.7	Very high	24 Å²	24	34.9 Å²	34.9	11%	0.111	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.3	167.3	-65.7	62	0	0	0	108.9	K299 N300 V301 D333 L352 T353 L398	K299-H335 PolarHBondContact O-N 2.87Å; N300-H335 CarbonylContact C-O 3.51Å; N300-H335 VanDerWaalsContact CA-O 3.24Å; N300-H335 WeakPolarHBondContact CA-O 3.5Å; V301-H335 PolarHBondContact N-O 3.45Å; D333-H335 PolarHBondContact O-ND1 3.11Å; H335-L352 HydrophobicContact CB-CB 4.18Å; H335-L352 HydrophobicContact CB-CD2 4.18Å; H335-T353 CarbonylContact C-O 3.54Å; H335-T353 WeakPolarHBondContact CA-O 3.29Å; H335-L398 HydrophobicContact CB-CD2 3.95Å
336	F	98.4	Very high	95.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	-177.8	76.4	-76.1	0	0	0	113.2	V301 F303 L327 L330 W348 L352 T353 A355 V360 A363	V301-F336 HydrophobicContact CG1-CB 3.82Å; V301-F336 CarbonylContact O-C 3.59Å; V301-F336 WeakPolarHBondContact O-CA 3.18Å; F303-F336 HydrophobicContact CE2-CB 4.33Å; L327-F336 HydrophobicContact CD2-CD2 3.71Å; L327-F336 HydrophobicContact CD2-CE2 3.56Å; L327-F336 HydrophobicContact CD2-CZ 4.32Å; L330-F336 HydrophobicContact CD1-CB 3.99Å; L330-F336 HydrophobicContact CD1-CD1 3.77Å; L330-F336 HydrophobicContact CD1-CD2 4.07Å; L330-F336 HydrophobicContact CD1-CE1 4.29Å; L330-F336 HydrophobicContact CD1-CG 3.65Å; F336-W348 HydrophobicContact CD2-CZ3 4.37Å; F336-W348 HydrophobicContact CE1-CZ3 4.38Å; F336-W348 HydrophobicContact CE2-CE3 4.07Å; F336-W348 HydrophobicContact CE2-CH2 4.24Å; F336-W348 AromaticContact CE2-CZ3 3.46Å; F336-W348 HydrophobicContact CE2-CZ3 3.46Å; F336-W348 VanDerWaalsContact CE2-CZ3 3.46Å; F336-W348 HydrophobicContact CZ-CE3 4.49Å; F336-W348 AromaticContact CZ-CH2 3.86Å; F336-W348 HydrophobicContact CZ-CH2 3.86Å; F336-W348 AromaticContact CZ-CZ3 3.47Å; F336-W348 HydrophobicContact CZ-CZ3 3.47Å; F336-W348 VanDerWaalsContact CZ-CZ3 3.47Å; F336-L352 WeakPolarHBondContact O-CA 3.23Å; F336-T353 VanDerWaalsContact CD1-O 3.27Å; F336-T353 WeakPolarHBondContact CD1-O 3.4Å; F336-T353 PolarHBondContact N-O 2.79Å; F336-T353 PolarHBondContact O-N 2.86Å; F336-A355 HydrophobicContact CD1-CB 4.04Å; F336-A355 HydrophobicContact CE1-CB 4.2Å; F336-V360 HydrophobicContact CE1-CG2 4.35Å; F336-A363 HydrophobicContact CE2-CB 3.42Å; F336-A363 VanDerWaalsContact CE2-CB 3.42Å; F336-A363 HydrophobicContact CZ-CB 3.59Å
337	A	98.3	Very high	95.8	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	155.7	168.7	0	0	0	0	0	110.7	V301 V302 F303 L352 M388	V301-A337 PolarHBondContact O-N 2.84Å; V302-A337 HydrophobicContact CG1-CB 4.35Å; V302-A337 HydrophobicContact CG2-CB 4.29Å; F303-A337 PolarHBondContact N-O 2.99Å; A337-L352 HydrophobicContact CB-CG 4.18Å; A337-M388 HydrophobicContact CB-SD 3.46Å; A337-M388 WeakPolarHBondContact CB-SD 3.48Å
338	L	98.4	Very high	95.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	174.1	-61.6	177.6	0	0	0	108.6	F303 L323 L327 S347 W348 A363 Y366	F303-L338 HydrophobicContact CB-CD2 3.72Å; F303-L338 HydrophobicContact CD2-CD2 3.73Å; F303-L338 HydrophobicContact CG-CD2 4.05Å; L323-L338 HydrophobicContact CD1-CD2 3.98Å; L323-L338 HydrophobicContact CD2-CD2 4.17Å; L323-L338 HydrophobicContact CG-CD2 4.47Å; L327-L338 HydrophobicContact CD1-CD1 4.24Å; L327-L338 HydrophobicContact CD2-CD2 4.37Å; L338-S347 WeakPolarHBondContact O-CA 3.4Å; L338-W348 HydrophobicContact CB-CB 4Å; L338-W348 PolarHBondContact O-N 2.81Å; L338-A363 HydrophobicContact CD1-CB 4.06Å; L338-Y366 HydrophobicContact CB-CD1 4.21Å; L338-Y366 HydrophobicContact CB-CE1 4.13Å; L338-Y366 HydrophobicContact CD1-CD1 3.84Å
339	I	98.3	Very high	96	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.5	170.1	-62.5	-179.9	0	0	0	106.6	V302 F303 V304 I305 I345 D384 M388	V302-I339 HydrophobicContact CG1-CD1 3.67Å; V302-I339 HydrophobicContact CG1-CG1 3.93Å; F303-I339 PolarHBondContact O-N 2.91Å; V304-I339 CarbonylContact C-O 3.6Å; V304-I339 WeakPolarHBondContact CA-O 3.1Å; V304-I339 HydrophobicContact CG2-CB 4.39Å; I305-I339 PolarHBondContact N-O 3.23Å; I339-I345 HydrophobicContact CG2-CG2 3.46Å; I339-I345 VanDerWaalsContact CG2-CG2 3.46Å; I339-D384 HydrophobicContact CD1-CB 4.32Å; I339-M388 HydrophobicContact CD1-CE 4.11Å; I339-M388 HydrophobicContact CG1-CE 4.29Å
340	Q	96.9	Very high	96	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.2	167.8	62.2	-179.5	-29.8	0	0	108.7	I305 R307 L346 Y366	I305-Q340 CarbonylContact O-C 3.02Å; I305-Q340 VanDerWaalsContact O-CA 3.27Å; I305-Q340 WeakPolarHBondContact O-CA 3.17Å; R307-Q340 HydrophobicContact CG-CB 4.35Å; Q340-L346 HydrophobicContact CG-CB 3.87Å; Q340-L346 WeakPolarHBondContact CG-O 3.49Å; Q340-L346 PolarHBondContact N-O 3.39Å; Q340-L346 PolarHBondContact O-N 3.26Å; Q340-Y366 PolarHBondContact NE2-OH 2.77Å
341	F	97.3	Very high	96	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.8	-176.5	73.6	-83.9	0	0	0	113.3	V304 I305 D306 R307 A344 I345 T376 I378 A381 L408	V304-F341 HydrophobicContact CG1-CD1 3.6Å; V304-F341 HydrophobicContact CG1-CE1 3.72Å; I305-F341 VanDerWaalsContact C-CD1 3.46Å; I305-F341 VanDerWaalsContact C-CE1 3.45Å; I305-F341 VanDerWaalsContact O-CD1 3.3Å; I305-F341 WeakPolarHBondContact O-CD1 3.46Å; I305-F341 PolarHBondContact O-N 2.83Å; D306-F341 HydrophobicContact CB-CE1 3.74Å; D306-F341 HydrophobicContact CB-CE2 4.17Å; D306-F341 HydrophobicContact CB-CZ 3.52Å; R307-F341 WeakPolarHBondContact CG-O 3.41Å; R307-F341 PolarHBondContact N-O 3.22Å; F341-A344 WeakPolarHBondContact CA-O 3.24Å; F341-I345 HydrophobicContact CB-CD1 3.46Å; F341-I345 VanDerWaalsContact CB-CD1 3.46Å; F341-T376 HydrophobicContact CE2-CG2 3.78Å; F341-I378 HydrophobicContact CE2-CG1 3.87Å; F341-I378 HydrophobicContact CZ-CG1 4.15Å; F341-A381 HydrophobicContact CB-CB 3.56Å; F341-A381 HydrophobicContact CD1-CB 3.67Å; F341-A381 HydrophobicContact CD2-CB 3.86Å; F341-A381 HydrophobicContact CE1-CB 4.3Å; F341-A381 HydrophobicContact CE2-CB 4.46Å; F341-A381 HydrophobicContact CG-CB 3.42Å; F341-A381 VanDerWaalsContact CG-CB 3.42Å; F341-L408 HydrophobicContact CE1-CD1 3.64Å; F341-L408 HydrophobicContact CZ-CD1 3.81Å
342	D	94.9	Very high	96.2	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-137.4	-114.4	164.5	51.9	24.6	0	0	0	109.7	R307 A344 N373 A375 D377	R307-D342 HydrophobicContact CG-CB 4.11Å; R307-D342 IonicContact CZ-OD1 3.53Å; R307-D342 IonicContact CZ-OD2 2.93Å; R307-D342 VanDerWaalsContact NE-CG 3.29Å; R307-D342 IonicContact NE-OD1 2.66Å; R307-D342 IonicContact NE-OD2 2.72Å; R307-D342 PolarHBondContact NE-OD2 2.63Å; R307-D342 IonicContact NH2-OD1 2.9Å; R307-D342 PolarHBondContact NH2-OD1 2.91Å; R307-D342 IonicContact NH2-OD2 2.98Å; R307-D342 PolarHBondContact NH2-OD2 3.13Å; D342-A344 VanDerWaalsContact C-N 3.29Å; D342-A344 PolarHBondContact N-O 2.99Å; D342-A344 PolarHBondContact OD1-N 2.77Å; D342-A344 VanDerWaalsContact OD1-O 3.14Å; D342-N373 WeakPolarHBondContact CB-O 3.48Å; D342-A375 CarbonylContact C-O 3.49Å; D342-A375 WeakPolarHBondContact CA-O 3.48Å; D342-A375 WeakPolarHBondContact CB-O 3.45Å; D342-D377 WeakPolarHBondContact O-CB 3.47Å; D342-D377 PolarHBondContact O-N 3.37Å
343	S	91.8	Very high	96.3	Very high	64 Å²	64	35.1 Å²	35.1	45%	0.448	19%	0.194	S	C	.	.	S	Bend	trans	-78	-15.2	162	-56.5	0	0	0	0	112.8	A375	S343-A375 PolarHBondContact N-O 3.18Å; S343-A375 WeakPolarHBondContact OG-CB 3.31Å; S343-A375 PolarHBondContact OG-N 3.18Å; S343-A375 VanDerWaalsContact OG-N 3.11Å
344	A	92.6	Very high	96.4	Very high	44 Å²	44	36 Å²	36	36%	0.364	19%	0.194	S	C	.	.	S	Bend	trans	-125.3	147.5	176.5	0	0	0	0	0	109.7	F341 D342	F341-A344 WeakPolarHBondContact CA-O 3.24Å; D342-A344 VanDerWaalsContact C-N 3.29Å; D342-A344 PolarHBondContact N-O 2.99Å; D342-A344 PolarHBondContact OD1-N 2.77Å; D342-A344 VanDerWaalsContact OD1-O 3.14Å
345	I	95.3	Very high	96.5	Very high	39 Å²	39	36.2 Å²	36.2	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.2	177.8	-46.2	-54.8	0	0	0	108.3	I339 F341 Q380 A381 D384	I339-I345 HydrophobicContact CG2-CG2 3.46Å; I339-I345 VanDerWaalsContact CG2-CG2 3.46Å; F341-I345 HydrophobicContact CB-CD1 3.46Å; F341-I345 VanDerWaalsContact CB-CD1 3.46Å; I345-Q380 HydrophobicContact CD1-CB 4.29Å; I345-Q380 HydrophobicContact CG1-CB 4.12Å; I345-Q380 HydrophobicContact CG1-CG 3.9Å; I345-A381 HydrophobicContact CD1-CB 3.78Å; I345-D384 HydrophobicContact CG2-CB 4.29Å; I345-D384 VanDerWaalsContact CG2-OD2 3.3Å; I345-D384 WeakPolarHBondContact CG2-OD2 3.38Å
346	L	96	Very high	96.4	Very high	75 Å²	75	37 Å²	37	39%	0.393	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.2	178.8	-57.9	-176	0	0	0	110.4	Q340 Y366	Q340-L346 HydrophobicContact CG-CB 3.87Å; Q340-L346 WeakPolarHBondContact CG-O 3.49Å; Q340-L346 PolarHBondContact N-O 3.39Å; Q340-L346 PolarHBondContact O-N 3.26Å; L346-Y366 PolarHBondContact O-OH 2.81Å
347	S	96.6	Very high	96.4	Very high	54 Å²	54	44.2 Å²	44.2	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.4	172.4	58.8	0	0	0	0	111.5	L338 K349	L338-S347 WeakPolarHBondContact O-CA 3.4Å; S347-K349 WeakPolarHBondContact CB-O 3.29Å; S347-K349 PolarHBondContact OG-O 2.72Å
348	W	96.7	Very high	96.3	Very high	40 Å²	40	50 Å²	50	15%	0.152	26%	0.26	C	S	.	.	S	Bend	trans	-64.9	-43	172	170.2	43.6	0	0	0	111.9	F336 L338 N359 E362 A363 Y366	F336-W348 HydrophobicContact CD2-CZ3 4.37Å; F336-W348 HydrophobicContact CE1-CZ3 4.38Å; F336-W348 HydrophobicContact CE2-CE3 4.07Å; F336-W348 HydrophobicContact CE2-CH2 4.24Å; F336-W348 AromaticContact CE2-CZ3 3.46Å; F336-W348 HydrophobicContact CE2-CZ3 3.46Å; F336-W348 VanDerWaalsContact CE2-CZ3 3.46Å; F336-W348 HydrophobicContact CZ-CE3 4.49Å; F336-W348 AromaticContact CZ-CH2 3.86Å; F336-W348 HydrophobicContact CZ-CH2 3.86Å; F336-W348 AromaticContact CZ-CZ3 3.47Å; F336-W348 HydrophobicContact CZ-CZ3 3.47Å; F336-W348 VanDerWaalsContact CZ-CZ3 3.47Å; L338-W348 HydrophobicContact CB-CB 4Å; L338-W348 PolarHBondContact O-N 2.81Å; W348-N359 HydrophobicContact CH2-CB 4.32Å; W348-N359 VanDerWaalsContact CH2-O 3.26Å; W348-N359 WeakPolarHBondContact CH2-O 3.18Å; W348-E362 HydrophobicContact CH2-CB 4.49Å; W348-E362 HydrophobicContact CZ2-CB 3.61Å; W348-A363 HydrophobicContact CD2-CB 4.35Å; W348-A363 HydrophobicContact CE3-CB 4.09Å; W348-A363 HydrophobicContact CH2-CB 3.74Å; W348-A363 HydrophobicContact CZ2-CB 4Å; W348-A363 HydrophobicContact CZ3-CB 3.79Å; W348-Y366 HydrophobicContact CB-CD1 3.64Å; W348-Y366 HydrophobicContact CB-CD2 4.17Å; W348-Y366 HydrophobicContact CB-CE1 3.6Å; W348-Y366 HydrophobicContact CB-CE2 4.14Å; W348-Y366 HydrophobicContact CB-CG 3.91Å; W348-Y366 AromaticContact CD1-CD2 3.58Å; W348-Y366 AromaticContact CD1-CG 3.49Å; W348-Y366 VanDerWaalsContact CD1-CG 3.49Å; W348-Y366 AromaticContact CG-CD1 3.98Å; W348-Y366 HydrophobicContact CG-CD1 3.98Å; W348-Y366 HydrophobicContact CG-CD2 4.16Å; W348-Y366 HydrophobicContact CG-CE1 4.4Å; W348-Y366 AromaticContact CG-CG 3.82Å; W348-Y366 HydrophobicContact CG-CG 3.82Å; W348-Y366 PolarHBondContact N-OH 3.41Å
349	K	96.6	Very high	96.3	Very high	61 Å²	61	51.5 Å²	51.5	27%	0.265	27%	0.268	S	S	.	.	S	Bend	trans	-139.4	156.7	176.5	-71.3	-179.3	176	171.4	0	108.6	S347 S351 T353 N359 E362	S347-K349 WeakPolarHBondContact CB-O 3.29Å; S347-K349 PolarHBondContact OG-O 2.72Å; K349-S351 PolarHBondContact O-N 3.48Å; K349-T353 WeakPolarHBondContact CD-OG1 2.9Å; K349-N359 PolarHBondContact NZ-OD1 3Å; K349-N359 VanDerWaalsContact NZ-OD1 3.17Å; K349-E362 IonicContact NZ-OE2 2.59Å; K349-E362 PolarHBondContact NZ-OE2 3.4Å
350	E	93.9	Very high	96.3	Very high	173 Å²	173	52 Å²	52	81%	0.808	27%	0.271	S	S	*	.	S	Bend	trans	-70.6	-19.9	-179.3	-65.3	-174.4	170.6	0	0	113.5	R391	E350-R391 PolarHBondContact O-NH2 2.73Å
351	S	95.6	Very high	96.3	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	29%	0.287	S	S	.	.	S	Bend	trans	-134.4	159.1	-177.8	62.9	0	0	0	0	112.5	K349 T353 D392	K349-S351 PolarHBondContact O-N 3.48Å; S351-T353 PolarHBondContact O-OG1 2.89Å; S351-D392 VanDerWaalsContact CA-OD2 3.23Å; S351-D392 WeakPolarHBondContact CA-OD2 3.48Å; S351-D392 WeakPolarHBondContact CB-OD2 3.3Å
352	L	97.8	Very high	96.4	Very high	13 Å²	13	58.2 Å²	58.2	7%	0.068	31%	0.308	C	S	.	.			trans	-59	142.7	169.2	-75.8	95.2	0	0	0	110.6	N300 V302 H335 F336 A337 M388 L389 D392 L398	N300-L352 HydrophobicContact CB-CD2 3.78Å; V302-L352 HydrophobicContact CG2-CD1 4.46Å; V302-L352 HydrophobicContact CG2-CD2 4.44Å; H335-L352 HydrophobicContact CB-CB 4.18Å; H335-L352 HydrophobicContact CB-CD2 4.18Å; F336-L352 WeakPolarHBondContact O-CA 3.23Å; A337-L352 HydrophobicContact CB-CG 4.18Å; L352-M388 HydrophobicContact CD1-CG 3.82Å; L352-M388 HydrophobicContact CD1-SD 4.17Å; L352-L389 HydrophobicContact CD1-CD2 3.98Å; L352-L389 HydrophobicContact CD1-CG 4.35Å; L352-L389 HydrophobicContact CD2-CD2 3.67Å; L352-L389 HydrophobicContact CG-CD2 4.47Å; L352-D392 HydrophobicContact CD1-CB 4.17Å; L352-D392 WeakPolarHBondContact CD1-OD2 3.49Å; L352-D392 PolarHBondContact N-OD2 2.97Å; L352-L398 HydrophobicContact CB-CD2 3.97Å; L352-L398 HydrophobicContact CD2-CD2 4.17Å; L352-L398 HydrophobicContact CG-CD2 4.49Å
353	T	97	Very high	96.5	Very high	18 Å²	18	57.9 Å²	57.9	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.2	-174.2	-59.1	0	0	0	0	109.7	H335 F336 K349 S351 N359	H335-T353 CarbonylContact C-O 3.54Å; H335-T353 WeakPolarHBondContact CA-O 3.29Å; F336-T353 VanDerWaalsContact CD1-O 3.27Å; F336-T353 WeakPolarHBondContact CD1-O 3.4Å; F336-T353 PolarHBondContact N-O 2.79Å; F336-T353 PolarHBondContact O-N 2.86Å; K349-T353 WeakPolarHBondContact CD-OG1 2.9Å; S351-T353 PolarHBondContact O-OG1 2.89Å; T353-N359 HydrophobicContact CG2-CB 3.77Å; T353-N359 WeakPolarHBondContact CG2-ND2 3.42Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.25Å
354	K	97.8	Very high	96.8	Very high	88 Å²	88	56.3 Å²	56.3	38%	0.383	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.7	175.8	-171.4	167.9	-177.4	168.6	0	110.4	E332 D333 D334 T356 N359	E332-K354 WeakPolarHBondContact O-CE 3.41Å; E332-K354 VanDerWaalsContact O-CG 3.31Å; E332-K354 WeakPolarHBondContact O-CG 3.43Å; D333-K354 IonicContact OD1-NZ 3.32Å; D333-K354 PolarHBondContact OD1-NZ 3.44Å; D334-K354 WeakPolarHBondContact O-CA 3.25Å; K354-T356 HydrophobicContact CB-CG2 4.45Å; K354-T356 HydrophobicContact CG-CG2 4.33Å; K354-T356 PolarHBondContact O-N 3.35Å; K354-N359 WeakPolarHBondContact O-CB 3.42Å; K354-N359 PolarHBondContact O-ND2 3.44Å
355	A	97.5	Very high	97	Very high	3 Å²	3	58.9 Å²	58.9	3%	0.025	30%	0.3	C	S	.	.			trans	-73.7	53	-177.1	0	0	0	0	0	113.7	L330 H331 D334 F336 V360	L330-A355 HydrophobicContact CB-CB 3.91Å; L330-A355 HydrophobicContact CD1-CB 4.47Å; H331-A355 WeakPolarHBondContact O-CB 3.49Å; D334-A355 HydrophobicContact CB-CB 4.33Å; D334-A355 WeakPolarHBondContact O-CB 3.36Å; D334-A355 PolarHBondContact O-N 3.06Å; F336-A355 HydrophobicContact CD1-CB 4.04Å; F336-A355 HydrophobicContact CE1-CB 4.2Å; A355-V360 HydrophobicContact CB-CG2 4.24Å
356	T	97.8	Very high	97.1	Very high	41 Å²	41	58.9 Å²	58.9	25%	0.252	30%	0.297	S	S	.	.			trans	-71.7	156.2	169.5	80.3	0	0	0	0	110.3	K354 E358 N359 V360	K354-T356 HydrophobicContact CB-CG2 4.45Å; K354-T356 HydrophobicContact CG-CG2 4.33Å; K354-T356 PolarHBondContact O-N 3.35Å; T356-E358 WeakPolarHBondContact CB-OE2 3.23Å; T356-E358 PolarHBondContact O-N 3.3Å; T356-E358 VanDerWaalsContact O-N 3.15Å; T356-E358 PolarHBondContact OG1-OE2 2.89Å; T356-N359 PolarHBondContact O-N 2.8Å; T356-N359 VanDerWaalsContact O-N 3.08Å; T356-N359 PolarHBondContact OG1-N 2.83Å; T356-N359 PolarHBondContact OG1-ND2 2.75Å; T356-V360 WeakPolarHBondContact O-CG2 3.37Å; T356-V360 PolarHBondContact O-N 3.26Å
357	K	96.6	Very high	97.1	Very high	152 Å²	152	55.3 Å²	55.3	66%	0.661	28%	0.279	S	S	*	.	H	α-helix	trans	-54.4	-36.9	-179.8	-67.1	178.2	-177.7	172.4	0	112.8	E332 A361	E332-K357 WeakPolarHBondContact OE1-CE 3.47Å; K357-A361 WeakPolarHBondContact O-CB 2.96Å; K357-A361 PolarHBondContact O-N 3.37Å
358	E	97.6	Very high	97.1	Very high	125 Å²	125	59 Å²	59	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-68.3	-48.5	177.7	-57.7	71.9	-154.3	0	0	111.4	T356 V360 A361 E362	T356-E358 WeakPolarHBondContact CB-OE2 3.23Å; T356-E358 PolarHBondContact O-N 3.3Å; T356-E358 VanDerWaalsContact O-N 3.15Å; T356-E358 PolarHBondContact OG1-OE2 2.89Å; E358-V360 VanDerWaalsContact C-N 3.35Å; E358-V360 PolarHBondContact O-N 2.92Å; E358-A361 PolarHBondContact O-N 3.27Å; E358-E362 PolarHBondContact O-N 3.4Å
359	N	97.8	Very high	97	Very high	33 Å²	33	60.3 Å²	60.3	18%	0.176	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-39.2	179.3	-74.6	-42.5	0	0	0	111.8	W348 K349 T353 K354 T356 E362 A363	W348-N359 HydrophobicContact CH2-CB 4.32Å; W348-N359 VanDerWaalsContact CH2-O 3.26Å; W348-N359 WeakPolarHBondContact CH2-O 3.18Å; K349-N359 PolarHBondContact NZ-OD1 3Å; K349-N359 VanDerWaalsContact NZ-OD1 3.17Å; T353-N359 HydrophobicContact CG2-CB 3.77Å; T353-N359 WeakPolarHBondContact CG2-ND2 3.42Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.25Å; K354-N359 WeakPolarHBondContact O-CB 3.42Å; K354-N359 PolarHBondContact O-ND2 3.44Å; T356-N359 PolarHBondContact O-N 2.8Å; T356-N359 VanDerWaalsContact O-N 3.08Å; T356-N359 PolarHBondContact OG1-N 2.83Å; T356-N359 PolarHBondContact OG1-ND2 2.75Å; N359-E362 PolarHBondContact O-N 2.75Å; N359-A363 WeakPolarHBondContact O-CB 3.28Å; N359-A363 PolarHBondContact O-N 2.85Å
360	V	97.9	Very high	97	Very high	14 Å²	14	57.6 Å²	57.6	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-43.5	174.3	169.2	0	0	0	0	110.7	L327 F336 A355 T356 E358 E362 A363 K364	L327-V360 HydrophobicContact CB-CG1 4.41Å; L327-V360 WeakPolarHBondContact O-CG1 3.34Å; F336-V360 HydrophobicContact CE1-CG2 4.35Å; A355-V360 HydrophobicContact CB-CG2 4.24Å; T356-V360 WeakPolarHBondContact O-CG2 3.37Å; T356-V360 PolarHBondContact O-N 3.26Å; E358-V360 VanDerWaalsContact C-N 3.35Å; E358-V360 PolarHBondContact O-N 2.92Å; V360-E362 PolarHBondContact O-N 3.45Å; V360-A363 PolarHBondContact O-N 2.91Å; V360-K364 HydrophobicContact CG1-CD 3.91Å; V360-K364 HydrophobicContact CG1-CG 4.47Å; V360-K364 WeakPolarHBondContact O-CB 3.44Å; V360-K364 VanDerWaalsContact O-CG 3.29Å; V360-K364 WeakPolarHBondContact O-CG 3.41Å; V360-K364 PolarHBondContact O-N 3.48Å
361	A	97.7	Very high	96.9	Very high	48 Å²	48	58.8 Å²	58.8	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-42.2	176.8	0	0	0	0	0	112.6	K357 E358 K364 N365	K357-A361 WeakPolarHBondContact O-CB 2.96Å; K357-A361 PolarHBondContact O-N 3.37Å; E358-A361 PolarHBondContact O-N 3.27Å; A361-K364 PolarHBondContact O-N 3.02Å; A361-N365 PolarHBondContact O-N 2.87Å; A361-N365 PolarHBondContact O-ND2 2.97Å
362	E	98.1	Very high	96.7	Very high	95 Å²	95	60 Å²	60	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-45.7	173.8	-73.4	-179.4	-177.2	0	0	111.9	W348 K349 E358 N359 V360 K364 N365 Y366	W348-E362 HydrophobicContact CH2-CB 4.49Å; W348-E362 HydrophobicContact CZ2-CB 3.61Å; K349-E362 IonicContact NZ-OE2 2.59Å; K349-E362 PolarHBondContact NZ-OE2 3.4Å; E358-E362 PolarHBondContact O-N 3.4Å; N359-E362 PolarHBondContact O-N 2.75Å; V360-E362 PolarHBondContact O-N 3.45Å; E362-K364 VanDerWaalsContact C-N 3.34Å; E362-K364 PolarHBondContact O-N 3.5Å; E362-N365 WeakPolarHBondContact O-CB 3.2Å; E362-N365 PolarHBondContact O-N 3.12Å; E362-N365 VanDerWaalsContact O-N 3.15Å; E362-Y366 PolarHBondContact O-N 2.75Å
363	A	97.8	Very high	96.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-39.6	178.3	0	0	0	0	0	112.4	L327 F336 L338 W348 N359 V360 N365 Y366 A367	L327-A363 HydrophobicContact CD1-CB 4.01Å; L327-A363 HydrophobicContact CD2-CB 4.29Å; F336-A363 HydrophobicContact CE2-CB 3.42Å; F336-A363 VanDerWaalsContact CE2-CB 3.42Å; F336-A363 HydrophobicContact CZ-CB 3.59Å; L338-A363 HydrophobicContact CD1-CB 4.06Å; W348-A363 HydrophobicContact CD2-CB 4.35Å; W348-A363 HydrophobicContact CE3-CB 4.09Å; W348-A363 HydrophobicContact CH2-CB 3.74Å; W348-A363 HydrophobicContact CZ2-CB 4Å; W348-A363 HydrophobicContact CZ3-CB 3.79Å; N359-A363 WeakPolarHBondContact O-CB 3.28Å; N359-A363 PolarHBondContact O-N 2.85Å; V360-A363 PolarHBondContact O-N 2.91Å; A363-N365 VanDerWaalsContact C-N 3.29Å; A363-N365 PolarHBondContact O-N 3.38Å; A363-Y366 WeakPolarHBondContact O-CB 3.48Å; A363-Y366 PolarHBondContact O-N 3.01Å; A363-Y366 VanDerWaalsContact O-N 3.16Å; A363-A367 WeakPolarHBondContact O-CB 3.36Å; A363-A367 PolarHBondContact O-N 3.43Å
364	K	97.9	Very high	95.7	Very high	30 Å²	30	65.6 Å²	65.6	13%	0.13	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-37.5	174.2	-75.6	168.9	63.8	121.2	0	111.8	V324 L327 E328 V360 A361 E362 R368	V324-K364 HydrophobicContact CG1-CG 4.36Å; V324-K364 HydrophobicContact CG2-CB 4.48Å; V324-K364 HydrophobicContact CG2-CG 4.49Å; V324-K364 PolarHBondContact O-NZ 2.93Å; L327-K364 HydrophobicContact CB-CG 4.05Å; L327-K364 HydrophobicContact CD1-CG 4.01Å; E328-K364 WeakPolarHBondContact OE2-CE 3.29Å; E328-K364 IonicContact OE2-NZ 3.36Å; E328-K364 PolarHBondContact OE2-NZ 3.01Å; V360-K364 HydrophobicContact CG1-CD 3.91Å; V360-K364 HydrophobicContact CG1-CG 4.47Å; V360-K364 WeakPolarHBondContact O-CB 3.44Å; V360-K364 VanDerWaalsContact O-CG 3.29Å; V360-K364 WeakPolarHBondContact O-CG 3.41Å; V360-K364 PolarHBondContact O-N 3.48Å; A361-K364 PolarHBondContact O-N 3.02Å; E362-K364 VanDerWaalsContact C-N 3.34Å; E362-K364 PolarHBondContact O-N 3.5Å; K364-R368 VanDerWaalsContact O-CG 3.28Å; K364-R368 WeakPolarHBondContact O-CG 3.38Å; K364-R368 PolarHBondContact O-N 2.97Å
365	N	97.4	Very high	95.5	Very high	99 Å²	99	62.7 Å²	62.7	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-39.7	174.4	-68.2	-28.5	0	0	0	111.7	A361 E362 A363 R368 S369	A361-N365 PolarHBondContact O-N 2.87Å; A361-N365 PolarHBondContact O-ND2 2.97Å; E362-N365 WeakPolarHBondContact O-CB 3.2Å; E362-N365 PolarHBondContact O-N 3.12Å; E362-N365 VanDerWaalsContact O-N 3.15Å; A363-N365 VanDerWaalsContact C-N 3.29Å; A363-N365 PolarHBondContact O-N 3.38Å; N365-R368 PolarHBondContact O-N 2.68Å; N365-R368 PolarHBondContact OD1-NH1 3.43Å; N365-S369 PolarHBondContact O-N 2.92Å
366	Y	97.2	Very high	95.3	Very high	39 Å²	39	62.7 Å²	62.7	15%	0.153	32%	0.319	C	S	.	.	H	α-helix	trans	-61.9	-47.7	172.7	-177.2	-98.1	0	0	0	111.8	L338 Q340 L346 W348 E362 A363 R368 S369 I370	L338-Y366 HydrophobicContact CB-CD1 4.21Å; L338-Y366 HydrophobicContact CB-CE1 4.13Å; L338-Y366 HydrophobicContact CD1-CD1 3.84Å; Q340-Y366 PolarHBondContact NE2-OH 2.77Å; L346-Y366 PolarHBondContact O-OH 2.81Å; W348-Y366 HydrophobicContact CB-CD1 3.64Å; W348-Y366 HydrophobicContact CB-CD2 4.17Å; W348-Y366 HydrophobicContact CB-CE1 3.6Å; W348-Y366 HydrophobicContact CB-CE2 4.14Å; W348-Y366 HydrophobicContact CB-CG 3.91Å; W348-Y366 AromaticContact CD1-CD2 3.58Å; W348-Y366 AromaticContact CD1-CG 3.49Å; W348-Y366 VanDerWaalsContact CD1-CG 3.49Å; W348-Y366 AromaticContact CG-CD1 3.98Å; W348-Y366 HydrophobicContact CG-CD1 3.98Å; W348-Y366 HydrophobicContact CG-CD2 4.16Å; W348-Y366 HydrophobicContact CG-CE1 4.4Å; W348-Y366 AromaticContact CG-CG 3.82Å; W348-Y366 HydrophobicContact CG-CG 3.82Å; W348-Y366 PolarHBondContact N-OH 3.41Å; E362-Y366 PolarHBondContact O-N 2.75Å; A363-Y366 WeakPolarHBondContact O-CB 3.48Å; A363-Y366 PolarHBondContact O-N 3.01Å; A363-Y366 VanDerWaalsContact O-N 3.16Å; Y366-R368 VanDerWaalsContact C-N 3.34Å; Y366-R368 PolarHBondContact O-N 3.49Å; Y366-S369 WeakPolarHBondContact O-CA 3.36Å; Y366-S369 WeakPolarHBondContact O-CB 3.3Å; Y366-S369 PolarHBondContact O-N 3.29Å; Y366-S369 PolarHBondContact O-OG 2.62Å; Y366-I370 PolarHBondContact O-N 2.79Å
367	A	96.2	Very high	95.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56	-44.7	176.8	0	0	0	0	0	112.3	R320 L323 V324 L327 A363 S369 I370	R320-A367 WeakPolarHBondContact CD-O 3.49Å; R320-A367 WeakPolarHBondContact CG-O 3.36Å; L323-A367 HydrophobicContact CD2-CB 3.69Å; L323-A367 HydrophobicContact CG-CB 4.07Å; V324-A367 HydrophobicContact CG2-CB 4.26Å; L327-A367 HydrophobicContact CD1-CB 4.26Å; A363-A367 WeakPolarHBondContact O-CB 3.36Å; A363-A367 PolarHBondContact O-N 3.43Å; A367-S369 PolarHBondContact O-N 2.75Å; A367-I370 WeakPolarHBondContact O-CB 3.37Å; A367-I370 WeakPolarHBondContact O-CG1 3.47Å; A367-I370 PolarHBondContact O-N 2.86Å
368	R	96.4	Very high	95.2	Very high	131 Å²	131	54.4 Å²	54.4	49%	0.494	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-25.8	175.8	-72.5	172.9	-171.9	136.1	-1.5	113.5	V324 K364 N365 Y366	V324-R368 HydrophobicContact CG2-CG 4.07Å; K364-R368 VanDerWaalsContact O-CG 3.28Å; K364-R368 WeakPolarHBondContact O-CG 3.38Å; K364-R368 PolarHBondContact O-N 2.97Å; N365-R368 PolarHBondContact O-N 2.68Å; N365-R368 PolarHBondContact OD1-NH1 3.43Å; Y366-R368 VanDerWaalsContact C-N 3.34Å; Y366-R368 PolarHBondContact O-N 3.49Å
369	S	95.3	Very high	95.2	Very high	68 Å²	68	48.7 Å²	48.7	48%	0.476	25%	0.254	S	S	.	.	H	α-helix	trans	-85.2	-7.8	-178.6	79	0	0	0	0	114.2	N365 Y366 A367 R371	N365-S369 PolarHBondContact O-N 2.92Å; Y366-S369 WeakPolarHBondContact O-CA 3.36Å; Y366-S369 WeakPolarHBondContact O-CB 3.3Å; Y366-S369 PolarHBondContact O-N 3.29Å; Y366-S369 PolarHBondContact O-OG 2.62Å; A367-S369 PolarHBondContact O-N 2.75Å; S369-R371 PolarHBondContact O-N 3.42Å
370	I	94.9	Very high	95.2	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	26%	0.263	C	S	.	.			trans	-60.1	128.6	178	-60.3	173.4	0	0	0	109.3	R307 M316 R320 L323 Y366 A367	R307-I370 HydrophobicContact CB-CG2 3.9Å; M316-I370 HydrophobicContact CE-CG2 3.86Å; M316-I370 HydrophobicContact SD-CB 4.29Å; M316-I370 HydrophobicContact SD-CG2 3.65Å; R320-I370 PolarHBondContact NH1-O 2.94Å; L323-I370 HydrophobicContact CD2-CD1 4.18Å; Y366-I370 PolarHBondContact O-N 2.79Å; A367-I370 WeakPolarHBondContact O-CB 3.37Å; A367-I370 WeakPolarHBondContact O-CG1 3.47Å; A367-I370 PolarHBondContact O-N 2.86Å
371	R	92.4	Very high	95.2	Very high	198 Å²	198	50.1 Å²	50.1	75%	0.747	26%	0.259	S	S	*	.			trans	-124.6	138.5	178	-65.9	-174.9	-178.5	-164.7	-0.9	109.5	R307 S369	R307-R371 WeakPolarHBondContact CD-O 3.43Å; S369-R371 PolarHBondContact O-N 3.42Å
372	D	91.9	Very high	95.2	Very high	63 Å²	63	47.9 Å²	47.9	34%	0.337	24%	0.24	S	C	.	.			trans	-66.6	130.9	173.1	51.4	-70.2	0	0	0	111.3	R307 S312 M316	R307-D372 CarbonylContact O-C 3.41Å; R307-D372 WeakPolarHBondContact O-CA 3.42Å; S312-D372 WeakPolarHBondContact CA-OD2 3.22Å; S312-D372 WeakPolarHBondContact CB-OD2 3.38Å; M316-D372 HydrophobicContact CE-CB 4.36Å
373	N	85.4	Confident	95.3	Very high	110 Å²	110	45.2 Å²	45.2	59%	0.588	23%	0.228	S	C	*	.			trans	-166.3	158.1	176.7	-167.5	23.4	0	0	0	111	R307 S308 D342	R307-N373 PolarHBondContact O-N 3.04Å; S308-N373 VanDerWaalsContact CA-O 3.3Å; S308-N373 WeakPolarHBondContact CA-O 3.2Å; D342-N373 WeakPolarHBondContact CB-O 3.48Å
374	G	88.4	Confident	95.3	Very high	38 Å²	38	47.4 Å²	47.4	39%	0.392	24%	0.24	S	C	.	.	S	Bend	trans	70.5	-165.6	165.4	0	0	0	0	0	116	G309	G309-G374 PolarHBondContact N-O 3.27Å; G309-G374 VanDerWaalsContact N-O 3.11Å
375	A	92.6	Very high	95.3	Very high	27 Å²	27	46 Å²	46	22%	0.223	23%	0.234	C	C	.	.			trans	-95.1	-159.1	-178	0	0	0	0	0	110.7	S308 D342 S343 N415	S308-A375 WeakPolarHBondContact CB-O 3.29Å; D342-A375 CarbonylContact C-O 3.49Å; D342-A375 WeakPolarHBondContact CA-O 3.48Å; D342-A375 WeakPolarHBondContact CB-O 3.45Å; S343-A375 PolarHBondContact N-O 3.18Å; S343-A375 WeakPolarHBondContact OG-CB 3.31Å; S343-A375 PolarHBondContact OG-N 3.18Å; S343-A375 VanDerWaalsContact OG-N 3.11Å; A375-N415 VanDerWaalsContact CB-OD1 3.28Å; A375-N415 WeakPolarHBondContact CB-OD1 3.4Å
376	T	93.8	Very high	95.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	21%	0.21	C	C	.	.			trans	-136.5	103.1	-169.6	-46.2	0	0	0	0	110.3	D306 S308 F341 I378 P414 N415 S416	D306-T376 WeakPolarHBondContact OD2-CG2 2.96Å; S308-T376 WeakPolarHBondContact CB-OG1 3.49Å; S308-T376 PolarHBondContact OG-OG1 3.42Å; F341-T376 HydrophobicContact CE2-CG2 3.78Å; T376-I378 HydrophobicContact CG2-CD1 4.28Å; T376-I378 HydrophobicContact CG2-CG1 3.86Å; T376-P414 WeakPolarHBondContact O-CA 3.43Å; T376-N415 PolarHBondContact N-OD1 3.4Å; T376-N415 PolarHBondContact O-N 2.7Å; T376-S416 PolarHBondContact O-N 2.87Å; T376-S416 VanDerWaalsContact O-N 3.13Å
377	D	96.9	Very high	95.3	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.102	23%	0.23	C	C	.	.			trans	-107	76.6	175.3	-165.9	-21.5	0	0	0	111.6	D342 N379 Q380 A381 G417	D342-D377 WeakPolarHBondContact O-CB 3.47Å; D342-D377 PolarHBondContact O-N 3.37Å; D377-N379 VanDerWaalsContact C-N 3.26Å; D377-N379 PolarHBondContact O-N 2.92Å; D377-N379 PolarHBondContact OD1-N 3.21Å; D377-Q380 WeakPolarHBondContact OD1-CB 3.24Å; D377-Q380 PolarHBondContact OD1-N 3.19Å; D377-A381 WeakPolarHBondContact O-CB 3.25Å; D377-A381 PolarHBondContact O-N 2.95Å; D377-G417 WeakPolarHBondContact OD2-CA 3.2Å
378	I	96.8	Very high	95.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-37.9	179.9	-61.2	177.6	0	0	0	111	F341 T376 A381 V382 L408 T410 P414 F451 M455	F341-I378 HydrophobicContact CE2-CG1 3.87Å; F341-I378 HydrophobicContact CZ-CG1 4.15Å; T376-I378 HydrophobicContact CG2-CD1 4.28Å; T376-I378 HydrophobicContact CG2-CG1 3.86Å; I378-A381 PolarHBondContact O-N 2.81Å; I378-V382 HydrophobicContact CG2-CG2 4.2Å; I378-V382 WeakPolarHBondContact O-CG2 3.3Å; I378-V382 PolarHBondContact O-N 2.86Å; I378-V382 VanDerWaalsContact O-N 3.09Å; I378-L408 HydrophobicContact CG2-CD2 3.82Å; I378-T410 HydrophobicContact CD1-CG2 4.16Å; I378-P414 HydrophobicContact CB-CB 4.44Å; I378-P414 HydrophobicContact CD1-CB 4.26Å; I378-P414 HydrophobicContact CG1-CB 4.36Å; I378-F451 HydrophobicContact CD1-CE1 3.9Å; I378-F451 HydrophobicContact CD1-CZ 4.46Å; I378-F451 HydrophobicContact CG2-CZ 4.38Å; I378-M455 HydrophobicContact CG2-CE 4.46Å
379	N	97.8	Very high	95.5	Very high	6 Å²	6	40 Å²	40	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-56.8	-175.5	-178.7	85	0	0	0	110.9	D377 A381 L383 V418 I424 N427	D377-N379 VanDerWaalsContact C-N 3.26Å; D377-N379 PolarHBondContact O-N 2.92Å; D377-N379 PolarHBondContact OD1-N 3.21Å; N379-A381 VanDerWaalsContact C-N 3.32Å; N379-A381 PolarHBondContact O-N 3.41Å; N379-L383 WeakPolarHBondContact ND2-CD1 3.35Å; N379-L383 WeakPolarHBondContact O-CB 3.33Å; N379-L383 WeakPolarHBondContact O-CG 3.42Å; N379-L383 PolarHBondContact O-N 2.86Å; N379-L383 VanDerWaalsContact O-N 3.13Å; N379-V418 HydrophobicContact CB-CB 3.93Å; N379-V418 HydrophobicContact CB-CG2 4.48Å; N379-I424 HydrophobicContact CB-CG1 4.07Å; N379-I424 HydrophobicContact CB-CG2 4.31Å; N379-N427 PolarHBondContact OD1-ND2 3.25Å
380	Q	97.8	Very high	95.5	Very high	77 Å²	77	40.6 Å²	40.6	36%	0.36	20%	0.204	S	C	.	.	H	α-helix	trans	-66.9	-37.9	-177.2	-166.2	62.1	45.5	0	0	111.3	I345 D377 V382 L383 D384	I345-Q380 HydrophobicContact CD1-CB 4.29Å; I345-Q380 HydrophobicContact CG1-CB 4.12Å; I345-Q380 HydrophobicContact CG1-CG 3.9Å; D377-Q380 WeakPolarHBondContact OD1-CB 3.24Å; D377-Q380 PolarHBondContact OD1-N 3.19Å; Q380-V382 PolarHBondContact O-N 2.81Å; Q380-L383 PolarHBondContact O-N 3.34Å; Q380-D384 PolarHBondContact NE2-OD1 2.87Å; Q380-D384 WeakPolarHBondContact O-CB 3.24Å; Q380-D384 PolarHBondContact O-N 2.63Å
381	A	97.5	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-45.5	180	0	0	0	0	0	113.1	V304 F341 I345 D377 I378 N379 G385	V304-A381 HydrophobicContact CG1-CB 3.62Å; F341-A381 HydrophobicContact CB-CB 3.56Å; F341-A381 HydrophobicContact CD1-CB 3.67Å; F341-A381 HydrophobicContact CD2-CB 3.86Å; F341-A381 HydrophobicContact CE1-CB 4.3Å; F341-A381 HydrophobicContact CE2-CB 4.46Å; F341-A381 HydrophobicContact CG-CB 3.42Å; F341-A381 VanDerWaalsContact CG-CB 3.42Å; I345-A381 HydrophobicContact CD1-CB 3.78Å; D377-A381 WeakPolarHBondContact O-CB 3.25Å; D377-A381 PolarHBondContact O-N 2.95Å; I378-A381 PolarHBondContact O-N 2.81Å; N379-A381 VanDerWaalsContact C-N 3.32Å; N379-A381 PolarHBondContact O-N 3.41Å; A381-G385 PolarHBondContact O-N 3.12Å
382	V	98	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-41.4	178.2	176.8	0	0	0	0	110.7	I378 Q380 D384 G385 V386 L408 V428 L438	I378-V382 HydrophobicContact CG2-CG2 4.2Å; I378-V382 WeakPolarHBondContact O-CG2 3.3Å; I378-V382 PolarHBondContact O-N 2.86Å; I378-V382 VanDerWaalsContact O-N 3.09Å; Q380-V382 PolarHBondContact O-N 2.81Å; V382-D384 VanDerWaalsContact C-N 3.35Å; V382-D384 PolarHBondContact O-N 2.76Å; V382-G385 PolarHBondContact O-N 3.42Å; V382-V386 HydrophobicContact CG1-CG2 4.49Å; V382-V386 WeakPolarHBondContact O-CG2 3.36Å; V382-V386 PolarHBondContact O-N 3.32Å; V382-L408 HydrophobicContact CG2-CD1 4.27Å; V382-L408 HydrophobicContact CG2-CD2 4.05Å; V382-V428 HydrophobicContact CB-CG2 4.16Å; V382-V428 HydrophobicContact CG1-CB 4.48Å; V382-V428 HydrophobicContact CG1-CG1 3.87Å; V382-V428 HydrophobicContact CG1-CG2 3.79Å; V382-L438 HydrophobicContact CG1-CD1 4.43Å; V382-L438 HydrophobicContact CG1-CD2 4.33Å
383	L	98.3	Very high	96	Very high	39 Å²	39	34.8 Å²	34.8	20%	0.204	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-41.2	177.9	-69.1	178.4	0	0	0	112.3	N379 Q380 G385 V386 E387 A431	N379-L383 WeakPolarHBondContact ND2-CD1 3.35Å; N379-L383 WeakPolarHBondContact O-CB 3.33Å; N379-L383 WeakPolarHBondContact O-CG 3.42Å; N379-L383 PolarHBondContact O-N 2.86Å; N379-L383 VanDerWaalsContact O-N 3.13Å; Q380-L383 PolarHBondContact O-N 3.34Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 2.79Å; L383-V386 PolarHBondContact O-N 2.73Å; L383-E387 WeakPolarHBondContact O-CB 3.42Å; L383-E387 PolarHBondContact O-N 2.89Å; L383-A431 HydrophobicContact CD2-CB 3.31Å
384	D	98.1	Very high	96.4	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-38.9	175.9	-75.6	8.1	0	0	0	111.4	I339 I345 Q380 V382 E387 M388	I339-D384 HydrophobicContact CD1-CB 4.32Å; I345-D384 HydrophobicContact CG2-CB 4.29Å; I345-D384 VanDerWaalsContact CG2-OD2 3.3Å; I345-D384 WeakPolarHBondContact CG2-OD2 3.38Å; Q380-D384 PolarHBondContact NE2-OD1 2.87Å; Q380-D384 WeakPolarHBondContact O-CB 3.24Å; Q380-D384 PolarHBondContact O-N 2.63Å; V382-D384 VanDerWaalsContact C-N 3.35Å; V382-D384 PolarHBondContact O-N 2.76Å; D384-E387 PolarHBondContact O-N 2.77Å; D384-M388 WeakPolarHBondContact O-CB 3.38Å; D384-M388 PolarHBondContact O-N 3.29Å
385	G	98	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-44.5	173.6	0	0	0	0	0	112.7	A381 V382 L383 M388 L389	A381-G385 PolarHBondContact O-N 3.12Å; V382-G385 PolarHBondContact O-N 3.42Å; L383-G385 VanDerWaalsContact C-N 3.32Å; L383-G385 PolarHBondContact O-N 2.79Å; G385-M388 PolarHBondContact O-N 2.96Å; G385-L389 PolarHBondContact O-N 3.37Å; G385-L389 VanDerWaalsContact O-N 3.14Å
386	V	98.1	Very high	96.8	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-46.2	174.9	173.1	0	0	0	0	111	V382 L383 M388 L389 K390 I406 A431 V432 M436	V382-V386 HydrophobicContact CG1-CG2 4.49Å; V382-V386 WeakPolarHBondContact O-CG2 3.36Å; V382-V386 PolarHBondContact O-N 3.32Å; L383-V386 PolarHBondContact O-N 2.73Å; V386-M388 VanDerWaalsContact C-N 3.33Å; V386-M388 PolarHBondContact O-N 2.84Å; V386-L389 PolarHBondContact O-N 3.47Å; V386-K390 HydrophobicContact CG1-CD 4.24Å; V386-K390 HydrophobicContact CG1-CG 4.42Å; V386-K390 WeakPolarHBondContact O-CG 3.3Å; V386-K390 PolarHBondContact O-N 2.83Å; V386-I406 HydrophobicContact CB-CD1 4.3Å; V386-I406 HydrophobicContact CG2-CD1 3.37Å; V386-A431 HydrophobicContact CB-CB 4.47Å; V386-A431 HydrophobicContact CG1-CB 4Å; V386-A431 WeakPolarHBondContact CG1-O 2.89Å; V386-A431 HydrophobicContact CG2-CB 4.5Å; V386-V432 HydrophobicContact CG2-CG2 3.78Å; V386-M436 HydrophobicContact CB-SD 4.42Å; V386-M436 HydrophobicContact CG1-CE 4.36Å; V386-M436 HydrophobicContact CG1-SD 4.01Å; V386-M436 HydrophobicContact CG2-SD 4.38Å
387	E	97.6	Very high	96.8	Very high	126 Å²	126	49.6 Å²	49.6	59%	0.589	24%	0.235	S	C	*	.	H	α-helix	trans	-62.4	-42.3	179.7	-174.1	176.8	170	0	0	111.2	L383 D384 L389 K390 R391	L383-E387 WeakPolarHBondContact O-CB 3.42Å; L383-E387 PolarHBondContact O-N 2.89Å; D384-E387 PolarHBondContact O-N 2.77Å; E387-L389 PolarHBondContact O-N 2.77Å; E387-K390 PolarHBondContact O-N 2.78Å; E387-R391 WeakPolarHBondContact O-CB 3.45Å; E387-R391 PolarHBondContact O-N 2.94Å
388	M	97.8	Very high	96.7	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-47.8	177.4	-167.7	-174.6	-70.3	0	0	111.7	A337 I339 L352 D384 G385 V386 R391 D392	A337-M388 HydrophobicContact CB-SD 3.46Å; A337-M388 WeakPolarHBondContact CB-SD 3.48Å; I339-M388 HydrophobicContact CD1-CE 4.11Å; I339-M388 HydrophobicContact CG1-CE 4.29Å; L352-M388 HydrophobicContact CD1-CG 3.82Å; L352-M388 HydrophobicContact CD1-SD 4.17Å; D384-M388 WeakPolarHBondContact O-CB 3.38Å; D384-M388 PolarHBondContact O-N 3.29Å; G385-M388 PolarHBondContact O-N 2.96Å; V386-M388 VanDerWaalsContact C-N 3.33Å; V386-M388 PolarHBondContact O-N 2.84Å; M388-R391 PolarHBondContact O-N 2.93Å; M388-D392 PolarHBondContact O-N 2.96Å
389	L	97.6	Very high	96.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-49.3	175.5	-77	163.8	0	0	0	111.5	N300 V302 L352 G385 V386 E387 R391 D392 R393 D404 I406 M436	N300-L389 HydrophobicContact CB-CD2 3.85Å; V302-L389 HydrophobicContact CG2-CD1 3.86Å; V302-L389 HydrophobicContact CG2-CD2 4.05Å; V302-L389 HydrophobicContact CG2-CG 3.66Å; L352-L389 HydrophobicContact CD1-CD2 3.98Å; L352-L389 HydrophobicContact CD1-CG 4.35Å; L352-L389 HydrophobicContact CD2-CD2 3.67Å; L352-L389 HydrophobicContact CG-CD2 4.47Å; G385-L389 PolarHBondContact O-N 3.37Å; G385-L389 VanDerWaalsContact O-N 3.14Å; V386-L389 PolarHBondContact O-N 3.47Å; E387-L389 PolarHBondContact O-N 2.77Å; L389-R391 PolarHBondContact O-N 2.98Å; L389-D392 PolarHBondContact O-N 2.85Å; L389-R393 WeakPolarHBondContact O-CB 3.17Å; L389-R393 PolarHBondContact O-N 2.82Å; L389-D404 HydrophobicContact CD1-CB 4.31Å; L389-D404 HydrophobicContact CD2-CB 4.15Å; L389-I406 HydrophobicContact CD1-CD1 4.13Å; L389-I406 HydrophobicContact CD1-CG1 3.68Å; L389-M436 HydrophobicContact CB-CE 3.54Å; L389-M436 HydrophobicContact CB-SD 4.04Å; L389-M436 HydrophobicContact CD1-CE 4.43Å; L389-M436 HydrophobicContact CD1-SD 3.83Å
390	K	96.9	Very high	95.9	Very high	79 Å²	79	60 Å²	60	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-45.5	178.4	-74.7	-172.3	179.8	-178.1	0	112	V386 E387 R393 Q394 A431 M436	V386-K390 HydrophobicContact CG1-CD 4.24Å; V386-K390 HydrophobicContact CG1-CG 4.42Å; V386-K390 WeakPolarHBondContact O-CG 3.3Å; V386-K390 PolarHBondContact O-N 2.83Å; E387-K390 PolarHBondContact O-N 2.78Å; K390-R393 PolarHBondContact O-N 2.81Å; K390-Q394 WeakPolarHBondContact O-CB 3.4Å; K390-Q394 VanDerWaalsContact O-CG 3.22Å; K390-Q394 WeakPolarHBondContact O-CG 3.01Å; K390-Q394 PolarHBondContact O-N 3.28Å; K390-A431 WeakPolarHBondContact CE-O 3.25Å; K390-A431 PolarHBondContact NZ-O 3.47Å; K390-M436 HydrophobicContact CG-CE 3.53Å
391	R	96.8	Very high	95.4	Very high	83 Å²	83	61.3 Å²	61.3	31%	0.313	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-45.2	-177.6	-172.6	-172	54.2	52.9	12.3	111.1	E350 E387 M388 L389 A395	E350-R391 PolarHBondContact O-NH2 2.73Å; E387-R391 WeakPolarHBondContact O-CB 3.45Å; E387-R391 PolarHBondContact O-N 2.94Å; M388-R391 PolarHBondContact O-N 2.93Å; L389-R391 PolarHBondContact O-N 2.98Å; R391-A395 VanDerWaalsContact O-CB 3.25Å; R391-A395 WeakPolarHBondContact O-CB 3.27Å; R391-A395 PolarHBondContact O-N 2.94Å
392	D	96.9	Very high	95.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-73.6	-32.7	179.4	-75.2	-29.5	0	0	0	112.7	S351 L352 M388 L389 A395 N396 R397 L398	S351-D392 VanDerWaalsContact CA-OD2 3.23Å; S351-D392 WeakPolarHBondContact CA-OD2 3.48Å; S351-D392 WeakPolarHBondContact CB-OD2 3.3Å; L352-D392 HydrophobicContact CD1-CB 4.17Å; L352-D392 WeakPolarHBondContact CD1-OD2 3.49Å; L352-D392 PolarHBondContact N-OD2 2.97Å; M388-D392 PolarHBondContact O-N 2.96Å; L389-D392 PolarHBondContact O-N 2.85Å; D392-A395 PolarHBondContact O-N 2.89Å; D392-N396 PolarHBondContact O-N 2.93Å; D392-R397 HydrophobicContact CB-CB 4.29Å; D392-R397 PolarHBondContact O-N 2.8Å; D392-R397 WeakPolarHBondContact OD1-CD 3.44Å; D392-R397 IonicContact OD1-CZ 2.9Å; D392-R397 IonicContact OD1-NE 3.47Å; D392-R397 IonicContact OD1-NH1 3.23Å; D392-R397 PolarHBondContact OD1-NH1 2.85Å; D392-L398 HydrophobicContact CB-CD1 4.08Å; D392-L398 HydrophobicContact CB-CD2 4.27Å; D392-L398 HydrophobicContact CB-CG 3.99Å
393	R	94.6	Very high	95	Very high	59 Å²	59	62.4 Å²	62.4	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-51.3	169.9	-177	66.6	66	-177	11.1	111.6	N300 L389 K390 A395 N396 L398 P399 S402 D404	N300-R393 PolarHBondContact ND2-NH2 2.85Å; L389-R393 WeakPolarHBondContact O-CB 3.17Å; L389-R393 PolarHBondContact O-N 2.82Å; K390-R393 PolarHBondContact O-N 2.81Å; R393-A395 VanDerWaalsContact C-N 3.26Å; R393-A395 PolarHBondContact O-N 2.9Å; R393-N396 PolarHBondContact O-N 2.87Å; R393-L398 HydrophobicContact CB-CD1 4.2Å; R393-P399 PolarHBondContact NH1-O 2.78Å; R393-S402 PolarHBondContact NH1-OG 2.87Å; R393-S402 PolarHBondContact NH2-O 3Å; R393-S402 PolarHBondContact NH2-OG 2.93Å; R393-D404 IonicContact CZ-OD1 3.55Å; R393-D404 IonicContact CZ-OD2 2.74Å; R393-D404 IonicContact NE-OD1 2.74Å; R393-D404 IonicContact NE-OD2 3.52Å; R393-D404 PolarHBondContact NE-OD2 2.82Å; R393-D404 VanDerWaalsContact NH2-CG 3.25Å; R393-D404 IonicContact NH2-OD1 3.44Å; R393-D404 PolarHBondContact NH2-OD1 2.9Å; R393-D404 IonicContact NH2-OD2 3.52Å; R393-D404 PolarHBondContact NH2-OD2 3.42Å
394	Q	94.5	Very high	94.9	Very high	155 Å²	155	61 Å²	61	72%	0.724	29%	0.289	S	S	*	.	H	α-helix	trans	-63.7	-31.6	178.2	-73.7	173.9	0.6	0	0	112.7	K390 N396	K390-Q394 WeakPolarHBondContact O-CB 3.4Å; K390-Q394 VanDerWaalsContact O-CG 3.22Å; K390-Q394 WeakPolarHBondContact O-CG 3.01Å; K390-Q394 PolarHBondContact O-N 3.28Å; Q394-N396 PolarHBondContact O-N 2.98Å
395	A	95.7	Very high	94.9	Very high	49 Å²	49	59 Å²	59	41%	0.405	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.8	175.6	0	0	0	0	0	113.8	R391 D392 R393 R397	R391-A395 VanDerWaalsContact O-CB 3.25Å; R391-A395 WeakPolarHBondContact O-CB 3.27Å; R391-A395 PolarHBondContact O-N 2.94Å; D392-A395 PolarHBondContact O-N 2.89Å; R393-A395 VanDerWaalsContact C-N 3.26Å; R393-A395 PolarHBondContact O-N 2.9Å; A395-R397 HydrophobicContact CB-CG 4.02Å; A395-R397 PolarHBondContact O-N 2.86Å
396	N	93.6	Very high	94.9	Very high	149 Å²	149	59 Å²	59	80%	0.797	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	36.1	-176.8	-60.3	-45.7	0	0	0	113.6	D392 R393 Q394	D392-N396 PolarHBondContact O-N 2.93Å; R393-N396 PolarHBondContact O-N 2.87Å; Q394-N396 PolarHBondContact O-N 2.98Å
397	R	93.4	Very high	94.9	Very high	135 Å²	135	59.2 Å²	59.2	51%	0.509	28%	0.279	S	S	.	.			trans	-93.9	-11.2	177.7	-64.5	176.3	-175.2	170.6	-2.8	113.4	D392 A395	D392-R397 HydrophobicContact CB-CB 4.29Å; D392-R397 PolarHBondContact O-N 2.8Å; D392-R397 WeakPolarHBondContact OD1-CD 3.44Å; D392-R397 IonicContact OD1-CZ 2.9Å; D392-R397 IonicContact OD1-NE 3.47Å; D392-R397 IonicContact OD1-NH1 3.23Å; D392-R397 PolarHBondContact OD1-NH1 2.85Å; A395-R397 HydrophobicContact CB-CG 4.02Å; A395-R397 PolarHBondContact O-N 2.86Å
398	L	94.9	Very high	94.9	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	25%	0.251	C	S	.	.	S	Bend	trans	-108.6	149.2	-179.2	-56.6	178.8	0	0	0	110.1	N300 H335 L352 D392 R393 E400	N300-L398 HydrophobicContact CB-CD1 4.21Å; N300-L398 HydrophobicContact CB-CD2 4.43Å; H335-L398 HydrophobicContact CB-CD2 3.95Å; L352-L398 HydrophobicContact CB-CD2 3.97Å; L352-L398 HydrophobicContact CD2-CD2 4.17Å; L352-L398 HydrophobicContact CG-CD2 4.49Å; D392-L398 HydrophobicContact CB-CD1 4.08Å; D392-L398 HydrophobicContact CB-CD2 4.27Å; D392-L398 HydrophobicContact CB-CG 3.99Å; R393-L398 HydrophobicContact CB-CD1 4.2Å; L398-E400 PolarHBondContact O-N 3.09Å
399	P	91.3	Very high	94.9	Very high	42 Å²	42	52.8 Å²	52.8	27%	0.273	25%	0.249	S	C	.	.			trans	-59.7	135.2	179	-20.2	31.1	0	0	0	111.6	R393 R401 S402	R393-P399 PolarHBondContact NH1-O 2.78Å; P399-R401 VanDerWaalsContact C-N 3.34Å; P399-R401 PolarHBondContact O-N 3.01Å; P399-S402 WeakPolarHBondContact O-CB 3.25Å; P399-S402 PolarHBondContact O-N 3.41Å; P399-S402 PolarHBondContact O-OG 2.88Å
400	E	86.8	Confident	94.8	Very high	188 Å²	188	52.8 Å²	52.8	88%	0.879	25%	0.249	S	C	*	.	S	Bend	trans	-56.2	-44.9	-175.1	-170.6	176.1	-177	0	0	112.9	L398 S402	L398-E400 PolarHBondContact O-N 3.09Å; E400-S402 PolarHBondContact O-N 3.29Å
401	R	87.1	Confident	94.6	Very high	104 Å²	104	49 Å²	49	39%	0.392	23%	0.233	S	C	.	.	S	Bend	trans	-99.3	73.2	176.3	-64.7	-172.7	176.4	-157.6	23.7	111.3	P399 F540 E541 D542	P399-R401 VanDerWaalsContact C-N 3.34Å; P399-R401 PolarHBondContact O-N 3.01Å; R401-F540 WeakPolarHBondContact CD-O 3.49Å; R401-E541 PolarHBondContact NH1-O 3.25Å; R401-E541 PolarHBondContact NH2-O 2.79Å; R401-D542 VanDerWaalsContact NH1-C 3.31Å; R401-D542 IonicContact NH2-OD1 2.67Å
402	S	93	Very high	94.2	Very high	12 Å²	12	45.4 Å²	45.4	8%	0.084	22%	0.221	C	C	.	.			trans	-142.2	157.9	175.9	57.5	0	0	0	0	110.6	P298 N300 R393 P399 E400	P298-S402 WeakPolarHBondContact O-CA 3.34Å; P298-S402 WeakPolarHBondContact O-CB 3.42Å; N300-S402 PolarHBondContact ND2-OG 3.42Å; R393-S402 PolarHBondContact NH1-OG 2.87Å; R393-S402 PolarHBondContact NH2-O 3Å; R393-S402 PolarHBondContact NH2-OG 2.93Å; P399-S402 WeakPolarHBondContact O-CB 3.25Å; P399-S402 PolarHBondContact O-N 3.41Å; P399-S402 PolarHBondContact O-OG 2.88Å; E400-S402 PolarHBondContact O-N 3.29Å
403	V	94.4	Very high	94	Very high	11 Å²	11	48.3 Å²	48.3	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.5	-178.6	61.8	0	0	0	0	111.9	P298 K299 N300 M405 P486 L489	P298-V403 PolarHBondContact O-N 3.44Å; K299-V403 CarbonylContact C-O 3.52Å; K299-V403 WeakPolarHBondContact CA-O 3.49Å; K299-V403 HydrophobicContact CB-CG1 3.72Å; N300-V403 PolarHBondContact N-O 2.8Å; V403-M405 HydrophobicContact CB-CE 4.33Å; V403-M405 HydrophobicContact CG1-CE 3.45Å; V403-M405 VanDerWaalsContact CG1-CE 3.45Å; V403-M405 HydrophobicContact CG1-CG 4.41Å; V403-M405 HydrophobicContact CG1-SD 4.21Å; V403-M405 HydrophobicContact CG2-CE 3.89Å; V403-M405 HydrophobicContact CG2-CG 4.26Å; V403-P486 HydrophobicContact CG1-CB 4.27Å; V403-P486 HydrophobicContact CG1-CG 3.64Å; V403-L489 HydrophobicContact CB-CD1 4.02Å; V403-L489 HydrophobicContact CB-CD2 3.88Å; V403-L489 HydrophobicContact CG1-CD2 4.46Å; V403-L489 HydrophobicContact CG2-CD1 4.41Å; V403-L489 HydrophobicContact CG2-CD2 3.83Å
404	D	96.3	Very high	93.9	Very high	11 Å²	11	46 Å²	46	6%	0.059	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.4	178.7	-68.3	-20.4	0	0	0	110	N300 L389 R393 M436 S437	N300-D404 WeakPolarHBondContact CB-OD1 3.39Å; N300-D404 PolarHBondContact ND2-OD1 2.79Å; L389-D404 HydrophobicContact CD1-CB 4.31Å; L389-D404 HydrophobicContact CD2-CB 4.15Å; R393-D404 IonicContact CZ-OD1 3.55Å; R393-D404 IonicContact CZ-OD2 2.74Å; R393-D404 IonicContact NE-OD1 2.74Å; R393-D404 IonicContact NE-OD2 3.52Å; R393-D404 PolarHBondContact NE-OD2 2.82Å; R393-D404 VanDerWaalsContact NH2-CG 3.25Å; R393-D404 IonicContact NH2-OD1 3.44Å; R393-D404 PolarHBondContact NH2-OD1 2.9Å; R393-D404 IonicContact NH2-OD2 3.52Å; R393-D404 PolarHBondContact NH2-OD2 3.42Å; D404-M436 HydrophobicContact CB-CB 4.12Å; D404-M436 HydrophobicContact CB-CG 3.78Å; D404-M436 VanDerWaalsContact O-CA 3.32Å; D404-M436 WeakPolarHBondContact O-CA 3.19Å; D404-S437 PolarHBondContact O-N 3.08Å
405	M	96.8	Very high	93.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.4	-173.6	-64.1	175.5	169.5	0	0	111.5	K299 N300 V301 V302 V403 S437 F439 P486 F512	K299-M405 HydrophobicContact CB-SD 4.07Å; K299-M405 HydrophobicContact CD-SD 3.97Å; N300-M405 PolarHBondContact O-N 2.85Å; V301-M405 WeakPolarHBondContact CA-O 3.49Å; V301-M405 HydrophobicContact CB-CB 4.45Å; V301-M405 HydrophobicContact CG2-CB 4.39Å; V302-M405 PolarHBondContact N-O 2.88Å; V403-M405 HydrophobicContact CB-CE 4.33Å; V403-M405 HydrophobicContact CG1-CE 3.45Å; V403-M405 VanDerWaalsContact CG1-CE 3.45Å; V403-M405 HydrophobicContact CG1-CG 4.41Å; V403-M405 HydrophobicContact CG1-SD 4.21Å; V403-M405 HydrophobicContact CG2-CE 3.89Å; V403-M405 HydrophobicContact CG2-CG 4.26Å; M405-S437 CarbonylContact C-O 3.5Å; M405-S437 WeakPolarHBondContact CA-O 3.29Å; M405-F439 HydrophobicContact CG-CE2 4.25Å; M405-F439 HydrophobicContact SD-CE2 4.34Å; M405-P486 HydrophobicContact CE-CB 4.26Å; M405-P486 HydrophobicContact CE-CG 4.03Å; M405-F512 HydrophobicContact CE-CE1 3.77Å; M405-F512 HydrophobicContact CE-CZ 4.01Å
406	I	98.3	Very high	93.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.6	170.3	-59	176	0	0	0	107.7	V302 V304 V386 L389 S437 L438 F439	V302-I406 HydrophobicContact CB-CG1 4.49Å; V302-I406 WeakPolarHBondContact O-CA 3.42Å; V304-I406 HydrophobicContact CG2-CG2 3.75Å; V386-I406 HydrophobicContact CB-CD1 4.3Å; V386-I406 HydrophobicContact CG2-CD1 3.37Å; L389-I406 HydrophobicContact CD1-CD1 4.13Å; L389-I406 HydrophobicContact CD1-CG1 3.68Å; I406-S437 PolarHBondContact N-O 3.43Å; I406-L438 HydrophobicContact CB-CD1 3.76Å; I406-L438 HydrophobicContact CG2-CD1 3.59Å; I406-F439 PolarHBondContact O-N 2.84Å
407	I	98.3	Very high	93.7	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.9	173	-59.8	176.5	0	0	0	107.4	V301 V302 F303 V304 F439 L441 F479 Y480	V301-I407 HydrophobicContact CG2-CD1 3.94Å; V301-I407 HydrophobicContact CG2-CG1 4.14Å; V302-I407 PolarHBondContact O-N 3.01Å; F303-I407 HydrophobicContact CD1-CB 4.11Å; F303-I407 HydrophobicContact CD1-CD1 4.24Å; F303-I407 HydrophobicContact CE1-CD1 3.81Å; V304-I407 PolarHBondContact N-O 3.45Å; I407-F439 WeakPolarHBondContact CA-O 3.49Å; I407-F439 HydrophobicContact CG1-CB 4.27Å; I407-F439 HydrophobicContact CG1-CD2 4.24Å; I407-L441 HydrophobicContact CG2-CD1 3.8Å; I407-L441 HydrophobicContact CG2-CG 4.3Å; I407-F479 HydrophobicContact CD1-CE1 4.47Å; I407-F479 HydrophobicContact CG2-CE1 4.22Å; I407-Y480 HydrophobicContact CD1-CD2 4.04Å; I407-Y480 HydrophobicContact CD1-CE2 4.4Å
408	L	98.4	Very high	93.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.3	175.7	173.4	66.3	0	0	0	109.6	V304 F341 I378 V382 T410 L438 F439 C440 L441 L452 M455	V304-L408 HydrophobicContact CB-CD1 4.06Å; V304-L408 HydrophobicContact CG1-CD1 3.73Å; V304-L408 CarbonylContact O-C 3.53Å; V304-L408 WeakPolarHBondContact O-CA 3.17Å; F341-L408 HydrophobicContact CE1-CD1 3.64Å; F341-L408 HydrophobicContact CZ-CD1 3.81Å; I378-L408 HydrophobicContact CG2-CD2 3.82Å; V382-L408 HydrophobicContact CG2-CD1 4.27Å; V382-L408 HydrophobicContact CG2-CD2 4.05Å; L408-T410 HydrophobicContact CD2-CG2 4.49Å; L408-T410 HydrophobicContact CG-CG2 4.48Å; L408-L438 HydrophobicContact CB-CD1 4.35Å; L408-F439 PolarHBondContact N-O 3.15Å; L408-C440 CarbonylContact O-C 3.59Å; L408-L441 WeakPolarHBondContact O-CB 3.46Å; L408-L441 PolarHBondContact O-N 2.99Å; L408-L452 HydrophobicContact CD2-CD2 4.32Å; L408-M455 HydrophobicContact CD2-CE 3.61Å
409	L	97.9	Very high	93.6	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.7	169.1	176.6	69.3	0	0	0	109.3	V304 I305 D306 T319 L441 F443 L476	V304-L409 PolarHBondContact O-N 3.26Å; I305-L409 HydrophobicContact CD1-CB 4.05Å; I305-L409 HydrophobicContact CD1-CD2 4.36Å; D306-L409 WeakPolarHBondContact CB-O 3.25Å; D306-L409 PolarHBondContact N-O 3.25Å; T319-L409 HydrophobicContact CG2-CD2 3.37Å; L409-L441 WeakPolarHBondContact CA-O 3.43Å; L409-L441 HydrophobicContact CB-CB 4.32Å; L409-L441 HydrophobicContact CD1-CB 3.5Å; L409-L441 HydrophobicContact CD1-CD1 4.42Å; L409-F443 HydrophobicContact CD1-CB 4.12Å; L409-F443 HydrophobicContact CD1-CD1 4.11Å; L409-L476 HydrophobicContact CD1-CD2 3.93Å
410	T	96.1	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.5	179.2	-179.1	0	0	0	0	111.8	D306 I378 L408 G412 L441 G442 F443 V447 L452	D306-T410 WeakPolarHBondContact OD2-CB 3.26Å; D306-T410 PolarHBondContact OD2-OG1 2.89Å; I378-T410 HydrophobicContact CD1-CG2 4.16Å; L408-T410 HydrophobicContact CD2-CG2 4.49Å; L408-T410 HydrophobicContact CG-CG2 4.48Å; T410-G412 PolarHBondContact OG1-N 3.48Å; T410-G412 PolarHBondContact OG1-O 3.49Å; T410-L441 PolarHBondContact N-O 3.14Å; T410-G442 CarbonylContact O-C 3.55Å; T410-G442 WeakPolarHBondContact O-CA 3.39Å; T410-F443 PolarHBondContact O-N 2.81Å; T410-V447 HydrophobicContact CG2-CG2 4.32Å; T410-L452 HydrophobicContact CG2-CD1 4.06Å; T410-L452 HydrophobicContact CG2-CD2 4.1Å
411	D	92.3	Very high	94.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-106.8	-8.3	173.1	76	-20.8	0	0	0	113.7	S308 S310 M311 K315 F443 D446 V447	S308-D411 PolarHBondContact OG-OD1 2.88Å; S310-D411 WeakPolarHBondContact CB-OD2 3.16Å; S310-D411 PolarHBondContact OG-OD1 3.28Å; S310-D411 PolarHBondContact OG-OD2 3.37Å; M311-D411 WeakPolarHBondContact CA-OD2 3.5Å; M311-D411 HydrophobicContact CG-CB 4.44Å; M311-D411 WeakPolarHBondContact CG-OD1 3.04Å; M311-D411 PolarHBondContact N-OD2 2.87Å; M311-D411 VanDerWaalsContact N-OD2 3.17Å; M311-D411 HydrophobicContact SD-CB 3.49Å; M311-D411 WeakPolarHBondContact SD-CB 3.43Å; K315-D411 HydrophobicContact CD-CB 4.17Å; K315-D411 WeakPolarHBondContact CE-OD2 3.11Å; K315-D411 IonicContact NZ-OD2 3.81Å; K315-D411 PolarHBondContact NZ-OD2 2.9Å; D411-F443 VanDerWaalsContact CA-O 3.24Å; D411-F443 WeakPolarHBondContact CA-O 3.24Å; D411-F443 HydrophobicContact CB-CB 4.1Å; D411-F443 WeakPolarHBondContact CB-O 3.48Å; D411-D446 CarbonylContact O-C 3.5Å; D411-D446 VanDerWaalsContact O-CB 3.3Å; D411-D446 WeakPolarHBondContact O-CB 3.13Å; D411-V447 PolarHBondContact O-N 3.41Å; D411-V447 VanDerWaalsContact O-N 3.17Å
412	G	87.9	Confident	94.3	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	21%	0.205	C	C	.	.	S	Bend	trans	-128.4	164.8	-167.1	0	0	0	0	0	114.6	T410	T410-G412 PolarHBondContact OG1-N 3.48Å; T410-G412 PolarHBondContact OG1-O 3.49Å
413	M	92.4	Very high	94.4	Very high	62 Å²	62	41 Å²	41	31%	0.305	22%	0.224	S	C	.	.			trans	-78.9	147.7	171.9	-66.9	-60.2	-70.7	0	0	111.1	N415 I421 V447 D448	M413-N415 PolarHBondContact O-N 2.86Å; M413-I421 HydrophobicContact CE-CD1 3.41Å; M413-I421 VanDerWaalsContact CE-CD1 3.41Å; M413-I421 HydrophobicContact CE-CG1 4Å; M413-V447 HydrophobicContact SD-CG2 4.3Å; M413-D448 HydrophobicContact CE-CB 3.83Å; M413-D448 HydrophobicContact SD-CB 3.52Å; M413-D448 VanDerWaalsContact SD-CB 3.52Å; M413-D448 PolarHBondContact SD-N 3Å
414	P	93.2	Very high	94.5	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.058	22%	0.22	C	C	.	.			trans	-62.9	120.3	176.5	28.2	-34.3	0	0	0	110.3	T376 I378 S419 I424	T376-P414 WeakPolarHBondContact O-CA 3.43Å; I378-P414 HydrophobicContact CB-CB 4.44Å; I378-P414 HydrophobicContact CD1-CB 4.26Å; I378-P414 HydrophobicContact CG1-CB 4.36Å; P414-S419 VanDerWaalsContact O-CB 3.32Å; P414-S419 WeakPolarHBondContact O-CB 2.98Å; P414-I424 HydrophobicContact CB-CD1 3.68Å; P414-I424 HydrophobicContact CG-CD1 3.47Å; P414-I424 VanDerWaalsContact CG-CD1 3.47Å
415	N	91.5	Very high	94.4	Very high	104 Å²	104	41 Å²	41	56%	0.556	22%	0.223	S	C	*	.			trans	-135.1	4	-175.5	63	14.2	0	0	0	112.9	A375 T376 M413	A375-N415 VanDerWaalsContact CB-OD1 3.28Å; A375-N415 WeakPolarHBondContact CB-OD1 3.4Å; T376-N415 PolarHBondContact N-OD1 3.4Å; T376-N415 PolarHBondContact O-N 2.7Å; M413-N415 PolarHBondContact O-N 2.86Å
416	S	93.2	Very high	94.4	Very high	28 Å²	28	45.7 Å²	45.7	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	-128.6	150.5	169.2	-177.4	0	0	0	0	109.7	T376 V418	T376-S416 PolarHBondContact O-N 2.87Å; T376-S416 VanDerWaalsContact O-N 3.13Å; S416-V418 PolarHBondContact O-N 2.92Å
417	G	93.8	Very high	94.3	Very high	59 Å²	59	48 Å²	48	61%	0.608	26%	0.257	S	S	*	.	S	Bend	trans	67.3	-125.4	-176.1	0	0	0	0	0	112.2	D377	D377-G417 WeakPolarHBondContact OD2-CA 3.2Å
418	V	95.1	Very high	94.3	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.236	26%	0.255	C	S	.	.			trans	-86.9	116.5	175.6	-177.3	0	0	0	0	109	N379 S416 K423 I424	N379-V418 HydrophobicContact CB-CB 3.93Å; N379-V418 HydrophobicContact CB-CG2 4.48Å; S416-V418 PolarHBondContact O-N 2.92Å; V418-K423 HydrophobicContact CG1-CB 4.23Å; V418-K423 HydrophobicContact CG1-CD 4.01Å; V418-K423 HydrophobicContact CG1-CG 4.15Å; V418-I424 HydrophobicContact CB-CG1 4.37Å; V418-I424 HydrophobicContact CG1-CG1 3.93Å; V418-I424 VanDerWaalsContact O-CD1 3.23Å; V418-I424 WeakPolarHBondContact O-CD1 3.48Å
419	S	91.6	Very high	94.1	Very high	74 Å²	74	52.9 Å²	52.9	52%	0.517	28%	0.275	S	S	.	.			trans	-104	-11.2	-179.7	54.5	0	0	0	0	114.7	P414 I421	P414-S419 VanDerWaalsContact O-CB 3.32Å; P414-S419 WeakPolarHBondContact O-CB 2.98Å; S419-I421 PolarHBondContact O-N 3.43Å
420	D	94.3	Very high	94	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	30%	0.303	S	S	.	.			trans	-72.9	108.1	176.2	-174.9	-48.6	0	0	0	110.5	R422 K423 I424	D420-R422 VanDerWaalsContact C-N 3.3Å; D420-R422 PolarHBondContact O-N 3.19Å; D420-R422 PolarHBondContact OD1-N 2.88Å; D420-K423 HydrophobicContact CB-CB 3.92Å; D420-K423 WeakPolarHBondContact O-CB 3.27Å; D420-K423 PolarHBondContact O-N 3.32Å; D420-K423 VanDerWaalsContact O-N 3.08Å; D420-K423 PolarHBondContact OD1-N 2.96Å; D420-K423 VanDerWaalsContact OD1-N 3.12Å; D420-I424 VanDerWaalsContact O-CG1 3.29Å; D420-I424 WeakPolarHBondContact O-CG1 3.34Å; D420-I424 PolarHBondContact O-N 3.44Å
421	I	93.8	Very high	94	Very high	50 Å²	50	57.7 Å²	57.7	26%	0.256	31%	0.31	S	S	.	.	H	α-helix	trans	-47.5	-47	-178.9	-64.5	174.9	0	0	0	112.7	M413 S419 I424 Q425 F451	M413-I421 HydrophobicContact CE-CD1 3.41Å; M413-I421 VanDerWaalsContact CE-CD1 3.41Å; M413-I421 HydrophobicContact CE-CG1 4Å; S419-I421 PolarHBondContact O-N 3.43Å; I421-I424 PolarHBondContact O-N 3.02Å; I421-Q425 WeakPolarHBondContact O-CG 3.5Å; I421-Q425 PolarHBondContact O-N 2.76Å; I421-F451 HydrophobicContact CB-CD2 4.29Å; I421-F451 HydrophobicContact CG2-CB 3.89Å; I421-F451 HydrophobicContact CG2-CD2 3.34Å; I421-F451 HydrophobicContact CG2-CE2 4.09Å; I421-F451 HydrophobicContact CG2-CG 3.82Å
422	R	91.3	Very high	94.1	Very high	189 Å²	189	57.7 Å²	57.7	71%	0.713	31%	0.31	S	S	*	.	H	α-helix	trans	-69.1	-41.3	-176.7	-65.6	-176.2	-175.8	-179.3	1.8	110.4	D420 I424 Q425 E426	D420-R422 VanDerWaalsContact C-N 3.3Å; D420-R422 PolarHBondContact O-N 3.19Å; D420-R422 PolarHBondContact OD1-N 2.88Å; R422-I424 VanDerWaalsContact C-N 3.31Å; R422-I424 PolarHBondContact O-N 2.92Å; R422-Q425 PolarHBondContact O-N 2.71Å; R422-E426 WeakPolarHBondContact O-CG 3.47Å; R422-E426 PolarHBondContact O-N 3.22Å
423	K	95.6	Very high	94.2	Very high	108 Å²	108	59.6 Å²	59.6	47%	0.47	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.1	-169	173	-179.1	179	0	112	V418 D420 E426 N427	V418-K423 HydrophobicContact CG1-CB 4.23Å; V418-K423 HydrophobicContact CG1-CD 4.01Å; V418-K423 HydrophobicContact CG1-CG 4.15Å; D420-K423 HydrophobicContact CB-CB 3.92Å; D420-K423 WeakPolarHBondContact O-CB 3.27Å; D420-K423 PolarHBondContact O-N 3.32Å; D420-K423 VanDerWaalsContact O-N 3.08Å; D420-K423 PolarHBondContact OD1-N 2.96Å; D420-K423 VanDerWaalsContact OD1-N 3.12Å; K423-E426 PolarHBondContact O-N 3.44Å; K423-N427 WeakPolarHBondContact O-CB 3.38Å; K423-N427 PolarHBondContact O-N 2.89Å; K423-N427 PolarHBondContact O-ND2 3.35Å; K423-N427 PolarHBondContact O-OD1 2.93Å
424	I	96.4	Very high	93.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-48.7	175.2	-60.8	169.4	0	0	0	110.2	N379 P414 V418 D420 I421 R422 E426 N427 V428 F451 M455	N379-I424 HydrophobicContact CB-CG1 4.07Å; N379-I424 HydrophobicContact CB-CG2 4.31Å; P414-I424 HydrophobicContact CB-CD1 3.68Å; P414-I424 HydrophobicContact CG-CD1 3.47Å; P414-I424 VanDerWaalsContact CG-CD1 3.47Å; V418-I424 HydrophobicContact CB-CG1 4.37Å; V418-I424 HydrophobicContact CG1-CG1 3.93Å; V418-I424 VanDerWaalsContact O-CD1 3.23Å; V418-I424 WeakPolarHBondContact O-CD1 3.48Å; D420-I424 VanDerWaalsContact O-CG1 3.29Å; D420-I424 WeakPolarHBondContact O-CG1 3.34Å; D420-I424 PolarHBondContact O-N 3.44Å; I421-I424 PolarHBondContact O-N 3.02Å; R422-I424 VanDerWaalsContact C-N 3.31Å; R422-I424 PolarHBondContact O-N 2.92Å; I424-E426 VanDerWaalsContact C-N 3.31Å; I424-E426 PolarHBondContact O-N 3.29Å; I424-N427 PolarHBondContact O-N 3.49Å; I424-V428 HydrophobicContact CG2-CG2 4.18Å; I424-V428 WeakPolarHBondContact O-CB 2.85Å; I424-V428 VanDerWaalsContact O-CG2 3.29Å; I424-V428 WeakPolarHBondContact O-CG2 3.32Å; I424-V428 PolarHBondContact O-N 3.35Å; I424-F451 HydrophobicContact CB-CE2 4.3Å; I424-F451 HydrophobicContact CD1-CZ 4.36Å; I424-F451 HydrophobicContact CG2-CE2 4.15Å; I424-F451 HydrophobicContact CG2-CZ 4.08Å; I424-M455 HydrophobicContact CG2-SD 4.24Å
425	Q	95.3	Very high	93.6	Very high	24 Å²	24	63.9 Å²	63.9	11%	0.112	36%	0.361	C	S	.	.	H	α-helix	trans	-56.6	-45.4	176.8	-71.6	169.4	-26.4	0	0	111.4	I421 R422 V428 R429 F451 M455	I421-Q425 WeakPolarHBondContact O-CG 3.5Å; I421-Q425 PolarHBondContact O-N 2.76Å; R422-Q425 PolarHBondContact O-N 2.71Å; Q425-V428 PolarHBondContact O-N 2.99Å; Q425-R429 WeakPolarHBondContact O-CB 3.41Å; Q425-R429 PolarHBondContact O-N 3.47Å; Q425-F451 HydrophobicContact CG-CD2 4.1Å; Q425-F451 HydrophobicContact CG-CE2 4.09Å; Q425-F451 PolarHBondContact NE2-O 3.42Å; Q425-F451 VanDerWaalsContact NE2-O 3.08Å; Q425-M455 HydrophobicContact CG-CB 4.16Å
426	E	95.1	Very high	93.7	Very high	100 Å²	100	59.3 Å²	59.3	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-45	176.3	-73.4	173.3	-179.6	0	0	113.1	R422 K423 I424 S430	R422-E426 WeakPolarHBondContact O-CG 3.47Å; R422-E426 PolarHBondContact O-N 3.22Å; K423-E426 PolarHBondContact O-N 3.44Å; I424-E426 VanDerWaalsContact C-N 3.31Å; I424-E426 PolarHBondContact O-N 3.29Å; E426-S430 VanDerWaalsContact O-CB 3.29Å; E426-S430 WeakPolarHBondContact O-CB 3.26Å; E426-S430 PolarHBondContact O-N 2.98Å; E426-S430 PolarHBondContact O-OG 3Å
427	N	97.6	Very high	93.9	Very high	49 Å²	49	58 Å²	58	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-49.6	177.7	-72.4	-16.1	0	0	0	110.9	N379 K423 I424 S430 A431	N379-N427 PolarHBondContact OD1-ND2 3.25Å; K423-N427 WeakPolarHBondContact O-CB 3.38Å; K423-N427 PolarHBondContact O-N 2.89Å; K423-N427 PolarHBondContact O-ND2 3.35Å; K423-N427 PolarHBondContact O-OD1 2.93Å; I424-N427 PolarHBondContact O-N 3.49Å; N427-S430 PolarHBondContact O-N 3.3Å; N427-A431 VanDerWaalsContact O-CB 3.3Å; N427-A431 WeakPolarHBondContact O-CB 3.35Å; N427-A431 PolarHBondContact O-N 2.85Å
428	V	97	Very high	94	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-48.3	-179.2	171.1	0	0	0	0	110.5	V382 I424 Q425 S430 A431 V432 L438 M455	V382-V428 HydrophobicContact CB-CG2 4.16Å; V382-V428 HydrophobicContact CG1-CB 4.48Å; V382-V428 HydrophobicContact CG1-CG1 3.87Å; V382-V428 HydrophobicContact CG1-CG2 3.79Å; I424-V428 HydrophobicContact CG2-CG2 4.18Å; I424-V428 WeakPolarHBondContact O-CB 2.85Å; I424-V428 VanDerWaalsContact O-CG2 3.29Å; I424-V428 WeakPolarHBondContact O-CG2 3.32Å; I424-V428 PolarHBondContact O-N 3.35Å; Q425-V428 PolarHBondContact O-N 2.99Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 2.69Å; V428-A431 PolarHBondContact O-N 2.94Å; V428-A431 VanDerWaalsContact O-N 3.14Å; V428-V432 HydrophobicContact CG1-CG2 4.18Å; V428-V432 WeakPolarHBondContact O-CB 2.83Å; V428-V432 WeakPolarHBondContact O-CG2 3.31Å; V428-V432 PolarHBondContact O-N 2.91Å; V428-L438 HydrophobicContact CG1-CD2 3.53Å; V428-M455 HydrophobicContact CB-SD 4.43Å; V428-M455 HydrophobicContact CG1-CG 4.16Å; V428-M455 HydrophobicContact CG1-SD 4.39Å; V428-M455 HydrophobicContact CG2-SD 4.09Å
429	R	94.9	Very high	94.1	Very high	110 Å²	110	53.5 Å²	53.5	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-56.2	-45.7	176.3	-176.3	-176.7	68	-153.3	0.8	111.9	Q425 A431 G433 E458 N459	Q425-R429 WeakPolarHBondContact O-CB 3.41Å; Q425-R429 PolarHBondContact O-N 3.47Å; R429-A431 VanDerWaalsContact C-N 3.34Å; R429-G433 PolarHBondContact O-N 3.43Å; R429-E458 IonicContact NH1-OE1 2.69Å; R429-E458 IonicContact NH1-OE2 3.57Å; R429-N459 WeakPolarHBondContact CA-OD1 3.43Å
430	S	95.9	Very high	94.4	Very high	88 Å²	88	50 Å²	50	62%	0.615	26%	0.263	S	S	*	.	H	α-helix	trans	-66.6	-37.1	179.2	-56.1	0	0	0	0	112	E426 N427 V428	E426-S430 VanDerWaalsContact O-CB 3.29Å; E426-S430 WeakPolarHBondContact O-CB 3.26Å; E426-S430 PolarHBondContact O-N 2.98Å; E426-S430 PolarHBondContact O-OG 3Å; N427-S430 PolarHBondContact O-N 3.3Å; V428-S430 VanDerWaalsContact C-N 3.31Å; V428-S430 PolarHBondContact O-N 2.69Å
431	A	96.2	Very high	94.6	Very high	19 Å²	19	45.9 Å²	45.9	16%	0.157	24%	0.241	C	C	.	.	H	α-helix	trans	-72.4	-47.5	179.1	0	0	0	0	0	111.9	L383 V386 K390 N427 V428 R429 G433	L383-A431 HydrophobicContact CD2-CB 3.31Å; V386-A431 HydrophobicContact CB-CB 4.47Å; V386-A431 HydrophobicContact CG1-CB 4Å; V386-A431 WeakPolarHBondContact CG1-O 2.89Å; V386-A431 HydrophobicContact CG2-CB 4.5Å; K390-A431 WeakPolarHBondContact CE-O 3.25Å; K390-A431 PolarHBondContact NZ-O 3.47Å; N427-A431 VanDerWaalsContact O-CB 3.3Å; N427-A431 WeakPolarHBondContact O-CB 3.35Å; N427-A431 PolarHBondContact O-N 2.85Å; V428-A431 PolarHBondContact O-N 2.94Å; V428-A431 VanDerWaalsContact O-N 3.14Å; R429-A431 VanDerWaalsContact C-N 3.34Å; A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 3.26Å
432	V	94.3	Very high	94.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-42	178.5	168.2	0	0	0	0	110.9	V386 V428 G434 N435 M436 N459	V386-V432 HydrophobicContact CG2-CG2 3.78Å; V428-V432 HydrophobicContact CG1-CG2 4.18Å; V428-V432 WeakPolarHBondContact O-CB 2.83Å; V428-V432 WeakPolarHBondContact O-CG2 3.31Å; V428-V432 PolarHBondContact O-N 2.91Å; V432-G434 PolarHBondContact O-N 2.9Å; V432-N435 PolarHBondContact O-N 2.75Å; V432-M436 HydrophobicContact CG1-CB 3.98Å; V432-M436 VanDerWaalsContact CG1-O 3.27Å; V432-M436 WeakPolarHBondContact CG1-O 3.39Å; V432-N459 VanDerWaalsContact CB-OD1 3.24Å; V432-N459 WeakPolarHBondContact CB-OD1 3.47Å; V432-N459 HydrophobicContact CG1-CB 4.25Å; V432-N459 WeakPolarHBondContact CG1-OD1 2.85Å
433	G	88.9	Confident	94.8	Very high	47 Å²	47	34.5 Å²	34.5	49%	0.485	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	25.5	172.3	0	0	0	0	0	114.4	R429 A431 N435	R429-G433 PolarHBondContact O-N 3.43Å; A431-G433 VanDerWaalsContact C-N 3.33Å; A431-G433 PolarHBondContact O-N 3.26Å; G433-N435 VanDerWaalsContact C-N 3.28Å; G433-N435 PolarHBondContact O-N 2.62Å
434	G	87.3	Confident	94.5	Very high	32 Å²	32	29.4 Å²	29.4	33%	0.33	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	3.2	178.6	0	0	0	0	0	116.1	V432 K460	V432-G434 PolarHBondContact O-N 2.9Å; G434-K460 WeakPolarHBondContact O-CD 3.45Å; G434-K460 VanDerWaalsContact O-CE 3.27Å; G434-K460 WeakPolarHBondContact O-CE 3.47Å; G434-K460 PolarHBondContact O-NZ 2.88Å
435	N	87.3	Confident	93.9	Very high	129 Å²	129	31.6 Å²	31.6	69%	0.69	19%	0.185	S	C	*	.	S	Bend	trans	-100.7	-2.7	-174.7	-65	-21.7	0	0	0	114	V432 G433	V432-N435 PolarHBondContact O-N 2.75Å; G433-N435 VanDerWaalsContact C-N 3.28Å; G433-N435 PolarHBondContact O-N 2.62Å
436	M	93.8	Very high	93.5	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.034	20%	0.202	C	C	.	.	S	Bend	trans	-139.7	155.3	-176.5	-44.3	176.8	169.7	0	0	109.4	V386 L389 K390 D404 V432	V386-M436 HydrophobicContact CB-SD 4.42Å; V386-M436 HydrophobicContact CG1-CE 4.36Å; V386-M436 HydrophobicContact CG1-SD 4.01Å; V386-M436 HydrophobicContact CG2-SD 4.38Å; L389-M436 HydrophobicContact CB-CE 3.54Å; L389-M436 HydrophobicContact CB-SD 4.04Å; L389-M436 HydrophobicContact CD1-CE 4.43Å; L389-M436 HydrophobicContact CD1-SD 3.83Å; K390-M436 HydrophobicContact CG-CE 3.53Å; D404-M436 HydrophobicContact CB-CB 4.12Å; D404-M436 HydrophobicContact CB-CG 3.78Å; D404-M436 VanDerWaalsContact O-CA 3.32Å; D404-M436 WeakPolarHBondContact O-CA 3.19Å; V432-M436 HydrophobicContact CG1-CB 3.98Å; V432-M436 VanDerWaalsContact CG1-O 3.27Å; V432-M436 WeakPolarHBondContact CG1-O 3.39Å
437	S	95.8	Very high	93.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.6	171	-70.6	0	0	0	0	111.3	D404 M405 I406 N459 K460 Q510	D404-S437 PolarHBondContact O-N 3.08Å; M405-S437 CarbonylContact C-O 3.5Å; M405-S437 WeakPolarHBondContact CA-O 3.29Å; I406-S437 PolarHBondContact N-O 3.43Å; S437-N459 CarbonylContact C-O 3.51Å; S437-N459 VanDerWaalsContact CA-O 3.32Å; S437-N459 WeakPolarHBondContact CA-O 3.45Å; S437-K460 WeakPolarHBondContact CB-O 3.27Å; S437-K460 PolarHBondContact OG-O 2.81Å; S437-Q510 PolarHBondContact OG-NE2 3.27Å; S437-Q510 PolarHBondContact OG-OE1 3.47Å
438	L	97.4	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.6	173.2	175.5	62.7	0	0	0	110.4	V382 I406 L408 V428 M455 S456 N459 G461	V382-L438 HydrophobicContact CG1-CD1 4.43Å; V382-L438 HydrophobicContact CG1-CD2 4.33Å; I406-L438 HydrophobicContact CB-CD1 3.76Å; I406-L438 HydrophobicContact CG2-CD1 3.59Å; L408-L438 HydrophobicContact CB-CD1 4.35Å; V428-L438 HydrophobicContact CG1-CD2 3.53Å; L438-M455 HydrophobicContact CD2-CE 4.29Å; L438-M455 HydrophobicContact CD2-CG 3.79Å; L438-M455 HydrophobicContact CD2-SD 4.33Å; L438-S456 WeakPolarHBondContact O-CA 3.27Å; L438-S456 WeakPolarHBondContact O-CB 3.36Å; L438-N459 HydrophobicContact CB-CB 3.75Å; L438-N459 HydrophobicContact CD2-CB 4.49Å; L438-N459 PolarHBondContact N-O 2.73Å; L438-G461 WeakPolarHBondContact O-CA 3.4Å
439	F	97.6	Very high	92.3	Very high	3 Å²	3	31 Å²	31	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.1	173.2	-58.6	-81.8	0	0	0	110.1	M405 I406 I407 L408 L462 F479 V483 F512	M405-F439 HydrophobicContact CG-CE2 4.25Å; M405-F439 HydrophobicContact SD-CE2 4.34Å; I406-F439 PolarHBondContact O-N 2.84Å; I407-F439 WeakPolarHBondContact CA-O 3.49Å; I407-F439 HydrophobicContact CG1-CB 4.27Å; I407-F439 HydrophobicContact CG1-CD2 4.24Å; L408-F439 PolarHBondContact N-O 3.15Å; F439-L462 WeakPolarHBondContact CA-O 3.34Å; F439-L462 HydrophobicContact CD1-CG 4.04Å; F439-L462 HydrophobicContact CE1-CG 4.27Å; F439-F479 HydrophobicContact CB-CE1 4.44Å; F439-F479 HydrophobicContact CB-CZ 3.69Å; F439-F479 HydrophobicContact CD1-CE2 4.4Å; F439-F479 AromaticContact CD1-CZ 3.99Å; F439-F479 HydrophobicContact CD1-CZ 3.99Å; F439-F479 AromaticContact CG-CZ 3.98Å; F439-F479 HydrophobicContact CG-CZ 3.98Å; F439-V483 HydrophobicContact CD1-CG1 4.15Å; F439-V483 HydrophobicContact CE1-CB 4.44Å; F439-V483 HydrophobicContact CE1-CG1 3.75Å; F439-V483 HydrophobicContact CZ-CB 4.33Å; F439-V483 HydrophobicContact CZ-CG1 4.1Å; F439-F512 HydrophobicContact CZ-CE2 4.43Å; F439-F512 AromaticContact CZ-CZ 3.93Å; F439-F512 HydrophobicContact CZ-CZ 3.93Å
440	C	97.4	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.4	-179.7	-59.3	0	0	0	0	112.1	L408 L452 M455 S456 L462 A463 R464	L408-C440 CarbonylContact O-C 3.59Å; C440-L452 HydrophobicContact CB-CB 3.81Å; C440-L452 HydrophobicContact CB-CD1 4.41Å; C440-L452 HydrophobicContact CB-CD2 4.16Å; C440-L452 HydrophobicContact CB-CG 4.35Å; C440-M455 WeakPolarHBondContact SG-CE 3.38Å; C440-S456 WeakPolarHBondContact CB-OG 3.42Å; C440-S456 PolarHBondContact N-OG 2.87Å; C440-S456 PolarHBondContact SG-OG 2.87Å; C440-L462 PolarHBondContact N-O 3.44Å; C440-A463 HydrophobicContact CB-CB 4.38Å; C440-A463 CarbonylContact O-C 3.57Å; C440-A463 WeakPolarHBondContact O-CA 3.38Å; C440-R464 PolarHBondContact O-N 2.97Å
441	L	97.4	Very high	91.9	Very high	7 Å²	7	24 Å²	24	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	178	-56.2	178.9	0	0	0	108.5	I407 L408 L409 T410 R464 I466 L476 F479	I407-L441 HydrophobicContact CG2-CD1 3.8Å; I407-L441 HydrophobicContact CG2-CG 4.3Å; L408-L441 WeakPolarHBondContact O-CB 3.46Å; L408-L441 PolarHBondContact O-N 2.99Å; L409-L441 WeakPolarHBondContact CA-O 3.43Å; L409-L441 HydrophobicContact CB-CB 4.32Å; L409-L441 HydrophobicContact CD1-CB 3.5Å; L409-L441 HydrophobicContact CD1-CD1 4.42Å; T410-L441 PolarHBondContact N-O 3.14Å; L441-R464 WeakPolarHBondContact CA-O 3.25Å; L441-R464 HydrophobicContact CD2-CB 3.71Å; L441-I466 HydrophobicContact CB-CG1 4.28Å; L441-L476 HydrophobicContact CD1-CD2 3.72Å; L441-F479 HydrophobicContact CD1-CD1 3.73Å; L441-F479 HydrophobicContact CD1-CE1 3.91Å; L441-F479 HydrophobicContact CD2-CD1 3.52Å; L441-F479 HydrophobicContact CD2-CD2 3.81Å; L441-F479 HydrophobicContact CD2-CE1 3.67Å; L441-F479 HydrophobicContact CD2-CE2 3.93Å; L441-F479 HydrophobicContact CD2-CG 3.62Å; L441-F479 HydrophobicContact CD2-CZ 3.89Å; L441-F479 HydrophobicContact CG-CD1 4.17Å; L441-F479 HydrophobicContact CG-CE1 4.12Å
442	G	95.8	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.1	176	0	0	0	0	0	110.3	T410 R464 R465 I466	T410-G442 CarbonylContact O-C 3.55Å; T410-G442 WeakPolarHBondContact O-CA 3.39Å; G442-R464 PolarHBondContact N-O 2.92Å; G442-R465 WeakPolarHBondContact O-CA 3.36Å; G442-I466 PolarHBondContact O-N 2.82Å
443	F	94.6	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.5	179.8	-152.7	148.5	0	0	0	110	M311 K315 Q318 T319 L409 T410 D411 I466 E468 A472 L476	M311-F443 HydrophobicContact CE-CD1 4.43Å; K315-F443 HydrophobicContact CB-CE1 4.38Å; K315-F443 HydrophobicContact CB-CZ 4.34Å; K315-F443 HydrophobicContact CD-CD2 4.19Å; K315-F443 HydrophobicContact CD-CE2 4.5Å; K315-F443 HydrophobicContact CG-CD2 4.03Å; K315-F443 HydrophobicContact CG-CE2 3.85Å; K315-F443 HydrophobicContact CG-CG 4.47Å; K315-F443 HydrophobicContact CG-CZ 4.11Å; Q318-F443 HydrophobicContact CB-CZ 4.28Å; T319-F443 WeakPolarHBondContact OG1-CE1 3.35Å; L409-F443 HydrophobicContact CD1-CB 4.12Å; L409-F443 HydrophobicContact CD1-CD1 4.11Å; T410-F443 PolarHBondContact O-N 2.81Å; D411-F443 VanDerWaalsContact CA-O 3.24Å; D411-F443 WeakPolarHBondContact CA-O 3.24Å; D411-F443 HydrophobicContact CB-CB 4.1Å; D411-F443 WeakPolarHBondContact CB-O 3.48Å; F443-I466 HydrophobicContact CD1-CG2 4.35Å; F443-I466 HydrophobicContact CD2-CB 4.3Å; F443-I466 HydrophobicContact CD2-CG2 4.01Å; F443-I466 HydrophobicContact CE1-CG2 4.33Å; F443-I466 HydrophobicContact CE2-CG2 3.98Å; F443-I466 HydrophobicContact CG-CB 4.29Å; F443-I466 HydrophobicContact CG-CG2 4.19Å; F443-I466 HydrophobicContact CZ-CG2 4.15Å; F443-E468 HydrophobicContact CD2-CG 3.86Å; F443-E468 HydrophobicContact CE2-CG 3.82Å; F443-A472 HydrophobicContact CE2-CB 3.93Å; F443-A472 HydrophobicContact CZ-CB 3.6Å; F443-L476 HydrophobicContact CE1-CD1 4.3Å
444	G	88.3	Confident	91.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	83.3	-158.6	179.3	0	0	0	0	0	113.2	R465 I466 E468	G444-R465 VanDerWaalsContact O-CZ 3.23Å; G444-R465 PolarHBondContact O-NH2 2.85Å; G444-I466 PolarHBondContact N-O 2.81Å; G444-E468 WeakPolarHBondContact CA-OE1 3.23Å
445	N	85.4	Confident	92.3	Very high	45 Å²	45	20.6 Å²	20.6	24%	0.241	11%	0.108	C	C	.	.	S	Bend	trans	-113.9	1	-172.4	-74.2	-25.6	0	0	0	113.8	R465 E646 R647	N445-R465 PolarHBondContact OD1-NH1 2.86Å; N445-E646 PolarHBondContact ND2-OE2 2.78Å; N445-E646 PolarHBondContact OD1-OE2 3.22Å; N445-R647 PolarHBondContact O-NH2 2.74Å
446	D	85.2	Confident	92.6	Very high	87 Å²	87	14.4 Å²	14.4	47%	0.465	8%	0.075	S	C	.	.	S	Bend	trans	-81.9	-26.8	-176.1	-64.7	-32.9	0	0	0	112.1	D411 R647	D411-D446 CarbonylContact O-C 3.5Å; D411-D446 VanDerWaalsContact O-CB 3.3Å; D411-D446 WeakPolarHBondContact O-CB 3.13Å; D446-R647 PolarHBondContact O-NH2 3.47Å
447	V	86.6	Confident	92.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-82.6	138.5	170.2	68.5	0	0	0	0	112.6	T410 D411 M413 Y449 L452 R465 Q643	T410-V447 HydrophobicContact CG2-CG2 4.32Å; D411-V447 PolarHBondContact O-N 3.41Å; D411-V447 VanDerWaalsContact O-N 3.17Å; M413-V447 HydrophobicContact SD-CG2 4.3Å; V447-Y449 PolarHBondContact O-N 3.13Å; V447-L452 HydrophobicContact CG1-CD1 4.05Å; V447-L452 HydrophobicContact CG2-CD1 3.77Å; V447-L452 HydrophobicContact CG2-CD2 4.48Å; V447-L452 HydrophobicContact CG2-CG 4.03Å; V447-R465 PolarHBondContact O-NH2 2.91Å; V447-Q643 PolarHBondContact O-NE2 2.93Å
448	D	88.1	Confident	92.3	Very high	40 Å²	40	20 Å²	20	21%	0.214	10%	0.1	C	C	.	.			trans	-65.5	112.6	166.7	-177.1	-13	0	0	0	108.9	M413 N450 F451	M413-D448 HydrophobicContact CE-CB 3.83Å; M413-D448 HydrophobicContact SD-CB 3.52Å; M413-D448 VanDerWaalsContact SD-CB 3.52Å; M413-D448 PolarHBondContact SD-N 3Å; D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.45Å; D448-N450 PolarHBondContact OD1-N 3.17Å; D448-F451 HydrophobicContact CB-CB 4.08Å; D448-F451 PolarHBondContact OD1-N 3.38Å
449	Y	89.6	Confident	92.2	Very high	34 Å²	34	20.1 Å²	20.1	13%	0.133	10%	0.1	C	C	.	.	H	α-helix	trans	-72.1	-33.4	-178	-173.9	-98	0	0	0	111.5	V447 F451 L452 D453 A463 R465 E639	V447-Y449 PolarHBondContact O-N 3.13Å; Y449-F451 VanDerWaalsContact C-N 3.28Å; Y449-F451 PolarHBondContact O-N 2.82Å; Y449-L452 PolarHBondContact O-N 3.47Å; Y449-L452 VanDerWaalsContact O-N 3.16Å; Y449-D453 HydrophobicContact CD1-CB 4.12Å; Y449-D453 HydrophobicContact CE1-CB 3.94Å; Y449-D453 VanDerWaalsContact O-CB 3.28Å; Y449-D453 WeakPolarHBondContact O-CB 3.43Å; Y449-D453 PolarHBondContact O-N 2.64Å; Y449-A463 HydrophobicContact CE2-CB 4.04Å; Y449-A463 VanDerWaalsContact OH-C 3.22Å; Y449-A463 PolarHBondContact OH-O 3.35Å; Y449-R465 HydrophobicContact CD2-CB 4.05Å; Y449-R465 HydrophobicContact CE2-CB 3.81Å; Y449-E639 HydrophobicContact CD1-CB 4.48Å; Y449-E639 HydrophobicContact CD1-CG 3.67Å; Y449-E639 HydrophobicContact CE1-CG 4.41Å; Y449-E639 HydrophobicContact CG-CG 4.1Å
450	N	89.7	Confident	92	Very high	49 Å²	49	22.8 Å²	22.8	26%	0.262	11%	0.112	S	C	.	.	H	α-helix	trans	-65	-37.3	-179.1	-173.3	41.2	0	0	0	110.7	D448 L452 D453 V454 E640	D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.45Å; D448-N450 PolarHBondContact OD1-N 3.17Å; N450-L452 PolarHBondContact O-N 3.04Å; N450-D453 PolarHBondContact O-N 2.8Å; N450-V454 WeakPolarHBondContact O-CB 3.28Å; N450-V454 WeakPolarHBondContact O-CG2 3.45Å; N450-V454 PolarHBondContact O-N 3.14Å; N450-E640 HydrophobicContact CB-CG 4.08Å; N450-E640 WeakPolarHBondContact CB-OE1 3.08Å; N450-E640 VanDerWaalsContact CG-OE1 3.3Å; N450-E640 PolarHBondContact ND2-OE1 3.3Å
451	F	93.3	Very high	91.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-53.3	-51.9	170.2	160.2	-125.9	0	0	0	112.3	I378 I421 I424 Q425 D448 Y449 M455	I378-F451 HydrophobicContact CD1-CE1 3.9Å; I378-F451 HydrophobicContact CD1-CZ 4.46Å; I378-F451 HydrophobicContact CG2-CZ 4.38Å; I421-F451 HydrophobicContact CB-CD2 4.29Å; I421-F451 HydrophobicContact CG2-CB 3.89Å; I421-F451 HydrophobicContact CG2-CD2 3.34Å; I421-F451 HydrophobicContact CG2-CE2 4.09Å; I421-F451 HydrophobicContact CG2-CG 3.82Å; I424-F451 HydrophobicContact CB-CE2 4.3Å; I424-F451 HydrophobicContact CD1-CZ 4.36Å; I424-F451 HydrophobicContact CG2-CE2 4.15Å; I424-F451 HydrophobicContact CG2-CZ 4.08Å; Q425-F451 HydrophobicContact CG-CD2 4.1Å; Q425-F451 HydrophobicContact CG-CE2 4.09Å; Q425-F451 PolarHBondContact NE2-O 3.42Å; Q425-F451 VanDerWaalsContact NE2-O 3.08Å; D448-F451 HydrophobicContact CB-CB 4.08Å; D448-F451 PolarHBondContact OD1-N 3.38Å; Y449-F451 VanDerWaalsContact C-N 3.28Å; Y449-F451 PolarHBondContact O-N 2.82Å; F451-M455 HydrophobicContact CE2-CE 4.5Å; F451-M455 HydrophobicContact CE2-SD 4Å; F451-M455 HydrophobicContact CZ-CE 4.16Å; F451-M455 HydrophobicContact CZ-SD 4.07Å; F451-M455 VanDerWaalsContact O-CB 3.3Å; F451-M455 WeakPolarHBondContact O-CB 3.25Å; F451-M455 PolarHBondContact O-N 3.15Å; F451-M455 VanDerWaalsContact O-N 3.08Å
452	L	95.3	Very high	91.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69.3	-37.7	-179.1	-63.3	-175.9	0	0	0	112.8	L408 T410 C440 V447 Y449 N450 M455 S456 A463	L408-L452 HydrophobicContact CD2-CD2 4.32Å; T410-L452 HydrophobicContact CG2-CD1 4.06Å; T410-L452 HydrophobicContact CG2-CD2 4.1Å; C440-L452 HydrophobicContact CB-CB 3.81Å; C440-L452 HydrophobicContact CB-CD1 4.41Å; C440-L452 HydrophobicContact CB-CD2 4.16Å; C440-L452 HydrophobicContact CB-CG 4.35Å; V447-L452 HydrophobicContact CG1-CD1 4.05Å; V447-L452 HydrophobicContact CG2-CD1 3.77Å; V447-L452 HydrophobicContact CG2-CD2 4.48Å; V447-L452 HydrophobicContact CG2-CG 4.03Å; Y449-L452 PolarHBondContact O-N 3.47Å; Y449-L452 VanDerWaalsContact O-N 3.16Å; N450-L452 PolarHBondContact O-N 3.04Å; L452-M455 HydrophobicContact CD2-CE 3.92Å; L452-M455 PolarHBondContact O-N 2.82Å; L452-S456 WeakPolarHBondContact O-CB 3.48Å; L452-S456 PolarHBondContact O-N 2.85Å; L452-S456 PolarHBondContact O-OG 2.77Å; L452-A463 HydrophobicContact CB-CB 4.45Å
453	D	92.5	Very high	91.4	Very high	14 Å²	14	26 Å²	26	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-64.1	-49.9	179.5	-172.3	46.3	0	0	0	111.3	Y449 N450 S456 K457 A463 K587	Y449-D453 HydrophobicContact CD1-CB 4.12Å; Y449-D453 HydrophobicContact CE1-CB 3.94Å; Y449-D453 VanDerWaalsContact O-CB 3.28Å; Y449-D453 WeakPolarHBondContact O-CB 3.43Å; Y449-D453 PolarHBondContact O-N 2.64Å; N450-D453 PolarHBondContact O-N 2.8Å; D453-S456 PolarHBondContact O-N 2.84Å; D453-K457 WeakPolarHBondContact O-CB 3.42Å; D453-K457 WeakPolarHBondContact O-CG 3.38Å; D453-K457 PolarHBondContact O-N 2.99Å; D453-K457 WeakPolarHBondContact OD1-CE 3.49Å; D453-K457 IonicContact OD1-NZ 2.79Å; D453-K457 PolarHBondContact OD1-NZ 3.39Å; D453-K457 IonicContact OD2-NZ 3.4Å; D453-K457 PolarHBondContact OD2-NZ 2.93Å; D453-A463 HydrophobicContact CB-CB 4.15Å; D453-K587 IonicContact OD2-NZ 3.15Å
454	V	92.1	Very high	91.3	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-61.6	-45.6	174.6	172	0	0	0	0	110.7	N450 S456 K457 E458	N450-V454 WeakPolarHBondContact O-CB 3.28Å; N450-V454 WeakPolarHBondContact O-CG2 3.45Å; N450-V454 PolarHBondContact O-N 3.14Å; V454-S456 VanDerWaalsContact C-N 3.31Å; V454-S456 PolarHBondContact O-N 2.98Å; V454-K457 PolarHBondContact O-N 2.79Å; V454-E458 HydrophobicContact CG1-CG 4.32Å; V454-E458 WeakPolarHBondContact O-CG 3.47Å; V454-E458 PolarHBondContact O-N 3.05Å
455	M	94.5	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-38	-179.9	-171.1	170.9	66.5	0	0	112.5	I378 L408 I424 Q425 V428 L438 C440 F451 L452 N459	I378-M455 HydrophobicContact CG2-CE 4.46Å; L408-M455 HydrophobicContact CD2-CE 3.61Å; I424-M455 HydrophobicContact CG2-SD 4.24Å; Q425-M455 HydrophobicContact CG-CB 4.16Å; V428-M455 HydrophobicContact CB-SD 4.43Å; V428-M455 HydrophobicContact CG1-CG 4.16Å; V428-M455 HydrophobicContact CG1-SD 4.39Å; V428-M455 HydrophobicContact CG2-SD 4.09Å; L438-M455 HydrophobicContact CD2-CE 4.29Å; L438-M455 HydrophobicContact CD2-CG 3.79Å; L438-M455 HydrophobicContact CD2-SD 4.33Å; C440-M455 WeakPolarHBondContact SG-CE 3.38Å; F451-M455 HydrophobicContact CE2-CE 4.5Å; F451-M455 HydrophobicContact CE2-SD 4Å; F451-M455 HydrophobicContact CZ-CE 4.16Å; F451-M455 HydrophobicContact CZ-SD 4.07Å; F451-M455 VanDerWaalsContact O-CB 3.3Å; F451-M455 WeakPolarHBondContact O-CB 3.25Å; F451-M455 PolarHBondContact O-N 3.15Å; F451-M455 VanDerWaalsContact O-N 3.08Å; L452-M455 HydrophobicContact CD2-CE 3.92Å; L452-M455 PolarHBondContact O-N 2.82Å; M455-N459 PolarHBondContact O-ND2 2.75Å
456	S	95	Very high	91.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.7	-44.2	177.4	-53.5	0	0	0	0	111.9	L438 C440 L452 D453 V454 E458 N459 K460 G461 L462	L438-S456 WeakPolarHBondContact O-CA 3.27Å; L438-S456 WeakPolarHBondContact O-CB 3.36Å; C440-S456 WeakPolarHBondContact CB-OG 3.42Å; C440-S456 PolarHBondContact N-OG 2.87Å; C440-S456 PolarHBondContact SG-OG 2.87Å; L452-S456 WeakPolarHBondContact O-CB 3.48Å; L452-S456 PolarHBondContact O-N 2.85Å; L452-S456 PolarHBondContact O-OG 2.77Å; D453-S456 PolarHBondContact O-N 2.84Å; V454-S456 VanDerWaalsContact C-N 3.31Å; V454-S456 PolarHBondContact O-N 2.98Å; S456-E458 PolarHBondContact O-N 3.1Å; S456-N459 CarbonylContact O-C 3.59Å; S456-N459 VanDerWaalsContact O-C 3.23Å; S456-N459 WeakPolarHBondContact O-CA 3.29Å; S456-N459 PolarHBondContact O-N 2.98Å; S456-K460 PolarHBondContact O-N 2.86Å; S456-G461 CarbonylContact C-O 3.6Å; S456-G461 CarbonylContact O-C 3.56Å; S456-G461 PolarHBondContact O-N 2.86Å; S456-L462 VanDerWaalsContact CB-C 3.48Å
457	K	91.3	Very high	92	Very high	68 Å²	68	25.4 Å²	25.4	30%	0.296	12%	0.122	S	C	.	.	H	α-helix	trans	-65.6	-38.4	-178.2	-76.3	170.6	176.4	162.6	0	113.2	D453 V454 N459 E584 T588	D453-K457 WeakPolarHBondContact O-CB 3.42Å; D453-K457 WeakPolarHBondContact O-CG 3.38Å; D453-K457 PolarHBondContact O-N 2.99Å; D453-K457 WeakPolarHBondContact OD1-CE 3.49Å; D453-K457 IonicContact OD1-NZ 2.79Å; D453-K457 PolarHBondContact OD1-NZ 3.39Å; D453-K457 IonicContact OD2-NZ 3.4Å; D453-K457 PolarHBondContact OD2-NZ 2.93Å; V454-K457 PolarHBondContact O-N 2.79Å; K457-N459 PolarHBondContact O-N 2.56Å; K457-N459 VanDerWaalsContact O-N 3.15Å; K457-E584 WeakPolarHBondContact CE-OE2 3.39Å; K457-E584 VanDerWaalsContact NZ-CD 3.27Å; K457-E584 IonicContact NZ-OE1 3.72Å; K457-E584 IonicContact NZ-OE2 3.57Å; K457-E584 PolarHBondContact NZ-OE2 2.66Å; K457-T588 HydrophobicContact CB-CG2 4.35Å
458	E	91.5	Very high	92	Very high	57 Å²	57	30.2 Å²	30.2	27%	0.266	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.7	173.4	-70.8	-168.2	163.8	0	0	113	R429 V454 S456	R429-E458 IonicContact NH1-OE1 2.69Å; R429-E458 IonicContact NH1-OE2 3.57Å; V454-E458 HydrophobicContact CG1-CG 4.32Å; V454-E458 WeakPolarHBondContact O-CG 3.47Å; V454-E458 PolarHBondContact O-N 3.05Å; S456-E458 PolarHBondContact O-N 3.1Å
459	N	94.6	Very high	92	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	43.3	-172.8	-66.3	-72.7	0	0	0	112.2	R429 V432 S437 L438 M455 S456 K457 G461	R429-N459 WeakPolarHBondContact CA-OD1 3.43Å; V432-N459 VanDerWaalsContact CB-OD1 3.24Å; V432-N459 WeakPolarHBondContact CB-OD1 3.47Å; V432-N459 HydrophobicContact CG1-CB 4.25Å; V432-N459 WeakPolarHBondContact CG1-OD1 2.85Å; S437-N459 CarbonylContact C-O 3.51Å; S437-N459 VanDerWaalsContact CA-O 3.32Å; S437-N459 WeakPolarHBondContact CA-O 3.45Å; L438-N459 HydrophobicContact CB-CB 3.75Å; L438-N459 HydrophobicContact CD2-CB 4.49Å; L438-N459 PolarHBondContact N-O 2.73Å; M455-N459 PolarHBondContact O-ND2 2.75Å; S456-N459 CarbonylContact O-C 3.59Å; S456-N459 VanDerWaalsContact O-C 3.23Å; S456-N459 WeakPolarHBondContact O-CA 3.29Å; S456-N459 PolarHBondContact O-N 2.98Å; K457-N459 PolarHBondContact O-N 2.56Å; K457-N459 VanDerWaalsContact O-N 3.15Å; N459-G461 PolarHBondContact O-N 2.95Å
460	K	93.3	Very high	91.7	Very high	60 Å²	60	34.2 Å²	34.2	26%	0.261	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29.8	170.8	-62.8	179.5	164	-172.1	0	114.6	G434 S437 S456 E490 P509	G434-K460 WeakPolarHBondContact O-CD 3.45Å; G434-K460 VanDerWaalsContact O-CE 3.27Å; G434-K460 WeakPolarHBondContact O-CE 3.47Å; G434-K460 PolarHBondContact O-NZ 2.88Å; S437-K460 WeakPolarHBondContact CB-O 3.27Å; S437-K460 PolarHBondContact OG-O 2.81Å; S456-K460 PolarHBondContact O-N 2.86Å; K460-E490 VanDerWaalsContact NZ-CD 3.32Å; K460-E490 IonicContact NZ-OE1 3.8Å; K460-E490 PolarHBondContact NZ-OE1 2.5Å; K460-E490 IonicContact NZ-OE2 3.19Å; K460-E490 PolarHBondContact NZ-OE2 3.45Å; K460-P509 HydrophobicContact CB-CB 3.88Å; K460-P509 HydrophobicContact CB-CG 3.97Å; K460-P509 HydrophobicContact CD-CB 3.98Å; K460-P509 HydrophobicContact CD-CG 4.29Å; K460-P509 HydrophobicContact CG-CB 3.94Å; K460-P509 HydrophobicContact CG-CG 3.82Å
461	G	92.7	Very high	91.6	Very high	15 Å²	15	34.4 Å²	34.4	16%	0.155	18%	0.184	C	C	.	.			trans	-136.8	-171.5	178.5	0	0	0	0	0	112.8	L438 S456 N459	L438-G461 WeakPolarHBondContact O-CA 3.4Å; S456-G461 CarbonylContact C-O 3.6Å; S456-G461 CarbonylContact O-C 3.56Å; S456-G461 PolarHBondContact O-N 2.86Å; N459-G461 PolarHBondContact O-N 2.95Å
462	L	91.9	Very high	91.4	Very high	52 Å²	52	34.3 Å²	34.3	27%	0.272	18%	0.183	S	C	.	.			trans	-131.4	150.4	179.6	73.1	87.1	0	0	0	110.9	F439 C440 S456 R464 F479	F439-L462 WeakPolarHBondContact CA-O 3.34Å; F439-L462 HydrophobicContact CD1-CG 4.04Å; F439-L462 HydrophobicContact CE1-CG 4.27Å; C440-L462 PolarHBondContact N-O 3.44Å; S456-L462 VanDerWaalsContact CB-C 3.48Å; L462-R464 HydrophobicContact CD1-CB 4.43Å; L462-F479 HydrophobicContact CD1-CD2 4.21Å; L462-F479 HydrophobicContact CD1-CE2 3.64Å; L462-F479 HydrophobicContact CG-CE2 4.3Å
463	A	93.4	Very high	91.1	Very high	6 Å²	6	35.6 Å²	35.6	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	150.4	169.4	0	0	0	0	0	111.1	C440 Y449 L452 D453	C440-A463 HydrophobicContact CB-CB 4.38Å; C440-A463 CarbonylContact O-C 3.57Å; C440-A463 WeakPolarHBondContact O-CA 3.38Å; Y449-A463 HydrophobicContact CE2-CB 4.04Å; Y449-A463 VanDerWaalsContact OH-C 3.22Å; Y449-A463 PolarHBondContact OH-O 3.35Å; L452-A463 HydrophobicContact CB-CB 4.45Å; D453-A463 HydrophobicContact CB-CB 4.15Å
464	R	93.6	Very high	91	Very high	76 Å²	76	39.5 Å²	39.5	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.6	171.4	-171.1	61.7	57.1	108.2	10.2	110.5	C440 L441 G442 L462 I466 F479 E482	C440-R464 PolarHBondContact O-N 2.97Å; L441-R464 WeakPolarHBondContact CA-O 3.25Å; L441-R464 HydrophobicContact CD2-CB 3.71Å; G442-R464 PolarHBondContact N-O 2.92Å; L462-R464 HydrophobicContact CD1-CB 4.43Å; R464-I466 HydrophobicContact CG-CD1 4.28Å; R464-F479 HydrophobicContact CB-CD2 3.87Å; R464-F479 HydrophobicContact CB-CE2 4.39Å; R464-F479 HydrophobicContact CG-CD2 4.3Å; R464-E482 IonicContact CZ-OE2 3.31Å; R464-E482 IonicContact NH1-OE2 3.5Å; R464-E482 IonicContact NH2-OE1 3.59Å; R464-E482 IonicContact NH2-OE2 3.29Å; R464-E482 PolarHBondContact NH2-OE2 2.86Å
465	R	92.1	Very high	91	Very high	11 Å²	11	40.1 Å²	40.1	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.4	172.1	-179.7	151.2	-78.3	-141.6	-20.7	109.5	G442 G444 N445 V447 Y449 F467 E639	G442-R465 WeakPolarHBondContact O-CA 3.36Å; G444-R465 VanDerWaalsContact O-CZ 3.23Å; G444-R465 PolarHBondContact O-NH2 2.85Å; N445-R465 PolarHBondContact OD1-NH1 2.86Å; V447-R465 PolarHBondContact O-NH2 2.91Å; Y449-R465 HydrophobicContact CD2-CB 4.05Å; Y449-R465 HydrophobicContact CE2-CB 3.81Å; R465-F467 HydrophobicContact CB-CE2 4.26Å; R465-F467 HydrophobicContact CG-CD2 4.24Å; R465-F467 HydrophobicContact CG-CE1 4.47Å; R465-F467 HydrophobicContact CG-CE2 3.98Å; R465-F467 HydrophobicContact CG-CZ 4.11Å; R465-E639 IonicContact NE-OE1 2.73Å; R465-E639 IonicContact NH1-OE1 3.33Å
466	I	93.1	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116	174.3	-53.2	-60.6	0	0	0	107.1	L441 G442 F443 G444 R464 A472 Q475 L476	L441-I466 HydrophobicContact CB-CG1 4.28Å; G442-I466 PolarHBondContact O-N 2.82Å; F443-I466 HydrophobicContact CD1-CG2 4.35Å; F443-I466 HydrophobicContact CD2-CB 4.3Å; F443-I466 HydrophobicContact CD2-CG2 4.01Å; F443-I466 HydrophobicContact CE1-CG2 4.33Å; F443-I466 HydrophobicContact CE2-CG2 3.98Å; F443-I466 HydrophobicContact CG-CB 4.29Å; F443-I466 HydrophobicContact CG-CG2 4.19Å; F443-I466 HydrophobicContact CZ-CG2 4.15Å; G444-I466 PolarHBondContact N-O 2.81Å; R464-I466 HydrophobicContact CG-CD1 4.28Å; I466-A472 HydrophobicContact CG2-CB 4Å; I466-Q475 HydrophobicContact CD1-CB 4.02Å; I466-Q475 HydrophobicContact CG2-CB 4.34Å; I466-L476 HydrophobicContact CD1-CD2 3.8Å; I466-L476 HydrophobicContact CD1-CG 4.16Å; I466-L476 HydrophobicContact CG1-CD2 3.65Å; I466-L476 HydrophobicContact CG1-CG 4.24Å; I466-L476 HydrophobicContact CG2-CD2 4.31Å; I466-L476 HydrophobicContact CG2-CG 4.07Å
467	F	88.1	Confident	90.7	Very high	34 Å²	34	42.2 Å²	42.2	15%	0.149	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-86.1	135.3	-175.7	-66.8	-100.3	0	0	0	110.6	R149 R465 A469 Q475	R149-F467 HydrophobicContact CB-CD2 4.11Å; R149-F467 HydrophobicContact CB-CE1 4.35Å; R149-F467 HydrophobicContact CB-CE2 3.61Å; R149-F467 HydrophobicContact CB-CZ 3.75Å; R149-F467 HydrophobicContact CG-CD1 3.85Å; R149-F467 HydrophobicContact CG-CD2 3.55Å; R149-F467 HydrophobicContact CG-CE1 3.8Å; R149-F467 HydrophobicContact CG-CE2 3.53Å; R149-F467 HydrophobicContact CG-CG 3.72Å; R149-F467 HydrophobicContact CG-CZ 3.65Å; R465-F467 HydrophobicContact CB-CE2 4.26Å; R465-F467 HydrophobicContact CG-CD2 4.24Å; R465-F467 HydrophobicContact CG-CE1 4.47Å; R465-F467 HydrophobicContact CG-CE2 3.98Å; R465-F467 HydrophobicContact CG-CZ 4.11Å; F467-A469 VanDerWaalsContact C-N 3.28Å; F467-A469 PolarHBondContact O-N 3.3Å; F467-Q475 PolarHBondContact O-NE2 2.79Å
468	E	87.3	Confident	90.6	Very high	102 Å²	102	42.9 Å²	42.9	48%	0.477	23%	0.23	S	C	.	.	S	Bend	trans	-67.8	78.4	176.6	-66.5	177.4	-112.9	0	0	111.9	K315 F443 G444	K315-E468 HydrophobicContact CD-CG 4.02Å; K315-E468 HydrophobicContact CG-CG 4.06Å; F443-E468 HydrophobicContact CD2-CG 3.86Å; F443-E468 HydrophobicContact CE2-CG 3.82Å; G444-E468 WeakPolarHBondContact CA-OE1 3.23Å
469	A	86.4	Confident	90.7	Very high	38 Å²	38	40.3 Å²	40.3	31%	0.314	22%	0.218	S	C	.	.	S	Bend	trans	-140.7	-178.9	171.8	0	0	0	0	0	110.9	Q318 F467 D471 A472	Q318-A469 PolarHBondContact NE2-O 2.84Å; F467-A469 VanDerWaalsContact C-N 3.28Å; F467-A469 PolarHBondContact O-N 3.3Å; A469-D471 PolarHBondContact O-N 2.82Å; A469-D471 VanDerWaalsContact O-N 3.08Å; A469-A472 PolarHBondContact O-N 3.3Å
470	S	85.1	Confident	90.7	Very high	120 Å²	120	40.3 Å²	40.3	84%	0.839	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.1	-176.3	52.7	0	0	0	0	114.5
471	D	86.7	Confident	90.6	Very high	52 Å²	52	41.9 Å²	41.9	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.7	-177.2	70.1	-24.6	0	0	0	113.9	R149 A469 T473 L474 Q475	R149-D471 IonicContact CZ-OD1 3.2Å; R149-D471 IonicContact CZ-OD2 3.96Å; R149-D471 IonicContact NH1-OD1 2.94Å; R149-D471 PolarHBondContact NH1-OD1 2.89Å; R149-D471 IonicContact NH1-OD2 2.84Å; R149-D471 PolarHBondContact NH1-OD2 3.2Å; R149-D471 IonicContact NH2-OD1 3.99Å; R149-D471 PolarHBondContact NH2-OD1 2.88Å; R149-D471 IonicContact NH2-OD2 2.64Å; A469-D471 PolarHBondContact O-N 2.82Å; A469-D471 VanDerWaalsContact O-N 3.08Å; D471-T473 PolarHBondContact O-N 2.63Å; D471-L474 HydrophobicContact CB-CD1 4.31Å; D471-L474 WeakPolarHBondContact O-CB 3.33Å; D471-L474 PolarHBondContact O-N 2.81Å; D471-Q475 PolarHBondContact O-N 3.44Å; D471-Q475 PolarHBondContact OD1-NE2 2.82Å; D471-Q475 VanDerWaalsContact OD1-NE2 3.12Å
472	A	88.3	Confident	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-34.5	178.5	0	0	0	0	0	113.2	Q318 F443 I466 A469 L474 Q475 L476	Q318-A472 HydrophobicContact CB-CB 4.42Å; F443-A472 HydrophobicContact CE2-CB 3.93Å; F443-A472 HydrophobicContact CZ-CB 3.6Å; I466-A472 HydrophobicContact CG2-CB 4Å; A469-A472 PolarHBondContact O-N 3.3Å; A472-L474 PolarHBondContact O-N 2.69Å; A472-Q475 PolarHBondContact O-N 2.76Å; A472-L476 WeakPolarHBondContact O-CG 3.35Å; A472-L476 PolarHBondContact O-N 2.87Å; A472-L476 VanDerWaalsContact O-N 3.08Å
473	T	90.1	Very high	90.7	Very high	27 Å²	27	40.2 Å²	40.2	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-44.3	173.4	-53.2	0	0	0	0	111.9	D321 A322 D471 L476 Q477	D321-T473 HydrophobicContact CB-CG2 4.02Å; A322-T473 HydrophobicContact CB-CG2 4.06Å; D471-T473 PolarHBondContact O-N 2.63Å; T473-L476 PolarHBondContact O-N 2.83Å; T473-Q477 WeakPolarHBondContact O-CG 3.34Å; T473-Q477 PolarHBondContact O-N 2.96Å; T473-Q477 VanDerWaalsContact O-N 3.12Å
474	L	89.9	Confident	90.6	Very high	96 Å²	96	40.4 Å²	40.4	50%	0.503	22%	0.215	S	C	.	.	H	α-helix	trans	-67.5	-41.8	177	-64.1	173.5	0	0	0	111	D471 A472 L476 Q477 D478	D471-L474 HydrophobicContact CB-CD1 4.31Å; D471-L474 WeakPolarHBondContact O-CB 3.33Å; D471-L474 PolarHBondContact O-N 2.81Å; A472-L474 PolarHBondContact O-N 2.69Å; L474-L476 PolarHBondContact O-N 2.8Å; L474-Q477 PolarHBondContact O-N 3.22Å; L474-Q477 VanDerWaalsContact O-N 3.1Å; L474-D478 WeakPolarHBondContact O-CB 3.43Å; L474-D478 VanDerWaalsContact O-CG 3.26Å; L474-D478 PolarHBondContact O-N 3.03Å
475	Q	91.3	Very high	90.6	Very high	26 Å²	26	38.5 Å²	38.5	12%	0.121	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-37.7	176.5	-67.7	172.9	72.2	0	0	112.7	R149 I466 F467 D471 A472 F479	R149-Q475 VanDerWaalsContact CZ-NE2 3.28Å; R149-Q475 VanDerWaalsContact NH1-CD 3.25Å; I466-Q475 HydrophobicContact CD1-CB 4.02Å; I466-Q475 HydrophobicContact CG2-CB 4.34Å; F467-Q475 PolarHBondContact O-NE2 2.79Å; D471-Q475 PolarHBondContact O-N 3.44Å; D471-Q475 PolarHBondContact OD1-NE2 2.82Å; D471-Q475 VanDerWaalsContact OD1-NE2 3.12Å; A472-Q475 PolarHBondContact O-N 2.76Å; Q475-F479 WeakPolarHBondContact O-CB 3.39Å; Q475-F479 PolarHBondContact O-N 3.42Å
476	L	91.2	Very high	90.8	Very high	4 Å²	4	38 Å²	38	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-71.1	-40.5	176.5	-72.9	167.3	0	0	0	112	A322 L409 L441 F443 I466 A472 T473 L474 Y480	A322-L476 HydrophobicContact CB-CB 3.59Å; A322-L476 HydrophobicContact CB-CD1 3.45Å; A322-L476 VanDerWaalsContact CB-CD1 3.45Å; A322-L476 HydrophobicContact CB-CG 4.15Å; L409-L476 HydrophobicContact CD1-CD2 3.93Å; L441-L476 HydrophobicContact CD1-CD2 3.72Å; F443-L476 HydrophobicContact CE1-CD1 4.3Å; I466-L476 HydrophobicContact CD1-CD2 3.8Å; I466-L476 HydrophobicContact CD1-CG 4.16Å; I466-L476 HydrophobicContact CG1-CD2 3.65Å; I466-L476 HydrophobicContact CG1-CG 4.24Å; I466-L476 HydrophobicContact CG2-CD2 4.31Å; I466-L476 HydrophobicContact CG2-CG 4.07Å; A472-L476 WeakPolarHBondContact O-CG 3.35Å; A472-L476 PolarHBondContact O-N 2.87Å; A472-L476 VanDerWaalsContact O-N 3.08Å; T473-L476 PolarHBondContact O-N 2.83Å; L474-L476 PolarHBondContact O-N 2.8Å; L476-Y480 PolarHBondContact O-N 2.75Å; L476-Y480 VanDerWaalsContact O-N 3.09Å
477	Q	91.9	Very high	90.9	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-51.6	176.4	-72	168.7	-6.7	0	0	111.1	A325 T473 L474 F479 Y480 E481	A325-Q477 HydrophobicContact CB-CG 4.16Å; T473-Q477 WeakPolarHBondContact O-CG 3.34Å; T473-Q477 PolarHBondContact O-N 2.96Å; T473-Q477 VanDerWaalsContact O-N 3.12Å; L474-Q477 PolarHBondContact O-N 3.22Å; L474-Q477 VanDerWaalsContact O-N 3.1Å; Q477-F479 VanDerWaalsContact C-N 3.27Å; Q477-F479 PolarHBondContact O-N 3.2Å; Q477-Y480 CarbonylContact O-C 3.59Å; Q477-Y480 WeakPolarHBondContact O-CA 3.41Å; Q477-Y480 WeakPolarHBondContact O-CB 3.32Å; Q477-Y480 PolarHBondContact O-N 3.24Å; Q477-E481 PolarHBondContact O-N 2.85Å
478	D	90.6	Very high	91.2	Very high	81 Å²	81	37.1 Å²	37.1	43%	0.433	21%	0.208	S	C	.	.	H	α-helix	trans	-55.9	-41.9	177.8	-68.6	-4.8	0	0	0	111.6	L474 E481 E482	L474-D478 WeakPolarHBondContact O-CB 3.43Å; L474-D478 VanDerWaalsContact O-CG 3.26Å; L474-D478 PolarHBondContact O-N 3.03Å; D478-E481 PolarHBondContact O-N 3.28Å; D478-E482 PolarHBondContact O-N 3.32Å; D478-E482 VanDerWaalsContact O-N 3.13Å
479	F	93.3	Very high	91.5	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-61.5	-46.7	174.6	164.9	-92.6	0	0	0	111.3	I407 F439 L441 L462 R464 Q475 Q477 E482 V483	I407-F479 HydrophobicContact CD1-CE1 4.47Å; I407-F479 HydrophobicContact CG2-CE1 4.22Å; F439-F479 HydrophobicContact CB-CE1 4.44Å; F439-F479 HydrophobicContact CB-CZ 3.69Å; F439-F479 HydrophobicContact CD1-CE2 4.4Å; F439-F479 AromaticContact CD1-CZ 3.99Å; F439-F479 HydrophobicContact CD1-CZ 3.99Å; F439-F479 AromaticContact CG-CZ 3.98Å; F439-F479 HydrophobicContact CG-CZ 3.98Å; L441-F479 HydrophobicContact CD1-CD1 3.73Å; L441-F479 HydrophobicContact CD1-CE1 3.91Å; L441-F479 HydrophobicContact CD2-CD1 3.52Å; L441-F479 HydrophobicContact CD2-CD2 3.81Å; L441-F479 HydrophobicContact CD2-CE1 3.67Å; L441-F479 HydrophobicContact CD2-CE2 3.93Å; L441-F479 HydrophobicContact CD2-CG 3.62Å; L441-F479 HydrophobicContact CD2-CZ 3.89Å; L441-F479 HydrophobicContact CG-CD1 4.17Å; L441-F479 HydrophobicContact CG-CE1 4.12Å; L462-F479 HydrophobicContact CD1-CD2 4.21Å; L462-F479 HydrophobicContact CD1-CE2 3.64Å; L462-F479 HydrophobicContact CG-CE2 4.3Å; R464-F479 HydrophobicContact CB-CD2 3.87Å; R464-F479 HydrophobicContact CB-CE2 4.39Å; R464-F479 HydrophobicContact CG-CD2 4.3Å; Q475-F479 WeakPolarHBondContact O-CB 3.39Å; Q475-F479 PolarHBondContact O-N 3.42Å; Q477-F479 VanDerWaalsContact C-N 3.27Å; Q477-F479 PolarHBondContact O-N 3.2Å; F479-E482 WeakPolarHBondContact O-CB 3.18Å; F479-E482 PolarHBondContact O-N 2.91Å; F479-V483 HydrophobicContact CE1-CG2 4Å; F479-V483 HydrophobicContact CE2-CG1 4.27Å; F479-V483 HydrophobicContact CZ-CG1 4.21Å; F479-V483 HydrophobicContact CZ-CG2 3.95Å; F479-V483 PolarHBondContact O-N 2.74Å
480	Y	93.6	Very high	91.9	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.9	176.2	-105.5	0	0	0	111	K299 F303 I326 D329 L330 I407 L476 Q477 E482 V483 A484	K299-Y480 VanDerWaalsContact CE-OH 3.23Å; K299-Y480 WeakPolarHBondContact CE-OH 2.86Å; K299-Y480 PolarHBondContact NZ-OH 3.2Å; F303-Y480 HydrophobicContact CE1-CD2 4.42Å; F303-Y480 HydrophobicContact CE1-CE2 4.27Å; F303-Y480 HydrophobicContact CZ-CE2 4.13Å; I326-Y480 HydrophobicContact CB-CD1 4.21Å; I326-Y480 HydrophobicContact CB-CE1 4.48Å; I326-Y480 HydrophobicContact CB-CG 4.34Å; I326-Y480 HydrophobicContact CD1-CG 4.27Å; I326-Y480 HydrophobicContact CG1-CD1 3.94Å; I326-Y480 HydrophobicContact CG1-CG 3.87Å; I326-Y480 HydrophobicContact CG2-CD1 3.79Å; I326-Y480 HydrophobicContact CG2-CD2 3.72Å; I326-Y480 HydrophobicContact CG2-CE1 3.82Å; I326-Y480 HydrophobicContact CG2-CE2 3.77Å; I326-Y480 HydrophobicContact CG2-CG 3.72Å; D329-Y480 HydrophobicContact CB-CE1 4.1Å; L330-Y480 WeakPolarHBondContact CD2-OH 3.4Å; I407-Y480 HydrophobicContact CD1-CD2 4.04Å; I407-Y480 HydrophobicContact CD1-CE2 4.4Å; L476-Y480 PolarHBondContact O-N 2.75Å; L476-Y480 VanDerWaalsContact O-N 3.09Å; Q477-Y480 CarbonylContact O-C 3.59Å; Q477-Y480 WeakPolarHBondContact O-CA 3.41Å; Q477-Y480 WeakPolarHBondContact O-CB 3.32Å; Q477-Y480 PolarHBondContact O-N 3.24Å; Y480-E482 PolarHBondContact O-N 2.86Å; Y480-V483 CarbonylContact O-C 3.57Å; Y480-V483 PolarHBondContact O-N 2.81Å; Y480-A484 HydrophobicContact CD1-CB 4.05Å; Y480-A484 HydrophobicContact CE1-CB 3.74Å; Y480-A484 HydrophobicContact CE2-CB 4.32Å; Y480-A484 HydrophobicContact CG-CB 4.5Å; Y480-A484 WeakPolarHBondContact O-CA 3.22Å; Y480-A484 WeakPolarHBondContact O-CB 3.3Å; Y480-A484 PolarHBondContact O-N 3.33Å
481	E	92.7	Very high	92.4	Very high	93 Å²	93	28.4 Å²	28.4	44%	0.435	15%	0.148	S	C	.	.	H	α-helix	trans	-56.3	-37.9	175.3	-70.9	-176.7	-175.9	0	0	112.3	L180 Q477 D478 V483	L180-E481 HydrophobicContact CD2-CB 3.62Å; Q477-E481 PolarHBondContact O-N 2.85Å; D478-E481 PolarHBondContact O-N 3.28Å; E481-V483 PolarHBondContact O-N 3.04Å
482	E	92.6	Very high	92.9	Very high	29 Å²	29	28.7 Å²	28.7	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-28.4	176.3	-163.8	175.6	-162.8	0	0	112.6	K179 R464 D478 F479 Y480 F512	K179-E482 VanDerWaalsContact CD-OE1 3.32Å; K179-E482 WeakPolarHBondContact CD-OE1 3.39Å; K179-E482 VanDerWaalsContact CE-OE1 3.26Å; K179-E482 WeakPolarHBondContact CE-OE1 3.4Å; R464-E482 IonicContact CZ-OE2 3.31Å; R464-E482 IonicContact NH1-OE2 3.5Å; R464-E482 IonicContact NH2-OE1 3.59Å; R464-E482 IonicContact NH2-OE2 3.29Å; R464-E482 PolarHBondContact NH2-OE2 2.86Å; D478-E482 PolarHBondContact O-N 3.32Å; D478-E482 VanDerWaalsContact O-N 3.13Å; F479-E482 WeakPolarHBondContact O-CB 3.18Å; F479-E482 PolarHBondContact O-N 2.91Å; Y480-E482 PolarHBondContact O-N 2.86Å; E482-F512 WeakPolarHBondContact O-CB 2.97Å; E482-F512 WeakPolarHBondContact O-CG 3.37Å
483	V	93.1	Very high	93.3	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-118.2	0.7	-176.5	-55.9	0	0	0	0	114.4	F439 F479 Y480 E481 S485 F512	F439-V483 HydrophobicContact CD1-CG1 4.15Å; F439-V483 HydrophobicContact CE1-CB 4.44Å; F439-V483 HydrophobicContact CE1-CG1 3.75Å; F439-V483 HydrophobicContact CZ-CB 4.33Å; F439-V483 HydrophobicContact CZ-CG1 4.1Å; F479-V483 HydrophobicContact CE1-CG2 4Å; F479-V483 HydrophobicContact CE2-CG1 4.27Å; F479-V483 HydrophobicContact CZ-CG1 4.21Å; F479-V483 HydrophobicContact CZ-CG2 3.95Å; F479-V483 PolarHBondContact O-N 2.74Å; Y480-V483 CarbonylContact O-C 3.57Å; Y480-V483 PolarHBondContact O-N 2.81Å; E481-V483 PolarHBondContact O-N 3.04Å; V483-S485 VanDerWaalsContact C-N 3.34Å; V483-S485 PolarHBondContact O-N 2.91Å; V483-F512 HydrophobicContact CB-CD1 4.43Å; V483-F512 HydrophobicContact CB-CE1 3.95Å; V483-F512 HydrophobicContact CB-CZ 3.98Å; V483-F512 HydrophobicContact CG1-CE2 4.31Å; V483-F512 HydrophobicContact CG1-CZ 4.2Å; V483-F512 WeakPolarHBondContact O-CE1 3.18Å
484	A	92.3	Very high	93.5	Very high	11 Å²	11	30.7 Å²	30.7	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-72.9	-26.4	-170.1	0	0	0	0	0	113.8	R296 K299 Y480 P486	R296-A484 PolarHBondContact NH2-O 3Å; R296-A484 VanDerWaalsContact NH2-O 3.14Å; K299-A484 WeakPolarHBondContact CD-O 3.26Å; K299-A484 WeakPolarHBondContact CE-O 3.3Å; K299-A484 PolarHBondContact NZ-O 3.36Å; Y480-A484 HydrophobicContact CD1-CB 4.05Å; Y480-A484 HydrophobicContact CE1-CB 3.74Å; Y480-A484 HydrophobicContact CE2-CB 4.32Å; Y480-A484 HydrophobicContact CG-CB 4.5Å; Y480-A484 WeakPolarHBondContact O-CA 3.22Å; Y480-A484 WeakPolarHBondContact O-CB 3.3Å; Y480-A484 PolarHBondContact O-N 3.33Å; A484-P486 WeakPolarHBondContact O-CD 3.23Å
485	S	93.7	Very high	93.6	Very high	36 Å²	36	27.1 Å²	27.1	25%	0.252	14%	0.142	S	C	.	.			trans	-128	76.7	-169.3	-66.3	0	0	0	0	111.7	V483 N513	V483-S485 VanDerWaalsContact C-N 3.34Å; V483-S485 PolarHBondContact O-N 2.91Å; S485-N513 PolarHBondContact O-N 3.47Å
486	P	95.1	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	138	171.4	28.3	-32.6	0	0	0	110	V297 V403 M405 A484 L489 F512	V297-P486 HydrophobicContact CB-CG 4.36Å; V297-P486 PolarHBondContact N-O 3.3Å; V297-P486 WeakPolarHBondContact O-CG 3.32Å; V403-P486 HydrophobicContact CG1-CB 4.27Å; V403-P486 HydrophobicContact CG1-CG 3.64Å; M405-P486 HydrophobicContact CE-CB 4.26Å; M405-P486 HydrophobicContact CE-CG 4.03Å; A484-P486 WeakPolarHBondContact O-CD 3.23Å; P486-L489 HydrophobicContact CB-CD2 4.47Å; P486-F512 HydrophobicContact CB-CD1 4.03Å; P486-F512 HydrophobicContact CB-CE1 3.91Å
487	L	95.1	Very high	93	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.068	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-42.8	-178.1	-61.1	-178.1	0	0	0	111.9	L294 V297 L511 N513	L294-L487 HydrophobicContact CB-CB 4.18Å; L294-L487 HydrophobicContact CB-CD1 4.3Å; L294-L487 HydrophobicContact CB-CD2 4.36Å; L294-L487 HydrophobicContact CD1-CB 4.23Å; V297-L487 WeakPolarHBondContact CG2-O 3.33Å; L487-L511 PolarHBondContact N-O 3.01Å; L487-N513 HydrophobicContact CD1-CB 3.97Å; L487-N513 HydrophobicContact CD2-CB 4.1Å; L487-N513 HydrophobicContact CG-CB 4.07Å
488	L	95.2	Very high	92.5	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.3	176.1	-62.3	175	0	0	0	110.2	F289 L294 V491 Q510 L511 Q538 Y544	F289-L488 HydrophobicContact CE1-CD1 4.01Å; F289-L488 HydrophobicContact CZ-CD1 4.15Å; L294-L488 HydrophobicContact CD1-CD1 3.73Å; L294-L488 HydrophobicContact CD1-CD2 3.96Å; L294-L488 HydrophobicContact CD1-CG 3.62Å; L488-V491 HydrophobicContact CB-CG2 3.54Å; L488-V491 HydrophobicContact CD1-CG2 4.33Å; L488-Q510 CarbonylContact O-C 3.56Å; L488-Q510 WeakPolarHBondContact O-CA 3.31Å; L488-L511 HydrophobicContact CB-CB 4.22Å; L488-L511 HydrophobicContact CD1-CD2 4.19Å; L488-L511 PolarHBondContact N-O 3.25Å; L488-L511 PolarHBondContact O-N 3.45Å; L488-Q538 WeakPolarHBondContact CA-O 3.45Å; L488-Y544 HydrophobicContact CD1-CD1 3.78Å; L488-Y544 HydrophobicContact CD1-CD2 4.48Å; L488-Y544 HydrophobicContact CD1-CE1 4.1Å; L488-Y544 HydrophobicContact CD1-CG 3.98Å; L488-Y544 HydrophobicContact CD2-CD1 4.36Å; L488-Y544 HydrophobicContact CD2-CD2 4.07Å; L488-Y544 HydrophobicContact CD2-CG 3.73Å
489	L	93.8	Very high	92.1	Very high	22 Å²	22	36 Å²	36	12%	0.115	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	153.3	171.5	-46.2	174.9	0	0	0	110.1	V297 V403 P486 V491 P509 Q510 G537 Q538	V297-L489 HydrophobicContact CG1-CD1 4.36Å; V403-L489 HydrophobicContact CB-CD1 4.02Å; V403-L489 HydrophobicContact CB-CD2 3.88Å; V403-L489 HydrophobicContact CG1-CD2 4.46Å; V403-L489 HydrophobicContact CG2-CD1 4.41Å; V403-L489 HydrophobicContact CG2-CD2 3.83Å; P486-L489 HydrophobicContact CB-CD2 4.47Å; L489-V491 PolarHBondContact O-N 2.86Å; L489-P509 CarbonylContact C-O 3.45Å; L489-P509 WeakPolarHBondContact CA-O 2.95Å; L489-Q510 HydrophobicContact CD2-CG 3.85Å; L489-G537 CarbonylContact O-C 3.48Å; L489-G537 WeakPolarHBondContact O-CA 3.23Å; L489-Q538 HydrophobicContact CB-CB 4.22Å; L489-Q538 PolarHBondContact N-O 3.36Å; L489-Q538 PolarHBondContact O-N 3.47Å
490	E	93.6	Very high	91.7	Very high	54 Å²	54	37 Å²	37	25%	0.252	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.8	58	177.8	-51.3	-61.7	128.5	0	0	111.9	K460 D492 H507 F508 P509	K460-E490 VanDerWaalsContact NZ-CD 3.32Å; K460-E490 IonicContact NZ-OE1 3.8Å; K460-E490 PolarHBondContact NZ-OE1 2.5Å; K460-E490 IonicContact NZ-OE2 3.19Å; K460-E490 PolarHBondContact NZ-OE2 3.45Å; E490-D492 PolarHBondContact O-N 2.86Å; E490-H507 IonicContact OE2-CE1 2.79Å; E490-H507 PolarHBondContact OE2-CE1 2.71Å; E490-H507 IonicContact OE2-NE2 2.72Å; E490-H507 PolarHBondContact OE2-NE2 2.79Å; E490-F508 CarbonylContact C-O 3.51Å; E490-P509 PolarHBondContact N-O 2.83Å
491	V	96.6	Very high	91.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.6	-176.6	-172.2	0	0	0	0	109.8	F289 L488 L489 L493 H507 F508 L511 I517 V535 L536	F289-V491 HydrophobicContact CD1-CG1 4.3Å; F289-V491 HydrophobicContact CE1-CG1 4Å; L488-V491 HydrophobicContact CB-CG2 3.54Å; L488-V491 HydrophobicContact CD1-CG2 4.33Å; L489-V491 PolarHBondContact O-N 2.86Å; V491-L493 HydrophobicContact CG1-CD1 3.96Å; V491-H507 CarbonylContact O-C 3.48Å; V491-H507 WeakPolarHBondContact O-CA 3.33Å; V491-F508 HydrophobicContact CB-CB 4.38Å; V491-F508 PolarHBondContact N-O 2.74Å; V491-F508 PolarHBondContact O-N 3.3Å; V491-L511 HydrophobicContact CG2-CB 4.18Å; V491-I517 HydrophobicContact CB-CD1 4Å; V491-I517 HydrophobicContact CG1-CD1 3.82Å; V491-I517 HydrophobicContact CG2-CD1 4.31Å; V491-V535 HydrophobicContact CG1-CG1 3.95Å; V491-L536 CarbonylContact C-O 3.54Å; V491-L536 VanDerWaalsContact CA-O 3.25Å; V491-L536 WeakPolarHBondContact CA-O 3.26Å
492	D	97.1	Very high	91.4	Very high	59 Å²	59	39.1 Å²	39.1	32%	0.316	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.4	177.6	-73.3	-55.7	0	0	0	110.5	E490 V494 H507 V535 L536	E490-D492 PolarHBondContact O-N 2.86Å; D492-V494 HydrophobicContact CB-CG2 4.5Å; D492-H507 WeakPolarHBondContact OD1-CB 3.45Å; D492-H507 IonicContact OD1-CE1 3.61Å; D492-H507 IonicContact OD1-CG 2.74Å; D492-H507 IonicContact OD1-ND1 3.57Å; D492-H507 PolarHBondContact OD1-ND1 3.32Å; D492-H507 IonicContact OD2-ND1 3.57Å; D492-V535 CarbonylContact O-C 3.27Å; D492-V535 WeakPolarHBondContact O-CA 3.37Å; D492-L536 HydrophobicContact CB-CB 4.27Å; D492-L536 PolarHBondContact N-O 3.23Å; D492-L536 PolarHBondContact O-N 3.3Å
493	L	96.3	Very high	91.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.2	172.1	-64.8	85.4	0	0	0	108.2	F289 V491 Y495 S506 F508 I517 V519 V535	F289-L493 HydrophobicContact CB-CD2 4.06Å; V491-L493 HydrophobicContact CG1-CD1 3.96Å; L493-Y495 HydrophobicContact CB-CE2 3.87Å; L493-Y495 WeakPolarHBondContact O-CD2 3.41Å; L493-Y495 VanDerWaalsContact O-CE2 3.29Å; L493-Y495 WeakPolarHBondContact O-CE2 3.24Å; L493-S506 WeakPolarHBondContact CD1-O 3.28Å; L493-S506 PolarHBondContact N-O 3.22Å; L493-S506 VanDerWaalsContact O-CB 3.31Å; L493-S506 WeakPolarHBondContact O-CB 3.22Å; L493-F508 HydrophobicContact CD1-CD2 3.89Å; L493-F508 HydrophobicContact CD1-CE2 4.09Å; L493-I517 HydrophobicContact CD1-CG2 3.83Å; L493-I517 HydrophobicContact CD2-CG2 4.12Å; L493-V519 HydrophobicContact CD1-CG2 4.45Å; L493-V519 HydrophobicContact CD2-CG2 3.87Å; L493-V535 HydrophobicContact CD2-CG2 4.42Å; L493-V535 HydrophobicContact CG-CG1 4.23Å; L493-V535 HydrophobicContact CG-CG2 4.14Å
494	V	94.9	Very high	91.5	Very high	66 Å²	66	40.3 Å²	40.3	40%	0.4	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.5	-173.1	-175.5	0	0	0	0	109.6	D492 E534 L536	D492-V494 HydrophobicContact CB-CG2 4.5Å; V494-E534 HydrophobicContact CB-CB 4.27Å; V494-E534 PolarHBondContact N-O 3.15Å; V494-E534 PolarHBondContact O-N 2.69Å; V494-E534 VanDerWaalsContact O-N 3.11Å; V494-L536 HydrophobicContact CG2-CD1 4.45Å
495	Y	92.1	Very high	91.6	Very high	20 Å²	20	43 Å²	43	8%	0.078	24%	0.237	C	C	.	.			trans	-120.4	158	179.9	-53.5	-83.4	0	0	0	110.3	F285 H287 L493 D497 V503 V519 F531 V533	F285-Y495 HydrophobicContact CD2-CE1 4.43Å; F285-Y495 AromaticContact CE2-CD1 3.9Å; F285-Y495 HydrophobicContact CE2-CD1 3.9Å; F285-Y495 AromaticContact CE2-CE1 3.51Å; F285-Y495 HydrophobicContact CE2-CE1 3.51Å; F285-Y495 AromaticContact CE2-CZ 3.87Å; F285-Y495 AromaticContact CZ-CD1 3.86Å; F285-Y495 HydrophobicContact CZ-CD1 3.86Å; F285-Y495 HydrophobicContact CZ-CD2 4.44Å; F285-Y495 AromaticContact CZ-CE1 3.91Å; F285-Y495 HydrophobicContact CZ-CE1 3.91Å; F285-Y495 HydrophobicContact CZ-CE2 4.49Å; F285-Y495 HydrophobicContact CZ-CG 4.14Å; H287-Y495 HydrophobicContact CB-CE1 4.47Å; H287-Y495 AromaticContact ND1-CE1 3.73Å; H287-Y495 AromaticContact ND1-CZ 3.74Å; H287-Y495 PolarHBondContact ND1-OH 2.96Å; L493-Y495 HydrophobicContact CB-CE2 3.87Å; L493-Y495 WeakPolarHBondContact O-CD2 3.41Å; L493-Y495 VanDerWaalsContact O-CE2 3.29Å; L493-Y495 WeakPolarHBondContact O-CE2 3.24Å; Y495-D497 PolarHBondContact O-N 3.18Å; Y495-V503 HydrophobicContact CD2-CG2 3.98Å; Y495-V503 HydrophobicContact CE2-CG2 3.97Å; Y495-V519 HydrophobicContact CE2-CG1 3.76Å; Y495-V519 VanDerWaalsContact OH-CB 3.29Å; Y495-V519 WeakPolarHBondContact OH-CB 3.45Å; Y495-V519 WeakPolarHBondContact OH-CG1 2.96Å; Y495-F531 AromaticContact CD1-CE1 3.83Å; Y495-F531 HydrophobicContact CD1-CE1 3.83Å; Y495-F531 AromaticContact CD1-CZ 3.75Å; Y495-F531 HydrophobicContact CD1-CZ 3.75Å; Y495-F531 HydrophobicContact CE1-CE1 4.44Å; Y495-F531 HydrophobicContact CG-CZ 4.47Å; Y495-V533 HydrophobicContact CD1-CG1 4.22Å; Y495-V533 HydrophobicContact CD1-CG2 3.86Å; Y495-V533 HydrophobicContact CE1-CG1 3.92Å; Y495-V533 HydrophobicContact CE1-CG2 4.04Å
496	P	87.8	Confident	91.7	Very high	26 Å²	26	43 Å²	43	17%	0.169	24%	0.237	C	C	.	.			trans	-69.1	119.3	179.9	-17.3	31.3	0	0	0	112.4	N498 A499 V500 F531 L532	P496-N498 WeakPolarHBondContact CB-OD1 3.44Å; P496-N498 PolarHBondContact O-N 2.88Å; P496-N498 VanDerWaalsContact O-N 3.13Å; P496-A499 HydrophobicContact CB-CB 4.07Å; P496-A499 PolarHBondContact O-N 2.88Å; P496-V500 PolarHBondContact O-N 2.9Å; P496-F531 HydrophobicContact CG-CD2 4.43Å; P496-L532 WeakPolarHBondContact CD-O 3.35Å; P496-L532 WeakPolarHBondContact CG-O 3.42Å
497	D	81.3	Confident	91.7	Very high	159 Å²	159	46.3 Å²	46.3	85%	0.85	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.5	-177.4	-68.3	-29.2	0	0	0	113.9	Y495	Y495-D497 PolarHBondContact O-N 3.18Å
498	N	80.9	Confident	91.7	Very high	138 Å²	138	47.7 Å²	47.7	74%	0.738	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.3	179.9	63.8	-47.8	0	0	0	113.6	P496 T524	P496-N498 WeakPolarHBondContact CB-OD1 3.44Å; P496-N498 PolarHBondContact O-N 2.88Å; P496-N498 VanDerWaalsContact O-N 3.13Å; N498-T524 PolarHBondContact O-OG1 2.78Å
499	A	82.3	Confident	91.6	Very high	17 Å²	17	49.3 Å²	49.3	14%	0.14	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-19.5	-174.3	0	0	0	0	0	113.5	P496 L523 T524 F531	P496-A499 HydrophobicContact CB-CB 4.07Å; P496-A499 PolarHBondContact O-N 2.88Å; A499-L523 WeakPolarHBondContact O-CA 3.22Å; A499-L523 WeakPolarHBondContact O-CB 3.34Å; A499-L523 VanDerWaalsContact O-CD2 3.32Å; A499-L523 WeakPolarHBondContact O-CD2 3.36Å; A499-T524 VanDerWaalsContact C-OG1 3.3Å; A499-T524 WeakPolarHBondContact CA-OG1 3.39Å; A499-T524 PolarHBondContact O-N 3.43Å; A499-T524 PolarHBondContact O-OG1 2.88Å; A499-F531 HydrophobicContact CB-CD2 4.16Å; A499-F531 HydrophobicContact CB-CE2 4.28Å
500	V	86.6	Confident	91.6	Very high	22 Å²	22	49.5 Å²	49.5	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.4	-174	-175.5	0	0	0	0	110.7	F285 P496 Y502 V503 L523 F531	F285-V500 HydrophobicContact CE1-CG1 3.88Å; F285-V500 HydrophobicContact CE1-CG2 3.83Å; F285-V500 HydrophobicContact CZ-CG1 4.44Å; F285-V500 HydrophobicContact CZ-CG2 4.41Å; P496-V500 PolarHBondContact O-N 2.9Å; V500-Y502 WeakPolarHBondContact CG1-O 3.41Å; V500-V503 HydrophobicContact CG1-CB 3.96Å; V500-L523 HydrophobicContact CG2-CD2 4.05Å; V500-F531 HydrophobicContact CG2-CE2 3.67Å; V500-F531 HydrophobicContact CG2-CZ 3.97Å
501	D	88.4	Confident	91.7	Very high	83 Å²	83	47 Å²	47	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-39.7	175.7	175.3	54.5	0	0	0	111.4	R522 T524	D501-R522 PolarHBondContact N-O 2.76Å; D501-R522 IonicContact OD2-CZ 3.09Å; D501-R522 IonicContact OD2-NE 2.8Å; D501-R522 PolarHBondContact OD2-NE 3.24Å; D501-R522 IonicContact OD2-NH2 2.96Å; D501-R522 PolarHBondContact OD2-NH2 3.06Å; D501-T524 HydrophobicContact CB-CG2 3.63Å
502	Y	90.3	Very high	91.6	Very high	59 Å²	59	48.1 Å²	48.1	23%	0.231	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.4	-179.2	-171.1	-89	0	0	0	110.7	V500 G521 R522 W574 T578 K600	V500-Y502 WeakPolarHBondContact CG1-O 3.41Å; Y502-G521 CarbonylContact O-C 3.54Å; Y502-G521 WeakPolarHBondContact O-CA 3.28Å; Y502-R522 PolarHBondContact N-O 2.8Å; Y502-R522 PolarHBondContact O-N 3.01Å; Y502-W574 AromaticContact CD1-CE2 3.92Å; Y502-W574 AromaticContact CD1-CZ2 3.74Å; Y502-W574 HydrophobicContact CD1-CZ2 3.74Å; Y502-W574 AromaticContact CD1-NE1 3.47Å; Y502-W574 HydrophobicContact CE1-CZ2 4.23Å; Y502-W574 HydrophobicContact CG-CZ2 4.31Å; Y502-T578 HydrophobicContact CE1-CG2 3.64Å; Y502-K600 VanDerWaalsContact CE2-NZ 3.29Å
503	V	93.7	Very high	91.5	Very high	51 Å²	51	50 Å²	50	31%	0.309	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.3	174.6	70.4	0	0	0	0	109.7	F285 Y495 V500 V519	F285-V503 HydrophobicContact CZ-CG2 3.96Å; Y495-V503 HydrophobicContact CD2-CG2 3.98Å; Y495-V503 HydrophobicContact CE2-CG2 3.97Å; V500-V503 HydrophobicContact CG1-CB 3.96Å; V503-V519 HydrophobicContact CG2-CG1 3.54Å
504	T	95.4	Very high	91.3	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.025	28%	0.275	C	S	.	.			trans	-67.4	176.1	168	59.8	0	0	0	0	110.6	S506 V519 A520 L577	T504-S506 PolarHBondContact O-N 3.49Å; T504-S506 VanDerWaalsContact O-N 3.09Å; T504-V519 WeakPolarHBondContact OG1-CA 3.34Å; T504-V519 WeakPolarHBondContact OG1-CG1 3.48Å; T504-A520 HydrophobicContact CG2-CB 4.21Å; T504-A520 WeakPolarHBondContact CG2-O 3.1Å; T504-A520 PolarHBondContact N-O 3.39Å; T504-A520 PolarHBondContact OG1-N 2.97Å; T504-A520 PolarHBondContact OG1-O 3.04Å; T504-A520 VanDerWaalsContact OG1-O 3.06Å; T504-L577 HydrophobicContact CG2-CB 4.41Å; T504-L577 HydrophobicContact CG2-CD2 4.06Å; T504-L577 HydrophobicContact CG2-CG 4.05Å
505	T	94.1	Very high	91.3	Very high	69 Å²	69	48.3 Å²	48.3	42%	0.423	26%	0.264	S	S	.	.			trans	-45.3	121.7	173.1	-58.6	0	0	0	0	111.3	H507 F508 V519 Q581	T505-H507 VanDerWaalsContact CG2-O 3.23Å; T505-H507 WeakPolarHBondContact CG2-O 3.49Å; T505-F508 HydrophobicContact CG2-CE1 4.38Å; T505-F508 HydrophobicContact CG2-CZ 4.22Å; T505-F508 VanDerWaalsContact O-CE2 3.3Å; T505-F508 WeakPolarHBondContact O-CE2 3.44Å; T505-F508 WeakPolarHBondContact O-CZ 3.3Å; T505-V519 WeakPolarHBondContact O-CG2 3.27Å; T505-Q581 PolarHBondContact OG1-OE1 3.15Å
506	S	95.1	Very high	91.5	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	27%	0.267	C	S	.	.			trans	-116.7	-4.9	-179.1	63.3	0	0	0	0	113.6	L493 T504	L493-S506 WeakPolarHBondContact CD1-O 3.28Å; L493-S506 PolarHBondContact N-O 3.22Å; L493-S506 VanDerWaalsContact O-CB 3.31Å; L493-S506 WeakPolarHBondContact O-CB 3.22Å; T504-S506 PolarHBondContact O-N 3.49Å; T504-S506 VanDerWaalsContact O-N 3.09Å
507	H	95.6	Very high	91.9	Very high	70 Å²	70	47.7 Å²	47.7	32%	0.324	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.1	171.8	174.3	82.3	0	0	0	109.8	E490 V491 D492 T505	E490-H507 IonicContact OE2-CE1 2.79Å; E490-H507 PolarHBondContact OE2-CE1 2.71Å; E490-H507 IonicContact OE2-NE2 2.72Å; E490-H507 PolarHBondContact OE2-NE2 2.79Å; V491-H507 CarbonylContact O-C 3.48Å; V491-H507 WeakPolarHBondContact O-CA 3.33Å; D492-H507 WeakPolarHBondContact OD1-CB 3.45Å; D492-H507 IonicContact OD1-CE1 3.61Å; D492-H507 IonicContact OD1-CG 2.74Å; D492-H507 IonicContact OD1-ND1 3.57Å; D492-H507 PolarHBondContact OD1-ND1 3.32Å; D492-H507 IonicContact OD2-ND1 3.57Å; T505-H507 VanDerWaalsContact CG2-O 3.23Å; T505-H507 WeakPolarHBondContact CG2-O 3.49Å
508	F	94.9	Very high	92.7	Very high	41 Å²	41	41.2 Å²	41.2	18%	0.18	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.4	-178.8	-63.7	-93.6	0	0	0	109.9	E490 V491 L493 T505 Q510 I517 V519	E490-F508 CarbonylContact C-O 3.51Å; V491-F508 HydrophobicContact CB-CB 4.38Å; V491-F508 PolarHBondContact N-O 2.74Å; V491-F508 PolarHBondContact O-N 3.3Å; L493-F508 HydrophobicContact CD1-CD2 3.89Å; L493-F508 HydrophobicContact CD1-CE2 4.09Å; T505-F508 HydrophobicContact CG2-CE1 4.38Å; T505-F508 HydrophobicContact CG2-CZ 4.22Å; T505-F508 VanDerWaalsContact O-CE2 3.3Å; T505-F508 WeakPolarHBondContact O-CE2 3.44Å; T505-F508 WeakPolarHBondContact O-CZ 3.3Å; F508-Q510 PolarHBondContact O-N 3.11Å; F508-I517 HydrophobicContact CB-CD1 3.78Å; F508-I517 HydrophobicContact CB-CG1 4.28Å; F508-I517 HydrophobicContact CD1-CG1 4.15Å; F508-I517 HydrophobicContact CD1-CG2 4.49Å; F508-I517 HydrophobicContact CD2-CD1 3.97Å; F508-I517 HydrophobicContact CD2-CG1 4.12Å; F508-I517 HydrophobicContact CD2-CG2 3.58Å; F508-I517 HydrophobicContact CE1-CG2 4.26Å; F508-I517 HydrophobicContact CE2-CG2 3.31Å; F508-I517 HydrophobicContact CG-CD1 3.85Å; F508-I517 HydrophobicContact CG-CG1 3.91Å; F508-I517 HydrophobicContact CG-CG2 4.18Å; F508-I517 HydrophobicContact CZ-CG2 3.68Å; F508-V519 HydrophobicContact CE2-CG2 3.79Å; F508-V519 HydrophobicContact CZ-CG2 4.16Å
509	P	93.3	Very high	93.4	Very high	38 Å²	38	34.7 Å²	34.7	25%	0.247	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	-35.4	-178.2	-26.6	34.8	0	0	0	113.5	K460 L489 E490	K460-P509 HydrophobicContact CB-CB 3.88Å; K460-P509 HydrophobicContact CB-CG 3.97Å; K460-P509 HydrophobicContact CD-CB 3.98Å; K460-P509 HydrophobicContact CD-CG 4.29Å; K460-P509 HydrophobicContact CG-CB 3.94Å; K460-P509 HydrophobicContact CG-CG 3.82Å; L489-P509 CarbonylContact C-O 3.45Å; L489-P509 WeakPolarHBondContact CA-O 2.95Å; E490-P509 PolarHBondContact N-O 2.83Å
510	Q	93.4	Very high	94	Very high	25 Å²	25	33.9 Å²	33.9	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	142.4	-170.5	-68.6	168.5	-14.2	0	0	110.8	S437 L488 L489 F508 F512	S437-Q510 PolarHBondContact OG-NE2 3.27Å; S437-Q510 PolarHBondContact OG-OE1 3.47Å; L488-Q510 CarbonylContact O-C 3.56Å; L488-Q510 WeakPolarHBondContact O-CA 3.31Å; L489-Q510 HydrophobicContact CD2-CG 3.85Å; F508-Q510 PolarHBondContact O-N 3.11Å; Q510-F512 HydrophobicContact CB-CD2 4.41Å; Q510-F512 HydrophobicContact CB-CE2 3.83Å; Q510-F512 HydrophobicContact CB-CZ 4.05Å; Q510-F512 HydrophobicContact CG-CZ 4.48Å
511	L	95.4	Very high	94.3	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.9	162.3	177	68	0	0	0	108.4	F289 P291 L487 L488 V491 I517	F289-L511 HydrophobicContact CD1-CD2 4.36Å; F289-L511 HydrophobicContact CE1-CD2 4Å; P291-L511 HydrophobicContact CG-CD2 4.27Å; L487-L511 PolarHBondContact N-O 3.01Å; L488-L511 HydrophobicContact CB-CB 4.22Å; L488-L511 HydrophobicContact CD1-CD2 4.19Å; L488-L511 PolarHBondContact N-O 3.25Å; L488-L511 PolarHBondContact O-N 3.45Å; V491-L511 HydrophobicContact CG2-CB 4.18Å; L511-I517 HydrophobicContact CB-CD1 4.18Å; L511-I517 HydrophobicContact CD1-CD1 4.07Å; L511-I517 HydrophobicContact CD1-CG1 4.04Å
512	F	95.2	Very high	94.5	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.096	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	152.9	179.7	-67.6	-77.9	0	0	0	111.2	M405 F439 E482 V483 P486 Q510 G514 S515	M405-F512 HydrophobicContact CE-CE1 3.77Å; M405-F512 HydrophobicContact CE-CZ 4.01Å; F439-F512 HydrophobicContact CZ-CE2 4.43Å; F439-F512 AromaticContact CZ-CZ 3.93Å; F439-F512 HydrophobicContact CZ-CZ 3.93Å; E482-F512 WeakPolarHBondContact O-CB 2.97Å; E482-F512 WeakPolarHBondContact O-CG 3.37Å; V483-F512 HydrophobicContact CB-CD1 4.43Å; V483-F512 HydrophobicContact CB-CE1 3.95Å; V483-F512 HydrophobicContact CB-CZ 3.98Å; V483-F512 HydrophobicContact CG1-CE2 4.31Å; V483-F512 HydrophobicContact CG1-CZ 4.2Å; V483-F512 WeakPolarHBondContact O-CE1 3.18Å; P486-F512 HydrophobicContact CB-CD1 4.03Å; P486-F512 HydrophobicContact CB-CE1 3.91Å; Q510-F512 HydrophobicContact CB-CD2 4.41Å; Q510-F512 HydrophobicContact CB-CE2 3.83Å; Q510-F512 HydrophobicContact CB-CZ 4.05Å; Q510-F512 HydrophobicContact CG-CZ 4.48Å; F512-G514 PolarHBondContact O-N 3.41Å; F512-S515 PolarHBondContact N-OG 2.77Å; F512-S515 PolarHBondContact O-N 2.86Å; F512-S515 VanDerWaalsContact O-N 3.12Å; F512-S515 PolarHBondContact O-OG 2.87Å
513	N	94.2	Very high	94.4	Very high	99 Å²	99	31.5 Å²	31.5	53%	0.529	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	134.7	172.5	-170.4	21.6	0	0	0	110.2	S485 L487 S515	S485-N513 PolarHBondContact O-N 3.47Å; L487-N513 HydrophobicContact CD1-CB 3.97Å; L487-N513 HydrophobicContact CD2-CB 4.1Å; L487-N513 HydrophobicContact CG-CB 4.07Å; N513-S515 PolarHBondContact O-N 2.74Å
514	G	92.9	Very high	93.8	Very high	7 Å²	7	32.4 Å²	32.4	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.2	-177.6	0	0	0	0	0	115.4	K179 L180 G181 F512	K179-G514 CarbonylContact C-O 3.57Å; L180-G514 PolarHBondContact N-O 3.19Å; G181-G514 VanDerWaalsContact N-CA 3.28Å; G181-G514 PolarHBondContact N-O 3.27Å; F512-G514 PolarHBondContact O-N 3.41Å
515	S	95.4	Very high	92.5	Very high	26 Å²	26	38.8 Å²	38.8	18%	0.182	21%	0.207	C	C	.	.			trans	-99	-178	168.9	79.6	0	0	0	0	111.9	R178 F512 N513	R178-S515 PolarHBondContact NH1-O 3.34Å; F512-S515 PolarHBondContact N-OG 2.77Å; F512-S515 PolarHBondContact O-N 2.86Å; F512-S515 VanDerWaalsContact O-N 3.12Å; F512-S515 PolarHBondContact O-OG 2.87Å; N513-S515 PolarHBondContact O-N 2.74Å
516	E	96.1	Very high	90.7	Very high	27 Å²	27	41.5 Å²	41.5	13%	0.126	22%	0.219	C	C	.	.			trans	-149.6	141.8	178.2	-178.4	170.7	-107.9	0	0	110.1	R73 R178 Y183 R271 A290 V518	R73-E516 IonicContact NH2-OE1 3.9Å; R178-E516 HydrophobicContact CB-CB 3.85Å; Y183-E516 PolarHBondContact OH-OE1 3.32Å; Y183-E516 PolarHBondContact OH-OE2 3.07Å; R271-E516 IonicContact CZ-OE1 3.76Å; R271-E516 IonicContact NH1-OE1 3.84Å; R271-E516 PolarHBondContact NH1-OE1 2.8Å; R271-E516 IonicContact NH2-OE1 3.82Å; R271-E516 PolarHBondContact NH2-OE1 3.11Å; A290-E516 HydrophobicContact CB-CB 3.96Å; A290-E516 HydrophobicContact CB-CG 3.87Å; E516-V518 HydrophobicContact CG-CG2 4.3Å
517	I	96.4	Very high	89	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.1	169.6	-74.7	165.9	0	0	0	108.4	F289 V491 L493 F508 L511 V519	F289-I517 HydrophobicContact CB-CB 4.28Å; F289-I517 HydrophobicContact CD1-CB 4.49Å; F289-I517 HydrophobicContact CD1-CD1 4.27Å; F289-I517 PolarHBondContact N-O 2.85Å; F289-I517 PolarHBondContact O-N 2.9Å; V491-I517 HydrophobicContact CB-CD1 4Å; V491-I517 HydrophobicContact CG1-CD1 3.82Å; V491-I517 HydrophobicContact CG2-CD1 4.31Å; L493-I517 HydrophobicContact CD1-CG2 3.83Å; L493-I517 HydrophobicContact CD2-CG2 4.12Å; F508-I517 HydrophobicContact CB-CD1 3.78Å; F508-I517 HydrophobicContact CB-CG1 4.28Å; F508-I517 HydrophobicContact CD1-CG1 4.15Å; F508-I517 HydrophobicContact CD1-CG2 4.49Å; F508-I517 HydrophobicContact CD2-CD1 3.97Å; F508-I517 HydrophobicContact CD2-CG1 4.12Å; F508-I517 HydrophobicContact CD2-CG2 3.58Å; F508-I517 HydrophobicContact CE1-CG2 4.26Å; F508-I517 HydrophobicContact CE2-CG2 3.31Å; F508-I517 HydrophobicContact CG-CD1 3.85Å; F508-I517 HydrophobicContact CG-CG1 3.91Å; F508-I517 HydrophobicContact CG-CG2 4.18Å; F508-I517 HydrophobicContact CZ-CG2 3.68Å; L511-I517 HydrophobicContact CB-CD1 4.18Å; L511-I517 HydrophobicContact CD1-CD1 4.07Å; L511-I517 HydrophobicContact CD1-CG1 4.04Å; I517-V519 HydrophobicContact CG2-CG2 4.12Å
518	V	96.4	Very high	87.5	Confident	23 Å²	23	44.1 Å²	44.1	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127	175.8	-169.8	0	0	0	0	109.3	L175 V286 H287 F288 E516 L577	L175-V518 HydrophobicContact CD2-CG1 4.24Å; V286-V518 HydrophobicContact CG1-CG1 3.94Å; H287-V518 WeakPolarHBondContact O-CA 3.5Å; F288-V518 HydrophobicContact CD1-CB 4.47Å; F288-V518 HydrophobicContact CD1-CG1 3.99Å; F288-V518 HydrophobicContact CD1-CG2 3.76Å; F288-V518 HydrophobicContact CE1-CG1 3.83Å; F288-V518 HydrophobicContact CE1-CG2 4.08Å; F288-V518 HydrophobicContact CZ-CG1 4.48Å; E516-V518 HydrophobicContact CG-CG2 4.3Å; V518-L577 HydrophobicContact CG1-CD2 4.24Å
519	V	96.6	Very high	85.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.1	175.6	-176.7	0	0	0	0	108.7	V286 H287 L493 Y495 V503 T504 T505 F508 I517	V286-V519 CarbonylContact C-O 3.54Å; V286-V519 WeakPolarHBondContact CA-O 3.26Å; H287-V519 HydrophobicContact CB-CB 4.42Å; H287-V519 PolarHBondContact N-O 2.99Å; H287-V519 PolarHBondContact O-N 3.25Å; L493-V519 HydrophobicContact CD1-CG2 4.45Å; L493-V519 HydrophobicContact CD2-CG2 3.87Å; Y495-V519 HydrophobicContact CE2-CG1 3.76Å; Y495-V519 VanDerWaalsContact OH-CB 3.29Å; Y495-V519 WeakPolarHBondContact OH-CB 3.45Å; Y495-V519 WeakPolarHBondContact OH-CG1 2.96Å; V503-V519 HydrophobicContact CG2-CG1 3.54Å; T504-V519 WeakPolarHBondContact OG1-CA 3.34Å; T504-V519 WeakPolarHBondContact OG1-CG1 3.48Å; T505-V519 WeakPolarHBondContact O-CG2 3.27Å; F508-V519 HydrophobicContact CE2-CG2 3.79Å; F508-V519 HydrophobicContact CZ-CG2 4.16Å; I517-V519 HydrophobicContact CG2-CG2 4.12Å
520	A	95.1	Very high	84.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.3	173.6	0	0	0	0	0	110.7	F285 V286 T504 L573 W574 L577	F285-A520 CarbonylContact O-C 3.58Å; F285-A520 WeakPolarHBondContact O-CA 3.18Å; V286-A520 HydrophobicContact CG2-CB 4.1Å; T504-A520 HydrophobicContact CG2-CB 4.21Å; T504-A520 WeakPolarHBondContact CG2-O 3.1Å; T504-A520 PolarHBondContact N-O 3.39Å; T504-A520 PolarHBondContact OG1-N 2.97Å; T504-A520 PolarHBondContact OG1-O 3.04Å; T504-A520 VanDerWaalsContact OG1-O 3.06Å; A520-L573 HydrophobicContact CB-CD2 4.4Å; A520-W574 HydrophobicContact CB-CB 4.03Å; A520-W574 HydrophobicContact CB-CG 4.4Å; A520-L577 HydrophobicContact CB-CD2 3.98Å
521	G	93.2	Very high	83.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	170.6	175.3	0	0	0	0	0	114.6	Y284 F285 Y502	Y284-G521 CarbonylContact C-O 3.57Å; Y284-G521 VanDerWaalsContact CA-O 3.29Å; Y284-G521 WeakPolarHBondContact CA-O 3.11Å; F285-G521 VanDerWaalsContact CE1-CA 3.43Å; F285-G521 PolarHBondContact N-O 3.4Å; F285-G521 PolarHBondContact O-N 2.86Å; Y502-G521 CarbonylContact O-C 3.54Å; Y502-G521 WeakPolarHBondContact O-CA 3.28Å
522	R	91.4	Very high	83.2	Confident	98 Å²	98	55.4 Å²	55.4	37%	0.37	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.1	175.7	-175.5	172.2	71.2	-179.2	4.5	109.1	Y284 D501 Y502	Y284-R522 HydrophobicContact CD1-CB 3.94Å; Y284-R522 HydrophobicContact CD1-CG 4.11Å; Y284-R522 HydrophobicContact CE1-CB 3.85Å; Y284-R522 HydrophobicContact CE1-CG 3.71Å; D501-R522 PolarHBondContact N-O 2.76Å; D501-R522 IonicContact OD2-CZ 3.09Å; D501-R522 IonicContact OD2-NE 2.8Å; D501-R522 PolarHBondContact OD2-NE 3.24Å; D501-R522 IonicContact OD2-NH2 2.96Å; D501-R522 PolarHBondContact OD2-NH2 3.06Å; Y502-R522 PolarHBondContact N-O 2.8Å; Y502-R522 PolarHBondContact O-N 3.01Å
523	L	88.6	Confident	83	Confident	17 Å²	17	54.3 Å²	54.3	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	153.4	-177	-56.5	177.3	0	0	0	111.5	I280 G283 F285 A499 V500 L528 F531	I280-L523 HydrophobicContact CG2-CD1 3.6Å; G283-L523 WeakPolarHBondContact O-CB 3.4Å; G283-L523 PolarHBondContact O-N 3.42Å; F285-L523 HydrophobicContact CD1-CD2 3.69Å; F285-L523 HydrophobicContact CD1-CG 4.3Å; F285-L523 HydrophobicContact CE1-CD2 4.14Å; A499-L523 WeakPolarHBondContact O-CA 3.22Å; A499-L523 WeakPolarHBondContact O-CB 3.34Å; A499-L523 VanDerWaalsContact O-CD2 3.32Å; A499-L523 WeakPolarHBondContact O-CD2 3.36Å; V500-L523 HydrophobicContact CG2-CD2 4.05Å; L523-L528 HydrophobicContact CD1-CD2 3.53Å; L523-F531 HydrophobicContact CD2-CD2 4.26Å; L523-F531 HydrophobicContact CD2-CE2 3.59Å; L523-F531 HydrophobicContact CD2-CZ 4.27Å
524	T	81.6	Confident	83	Confident	70 Å²	70	51.4 Å²	51.4	43%	0.429	27%	0.272	S	S	.	.	S	Bend	trans	-85	-38.1	-178.3	39.4	0	0	0	0	114	N498 A499 D501	N498-T524 PolarHBondContact O-OG1 2.78Å; A499-T524 VanDerWaalsContact C-OG1 3.3Å; A499-T524 WeakPolarHBondContact CA-OG1 3.39Å; A499-T524 PolarHBondContact O-N 3.43Å; A499-T524 PolarHBondContact O-OG1 2.88Å; D501-T524 HydrophobicContact CB-CG2 3.63Å
525	D	67.3	Low	83.1	Confident	137 Å²	137	51.1 Å²	51.1	73%	0.733	27%	0.268	S	S	*	.	S	Bend	trans	-165.5	152.5	174.6	-108.8	-31.4	0	0	0	110.8	D527	D525-D527 PolarHBondContact O-N 2.79Å
526	N	57.4	Low	83.1	Confident	126 Å²	126	52.5 Å²	52.5	67%	0.674	27%	0.274	S	S	*	.	S	Bend	trans	-67.6	20.2	-165.1	-76.3	-26.4	0	0	0	117.7	L528	N526-L528 PolarHBondContact O-N 2.9Å
527	D	59.6	Low	83.1	Confident	128 Å²	128	51.6 Å²	51.6	68%	0.684	27%	0.271	S	S	*	.			trans	-78.9	75.7	175.1	-158.6	-2.6	0	0	0	110.3	D525 D529	D525-D527 PolarHBondContact O-N 2.79Å; D527-D529 VanDerWaalsContact C-N 3.32Å
528	L	63.8	Low	82.9	Confident	32 Å²	32	55.9 Å²	55.9	17%	0.168	29%	0.291	C	S	.	.			trans	-85.5	-4.5	-173.8	-60.4	170.2	0	0	0	113.2	I280 L523 N526 N530 F531 V552	I280-L528 HydrophobicContact CD1-CD2 3.97Å; I280-L528 HydrophobicContact CG2-CD1 4.22Å; I280-L528 HydrophobicContact CG2-CD2 3.86Å; L523-L528 HydrophobicContact CD1-CD2 3.53Å; N526-L528 PolarHBondContact O-N 2.9Å; L528-N530 PolarHBondContact O-N 3.2Å; L528-F531 PolarHBondContact O-N 3.39Å; L528-V552 HydrophobicContact CB-CG1 4.42Å; L528-V552 HydrophobicContact CB-CG2 3.43Å; L528-V552 VanDerWaalsContact CB-CG2 3.43Å; L528-V552 HydrophobicContact CD1-CB 4.49Å; L528-V552 HydrophobicContact CD1-CG1 3.61Å; L528-V552 HydrophobicContact CD1-CG2 4.03Å; L528-V552 HydrophobicContact CG-CG2 4.24Å
529	D	57.9	Low	82.6	Confident	137 Å²	137	55.3 Å²	55.3	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.1	-173.4	-77.3	-14.9	0	0	0	112.9	D527	D527-D529 VanDerWaalsContact C-N 3.32Å
530	N	62.5	Low	82.2	Confident	120 Å²	120	59 Å²	59	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.4	43.3	177.8	-70	-58.6	0	0	0	114.4	L528 L532	L528-N530 PolarHBondContact O-N 3.2Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 2.81Å
531	F	79.6	Confident	81.7	Confident	5 Å²	5	65.7 Å²	65.7	2%	0.022	34%	0.338	C	S	.	.			trans	-75	80.5	171.7	-162.5	-91.6	0	0	0	111	I278 I280 F285 Y495 P496 A499 V500 L523 L528 V533 A550	I278-F531 HydrophobicContact CG2-CE1 4.36Å; I280-F531 HydrophobicContact CD1-CB 4.34Å; I280-F531 HydrophobicContact CD1-CD1 4.17Å; I280-F531 HydrophobicContact CD1-CG 4.12Å; F285-F531 HydrophobicContact CD1-CZ 4.05Å; F285-F531 HydrophobicContact CD2-CZ 4.5Å; F285-F531 AromaticContact CE1-CZ 3.98Å; F285-F531 HydrophobicContact CE1-CZ 3.98Å; F285-F531 HydrophobicContact CE2-CZ 4.47Å; F285-F531 HydrophobicContact CG-CZ 4.3Å; F285-F531 HydrophobicContact CZ-CZ 4.2Å; Y495-F531 AromaticContact CD1-CE1 3.83Å; Y495-F531 HydrophobicContact CD1-CE1 3.83Å; Y495-F531 AromaticContact CD1-CZ 3.75Å; Y495-F531 HydrophobicContact CD1-CZ 3.75Å; Y495-F531 HydrophobicContact CE1-CE1 4.44Å; Y495-F531 HydrophobicContact CG-CZ 4.47Å; P496-F531 HydrophobicContact CG-CD2 4.43Å; A499-F531 HydrophobicContact CB-CD2 4.16Å; A499-F531 HydrophobicContact CB-CE2 4.28Å; V500-F531 HydrophobicContact CG2-CE2 3.67Å; V500-F531 HydrophobicContact CG2-CZ 3.97Å; L523-F531 HydrophobicContact CD2-CD2 4.26Å; L523-F531 HydrophobicContact CD2-CE2 3.59Å; L523-F531 HydrophobicContact CD2-CZ 4.27Å; L528-F531 PolarHBondContact O-N 3.39Å; F531-V533 HydrophobicContact CD1-CG2 3.62Å; F531-V533 HydrophobicContact CE1-CG2 3.45Å; F531-V533 VanDerWaalsContact CE1-CG2 3.45Å; F531-A550 HydrophobicContact CB-CB 4.08Å; F531-A550 HydrophobicContact CD1-CB 3.5Å; F531-A550 HydrophobicContact CE1-CB 4.36Å; F531-A550 HydrophobicContact CG-CB 4.19Å; F531-A550 PolarHBondContact O-N 2.77Å
532	L	85.9	Confident	81.4	Confident	82 Å²	82	71.1 Å²	71.1	43%	0.429	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124	177.7	-173.1	73.4	0	0	0	110	P496 N530 Q549	P496-L532 WeakPolarHBondContact CD-O 3.35Å; P496-L532 WeakPolarHBondContact CG-O 3.42Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 2.81Å; L532-Q549 HydrophobicContact CD1-CG 4.23Å
533	V	90.6	Very high	81.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.5	175.5	-178	0	0	0	0	109.3	I278 Y495 F531 Q547 G548	I278-V533 HydrophobicContact CD1-CB 3.77Å; I278-V533 HydrophobicContact CD1-CG1 4.21Å; I278-V533 HydrophobicContact CD1-CG2 3.51Å; I278-V533 HydrophobicContact CG1-CG2 4.48Å; Y495-V533 HydrophobicContact CD1-CG1 4.22Å; Y495-V533 HydrophobicContact CD1-CG2 3.86Å; Y495-V533 HydrophobicContact CE1-CG1 3.92Å; Y495-V533 HydrophobicContact CE1-CG2 4.04Å; F531-V533 HydrophobicContact CD1-CG2 3.62Å; F531-V533 HydrophobicContact CE1-CG2 3.45Å; F531-V533 VanDerWaalsContact CE1-CG2 3.45Å; V533-Q547 WeakPolarHBondContact O-CA 3.35Å; V533-G548 PolarHBondContact N-O 2.9Å; V533-G548 PolarHBondContact O-N 2.8Å
534	E	94	Very high	81.6	Confident	38 Å²	38	73.7 Å²	73.7	18%	0.178	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.7	174.4	178.8	167.6	-167.3	0	0	109.4	V494 L536 K545 V546 Q547	V494-E534 HydrophobicContact CB-CB 4.27Å; V494-E534 PolarHBondContact N-O 3.15Å; V494-E534 PolarHBondContact O-N 2.69Å; V494-E534 VanDerWaalsContact O-N 3.11Å; E534-L536 HydrophobicContact CG-CD2 3.97Å; E534-L536 HydrophobicContact CG-CG 4.07Å; E534-L536 WeakPolarHBondContact OE1-CD2 3.5Å; E534-K545 WeakPolarHBondContact OE1-CD 3.46Å; E534-K545 WeakPolarHBondContact OE1-CE 3.31Å; E534-K545 IonicContact OE1-NZ 2.86Å; E534-K545 PolarHBondContact OE1-NZ 2.84Å; E534-V546 WeakPolarHBondContact CA-O 3.45Å; E534-Q547 HydrophobicContact CB-CG 3.89Å; E534-Q547 HydrophobicContact CG-CG 3.71Å; E534-Q547 PolarHBondContact OE1-NE2 2.93Å; E534-Q547 PolarHBondContact OE2-NE2 2.98Å
535	V	95.3	Very high	82.2	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.4	172.8	-172.9	0	0	0	0	108.9	F289 V491 D492 L493 K545 V546	F289-V535 HydrophobicContact CD1-CG1 4.16Å; F289-V535 HydrophobicContact CD2-CG1 4.34Å; F289-V535 HydrophobicContact CD2-CG2 4.23Å; F289-V535 HydrophobicContact CE1-CG1 3.72Å; F289-V535 HydrophobicContact CE2-CB 4.25Å; F289-V535 HydrophobicContact CE2-CG1 3.91Å; F289-V535 HydrophobicContact CE2-CG2 4.24Å; F289-V535 HydrophobicContact CG-CG1 4.45Å; F289-V535 HydrophobicContact CZ-CB 4.35Å; F289-V535 HydrophobicContact CZ-CG1 3.59Å; V491-V535 HydrophobicContact CG1-CG1 3.95Å; D492-V535 CarbonylContact O-C 3.27Å; D492-V535 WeakPolarHBondContact O-CA 3.37Å; L493-V535 HydrophobicContact CD2-CG2 4.42Å; L493-V535 HydrophobicContact CG-CG1 4.23Å; L493-V535 HydrophobicContact CG-CG2 4.14Å; V535-K545 WeakPolarHBondContact O-CA 3.33Å; V535-V546 HydrophobicContact CB-CG1 3.79Å; V535-V546 HydrophobicContact CG2-CG1 4.35Å; V535-V546 PolarHBondContact N-O 2.59Å; V535-V546 PolarHBondContact O-N 3Å
536	L	96.4	Very high	83.4	Confident	56 Å²	56	71.2 Å²	71.2	29%	0.293	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.4	179.7	-59	175	0	0	0	109.7	V491 D492 V494 E534 Y544 K545	V491-L536 CarbonylContact C-O 3.54Å; V491-L536 VanDerWaalsContact CA-O 3.25Å; V491-L536 WeakPolarHBondContact CA-O 3.26Å; D492-L536 HydrophobicContact CB-CB 4.27Å; D492-L536 PolarHBondContact N-O 3.23Å; D492-L536 PolarHBondContact O-N 3.3Å; V494-L536 HydrophobicContact CG2-CD1 4.45Å; E534-L536 HydrophobicContact CG-CD2 3.97Å; E534-L536 HydrophobicContact CG-CG 4.07Å; E534-L536 WeakPolarHBondContact OE1-CD2 3.5Å; L536-Y544 CarbonylContact C-O 3.55Å; L536-Y544 WeakPolarHBondContact CA-O 3.37Å; L536-K545 HydrophobicContact CD2-CB 3.92Å; L536-K545 HydrophobicContact CD2-CD 3.87Å; L536-K545 HydrophobicContact CD2-CG 3.77Å
537	G	94.7	Very high	85	Confident	8 Å²	8	70 Å²	70	8%	0.082	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	179.9	171.9	0	0	0	0	0	112.3	L489 N543 Y544	L489-G537 CarbonylContact O-C 3.48Å; L489-G537 WeakPolarHBondContact O-CA 3.23Å; G537-N543 CarbonylContact O-C 3.58Å; G537-Y544 PolarHBondContact N-O 2.77Å; G537-Y544 PolarHBondContact O-N 2.74Å
538	Q	93.4	Very high	86.2	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.3	176.4	-58	174.9	15.8	0	0	109.2	L488 L489	L488-Q538 WeakPolarHBondContact CA-O 3.45Å; L489-Q538 HydrophobicContact CB-CB 4.22Å; L489-Q538 PolarHBondContact N-O 3.36Å; L489-Q538 PolarHBondContact O-N 3.47Å
539	G	90.5	Very high	86.9	Confident	12 Å²	12	69.1 Å²	69.1	12%	0.124	35%	0.35	C	S	.	.			trans	-97.6	-176.9	175.9	0	0	0	0	0	112.7	D542	G539-D542 CarbonylContact C-O 3.51Å; G539-D542 WeakPolarHBondContact CA-O 3.34Å; G539-D542 PolarHBondContact N-O 2.89Å
540	F	87.9	Confident	87.5	Confident	77 Å²	77	63.2 Å²	63.2	34%	0.338	32%	0.32	S	S	.	.	S	Bend	trans	-61.5	-54.4	-177.8	175.4	-124.2	0	0	0	113.2	P295 V297 P298 R401	P295-F540 HydrophobicContact CB-CB 4.34Å; P295-F540 HydrophobicContact CB-CD1 4.49Å; P295-F540 HydrophobicContact CG-CB 4.28Å; V297-F540 HydrophobicContact CG2-CB 4.3Å; P298-F540 HydrophobicContact CG-CD2 4.01Å; P298-F540 HydrophobicContact CG-CE2 3.63Å; R401-F540 WeakPolarHBondContact CD-O 3.49Å
541	E	84.4	Confident	87.5	Confident	141 Å²	141	60.5 Å²	60.5	66%	0.659	31%	0.31	S	S	*	.	S	Bend	trans	-96.1	-36.4	-175.8	-62.7	-167.8	156.2	0	0	113.4	R401	R401-E541 PolarHBondContact NH1-O 3.25Å; R401-E541 PolarHBondContact NH2-O 2.79Å
542	D	87.1	Confident	86.4	Confident	114 Å²	114	63.7 Å²	63.7	61%	0.61	33%	0.33	S	S	*	.	S	Bend	trans	-140.5	164.7	-176.5	-77.3	-44	0	0	0	112.7	R401 G539 Y544	R401-D542 VanDerWaalsContact NH1-C 3.31Å; R401-D542 IonicContact NH2-OD1 2.67Å; G539-D542 CarbonylContact C-O 3.51Å; G539-D542 WeakPolarHBondContact CA-O 3.34Å; G539-D542 PolarHBondContact N-O 2.89Å; D542-Y544 PolarHBondContact O-N 2.86Å
543	N	91.8	Very high	85.2	Confident	123 Å²	123	63.4 Å²	63.4	66%	0.658	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.9	167.2	-70.6	-25.2	0	0	0	108.6	G537	G537-N543 CarbonylContact O-C 3.58Å
544	Y	92.6	Very high	83.4	Confident	45 Å²	45	67.5 Å²	67.5	18%	0.176	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129	176.5	-174	-95.6	0	0	0	109.4	F289 L294 L488 L536 G537 D542 V546	F289-Y544 HydrophobicContact CE2-CE1 4.24Å; F289-Y544 AromaticContact CZ-CE1 3.64Å; F289-Y544 HydrophobicContact CZ-CE1 3.64Å; L294-Y544 HydrophobicContact CD1-CE2 4.49Å; L294-Y544 HydrophobicContact CD2-CD2 4.22Å; L294-Y544 HydrophobicContact CD2-CE2 3.8Å; L488-Y544 HydrophobicContact CD1-CD1 3.78Å; L488-Y544 HydrophobicContact CD1-CD2 4.48Å; L488-Y544 HydrophobicContact CD1-CE1 4.1Å; L488-Y544 HydrophobicContact CD1-CG 3.98Å; L488-Y544 HydrophobicContact CD2-CD1 4.36Å; L488-Y544 HydrophobicContact CD2-CD2 4.07Å; L488-Y544 HydrophobicContact CD2-CG 3.73Å; L536-Y544 CarbonylContact C-O 3.55Å; L536-Y544 WeakPolarHBondContact CA-O 3.37Å; G537-Y544 PolarHBondContact N-O 2.77Å; G537-Y544 PolarHBondContact O-N 2.74Å; D542-Y544 PolarHBondContact O-N 2.86Å; Y544-V546 HydrophobicContact CE1-CB 4.24Å; Y544-V546 HydrophobicContact CE1-CG1 3.55Å
545	K	93.8	Very high	81.6	Confident	127 Å²	127	68 Å²	68	55%	0.552	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.4	125.5	174.4	172.2	167.2	168.5	145.7	0	109.4	E534 V535 L536	E534-K545 WeakPolarHBondContact OE1-CD 3.46Å; E534-K545 WeakPolarHBondContact OE1-CE 3.31Å; E534-K545 IonicContact OE1-NZ 2.86Å; E534-K545 PolarHBondContact OE1-NZ 2.84Å; V535-K545 WeakPolarHBondContact O-CA 3.33Å; L536-K545 HydrophobicContact CD2-CB 3.92Å; L536-K545 HydrophobicContact CD2-CD 3.87Å; L536-K545 HydrophobicContact CD2-CG 3.77Å
546	V	92.8	Very high	79.5	Confident	29 Å²	29	74.2 Å²	74.2	18%	0.176	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.2	173.3	63.3	0	0	0	0	109.3	V275 F289 E534 V535 Y544	V275-V546 HydrophobicContact CG1-CB 4.39Å; V275-V546 HydrophobicContact CG1-CG1 4.05Å; V275-V546 HydrophobicContact CG1-CG2 3.89Å; F289-V546 HydrophobicContact CE2-CG1 4.48Å; E534-V546 WeakPolarHBondContact CA-O 3.45Å; V535-V546 HydrophobicContact CB-CG1 3.79Å; V535-V546 HydrophobicContact CG2-CG1 4.35Å; V535-V546 PolarHBondContact N-O 2.59Å; V535-V546 PolarHBondContact O-N 3Å; Y544-V546 HydrophobicContact CE1-CB 4.24Å; Y544-V546 HydrophobicContact CE1-CG1 3.55Å
547	Q	90.7	Very high	77.1	Confident	99 Å²	99	77 Å²	77	46%	0.463	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.1	178.9	-73.3	-177.6	-25.3	0	0	109.4	V533 E534	V533-Q547 WeakPolarHBondContact O-CA 3.35Å; E534-Q547 HydrophobicContact CB-CG 3.89Å; E534-Q547 HydrophobicContact CG-CG 3.71Å; E534-Q547 PolarHBondContact OE1-NE2 2.93Å; E534-Q547 PolarHBondContact OE2-NE2 2.98Å
548	G	84.5	Confident	74.7	Confident	18 Å²	18	79.8 Å²	79.8	19%	0.186	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	152.8	-173.5	0	0	0	0	0	111.3	V533	V533-G548 PolarHBondContact N-O 2.9Å; V533-G548 PolarHBondContact O-N 2.8Å
549	Q	77.9	Confident	72.8	Confident	125 Å²	125	76.5 Å²	76.5	58%	0.584	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.5	174.6	-74	-178.7	-29.9	0	0	109.4	L532	L532-Q549 HydrophobicContact CD1-CG 4.23Å
550	A	71.8	Confident	70.8	Confident	12 Å²	12	80.6 Å²	80.6	10%	0.099	42%	0.42	C	S	.	.			trans	-64	139.6	168.4	0	0	0	0	0	110	I278 I280 F531 V552	I278-A550 HydrophobicContact CB-CB 3.89Å; I278-A550 HydrophobicContact CD1-CB 4.09Å; I278-A550 HydrophobicContact CG2-CB 3.55Å; I280-A550 HydrophobicContact CD1-CB 3.82Å; I280-A550 HydrophobicContact CG1-CB 4.49Å; F531-A550 HydrophobicContact CB-CB 4.08Å; F531-A550 HydrophobicContact CD1-CB 3.5Å; F531-A550 HydrophobicContact CE1-CB 4.36Å; F531-A550 HydrophobicContact CG-CB 4.19Å; F531-A550 PolarHBondContact O-N 2.77Å; A550-V552 PolarHBondContact O-N 2.72Å
551	S	61.3	Low	68.6	Low	63 Å²	63	84.4 Å²	84.4	44%	0.441	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-83.9	110.9	172.9	-59.2	0	0	0	0	107.8	F553	S551-F553 VanDerWaalsContact O-CD2 3.31Å; S551-F553 WeakPolarHBondContact O-CD2 3.37Å; S551-F553 PolarHBondContact O-N 2.75Å; S551-F553 VanDerWaalsContact O-N 3.16Å
552	V	57.4	Low	66.9	Low	72 Å²	72	81.1 Å²	81.1	44%	0.436	43%	0.428	S	S	.	.			trans	-75.2	103.5	169.9	-175.9	0	0	0	0	107.1	L528 A550	L528-V552 HydrophobicContact CB-CG1 4.42Å; L528-V552 HydrophobicContact CB-CG2 3.43Å; L528-V552 VanDerWaalsContact CB-CG2 3.43Å; L528-V552 HydrophobicContact CD1-CB 4.49Å; L528-V552 HydrophobicContact CD1-CG1 3.61Å; L528-V552 HydrophobicContact CD1-CG2 4.03Å; L528-V552 HydrophobicContact CG-CG2 4.24Å; A550-V552 PolarHBondContact O-N 2.72Å
553	F	60.5	Low	64.8	Low	76 Å²	76	82 Å²	82	33%	0.333	44%	0.438	S	S	.	.			trans	-89.3	116.1	177.5	-63.8	-69.9	0	0	0	109.5	S551 W555	S551-F553 VanDerWaalsContact O-CD2 3.31Å; S551-F553 WeakPolarHBondContact O-CD2 3.37Å; S551-F553 PolarHBondContact O-N 2.75Å; S551-F553 VanDerWaalsContact O-N 3.16Å; F553-W555 PolarHBondContact O-N 2.53Å; F553-W555 VanDerWaalsContact O-N 3.16Å
554	D	53.8	Low	62.6	Low	87 Å²	87	81.6 Å²	81.6	47%	0.465	43%	0.428	S	S	.	.			trans	-73	104.8	165.5	-172.6	-12.6	0	0	0	108.7	N556 V557 M558	D554-N556 PolarHBondContact O-N 3.49Å; D554-N556 WeakPolarHBondContact OD1-CB 3.5Å; D554-N556 PolarHBondContact OD1-N 2.85Å; D554-V557 HydrophobicContact CB-CB 4.06Å; D554-V557 HydrophobicContact CB-CG2 3.86Å; D554-V557 PolarHBondContact O-N 3.01Å; D554-V557 WeakPolarHBondContact OD2-CG2 3.41Å; D554-M558 PolarHBondContact O-N 3.37Å; D554-M558 VanDerWaalsContact O-N 3.13Å
555	W	54.6	Low	60.7	Low	49 Å²	49	82.4 Å²	82.4	19%	0.186	44%	0.435	C	S	.	.	H	α-helix	trans	-58.2	-31.7	179.3	-80.6	77.9	0	0	0	112.5	T71 V281 F553 V557 M558 Y559 F569	T71-W555 HydrophobicContact CG2-CH2 4.35Å; V281-W555 HydrophobicContact CG1-CG 4.37Å; V281-W555 HydrophobicContact CG2-CZ2 4.14Å; F553-W555 PolarHBondContact O-N 2.53Å; F553-W555 VanDerWaalsContact O-N 3.16Å; W555-V557 VanDerWaalsContact C-N 3.27Å; W555-V557 PolarHBondContact O-N 3.24Å; W555-M558 PolarHBondContact O-N 3.5Å; W555-Y559 HydrophobicContact CB-CD2 4.29Å; W555-Y559 AromaticContact CD2-CD2 3.81Å; W555-Y559 HydrophobicContact CD2-CD2 3.81Å; W555-Y559 AromaticContact CD2-CE2 3.72Å; W555-Y559 HydrophobicContact CD2-CE2 3.72Å; W555-Y559 AromaticContact CE3-CD2 3.12Å; W555-Y559 HydrophobicContact CE3-CD2 3.12Å; W555-Y559 AromaticContact CE3-CE2 3.2Å; W555-Y559 HydrophobicContact CE3-CE2 3.2Å; W555-Y559 HydrophobicContact CE3-CG 4.1Å; W555-Y559 HydrophobicContact CG-CD2 4.34Å; W555-Y559 HydrophobicContact CG-CE2 4.46Å; W555-Y559 AromaticContact CH2-CE2 3.94Å; W555-Y559 HydrophobicContact CH2-CE2 3.94Å; W555-Y559 HydrophobicContact CZ2-CE2 4.39Å; W555-Y559 AromaticContact CZ3-CD2 3.6Å; W555-Y559 HydrophobicContact CZ3-CD2 3.6Å; W555-Y559 AromaticContact CZ3-CE2 3.32Å; W555-Y559 HydrophobicContact CZ3-CE2 3.32Å; W555-Y559 HydrophobicContact CZ3-CG 4.38Å; W555-Y559 AromaticContact CZ3-CZ 3.93Å; W555-Y559 WeakPolarHBondContact O-CB 3.45Å; W555-Y559 WeakPolarHBondContact O-CD2 3.35Å; W555-Y559 PolarHBondContact O-N 2.66Å; W555-F569 AromaticContact CH2-CE1 3.62Å; W555-F569 HydrophobicContact CH2-CE1 3.62Å; W555-F569 AromaticContact CH2-CZ 3.63Å; W555-F569 HydrophobicContact CH2-CZ 3.63Å; W555-F569 AromaticContact CZ2-CE1 3.65Å; W555-F569 HydrophobicContact CZ2-CE1 3.65Å; W555-F569 AromaticContact CZ2-CZ 3.48Å; W555-F569 HydrophobicContact CZ2-CZ 3.48Å; W555-F569 VanDerWaalsContact CZ2-CZ 3.48Å; W555-F569 HydrophobicContact CZ3-CE1 4.19Å
556	N	51.2	Low	58.8	Low	130 Å²	130	78.5 Å²	78.5	70%	0.695	42%	0.418	S	S	*	.	H	α-helix	trans	-71.5	-24.4	178.6	-61.9	-51.6	0	0	0	112.4	D554	D554-N556 PolarHBondContact O-N 3.49Å; D554-N556 WeakPolarHBondContact OD1-CB 3.5Å; D554-N556 PolarHBondContact OD1-N 2.85Å
557	V	46.6	Very low	57.2	Low	113 Å²	113	78.3 Å²	78.3	69%	0.685	42%	0.422	S	S	*	.	H	α-helix	trans	-86.1	-31.9	178.4	175.7	0	0	0	0	111.2	D554 W555	D554-V557 HydrophobicContact CB-CB 4.06Å; D554-V557 HydrophobicContact CB-CG2 3.86Å; D554-V557 PolarHBondContact O-N 3.01Å; D554-V557 WeakPolarHBondContact OD2-CG2 3.41Å; W555-V557 VanDerWaalsContact C-N 3.27Å; W555-V557 PolarHBondContact O-N 3.24Å
558	M	44.5	Very low	56.2	Low	67 Å²	67	77.2 Å²	77.2	33%	0.33	42%	0.419	S	S	.	.	H	α-helix	trans	-89.4	-25.3	-179.2	-161.1	179.2	-177.2	0	0	113.3	D554 W555 P560	D554-M558 PolarHBondContact O-N 3.37Å; D554-M558 VanDerWaalsContact O-N 3.13Å; W555-M558 PolarHBondContact O-N 3.5Å; M558-P560 VanDerWaalsContact C-CD 3.5Å
559	Y	54.3	Low	55.9	Low	27 Å²	27	77 Å²	77	11%	0.106	41%	0.413	C	S	.	.			trans	-133.2	57	-173.1	-49.6	-71.5	0	0	0	113.9	Y205 W555 D561 E562	Y205-Y559 AromaticContact CE1-CE1 3.47Å; Y205-Y559 HydrophobicContact CE1-CE1 3.47Å; Y205-Y559 VanDerWaalsContact CE1-CE1 3.47Å; Y205-Y559 AromaticContact CE1-CZ 3.54Å; Y205-Y559 WeakPolarHBondContact CE1-OH 3.44Å; Y205-Y559 HydrophobicContact CE2-CE1 4.25Å; Y205-Y559 AromaticContact CZ-CE1 3.31Å; Y205-Y559 AromaticContact CZ-CZ 3.67Å; Y205-Y559 VanDerWaalsContact CZ-OH 3.27Å; Y205-Y559 WeakPolarHBondContact OH-CE1 3.26Å; Y205-Y559 PolarHBondContact OH-OH 3.07Å; W555-Y559 HydrophobicContact CB-CD2 4.29Å; W555-Y559 AromaticContact CD2-CD2 3.81Å; W555-Y559 HydrophobicContact CD2-CD2 3.81Å; W555-Y559 AromaticContact CD2-CE2 3.72Å; W555-Y559 HydrophobicContact CD2-CE2 3.72Å; W555-Y559 AromaticContact CE3-CD2 3.12Å; W555-Y559 HydrophobicContact CE3-CD2 3.12Å; W555-Y559 AromaticContact CE3-CE2 3.2Å; W555-Y559 HydrophobicContact CE3-CE2 3.2Å; W555-Y559 HydrophobicContact CE3-CG 4.1Å; W555-Y559 HydrophobicContact CG-CD2 4.34Å; W555-Y559 HydrophobicContact CG-CE2 4.46Å; W555-Y559 AromaticContact CH2-CE2 3.94Å; W555-Y559 HydrophobicContact CH2-CE2 3.94Å; W555-Y559 HydrophobicContact CZ2-CE2 4.39Å; W555-Y559 AromaticContact CZ3-CD2 3.6Å; W555-Y559 HydrophobicContact CZ3-CD2 3.6Å; W555-Y559 AromaticContact CZ3-CE2 3.32Å; W555-Y559 HydrophobicContact CZ3-CE2 3.32Å; W555-Y559 HydrophobicContact CZ3-CG 4.38Å; W555-Y559 AromaticContact CZ3-CZ 3.93Å; W555-Y559 WeakPolarHBondContact O-CB 3.45Å; W555-Y559 WeakPolarHBondContact O-CD2 3.35Å; W555-Y559 PolarHBondContact O-N 2.66Å; Y559-D561 PolarHBondContact O-N 3.36Å; Y559-D561 VanDerWaalsContact O-N 3.16Å; Y559-E562 PolarHBondContact O-N 2.92Å
560	P	48.3	Very low	56.3	Low	98 Å²	98	71.1 Å²	71.1	64%	0.636	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.3	-177.8	26.8	-35	0	0	0	113.8	M558	M558-P560 VanDerWaalsContact C-CD 3.5Å
561	D	41.8	Very low	57.1	Low	157 Å²	157	72.4 Å²	72.4	84%	0.84	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-1.7	-174.5	-61.7	-43	0	0	0	113.8	Y559	Y559-D561 PolarHBondContact O-N 3.36Å; Y559-D561 VanDerWaalsContact O-N 3.16Å
562	E	47.4	Very low	58.5	Low	73 Å²	73	71.6 Å²	71.6	34%	0.341	38%	0.377	S	S	.	.			trans	-109.8	113.9	178.4	-60.2	-153.2	172	0	0	110.7	K236 Y559 Y564 I565	K236-E562 IonicContact NZ-OE1 2.63Å; K236-E562 PolarHBondContact NZ-OE1 3.36Å; Y559-E562 PolarHBondContact O-N 2.92Å; E562-Y564 PolarHBondContact O-N 3.37Å; E562-I565 WeakPolarHBondContact OE2-CD1 3.13Å
563	T	43.3	Very low	60.1	Low	132 Å²	132	68.2 Å²	68.2	81%	0.81	36%	0.357	S	S	*	.			trans	-56.7	127.8	160	46.2	0	0	0	0	107.5	I565	T563-I565 PolarHBondContact O-N 2.83Å
564	Y	46.9	Very low	61.7	Low	114 Å²	114	65.1 Å²	65.1	45%	0.447	34%	0.343	S	S	.	.			trans	-20.3	105.9	168.3	-115.3	-76.6	0	0	0	111.1	N282 E562 F566 G567	N282-Y564 PolarHBondContact ND2-OH 3.01Å; N282-Y564 PolarHBondContact OD1-OH 3.26Å; E562-Y564 PolarHBondContact O-N 3.37Å; Y564-F566 PolarHBondContact O-N 3.17Å; Y564-G567 WeakPolarHBondContact CD1-O 3.32Å; Y564-G567 WeakPolarHBondContact CE1-O 3.27Å
565	I	51.4	Low	63.6	Low	62 Å²	62	61 Å²	61	32%	0.318	32%	0.321	S	S	.	.	S	Bend	trans	-55.3	-31.1	-167.4	-55	177.5	0	0	0	110.1	T69 E562 T563	T69-I565 HydrophobicContact CG2-CG2 3.5Å; E562-I565 WeakPolarHBondContact OE2-CD1 3.13Å; T563-I565 PolarHBondContact O-N 2.83Å
566	F	53.4	Low	65.5	Low	46 Å²	46	59.1 Å²	59.1	20%	0.202	31%	0.313	C	S	.	.	S	Bend	trans	-161.6	39.6	166	40.3	-92.2	0	0	0	115	F74 H76 Y564 F569	F74-F566 HydrophobicContact CD1-CE2 4.04Å; F74-F566 HydrophobicContact CD1-CZ 4.21Å; F74-F566 HydrophobicContact CE1-CE2 4.23Å; H76-F566 HydrophobicContact CB-CD1 4.22Å; H76-F566 HydrophobicContact CB-CE1 3.87Å; H76-F566 HydrophobicContact CB-CZ 4.04Å; Y564-F566 PolarHBondContact O-N 3.17Å; F566-F569 HydrophobicContact CD2-CB 3.78Å; F566-F569 HydrophobicContact CE2-CB 3.2Å; F566-F569 HydrophobicContact CE2-CG 4.34Å; F566-F569 HydrophobicContact CZ-CB 3.9Å
567	G	60.6	Low	67.6	Low	25 Å²	25	54 Å²	54	26%	0.258	29%	0.286	S	S	.	.	S	Bend	trans	72.2	-139.5	-179.4	0	0	0	0	0	112.9	Y564 F569	Y564-G567 WeakPolarHBondContact CD1-O 3.32Å; Y564-G567 WeakPolarHBondContact CE1-O 3.27Å; G567-F569 VanDerWaalsContact C-N 3.26Å; G567-F569 PolarHBondContact O-N 2.99Å
568	D	68.8	Low	69.9	Low	75 Å²	75	48.6 Å²	48.6	40%	0.401	25%	0.253	S	S	.	.			trans	-68.2	53.6	-169.4	-53.9	-60.5	0	0	0	116.3	N282 T570 E571 R572	N282-D568 PolarHBondContact ND2-OD1 3.03Å; D568-T570 VanDerWaalsContact C-N 3.3Å; D568-T570 PolarHBondContact O-N 3.32Å; D568-E571 HydrophobicContact CB-CB 3.89Å; D568-E571 WeakPolarHBondContact O-CB 3.28Å; D568-E571 PolarHBondContact O-N 3.16Å; D568-E571 VanDerWaalsContact O-N 3.12Å; D568-R572 WeakPolarHBondContact O-CG 3.13Å; D568-R572 PolarHBondContact O-N 2.95Å
569	F	79.1	Confident	72.3	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.057	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-35.9	-174	82.8	-89.9	0	0	0	113.7	T71 N72 V281 W555 F566 G567 E571 R572 L573	T71-F569 HydrophobicContact CG2-CE2 4.23Å; T71-F569 HydrophobicContact CG2-CZ 4.2Å; N72-F569 HydrophobicContact CB-CE2 4.39Å; N72-F569 WeakPolarHBondContact ND2-CZ 3.35Å; V281-F569 HydrophobicContact CG2-CZ 4.46Å; W555-F569 AromaticContact CH2-CE1 3.62Å; W555-F569 HydrophobicContact CH2-CE1 3.62Å; W555-F569 AromaticContact CH2-CZ 3.63Å; W555-F569 HydrophobicContact CH2-CZ 3.63Å; W555-F569 AromaticContact CZ2-CE1 3.65Å; W555-F569 HydrophobicContact CZ2-CE1 3.65Å; W555-F569 AromaticContact CZ2-CZ 3.48Å; W555-F569 HydrophobicContact CZ2-CZ 3.48Å; W555-F569 VanDerWaalsContact CZ2-CZ 3.48Å; W555-F569 HydrophobicContact CZ3-CE1 4.19Å; F566-F569 HydrophobicContact CD2-CB 3.78Å; F566-F569 HydrophobicContact CE2-CB 3.2Å; F566-F569 HydrophobicContact CE2-CG 4.34Å; F566-F569 HydrophobicContact CZ-CB 3.9Å; G567-F569 VanDerWaalsContact C-N 3.26Å; G567-F569 PolarHBondContact O-N 2.99Å; F569-E571 VanDerWaalsContact C-N 3.33Å; F569-R572 PolarHBondContact O-N 3.44Å; F569-L573 VanDerWaalsContact O-CB 3.32Å; F569-L573 WeakPolarHBondContact O-CB 2.99Å; F569-L573 PolarHBondContact O-N 3.07Å
570	T	85.1	Confident	74.2	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-39	178.8	-51.4	0	0	0	0	110.7	V281 V286 D568 W574	V281-T570 HydrophobicContact CB-CG2 4.23Å; V281-T570 WeakPolarHBondContact CB-OG1 3.49Å; V281-T570 HydrophobicContact CG2-CG2 4.21Å; V281-T570 WeakPolarHBondContact CG2-OG1 3.3Å; V286-T570 HydrophobicContact CG2-CG2 3.8Å; D568-T570 VanDerWaalsContact C-N 3.3Å; D568-T570 PolarHBondContact O-N 3.32Å; T570-W574 WeakPolarHBondContact O-CB 3.2Å; T570-W574 PolarHBondContact O-N 3.47Å
571	E	88.7	Confident	76.3	Confident	38 Å²	38	43.8 Å²	43.8	18%	0.178	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-45.4	170.7	178.9	175.8	168.2	0	0	111.2	Y284 D568 F569 L573 W574 A575 Y608	Y284-E571 HydrophobicContact CD1-CB 4.42Å; Y284-E571 HydrophobicContact CD1-CG 4.44Å; Y284-E571 HydrophobicContact CD2-CB 3.65Å; Y284-E571 HydrophobicContact CD2-CG 4.1Å; Y284-E571 HydrophobicContact CE1-CB 4.38Å; Y284-E571 HydrophobicContact CE1-CG 3.94Å; Y284-E571 HydrophobicContact CE2-CB 3.6Å; Y284-E571 HydrophobicContact CE2-CG 3.55Å; Y284-E571 WeakPolarHBondContact CE2-OE2 3.14Å; Y284-E571 HydrophobicContact CG-CB 4.07Å; Y284-E571 VanDerWaalsContact CZ-CG 3.46Å; Y284-E571 PolarHBondContact OH-OE1 3.04Å; D568-E571 HydrophobicContact CB-CB 3.89Å; D568-E571 WeakPolarHBondContact O-CB 3.28Å; D568-E571 PolarHBondContact O-N 3.16Å; D568-E571 VanDerWaalsContact O-N 3.12Å; F569-E571 VanDerWaalsContact C-N 3.33Å; E571-L573 VanDerWaalsContact C-N 3.34Å; E571-L573 PolarHBondContact O-N 3.12Å; E571-W574 HydrophobicContact CG-CE3 4.47Å; E571-W574 WeakPolarHBondContact O-CB 3.45Å; E571-W574 PolarHBondContact O-N 3.25Å; E571-A575 WeakPolarHBondContact O-CB 3.26Å; E571-A575 PolarHBondContact O-N 3.04Å; E571-Y608 HydrophobicContact CG-CE1 3.8Å; E571-Y608 WeakPolarHBondContact CG-OH 3.31Å; E571-Y608 VanDerWaalsContact OE1-CE1 3.29Å; E571-Y608 WeakPolarHBondContact OE1-CE1 3.45Å; E571-Y608 PolarHBondContact OE1-OH 3.47Å
572	R	90.4	Very high	78.7	Confident	47 Å²	47	37 Å²	37	18%	0.177	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-37.8	178.1	-66.4	-170.7	67.9	71.1	8.7	112.4	F74 E173 D568 F569 A575 Y576 Y608 F610	F74-R572 HydrophobicContact CE1-CB 4.37Å; F74-R572 HydrophobicContact CZ-CB 4.36Å; E173-R572 IonicContact OE1-CZ 3.97Å; E173-R572 IonicContact OE1-NE 3.92Å; E173-R572 PolarHBondContact OE1-NE 3.38Å; E173-R572 IonicContact OE1-NH2 2.66Å; E173-R572 IonicContact OE2-CZ 2.65Å; E173-R572 VanDerWaalsContact OE2-CZ 3.22Å; E173-R572 IonicContact OE2-NE 2.8Å; E173-R572 PolarHBondContact OE2-NE 3.11Å; E173-R572 IonicContact OE2-NH2 3.56Å; E173-R572 PolarHBondContact OE2-NH2 2.99Å; D568-R572 WeakPolarHBondContact O-CG 3.13Å; D568-R572 PolarHBondContact O-N 2.95Å; F569-R572 PolarHBondContact O-N 3.44Å; R572-A575 PolarHBondContact O-N 3.01Å; R572-Y576 VanDerWaalsContact O-CB 3.3Å; R572-Y576 WeakPolarHBondContact O-CB 3.38Å; R572-Y576 PolarHBondContact O-N 2.73Å; R572-Y608 PolarHBondContact NH1-O 2.97Å; R572-Y608 PolarHBondContact NH2-O 3.11Å; R572-F610 VanDerWaalsContact NH2-CZ 3.32Å
573	L	91.8	Very high	80.7	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-47.4	173.8	-170.5	167.7	0	0	0	110.2	F74 L175 V286 F288 A520 F569 E571 A575 Y576 L577	F74-L573 HydrophobicContact CB-CD1 4.04Å; F74-L573 HydrophobicContact CD2-CB 4.08Å; F74-L573 HydrophobicContact CD2-CD1 4.37Å; F74-L573 HydrophobicContact CD2-CG 4Å; F74-L573 HydrophobicContact CE2-CB 4.36Å; F74-L573 HydrophobicContact CG-CB 4.37Å; F74-L573 HydrophobicContact CG-CD1 4.43Å; F74-L573 HydrophobicContact CG-CG 4.46Å; L175-L573 HydrophobicContact CD1-CD1 4.01Å; L175-L573 HydrophobicContact CD1-CD2 4.44Å; L175-L573 HydrophobicContact CD1-CG 4.15Å; L175-L573 HydrophobicContact CD2-CD2 4.39Å; V286-L573 HydrophobicContact CB-CD2 4.43Å; V286-L573 HydrophobicContact CG1-CD1 4.11Å; V286-L573 HydrophobicContact CG1-CD2 3.82Å; V286-L573 HydrophobicContact CG2-CB 4.5Å; V286-L573 HydrophobicContact CG2-CD1 4.07Å; V286-L573 HydrophobicContact CG2-CD2 3.66Å; V286-L573 HydrophobicContact CG2-CG 4.28Å; F288-L573 HydrophobicContact CZ-CD1 4.36Å; A520-L573 HydrophobicContact CB-CD2 4.4Å; F569-L573 VanDerWaalsContact O-CB 3.32Å; F569-L573 WeakPolarHBondContact O-CB 2.99Å; F569-L573 PolarHBondContact O-N 3.07Å; E571-L573 VanDerWaalsContact C-N 3.34Å; E571-L573 PolarHBondContact O-N 3.12Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.95Å; L573-Y576 PolarHBondContact O-N 2.78Å; L573-L577 WeakPolarHBondContact O-CB 3.31Å; L573-L577 PolarHBondContact O-N 2.75Å
574	W	94.2	Very high	82.8	Confident	11 Å²	11	30.7 Å²	30.7	4%	0.042	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-46.5	173.4	166.2	79	0	0	0	111.8	Y284 Y502 A520 T570 E571 L577 T578 M604 Y608	Y284-W574 HydrophobicContact CD1-CB 4.12Å; Y284-W574 AromaticContact CD1-CD2 3.87Å; Y284-W574 HydrophobicContact CD1-CD2 3.87Å; Y284-W574 AromaticContact CD1-CE3 3.99Å; Y284-W574 HydrophobicContact CD1-CE3 3.99Å; Y284-W574 AromaticContact CD1-CG 3.91Å; Y284-W574 HydrophobicContact CD1-CG 3.91Å; Y284-W574 AromaticContact CE1-CD2 3.79Å; Y284-W574 HydrophobicContact CE1-CD2 3.79Å; Y284-W574 AromaticContact CE1-CE3 3.52Å; Y284-W574 HydrophobicContact CE1-CE3 3.52Å; Y284-W574 HydrophobicContact CE1-CG 4.34Å; Y284-W574 HydrophobicContact CE1-CH2 4.47Å; Y284-W574 AromaticContact CE1-CZ3 3.89Å; Y284-W574 HydrophobicContact CE1-CZ3 3.89Å; Y502-W574 AromaticContact CD1-CE2 3.92Å; Y502-W574 AromaticContact CD1-CZ2 3.74Å; Y502-W574 HydrophobicContact CD1-CZ2 3.74Å; Y502-W574 AromaticContact CD1-NE1 3.47Å; Y502-W574 HydrophobicContact CE1-CZ2 4.23Å; Y502-W574 HydrophobicContact CG-CZ2 4.31Å; A520-W574 HydrophobicContact CB-CB 4.03Å; A520-W574 HydrophobicContact CB-CG 4.4Å; T570-W574 WeakPolarHBondContact O-CB 3.2Å; T570-W574 PolarHBondContact O-N 3.47Å; E571-W574 HydrophobicContact CG-CE3 4.47Å; E571-W574 WeakPolarHBondContact O-CB 3.45Å; E571-W574 PolarHBondContact O-N 3.25Å; W574-L577 PolarHBondContact O-N 3.5Å; W574-T578 PolarHBondContact NE1-OG1 3.27Å; W574-T578 WeakPolarHBondContact O-CB 3.49Å; W574-T578 PolarHBondContact O-N 3.36Å; W574-T578 PolarHBondContact O-OG1 3.12Å; W574-M604 HydrophobicContact CE3-CE 4.37Å; W574-M604 HydrophobicContact CH2-CE 3.57Å; W574-M604 HydrophobicContact CZ2-CE 4.18Å; W574-M604 HydrophobicContact CZ3-CE 3.67Å; W574-Y608 HydrophobicContact CZ3-CE2 4.26Å
575	A	94.1	Very high	84.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-46.2	177.8	0	0	0	0	0	111.4	E571 R572 L573 L577 T578 I579 M604 Y608 F610	E571-A575 WeakPolarHBondContact O-CB 3.26Å; E571-A575 PolarHBondContact O-N 3.04Å; R572-A575 PolarHBondContact O-N 3.01Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.95Å; A575-L577 PolarHBondContact O-N 2.88Å; A575-T578 PolarHBondContact O-N 3.19Å; A575-I579 WeakPolarHBondContact O-CB 3.5Å; A575-I579 WeakPolarHBondContact O-CD1 3.38Å; A575-I579 WeakPolarHBondContact O-CG1 3.34Å; A575-I579 PolarHBondContact O-N 2.88Å; A575-M604 HydrophobicContact CB-CE 4.3Å; A575-Y608 HydrophobicContact CB-CD1 3.91Å; A575-Y608 HydrophobicContact CB-CD2 3.48Å; A575-Y608 VanDerWaalsContact CB-CD2 3.48Å; A575-Y608 HydrophobicContact CB-CE1 3.96Å; A575-Y608 HydrophobicContact CB-CE2 3.52Å; A575-Y608 HydrophobicContact CB-CG 3.69Å; A575-F610 HydrophobicContact CB-CE2 4.24Å
576	Y	94.8	Very high	86.4	Confident	9 Å²	9	28.7 Å²	28.7	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-55.9	-51.9	176.1	172.9	-82.3	0	0	0	111.1	F74 S102 F104 L175 R572 L573 I579 Q580	F74-Y576 HydrophobicContact CE2-CD2 4.48Å; F74-Y576 HydrophobicContact CE2-CG 4.21Å; S102-Y576 WeakPolarHBondContact O-CE2 3.47Å; S102-Y576 PolarHBondContact O-OH 3.41Å; F104-Y576 AromaticContact CD2-CD2 3.38Å; F104-Y576 HydrophobicContact CD2-CD2 3.38Å; F104-Y576 AromaticContact CD2-CE2 3.64Å; F104-Y576 HydrophobicContact CD2-CE2 3.64Å; F104-Y576 HydrophobicContact CD2-CG 4.37Å; F104-Y576 AromaticContact CE2-CD2 3.68Å; F104-Y576 HydrophobicContact CE2-CD2 3.68Å; F104-Y576 AromaticContact CE2-CE2 3.85Å; F104-Y576 HydrophobicContact CE2-CE2 3.85Å; F104-Y576 HydrophobicContact CE2-CG 4.37Å; F104-Y576 HydrophobicContact CG-CD2 4.3Å; F104-Y576 HydrophobicContact CG-CE2 4.24Å; L175-Y576 HydrophobicContact CB-CD1 3.78Å; L175-Y576 HydrophobicContact CB-CE1 3.45Å; L175-Y576 VanDerWaalsContact CB-CE1 3.45Å; R572-Y576 VanDerWaalsContact O-CB 3.3Å; R572-Y576 WeakPolarHBondContact O-CB 3.38Å; R572-Y576 PolarHBondContact O-N 2.73Å; L573-Y576 PolarHBondContact O-N 2.78Å; Y576-I579 PolarHBondContact O-N 2.93Å; Y576-Q580 HydrophobicContact CD1-CG 4.3Å; Y576-Q580 HydrophobicContact CE1-CG 3.91Å; Y576-Q580 VanDerWaalsContact O-CG 3.3Å; Y576-Q580 WeakPolarHBondContact O-CG 3.36Å; Y576-Q580 PolarHBondContact O-N 2.9Å
577	L	94.8	Very high	87.7	Confident	22 Å²	22	29.9 Å²	29.9	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-40.5	-177.3	-173.1	61.4	0	0	0	111.3	L175 T504 V518 A520 L573 W574 A575 Q580 Q581	L175-L577 HydrophobicContact CD2-CD1 4.25Å; T504-L577 HydrophobicContact CG2-CB 4.41Å; T504-L577 HydrophobicContact CG2-CD2 4.06Å; T504-L577 HydrophobicContact CG2-CG 4.05Å; V518-L577 HydrophobicContact CG1-CD2 4.24Å; A520-L577 HydrophobicContact CB-CD2 3.98Å; L573-L577 WeakPolarHBondContact O-CB 3.31Å; L573-L577 PolarHBondContact O-N 2.75Å; W574-L577 PolarHBondContact O-N 3.5Å; A575-L577 PolarHBondContact O-N 2.88Å; L577-Q580 PolarHBondContact O-N 2.79Å; L577-Q581 WeakPolarHBondContact O-CG 3.43Å; L577-Q581 PolarHBondContact O-N 2.81Å
578	T	95.4	Very high	88.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-46.8	176.6	-60.3	0	0	0	0	111.3	Y502 W574 A575 Q580 Q581 L582 M604	Y502-T578 HydrophobicContact CE1-CG2 3.64Å; W574-T578 PolarHBondContact NE1-OG1 3.27Å; W574-T578 WeakPolarHBondContact O-CB 3.49Å; W574-T578 PolarHBondContact O-N 3.36Å; W574-T578 PolarHBondContact O-OG1 3.12Å; A575-T578 PolarHBondContact O-N 3.19Å; T578-Q580 PolarHBondContact O-N 2.77Å; T578-Q581 PolarHBondContact O-N 2.97Å; T578-L582 HydrophobicContact CG2-CD1 3.89Å; T578-L582 HydrophobicContact CG2-CG 4.35Å; T578-L582 WeakPolarHBondContact O-CB 3.36Å; T578-L582 VanDerWaalsContact O-CG 3.27Å; T578-L582 WeakPolarHBondContact O-CG 3.42Å; T578-L582 PolarHBondContact O-N 3.33Å; T578-M604 HydrophobicContact CG2-CE 3.78Å; T578-M604 HydrophobicContact CG2-SD 3.62Å
579	I	95.1	Very high	88.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-45.7	177.3	-72	164.5	0	0	0	110.6	F104 A575 Y576 Q581 L582 L583 M604 F610 T612	F104-I579 HydrophobicContact CE2-CB 4.47Å; F104-I579 HydrophobicContact CE2-CG2 3.98Å; F104-I579 HydrophobicContact CZ-CG2 4.04Å; A575-I579 WeakPolarHBondContact O-CB 3.5Å; A575-I579 WeakPolarHBondContact O-CD1 3.38Å; A575-I579 WeakPolarHBondContact O-CG1 3.34Å; A575-I579 PolarHBondContact O-N 2.88Å; Y576-I579 PolarHBondContact O-N 2.93Å; I579-Q581 VanDerWaalsContact C-N 3.33Å; I579-Q581 PolarHBondContact O-N 3.35Å; I579-L582 PolarHBondContact O-N 2.8Å; I579-L583 HydrophobicContact CG2-CD1 3.85Å; I579-L583 HydrophobicContact CG2-CG 4.26Å; I579-L583 WeakPolarHBondContact O-CB 3.47Å; I579-L583 VanDerWaalsContact O-CG 3.25Å; I579-L583 WeakPolarHBondContact O-CG 3.15Å; I579-L583 PolarHBondContact O-N 3.3Å; I579-M604 HydrophobicContact CD1-CB 3.89Å; I579-M604 HydrophobicContact CG1-CB 3.68Å; I579-F610 HydrophobicContact CD1-CD2 3.59Å; I579-F610 HydrophobicContact CD1-CE2 4.24Å; I579-T612 HydrophobicContact CG2-CG2 3.97Å
580	Q	92.4	Very high	89.2	Confident	48 Å²	48	32.3 Å²	32.3	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-47.3	176.2	-74.4	-77.2	-7.1	0	0	111.2	F104 Y576 L577 T578 L582 L583 E584	F104-Q580 HydrophobicContact CE2-CG 4.11Å; F104-Q580 HydrophobicContact CZ-CG 4.01Å; Y576-Q580 HydrophobicContact CD1-CG 4.3Å; Y576-Q580 HydrophobicContact CE1-CG 3.91Å; Y576-Q580 VanDerWaalsContact O-CG 3.3Å; Y576-Q580 WeakPolarHBondContact O-CG 3.36Å; Y576-Q580 PolarHBondContact O-N 2.9Å; L577-Q580 PolarHBondContact O-N 2.79Å; T578-Q580 PolarHBondContact O-N 2.77Å; Q580-L582 PolarHBondContact O-N 2.96Å; Q580-L583 PolarHBondContact O-N 2.95Å; Q580-E584 WeakPolarHBondContact O-CG 3.04Å; Q580-E584 PolarHBondContact O-N 2.88Å
581	Q	92.5	Very high	89.1	Confident	43 Å²	43	35.9 Å²	35.9	20%	0.201	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-37	178.5	-70.6	-179.7	1.8	0	0	113.2	T505 L577 T578 I579 E584 K585	T505-Q581 PolarHBondContact OG1-OE1 3.15Å; L577-Q581 WeakPolarHBondContact O-CG 3.43Å; L577-Q581 PolarHBondContact O-N 2.81Å; T578-Q581 PolarHBondContact O-N 2.97Å; I579-Q581 VanDerWaalsContact C-N 3.33Å; I579-Q581 PolarHBondContact O-N 3.35Å; Q581-E584 PolarHBondContact O-N 3.03Å; Q581-K585 WeakPolarHBondContact O-CB 3.47Å; Q581-K585 PolarHBondContact O-N 2.96Å
582	L	93.3	Very high	89.1	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-38.8	174.9	-69.9	168.8	0	0	0	112	T578 I579 Q580 E584 K585 S586 A597 K600 A601 M604	T578-L582 HydrophobicContact CG2-CD1 3.89Å; T578-L582 HydrophobicContact CG2-CG 4.35Å; T578-L582 WeakPolarHBondContact O-CB 3.36Å; T578-L582 VanDerWaalsContact O-CG 3.27Å; T578-L582 WeakPolarHBondContact O-CG 3.42Å; T578-L582 PolarHBondContact O-N 3.33Å; I579-L582 PolarHBondContact O-N 2.8Å; Q580-L582 PolarHBondContact O-N 2.96Å; L582-E584 PolarHBondContact O-N 2.65Å; L582-K585 PolarHBondContact O-N 3.29Å; L582-S586 PolarHBondContact O-N 2.92Å; L582-A597 HydrophobicContact CD2-CB 4.4Å; L582-K600 HydrophobicContact CD1-CB 4.08Å; L582-K600 HydrophobicContact CD1-CD 4.06Å; L582-K600 HydrophobicContact CD1-CG 3.79Å; L582-K600 HydrophobicContact CD2-CB 4.45Å; L582-K600 HydrophobicContact CD2-CD 4.25Å; L582-A601 HydrophobicContact CB-CB 3.82Å; L582-A601 HydrophobicContact CD1-CB 4.49Å; L582-M604 HydrophobicContact CD1-SD 3.95Å
583	L	89.9	Confident	89	Confident	13 Å²	13	41.8 Å²	41.8	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-27.5	173.7	-70.7	171.4	0	0	0	112.6	F104 I579 Q580 S586 A601 P613 L614	F104-L583 HydrophobicContact CZ-CD1 4.2Å; I579-L583 HydrophobicContact CG2-CD1 3.85Å; I579-L583 HydrophobicContact CG2-CG 4.26Å; I579-L583 WeakPolarHBondContact O-CB 3.47Å; I579-L583 VanDerWaalsContact O-CG 3.25Å; I579-L583 WeakPolarHBondContact O-CG 3.15Å; I579-L583 PolarHBondContact O-N 3.3Å; Q580-L583 PolarHBondContact O-N 2.95Å; L583-S586 PolarHBondContact O-OG 2.78Å; L583-A601 HydrophobicContact CD2-CB 4.13Å; L583-A601 HydrophobicContact CG-CB 4.36Å; L583-P613 HydrophobicContact CD1-CG 4.34Å; L583-L614 HydrophobicContact CD2-CD1 3.79Å; L583-L614 HydrophobicContact CD2-CG 3.93Å
584	E	86.5	Confident	88.8	Confident	60 Å²	60	45.2 Å²	45.2	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-78.8	-42.9	171.4	-67.2	-53	158.7	0	0	112	K457 Q580 Q581 L582 S586 K587	K457-E584 WeakPolarHBondContact CE-OE2 3.39Å; K457-E584 VanDerWaalsContact NZ-CD 3.27Å; K457-E584 IonicContact NZ-OE1 3.72Å; K457-E584 IonicContact NZ-OE2 3.57Å; K457-E584 PolarHBondContact NZ-OE2 2.66Å; Q580-E584 WeakPolarHBondContact O-CG 3.04Å; Q580-E584 PolarHBondContact O-N 2.88Å; Q581-E584 PolarHBondContact O-N 3.03Å; L582-E584 PolarHBondContact O-N 2.65Å; E584-S586 PolarHBondContact O-N 2.84Å; E584-K587 VanDerWaalsContact CD-NZ 3.32Å; E584-K587 WeakPolarHBondContact O-CB 3.24Å; E584-K587 PolarHBondContact O-N 2.71Å; E584-K587 IonicContact OE1-NZ 2.74Å; E584-K587 PolarHBondContact OE1-NZ 3.3Å; E584-K587 IonicContact OE2-NZ 2.82Å; E584-K587 PolarHBondContact OE2-NZ 2.91Å
585	K	87.3	Confident	88.6	Confident	107 Å²	107	47.3 Å²	47.3	47%	0.465	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-25.5	175.2	-169.3	171.2	-178.1	174.7	0	112.7	Q581 L582 K587 T588 A597	Q581-K585 WeakPolarHBondContact O-CB 3.47Å; Q581-K585 PolarHBondContact O-N 2.96Å; L582-K585 PolarHBondContact O-N 3.29Å; K585-K587 PolarHBondContact O-N 3.4Å; K585-T588 PolarHBondContact O-N 2.79Å; K585-A597 HydrophobicContact CB-CB 4.09Å; K585-A597 HydrophobicContact CD-CB 4.47Å; K585-A597 HydrophobicContact CG-CB 4.11Å
586	S	85.7	Confident	88.4	Confident	27 Å²	27	52.9 Å²	52.9	19%	0.189	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.5	174.1	69.4	0	0	0	0	113.8	L582 L583 E584 K594 T598	L582-S586 PolarHBondContact O-N 2.92Å; L583-S586 PolarHBondContact O-OG 2.78Å; E584-S586 PolarHBondContact O-N 2.84Å; S586-K594 VanDerWaalsContact O-CG 3.28Å; S586-K594 WeakPolarHBondContact O-CG 3.34Å; S586-T598 VanDerWaalsContact CB-OG1 3.27Å; S586-T598 WeakPolarHBondContact CB-OG1 3.32Å
587	K	80.5	Confident	88.3	Confident	70 Å²	70	52.7 Å²	52.7	30%	0.304	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-29	177.4	-57.6	176.1	-165.7	159.4	0	112.8	D453 E584 K585 K594	D453-K587 IonicContact OD2-NZ 3.15Å; E584-K587 VanDerWaalsContact CD-NZ 3.32Å; E584-K587 WeakPolarHBondContact O-CB 3.24Å; E584-K587 PolarHBondContact O-N 2.71Å; E584-K587 IonicContact OE1-NZ 2.74Å; E584-K587 PolarHBondContact OE1-NZ 3.3Å; E584-K587 IonicContact OE2-NZ 2.82Å; E584-K587 PolarHBondContact OE2-NZ 2.91Å; K585-K587 PolarHBondContact O-N 3.4Å; K587-K594 VanDerWaalsContact C-CE 3.48Å; K587-K594 WeakPolarHBondContact O-CE 3.5Å; K587-K594 PolarHBondContact O-NZ 3.15Å
588	T	78.1	Confident	88.2	Confident	36 Å²	36	54 Å²	54	22%	0.221	31%	0.308	C	S	.	.	S	Bend	trans	-114.2	153.3	-174.4	57.4	0	0	0	0	112.4	K457 K585 K594	K457-T588 HydrophobicContact CB-CG2 4.35Å; K585-T588 PolarHBondContact O-N 2.79Å; T588-K594 VanDerWaalsContact C-CE 3.43Å
589	G	78.4	Confident	88.1	Confident	46 Å²	46	56.7 Å²	56.7	47%	0.474	33%	0.33	S	S	.	.	S	Bend	trans	98.3	-167	176.3	0	0	0	0	0	115.3	K594	G589-K594 WeakPolarHBondContact O-CE 3.28Å
590	T	83.4	Confident	88	Confident	82 Å²	82	60.4 Å²	60.4	50%	0.503	35%	0.346	S	S	.	.			trans	-74.6	162.2	-178.2	62.8	0	0	0	0	112.3	D592 E593 K594	T590-D592 VanDerWaalsContact C-N 3.28Å; T590-D592 PolarHBondContact O-N 2.67Å; T590-E593 WeakPolarHBondContact CB-OE2 3.43Å; T590-E593 PolarHBondContact N-OE2 3.36Å; T590-E593 PolarHBondContact O-N 2.8Å; T590-E593 WeakPolarHBondContact OG1-CB 3.44Å; T590-E593 VanDerWaalsContact OG1-CD 3.24Å; T590-E593 WeakPolarHBondContact OG1-CG 3.37Å; T590-E593 PolarHBondContact OG1-N 2.87Å; T590-E593 PolarHBondContact OG1-OE2 3.3Å; T590-K594 VanDerWaalsContact O-CG 3.27Å; T590-K594 WeakPolarHBondContact O-CG 3.45Å; T590-K594 PolarHBondContact O-N 3.18Å
591	A	84.3	Confident	88.1	Confident	78 Å²	78	58.1 Å²	58.1	65%	0.645	34%	0.335	S	S	*	.	H	α-helix	trans	-58	-40.4	-179.2	0	0	0	0	0	112.8	K594 A595	A591-K594 PolarHBondContact O-N 3.03Å; A591-A595 WeakPolarHBondContact O-CB 3.35Å; A591-A595 PolarHBondContact O-N 3.01Å
592	D	87.4	Confident	88.1	Confident	123 Å²	123	57.8 Å²	57.8	66%	0.658	34%	0.335	S	S	*	.	H	α-helix	trans	-69.7	-41	179.8	-62.9	-25.4	0	0	0	111.8	T590 K594 A595 N596	T590-D592 VanDerWaalsContact C-N 3.28Å; T590-D592 PolarHBondContact O-N 2.67Å; D592-K594 VanDerWaalsContact C-N 3.33Å; D592-K594 PolarHBondContact O-N 3.01Å; D592-A595 PolarHBondContact O-N 3.49Å; D592-N596 WeakPolarHBondContact O-CB 3.47Å; D592-N596 PolarHBondContact O-N 3.31Å
593	E	88.3	Confident	88.1	Confident	86 Å²	86	63.2 Å²	63.2	40%	0.402	36%	0.36	S	S	.	.	H	α-helix	trans	-62.5	-41.4	174.8	-72.6	170.1	138.6	0	0	111.8	T590 N596 A597	T590-E593 WeakPolarHBondContact CB-OE2 3.43Å; T590-E593 PolarHBondContact N-OE2 3.36Å; T590-E593 PolarHBondContact O-N 2.8Å; T590-E593 WeakPolarHBondContact OG1-CB 3.44Å; T590-E593 VanDerWaalsContact OG1-CD 3.24Å; T590-E593 WeakPolarHBondContact OG1-CG 3.37Å; T590-E593 PolarHBondContact OG1-N 2.87Å; T590-E593 PolarHBondContact OG1-OE2 3.3Å; E593-N596 PolarHBondContact O-N 3.02Å; E593-A597 VanDerWaalsContact O-CB 3.25Å; E593-A597 WeakPolarHBondContact O-CB 3.26Å; E593-A597 PolarHBondContact O-N 2.66Å
594	K	88	Confident	88.3	Confident	73 Å²	73	63 Å²	63	32%	0.317	36%	0.359	S	S	.	.	H	α-helix	trans	-63.5	-44.4	176.6	-70.6	178.5	175.4	-172.4	0	111.7	S586 K587 T588 G589 T590 A591 D592 T598	S586-K594 VanDerWaalsContact O-CG 3.28Å; S586-K594 WeakPolarHBondContact O-CG 3.34Å; K587-K594 VanDerWaalsContact C-CE 3.48Å; K587-K594 WeakPolarHBondContact O-CE 3.5Å; K587-K594 PolarHBondContact O-NZ 3.15Å; T588-K594 VanDerWaalsContact C-CE 3.43Å; G589-K594 WeakPolarHBondContact O-CE 3.28Å; T590-K594 VanDerWaalsContact O-CG 3.27Å; T590-K594 WeakPolarHBondContact O-CG 3.45Å; T590-K594 PolarHBondContact O-N 3.18Å; A591-K594 PolarHBondContact O-N 3.03Å; D592-K594 VanDerWaalsContact C-N 3.33Å; D592-K594 PolarHBondContact O-N 3.01Å; K594-T598 WeakPolarHBondContact O-CB 3.36Å; K594-T598 PolarHBondContact O-N 3.44Å; K594-T598 PolarHBondContact O-OG1 2.92Å
595	A	89.6	Confident	88.5	Confident	56 Å²	56	60.1 Å²	60.1	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-47.2	177.7	0	0	0	0	0	111.5	A591 D592 T598 A599	A591-A595 WeakPolarHBondContact O-CB 3.35Å; A591-A595 PolarHBondContact O-N 3.01Å; D592-A595 PolarHBondContact O-N 3.49Å; A595-T598 PolarHBondContact O-N 3.04Å; A595-A599 WeakPolarHBondContact O-CB 3.27Å; A595-A599 PolarHBondContact O-N 3Å
596	N	91.9	Very high	88.7	Confident	117 Å²	117	58.2 Å²	58.2	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-43.7	177.9	-74.3	-14.2	0	0	0	112.3	D592 E593 T598 A599 K600	D592-N596 WeakPolarHBondContact O-CB 3.47Å; D592-N596 PolarHBondContact O-N 3.31Å; E593-N596 PolarHBondContact O-N 3.02Å; N596-T598 VanDerWaalsContact C-N 3.34Å; N596-T598 PolarHBondContact O-N 2.91Å; N596-A599 PolarHBondContact O-N 2.73Å; N596-K600 WeakPolarHBondContact O-CB 2.87Å; N596-K600 PolarHBondContact O-N 2.77Å
597	A	92.1	Very high	89	Confident	5 Å²	5	62.7 Å²	62.7	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-41.3	176.5	0	0	0	0	0	111.6	L582 K585 E593 A601	L582-A597 HydrophobicContact CD2-CB 4.4Å; K585-A597 HydrophobicContact CB-CB 4.09Å; K585-A597 HydrophobicContact CD-CB 4.47Å; K585-A597 HydrophobicContact CG-CB 4.11Å; E593-A597 VanDerWaalsContact O-CB 3.25Å; E593-A597 WeakPolarHBondContact O-CB 3.26Å; E593-A597 PolarHBondContact O-N 2.66Å; A597-A601 VanDerWaalsContact O-CB 3.26Å; A597-A601 WeakPolarHBondContact O-CB 3.27Å; A597-A601 PolarHBondContact O-N 3.44Å
598	T	91.7	Very high	89.4	Confident	49 Å²	49	60.1 Å²	60.1	30%	0.301	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-46.1	176.9	-55.8	0	0	0	0	111.7	S586 K594 A595 N596 A601 L602 L614	S586-T598 VanDerWaalsContact CB-OG1 3.27Å; S586-T598 WeakPolarHBondContact CB-OG1 3.32Å; K594-T598 WeakPolarHBondContact O-CB 3.36Å; K594-T598 PolarHBondContact O-N 3.44Å; K594-T598 PolarHBondContact O-OG1 2.92Å; A595-T598 PolarHBondContact O-N 3.04Å; N596-T598 VanDerWaalsContact C-N 3.34Å; N596-T598 PolarHBondContact O-N 2.91Å; T598-A601 PolarHBondContact O-N 3.08Å; T598-L602 WeakPolarHBondContact O-CB 3.27Å; T598-L602 PolarHBondContact O-N 2.82Å; T598-L614 HydrophobicContact CG2-CD1 3.96Å; T598-L614 HydrophobicContact CG2-CD2 3.91Å; T598-L614 WeakPolarHBondContact O-CD1 3.43Å
599	A	93.1	Very high	90	Very high	57 Å²	57	61 Å²	61	47%	0.471	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-46.7	179.1	0	0	0	0	0	111.6	A595 N596 L602 E603	A595-A599 WeakPolarHBondContact O-CB 3.27Å; A595-A599 PolarHBondContact O-N 3Å; N596-A599 PolarHBondContact O-N 2.73Å; A599-L602 PolarHBondContact O-N 3.4Å; A599-E603 PolarHBondContact O-N 2.78Å
600	K	93.9	Very high	90.5	Very high	77 Å²	77	58.9 Å²	58.9	34%	0.335	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177.8	-167.8	174.3	-177.7	179.6	0	112.2	Y502 L582 N596 L602 E603 M604	Y502-K600 VanDerWaalsContact CE2-NZ 3.29Å; L582-K600 HydrophobicContact CD1-CB 4.08Å; L582-K600 HydrophobicContact CD1-CD 4.06Å; L582-K600 HydrophobicContact CD1-CG 3.79Å; L582-K600 HydrophobicContact CD2-CB 4.45Å; L582-K600 HydrophobicContact CD2-CD 4.25Å; N596-K600 WeakPolarHBondContact O-CB 2.87Å; N596-K600 PolarHBondContact O-N 2.77Å; K600-L602 VanDerWaalsContact C-N 3.33Å; K600-L602 PolarHBondContact O-N 3.35Å; K600-E603 PolarHBondContact O-N 3.37Å; K600-M604 HydrophobicContact CG-SD 4.43Å; K600-M604 WeakPolarHBondContact O-CG 3.49Å; K600-M604 PolarHBondContact O-N 2.93Å
601	A	93.8	Very high	90.7	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-42	174.9	0	0	0	0	0	111.6	L582 L583 A597 T598 S605 L614	L582-A601 HydrophobicContact CB-CB 3.82Å; L582-A601 HydrophobicContact CD1-CB 4.49Å; L583-A601 HydrophobicContact CD2-CB 4.13Å; L583-A601 HydrophobicContact CG-CB 4.36Å; A597-A601 VanDerWaalsContact O-CB 3.26Å; A597-A601 WeakPolarHBondContact O-CB 3.27Å; A597-A601 PolarHBondContact O-N 3.44Å; T598-A601 PolarHBondContact O-N 3.08Å; A601-S605 VanDerWaalsContact O-CB 3.25Å; A601-S605 WeakPolarHBondContact O-CB 3.37Å; A601-S605 PolarHBondContact O-N 2.87Å; A601-S605 PolarHBondContact O-OG 2.97Å; A601-L614 HydrophobicContact CB-CD1 3.67Å
602	L	92	Very high	90.7	Very high	37 Å²	37	51.3 Å²	51.3	19%	0.194	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-48.2	176.6	174.4	61.1	0	0	0	111.5	E123 T598 A599 K600 M604 S605 L606 L614 T615	E123-L602 HydrophobicContact CB-CD1 4.37Å; E123-L602 HydrophobicContact CG-CD1 4.17Å; E123-L602 HydrophobicContact CG-CD2 4.17Å; T598-L602 WeakPolarHBondContact O-CB 3.27Å; T598-L602 PolarHBondContact O-N 2.82Å; A599-L602 PolarHBondContact O-N 3.4Å; K600-L602 VanDerWaalsContact C-N 3.33Å; K600-L602 PolarHBondContact O-N 3.35Å; L602-M604 PolarHBondContact O-N 3.33Å; L602-S605 PolarHBondContact O-N 3.19Å; L602-L606 HydrophobicContact CD1-CD1 4Å; L602-L606 HydrophobicContact CD1-CG 4.18Å; L602-L606 HydrophobicContact CG-CD1 4.19Å; L602-L606 WeakPolarHBondContact O-CG 3.48Å; L602-L606 PolarHBondContact O-N 2.88Å; L602-L614 HydrophobicContact CB-CB 4.44Å; L602-L614 HydrophobicContact CB-CD1 4.13Å; L602-L614 HydrophobicContact CD1-CB 4.14Å; L602-T615 HydrophobicContact CD1-CG2 3.67Å
603	E	95.1	Very high	90.5	Very high	128 Å²	128	47 Å²	47	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-55.6	-52.8	177.9	-178	-177.2	-173.4	0	0	111.5	A599 K600 S605 L606 Q607	A599-E603 PolarHBondContact O-N 2.78Å; K600-E603 PolarHBondContact O-N 3.37Å; E603-S605 PolarHBondContact O-N 3.38Å; E603-L606 PolarHBondContact O-N 3.21Å; E603-Q607 WeakPolarHBondContact O-CB 3.4Å; E603-Q607 PolarHBondContact O-N 3.08Å
604	M	94	Very high	90.1	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.044	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-38	178.5	-67.7	-173.2	72	0	0	112.2	W574 A575 T578 I579 L582 K600 L602 L606 Q607 Y608	W574-M604 HydrophobicContact CE3-CE 4.37Å; W574-M604 HydrophobicContact CH2-CE 3.57Å; W574-M604 HydrophobicContact CZ2-CE 4.18Å; W574-M604 HydrophobicContact CZ3-CE 3.67Å; A575-M604 HydrophobicContact CB-CE 4.3Å; T578-M604 HydrophobicContact CG2-CE 3.78Å; T578-M604 HydrophobicContact CG2-SD 3.62Å; I579-M604 HydrophobicContact CD1-CB 3.89Å; I579-M604 HydrophobicContact CG1-CB 3.68Å; L582-M604 HydrophobicContact CD1-SD 3.95Å; K600-M604 HydrophobicContact CG-SD 4.43Å; K600-M604 WeakPolarHBondContact O-CG 3.49Å; K600-M604 PolarHBondContact O-N 2.93Å; L602-M604 PolarHBondContact O-N 3.33Å; M604-L606 VanDerWaalsContact C-N 3.28Å; M604-L606 PolarHBondContact O-N 2.98Å; M604-Q607 PolarHBondContact O-N 2.71Å; M604-Y608 HydrophobicContact CE-CE2 4.25Å; M604-Y608 WeakPolarHBondContact O-CD2 3.24Å; M604-Y608 PolarHBondContact O-N 3.22Å
605	S	91.1	Very high	89.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-40.4	176.4	-61.1	0	0	0	0	111.5	A601 L602 E603 S609 F610 T612	A601-S605 VanDerWaalsContact O-CB 3.25Å; A601-S605 WeakPolarHBondContact O-CB 3.37Å; A601-S605 PolarHBondContact O-N 2.87Å; A601-S605 PolarHBondContact O-OG 2.97Å; L602-S605 PolarHBondContact O-N 3.19Å; E603-S605 PolarHBondContact O-N 3.38Å; S605-S609 CarbonylContact O-C 3.55Å; S605-S609 WeakPolarHBondContact O-CA 3.41Å; S605-S609 PolarHBondContact O-N 2.95Å; S605-S609 VanDerWaalsContact O-N 3.12Å; S605-F610 PolarHBondContact O-N 3.38Å; S605-T612 WeakPolarHBondContact OG-CG2 3.27Å; S605-T612 PolarHBondContact OG-OG1 2.91Å
606	L	89.6	Confident	89.2	Confident	66 Å²	66	38.7 Å²	38.7	35%	0.346	21%	0.21	S	C	.	.	H	α-helix	trans	-71.4	-44.2	176.4	-67.2	171.1	0	0	0	111.7	V121 L602 E603 M604 Y608 S609 T615	V121-L606 HydrophobicContact CG1-CD2 4.45Å; L602-L606 HydrophobicContact CD1-CD1 4Å; L602-L606 HydrophobicContact CD1-CG 4.18Å; L602-L606 HydrophobicContact CG-CD1 4.19Å; L602-L606 WeakPolarHBondContact O-CG 3.48Å; L602-L606 PolarHBondContact O-N 2.88Å; E603-L606 PolarHBondContact O-N 3.21Å; M604-L606 VanDerWaalsContact C-N 3.28Å; M604-L606 PolarHBondContact O-N 2.98Å; L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 PolarHBondContact O-N 3Å; L606-S609 PolarHBondContact O-N 2.71Å; L606-T615 HydrophobicContact CD2-CG2 3.83Å; L606-T615 HydrophobicContact CG-CG2 4.07Å
607	Q	92.2	Very high	88.4	Confident	121 Å²	121	33.2 Å²	33.2	57%	0.565	18%	0.181	S	C	*	.	H	α-helix	trans	-56.9	-45.9	179	-176.9	-176.4	-5.6	0	0	112.1	E603 M604	E603-Q607 WeakPolarHBondContact O-CB 3.4Å; E603-Q607 PolarHBondContact O-N 3.08Å; M604-Q607 PolarHBondContact O-N 2.71Å
608	Y	89.8	Confident	87.2	Confident	16 Å²	16	33.1 Å²	33.1	6%	0.063	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.5	-178.1	-69.2	-79.7	0	0	0	114	E571 R572 W574 A575 M604 L606 F610	E571-Y608 HydrophobicContact CG-CE1 3.8Å; E571-Y608 WeakPolarHBondContact CG-OH 3.31Å; E571-Y608 VanDerWaalsContact OE1-CE1 3.29Å; E571-Y608 WeakPolarHBondContact OE1-CE1 3.45Å; E571-Y608 PolarHBondContact OE1-OH 3.47Å; R572-Y608 PolarHBondContact NH1-O 2.97Å; R572-Y608 PolarHBondContact NH2-O 3.11Å; W574-Y608 HydrophobicContact CZ3-CE2 4.26Å; A575-Y608 HydrophobicContact CB-CD1 3.91Å; A575-Y608 HydrophobicContact CB-CD2 3.48Å; A575-Y608 VanDerWaalsContact CB-CD2 3.48Å; A575-Y608 HydrophobicContact CB-CE1 3.96Å; A575-Y608 HydrophobicContact CB-CE2 3.52Å; A575-Y608 HydrophobicContact CB-CG 3.69Å; M604-Y608 HydrophobicContact CE-CE2 4.25Å; M604-Y608 WeakPolarHBondContact O-CD2 3.24Å; M604-Y608 PolarHBondContact O-N 3.22Å; L606-Y608 VanDerWaalsContact C-N 3.34Å; L606-Y608 PolarHBondContact O-N 3Å; Y608-F610 VanDerWaalsContact C-N 3.26Å; Y608-F610 HydrophobicContact CG-CE2 4.35Å; Y608-F610 PolarHBondContact O-N 3.03Å
609	S	89.6	Confident	86	Confident	56 Å²	56	31 Å²	31	39%	0.392	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	39.8	-177.4	-61.3	0	0	0	0	113.3	T106 V121 S605 L606	T106-S609 WeakPolarHBondContact CA-O 3.4Å; V121-S609 WeakPolarHBondContact CG2-O 3.37Å; S605-S609 CarbonylContact O-C 3.55Å; S605-S609 WeakPolarHBondContact O-CA 3.41Å; S605-S609 PolarHBondContact O-N 2.95Å; S605-S609 VanDerWaalsContact O-N 3.12Å; L606-S609 PolarHBondContact O-N 2.71Å
610	F	90.1	Very high	84.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.			trans	-86.6	131	173	-73.9	-54.4	0	0	0	110.8	F104 T106 E173 R572 A575 I579 S605 Y608 T612 T615	F104-F610 HydrophobicContact CB-CB 4.07Å; F104-F610 HydrophobicContact CB-CD1 3.4Å; F104-F610 HydrophobicContact CB-CE1 4.09Å; F104-F610 HydrophobicContact CB-CG 4Å; F104-F610 HydrophobicContact CD2-CB 4.13Å; F104-F610 AromaticContact CD2-CD1 3.92Å; F104-F610 HydrophobicContact CD2-CD1 3.92Å; F104-F610 HydrophobicContact CD2-CD2 4.36Å; F104-F610 HydrophobicContact CD2-CE1 4.37Å; F104-F610 AromaticContact CD2-CG 3.9Å; F104-F610 HydrophobicContact CD2-CG 3.9Å; F104-F610 HydrophobicContact CG-CB 4.22Å; F104-F610 HydrophobicContact CG-CD1 4.09Å; F104-F610 HydrophobicContact CG-CG 4.28Å; T106-F610 HydrophobicContact CG2-CD1 3.52Å; T106-F610 HydrophobicContact CG2-CE1 3.41Å; T106-F610 VanDerWaalsContact CG2-CE1 3.41Å; E173-F610 HydrophobicContact CB-CE1 4.43Å; E173-F610 WeakPolarHBondContact OE2-CE1 3.37Å; R572-F610 VanDerWaalsContact NH2-CZ 3.32Å; A575-F610 HydrophobicContact CB-CE2 4.24Å; I579-F610 HydrophobicContact CD1-CD2 3.59Å; I579-F610 HydrophobicContact CD1-CE2 4.24Å; S605-F610 PolarHBondContact O-N 3.38Å; Y608-F610 VanDerWaalsContact C-N 3.26Å; Y608-F610 HydrophobicContact CG-CE2 4.35Å; Y608-F610 PolarHBondContact O-N 3.03Å; F610-T612 HydrophobicContact CB-CG2 3.77Å; F610-T612 PolarHBondContact O-N 3.09Å; F610-T615 PolarHBondContact O-OG1 2.96Å
611	V	86.5	Confident	82.2	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.012	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-79.6	107.9	166.7	-177.1	0	0	0	0	108.8	F104 I105 V121 T615 M617 K636	F104-V611 VanDerWaalsContact CD1-O 3.29Å; F104-V611 WeakPolarHBondContact CD1-O 3.25Å; I105-V611 HydrophobicContact CB-CB 4Å; I105-V611 HydrophobicContact CB-CG2 3.91Å; I105-V611 HydrophobicContact CG2-CG2 4.23Å; I105-V611 WeakPolarHBondContact O-CG2 2.84Å; I105-V611 PolarHBondContact O-N 3.07Å; V121-V611 HydrophobicContact CG2-CG2 3.96Å; V611-T615 WeakPolarHBondContact CA-OG1 2.86Å; V611-M617 HydrophobicContact CG2-CB 3.8Å; V611-M617 HydrophobicContact CG2-CE 3.94Å; V611-K636 HydrophobicContact CG1-CB 4.32Å
612	T	86.3	Confident	79.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.			trans	-124	175.1	-176.1	76.7	0	0	0	0	109.8	F104 I579 S605 F610 L614 T615 K636	F104-T612 HydrophobicContact CD1-CG2 4.02Å; F104-T612 HydrophobicContact CD2-CG2 4.42Å; F104-T612 HydrophobicContact CE1-CG2 3.83Å; F104-T612 HydrophobicContact CE2-CG2 4.28Å; F104-T612 HydrophobicContact CG-CG2 4.33Å; F104-T612 HydrophobicContact CZ-CG2 3.98Å; I579-T612 HydrophobicContact CG2-CG2 3.97Å; S605-T612 WeakPolarHBondContact OG-CG2 3.27Å; S605-T612 PolarHBondContact OG-OG1 2.91Å; F610-T612 HydrophobicContact CB-CG2 3.77Å; F610-T612 PolarHBondContact O-N 3.09Å; T612-L614 PolarHBondContact O-N 3.15Å; T612-L614 PolarHBondContact OG1-N 3.13Å; T612-T615 PolarHBondContact N-OG1 3.18Å; T612-T615 PolarHBondContact O-N 3.29Å; T612-T615 PolarHBondContact OG1-OG1 2.88Å; T612-K636 VanDerWaalsContact C-CB 3.48Å
613	P	81.6	Confident	76.9	Confident	31 Å²	31	39.5 Å²	39.5	20%	0.201	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.1	179.1	-26.7	37.3	0	0	0	114.9	K124 L583 K636 T638	K124-P613 WeakPolarHBondContact CD-O 3.47Å; K124-P613 PolarHBondContact NZ-O 3.23Å; L583-P613 HydrophobicContact CD1-CG 4.34Å; P613-K636 HydrophobicContact CG-CG 4.34Å; P613-T638 HydrophobicContact CB-CG2 3.96Å
614	L	81.3	Confident	73.9	Confident	42 Å²	42	37.6 Å²	37.6	22%	0.22	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-12.2	180	-54.9	177.3	0	0	0	113.5	K124 L583 T598 A601 L602 T612	K124-L614 WeakPolarHBondContact CB-O 3.33Å; K124-L614 PolarHBondContact N-O 3.17Å; L583-L614 HydrophobicContact CD2-CD1 3.79Å; L583-L614 HydrophobicContact CD2-CG 3.93Å; T598-L614 HydrophobicContact CG2-CD1 3.96Å; T598-L614 HydrophobicContact CG2-CD2 3.91Å; T598-L614 WeakPolarHBondContact O-CD1 3.43Å; A601-L614 HydrophobicContact CB-CD1 3.67Å; L602-L614 HydrophobicContact CB-CB 4.44Å; L602-L614 HydrophobicContact CB-CD1 4.13Å; L602-L614 HydrophobicContact CD1-CB 4.14Å; T612-L614 PolarHBondContact O-N 3.15Å; T612-L614 PolarHBondContact OG1-N 3.13Å
615	T	81.1	Confident	71	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.3	-176.7	55.6	0	0	0	0	111.9	V121 K122 L602 L606 F610 V611 T612	V121-T615 HydrophobicContact CG1-CG2 4.22Å; K122-T615 CarbonylContact O-C 3.6Å; K122-T615 WeakPolarHBondContact O-CA 3.38Å; K122-T615 VanDerWaalsContact O-CB 3.29Å; K122-T615 WeakPolarHBondContact O-CB 3.47Å; L602-T615 HydrophobicContact CD1-CG2 3.67Å; L606-T615 HydrophobicContact CD2-CG2 3.83Å; L606-T615 HydrophobicContact CG-CG2 4.07Å; F610-T615 PolarHBondContact O-OG1 2.96Å; V611-T615 WeakPolarHBondContact CA-OG1 2.86Å; T612-T615 PolarHBondContact N-OG1 3.18Å; T612-T615 PolarHBondContact O-N 3.29Å; T612-T615 PolarHBondContact OG1-OG1 2.88Å
616	S	75.9	Confident	68.2	Low	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	140	-178.9	-59.4	0	0	0	0	109.6	V121 K122 K124 A634 D635	V121-S616 CarbonylContact C-O 3.51Å; V121-S616 WeakPolarHBondContact CA-O 3.44Å; K122-S616 PolarHBondContact N-O 2.84Å; K122-S616 PolarHBondContact O-N 3.26Å; K124-S616 WeakPolarHBondContact CA-OG 3.42Å; K124-S616 WeakPolarHBondContact CG-OG 3.49Å; S616-A634 CarbonylContact C-O 3.52Å; S616-A634 WeakPolarHBondContact CA-O 3.44Å; S616-D635 WeakPolarHBondContact CB-OD1 3.42Å; S616-D635 VanDerWaalsContact OG-CG 3.29Å; S616-D635 PolarHBondContact OG-OD1 3.28Å
617	M	75.2	Confident	65.5	Low	2 Å²	2	54 Å²	54	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	141.2	173.6	-168.6	173.2	-75.8	0	0	110.7	I105 F108 N120 V121 V611 I633 A634	I105-M617 HydrophobicContact CG2-CE 3.92Å; I105-M617 HydrophobicContact CG2-SD 4.39Å; F108-M617 HydrophobicContact CB-SD 3.51Å; F108-M617 VanDerWaalsContact CB-SD 3.51Å; F108-M617 PolarHBondContact N-SD 3.23Å; F108-M617 VanDerWaalsContact N-SD 3.4Å; N120-M617 CarbonylContact O-C 3.55Å; N120-M617 WeakPolarHBondContact O-CA 3.21Å; V121-M617 HydrophobicContact CG2-CB 4.35Å; V121-M617 HydrophobicContact CG2-CE 3.58Å; V121-M617 HydrophobicContact CG2-CG 4.38Å; V611-M617 HydrophobicContact CG2-CB 3.8Å; V611-M617 HydrophobicContact CG2-CE 3.94Å; M617-I633 CarbonylContact O-C 3.53Å; M617-I633 WeakPolarHBondContact O-CA 3.4Å; M617-I633 WeakPolarHBondContact O-CG2 3.24Å; M617-A634 HydrophobicContact CB-CB 4.09Å; M617-A634 PolarHBondContact N-O 2.74Å; M617-A634 PolarHBondContact O-N 2.99Å
618	V	66.9	Low	62.9	Low	2 Å²	2	53.9 Å²	53.9	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	123.2	177.7	-174.1	0	0	0	0	110.5	G119 N120 K122 A127 Q130 T620 P631 L632 I633	G119-V618 WeakPolarHBondContact CA-O 3.43Å; N120-V618 PolarHBondContact N-O 3.39Å; N120-V618 PolarHBondContact O-N 2.86Å; K122-V618 HydrophobicContact CD-CG2 4.41Å; A127-V618 HydrophobicContact CB-CG2 3.67Å; Q130-V618 HydrophobicContact CG-CG1 4.5Å; V618-T620 HydrophobicContact CG1-CG2 4.12Å; V618-P631 HydrophobicContact CG1-CB 4.48Å; V618-L632 CarbonylContact C-O 3.59Å; V618-L632 WeakPolarHBondContact CA-O 3.41Å; V618-L632 WeakPolarHBondContact CG1-O 3.39Å; V618-I633 HydrophobicContact CB-CG1 4.46Å; V618-I633 HydrophobicContact CG1-CD1 4.26Å; V618-I633 HydrophobicContact CG1-CG1 4.1Å; V618-I633 HydrophobicContact CG2-CD1 3.69Å; V618-I633 HydrophobicContact CG2-CG1 3.94Å; V618-I633 HydrophobicContact CG2-CG2 4.31Å
619	V	68.1	Low	60.6	Low	4 Å²	4	54.5 Å²	54.5	2%	0.024	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	174.6	-166.6	0	0	0	0	108.9	F108 M110 P631 L632	F108-V619 HydrophobicContact CD1-CG2 3.42Å; F108-V619 VanDerWaalsContact CD1-CG2 3.42Å; F108-V619 HydrophobicContact CE1-CG2 3.75Å; M110-V619 HydrophobicContact CE-CG1 3.83Å; M110-V619 HydrophobicContact CG-CG1 4.34Å; M110-V619 HydrophobicContact SD-CG1 4.42Å; V619-P631 CarbonylContact O-C 3.59Å; V619-P631 VanDerWaalsContact O-CA 3.24Å; V619-P631 WeakPolarHBondContact O-CA 3.28Å; V619-L632 HydrophobicContact CB-CB 4.03Å; V619-L632 HydrophobicContact CB-CD1 4.02Å; V619-L632 HydrophobicContact CB-CG 4.42Å; V619-L632 HydrophobicContact CG1-CD1 4.33Å; V619-L632 HydrophobicContact CG2-CB 4.4Å; V619-L632 PolarHBondContact N-O 2.75Å; V619-L632 PolarHBondContact O-N 3.28Å
620	T	56.5	Low	58.7	Low	65 Å²	65	52.2 Å²	52.2	40%	0.399	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.5	179.9	51.6	0	0	0	0	110.4	V618 P631	V618-T620 HydrophobicContact CG1-CG2 4.12Å; T620-P631 HydrophobicContact CG2-CB 3.39Å
621	K	49	Very low	56.1	Low	46 Å²	46	53 Å²	53	20%	0.2	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-81.2	125.6	164	-170.1	178	179.2	-176.9	0	107.8	M110 I112 Y117	M110-K621 HydrophobicContact CE-CB 4.14Å; I112-K621 HydrophobicContact CD1-CD 4.41Å; Y117-K621 HydrophobicContact CE1-CB 4.45Å; Y117-K621 HydrophobicContact CE1-CG 4.04Å; Y117-K621 HydrophobicContact CE2-CG 4.34Å
622	P	39.9	Very low	53.9	Low	76 Å²	76	53.2 Å²	53.2	49%	0.494	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-74	144.9	178.8	27.5	-26.9	0	0	0	111	Y117 T624	Y117-P622 HydrophobicContact CE1-CG 4.08Å; P622-T624 PolarHBondContact O-N 3.25Å
623	E	35.9	Very low	51.5	Low	163 Å²	163	53.6 Å²	53.6	76%	0.762	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-58.6	130	-177	-64.3	178.8	170.7	0	0	111.7
624	T	31.4	Very low	49.4	Very low	89 Å²	89	52.2 Å²	52.2	55%	0.546	29%	0.294	S	S	.	.			trans	-115.9	140.6	167.1	43	0	0	0	0	109.8	P622 D626	P622-T624 PolarHBondContact O-N 3.25Å; T624-D626 PolarHBondContact O-N 3.13Å
625	E	32.8	Very low	47.7	Very low	201 Å²	201	51.5 Å²	51.5	94%	0.939	29%	0.291	S	S	*	.	S	Bend	trans	-61	7.6	-168.5	-103.8	179.4	164.5	0	0	117.8
626	D	32.3	Very low	45.8	Very low	164 Å²	164	52.2 Å²	52.2	88%	0.877	29%	0.294	S	S	*	.	S	Bend	trans	-146	94.6	167.4	-87.1	-41.7	0	0	0	108.3	T624	T624-D626 PolarHBondContact O-N 3.13Å
627	G	32.2	Very low	44.6	Very low	55 Å²	55	54.1 Å²	54.1	57%	0.567	30%	0.304	S	S	*	.	S	Bend	trans	131.3	113.1	174.9	0	0	0	0	0	113.7	D629	G627-D629 PolarHBondContact O-N 3.26Å
628	T	38.3	Very low	43.7	Very low	118 Å²	118	56.4 Å²	56.4	72%	0.724	32%	0.318	S	S	*	.			trans	-58	106.5	168.7	43.5	0	0	0	0	110.3
629	D	42.2	Very low	43.3	Very low	29 Å²	29	58.9 Å²	58.9	16%	0.155	33%	0.329	C	S	.	.			trans	-164.7	173.1	164.8	-92.1	-45.3	0	0	0	114.1	T140 N159 G627	T140-D629 VanDerWaalsContact CB-OD1 3.31Å; T140-D629 WeakPolarHBondContact CB-OD1 3.26Å; T140-D629 PolarHBondContact OG1-OD1 2.04Å; N159-D629 WeakPolarHBondContact CB-OD2 3.49Å; N159-D629 PolarHBondContact ND2-OD2 3.42Å; G627-D629 PolarHBondContact O-N 3.26Å
630	S	49.4	Very low	42.8	Very low	7 Å²	7	63 Å²	63	5%	0.049	35%	0.348	C	S	.	.				-148.2	171.6	-115.4	-53.3	0	0	0	0	116.2	Q139 T140	Q139-S630 WeakPolarHBondContact CA-OG 3.21Å; Q139-S630 WeakPolarHBondContact CB-OG 3.33Å; Q139-S630 VanDerWaalsContact CG-OG 3.25Å; Q139-S630 WeakPolarHBondContact CG-OG 3.44Å; T140-S630 PolarHBondContact N-OG 3.19Å; T140-S630 WeakPolarHBondContact O-CB 3.5Å
631	P	35.1	Very low	42.7	Very low	17 Å²	17	63.3 Å²	63.3	11%	0.11	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.1	168.9	36.8	-34.3	0	0	0	115.3	A134 V618 V619 T620	A134-P631 HydrophobicContact CB-CG 3.63Å; V618-P631 HydrophobicContact CG1-CB 4.48Å; V619-P631 CarbonylContact O-C 3.59Å; V619-P631 VanDerWaalsContact O-CA 3.24Å; V619-P631 WeakPolarHBondContact O-CA 3.28Å; T620-P631 HydrophobicContact CG2-CB 3.39Å
632	L	39.6	Very low	43.1	Very low	6 Å²	6	61.5 Å²	61.5	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	144.2	-176.6	-49.1	163.5	0	0	0	111.4	M110 V156 S157 V618 V619	M110-L632 HydrophobicContact CE-CD1 3.73Å; M110-L632 HydrophobicContact SD-CD1 3.57Å; M110-L632 VanDerWaalsContact SD-CD1 3.57Å; V156-L632 HydrophobicContact CG1-CD1 3.42Å; V156-L632 VanDerWaalsContact CG1-CD1 3.42Å; V156-L632 HydrophobicContact CG1-CD2 4.04Å; V156-L632 HydrophobicContact CG1-CG 4.16Å; S157-L632 WeakPolarHBondContact O-CD2 3.46Å; V618-L632 CarbonylContact C-O 3.59Å; V618-L632 WeakPolarHBondContact CA-O 3.41Å; V618-L632 WeakPolarHBondContact CG1-O 3.39Å; V619-L632 HydrophobicContact CB-CB 4.03Å; V619-L632 HydrophobicContact CB-CD1 4.02Å; V619-L632 HydrophobicContact CB-CG 4.42Å; V619-L632 HydrophobicContact CG1-CD1 4.33Å; V619-L632 HydrophobicContact CG2-CB 4.4Å; V619-L632 PolarHBondContact N-O 2.75Å; V619-L632 PolarHBondContact O-N 3.28Å
633	I	37.5	Very low	43.9	Very low	8 Å²	8	58.5 Å²	58.5	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.1	178.1	-54	-149.4	0	0	0	111.8	A127 Q130 Y131 G142 L143 M617 V618 D635	A127-I633 VanDerWaalsContact C-CD1 3.41Å; A127-I633 HydrophobicContact CB-CD1 3.98Å; A127-I633 HydrophobicContact CB-CG2 4.21Å; A127-I633 WeakPolarHBondContact O-CD1 3.35Å; Q130-I633 HydrophobicContact CB-CD1 4.48Å; Y131-I633 HydrophobicContact CD2-CB 4.42Å; Y131-I633 HydrophobicContact CD2-CG1 4.24Å; Y131-I633 HydrophobicContact CG-CD1 4.48Å; G142-I633 CarbonylContact C-O 3.57Å; G142-I633 PolarHBondContact O-N 3.49Å; L143-I633 PolarHBondContact N-O 3.46Å; M617-I633 CarbonylContact O-C 3.53Å; M617-I633 WeakPolarHBondContact O-CA 3.4Å; M617-I633 WeakPolarHBondContact O-CG2 3.24Å; V618-I633 HydrophobicContact CB-CG1 4.46Å; V618-I633 HydrophobicContact CG1-CD1 4.26Å; V618-I633 HydrophobicContact CG1-CG1 4.1Å; V618-I633 HydrophobicContact CG2-CD1 3.69Å; V618-I633 HydrophobicContact CG2-CG1 3.94Å; V618-I633 HydrophobicContact CG2-CG2 4.31Å; I633-D635 VanDerWaalsContact CG2-OD1 3.3Å; I633-D635 WeakPolarHBondContact CG2-OD1 3.07Å
634	A	37.8	Very low	44.7	Very low	2 Å²	2	56.8 Å²	56.8	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.9	169.5	0	0	0	0	0	111.6	V144 F154 S616 M617	V144-A634 HydrophobicContact CG2-CB 3.55Å; F154-A634 HydrophobicContact CD2-CB 3.79Å; F154-A634 HydrophobicContact CE2-CB 3.2Å; F154-A634 HydrophobicContact CZ-CB 4.13Å; S616-A634 CarbonylContact C-O 3.52Å; S616-A634 WeakPolarHBondContact CA-O 3.44Å; M617-A634 HydrophobicContact CB-CB 4.09Å; M617-A634 PolarHBondContact N-O 2.74Å; M617-A634 PolarHBondContact O-N 2.99Å
635	D	44.2	Very low	45.5	Very low	27 Å²	27	55.4 Å²	55.4	14%	0.144	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.4	-177.7	-74.1	4.1	0	0	0	111.4	V144 S616 I633	V144-D635 WeakPolarHBondContact CB-O 3.5Å; V144-D635 WeakPolarHBondContact CG1-O 3.4Å; V144-D635 WeakPolarHBondContact CG2-O 3.44Å; S616-D635 WeakPolarHBondContact CB-OD1 3.42Å; S616-D635 VanDerWaalsContact OG-CG 3.29Å; S616-D635 PolarHBondContact OG-OD1 3.28Å; I633-D635 VanDerWaalsContact CG2-OD1 3.3Å; I633-D635 WeakPolarHBondContact CG2-OD1 3.07Å
636	K	42.1	Very low	46.2	Very low	15 Å²	15	49 Å²	49	7%	0.065	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-89.7	130.7	159.7	-168.7	159.4	-175.3	162.8	0	110	K101 A103 F104 K124 V611 T612 P613	K101-K636 WeakPolarHBondContact O-CE 3.28Å; K101-K636 PolarHBondContact O-NZ 2.79Å; A103-K636 PolarHBondContact O-NZ 2.81Å; F104-K636 HydrophobicContact CD1-CD 3.9Å; F104-K636 HydrophobicContact CE1-CD 3.91Å; K124-K636 PolarHBondContact NZ-O 2.95Å; V611-K636 HydrophobicContact CG1-CB 4.32Å; T612-K636 VanDerWaalsContact C-CB 3.48Å; P613-K636 HydrophobicContact CG-CG 4.34Å
637	L	50.6	Low	47	Very low	41 Å²	41	48 Å²	48	22%	0.215	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-85.6	146.1	-179.4	-69.2	176.3	0	0	0	111.5	A146 Q641	A146-L637 HydrophobicContact CB-CD1 4.07Å; A146-L637 VanDerWaalsContact N-CD1 3.32Å; L637-Q641 HydrophobicContact CD2-CB 4.18Å
638	T	57	Low	47.1	Very low	50 Å²	50	52.3 Å²	52.3	31%	0.307	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-83.3	159.5	164.6	59.3	0	0	0	0	110.5	P613 E640 Q641 R642	P613-T638 HydrophobicContact CB-CG2 3.96Å; T638-E640 VanDerWaalsContact C-N 3.28Å; T638-E640 PolarHBondContact O-N 2.94Å; T638-Q641 PolarHBondContact O-N 2.83Å; T638-Q641 WeakPolarHBondContact OG1-CB 3.38Å; T638-Q641 VanDerWaalsContact OG1-CD 3.29Å; T638-Q641 WeakPolarHBondContact OG1-CG 3.46Å; T638-Q641 PolarHBondContact OG1-N 3.3Å; T638-Q641 PolarHBondContact OG1-OE1 2.86Å; T638-Q641 VanDerWaalsContact OG1-OE1 3.07Å; T638-R642 PolarHBondContact O-N 3.29Å
639	E	56.9	Low	46.7	Very low	53 Å²	53	57.1 Å²	57.1	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-33.1	177.4	-172.8	65.9	-174.9	0	0	112.4	Y449 R465 R642 Q643	Y449-E639 HydrophobicContact CD1-CB 4.48Å; Y449-E639 HydrophobicContact CD1-CG 3.67Å; Y449-E639 HydrophobicContact CE1-CG 4.41Å; Y449-E639 HydrophobicContact CG-CG 4.1Å; R465-E639 IonicContact NE-OE1 2.73Å; R465-E639 IonicContact NH1-OE1 3.33Å; E639-R642 VanDerWaalsContact O-CB 3.26Å; E639-R642 WeakPolarHBondContact O-CB 3.42Å; E639-R642 PolarHBondContact O-N 3.43Å; E639-R642 IonicContact OE1-CZ 3.71Å; E639-R642 IonicContact OE1-NE 3.03Å; E639-R642 IonicContact OE1-NH1 2.63Å; E639-R642 PolarHBondContact OE1-NH1 3.14Å; E639-R642 IonicContact OE1-NH2 3.85Å; E639-R642 PolarHBondContact OE1-NH2 3.46Å; E639-R642 IonicContact OE2-CZ 3.39Å; E639-R642 IonicContact OE2-NE 2.77Å; E639-R642 IonicContact OE2-NH1 2.99Å; E639-R642 PolarHBondContact OE2-NH1 3.16Å; E639-Q643 WeakPolarHBondContact O-CG 3.44Å; E639-Q643 PolarHBondContact O-N 2.8Å
640	E	57.9	Low	46.2	Very low	90 Å²	90	62 Å²	62	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-63.6	-45.8	173.8	-66.7	-177.4	172.1	0	0	111.9	N450 T638 R642 Q643 Q644	N450-E640 HydrophobicContact CB-CG 4.08Å; N450-E640 WeakPolarHBondContact CB-OE1 3.08Å; N450-E640 VanDerWaalsContact CG-OE1 3.3Å; N450-E640 PolarHBondContact ND2-OE1 3.3Å; T638-E640 VanDerWaalsContact C-N 3.28Å; T638-E640 PolarHBondContact O-N 2.94Å; E640-R642 PolarHBondContact O-N 3.39Å; E640-Q643 PolarHBondContact O-N 3.42Å; E640-Q644 PolarHBondContact O-N 3.08Å; E640-Q644 VanDerWaalsContact O-N 3.11Å
641	Q	55	Low	45.1	Very low	73 Å²	73	69.5 Å²	69.5	34%	0.341	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-34.4	174.6	-73	170.2	-32.5	0	0	111.1	L637 T638 A645	L637-Q641 HydrophobicContact CD2-CB 4.18Å; T638-Q641 PolarHBondContact O-N 2.83Å; T638-Q641 WeakPolarHBondContact OG1-CB 3.38Å; T638-Q641 VanDerWaalsContact OG1-CD 3.29Å; T638-Q641 WeakPolarHBondContact OG1-CG 3.46Å; T638-Q641 PolarHBondContact OG1-N 3.3Å; T638-Q641 PolarHBondContact OG1-OE1 2.86Å; T638-Q641 VanDerWaalsContact OG1-OE1 3.07Å; Q641-A645 WeakPolarHBondContact O-CB 3.42Å; Q641-A645 PolarHBondContact O-N 2.93Å
642	R	57.6	Low	44.5	Very low	8 Å²	8	73.7 Å²	73.7	3%	0.03	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-47.7	174.6	-161	-172.1	108.1	-151.6	-5.2	112.2	K101 A146 T638 E639 E640 Q644 A645 E646	K101-R642 VanDerWaalsContact NZ-NH1 3.1Å; A146-R642 HydrophobicContact CB-CG 3.69Å; T638-R642 PolarHBondContact O-N 3.29Å; E639-R642 VanDerWaalsContact O-CB 3.26Å; E639-R642 WeakPolarHBondContact O-CB 3.42Å; E639-R642 PolarHBondContact O-N 3.43Å; E639-R642 IonicContact OE1-CZ 3.71Å; E639-R642 IonicContact OE1-NE 3.03Å; E639-R642 IonicContact OE1-NH1 2.63Å; E639-R642 PolarHBondContact OE1-NH1 3.14Å; E639-R642 IonicContact OE1-NH2 3.85Å; E639-R642 PolarHBondContact OE1-NH2 3.46Å; E639-R642 IonicContact OE2-CZ 3.39Å; E639-R642 IonicContact OE2-NE 2.77Å; E639-R642 IonicContact OE2-NH1 2.99Å; E639-R642 PolarHBondContact OE2-NH1 3.16Å; E640-R642 PolarHBondContact O-N 3.39Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.47Å; R642-A645 PolarHBondContact O-N 2.83Å; R642-E646 IonicContact CZ-OE1 2.63Å; R642-E646 IonicContact NE-OE1 3.75Å; R642-E646 PolarHBondContact NE-OE1 3.36Å; R642-E646 IonicContact NE-OE2 3.57Å; R642-E646 IonicContact NH2-OE1 2.69Å; R642-E646 IonicContact NH2-OE2 3.75Å; R642-E646 WeakPolarHBondContact O-CG 3.31Å; R642-E646 PolarHBondContact O-N 2.64Å
643	Q	55.6	Low	44	Very low	13 Å²	13	83.6 Å²	83.6	6%	0.061	42%	0.418	C	S	.	.	H	α-helix	trans	-58.6	-42.4	177.7	-70.8	-170	-13.3	0	0	111.8	V447 E639 E640 E646 R647	V447-Q643 PolarHBondContact O-NE2 2.93Å; E639-Q643 WeakPolarHBondContact O-CG 3.44Å; E639-Q643 PolarHBondContact O-N 2.8Å; E640-Q643 PolarHBondContact O-N 3.42Å; Q643-E646 PolarHBondContact O-N 2.99Å; Q643-R647 WeakPolarHBondContact O-CB 3.4Å; Q643-R647 VanDerWaalsContact O-CG 3.24Å; Q643-R647 WeakPolarHBondContact O-CG 3.35Å; Q643-R647 PolarHBondContact O-N 3.26Å
644	Q	53.5	Low	43.3	Very low	127 Å²	127	88.8 Å²	88.8	59%	0.593	46%	0.455	S	S	*	.	H	α-helix	trans	-64.3	-43.8	176.3	-69.5	178.2	2.7	0	0	111.7	E640 R642 R647 L648	E640-Q644 PolarHBondContact O-N 3.08Å; E640-Q644 VanDerWaalsContact O-N 3.11Å; R642-Q644 VanDerWaalsContact C-N 3.29Å; R642-Q644 PolarHBondContact O-N 3.47Å; Q644-R647 PolarHBondContact O-N 3.31Å; Q644-L648 WeakPolarHBondContact O-CD1 3.12Å; Q644-L648 VanDerWaalsContact O-CG 3.3Å; Q644-L648 WeakPolarHBondContact O-CG 3.02Å; Q644-L648 PolarHBondContact O-N 2.89Å; Q644-L648 VanDerWaalsContact O-N 3.12Å
645	A	47.7	Very low	42.8	Very low	60 Å²	60	100.2 Å²	100.2	50%	0.496	50%	0.498	S	S	.	.	H	α-helix	trans	-65.1	-36.9	177.6	0	0	0	0	0	113.1	Q641 R642	Q641-A645 WeakPolarHBondContact O-CB 3.42Å; Q641-A645 PolarHBondContact O-N 2.93Å; R642-A645 PolarHBondContact O-N 2.83Å
646	E	48.6	Very low	41.8	Very low	66 Å²	66	102.8 Å²	102.8	31%	0.308	53%	0.531	S	S	.	.	H	α-helix	trans	-73.9	-32	177.2	-74.6	177.1	-169.6	0	0	112.7	N445 R642 Q643	N445-E646 PolarHBondContact ND2-OE2 2.78Å; N445-E646 PolarHBondContact OD1-OE2 3.22Å; R642-E646 IonicContact CZ-OE1 2.63Å; R642-E646 IonicContact NE-OE1 3.75Å; R642-E646 PolarHBondContact NE-OE1 3.36Å; R642-E646 IonicContact NE-OE2 3.57Å; R642-E646 IonicContact NH2-OE1 2.69Å; R642-E646 IonicContact NH2-OE2 3.75Å; R642-E646 WeakPolarHBondContact O-CG 3.31Å; R642-E646 PolarHBondContact O-N 2.64Å; Q643-E646 PolarHBondContact O-N 2.99Å
647	R	47.7	Very low	41	Very low	144 Å²	144	106.3 Å²	106.3	54%	0.543	56%	0.563	S	S	.	*	H	α-helix	trans	-71.7	-27.9	174.1	-74.6	175.4	-178.7	179.2	2.1	112.7	N445 D446 Q643 Q644 R649	N445-R647 PolarHBondContact O-NH2 2.74Å; D446-R647 PolarHBondContact O-NH2 3.47Å; Q643-R647 WeakPolarHBondContact O-CB 3.4Å; Q643-R647 VanDerWaalsContact O-CG 3.24Å; Q643-R647 WeakPolarHBondContact O-CG 3.35Å; Q643-R647 PolarHBondContact O-N 3.26Å; Q644-R647 PolarHBondContact O-N 3.31Å; R647-R649 VanDerWaalsContact C-N 3.33Å; R647-R649 PolarHBondContact O-N 3.35Å; R647-R649 VanDerWaalsContact O-N 3.1Å
648	L	35.3	Very low	39.8	Very low	144 Å²	144	109.7 Å²	109.7	75%	0.754	59%	0.59	S	S	*	*			trans	-83.9	66.2	177.8	-71.5	163.3	0	0	0	111.7	Q644	Q644-L648 WeakPolarHBondContact O-CD1 3.12Å; Q644-L648 VanDerWaalsContact O-CG 3.3Å; Q644-L648 WeakPolarHBondContact O-CG 3.02Å; Q644-L648 PolarHBondContact O-N 2.89Å; Q644-L648 VanDerWaalsContact O-N 3.12Å
649	R	30	Very low	38.4	Very low	220 Å²	220	115.3 Å²	115.3	83%	0.83	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-95.4	139.1	158.5	-74.2	-173.4	174.9	-171.7	-0.5	109.3	R647 M651	R647-R649 VanDerWaalsContact C-N 3.33Å; R647-R649 PolarHBondContact O-N 3.35Å; R647-R649 VanDerWaalsContact O-N 3.1Å; R649-M651 PolarHBondContact O-N 2.98Å
650	P	32.1	Very low	36.9	Very low	132 Å²	132	122.3 Å²	122.3	86%	0.857	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-70.3	119.9	-170.6	-12.7	27	0	0	0	111.6
651	M	24.8	Very low	35.4	Very low	163 Å²	163	125.4 Å²	125.4	80%	0.803	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-67.6	126.5	150.8	-79.3	-171.8	-173.7	0	0	107.9	R649 Y653	R649-M651 PolarHBondContact O-N 2.98Å; M651-Y653 PolarHBondContact O-N 2.88Å; M651-Y653 VanDerWaalsContact O-N 3.17Å
652	A	24.1	Very low	34.1	Very low	105 Å²	105	127.8 Å²	127.8	87%	0.868	68%	0.682	S	S	*	*			trans	-59.2	115.3	172.5	0	0	0	0	0	110
653	Y	27.2	Very low	32.5	Very low	214 Å²	214	131.6 Å²	131.6	84%	0.839	72%	0.715	S	S	*	*			trans	-113	125.9	168.2	-101.9	-88.5	0	0	0	110.7	M651	M651-Y653 PolarHBondContact O-N 2.88Å; M651-Y653 VanDerWaalsContact O-N 3.17Å
654	S	24.2	Very low	31.2	Very low	117 Å²	117	136.9 Å²	136.9	82%	0.818	75%	0.751	S	S	*	*			trans	-68.8	148.7	-177.7	-171.9	0	0	0	0	112.7
655	R	26	Very low	29.9	Very low	242 Å²	242	137.8 Å²	137.8	91%	0.913	77%	0.765	S	S	*	*			trans	-49.8	148.5	-177.3	-72.5	176.7	168.8	-174.1	-3.6	115.8
656	G	24.7	Very low	28.7	Very low	82 Å²	82	143.3 Å²	143.3	85%	0.845	78%	0.78	S	S	*	*			trans	-144.8	104.4	147.8	0	0	0	0	0	109.4
657	A	25	Very low	27.6	Very low	89 Å²	89	150.8 Å²	150.8	74%	0.736	81%	0.807	S	S	*	*			trans	-87.4	140.9	-179.1	0	0	0	0	0	111.5
658	S	26.1	Very low	26.4	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	82%	0.819	S	S	*	*			trans	-138.3	123.2	157.8	51.2	0	0	0	0	109.8
659	H	26.5	Very low	26.2	Very low	167 Å²	167	146.9 Å²	146.9	77%	0.773	82%	0.817	S	S	*	*			trans	-77.6	134.2	-178.1	-67.4	3.9	0	0	0	111.3
660	F	26.3	Very low	25.8	Very low	200 Å²	200	142 Å²	142	88%	0.877	82%	0.817	S	S	*	*			trans	-139.1	119.9	155.2	-89.8	-82.6	0	0	0	109.8
661	I	26.2	Very low	26	Very low	156 Å²	156	140.6 Å²	140.6	80%	0.8	81%	0.808	S	S	*	*			trans	-99.3	138.1	171.8	-60.6	169.9	0	0	0	107.4
662	P	26.4	Very low	25.9	Very low	123 Å²	123	138.8 Å²	138.8	80%	0.799	81%	0.806	S	S	*	*			trans	-119.8	152.9	144.6	5.3	16.3	0	0	0	113.3
663	A	25.7	Very low	26.1	Very low	88 Å²	88	143.7 Å²	143.7	73%	0.727	80%	0.803	S	S	*	*			trans	-78	170.2	-166.4	0	0	0	0	0	114.8
664	P	27.5	Very low	26	Very low	124 Å²	124	140 Å²	140	81%	0.805	80%	0.797	S	S	*	*			trans	-89	148.3	-171.7	35.2	-30.2	0	0	0	112.5
665	V	25.9	Very low	26.4	Very low	146 Å²	146	137.8 Å²	137.8	89%	0.885	78%	0.779	S	S	*	*			trans	-127.9	126.1	166.4	-172.8	0	0	0	0	109.5
666	Q	23.5	Very low	27	Very low	176 Å²	176	130.3 Å²	130.3	82%	0.822	76%	0.757	S	S	*	*			trans	-93.1	136.3	-179.7	-78.8	176	-34.9	0	0	112.6
667	Y	25.4	Very low	27.9	Very low	222 Å²	222	126.7 Å²	126.7	87%	0.871	72%	0.72	S	S	*	*			trans	39.3	131.1	142.7	-80	-89.4	0	0	0	123.4
668	A	22.3	Very low	28.9	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	69%	0.693	S	S	*	*				-158.5	146.3	119.5	0	0	0	0	0	112.2
669	P	29.9	Very low	30.1	Very low	111 Å²	111	119.3 Å²	119.3	72%	0.721	66%	0.66	S	S	*	*			trans	-101.1	157.7	-172.8	38.3	-32.2	0	0	0	113.7
670	S	22.7	Very low	32	Very low	118 Å²	118	113.5 Å²	113.5	83%	0.825	63%	0.633	S	S	*	*				169	156.8	127.3	-77.6	0	0	0	0	113.5
671	P	35.1	Very low	34.5	Very low	102 Å²	102	104.7 Å²	104.7	66%	0.662	60%	0.595	S	S	*	*			trans	-103.6	158.6	-153.8	38.8	-30.8	0	0	0	113.8
672	V	23.2	Very low	37.1	Very low	125 Å²	125	98.6 Å²	98.6	76%	0.758	56%	0.563	S	S	*	*			trans	-145.3	113.8	154.2	-169.7	0	0	0	0	109.4	L674	V672-L674 HydrophobicContact CG1-CD1 3.87Å; V672-L674 PolarHBondContact O-N 3.48Å
673	Y	28.2	Very low	39.6	Very low	207 Å²	207	93.2 Å²	93.2	81%	0.812	53%	0.528	S	S	*	.			trans	-73.5	112.6	164	-68	-90.1	0	0	0	107.8
674	L	25.3	Very low	41.8	Very low	136 Å²	136	93.2 Å²	93.2	71%	0.712	51%	0.512	S	S	*	.			trans	-98.6	113	169.9	-126	85.8	0	0	0	108.4	V672	V672-L674 HydrophobicContact CG1-CD1 3.87Å; V672-L674 PolarHBondContact O-N 3.48Å
675	V	32	Very low	43.6	Very low	72 Å²	72	87.9 Å²	87.9	44%	0.436	48%	0.477	S	S	.	.			trans	-96.7	118	164.6	-170.2	0	0	0	0	105.4
676	D	38.8	Very low	44.9	Very low	84 Å²	84	86.2 Å²	86.2	45%	0.449	47%	0.469	S	S	.	.			trans	-74.5	137.4	178.3	-148.9	-10.6	0	0	0	109.8
677	G	43.3	Very low	46.3	Very low	7 Å²	7	82.1 Å²	82.1	7%	0.072	47%	0.474	C	S	.	.			trans	-131.5	109.7	-170.1	0	0	0	0	0	111.2	N733	G677-N733 PolarHBondContact O-ND2 3.41Å
678	D	47.5	Very low	47.9	Very low	30 Å²	30	77.5 Å²	77.5	16%	0.16	46%	0.455	C	S	.	.	S	Bend	trans	170	162	152.8	-89.9	-14.1	0	0	0	107.8	H680 N695 N697 N733 T734	D678-H680 VanDerWaalsContact C-N 3.33Å; D678-H680 PolarHBondContact O-CD2 3.38Å; D678-H680 VanDerWaalsContact O-CD2 3.29Å; D678-H680 PolarHBondContact O-N 3.23Å; D678-N695 HydrophobicContact CB-CB 4.45Å; D678-N695 WeakPolarHBondContact CB-ND2 3.32Å; D678-N695 PolarHBondContact OD2-ND2 2.88Å; D678-N697 PolarHBondContact OD2-ND2 3.12Å; D678-N697 PolarHBondContact OD2-OD1 3.24Å; D678-N733 VanDerWaalsContact OD1-CA 3.23Å; D678-N733 WeakPolarHBondContact OD1-CA 3.32Å; D678-N733 WeakPolarHBondContact OD1-CB 3.27Å; D678-T734 PolarHBondContact OD1-N 3.08Å
679	P	50.9	Low	49.7	Very low	15 Å²	15	80.9 Å²	80.9	10%	0.097	46%	0.46	C	S	.	.			trans	-76.9	91	178.4	16.7	0.2	0	0	0	107.9	F681 T734 F736	P679-F681 PolarHBondContact O-N 2.9Å; P679-T734 WeakPolarHBondContact CD-O 3.16Å; P679-T734 WeakPolarHBondContact CG-O 3.39Å; P679-F736 HydrophobicContact CB-CD2 3.96Å; P679-F736 HydrophobicContact CB-CE2 3.85Å
680	H	66.3	Low	51.7	Low	45 Å²	45	78.3 Å²	78.3	21%	0.208	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	113.1	174	-71.1	-75.6	0	0	0	109.4	D678 N695 Q878 F895	D678-H680 VanDerWaalsContact C-N 3.33Å; D678-H680 PolarHBondContact O-CD2 3.38Å; D678-H680 VanDerWaalsContact O-CD2 3.29Å; D678-H680 PolarHBondContact O-N 3.23Å; H680-N695 WeakPolarHBondContact CA-OD1 3.44Å; H680-N695 VanDerWaalsContact CE1-CG 3.47Å; H680-N695 PolarHBondContact CE1-ND2 3.34Å; H680-N695 PolarHBondContact CE1-OD1 3.08Å; H680-N695 VanDerWaalsContact CG-OD1 3.3Å; H680-N695 PolarHBondContact ND1-OD1 3.36Å; H680-Q878 PolarHBondContact CE1-OE1 2.94Å; H680-Q878 PolarHBondContact ND1-OE1 3.44Å; H680-F895 AromaticContact CE1-CE2 3.7Å; H680-F895 AromaticContact ND1-CE2 3.63Å
681	F	79.5	Confident	54.7	Low	16 Å²	16	73.3 Å²	73.3	7%	0.07	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.9	163.4	-64.4	-65.9	0	0	0	108.4	P679 C693 F694 I696 L706 F736 L837	P679-F681 PolarHBondContact O-N 2.9Å; F681-C693 WeakPolarHBondContact O-CA 3.38Å; F681-F694 HydrophobicContact CB-CD1 4.04Å; F681-F694 HydrophobicContact CB-CE1 3.67Å; F681-F694 HydrophobicContact CB-CZ 4.06Å; F681-F694 HydrophobicContact CD2-CD2 4.25Å; F681-F694 HydrophobicContact CD2-CE1 4.09Å; F681-F694 AromaticContact CD2-CE2 3.69Å; F681-F694 HydrophobicContact CD2-CE2 3.69Å; F681-F694 AromaticContact CD2-CZ 3.59Å; F681-F694 HydrophobicContact CD2-CZ 3.59Å; F681-F694 HydrophobicContact CE2-CE2 4.31Å; F681-F694 HydrophobicContact CE2-CZ 4.38Å; F681-F694 HydrophobicContact CG-CE1 4.22Å; F681-F694 HydrophobicContact CG-CZ 4.09Å; F681-F694 PolarHBondContact N-O 2.94Å; F681-F694 PolarHBondContact O-N 3.3Å; F681-F694 VanDerWaalsContact O-N 3.16Å; F681-I696 HydrophobicContact CD2-CD1 4.27Å; F681-I696 HydrophobicContact CD2-CG1 4.25Å; F681-I696 HydrophobicContact CE2-CB 4.27Å; F681-I696 HydrophobicContact CE2-CD1 3.54Å; F681-I696 HydrophobicContact CE2-CG1 3.77Å; F681-I696 HydrophobicContact CZ-CD1 4.42Å; F681-L706 HydrophobicContact CE1-CD2 4.06Å; F681-L706 HydrophobicContact CZ-CD2 3.81Å; F681-F736 HydrophobicContact CE1-CE2 4.06Å; F681-F736 AromaticContact CZ-CE2 3.67Å; F681-F736 HydrophobicContact CZ-CE2 3.67Å; F681-F736 AromaticContact CZ-CZ 3.89Å; F681-F736 HydrophobicContact CZ-CZ 3.89Å; F681-L837 HydrophobicContact CB-CD2 4.06Å; F681-L837 HydrophobicContact CD1-CD1 3.91Å; F681-L837 HydrophobicContact CD1-CD2 3.49Å; F681-L837 VanDerWaalsContact CD1-CD2 3.49Å; F681-L837 HydrophobicContact CD1-CG 3.87Å; F681-L837 HydrophobicContact CE1-CD1 3.9Å; F681-L837 HydrophobicContact CE1-CD2 4.13Å; F681-L837 HydrophobicContact CE1-CG 3.99Å; F681-L837 HydrophobicContact CG-CD2 3.92Å
682	I	78.9	Confident	57.2	Low	27 Å²	27	68.4 Å²	68.4	14%	0.138	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116	173.3	-58.1	175	0	0	0	106.7	Q878 D880 V891	I682-Q878 HydrophobicContact CD1-CB 4.16Å; I682-D880 HydrophobicContact CD1-CB 3.73Å; I682-V891 HydrophobicContact CG2-CG1 4.47Å
683	I	79.8	Confident	60.2	Low	11 Å²	11	62.5 Å²	62.5	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.6	179.6	-58.6	161.7	0	0	0	107.6	L685 S691 L692 F694 F840 L903	I683-L685 HydrophobicContact CG2-CD2 3.87Å; I683-L685 HydrophobicContact CG2-CG 4.27Å; I683-S691 WeakPolarHBondContact O-CA 3.44Å; I683-L692 HydrophobicContact CB-CB 4.31Å; I683-L692 PolarHBondContact N-O 3.1Å; I683-L692 PolarHBondContact O-N 3.39Å; I683-F694 HydrophobicContact CD1-CD1 4.25Å; I683-F694 HydrophobicContact CD1-CE1 3.7Å; I683-F840 HydrophobicContact CD1-CB 4.4Å; I683-F840 HydrophobicContact CD1-CD1 4.23Å; I683-F840 HydrophobicContact CD1-CD2 3.29Å; I683-F840 HydrophobicContact CD1-CE1 4.35Å; I683-F840 HydrophobicContact CD1-CE2 3.43Å; I683-F840 VanDerWaalsContact CD1-CE2 3.43Å; I683-F840 HydrophobicContact CD1-CG 3.72Å; I683-F840 HydrophobicContact CD1-CZ 3.97Å; I683-F840 HydrophobicContact CG1-CD2 4.11Å; I683-F840 HydrophobicContact CG1-CG 4.46Å; I683-F840 HydrophobicContact CG2-CB 3.79Å; I683-F840 HydrophobicContact CG2-CG 4.21Å; I683-L903 HydrophobicContact CD1-CD2 4.5Å
684	E	71.4	Confident	63	Low	87 Å²	87	52.6 Å²	52.6	41%	0.407	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	135	169.8	-73.6	176	169.3	0	0	109.8	R882	E684-R882 IonicContact OE1-CZ 3.73Å; E684-R882 IonicContact OE1-NH1 3.94Å; E684-R882 IonicContact OE1-NH2 3.85Å; E684-R882 PolarHBondContact OE1-NH2 3.02Å; E684-R882 IonicContact OE2-CZ 2.74Å; E684-R882 IonicContact OE2-NH1 3.23Å; E684-R882 PolarHBondContact OE2-NH1 3.39Å; E684-R882 IonicContact OE2-NH2 2.99Å; E684-R882 PolarHBondContact OE2-NH2 2.72Å; E684-R882 VanDerWaalsContact OE2-NH2 3.09Å
685	L	65.5	Low	65.7	Low	13 Å²	13	46.8 Å²	46.8	7%	0.068	27%	0.269	C	S	.	.			trans	-111.3	128.1	-176.5	-63.5	168.2	0	0	0	110	I683 G687 R688 L692 I844 Y846	I683-L685 HydrophobicContact CG2-CD2 3.87Å; I683-L685 HydrophobicContact CG2-CG 4.27Å; L685-G687 PolarHBondContact O-N 3.03Å; L685-R688 PolarHBondContact O-N 3.35Å; L685-L692 HydrophobicContact CD1-CD1 4.03Å; L685-L692 HydrophobicContact CD1-CG 4.32Å; L685-I844 HydrophobicContact CD1-CG2 3.42Å; L685-I844 VanDerWaalsContact CD1-CG2 3.42Å; L685-I844 HydrophobicContact CD2-CG2 3.59Å; L685-I844 HydrophobicContact CG-CG2 4.13Å; L685-Y846 HydrophobicContact CD1-CD1 3.94Å; L685-Y846 HydrophobicContact CD1-CE1 3.51Å
686	P	52.9	Low	67.9	Low	110 Å²	110	43.4 Å²	43.4	71%	0.714	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	130.7	179.9	-22.9	31.6	0	0	0	111.6
687	G	53	Low	69.6	Low	90 Å²	90	42.2 Å²	42.2	93%	0.928	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	4.3	174.3	0	0	0	0	0	116.4	L685	L685-G687 PolarHBondContact O-N 3.03Å
688	R	59.1	Low	71.4	Confident	125 Å²	125	44.9 Å²	44.9	47%	0.472	25%	0.254	S	S	.	.			trans	-125.6	140.7	174.8	-67.9	-172.4	171.6	-163.7	-1.5	111.7	L685 D690 Y846	L685-R688 PolarHBondContact O-N 3.35Å; R688-D690 PolarHBondContact O-N 3.24Å; R688-Y846 PolarHBondContact NH1-O 3.45Å
689	N	60.9	Low	73.1	Confident	168 Å²	168	46.2 Å²	46.2	90%	0.898	27%	0.269	S	S	*	.	S	Bend	trans	-78.8	10.5	179.7	-88.4	-3.9	0	0	0	114.2
690	D	72.3	Confident	74.8	Confident	57 Å²	57	49 Å²	49	31%	0.305	29%	0.287	S	S	.	.			trans	-123.8	141.9	-175.1	-84.3	-35.3	0	0	0	111.7	R688 Y846 R875	R688-D690 PolarHBondContact O-N 3.24Å; D690-Y846 WeakPolarHBondContact CB-OH 3.48Å; D690-R875 IonicContact OD1-CZ 3.81Å; D690-R875 IonicContact OD1-NH1 3.23Å; D690-R875 PolarHBondContact OD1-NH1 3Å; D690-R875 IonicContact OD1-NH2 3.53Å; D690-R875 PolarHBondContact OD1-NH2 3.46Å
691	S	85.2	Confident	75.7	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.084	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.5	178.1	-47.1	0	0	0	0	112	I683 C893 W894	I683-S691 WeakPolarHBondContact O-CA 3.44Å; S691-C893 CarbonylContact O-C 3.5Å; S691-C893 VanDerWaalsContact O-CA 3.24Å; S691-C893 WeakPolarHBondContact O-CA 3.19Å; S691-C893 WeakPolarHBondContact O-CB 3.46Å; S691-W894 PolarHBondContact O-N 3.12Å
692	L	86.6	Confident	76.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140	173	-57.7	-178	0	0	0	109.6	I683 L685 I844 Y846 M864 W894 I896 L903	I683-L692 HydrophobicContact CB-CB 4.31Å; I683-L692 PolarHBondContact N-O 3.1Å; I683-L692 PolarHBondContact O-N 3.39Å; L685-L692 HydrophobicContact CD1-CD1 4.03Å; L685-L692 HydrophobicContact CD1-CG 4.32Å; L692-I844 HydrophobicContact CD1-CG2 4.11Å; L692-Y846 HydrophobicContact CD1-CD1 4.17Å; L692-Y846 HydrophobicContact CD1-CE1 4.31Å; L692-Y846 HydrophobicContact CD2-CD1 4.45Å; L692-Y846 HydrophobicContact CD2-CD2 4.33Å; L692-Y846 HydrophobicContact CD2-CE1 4.16Å; L692-Y846 HydrophobicContact CD2-CE2 4Å; L692-Y846 HydrophobicContact CG-CE1 4.33Å; L692-M864 HydrophobicContact CD2-CE 3.32Å; L692-M864 HydrophobicContact CD2-SD 3.9Å; L692-W894 HydrophobicContact CD2-CB 4.16Å; L692-I896 HydrophobicContact CB-CD1 4.04Å; L692-I896 HydrophobicContact CD2-CD1 4.43Å; L692-L903 HydrophobicContact CD1-CD1 3.89Å; L692-L903 HydrophobicContact CD1-CD2 4.32Å
693	C	86.6	Confident	76.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139.7	-179.4	52.6	0	0	0	0	112.7	F681 Q878 C893 W894 F895 I896	F681-C693 WeakPolarHBondContact O-CA 3.38Å; C693-Q878 HydrophobicContact CB-CG 4.25Å; C693-C893 HydrophobicContact CB-CB 3.72Å; C693-C893 WeakPolarHBondContact CB-SG 3.2Å; C693-C893 WeakPolarHBondContact SG-CB 3.4Å; C693-C893 CovalentContact SG-SG 2.02Å; C693-C893 PolarHBondContact SG-SG 3.17Å; C693-W894 PolarHBondContact N-O 3.43Å; C693-W894 PolarHBondContact SG-O 3.41Å; C693-F895 HydrophobicContact CB-CD2 4.48Å; C693-F895 CarbonylContact O-C 3.56Å; C693-F895 VanDerWaalsContact O-CA 3.31Å; C693-F895 WeakPolarHBondContact O-CA 3.36Å; C693-F895 VanDerWaalsContact SG-CA 3.55Å; C693-I896 VanDerWaalsContact O-CD1 3.28Å; C693-I896 WeakPolarHBondContact O-CD1 3.26Å; C693-I896 PolarHBondContact O-N 3.45Å
694	F	86.6	Confident	77.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	159.6	177.3	72.2	-77.9	0	0	0	111	F681 I683 I696 F840 I896 L903 I904	F681-F694 HydrophobicContact CB-CD1 4.04Å; F681-F694 HydrophobicContact CB-CE1 3.67Å; F681-F694 HydrophobicContact CB-CZ 4.06Å; F681-F694 HydrophobicContact CD2-CD2 4.25Å; F681-F694 HydrophobicContact CD2-CE1 4.09Å; F681-F694 AromaticContact CD2-CE2 3.69Å; F681-F694 HydrophobicContact CD2-CE2 3.69Å; F681-F694 AromaticContact CD2-CZ 3.59Å; F681-F694 HydrophobicContact CD2-CZ 3.59Å; F681-F694 HydrophobicContact CE2-CE2 4.31Å; F681-F694 HydrophobicContact CE2-CZ 4.38Å; F681-F694 HydrophobicContact CG-CE1 4.22Å; F681-F694 HydrophobicContact CG-CZ 4.09Å; F681-F694 PolarHBondContact N-O 2.94Å; F681-F694 PolarHBondContact O-N 3.3Å; F681-F694 VanDerWaalsContact O-N 3.16Å; I683-F694 HydrophobicContact CD1-CD1 4.25Å; I683-F694 HydrophobicContact CD1-CE1 3.7Å; F694-I696 HydrophobicContact CD2-CG1 4.1Å; F694-I696 HydrophobicContact CE2-CD1 3.86Å; F694-I696 HydrophobicContact CE2-CG1 3.72Å; F694-F840 HydrophobicContact CE1-CE2 4.42Å; F694-I896 HydrophobicContact CB-CB 4.14Å; F694-L903 HydrophobicContact CD1-CD2 4.21Å; F694-I904 HydrophobicContact CE2-CG2 3.91Å; F694-I904 HydrophobicContact CZ-CG2 3.81Å
695	N	82.4	Confident	78.6	Confident	14 Å²	14	44.5 Å²	44.5	8%	0.075	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	159.8	178.5	-66.3	6.3	0	0	0	110.1	D678 H680 F895 N899	D678-N695 HydrophobicContact CB-CB 4.45Å; D678-N695 WeakPolarHBondContact CB-ND2 3.32Å; D678-N695 PolarHBondContact OD2-ND2 2.88Å; H680-N695 WeakPolarHBondContact CA-OD1 3.44Å; H680-N695 VanDerWaalsContact CE1-CG 3.47Å; H680-N695 PolarHBondContact CE1-ND2 3.34Å; H680-N695 PolarHBondContact CE1-OD1 3.08Å; H680-N695 VanDerWaalsContact CG-OD1 3.3Å; H680-N695 PolarHBondContact ND1-OD1 3.36Å; N695-F895 HydrophobicContact CB-CZ 4.45Å; N695-N899 CarbonylContact O-C 3.57Å; N695-N899 WeakPolarHBondContact O-CA 3.43Å
696	I	79	Confident	79.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	28%	0.275	C	S	.	.			trans	-127.5	111.8	163.4	-62.7	-178.5	0	0	0	109.1	F681 F694 F704 L836 A908	F681-I696 HydrophobicContact CD2-CD1 4.27Å; F681-I696 HydrophobicContact CD2-CG1 4.25Å; F681-I696 HydrophobicContact CE2-CB 4.27Å; F681-I696 HydrophobicContact CE2-CD1 3.54Å; F681-I696 HydrophobicContact CE2-CG1 3.77Å; F681-I696 HydrophobicContact CZ-CD1 4.42Å; F694-I696 HydrophobicContact CD2-CG1 4.1Å; F694-I696 HydrophobicContact CE2-CD1 3.86Å; F694-I696 HydrophobicContact CE2-CG1 3.72Å; I696-F704 HydrophobicContact CG2-CE1 3.78Å; I696-F704 HydrophobicContact CG2-CE2 3.77Å; I696-F704 HydrophobicContact CG2-CZ 3.34Å; I696-L836 HydrophobicContact CD1-CD1 3.36Å; I696-L836 HydrophobicContact CD1-CD2 3.44Å; I696-L836 VanDerWaalsContact CD1-CD2 3.44Å; I696-L836 HydrophobicContact CD1-CG 3.92Å; I696-A908 HydrophobicContact CG2-CB 4.2Å
697	N	74.6	Confident	81.9	Confident	59 Å²	59	38.7 Å²	38.7	32%	0.316	24%	0.241	S	C	.	.			trans	-105.7	126.1	176.9	-69.7	-25.9	0	0	0	110.5	D678 N899	D678-N697 PolarHBondContact OD2-ND2 3.12Å; D678-N697 PolarHBondContact OD2-OD1 3.24Å; N697-N899 PolarHBondContact N-OD1 2.8Å; N697-N899 VanDerWaalsContact N-OD1 3.14Å; N697-N899 PolarHBondContact O-ND2 3.41Å
698	N	81.1	Confident	83.8	Confident	63 Å²	63	38.5 Å²	38.5	34%	0.337	21%	0.212	S	C	.	.			trans	-152.2	177.2	178.2	-157.3	-51.2	0	0	0	110.1	T702 F704 I720	N698-T702 HydrophobicContact CB-CG2 4.32Å; N698-T702 PolarHBondContact OD1-OG1 2.95Å; N698-F704 HydrophobicContact CB-CE2 4.16Å; N698-F704 HydrophobicContact CB-CZ 3.65Å; N698-I720 HydrophobicContact CB-CD1 4.03Å; N698-I720 WeakPolarHBondContact O-CD1 3.14Å
699	A	83.6	Confident	85.4	Confident	57 Å²	57	32.5 Å²	32.5	47%	0.471	19%	0.19	S	C	.	.			trans	-59.9	135.2	179.4	0	0	0	0	0	111.7	G701 T702 I720	A699-G701 PolarHBondContact O-N 3.18Å; A699-T702 WeakPolarHBondContact O-CB 3.05Å; A699-T702 PolarHBondContact O-N 3.07Å; A699-T702 VanDerWaalsContact O-N 3.11Å; A699-T702 PolarHBondContact O-OG1 2.72Å; A699-I720 WeakPolarHBondContact O-CD1 3.47Å
700	P	85.8	Confident	86.8	Confident	73 Å²	73	27.3 Å²	27.3	47%	0.474	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	132.1	172.7	-29.1	36.4	0	0	0	111.9
701	G	85.6	Confident	87.6	Confident	37 Å²	37	31.1 Å²	31.1	38%	0.381	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-15.2	-175.3	0	0	0	0	0	114.5	A699 Q719 I720	A699-G701 PolarHBondContact O-N 3.18Å; G701-Q719 PolarHBondContact O-NE2 2.69Å; G701-I720 WeakPolarHBondContact CA-O 3.44Å; G701-I720 PolarHBondContact N-O 2.81Å
702	T	90.6	Very high	87.7	Confident	22 Å²	22	31.7 Å²	31.7	14%	0.135	19%	0.186	C	C	.	.			trans	-58.7	139.1	173	-62.9	0	0	0	0	110.9	N698 A699 F704 Q719 I720 V912	N698-T702 HydrophobicContact CB-CG2 4.32Å; N698-T702 PolarHBondContact OD1-OG1 2.95Å; A699-T702 WeakPolarHBondContact O-CB 3.05Å; A699-T702 PolarHBondContact O-N 3.07Å; A699-T702 VanDerWaalsContact O-N 3.11Å; A699-T702 PolarHBondContact O-OG1 2.72Å; T702-F704 HydrophobicContact CG2-CD2 4.3Å; T702-F704 HydrophobicContact CG2-CE1 4.07Å; T702-F704 HydrophobicContact CG2-CE2 3.8Å; T702-F704 HydrophobicContact CG2-CZ 3.67Å; T702-Q719 WeakPolarHBondContact O-CA 3.3Å; T702-I720 WeakPolarHBondContact O-CG1 3.38Å; T702-I720 PolarHBondContact O-N 3.08Å; T702-V912 HydrophobicContact CG2-CB 4.42Å; T702-V912 HydrophobicContact CG2-CG1 3.89Å; T702-V912 HydrophobicContact CG2-CG2 3.68Å
703	I	93.1	Very high	87.8	Confident	18 Å²	18	31.8 Å²	31.8	9%	0.092	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.7	178.7	-51.5	173.5	0	0	0	108.2	N717 G718 Q719 V912 V913 L916	I703-N717 HydrophobicContact CG2-CB 4.03Å; I703-G718 CarbonylContact C-O 3.38Å; I703-G718 WeakPolarHBondContact CA-O 3.3Å; I703-Q719 HydrophobicContact CG1-CB 4.04Å; I703-Q719 HydrophobicContact CG1-CG 3.91Å; I703-V912 CarbonylContact O-C 3.54Å; I703-V912 VanDerWaalsContact O-CA 3.32Å; I703-V912 WeakPolarHBondContact O-CA 3.44Å; I703-V913 HydrophobicContact CB-CG2 3.97Å; I703-V913 HydrophobicContact CG2-CG2 3.52Å; I703-V913 PolarHBondContact O-N 3.23Å; I703-L916 HydrophobicContact CD1-CG 4.33Å; I703-L916 HydrophobicContact CG2-CD2 3.84Å; I703-L916 HydrophobicContact CG2-CG 4.36Å
704	F	92.6	Very high	88.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140	-179.3	-71.9	-70.7	0	0	0	111.9	I696 N698 T702 L706 N717 G718 I720 F736 L836 A908 Y911 V912	I696-F704 HydrophobicContact CG2-CE1 3.78Å; I696-F704 HydrophobicContact CG2-CE2 3.77Å; I696-F704 HydrophobicContact CG2-CZ 3.34Å; N698-F704 HydrophobicContact CB-CE2 4.16Å; N698-F704 HydrophobicContact CB-CZ 3.65Å; T702-F704 HydrophobicContact CG2-CD2 4.3Å; T702-F704 HydrophobicContact CG2-CE1 4.07Å; T702-F704 HydrophobicContact CG2-CE2 3.8Å; T702-F704 HydrophobicContact CG2-CZ 3.67Å; F704-L706 HydrophobicContact CB-CD2 4.25Å; F704-N717 CarbonylContact O-C 3.6Å; F704-N717 WeakPolarHBondContact O-CA 3.29Å; F704-G718 PolarHBondContact N-O 2.79Å; F704-G718 PolarHBondContact O-N 2.91Å; F704-I720 HydrophobicContact CD2-CG2 4.15Å; F704-I720 HydrophobicContact CE2-CD1 4.01Å; F704-I720 HydrophobicContact CE2-CG1 4.28Å; F704-I720 HydrophobicContact CE2-CG2 4.19Å; F704-F736 HydrophobicContact CB-CE1 4.47Å; F704-F736 HydrophobicContact CD2-CE1 4.23Å; F704-F736 HydrophobicContact CD2-CZ 4.29Å; F704-L836 HydrophobicContact CB-CD1 3.7Å; F704-L836 HydrophobicContact CD1-CD1 3.82Å; F704-L836 HydrophobicContact CG-CD1 3.93Å; F704-A908 WeakPolarHBondContact CE1-O 3.46Å; F704-Y911 CarbonylContact C-O 3.58Å; F704-Y911 WeakPolarHBondContact CA-O 3.43Å; F704-V912 HydrophobicContact CD1-CG2 4.05Å; F704-V912 HydrophobicContact CE1-CG2 3.68Å; F704-V912 HydrophobicContact CZ-CG2 4.46Å
705	N	93.9	Very high	88.5	Confident	16 Å²	16	32 Å²	32	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	115.2	166.7	-178.9	-102.2	0	0	0	110.4	R708 N717 L836 Y911 V913	N705-R708 WeakPolarHBondContact OD1-CB 3.47Å; N705-N717 WeakPolarHBondContact CA-OD1 3.24Å; N705-N717 PolarHBondContact ND2-OD1 2.82Å; N705-L836 WeakPolarHBondContact O-CG 3.38Å; N705-L836 PolarHBondContact O-N 3.47Å; N705-L836 VanDerWaalsContact O-N 3.14Å; N705-Y911 PolarHBondContact N-O 2.87Å; N705-V913 HydrophobicContact CB-CG1 4.05Å
706	L	93.1	Very high	89.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-46.1	-176.4	-58.9	-176.8	0	0	0	111.7	F681 F704 V716 F736 F739 F821 G835 L836 L837 G838	F681-L706 HydrophobicContact CE1-CD2 4.06Å; F681-L706 HydrophobicContact CZ-CD2 3.81Å; F704-L706 HydrophobicContact CB-CD2 4.25Å; L706-V716 HydrophobicContact CB-CG1 4.42Å; L706-V716 PolarHBondContact N-O 2.81Å; L706-F736 HydrophobicContact CD2-CE1 4.45Å; L706-F736 HydrophobicContact CD2-CZ 3.97Å; L706-F739 HydrophobicContact CD1-CD1 4.01Å; L706-F739 HydrophobicContact CD1-CE1 3.56Å; L706-F821 HydrophobicContact CD1-CD1 4.27Å; L706-F821 HydrophobicContact CD1-CG 4.43Å; L706-G835 CarbonylContact O-C 3.56Å; L706-L836 HydrophobicContact CD2-CB 4.27Å; L706-L836 HydrophobicContact CD2-CD1 4.02Å; L706-L836 PolarHBondContact O-N 2.8Å; L706-L837 PolarHBondContact O-N 3.05Å; L706-G838 PolarHBondContact O-N 2.88Å; L706-G838 VanDerWaalsContact O-N 3.16Å
707	V	93.4	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	130.2	178.8	-173.2	0	0	0	0	108.4	F715 V716 F821 L829 V833 H834 Y841	V707-F715 CarbonylContact O-C 3.58Å; V707-F715 WeakPolarHBondContact O-CA 3.37Å; V707-V716 HydrophobicContact CB-CB 4.03Å; V707-V716 HydrophobicContact CB-CG2 4.1Å; V707-V716 HydrophobicContact CG2-CB 4.37Å; V707-V716 HydrophobicContact CG2-CG2 4.5Å; V707-V716 PolarHBondContact N-O 3.14Å; V707-V716 PolarHBondContact O-N 3.03Å; V707-F821 HydrophobicContact CG2-CE1 4.16Å; V707-F821 HydrophobicContact CG2-CZ 4.48Å; V707-L829 HydrophobicContact CG1-CD1 4.22Å; V707-V833 HydrophobicContact CG1-CG2 3.79Å; V707-H834 CarbonylContact C-O 3.49Å; V707-H834 WeakPolarHBondContact CA-O 3.41Å; V707-Y841 HydrophobicContact CG1-CE2 4.25Å; V707-Y841 HydrophobicContact CG2-CE2 3.81Å
708	R	93.5	Very high	90.7	Very high	86 Å²	86	28.5 Å²	28.5	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.6	177.5	176.5	174.6	-176.6	-85.2	2	108	N705 P710 F715 H834 V920	N705-R708 WeakPolarHBondContact OD1-CB 3.47Å; R708-P710 HydrophobicContact CG-CG 4.38Å; R708-F715 HydrophobicContact CB-CD1 4.46Å; R708-F715 HydrophobicContact CG-CD1 3.96Å; R708-F715 HydrophobicContact CG-CE1 3.77Å; R708-H834 PolarHBondContact N-O 3.46Å; R708-H834 PolarHBondContact O-N 3.39Å; R708-V920 PolarHBondContact NE-O 3.04Å; R708-V920 PolarHBondContact NH2-OXT 3.26Å
709	D	93.1	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	93.3	175.9	-171	-17	0	0	0	109.3	E711 A712 G713 V714 L829 S830 V833	D709-E711 VanDerWaalsContact C-N 3.28Å; D709-E711 PolarHBondContact O-N 2.95Å; D709-E711 PolarHBondContact OD1-N 2.74Å; D709-E711 VanDerWaalsContact OD1-N 3.16Å; D709-A712 HydrophobicContact CB-CB 4.17Å; D709-A712 VanDerWaalsContact CG-CB 3.42Å; D709-A712 PolarHBondContact OD1-N 3.48Å; D709-A712 WeakPolarHBondContact OD2-CB 3.29Å; D709-G713 CarbonylContact O-C 3.55Å; D709-G713 WeakPolarHBondContact O-CA 3.37Å; D709-G713 PolarHBondContact O-N 2.69Å; D709-V714 HydrophobicContact CB-CB 4.43Å; D709-V714 PolarHBondContact N-O 3.27Å; D709-V714 PolarHBondContact O-N 2.89Å; D709-L829 HydrophobicContact CB-CD2 4.06Å; D709-L829 WeakPolarHBondContact OD2-CA 3.48Å; D709-L829 WeakPolarHBondContact OD2-CD2 3.4Å; D709-S830 WeakPolarHBondContact OD1-CB 3.42Å; D709-S830 PolarHBondContact OD1-OG 2.98Å; D709-S830 PolarHBondContact OD2-N 3.17Å; D709-S830 PolarHBondContact OD2-OG 2.72Å; D709-V833 HydrophobicContact CB-CB 4.1Å; D709-V833 HydrophobicContact CB-CG2 3.96Å
710	P	89.7	Confident	91.6	Very high	58 Å²	58	24.4 Å²	24.4	38%	0.377	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.5	179.7	-21.5	34.3	0	0	0	113.5	R708 G713	R708-P710 HydrophobicContact CG-CG 4.38Å; P710-G713 PolarHBondContact O-N 2.57Å
711	E	88.9	Confident	91.6	Very high	138 Å²	138	22.2 Å²	22.2	65%	0.645	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-45.4	-178.3	-69.1	-178.8	-178.7	0	0	111.4	D709 G713 S830 S832	D709-E711 VanDerWaalsContact C-N 3.28Å; D709-E711 PolarHBondContact O-N 2.95Å; D709-E711 PolarHBondContact OD1-N 2.74Å; D709-E711 VanDerWaalsContact OD1-N 3.16Å; E711-G713 PolarHBondContact O-N 2.86Å; E711-S830 WeakPolarHBondContact OE2-CB 3.3Å; E711-S832 WeakPolarHBondContact CG-OG 3.47Å
712	A	87.8	Confident	91.3	Very high	24 Å²	24	20.8 Å²	20.8	20%	0.198	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.6	171.8	0	0	0	0	0	112.3	D709 V714 H743	D709-A712 HydrophobicContact CB-CB 4.17Å; D709-A712 VanDerWaalsContact CG-CB 3.42Å; D709-A712 PolarHBondContact OD1-N 3.48Å; D709-A712 WeakPolarHBondContact OD2-CB 3.29Å; A712-V714 HydrophobicContact CB-CG2 4.15Å; A712-H743 PolarHBondContact O-CE1 2.82Å; A712-H743 PolarHBondContact O-NE2 3.47Å
713	G	89.7	Confident	90.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	22.3	-178.6	0	0	0	0	0	114	D709 P710 E711 H743 Q744	D709-G713 CarbonylContact O-C 3.55Å; D709-G713 WeakPolarHBondContact O-CA 3.37Å; D709-G713 PolarHBondContact O-N 2.69Å; P710-G713 PolarHBondContact O-N 2.57Å; E711-G713 PolarHBondContact O-N 2.86Å; G713-H743 CarbonylContact O-C 3.35Å; G713-H743 VanDerWaalsContact O-CA 3.27Å; G713-H743 WeakPolarHBondContact O-CA 3.46Å; G713-Q744 PolarHBondContact O-N 3.12Å
714	V	92.9	Very high	89.4	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.4	-172.8	179.9	0	0	0	0	111.4	D709 A712 V742 V799 F801 L829	D709-V714 HydrophobicContact CB-CB 4.43Å; D709-V714 PolarHBondContact N-O 3.27Å; D709-V714 PolarHBondContact O-N 2.89Å; A712-V714 HydrophobicContact CB-CG2 4.15Å; V714-V742 WeakPolarHBondContact CA-O 3.36Å; V714-V799 HydrophobicContact CG1-CG1 4.03Å; V714-V799 HydrophobicContact CG2-CG1 4.27Å; V714-F801 HydrophobicContact CG1-CE2 4.05Å; V714-F801 HydrophobicContact CG1-CZ 3.65Å; V714-L829 HydrophobicContact CB-CD2 4.28Å; V714-L829 HydrophobicContact CG1-CD2 4.47Å; V714-L829 HydrophobicContact CG2-CD2 4.47Å
715	F	93.6	Very high	88.1	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.7	179.9	-59.2	-98.7	0	0	0	110.6	V707 R708 I741 V742 Q744 T919	V707-F715 CarbonylContact O-C 3.58Å; V707-F715 WeakPolarHBondContact O-CA 3.37Å; R708-F715 HydrophobicContact CB-CD1 4.46Å; R708-F715 HydrophobicContact CG-CD1 3.96Å; R708-F715 HydrophobicContact CG-CE1 3.77Å; F715-I741 CarbonylContact O-C 3.55Å; F715-I741 WeakPolarHBondContact O-CA 3.35Å; F715-V742 HydrophobicContact CB-CB 4.39Å; F715-V742 PolarHBondContact N-O 2.86Å; F715-V742 PolarHBondContact O-N 2.91Å; F715-Q744 HydrophobicContact CD2-CG 4.04Å; F715-Q744 HydrophobicContact CE2-CG 3.72Å; F715-T919 HydrophobicContact CB-CG2 4.47Å; F715-T919 HydrophobicContact CD2-CG2 4.15Å; F715-T919 VanDerWaalsContact CE1-O 3.28Å; F715-T919 WeakPolarHBondContact CE1-O 3.45Å; F715-T919 HydrophobicContact CG-CG2 4.18Å
716	V	94.9	Very high	86.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.6	177.7	-175.2	0	0	0	0	110.2	L706 V707 G740 I741 F801 F821	L706-V716 HydrophobicContact CB-CG1 4.42Å; L706-V716 PolarHBondContact N-O 2.81Å; V707-V716 HydrophobicContact CB-CB 4.03Å; V707-V716 HydrophobicContact CB-CG2 4.1Å; V707-V716 HydrophobicContact CG2-CB 4.37Å; V707-V716 HydrophobicContact CG2-CG2 4.5Å; V707-V716 PolarHBondContact N-O 3.14Å; V707-V716 PolarHBondContact O-N 3.03Å; V716-G740 WeakPolarHBondContact CA-O 3.22Å; V716-I741 HydrophobicContact CG1-CG1 4.08Å; V716-I741 HydrophobicContact CG2-CG1 4.15Å; V716-I741 HydrophobicContact CG2-CG2 4.26Å; V716-F801 HydrophobicContact CG2-CE1 4.08Å; V716-F801 HydrophobicContact CG2-CE2 4.24Å; V716-F801 HydrophobicContact CG2-CZ 3.74Å; V716-F821 HydrophobicContact CB-CZ 4.22Å; V716-F821 HydrophobicContact CG1-CD2 4.22Å; V716-F821 HydrophobicContact CG1-CE1 4.29Å; V716-F821 HydrophobicContact CG1-CE2 3.63Å; V716-F821 HydrophobicContact CG1-CZ 3.66Å; V716-F821 HydrophobicContact CG2-CE2 4.4Å; V716-F821 HydrophobicContact CG2-CZ 4.03Å
717	N	95.6	Very high	85.1	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.9	176	-55.7	-55.5	0	0	0	110.6	I703 F704 N705 F739 G740 V913 L916 T918	I703-N717 HydrophobicContact CG2-CB 4.03Å; F704-N717 CarbonylContact O-C 3.6Å; F704-N717 WeakPolarHBondContact O-CA 3.29Å; N705-N717 WeakPolarHBondContact CA-OD1 3.24Å; N705-N717 PolarHBondContact ND2-OD1 2.82Å; N717-F739 CarbonylContact O-C 3.54Å; N717-F739 WeakPolarHBondContact O-CA 3.44Å; N717-G740 PolarHBondContact N-O 2.9Å; N717-G740 PolarHBondContact O-N 3.36Å; N717-V913 HydrophobicContact CB-CG2 4.27Å; N717-L916 HydrophobicContact CB-CD2 4.42Å; N717-L916 WeakPolarHBondContact CB-O 3.45Å; N717-L916 PolarHBondContact ND2-O 2.74Å; N717-L916 WeakPolarHBondContact O-CD2 3.17Å; N717-T918 PolarHBondContact ND2-O 3.31Å
718	G	93.1	Very high	83	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	180	0	0	0	0	0	112.7	I703 F704 F736 R738 F739	I703-G718 CarbonylContact C-O 3.38Å; I703-G718 WeakPolarHBondContact CA-O 3.3Å; F704-G718 PolarHBondContact N-O 2.79Å; F704-G718 PolarHBondContact O-N 2.91Å; G718-F736 WeakPolarHBondContact O-CE1 3.47Å; G718-R738 CarbonylContact C-O 3.53Å; G718-R738 WeakPolarHBondContact CA-O 3.38Å; G718-F739 VanDerWaalsContact CA-CD1 3.45Å
719	Q	92.9	Very high	81.3	Confident	33 Å²	33	44.5 Å²	44.5	15%	0.154	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.6	174.6	-172.2	173.3	39.4	0	0	111	G701 T702 I703 F736 W737 R738 L916	G701-Q719 PolarHBondContact O-NE2 2.69Å; T702-Q719 WeakPolarHBondContact O-CA 3.3Å; I703-Q719 HydrophobicContact CG1-CB 4.04Å; I703-Q719 HydrophobicContact CG1-CG 3.91Å; Q719-F736 WeakPolarHBondContact O-CA 3.41Å; Q719-W737 PolarHBondContact O-N 3.02Å; Q719-R738 HydrophobicContact CB-CB 4.24Å; Q719-R738 PolarHBondContact N-O 3.23Å; Q719-L916 HydrophobicContact CB-CD2 4.04Å
720	I	89.3	Confident	79.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	151.6	177.6	60.3	160.9	0	0	0	113.1	N698 A699 G701 T702 F704 T734 Y735 F736	N698-I720 HydrophobicContact CB-CD1 4.03Å; N698-I720 WeakPolarHBondContact O-CD1 3.14Å; A699-I720 WeakPolarHBondContact O-CD1 3.47Å; G701-I720 WeakPolarHBondContact CA-O 3.44Å; G701-I720 PolarHBondContact N-O 2.81Å; T702-I720 WeakPolarHBondContact O-CG1 3.38Å; T702-I720 PolarHBondContact O-N 3.08Å; F704-I720 HydrophobicContact CD2-CG2 4.15Å; F704-I720 HydrophobicContact CE2-CD1 4.01Å; F704-I720 HydrophobicContact CE2-CG1 4.28Å; F704-I720 HydrophobicContact CE2-CG2 4.19Å; I720-T734 HydrophobicContact CD1-CG2 4.27Å; I720-Y735 CarbonylContact C-O 3.48Å; I720-Y735 WeakPolarHBondContact CA-O 3.5Å; I720-F736 HydrophobicContact CG2-CD1 3.72Å; I720-F736 HydrophobicContact CG2-CE1 3.56Å; I720-F736 HydrophobicContact CG2-CE2 4.46Å; I720-F736 HydrophobicContact CG2-CG 4.25Å; I720-F736 HydrophobicContact CG2-CZ 3.96Å
721	I	86.5	Confident	78.1	Confident	28 Å²	28	51.7 Å²	51.7	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.8	172.7	-163.5	165.6	0	0	0	109.6	T734 Y735 W737	I721-T734 CarbonylContact O-C 3.53Å; I721-T734 VanDerWaalsContact O-CA 3.25Å; I721-T734 WeakPolarHBondContact O-CA 3.5Å; I721-Y735 PolarHBondContact N-O 3.32Å; I721-Y735 PolarHBondContact O-N 2.8Å; I721-W737 HydrophobicContact CB-CB 4.31Å; I721-W737 VanDerWaalsContact CB-CD1 3.45Å; I721-W737 HydrophobicContact CB-CD2 4.49Å; I721-W737 HydrophobicContact CB-CG 3.84Å; I721-W737 HydrophobicContact CD1-CD2 4.19Å; I721-W737 HydrophobicContact CD1-CG 4.3Å; I721-W737 HydrophobicContact CG2-CB 3.7Å; I721-W737 HydrophobicContact CG2-CG 3.79Å
722	G	79.6	Confident	77.1	Confident	6 Å²	6	48.3 Å²	48.3	6%	0.062	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	167.7	174.2	0	0	0	0	0	113.5	N733 R816	G722-N733 WeakPolarHBondContact CA-O 3.45Å; G722-R816 WeakPolarHBondContact O-CD 3.24Å; G722-R816 PolarHBondContact O-NE 2.88Å
723	D	73.6	Confident	76.3	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.091	27%	0.266	C	S	.	.			trans	-55.3	161.1	172.7	-86	-29.7	0	0	0	114.1	K725 N733 Y735 H815	D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 3.01Å; D723-N733 PolarHBondContact N-O 3.24Å; D723-Y735 VanDerWaalsContact OD1-CE2 3.24Å; D723-Y735 WeakPolarHBondContact OD1-CE2 3.35Å; D723-Y735 PolarHBondContact OD1-OH 2.99Å; D723-H815 WeakPolarHBondContact OD1-CA 3.38Å; D723-H815 IonicContact OD1-CG 3.34Å; D723-H815 IonicContact OD1-ND1 3.92Å; D723-H815 PolarHBondContact OD1-ND1 2.96Å; D723-H815 IonicContact OD2-CE1 3.91Å; D723-H815 IonicContact OD2-ND1 3.12Å; D723-H815 PolarHBondContact OD2-ND1 3.09Å
724	K	70.4	Confident	75.7	Confident	95 Å²	95	49.2 Å²	49.2	41%	0.413	27%	0.266	S	S	.	.	S	Bend	trans	-67.2	-26.8	179.8	-65.2	177.1	-176	156.7	0	113.4	H812 Y814 H815 R816	K724-H812 PolarHBondContact NZ-O 2.87Å; K724-Y814 WeakPolarHBondContact CB-O 3.29Å; K724-Y814 PolarHBondContact N-O 3.27Å; K724-H815 WeakPolarHBondContact CE-O 3.47Å; K724-H815 PolarHBondContact NZ-O 2.84Å; K724-H815 VanDerWaalsContact NZ-O 3.09Å; K724-R816 HydrophobicContact CD-CG 4.32Å; K724-R816 HydrophobicContact CG-CG 3.55Å
725	K	65.1	Low	75.3	Confident	128 Å²	128	49.6 Å²	49.6	56%	0.557	27%	0.267	S	S	*	.	S	Bend	trans	-139	139.7	179.7	-70	-175.3	178.9	-177.4	0	109.1	D723 P727 Y814	D723-K725 VanDerWaalsContact C-N 3.29Å; D723-K725 PolarHBondContact O-N 3.01Å; K725-P727 WeakPolarHBondContact O-CD 3.15Å; K725-Y814 HydrophobicContact CB-CD1 4.05Å; K725-Y814 HydrophobicContact CB-CE1 4.31Å; K725-Y814 HydrophobicContact CD-CE1 4.47Å
726	I	62.8	Low	75.1	Confident	120 Å²	120	49.9 Å²	49.9	62%	0.615	27%	0.268	S	S	*	.			trans	-74.8	120.3	172.8	-56.3	171.3	0	0	0	107.1	I732	I726-I732 HydrophobicContact CD1-CD1 4.09Å; I726-I732 HydrophobicContact CG1-CD1 3.92Å; I726-I732 HydrophobicContact CG1-CG1 4.09Å; I726-I732 HydrophobicContact CG2-CD1 4.5Å; I726-I732 HydrophobicContact CG2-CG1 4.07Å
727	P	60	Low	74.8	Confident	29 Å²	29	52.3 Å²	52.3	19%	0.188	28%	0.277	C	S	.	.			trans	-65.5	159.6	176	-9.3	22.9	0	0	0	111.4	K725 D729 G730 K731	K725-P727 WeakPolarHBondContact O-CD 3.15Å; P727-D729 WeakPolarHBondContact CB-OD1 3.45Å; P727-D729 PolarHBondContact O-N 3.19Å; P727-D729 VanDerWaalsContact O-N 3.08Å; P727-G730 PolarHBondContact O-N 2.8Å; P727-G730 VanDerWaalsContact O-N 3.1Å; P727-K731 VanDerWaalsContact CD-O 3.24Å; P727-K731 WeakPolarHBondContact CD-O 3.18Å; P727-K731 WeakPolarHBondContact CG-O 3.17Å
728	P	50.2	Low	74.7	Confident	141 Å²	141	55.9 Å²	55.9	92%	0.916	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.1	-176.3	-21	31.8	0	0	0	114.8	G730	P728-G730 VanDerWaalsContact C-N 3.27Å
729	D	56.8	Low	74.8	Confident	111 Å²	111	55.9 Å²	55.9	59%	0.594	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-6	179.1	64.9	4.2	0	0	0	113.7	P727 K731	P727-D729 WeakPolarHBondContact CB-OD1 3.45Å; P727-D729 PolarHBondContact O-N 3.19Å; P727-D729 VanDerWaalsContact O-N 3.08Å; D729-K731 PolarHBondContact O-N 3.12Å; D729-K731 PolarHBondContact OD1-N 3.1Å
730	G	56.8	Low	74.9	Confident	55 Å²	55	54.3 Å²	54.3	57%	0.567	28%	0.284	S	S	*	.			trans	74.7	2.1	178.8	0	0	0	0	0	115.3	P727 P728	P727-G730 PolarHBondContact O-N 2.8Å; P727-G730 VanDerWaalsContact O-N 3.1Å; P728-G730 VanDerWaalsContact C-N 3.27Å
731	K	60.1	Low	75.1	Confident	153 Å²	153	54.3 Å²	54.3	67%	0.665	28%	0.284	S	S	*	.			trans	-90.7	123.4	176.2	-74.4	-174.6	178.7	-178.5	0	110	P727 D729	P727-K731 VanDerWaalsContact CD-O 3.24Å; P727-K731 WeakPolarHBondContact CD-O 3.18Å; P727-K731 WeakPolarHBondContact CG-O 3.17Å; D729-K731 PolarHBondContact O-N 3.12Å; D729-K731 PolarHBondContact OD1-N 3.1Å
732	I	66.5	Low	75.4	Confident	67 Å²	67	53.9 Å²	53.9	34%	0.344	28%	0.282	S	S	.	.			trans	-100.3	113.6	178.5	-59.2	175	0	0	0	107.8	I726 T734	I726-I732 HydrophobicContact CD1-CD1 4.09Å; I726-I732 HydrophobicContact CG1-CD1 3.92Å; I726-I732 HydrophobicContact CG1-CG1 4.09Å; I726-I732 HydrophobicContact CG2-CD1 4.5Å; I726-I732 HydrophobicContact CG2-CG1 4.07Å; I732-T734 HydrophobicContact CG2-CG2 4.47Å
733	N	71.3	Confident	76	Confident	43 Å²	43	54 Å²	54	23%	0.23	28%	0.281	C	S	.	.			trans	-70.8	139.3	171.6	-61.8	-4.2	0	0	0	109.6	G677 D678 G722 D723 Y735	G677-N733 PolarHBondContact O-ND2 3.41Å; D678-N733 VanDerWaalsContact OD1-CA 3.23Å; D678-N733 WeakPolarHBondContact OD1-CA 3.32Å; D678-N733 WeakPolarHBondContact OD1-CB 3.27Å; G722-N733 WeakPolarHBondContact CA-O 3.45Å; D723-N733 PolarHBondContact N-O 3.24Å; N733-Y735 HydrophobicContact CB-CE2 4.14Å; N733-Y735 WeakPolarHBondContact CB-OH 3.43Å
734	T	78.3	Confident	76.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.1	-178.1	63.7	0	0	0	0	112	D678 P679 I720 I721 I732	D678-T734 PolarHBondContact OD1-N 3.08Å; P679-T734 WeakPolarHBondContact CD-O 3.16Å; P679-T734 WeakPolarHBondContact CG-O 3.39Å; I720-T734 HydrophobicContact CD1-CG2 4.27Å; I721-T734 CarbonylContact O-C 3.53Å; I721-T734 VanDerWaalsContact O-CA 3.25Å; I721-T734 WeakPolarHBondContact O-CA 3.5Å; I732-T734 HydrophobicContact CG2-CG2 4.47Å
735	Y	83.6	Confident	77.3	Confident	7 Å²	7	58.3 Å²	58.3	3%	0.027	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.5	-178	-43.2	-96.2	0	0	0	110.5	I720 I721 D723 N733 H815 Y818	I720-Y735 CarbonylContact C-O 3.48Å; I720-Y735 WeakPolarHBondContact CA-O 3.5Å; I721-Y735 PolarHBondContact N-O 3.32Å; I721-Y735 PolarHBondContact O-N 2.8Å; D723-Y735 VanDerWaalsContact OD1-CE2 3.24Å; D723-Y735 WeakPolarHBondContact OD1-CE2 3.35Å; D723-Y735 PolarHBondContact OD1-OH 2.99Å; N733-Y735 HydrophobicContact CB-CE2 4.14Å; N733-Y735 WeakPolarHBondContact CB-OH 3.43Å; Y735-H815 PolarHBondContact OH-ND1 2.67Å; Y735-H815 VanDerWaalsContact OH-ND1 3.13Å; Y735-Y818 AromaticContact CD1-CD1 3.87Å; Y735-Y818 HydrophobicContact CD1-CD1 3.87Å; Y735-Y818 HydrophobicContact CD1-CD2 4.18Å; Y735-Y818 HydrophobicContact CD1-CE1 4.19Å; Y735-Y818 HydrophobicContact CD1-CE2 4.48Å; Y735-Y818 AromaticContact CD1-CG 3.88Å; Y735-Y818 HydrophobicContact CD1-CG 3.88Å; Y735-Y818 HydrophobicContact CE1-CD1 4.4Å; Y735-Y818 HydrophobicContact CE1-CE1 4.41Å; Y735-Y818 HydrophobicContact CG-CD1 4.25Å; Y735-Y818 HydrophobicContact CG-CG 4.06Å
736	F	89	Confident	78.3	Confident	11 Å²	11	53.8 Å²	53.8	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	134.9	168.7	-70.2	-74.6	0	0	0	110.3	P679 F681 F704 L706 G718 Q719 I720 F739 Y818 L819	P679-F736 HydrophobicContact CB-CD2 3.96Å; P679-F736 HydrophobicContact CB-CE2 3.85Å; F681-F736 HydrophobicContact CE1-CE2 4.06Å; F681-F736 AromaticContact CZ-CE2 3.67Å; F681-F736 HydrophobicContact CZ-CE2 3.67Å; F681-F736 AromaticContact CZ-CZ 3.89Å; F681-F736 HydrophobicContact CZ-CZ 3.89Å; F704-F736 HydrophobicContact CB-CE1 4.47Å; F704-F736 HydrophobicContact CD2-CE1 4.23Å; F704-F736 HydrophobicContact CD2-CZ 4.29Å; L706-F736 HydrophobicContact CD2-CE1 4.45Å; L706-F736 HydrophobicContact CD2-CZ 3.97Å; G718-F736 WeakPolarHBondContact O-CE1 3.47Å; Q719-F736 WeakPolarHBondContact O-CA 3.41Å; I720-F736 HydrophobicContact CG2-CD1 3.72Å; I720-F736 HydrophobicContact CG2-CE1 3.56Å; I720-F736 HydrophobicContact CG2-CE2 4.46Å; I720-F736 HydrophobicContact CG2-CG 4.25Å; I720-F736 HydrophobicContact CG2-CZ 3.96Å; F736-F739 HydrophobicContact CB-CE1 3.81Å; F736-F739 HydrophobicContact CB-CE2 4.12Å; F736-F739 HydrophobicContact CB-CZ 3.35Å; F736-F739 AromaticContact CD1-CE1 3.77Å; F736-F739 HydrophobicContact CD1-CE1 3.77Å; F736-F739 HydrophobicContact CD1-CZ 4.19Å; F736-F739 HydrophobicContact CD2-CE1 4.35Å; F736-F739 HydrophobicContact CD2-CZ 4.19Å; F736-F739 HydrophobicContact CE1-CE1 4.45Å; F736-F739 AromaticContact CG-CE1 3.71Å; F736-F739 HydrophobicContact CG-CE1 3.71Å; F736-F739 AromaticContact CG-CZ 3.66Å; F736-F739 HydrophobicContact CG-CZ 3.66Å; F736-Y818 CarbonylContact O-C 3.53Å; F736-Y818 WeakPolarHBondContact O-CA 3.24Å; F736-Y818 WeakPolarHBondContact O-CB 3.49Å; F736-L819 PolarHBondContact O-N 2.73Å
737	W	88.7	Confident	79.5	Confident	50 Å²	50	49.9 Å²	49.9	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	-9.5	177.4	75.8	-69	0	0	0	112.9	Q719 I721 T753 T754 L819	Q719-W737 PolarHBondContact O-N 3.02Å; I721-W737 HydrophobicContact CB-CB 4.31Å; I721-W737 VanDerWaalsContact CB-CD1 3.45Å; I721-W737 HydrophobicContact CB-CD2 4.49Å; I721-W737 HydrophobicContact CB-CG 3.84Å; I721-W737 HydrophobicContact CD1-CD2 4.19Å; I721-W737 HydrophobicContact CD1-CG 4.3Å; I721-W737 HydrophobicContact CG2-CB 3.7Å; I721-W737 HydrophobicContact CG2-CG 3.79Å; W737-T753 WeakPolarHBondContact O-CA 3.45Å; W737-T754 HydrophobicContact CB-CG2 4.12Å; W737-T754 PolarHBondContact O-N 2.84Å; W737-L819 WeakPolarHBondContact O-CD1 3.41Å
738	R	93.5	Very high	80.9	Confident	77 Å²	77	48.6 Å²	48.6	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.3	171.6	-61.2	-177.5	170	171.9	-3.1	111.4	G718 Q719 V752 T753 L916	G718-R738 CarbonylContact C-O 3.53Å; G718-R738 WeakPolarHBondContact CA-O 3.38Å; Q719-R738 HydrophobicContact CB-CB 4.24Å; Q719-R738 PolarHBondContact N-O 3.23Å; R738-V752 CarbonylContact C-O 3.6Å; R738-V752 WeakPolarHBondContact CA-O 3.46Å; R738-T753 HydrophobicContact CG-CG2 3.91Å; R738-L916 HydrophobicContact CB-CD1 3.85Å
739	F	95.5	Very high	82.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.6	168	-64.2	-67	0	0	0	110.6	L706 N717 G718 F736 V752 I803 L819 F821	L706-F739 HydrophobicContact CD1-CD1 4.01Å; L706-F739 HydrophobicContact CD1-CE1 3.56Å; N717-F739 CarbonylContact O-C 3.54Å; N717-F739 WeakPolarHBondContact O-CA 3.44Å; G718-F739 VanDerWaalsContact CA-CD1 3.45Å; F736-F739 HydrophobicContact CB-CE1 3.81Å; F736-F739 HydrophobicContact CB-CE2 4.12Å; F736-F739 HydrophobicContact CB-CZ 3.35Å; F736-F739 AromaticContact CD1-CE1 3.77Å; F736-F739 HydrophobicContact CD1-CE1 3.77Å; F736-F739 HydrophobicContact CD1-CZ 4.19Å; F736-F739 HydrophobicContact CD2-CE1 4.35Å; F736-F739 HydrophobicContact CD2-CZ 4.19Å; F736-F739 HydrophobicContact CE1-CE1 4.45Å; F736-F739 AromaticContact CG-CE1 3.71Å; F736-F739 HydrophobicContact CG-CE1 3.71Å; F736-F739 AromaticContact CG-CZ 3.66Å; F736-F739 HydrophobicContact CG-CZ 3.66Å; F739-V752 HydrophobicContact CB-CB 4.34Å; F739-V752 PolarHBondContact N-O 3.01Å; F739-V752 PolarHBondContact O-N 3.06Å; F739-I803 HydrophobicContact CB-CD1 4.32Å; F739-I803 HydrophobicContact CD2-CD1 4.08Å; F739-I803 HydrophobicContact CD2-CG1 4.22Å; F739-I803 HydrophobicContact CD2-CG2 4.02Å; F739-I803 HydrophobicContact CE2-CG2 4.19Å; F739-I803 HydrophobicContact CG-CD1 4.49Å; F739-L819 HydrophobicContact CD2-CB 4.03Å; F739-L819 HydrophobicContact CD2-CD1 3.84Å; F739-L819 HydrophobicContact CE2-CB 3.45Å; F739-L819 VanDerWaalsContact CE2-CB 3.45Å; F739-L819 HydrophobicContact CE2-CD1 4.13Å; F739-L819 HydrophobicContact CE2-CG 4.45Å; F739-L819 HydrophobicContact CZ-CB 4.39Å; F739-F821 HydrophobicContact CE1-CB 3.88Å; F739-F821 HydrophobicContact CE1-CG 4.45Å; F739-F821 HydrophobicContact CE2-CB 3.8Å; F739-F821 HydrophobicContact CZ-CB 3.46Å; F739-F821 VanDerWaalsContact CZ-CB 3.46Å; F739-F821 HydrophobicContact CZ-CG 4.43Å
740	G	94.6	Very high	84.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	120	165.3	0	0	0	0	0	108.5	V716 N717 L750	V716-G740 WeakPolarHBondContact CA-O 3.22Å; N717-G740 PolarHBondContact N-O 2.9Å; N717-G740 PolarHBondContact O-N 3.36Å; G740-L750 WeakPolarHBondContact CA-O 3.48Å
741	I	94.6	Very high	86.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128	174.9	-59.2	173.8	0	0	0	107.7	F715 V716 S749 L750 L795 F801 I803 F821	F715-I741 CarbonylContact O-C 3.55Å; F715-I741 WeakPolarHBondContact O-CA 3.35Å; V716-I741 HydrophobicContact CG1-CG1 4.08Å; V716-I741 HydrophobicContact CG2-CG1 4.15Å; V716-I741 HydrophobicContact CG2-CG2 4.26Å; I741-S749 CarbonylContact O-C 3.54Å; I741-S749 WeakPolarHBondContact O-CA 3.35Å; I741-L750 HydrophobicContact CB-CB 4.3Å; I741-L750 HydrophobicContact CB-CD1 4.43Å; I741-L750 HydrophobicContact CG2-CD1 4.47Å; I741-L750 PolarHBondContact N-O 2.84Å; I741-L750 PolarHBondContact O-N 3.21Å; I741-L795 HydrophobicContact CG2-CD1 4.45Å; I741-F801 HydrophobicContact CD1-CD2 4.23Å; I741-F801 HydrophobicContact CG2-CD2 4.29Å; I741-F801 HydrophobicContact CG2-CE2 4.02Å; I741-I803 HydrophobicContact CD1-CD1 3.78Å; I741-F821 HydrophobicContact CD1-CE2 4.33Å
742	V	92.4	Very high	88.2	Confident	18 Å²	18	30.2 Å²	30.2	11%	0.109	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.2	179.6	-177.3	0	0	0	0	109.5	V714 F715 Q744 V748 F917 T919	V714-V742 WeakPolarHBondContact CA-O 3.36Å; F715-V742 HydrophobicContact CB-CB 4.39Å; F715-V742 PolarHBondContact N-O 2.86Å; F715-V742 PolarHBondContact O-N 2.91Å; V742-Q744 HydrophobicContact CG1-CG 4.37Å; V742-V748 WeakPolarHBondContact CA-O 3.22Å; V742-F917 HydrophobicContact CG2-CB 4.41Å; V742-F917 HydrophobicContact CG2-CD1 3.57Å; V742-F917 HydrophobicContact CG2-CE1 4.37Å; V742-F917 HydrophobicContact CG2-CG 4.48Å; V742-T919 HydrophobicContact CB-CG2 4.31Å; V742-T919 HydrophobicContact CG1-CG2 3.99Å
743	H	91.9	Very high	89.4	Confident	8 Å²	8	27.2 Å²	27.2	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104.2	164.5	-160.5	-47.2	0	0	0	108.6	A712 G713 T745 L746 G747 V748 L795 S798	A712-H743 PolarHBondContact O-CE1 2.82Å; A712-H743 PolarHBondContact O-NE2 3.47Å; G713-H743 CarbonylContact O-C 3.35Å; G713-H743 VanDerWaalsContact O-CA 3.27Å; G713-H743 WeakPolarHBondContact O-CA 3.46Å; H743-T745 PolarHBondContact CE1-OG1 2.82Å; H743-T745 PolarHBondContact ND1-OG1 3.03Å; H743-T745 VanDerWaalsContact ND1-OG1 3.08Å; H743-T745 PolarHBondContact O-N 2.73Å; H743-L746 HydrophobicContact CB-CB 4.14Å; H743-L746 HydrophobicContact CB-CD1 4.49Å; H743-L746 PolarHBondContact O-N 2.96Å; H743-G747 PolarHBondContact O-N 3.43Å; H743-G747 VanDerWaalsContact O-N 3.14Å; H743-V748 HydrophobicContact CB-CB 4.31Å; H743-V748 PolarHBondContact N-O 2.96Å; H743-V748 PolarHBondContact O-N 3.38Å; H743-L795 HydrophobicContact CB-CD1 4.36Å; H743-L795 HydrophobicContact CB-CD2 4.19Å; H743-S798 PolarHBondContact NE2-OG 3.17Å
744	Q	86.5	Confident	90.3	Very high	93 Å²	93	26.1 Å²	26.1	44%	0.435	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-47.9	-170.6	-77.8	-175.6	-24.1	0	0	112.7	G713 F715 V742 G747 T919	G713-Q744 PolarHBondContact O-N 3.12Å; F715-Q744 HydrophobicContact CD2-CG 4.04Å; F715-Q744 HydrophobicContact CE2-CG 3.72Å; V742-Q744 HydrophobicContact CG1-CG 4.37Å; Q744-G747 PolarHBondContact O-N 3.42Å; Q744-T919 HydrophobicContact CG-CG2 4.25Å; Q744-T919 PolarHBondContact NE2-OG1 3.07Å
745	T	84.6	Confident	90.7	Very high	110 Å²	110	32.9 Å²	32.9	68%	0.675	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.3	-176.7	52	0	0	0	0	113.3	H743	H743-T745 PolarHBondContact CE1-OG1 2.82Å; H743-T745 PolarHBondContact ND1-OG1 3.03Å; H743-T745 VanDerWaalsContact ND1-OG1 3.08Å; H743-T745 PolarHBondContact O-N 2.73Å
746	L	87	Confident	91	Very high	34 Å²	34	35.3 Å²	35.3	18%	0.178	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.9	178.4	-65.3	-177.7	0	0	0	113.5	H743 V748 N780 K796	H743-L746 HydrophobicContact CB-CB 4.14Å; H743-L746 HydrophobicContact CB-CD1 4.49Å; H743-L746 PolarHBondContact O-N 2.96Å; L746-V748 VanDerWaalsContact C-N 3.26Å; L746-V748 HydrophobicContact CB-CG2 4.03Å; L746-V748 PolarHBondContact O-N 3.31Å; L746-N780 HydrophobicContact CB-CB 4.15Å; L746-N780 HydrophobicContact CD1-CB 4.31Å; L746-N780 HydrophobicContact CD2-CB 4.27Å; L746-N780 HydrophobicContact CG-CB 4.48Å; L746-N780 PolarHBondContact O-ND2 2.88Å; L746-K796 HydrophobicContact CD1-CB 4.46Å
747	G	86.6	Confident	91.2	Very high	38 Å²	38	34.8 Å²	34.8	39%	0.392	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	26.4	-178.4	0	0	0	0	0	113.8	H743 Q744	H743-G747 PolarHBondContact O-N 3.43Å; H743-G747 VanDerWaalsContact O-N 3.14Å; Q744-G747 PolarHBondContact O-N 3.42Å
748	V	91.1	Very high	91.3	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.1	-174.5	173.5	0	0	0	0	110.1	V742 H743 L746 L750 Q761 N780 V781 L795	V742-V748 WeakPolarHBondContact CA-O 3.22Å; H743-V748 HydrophobicContact CB-CB 4.31Å; H743-V748 PolarHBondContact N-O 2.96Å; H743-V748 PolarHBondContact O-N 3.38Å; L746-V748 VanDerWaalsContact C-N 3.26Å; L746-V748 HydrophobicContact CB-CG2 4.03Å; L746-V748 PolarHBondContact O-N 3.31Å; V748-L750 HydrophobicContact CG1-CD1 3.45Å; V748-L750 VanDerWaalsContact CG1-CD1 3.45Å; V748-Q761 HydrophobicContact CG2-CB 4.39Å; V748-Q761 HydrophobicContact CG2-CG 3.94Å; V748-N780 HydrophobicContact CG2-CB 4.07Å; V748-V781 HydrophobicContact CG1-CB 3.96Å; V748-V781 HydrophobicContact CG1-CG1 3.9Å; V748-V781 HydrophobicContact CG1-CG2 4.14Å; V748-V781 HydrophobicContact CG2-CB 4.1Å; V748-V781 HydrophobicContact CG2-CG1 4.02Å; V748-L795 HydrophobicContact CB-CD2 4.4Å; V748-L795 HydrophobicContact CG1-CD2 3.96Å
749	S	92.1	Very high	91.2	Very high	39 Å²	39	30.4 Å²	30.4	27%	0.273	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	135.5	170	64.1	0	0	0	0	112	I741 S760	I741-S749 CarbonylContact O-C 3.54Å; I741-S749 WeakPolarHBondContact O-CA 3.35Å; S749-S760 PolarHBondContact N-O 3.47Å; S749-S760 PolarHBondContact O-N 3.2Å; S749-S760 WeakPolarHBondContact OG-CB 3.4Å
750	L	94.1	Very high	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.5	179.5	-63.6	85.9	0	0	0	110.4	G740 I741 V748 S758 V759 V783 V793 F917	G740-L750 WeakPolarHBondContact CA-O 3.48Å; I741-L750 HydrophobicContact CB-CB 4.3Å; I741-L750 HydrophobicContact CB-CD1 4.43Å; I741-L750 HydrophobicContact CG2-CD1 4.47Å; I741-L750 PolarHBondContact N-O 2.84Å; I741-L750 PolarHBondContact O-N 3.21Å; V748-L750 HydrophobicContact CG1-CD1 3.45Å; V748-L750 VanDerWaalsContact CG1-CD1 3.45Å; L750-S758 CarbonylContact C-O 3.55Å; L750-S758 VanDerWaalsContact CA-O 3.28Å; L750-S758 WeakPolarHBondContact CA-O 3.41Å; L750-V759 HydrophobicContact CD2-CG2 4.01Å; L750-V759 HydrophobicContact CG-CG1 4.22Å; L750-V759 HydrophobicContact CG-CG2 4.21Å; L750-V783 HydrophobicContact CD2-CG2 3.9Å; L750-V793 HydrophobicContact CD1-CG1 4.3Å; L750-V793 HydrophobicContact CD2-CB 4.45Å; L750-V793 HydrophobicContact CD2-CG1 3.76Å; L750-V793 HydrophobicContact CD2-CG2 3.77Å; L750-F917 WeakPolarHBondContact O-CE1 3.03Å
751	L	94.2	Very high	90.4	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.183	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	112.1	164.4	-174.8	60.5	0	0	0	109	T753 Y756 I757 S758 L916 F917	L751-T753 HydrophobicContact CD1-CG2 4.4Å; L751-T753 HydrophobicContact CD2-CG2 4.26Å; L751-T753 HydrophobicContact CG-CG2 3.95Å; L751-Y756 HydrophobicContact CD2-CE2 4.39Å; L751-I757 CarbonylContact O-C 3.44Å; L751-I757 WeakPolarHBondContact O-CA 3.38Å; L751-S758 PolarHBondContact N-O 2.72Å; L751-S758 PolarHBondContact O-N 3.13Å; L751-L916 HydrophobicContact CD1-CD1 3.76Å; L751-F917 HydrophobicContact CB-CZ 3.97Å; L751-F917 HydrophobicContact CD1-CE2 4.48Å; L751-F917 HydrophobicContact CD1-CZ 4.19Å
752	V	95.2	Very high	89.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.6	175.6	-168.4	0	0	0	0	108.2	R738 F739 I757 W770 L791 I803 L819	R738-V752 CarbonylContact C-O 3.6Å; R738-V752 WeakPolarHBondContact CA-O 3.46Å; F739-V752 HydrophobicContact CB-CB 4.34Å; F739-V752 PolarHBondContact N-O 3.01Å; F739-V752 PolarHBondContact O-N 3.06Å; V752-I757 HydrophobicContact CG1-CG1 4.24Å; V752-I757 HydrophobicContact CG2-CG2 4.27Å; V752-W770 HydrophobicContact CG1-CH2 4.48Å; V752-W770 HydrophobicContact CG1-CZ2 3.72Å; V752-L791 HydrophobicContact CB-CD2 4.2Å; V752-L791 HydrophobicContact CG1-CD2 3.6Å; V752-L791 HydrophobicContact CG2-CD2 3.48Å; V752-L791 VanDerWaalsContact CG2-CD2 3.48Å; V752-I803 HydrophobicContact CB-CD1 4.08Å; V752-I803 HydrophobicContact CG1-CD1 4.12Å; V752-I803 HydrophobicContact CG1-CG2 4.01Å; V752-I803 HydrophobicContact CG2-CD1 3.69Å; V752-L819 HydrophobicContact CG1-CD1 4.06Å
753	T	93.6	Very high	87.9	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	166.7	175.9	74.3	0	0	0	0	109.4	W737 R738 L751 Q755 Y756 W770	W737-T753 WeakPolarHBondContact O-CA 3.45Å; R738-T753 HydrophobicContact CG-CG2 3.91Å; L751-T753 HydrophobicContact CD1-CG2 4.4Å; L751-T753 HydrophobicContact CD2-CG2 4.26Å; L751-T753 HydrophobicContact CG-CG2 3.95Å; T753-Q755 PolarHBondContact O-N 2.83Å; T753-Q755 PolarHBondContact OG1-N 2.78Å; T753-Y756 HydrophobicContact CG2-CE1 4.34Å; T753-Y756 HydrophobicContact CG2-CE2 4.49Å; T753-Y756 PolarHBondContact N-O 2.97Å; T753-Y756 PolarHBondContact OG1-N 3.44Å; T753-Y756 PolarHBondContact OG1-O 3.26Å; T753-W770 PolarHBondContact O-NE1 3.5Å
754	T	89	Confident	87.1	Confident	21 Å²	21	49.1 Å²	49.1	13%	0.129	28%	0.281	C	S	.	.	S	Bend	trans	-64.6	-9.8	174.5	54.7	0	0	0	0	114.8	W737 L805 D817 L819	W737-T754 HydrophobicContact CB-CG2 4.12Å; W737-T754 PolarHBondContact O-N 2.84Å; T754-L805 HydrophobicContact CG2-CD1 4.01Å; T754-D817 HydrophobicContact CG2-CB 4.17Å; T754-L819 HydrophobicContact CG2-CD2 4.04Å; T754-L819 HydrophobicContact CG2-CG 3.86Å
755	Q	86.2	Confident	86.9	Confident	143 Å²	143	50.5 Å²	50.5	67%	0.668	29%	0.291	S	S	*	.	S	Bend	trans	-109.1	-37.1	-176.6	-64.6	-179.9	3.4	0	0	113.2	T753	T753-Q755 PolarHBondContact O-N 2.83Å; T753-Q755 PolarHBondContact OG1-N 2.78Å
756	Y	89.7	Confident	87	Confident	59 Å²	59	46.6 Å²	46.6	23%	0.231	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	162.2	-177.5	67.8	-90.6	0	0	0	111.3	L751 T753 K767 L768	L751-Y756 HydrophobicContact CD2-CE2 4.39Å; T753-Y756 HydrophobicContact CG2-CE1 4.34Å; T753-Y756 HydrophobicContact CG2-CE2 4.49Å; T753-Y756 PolarHBondContact N-O 2.97Å; T753-Y756 PolarHBondContact OG1-N 3.44Å; T753-Y756 PolarHBondContact OG1-O 3.26Å; Y756-K767 HydrophobicContact CD2-CD 4.31Å; Y756-K767 VanDerWaalsContact CD2-CE 3.45Å; Y756-K767 HydrophobicContact CD2-CG 4.16Å; Y756-L768 WeakPolarHBondContact CA-O 3.23Å; Y756-L768 WeakPolarHBondContact CB-O 3.32Å
757	I	93.9	Very high	87.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	172.7	-50.7	85.8	0	0	0	107.4	L751 V752 V759 K767 L768 W770 V785 L791	L751-I757 CarbonylContact O-C 3.44Å; L751-I757 WeakPolarHBondContact O-CA 3.38Å; V752-I757 HydrophobicContact CG1-CG1 4.24Å; V752-I757 HydrophobicContact CG2-CG2 4.27Å; I757-V759 HydrophobicContact CG2-CG2 4.28Å; I757-K767 CarbonylContact O-C 3.57Å; I757-K767 WeakPolarHBondContact O-CA 3.48Å; I757-L768 HydrophobicContact CB-CB 4.25Å; I757-L768 HydrophobicContact CD1-CB 4.42Å; I757-L768 PolarHBondContact N-O 3.21Å; I757-L768 PolarHBondContact O-N 3.28Å; I757-W770 HydrophobicContact CD1-CD2 3.68Å; I757-W770 HydrophobicContact CD1-CE3 4.33Å; I757-W770 HydrophobicContact CD1-CG 3.91Å; I757-W770 HydrophobicContact CD1-CZ2 4.05Å; I757-W770 HydrophobicContact CG1-CZ2 4.05Å; I757-V785 HydrophobicContact CD1-CG1 4.3Å; I757-V785 HydrophobicContact CD1-CG2 4.03Å; I757-V785 HydrophobicContact CG1-CG2 4.47Å; I757-L791 HydrophobicContact CG1-CD1 4.35Å; I757-L791 HydrophobicContact CG1-CD2 4.01Å; I757-L791 HydrophobicContact CG2-CD1 4.33Å; I757-L791 HydrophobicContact CG2-CD2 3.94Å
758	S	91.6	Very high	87.1	Confident	32 Å²	32	51.3 Å²	51.3	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.6	172.5	-160.6	0	0	0	0	108.6	L750 L751 A766	L750-S758 CarbonylContact C-O 3.55Å; L750-S758 VanDerWaalsContact CA-O 3.28Å; L750-S758 WeakPolarHBondContact CA-O 3.41Å; L751-S758 PolarHBondContact N-O 2.72Å; L751-S758 PolarHBondContact O-N 3.13Å; S758-A766 CarbonylContact C-O 3.53Å; S758-A766 WeakPolarHBondContact CA-O 3.2Å
759	V	91.9	Very high	86.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	124.8	176.9	-174.2	0	0	0	0	107.2	L750 I757 D765 A766 L776 V781 V783	L750-V759 HydrophobicContact CD2-CG2 4.01Å; L750-V759 HydrophobicContact CG-CG1 4.22Å; L750-V759 HydrophobicContact CG-CG2 4.21Å; I757-V759 HydrophobicContact CG2-CG2 4.28Å; V759-D765 WeakPolarHBondContact O-CA 3.18Å; V759-A766 PolarHBondContact N-O 3.44Å; V759-A766 PolarHBondContact O-N 2.9Å; V759-L776 HydrophobicContact CG1-CD2 4.14Å; V759-V781 HydrophobicContact CG1-CG1 4.19Å; V759-V783 HydrophobicContact CG1-CG2 4.38Å; V759-V783 HydrophobicContact CG2-CB 4.48Å; V759-V783 HydrophobicContact CG2-CG1 4.37Å; V759-V783 HydrophobicContact CG2-CG2 3.96Å
760	S	88.1	Confident	86.5	Confident	27 Å²	27	53.3 Å²	53.3	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124	175.6	-169	0	0	0	0	109	S749 K764 D765	S749-S760 PolarHBondContact N-O 3.47Å; S749-S760 PolarHBondContact O-N 3.2Å; S749-S760 WeakPolarHBondContact OG-CB 3.4Å; S760-K764 WeakPolarHBondContact CA-O 3.38Å; S760-D765 WeakPolarHBondContact CB-OD1 3.43Å; S760-D765 PolarHBondContact OG-OD1 3.43Å
761	Q	83.4	Confident	85.9	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.3	175.3	-176.1	-174.2	-15.2	0	0	108.7	V748 G763 K764 N780	V748-Q761 HydrophobicContact CG2-CB 4.39Å; V748-Q761 HydrophobicContact CG2-CG 3.94Å; Q761-G763 PolarHBondContact O-N 3.45Å; Q761-G763 VanDerWaalsContact O-N 3.07Å; Q761-K764 PolarHBondContact N-O 2.86Å; Q761-K764 VanDerWaalsContact N-O 3.12Å; Q761-K764 PolarHBondContact O-N 3.46Å; Q761-N780 PolarHBondContact NE2-ND2 3.48Å; Q761-N780 VanDerWaalsContact NE2-ND2 3.2Å
762	D	69.8	Low	85	Confident	121 Å²	121	59.2 Å²	59.2	65%	0.647	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.8	175.4	-56.7	-44.6	0	0	0	114.2
763	G	65.5	Low	84.4	Confident	74 Å²	74	64.2 Å²	64.2	76%	0.763	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	7.1	179.7	0	0	0	0	0	115.6	Q761	Q761-G763 PolarHBondContact O-N 3.45Å; Q761-G763 VanDerWaalsContact O-N 3.07Å
764	K	74.6	Confident	83.6	Confident	173 Å²	173	65.3 Å²	65.3	75%	0.752	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.7	123.8	171.4	-66.6	179.5	-177.2	173.3	0	110	S760 Q761	S760-K764 WeakPolarHBondContact CA-O 3.38Å; Q761-K764 PolarHBondContact N-O 2.86Å; Q761-K764 VanDerWaalsContact N-O 3.12Å; Q761-K764 PolarHBondContact O-N 3.46Å
765	D	83.9	Confident	83.3	Confident	122 Å²	122	67.9 Å²	67.9	65%	0.652	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.3	178.6	-63.7	-25	0	0	0	110.8	V759 S760	V759-D765 WeakPolarHBondContact O-CA 3.18Å; S760-D765 WeakPolarHBondContact CB-OD1 3.43Å; S760-D765 PolarHBondContact OG-OD1 3.43Å
766	A	85.8	Confident	83.1	Confident	29 Å²	29	63.5 Å²	63.5	24%	0.24	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.3	171	0	0	0	0	0	109.6	S758 V759 L776	S758-A766 CarbonylContact C-O 3.53Å; S758-A766 WeakPolarHBondContact CA-O 3.2Å; V759-A766 PolarHBondContact N-O 3.44Å; V759-A766 PolarHBondContact O-N 2.9Å; A766-L776 HydrophobicContact CB-CD1 3.6Å
767	K	88.1	Confident	82.6	Confident	135 Å²	135	68.8 Å²	68.8	59%	0.587	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.5	178.7	-169.3	177	-177.6	177.4	0	110	Y756 I757	Y756-K767 HydrophobicContact CD2-CD 4.31Å; Y756-K767 VanDerWaalsContact CD2-CE 3.45Å; Y756-K767 HydrophobicContact CD2-CG 4.16Å; I757-K767 CarbonylContact O-C 3.57Å; I757-K767 WeakPolarHBondContact O-CA 3.48Å
768	L	88.1	Confident	81.8	Confident	35 Å²	35	69.8 Å²	69.8	18%	0.183	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.9	176.6	-53.4	171.1	0	0	0	109.5	Y756 I757 V783 V785	Y756-L768 WeakPolarHBondContact CA-O 3.23Å; Y756-L768 WeakPolarHBondContact CB-O 3.32Å; I757-L768 HydrophobicContact CB-CB 4.25Å; I757-L768 HydrophobicContact CD1-CB 4.42Å; I757-L768 PolarHBondContact N-O 3.21Å; I757-L768 PolarHBondContact O-N 3.28Å; L768-V783 HydrophobicContact CD1-CG1 4.11Å; L768-V785 HydrophobicContact CB-CG2 4.02Å; L768-V785 HydrophobicContact CD1-CG2 3.66Å; L768-V785 HydrophobicContact CG-CG2 4.46Å
769	L	86.5	Confident	81.1	Confident	77 Å²	77	72.8 Å²	72.8	40%	0.403	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	144	176.8	-64.5	174.7	0	0	0	109.4	T771 D772	L769-T771 PolarHBondContact O-N 3.17Å; L769-D772 PolarHBondContact O-N 3.31Å
770	W	83.6	Confident	80.7	Confident	6 Å²	6	74.3 Å²	74.3	2%	0.023	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.2	175	-68.5	103.3	0	0	0	113.2	V752 T753 I757 D772 V785 K787 D788 L791 I803 L805 L819	V752-W770 HydrophobicContact CG1-CH2 4.48Å; V752-W770 HydrophobicContact CG1-CZ2 3.72Å; T753-W770 PolarHBondContact O-NE1 3.5Å; I757-W770 HydrophobicContact CD1-CD2 3.68Å; I757-W770 HydrophobicContact CD1-CE3 4.33Å; I757-W770 HydrophobicContact CD1-CG 3.91Å; I757-W770 HydrophobicContact CD1-CZ2 4.05Å; I757-W770 HydrophobicContact CG1-CZ2 4.05Å; W770-D772 PolarHBondContact O-N 3.39Å; W770-V785 HydrophobicContact CE3-CG1 4.28Å; W770-K787 CarbonylContact O-C 3.6Å; W770-K787 WeakPolarHBondContact O-CA 2.79Å; W770-D788 PolarHBondContact O-N 3.29Å; W770-D788 VanDerWaalsContact O-OD1 3.12Å; W770-L791 HydrophobicContact CH2-CB 3.47Å; W770-L791 VanDerWaalsContact CH2-CB 3.47Å; W770-L791 HydrophobicContact CZ2-CB 4.33Å; W770-L791 HydrophobicContact CZ3-CB 3.89Å; W770-I803 HydrophobicContact CH2-CG2 4.38Å; W770-L805 HydrophobicContact CB-CD2 3.72Å; W770-L805 HydrophobicContact CD2-CB 4.11Å; W770-L805 HydrophobicContact CD2-CD2 3.68Å; W770-L805 HydrophobicContact CD2-CG 4.44Å; W770-L805 HydrophobicContact CE3-CB 3.89Å; W770-L805 HydrophobicContact CE3-CD2 4.03Å; W770-L805 HydrophobicContact CG-CD2 3.55Å; W770-L805 HydrophobicContact CH2-CB 4.05Å; W770-L805 HydrophobicContact CZ2-CB 4.28Å; W770-L805 HydrophobicContact CZ3-CB 3.85Å; W770-L819 HydrophobicContact CZ2-CD2 3.98Å
771	T	80.7	Confident	80.8	Confident	70 Å²	70	73.1 Å²	73.1	43%	0.429	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.7	179.8	49.6	0	0	0	0	114	L769 K787	L769-T771 PolarHBondContact O-N 3.17Å; T771-K787 WeakPolarHBondContact O-CD 3.46Å; T771-K787 WeakPolarHBondContact O-CE 3.27Å; T771-K787 VanDerWaalsContact O-CG 3.32Å; T771-K787 WeakPolarHBondContact O-CG 3.45Å
772	D	75.8	Confident	81	Confident	89 Å²	89	74.7 Å²	74.7	48%	0.476	43%	0.426	S	S	.	.	S	Bend	trans	-119.7	142.4	-173.9	-54	-36.5	0	0	0	109.4	L769 W770	L769-D772 PolarHBondContact O-N 3.31Å; W770-D772 PolarHBondContact O-N 3.39Å
773	T	82.1	Confident	82	Confident	106 Å²	106	68.9 Å²	68.9	65%	0.65	40%	0.395	S	S	*	.			trans	-85.7	125.2	165.6	-59.1	0	0	0	0	107.4	V785 K787	T773-V785 WeakPolarHBondContact CA-O 3.3Å; T773-K787 VanDerWaalsContact OG1-CB 3.31Å; T773-K787 WeakPolarHBondContact OG1-CB 3.44Å; T773-K787 PolarHBondContact OG1-N 3Å
774	G	77.4	Confident	83.2	Confident	26 Å²	26	68.3 Å²	68.3	27%	0.268	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.1	-176.1	0	0	0	0	0	111.9	V785	G774-V785 PolarHBondContact N-O 3.29Å; G774-V785 PolarHBondContact O-N 2.96Å
775	S	82.8	Confident	83.9	Confident	75 Å²	75	60.1 Å²	60.1	52%	0.524	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.5	169.3	63.1	0	0	0	0	109.8	V783	S775-V783 CarbonylContact C-O 3.5Å; S775-V783 VanDerWaalsContact CA-O 3.25Å; S775-V783 WeakPolarHBondContact CA-O 3.33Å
776	L	81.6	Confident	83.9	Confident	51 Å²	51	57.4 Å²	57.4	27%	0.267	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	104.9	168	-177	117.8	0	0	0	106.1	V759 A766 D782 V783	V759-L776 HydrophobicContact CG1-CD2 4.14Å; A766-L776 HydrophobicContact CB-CD1 3.6Å; L776-D782 WeakPolarHBondContact O-CA 3.31Å; L776-V783 HydrophobicContact CB-CB 4.37Å; L776-V783 PolarHBondContact N-O 3.48Å; L776-V783 PolarHBondContact O-N 3.27Å
777	K	80.4	Confident	83.6	Confident	170 Å²	170	61.6 Å²	61.6	74%	0.739	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	123	173.1	-69.4	-167.1	176.3	-170.9	0	109.8	D782	K777-D782 WeakPolarHBondContact CA-OD1 3.23Å
778	G	75.8	Confident	82.9	Confident	21 Å²	21	58.2 Å²	58.2	22%	0.216	33%	0.33	C	S	.	.			trans	-132.6	159.1	-175	0	0	0	0	0	111.1	N780 V781 D782	G778-N780 PolarHBondContact O-N 2.85Å; G778-V781 VanDerWaalsContact CA-O 3.28Å; G778-V781 WeakPolarHBondContact CA-O 3.17Å; G778-V781 PolarHBondContact N-O 3.38Å; G778-V781 VanDerWaalsContact N-O 3.08Å; G778-D782 PolarHBondContact N-OD1 3.18Å
779	P	76.8	Confident	82.5	Confident	95 Å²	95	57.3 Å²	57.3	62%	0.617	33%	0.328	S	S	*	.	S	Bend	trans	-66.4	-22.6	-178.9	26.4	-33.6	0	0	0	113.3	K796	P779-K796 WeakPolarHBondContact O-CD 3.48Å
780	N	84.9	Confident	82.5	Confident	35 Å²	35	54.8 Å²	54.8	19%	0.187	32%	0.317	C	S	.	.	S	Bend	trans	-120.4	-19.5	-178	-63.6	-14	0	0	0	113.6	L746 V748 Q761 G778 K796	L746-N780 HydrophobicContact CB-CB 4.15Å; L746-N780 HydrophobicContact CD1-CB 4.31Å; L746-N780 HydrophobicContact CD2-CB 4.27Å; L746-N780 HydrophobicContact CG-CB 4.48Å; L746-N780 PolarHBondContact O-ND2 2.88Å; V748-N780 HydrophobicContact CG2-CB 4.07Å; Q761-N780 PolarHBondContact NE2-ND2 3.48Å; Q761-N780 VanDerWaalsContact NE2-ND2 3.2Å; G778-N780 PolarHBondContact O-N 2.85Å; N780-K796 PolarHBondContact O-N 2.92Å
781	V	88.6	Confident	82.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.7	179.2	66	0	0	0	0	110.3	V748 V759 G778 V783 V793 T794 L795	V748-V781 HydrophobicContact CG1-CB 3.96Å; V748-V781 HydrophobicContact CG1-CG1 3.9Å; V748-V781 HydrophobicContact CG1-CG2 4.14Å; V748-V781 HydrophobicContact CG2-CB 4.1Å; V748-V781 HydrophobicContact CG2-CG1 4.02Å; V759-V781 HydrophobicContact CG1-CG1 4.19Å; G778-V781 VanDerWaalsContact CA-O 3.28Å; G778-V781 WeakPolarHBondContact CA-O 3.17Å; G778-V781 PolarHBondContact N-O 3.38Å; G778-V781 VanDerWaalsContact N-O 3.08Å; V781-V783 HydrophobicContact CG2-CG2 3.76Å; V781-V793 HydrophobicContact CG2-CG1 3.94Å; V781-T794 WeakPolarHBondContact CA-O 3.38Å; V781-L795 HydrophobicContact CB-CD2 4.08Å; V781-L795 HydrophobicContact CG2-CD2 3.74Å
782	D	88.7	Confident	83.3	Confident	57 Å²	57	52.6 Å²	52.6	31%	0.305	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.7	168.4	-75.1	-16.7	0	0	0	108.9	L776 K777 G778 T794	L776-D782 WeakPolarHBondContact O-CA 3.31Å; K777-D782 WeakPolarHBondContact CA-OD1 3.23Å; G778-D782 PolarHBondContact N-OD1 3.18Å; D782-T794 PolarHBondContact N-O 3.43Å; D782-T794 PolarHBondContact O-N 3.23Å
783	V	89.9	Confident	84	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.6	-179.3	-175	0	0	0	0	109	L750 V759 L768 S775 L776 V781 L791 T792	L750-V783 HydrophobicContact CD2-CG2 3.9Å; V759-V783 HydrophobicContact CG1-CG2 4.38Å; V759-V783 HydrophobicContact CG2-CB 4.48Å; V759-V783 HydrophobicContact CG2-CG1 4.37Å; V759-V783 HydrophobicContact CG2-CG2 3.96Å; L768-V783 HydrophobicContact CD1-CG1 4.11Å; S775-V783 CarbonylContact C-O 3.5Å; S775-V783 VanDerWaalsContact CA-O 3.25Å; S775-V783 WeakPolarHBondContact CA-O 3.33Å; L776-V783 HydrophobicContact CB-CB 4.37Å; L776-V783 PolarHBondContact N-O 3.48Å; L776-V783 PolarHBondContact O-N 3.27Å; V781-V783 HydrophobicContact CG2-CG2 3.76Å; V783-L791 HydrophobicContact CG1-CD1 3.26Å; V783-L791 HydrophobicContact CG1-CG 4.48Å; V783-T792 WeakPolarHBondContact CA-O 3.13Å
784	V	90.1	Very high	84.4	Confident	61 Å²	61	45.7 Å²	45.7	37%	0.37	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.5	177.6	-175.8	0	0	0	0	108.9	L791 T792	V784-L791 CarbonylContact O-C 3.54Å; V784-L791 WeakPolarHBondContact O-CA 3.35Å; V784-T792 PolarHBondContact N-O 3.43Å; V784-T792 PolarHBondContact O-N 3.37Å
785	V	89.6	Confident	84.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.6	173.9	-178.2	0	0	0	0	108.2	I757 L768 W770 T773 G774 L791	I757-V785 HydrophobicContact CD1-CG1 4.3Å; I757-V785 HydrophobicContact CD1-CG2 4.03Å; I757-V785 HydrophobicContact CG1-CG2 4.47Å; L768-V785 HydrophobicContact CB-CG2 4.02Å; L768-V785 HydrophobicContact CD1-CG2 3.66Å; L768-V785 HydrophobicContact CG-CG2 4.46Å; W770-V785 HydrophobicContact CE3-CG1 4.28Å; T773-V785 WeakPolarHBondContact CA-O 3.3Å; G774-V785 PolarHBondContact N-O 3.29Å; G774-V785 PolarHBondContact O-N 2.96Å; V785-L791 HydrophobicContact CG2-CD1 3.7Å
786	T	83.9	Confident	84.8	Confident	65 Å²	65	46.1 Å²	46.1	40%	0.399	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.1	167	-53.3	0	0	0	0	108.4	D788 G789 S790	T786-D788 PolarHBondContact O-N 3.49Å; T786-G789 PolarHBondContact O-N 2.89Å; T786-S790 PolarHBondContact N-O 3.08Å; T786-S790 PolarHBondContact O-N 2.86Å; T786-S790 PolarHBondContact OG1-OG 3.48Å
787	K	80.8	Confident	84.6	Confident	118 Å²	118	50.9 Å²	50.9	51%	0.513	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	126.5	-179.8	175.2	172.6	-177.7	175.4	0	111.6	W770 T771 T773 G789	W770-K787 CarbonylContact O-C 3.6Å; W770-K787 WeakPolarHBondContact O-CA 2.79Å; T771-K787 WeakPolarHBondContact O-CD 3.46Å; T771-K787 WeakPolarHBondContact O-CE 3.27Å; T771-K787 VanDerWaalsContact O-CG 3.32Å; T771-K787 WeakPolarHBondContact O-CG 3.45Å; T773-K787 VanDerWaalsContact OG1-CB 3.31Å; T773-K787 WeakPolarHBondContact OG1-CB 3.44Å; T773-K787 PolarHBondContact OG1-N 3Å; K787-G789 PolarHBondContact O-N 2.85Å
788	D	72.7	Confident	84.5	Confident	64 Å²	64	43.4 Å²	43.4	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	17.8	173.8	-61.4	-18.9	0	0	0	115.4	W770 T786 K807	W770-D788 PolarHBondContact O-N 3.29Å; W770-D788 VanDerWaalsContact O-OD1 3.12Å; T786-D788 PolarHBondContact O-N 3.49Å; D788-K807 HydrophobicContact CB-CD 4.41Å; D788-K807 WeakPolarHBondContact OD1-CE 3.47Å; D788-K807 IonicContact OD1-NZ 2.88Å; D788-K807 PolarHBondContact OD1-NZ 3.01Å; D788-K807 IonicContact OD2-NZ 2.88Å; D788-K807 PolarHBondContact OD2-NZ 3.22Å
789	G	79.1	Confident	84.8	Confident	15 Å²	15	42.4 Å²	42.4	16%	0.155	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-73.4	-170.2	0	0	0	0	0	114.6	T786 K787 L805	T786-G789 PolarHBondContact O-N 2.89Å; K787-G789 PolarHBondContact O-N 2.85Å; G789-L805 PolarHBondContact O-N 2.91Å
790	S	87.6	Confident	85.3	Confident	24 Å²	24	41.1 Å²	41.1	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.5	-166	64.5	0	0	0	0	113.3	T786 I803 L804	T786-S790 PolarHBondContact N-O 3.08Å; T786-S790 PolarHBondContact O-N 2.86Å; T786-S790 PolarHBondContact OG1-OG 3.48Å; S790-I803 CarbonylContact C-O 3.53Å; S790-I803 WeakPolarHBondContact CA-O 3.18Å; S790-L804 VanDerWaalsContact CB-CD2 3.42Å
791	L	89.9	Confident	85.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.4	172.6	171.1	68.5	0	0	0	107.5	V752 I757 W770 V783 V784 V785 V793 V802 I803	V752-L791 HydrophobicContact CB-CD2 4.2Å; V752-L791 HydrophobicContact CG1-CD2 3.6Å; V752-L791 HydrophobicContact CG2-CD2 3.48Å; V752-L791 VanDerWaalsContact CG2-CD2 3.48Å; I757-L791 HydrophobicContact CG1-CD1 4.35Å; I757-L791 HydrophobicContact CG1-CD2 4.01Å; I757-L791 HydrophobicContact CG2-CD1 4.33Å; I757-L791 HydrophobicContact CG2-CD2 3.94Å; W770-L791 HydrophobicContact CH2-CB 3.47Å; W770-L791 VanDerWaalsContact CH2-CB 3.47Å; W770-L791 HydrophobicContact CZ2-CB 4.33Å; W770-L791 HydrophobicContact CZ3-CB 3.89Å; V783-L791 HydrophobicContact CG1-CD1 3.26Å; V783-L791 HydrophobicContact CG1-CG 4.48Å; V784-L791 CarbonylContact O-C 3.54Å; V784-L791 WeakPolarHBondContact O-CA 3.35Å; V785-L791 HydrophobicContact CG2-CD1 3.7Å; L791-V793 HydrophobicContact CD1-CG2 4.36Å; L791-V793 HydrophobicContact CD2-CG2 4.04Å; L791-V793 HydrophobicContact CG-CG2 3.91Å; L791-V802 CarbonylContact O-C 3.51Å; L791-V802 WeakPolarHBondContact O-CA 3.41Å; L791-I803 HydrophobicContact CB-CB 4.23Å; L791-I803 HydrophobicContact CD2-CB 4.4Å; L791-I803 HydrophobicContact CD2-CD1 4.11Å; L791-I803 PolarHBondContact N-O 3.48Å; L791-I803 PolarHBondContact O-N 2.83Å
792	T	90.5	Very high	85.3	Confident	31 Å²	31	40.3 Å²	40.3	19%	0.19	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.6	169.3	-56	0	0	0	0	109.1	V783 V784 K800 F801 V802	V783-T792 WeakPolarHBondContact CA-O 3.13Å; V784-T792 PolarHBondContact N-O 3.43Å; V784-T792 PolarHBondContact O-N 3.37Å; T792-K800 HydrophobicContact CG2-CD 4.32Å; T792-K800 HydrophobicContact CG2-CG 4.14Å; T792-F801 WeakPolarHBondContact CA-O 3.34Å; T792-V802 HydrophobicContact CG2-CG2 4.43Å
793	V	90.1	Very high	85.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.7	176.4	-174.5	0	0	0	0	107.7	L750 V781 L791 L795 K800 F801	L750-V793 HydrophobicContact CD1-CG1 4.3Å; L750-V793 HydrophobicContact CD2-CB 4.45Å; L750-V793 HydrophobicContact CD2-CG1 3.76Å; L750-V793 HydrophobicContact CD2-CG2 3.77Å; V781-V793 HydrophobicContact CG2-CG1 3.94Å; L791-V793 HydrophobicContact CD1-CG2 4.36Å; L791-V793 HydrophobicContact CD2-CG2 4.04Å; L791-V793 HydrophobicContact CG-CG2 3.91Å; V793-L795 HydrophobicContact CG1-CG 4.4Å; V793-K800 WeakPolarHBondContact O-CA 3.25Å; V793-F801 HydrophobicContact CB-CB 4.37Å; V793-F801 PolarHBondContact N-O 3.35Å; V793-F801 PolarHBondContact O-N 3Å
794	T	90.2	Very high	85.2	Confident	50 Å²	50	37.7 Å²	37.7	31%	0.307	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.5	175.4	-64.1	0	0	0	0	108.2	V781 D782	V781-T794 WeakPolarHBondContact CA-O 3.38Å; D782-T794 PolarHBondContact N-O 3.43Å; D782-T794 PolarHBondContact O-N 3.23Å
795	L	87.4	Confident	85	Confident	2 Å²	2	35 Å²	35	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	135.2	175	-64.1	162.3	0	0	0	108.1	I741 H743 V748 V781 V793 D797 S798 F801	I741-L795 HydrophobicContact CG2-CD1 4.45Å; H743-L795 HydrophobicContact CB-CD1 4.36Å; H743-L795 HydrophobicContact CB-CD2 4.19Å; V748-L795 HydrophobicContact CB-CD2 4.4Å; V748-L795 HydrophobicContact CG1-CD2 3.96Å; V781-L795 HydrophobicContact CB-CD2 4.08Å; V781-L795 HydrophobicContact CG2-CD2 3.74Å; V793-L795 HydrophobicContact CG1-CG 4.4Å; L795-D797 PolarHBondContact O-N 2.93Å; L795-S798 CarbonylContact O-C 3.58Å; L795-S798 PolarHBondContact O-N 3.46Å; L795-S798 VanDerWaalsContact O-N 3.17Å; L795-F801 HydrophobicContact CD1-CD2 4.25Å; L795-F801 HydrophobicContact CD1-CE2 3.73Å
796	K	82.9	Confident	84.5	Confident	108 Å²	108	35.6 Å²	35.6	47%	0.47	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	131.5	-174.5	172.8	171.2	171.4	-174.3	0	111.5	L746 P779 N780 S798	L746-K796 HydrophobicContact CD1-CB 4.46Å; P779-K796 WeakPolarHBondContact O-CD 3.48Å; N780-K796 PolarHBondContact O-N 2.92Å; K796-S798 WeakPolarHBondContact O-CB 3.31Å; K796-S798 PolarHBondContact O-N 2.97Å; K796-S798 VanDerWaalsContact O-N 3.07Å
797	D	76.4	Confident	84.1	Confident	151 Å²	151	37.1 Å²	37.1	81%	0.807	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	29.1	-179.8	-52.1	-39.8	0	0	0	112.6	L795	L795-D797 PolarHBondContact O-N 2.93Å
798	S	78.8	Confident	83.6	Confident	13 Å²	13	32.6 Å²	32.6	9%	0.091	17%	0.172	C	C	.	.	S	Bend	trans	-146.7	-174.9	-170.7	-171.5	0	0	0	0	110.6	H743 L795 K796 L828	H743-S798 PolarHBondContact NE2-OG 3.17Å; L795-S798 CarbonylContact O-C 3.58Å; L795-S798 PolarHBondContact O-N 3.46Å; L795-S798 VanDerWaalsContact O-N 3.17Å; K796-S798 WeakPolarHBondContact O-CB 3.31Å; K796-S798 PolarHBondContact O-N 2.97Å; K796-S798 VanDerWaalsContact O-N 3.07Å; S798-L828 WeakPolarHBondContact O-CD1 3.49Å
799	V	81.8	Confident	83	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.			trans	-67.8	147.4	-172.4	61.7	0	0	0	0	113.4	V714 F801 L829	V714-V799 HydrophobicContact CG1-CG1 4.03Å; V714-V799 HydrophobicContact CG2-CG1 4.27Å; V799-F801 HydrophobicContact CB-CZ 4.37Å; V799-F801 HydrophobicContact CG1-CD2 4.45Å; V799-F801 HydrophobicContact CG1-CE1 3.88Å; V799-F801 HydrophobicContact CG1-CE2 3.56Å; V799-F801 HydrophobicContact CG1-CZ 3.23Å; V799-F801 HydrophobicContact CG2-CD1 4.47Å; V799-F801 HydrophobicContact CG2-CE1 4.01Å; V799-F801 HydrophobicContact CG2-CZ 4.23Å; V799-L829 HydrophobicContact CB-CD1 4.41Å; V799-L829 HydrophobicContact CB-CD2 4.12Å; V799-L829 HydrophobicContact CB-CG 4.04Å; V799-L829 HydrophobicContact CG1-CD2 3.84Å; V799-L829 HydrophobicContact CG1-CG 4.29Å; V799-L829 HydrophobicContact CG2-CD1 4.09Å; V799-L829 HydrophobicContact CG2-CG 4.23Å
800	K	86.8	Confident	81.8	Confident	67 Å²	67	45.8 Å²	45.8	29%	0.291	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.8	172.3	-170.8	177.5	179.9	-178.7	0	112.2	T792 V793 L824 D825	T792-K800 HydrophobicContact CG2-CD 4.32Å; T792-K800 HydrophobicContact CG2-CG 4.14Å; V793-K800 WeakPolarHBondContact O-CA 3.25Å; K800-L824 HydrophobicContact CB-CB 4.38Å; K800-L824 HydrophobicContact CD-CD1 3.85Å; K800-L824 HydrophobicContact CG-CD1 4.13Å; K800-L824 PolarHBondContact O-N 2.77Å; K800-D825 HydrophobicContact CB-CB 4.38Å; K800-D825 WeakPolarHBondContact CB-OD2 3.41Å
801	F	87.2	Confident	80.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147	177.6	-55.8	-68	0	0	0	111.9	V714 V716 I741 T792 V793 L795 V799 F821 T823	V714-F801 HydrophobicContact CG1-CE2 4.05Å; V714-F801 HydrophobicContact CG1-CZ 3.65Å; V716-F801 HydrophobicContact CG2-CE1 4.08Å; V716-F801 HydrophobicContact CG2-CE2 4.24Å; V716-F801 HydrophobicContact CG2-CZ 3.74Å; I741-F801 HydrophobicContact CD1-CD2 4.23Å; I741-F801 HydrophobicContact CG2-CD2 4.29Å; I741-F801 HydrophobicContact CG2-CE2 4.02Å; T792-F801 WeakPolarHBondContact CA-O 3.34Å; V793-F801 HydrophobicContact CB-CB 4.37Å; V793-F801 PolarHBondContact N-O 3.35Å; V793-F801 PolarHBondContact O-N 3Å; L795-F801 HydrophobicContact CD1-CD2 4.25Å; L795-F801 HydrophobicContact CD1-CE2 3.73Å; V799-F801 HydrophobicContact CB-CZ 4.37Å; V799-F801 HydrophobicContact CG1-CD2 4.45Å; V799-F801 HydrophobicContact CG1-CE1 3.88Å; V799-F801 HydrophobicContact CG1-CE2 3.56Å; V799-F801 HydrophobicContact CG1-CZ 3.23Å; V799-F801 HydrophobicContact CG2-CD1 4.47Å; V799-F801 HydrophobicContact CG2-CE1 4.01Å; V799-F801 HydrophobicContact CG2-CZ 4.23Å; F801-F821 HydrophobicContact CB-CE2 4.16Å; F801-F821 HydrophobicContact CD1-CE1 4.37Å; F801-F821 AromaticContact CD1-CE2 3.73Å; F801-F821 HydrophobicContact CD1-CE2 3.73Å; F801-F821 AromaticContact CD1-CZ 3.33Å; F801-F821 HydrophobicContact CD1-CZ 3.33Å; F801-F821 HydrophobicContact CE1-CE2 4.35Å; F801-F821 AromaticContact CE1-CZ 3.64Å; F801-F821 HydrophobicContact CE1-CZ 3.64Å; F801-F821 HydrophobicContact CG-CE2 4.07Å; F801-F821 HydrophobicContact CG-CZ 4.13Å; F801-T823 HydrophobicContact CD1-CG2 3.67Å; F801-T823 HydrophobicContact CE1-CG2 3.69Å
802	V	87.6	Confident	79.1	Confident	19 Å²	19	54.6 Å²	54.6	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.2	167.9	176.9	0	0	0	0	109.2	L791 T792 L804 Y822 L824	L791-V802 CarbonylContact O-C 3.51Å; L791-V802 WeakPolarHBondContact O-CA 3.41Å; T792-V802 HydrophobicContact CG2-CG2 4.43Å; V802-L804 HydrophobicContact CG1-CD2 3.71Å; V802-L804 HydrophobicContact CG1-CG 4.25Å; V802-Y822 PolarHBondContact N-O 3.03Å; V802-Y822 PolarHBondContact O-N 3.42Å; V802-L824 HydrophobicContact CG2-CD1 3.4Å; V802-L824 HydrophobicContact CG2-CD2 4.33Å; V802-L824 HydrophobicContact CG2-CG 3.8Å
803	I	89.5	Confident	77.5	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.7	172.6	-65.5	162.7	0	0	0	108.4	F739 I741 V752 W770 S790 L791 L819 G820 F821	F739-I803 HydrophobicContact CB-CD1 4.32Å; F739-I803 HydrophobicContact CD2-CD1 4.08Å; F739-I803 HydrophobicContact CD2-CG1 4.22Å; F739-I803 HydrophobicContact CD2-CG2 4.02Å; F739-I803 HydrophobicContact CE2-CG2 4.19Å; F739-I803 HydrophobicContact CG-CD1 4.49Å; I741-I803 HydrophobicContact CD1-CD1 3.78Å; V752-I803 HydrophobicContact CB-CD1 4.08Å; V752-I803 HydrophobicContact CG1-CD1 4.12Å; V752-I803 HydrophobicContact CG1-CG2 4.01Å; V752-I803 HydrophobicContact CG2-CD1 3.69Å; W770-I803 HydrophobicContact CH2-CG2 4.38Å; S790-I803 CarbonylContact C-O 3.53Å; S790-I803 WeakPolarHBondContact CA-O 3.18Å; L791-I803 HydrophobicContact CB-CB 4.23Å; L791-I803 HydrophobicContact CD2-CB 4.4Å; L791-I803 HydrophobicContact CD2-CD1 4.11Å; L791-I803 PolarHBondContact N-O 3.48Å; L791-I803 PolarHBondContact O-N 2.83Å; I803-L819 HydrophobicContact CG2-CB 4.13Å; I803-L819 HydrophobicContact CG2-CD1 4.33Å; I803-L819 HydrophobicContact CG2-CD2 4.18Å; I803-L819 HydrophobicContact CG2-CG 4.45Å; I803-G820 CarbonylContact C-O 3.59Å; I803-G820 VanDerWaalsContact CA-O 3.24Å; I803-G820 WeakPolarHBondContact CA-O 3.4Å; I803-F821 HydrophobicContact CD1-CD2 4.27Å; I803-F821 HydrophobicContact CG1-CD2 3.81Å; I803-F821 HydrophobicContact CG1-CE2 4.48Å
804	L	86.1	Confident	76.3	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.9	-179.9	-61.5	-173.6	0	0	0	110.6	S790 V802 L819 G820 Y822 F881 V885	S790-L804 VanDerWaalsContact CB-CD2 3.42Å; V802-L804 HydrophobicContact CG1-CD2 3.71Å; V802-L804 HydrophobicContact CG1-CG 4.25Å; L804-L819 CarbonylContact O-C 3.6Å; L804-L819 WeakPolarHBondContact O-CA 3.49Å; L804-G820 PolarHBondContact N-O 3.14Å; L804-G820 PolarHBondContact O-N 2.59Å; L804-Y822 HydrophobicContact CB-CE2 4.32Å; L804-Y822 HydrophobicContact CD1-CD2 4.06Å; L804-Y822 HydrophobicContact CD1-CE2 3.56Å; L804-Y822 HydrophobicContact CG-CD2 4.04Å; L804-Y822 HydrophobicContact CG-CE2 3.85Å; L804-F881 VanDerWaalsContact CD1-C 3.47Å; L804-F881 HydrophobicContact CD1-CB 4Å; L804-F881 WeakPolarHBondContact CD1-O 3.3Å; L804-V885 HydrophobicContact CB-CG1 4.14Å; L804-V885 HydrophobicContact CD1-CB 4.47Å; L804-V885 HydrophobicContact CD1-CG1 4.23Å; L804-V885 HydrophobicContact CD1-CG2 3.94Å; L804-V885 HydrophobicContact CD2-CG1 4.29Å; L804-V885 HydrophobicContact CD2-CG2 3.76Å; L804-V885 HydrophobicContact CG-CG1 4.46Å; L804-V885 HydrophobicContact CG-CG2 4.42Å
805	L	85.4	Confident	75.4	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.3	172.5	176.2	65.6	0	0	0	109.9	T754 W770 G789 K807 L819	T754-L805 HydrophobicContact CG2-CD1 4.01Å; W770-L805 HydrophobicContact CB-CD2 3.72Å; W770-L805 HydrophobicContact CD2-CB 4.11Å; W770-L805 HydrophobicContact CD2-CD2 3.68Å; W770-L805 HydrophobicContact CD2-CG 4.44Å; W770-L805 HydrophobicContact CE3-CB 3.89Å; W770-L805 HydrophobicContact CE3-CD2 4.03Å; W770-L805 HydrophobicContact CG-CD2 3.55Å; W770-L805 HydrophobicContact CH2-CB 4.05Å; W770-L805 HydrophobicContact CZ2-CB 4.28Å; W770-L805 HydrophobicContact CZ3-CB 3.85Å; G789-L805 PolarHBondContact O-N 2.91Å; L805-K807 HydrophobicContact CD2-CD 4.48Å; L805-K807 HydrophobicContact CD2-CG 4.06Å; L805-K807 HydrophobicContact CG-CG 4.07Å; L805-L819 HydrophobicContact CB-CD2 4.21Å; L805-L819 HydrophobicContact CD1-CD2 3.68Å
806	H	80.8	Confident	74.9	Confident	14 Å²	14	64.1 Å²	64.1	7%	0.065	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.8	172.3	-63.1	-77.4	0	0	0	109.7	D817 Y818 F881	H806-D817 VanDerWaalsContact O-CA 3.25Å; H806-D817 WeakPolarHBondContact O-CA 3.37Å; H806-Y818 HydrophobicContact CB-CD1 3.84Å; H806-Y818 HydrophobicContact CB-CD2 3.93Å; H806-Y818 HydrophobicContact CB-CE1 3.52Å; H806-Y818 HydrophobicContact CB-CE2 3.6Å; H806-Y818 HydrophobicContact CB-CG 4.03Å; H806-Y818 AromaticContact CD2-CD2 3.7Å; H806-Y818 AromaticContact CD2-CE2 3.23Å; H806-Y818 WeakPolarHBondContact CD2-CE2 3.33Å; H806-Y818 AromaticContact CD2-CZ 3.83Å; H806-Y818 AromaticContact CG-CE2 3.42Å; H806-Y818 VanDerWaalsContact CG-CE2 3.42Å; H806-Y818 AromaticContact CG-CZ 3.49Å; H806-Y818 VanDerWaalsContact CG-CZ 3.49Å; H806-Y818 PolarHBondContact N-O 3.47Å; H806-Y818 PolarHBondContact O-N 3.41Å; H806-Y818 VanDerWaalsContact O-N 3.1Å; H806-F881 VanDerWaalsContact CE1-CB 3.41Å; H806-F881 WeakPolarHBondContact CE1-CB 3.38Å; H806-F881 AromaticContact CE1-CD1 3.64Å; H806-F881 AromaticContact CE1-CD2 3.94Å; H806-F881 AromaticContact CE1-CG 3.38Å; H806-F881 WeakPolarHBondContact CE1-CG 3.1Å
807	K	74.5	Confident	74.9	Confident	98 Å²	98	61.8 Å²	61.8	43%	0.426	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-89.2	121.3	177.4	-67.5	-167.5	-179.5	-169.1	0	111.2	D788 L805	D788-K807 HydrophobicContact CB-CD 4.41Å; D788-K807 WeakPolarHBondContact OD1-CE 3.47Å; D788-K807 IonicContact OD1-NZ 2.88Å; D788-K807 PolarHBondContact OD1-NZ 3.01Å; D788-K807 IonicContact OD2-NZ 2.88Å; D788-K807 PolarHBondContact OD2-NZ 3.22Å; L805-K807 HydrophobicContact CD2-CD 4.48Å; L805-K807 HydrophobicContact CD2-CG 4.06Å; L805-K807 HydrophobicContact CG-CG 4.07Å
808	V	70.6	Confident	75.4	Confident	23 Å²	23	56.4 Å²	56.4	14%	0.139	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-88.2	144	172	176.2	0	0	0	0	109	K810 H812 H815 R816 D817	V808-K810 PolarHBondContact O-N 2.84Å; V808-H812 HydrophobicContact CG1-CB 3.27Å; V808-H815 HydrophobicContact CG1-CB 3.85Å; V808-H815 HydrophobicContact CG2-CB 3.9Å; V808-R816 VanDerWaalsContact CG2-C 3.48Å; V808-R816 WeakPolarHBondContact CG2-O 3.21Å; V808-D817 PolarHBondContact N-OD1 3.09Å
809	W	59.5	Low	75.8	Confident	143 Å²	143	56 Å²	56	54%	0.542	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-56.8	137.8	-178.5	78.2	72.3	0	0	0	111.4	K811 H812	W809-K811 VanDerWaalsContact CD1-C 3.44Å; W809-K811 VanDerWaalsContact NE1-C 3.28Å; W809-K811 PolarHBondContact NE1-O 2.83Å; W809-K811 PolarHBondContact O-N 3.44Å; W809-H812 HydrophobicContact CD2-CB 3.94Å; W809-H812 AromaticContact CD2-CD2 3.46Å; W809-H812 VanDerWaalsContact CD2-CD2 3.46Å; W809-H812 AromaticContact CE2-CD2 3.25Å; W809-H812 AromaticContact CE2-CG 3.62Å; W809-H812 AromaticContact CE3-CD2 3.49Å; W809-H812 VanDerWaalsContact CE3-CD2 3.49Å; W809-H812 HydrophobicContact CG-CB 4.03Å; W809-H812 AromaticContact CH2-CD2 3.1Å; W809-H812 WeakPolarHBondContact CH2-CD2 3.45Å; W809-H812 AromaticContact CH2-NE2 3.27Å; W809-H812 VanDerWaalsContact CH2-NE2 3.27Å; W809-H812 WeakPolarHBondContact CH2-NE2 3.48Å; W809-H812 HydrophobicContact CZ2-CB 4.11Å; W809-H812 AromaticContact CZ2-CD2 3.07Å; W809-H812 WeakPolarHBondContact CZ2-CD2 3.35Å; W809-H812 AromaticContact CZ2-CG 3.64Å; W809-H812 AromaticContact CZ2-NE2 3.56Å; W809-H812 AromaticContact CZ3-CD2 3.32Å; W809-H812 WeakPolarHBondContact CZ3-CD2 3.3Å; W809-H812 AromaticContact CZ3-NE2 3.71Å; W809-H812 WeakPolarHBondContact O-CB 3.46Å; W809-H812 PolarHBondContact O-N 2.9Å
810	K	54.7	Low	76	Confident	213 Å²	213	56.5 Å²	56.5	93%	0.926	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-23.8	-167.8	-81.8	-178.1	176.5	176.7	0	115.8	V808	V808-K810 PolarHBondContact O-N 2.84Å
811	K	56	Low	76	Confident	192 Å²	192	54.2 Å²	54.2	84%	0.835	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.2	20.1	178.7	-66.8	-172.7	178.5	179.6	0	114.4	W809 P813	W809-K811 VanDerWaalsContact CD1-C 3.44Å; W809-K811 VanDerWaalsContact NE1-C 3.28Å; W809-K811 PolarHBondContact NE1-O 2.83Å; W809-K811 PolarHBondContact O-N 3.44Å; K811-P813 WeakPolarHBondContact O-CD 3.44Å
812	H	64.9	Low	75.9	Confident	16 Å²	16	56 Å²	56	7%	0.074	25%	0.25	C	C	.	.			trans	-66.2	126	-176.8	-163.4	-67.2	0	0	0	110.8	K724 V808 W809 Y814 H815	K724-H812 PolarHBondContact NZ-O 2.87Å; V808-H812 HydrophobicContact CG1-CB 3.27Å; W809-H812 HydrophobicContact CD2-CB 3.94Å; W809-H812 AromaticContact CD2-CD2 3.46Å; W809-H812 VanDerWaalsContact CD2-CD2 3.46Å; W809-H812 AromaticContact CE2-CD2 3.25Å; W809-H812 AromaticContact CE2-CG 3.62Å; W809-H812 AromaticContact CE3-CD2 3.49Å; W809-H812 VanDerWaalsContact CE3-CD2 3.49Å; W809-H812 HydrophobicContact CG-CB 4.03Å; W809-H812 AromaticContact CH2-CD2 3.1Å; W809-H812 WeakPolarHBondContact CH2-CD2 3.45Å; W809-H812 AromaticContact CH2-NE2 3.27Å; W809-H812 VanDerWaalsContact CH2-NE2 3.27Å; W809-H812 WeakPolarHBondContact CH2-NE2 3.48Å; W809-H812 HydrophobicContact CZ2-CB 4.11Å; W809-H812 AromaticContact CZ2-CD2 3.07Å; W809-H812 WeakPolarHBondContact CZ2-CD2 3.35Å; W809-H812 AromaticContact CZ2-CG 3.64Å; W809-H812 AromaticContact CZ2-NE2 3.56Å; W809-H812 AromaticContact CZ3-CD2 3.32Å; W809-H812 WeakPolarHBondContact CZ3-CD2 3.3Å; W809-H812 AromaticContact CZ3-NE2 3.71Å; W809-H812 WeakPolarHBondContact O-CB 3.46Å; W809-H812 PolarHBondContact O-N 2.9Å; H812-Y814 VanDerWaalsContact C-N 3.3Å; H812-Y814 PolarHBondContact ND1-N 3.17Å; H812-Y814 PolarHBondContact O-N 2.79Å; H812-H815 AromaticContact CE1-CD2 3.12Å; H812-H815 PolarHBondContact CE1-CD2 3.47Å; H812-H815 AromaticContact CE1-CG 3.75Å; H812-H815 AromaticContact CE1-NE2 3.75Å; H812-H815 AromaticContact ND1-CD2 3.84Å; H812-H815 PolarHBondContact ND1-N 3.42Å; H812-H815 AromaticContact NE2-CD2 3.37Å; H812-H815 PolarHBondContact NE2-CD2 3.23Å
813	P	57.1	Low	75.5	Confident	57 Å²	57	56.3 Å²	56.3	37%	0.37	25%	0.251	S	S	.	.	S	Bend	trans	-69.1	-26.2	-173.8	22.1	-29.4	0	0	0	113.7	K811	K811-P813 WeakPolarHBondContact O-CD 3.44Å
814	Y	63.4	Low	74.7	Confident	104 Å²	104	60.4 Å²	60.4	41%	0.408	27%	0.273	S	S	.	.	S	Bend	trans	-114	-61.1	-175.1	-54.3	-75.4	0	0	0	114.1	K724 K725 H812	K724-Y814 WeakPolarHBondContact CB-O 3.29Å; K724-Y814 PolarHBondContact N-O 3.27Å; K725-Y814 HydrophobicContact CB-CD1 4.05Å; K725-Y814 HydrophobicContact CB-CE1 4.31Å; K725-Y814 HydrophobicContact CD-CE1 4.47Å; H812-Y814 VanDerWaalsContact C-N 3.3Å; H812-Y814 PolarHBondContact ND1-N 3.17Å; H812-Y814 PolarHBondContact O-N 2.79Å
815	H	72.1	Confident	74.2	Confident	24 Å²	24	62.8 Å²	62.8	11%	0.111	29%	0.286	C	S	.	.			trans	-76.6	157.8	-172.7	-50.5	-47.8	0	0	0	116.8	D723 K724 Y735 V808 H812	D723-H815 WeakPolarHBondContact OD1-CA 3.38Å; D723-H815 IonicContact OD1-CG 3.34Å; D723-H815 IonicContact OD1-ND1 3.92Å; D723-H815 PolarHBondContact OD1-ND1 2.96Å; D723-H815 IonicContact OD2-CE1 3.91Å; D723-H815 IonicContact OD2-ND1 3.12Å; D723-H815 PolarHBondContact OD2-ND1 3.09Å; K724-H815 WeakPolarHBondContact CE-O 3.47Å; K724-H815 PolarHBondContact NZ-O 2.84Å; K724-H815 VanDerWaalsContact NZ-O 3.09Å; Y735-H815 PolarHBondContact OH-ND1 2.67Å; Y735-H815 VanDerWaalsContact OH-ND1 3.13Å; V808-H815 HydrophobicContact CG1-CB 3.85Å; V808-H815 HydrophobicContact CG2-CB 3.9Å; H812-H815 AromaticContact CE1-CD2 3.12Å; H812-H815 PolarHBondContact CE1-CD2 3.47Å; H812-H815 AromaticContact CE1-CG 3.75Å; H812-H815 AromaticContact CE1-NE2 3.75Å; H812-H815 AromaticContact ND1-CD2 3.84Å; H812-H815 PolarHBondContact ND1-N 3.42Å; H812-H815 AromaticContact NE2-CD2 3.37Å; H812-H815 PolarHBondContact NE2-CD2 3.23Å
816	R	77.9	Confident	73.7	Confident	98 Å²	98	64.3 Å²	64.3	37%	0.37	30%	0.295	S	S	.	.			trans	-120	157.7	175.2	-61.7	-175.6	179.2	-140.9	-0.1	109.9	G722 K724 V808	G722-R816 WeakPolarHBondContact O-CD 3.24Å; G722-R816 PolarHBondContact O-NE 2.88Å; K724-R816 HydrophobicContact CD-CG 4.32Å; K724-R816 HydrophobicContact CG-CG 3.55Å; V808-R816 VanDerWaalsContact CG2-C 3.48Å; V808-R816 WeakPolarHBondContact CG2-O 3.21Å
817	D	82.5	Confident	73.6	Confident	59 Å²	59	70 Å²	70	32%	0.316	32%	0.322	S	S	.	.			trans	-56.8	141	167.2	-59.1	-11.2	0	0	0	109.5	T754 H806 V808	T754-D817 HydrophobicContact CG2-CB 4.17Å; H806-D817 VanDerWaalsContact O-CA 3.25Å; H806-D817 WeakPolarHBondContact O-CA 3.37Å; V808-D817 PolarHBondContact N-OD1 3.09Å
818	Y	86.1	Confident	74	Confident	39 Å²	39	69.2 Å²	69.2	15%	0.153	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	171.5	-178.6	66.7	-89.9	0	0	0	111.4	Y735 F736 H806	Y735-Y818 AromaticContact CD1-CD1 3.87Å; Y735-Y818 HydrophobicContact CD1-CD1 3.87Å; Y735-Y818 HydrophobicContact CD1-CD2 4.18Å; Y735-Y818 HydrophobicContact CD1-CE1 4.19Å; Y735-Y818 HydrophobicContact CD1-CE2 4.48Å; Y735-Y818 AromaticContact CD1-CG 3.88Å; Y735-Y818 HydrophobicContact CD1-CG 3.88Å; Y735-Y818 HydrophobicContact CE1-CD1 4.4Å; Y735-Y818 HydrophobicContact CE1-CE1 4.41Å; Y735-Y818 HydrophobicContact CG-CD1 4.25Å; Y735-Y818 HydrophobicContact CG-CG 4.06Å; F736-Y818 CarbonylContact O-C 3.53Å; F736-Y818 WeakPolarHBondContact O-CA 3.24Å; F736-Y818 WeakPolarHBondContact O-CB 3.49Å; H806-Y818 HydrophobicContact CB-CD1 3.84Å; H806-Y818 HydrophobicContact CB-CD2 3.93Å; H806-Y818 HydrophobicContact CB-CE1 3.52Å; H806-Y818 HydrophobicContact CB-CE2 3.6Å; H806-Y818 HydrophobicContact CB-CG 4.03Å; H806-Y818 AromaticContact CD2-CD2 3.7Å; H806-Y818 AromaticContact CD2-CE2 3.23Å; H806-Y818 WeakPolarHBondContact CD2-CE2 3.33Å; H806-Y818 AromaticContact CD2-CZ 3.83Å; H806-Y818 AromaticContact CG-CE2 3.42Å; H806-Y818 VanDerWaalsContact CG-CE2 3.42Å; H806-Y818 AromaticContact CG-CZ 3.49Å; H806-Y818 VanDerWaalsContact CG-CZ 3.49Å; H806-Y818 PolarHBondContact N-O 3.47Å; H806-Y818 PolarHBondContact O-N 3.41Å; H806-Y818 VanDerWaalsContact O-N 3.1Å
819	L	87.3	Confident	74.6	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.8	-177.2	-57.7	176.7	0	0	0	110.9	F736 W737 F739 V752 T754 W770 I803 L804 L805	F736-L819 PolarHBondContact O-N 2.73Å; W737-L819 WeakPolarHBondContact O-CD1 3.41Å; F739-L819 HydrophobicContact CD2-CB 4.03Å; F739-L819 HydrophobicContact CD2-CD1 3.84Å; F739-L819 HydrophobicContact CE2-CB 3.45Å; F739-L819 VanDerWaalsContact CE2-CB 3.45Å; F739-L819 HydrophobicContact CE2-CD1 4.13Å; F739-L819 HydrophobicContact CE2-CG 4.45Å; F739-L819 HydrophobicContact CZ-CB 4.39Å; V752-L819 HydrophobicContact CG1-CD1 4.06Å; T754-L819 HydrophobicContact CG2-CD2 4.04Å; T754-L819 HydrophobicContact CG2-CG 3.86Å; W770-L819 HydrophobicContact CZ2-CD2 3.98Å; I803-L819 HydrophobicContact CG2-CB 4.13Å; I803-L819 HydrophobicContact CG2-CD1 4.33Å; I803-L819 HydrophobicContact CG2-CD2 4.18Å; I803-L819 HydrophobicContact CG2-CG 4.45Å; L804-L819 CarbonylContact O-C 3.6Å; L804-L819 WeakPolarHBondContact O-CA 3.49Å; L805-L819 HydrophobicContact CB-CD2 4.21Å; L805-L819 HydrophobicContact CD1-CD2 3.68Å
820	G	86.2	Confident	76	Confident	11 Å²	11	62.2 Å²	62.2	11%	0.113	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	143.7	165.1	0	0	0	0	0	110.6	I803 L804	I803-G820 CarbonylContact C-O 3.59Å; I803-G820 VanDerWaalsContact CA-O 3.24Å; I803-G820 WeakPolarHBondContact CA-O 3.4Å; L804-G820 PolarHBondContact N-O 3.14Å; L804-G820 PolarHBondContact O-N 2.59Å
821	F	86.9	Confident	77.5	Confident	19 Å²	19	57.6 Å²	57.6	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.2	177.8	176.2	-92.3	0	0	0	110.8	L706 V707 V716 F739 I741 F801 I803 T823 L837	L706-F821 HydrophobicContact CD1-CD1 4.27Å; L706-F821 HydrophobicContact CD1-CG 4.43Å; V707-F821 HydrophobicContact CG2-CE1 4.16Å; V707-F821 HydrophobicContact CG2-CZ 4.48Å; V716-F821 HydrophobicContact CB-CZ 4.22Å; V716-F821 HydrophobicContact CG1-CD2 4.22Å; V716-F821 HydrophobicContact CG1-CE1 4.29Å; V716-F821 HydrophobicContact CG1-CE2 3.63Å; V716-F821 HydrophobicContact CG1-CZ 3.66Å; V716-F821 HydrophobicContact CG2-CE2 4.4Å; V716-F821 HydrophobicContact CG2-CZ 4.03Å; F739-F821 HydrophobicContact CE1-CB 3.88Å; F739-F821 HydrophobicContact CE1-CG 4.45Å; F739-F821 HydrophobicContact CE2-CB 3.8Å; F739-F821 HydrophobicContact CZ-CB 3.46Å; F739-F821 VanDerWaalsContact CZ-CB 3.46Å; F739-F821 HydrophobicContact CZ-CG 4.43Å; I741-F821 HydrophobicContact CD1-CE2 4.33Å; F801-F821 HydrophobicContact CB-CE2 4.16Å; F801-F821 HydrophobicContact CD1-CE1 4.37Å; F801-F821 AromaticContact CD1-CE2 3.73Å; F801-F821 HydrophobicContact CD1-CE2 3.73Å; F801-F821 AromaticContact CD1-CZ 3.33Å; F801-F821 HydrophobicContact CD1-CZ 3.33Å; F801-F821 HydrophobicContact CE1-CE2 4.35Å; F801-F821 AromaticContact CE1-CZ 3.64Å; F801-F821 HydrophobicContact CE1-CZ 3.64Å; F801-F821 HydrophobicContact CG-CE2 4.07Å; F801-F821 HydrophobicContact CG-CZ 4.13Å; I803-F821 HydrophobicContact CD1-CD2 4.27Å; I803-F821 HydrophobicContact CG1-CD2 3.81Å; I803-F821 HydrophobicContact CG1-CE2 4.48Å; F821-T823 HydrophobicContact CE1-CG2 4Å; F821-T823 HydrophobicContact CZ-CG2 4.18Å; F821-L837 HydrophobicContact CD1-CD1 3.94Å; F821-L837 HydrophobicContact CE1-CD1 4.27Å
822	Y	84	Confident	79.1	Confident	38 Å²	38	50.7 Å²	50.7	15%	0.149	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.8	-174.7	-55.5	-80	0	0	0	111.4	V802 L804 R882	V802-Y822 PolarHBondContact N-O 3.03Å; V802-Y822 PolarHBondContact O-N 3.42Å; L804-Y822 HydrophobicContact CB-CE2 4.32Å; L804-Y822 HydrophobicContact CD1-CD2 4.06Å; L804-Y822 HydrophobicContact CD1-CE2 3.56Å; L804-Y822 HydrophobicContact CG-CD2 4.04Å; L804-Y822 HydrophobicContact CG-CE2 3.85Å; Y822-R882 HydrophobicContact CD1-CG 3.14Å; Y822-R882 HydrophobicContact CD2-CG 3.83Å; Y822-R882 HydrophobicContact CE1-CG 3.44Å; Y822-R882 VanDerWaalsContact CE1-CG 3.44Å; Y822-R882 HydrophobicContact CE2-CG 4.12Å; Y822-R882 HydrophobicContact CG-CG 3.3Å
823	T	80	Confident	80.4	Confident	25 Å²	25	50.3 Å²	50.3	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.8	177.2	42.2	0	0	0	0	110.9	F801 F821 T826 Y841	F801-T823 HydrophobicContact CD1-CG2 3.67Å; F801-T823 HydrophobicContact CE1-CG2 3.69Å; F821-T823 HydrophobicContact CE1-CG2 4Å; F821-T823 HydrophobicContact CZ-CG2 4.18Å; T823-T826 WeakPolarHBondContact OG1-CG2 3.3Å; T823-Y841 HydrophobicContact CG2-CE2 3.85Å; T823-Y841 WeakPolarHBondContact CG2-OH 3.39Å; T823-Y841 WeakPolarHBondContact OG1-CE1 3.21Å; T823-Y841 VanDerWaalsContact OG1-CZ 3.27Å; T823-Y841 PolarHBondContact OG1-OH 2.95Å; T823-Y841 VanDerWaalsContact OG1-OH 3.04Å
824	L	73.1	Confident	82.1	Confident	86 Å²	86	51 Å²	51	45%	0.45	26%	0.26	S	S	.	.	S	Bend	trans	-103	-43.9	-179.3	-65.5	-178.2	0	0	0	113.1	K800 V802	K800-L824 HydrophobicContact CB-CB 4.38Å; K800-L824 HydrophobicContact CD-CD1 3.85Å; K800-L824 HydrophobicContact CG-CD1 4.13Å; K800-L824 PolarHBondContact O-N 2.77Å; V802-L824 HydrophobicContact CG2-CD1 3.4Å; V802-L824 HydrophobicContact CG2-CD2 4.33Å; V802-L824 HydrophobicContact CG2-CG 3.8Å
825	D	74.4	Confident	83.4	Confident	52 Å²	52	46 Å²	46	28%	0.278	24%	0.24	S	C	.	.			trans	-113.7	59.7	-172.2	-61.7	-46.6	0	0	0	111.4	K800 H827 L828	K800-D825 HydrophobicContact CB-CB 4.38Å; K800-D825 WeakPolarHBondContact CB-OD2 3.41Å; D825-H827 PolarHBondContact O-N 3.33Å; D825-H827 IonicContact OD1-CE1 2.93Å; D825-L828 HydrophobicContact CB-CD1 3.93Å; D825-L828 HydrophobicContact CB-CG 4.34Å; D825-L828 PolarHBondContact O-N 3.3Å
826	T	75.9	Confident	84.2	Confident	36 Å²	36	44.9 Å²	44.9	22%	0.221	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-64.9	-21.9	-173.6	56.1	0	0	0	0	114	T823 L828 L829 Y841	T823-T826 WeakPolarHBondContact OG1-CG2 3.3Å; T826-L828 PolarHBondContact O-N 3.47Å; T826-L829 PolarHBondContact O-N 2.66Å; T826-Y841 HydrophobicContact CG2-CD1 3.67Å; T826-Y841 HydrophobicContact CG2-CD2 4.02Å; T826-Y841 HydrophobicContact CG2-CE1 3.92Å; T826-Y841 HydrophobicContact CG2-CE2 4.26Å; T826-Y841 HydrophobicContact CG2-CG 3.73Å
827	H	78.2	Confident	84.8	Confident	134 Å²	134	40.9 Å²	40.9	62%	0.62	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-67.5	-16	178	65.6	-84.1	0	0	0	113.9	D825	D825-H827 PolarHBondContact O-N 3.33Å; D825-H827 IonicContact OD1-CE1 2.93Å
828	L	82.3	Confident	85	Confident	81 Å²	81	38 Å²	38	42%	0.424	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-85.5	-8.2	176.9	-60.3	177.8	0	0	0	113.1	S798 D825 T826	S798-L828 WeakPolarHBondContact O-CD1 3.49Å; D825-L828 HydrophobicContact CB-CD1 3.93Å; D825-L828 HydrophobicContact CB-CG 4.34Å; D825-L828 PolarHBondContact O-N 3.3Å; T826-L828 PolarHBondContact O-N 3.47Å
829	L	84.6	Confident	85.2	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-82.9	145.1	173.6	-69	165	0	0	0	110.2	V707 D709 V714 V799 T826 V833 Y841 H842	V707-L829 HydrophobicContact CG1-CD1 4.22Å; D709-L829 HydrophobicContact CB-CD2 4.06Å; D709-L829 WeakPolarHBondContact OD2-CA 3.48Å; D709-L829 WeakPolarHBondContact OD2-CD2 3.4Å; V714-L829 HydrophobicContact CB-CD2 4.28Å; V714-L829 HydrophobicContact CG1-CD2 4.47Å; V714-L829 HydrophobicContact CG2-CD2 4.47Å; V799-L829 HydrophobicContact CB-CD1 4.41Å; V799-L829 HydrophobicContact CB-CD2 4.12Å; V799-L829 HydrophobicContact CB-CG 4.04Å; V799-L829 HydrophobicContact CG1-CD2 3.84Å; V799-L829 HydrophobicContact CG1-CG 4.29Å; V799-L829 HydrophobicContact CG2-CD1 4.09Å; V799-L829 HydrophobicContact CG2-CG 4.23Å; T826-L829 PolarHBondContact O-N 2.66Å; L829-V833 HydrophobicContact CB-CB 4.14Å; L829-V833 HydrophobicContact CB-CG1 4.17Å; L829-V833 HydrophobicContact CB-CG2 4.25Å; L829-V833 HydrophobicContact CD1-CG2 4.18Å; L829-Y841 HydrophobicContact CD1-CD2 3.5Å; L829-Y841 HydrophobicContact CD1-CE2 3.81Å; L829-H842 PolarHBondContact O-CE1 3.17Å; L829-H842 PolarHBondContact O-NE2 3.28Å
830	S	88.2	Confident	85.2	Confident	15 Å²	15	37.3 Å²	37.3	11%	0.105	20%	0.203	C	C	.	.			trans	-64.6	159	-177	80.4	0	0	0	0	111.7	D709 E711 S832 V833 H842	D709-S830 WeakPolarHBondContact OD1-CB 3.42Å; D709-S830 PolarHBondContact OD1-OG 2.98Å; D709-S830 PolarHBondContact OD2-N 3.17Å; D709-S830 PolarHBondContact OD2-OG 2.72Å; E711-S830 WeakPolarHBondContact OE2-CB 3.3Å; S830-S832 PolarHBondContact O-N 2.99Å; S830-S832 PolarHBondContact OG-N 3.48Å; S830-S832 PolarHBondContact OG-OG 3.26Å; S830-V833 WeakPolarHBondContact O-CB 3.2Å; S830-V833 WeakPolarHBondContact O-CG1 3.42Å; S830-V833 PolarHBondContact O-N 3.5Å; S830-V833 VanDerWaalsContact O-N 3.08Å; S830-H842 VanDerWaalsContact C-NE2 3.35Å; S830-H842 PolarHBondContact O-NE2 3.44Å
831	P	87.1	Confident	85.2	Confident	115 Å²	115	38.2 Å²	38.2	75%	0.747	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.4	171.5	-24.6	35.4	0	0	0	114.1	V833	P831-V833 VanDerWaalsContact C-N 3.33Å
832	S	88.3	Confident	85	Confident	47 Å²	47	42.2 Å²	42.2	33%	0.329	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-2	179.2	78.4	0	0	0	0	114	E711 S830 H834	E711-S832 WeakPolarHBondContact CG-OG 3.47Å; S830-S832 PolarHBondContact O-N 2.99Å; S830-S832 PolarHBondContact OG-N 3.48Å; S830-S832 PolarHBondContact OG-OG 3.26Å; S832-H834 PolarHBondContact O-N 2.9Å
833	V	92.4	Very high	84.6	Confident	8 Å²	8	42.1 Å²	42.1	5%	0.048	23%	0.233	C	C	.	.			trans	-57.7	132.2	-179.7	66.8	0	0	0	0	111.7	V707 D709 L829 S830 P831 Y841	V707-V833 HydrophobicContact CG1-CG2 3.79Å; D709-V833 HydrophobicContact CB-CB 4.1Å; D709-V833 HydrophobicContact CB-CG2 3.96Å; L829-V833 HydrophobicContact CB-CB 4.14Å; L829-V833 HydrophobicContact CB-CG1 4.17Å; L829-V833 HydrophobicContact CB-CG2 4.25Å; L829-V833 HydrophobicContact CD1-CG2 4.18Å; S830-V833 WeakPolarHBondContact O-CB 3.2Å; S830-V833 WeakPolarHBondContact O-CG1 3.42Å; S830-V833 PolarHBondContact O-N 3.5Å; S830-V833 VanDerWaalsContact O-N 3.08Å; P831-V833 VanDerWaalsContact C-N 3.33Å; V833-Y841 HydrophobicContact CG2-CD2 4.42Å
834	H	92.6	Very high	84.7	Confident	72 Å²	72	42 Å²	42	33%	0.333	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-138.7	-178.1	-178.2	-151.7	-81.3	0	0	0	110.8	V707 R708 S832 D905	V707-H834 CarbonylContact C-O 3.49Å; V707-H834 WeakPolarHBondContact CA-O 3.41Å; R708-H834 PolarHBondContact N-O 3.46Å; R708-H834 PolarHBondContact O-N 3.39Å; S832-H834 PolarHBondContact O-N 2.9Å; H834-D905 IonicContact CE1-OD2 3.98Å; H834-D905 IonicContact NE2-OD2 3.4Å; H834-D905 PolarHBondContact NE2-OD2 3.41Å
835	G	91	Very high	85.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	121.9	-178.9	-179.4	0	0	0	0	0	110.5	L706 L837 Q839 Y911	L706-G835 CarbonylContact O-C 3.56Å; G835-L837 PolarHBondContact O-N 3.13Å; G835-Q839 WeakPolarHBondContact O-CG 3.28Å; G835-Q839 PolarHBondContact O-N 2.99Å; G835-Q839 PolarHBondContact O-NE2 3.19Å; G835-Y911 VanDerWaalsContact C-CE1 3.46Å
836	L	89.7	Confident	85.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.9	179.1	-75.7	168.4	0	0	0	113.6	I696 F704 N705 L706 F840 I904 Y911	I696-L836 HydrophobicContact CD1-CD1 3.36Å; I696-L836 HydrophobicContact CD1-CD2 3.44Å; I696-L836 VanDerWaalsContact CD1-CD2 3.44Å; I696-L836 HydrophobicContact CD1-CG 3.92Å; F704-L836 HydrophobicContact CB-CD1 3.7Å; F704-L836 HydrophobicContact CD1-CD1 3.82Å; F704-L836 HydrophobicContact CG-CD1 3.93Å; N705-L836 WeakPolarHBondContact O-CG 3.38Å; N705-L836 PolarHBondContact O-N 3.47Å; N705-L836 VanDerWaalsContact O-N 3.14Å; L706-L836 HydrophobicContact CD2-CB 4.27Å; L706-L836 HydrophobicContact CD2-CD1 4.02Å; L706-L836 PolarHBondContact O-N 2.8Å; L836-F840 VanDerWaalsContact O-CE2 3.29Å; L836-F840 WeakPolarHBondContact O-CE2 3.46Å; L836-I904 HydrophobicContact CD2-CD1 4.21Å; L836-Y911 HydrophobicContact CD1-CG 4.37Å; L836-Y911 HydrophobicContact CD2-CD1 4.01Å; L836-Y911 HydrophobicContact CD2-CD2 3.43Å; L836-Y911 VanDerWaalsContact CD2-CD2 3.43Å; L836-Y911 HydrophobicContact CD2-CE1 4.36Å; L836-Y911 HydrophobicContact CD2-CE2 3.86Å; L836-Y911 HydrophobicContact CD2-CG 3.53Å; L836-Y911 HydrophobicContact CG-CD1 3.79Å; L836-Y911 HydrophobicContact CG-CD2 4.05Å; L836-Y911 HydrophobicContact CG-CE1 4.41Å; L836-Y911 HydrophobicContact CG-CG 3.56Å
837	L	89.3	Confident	86.2	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.068	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-39.4	174.6	-69.9	176.3	0	0	0	111.8	F681 L706 F821 G835 Q839 F840 Y841	F681-L837 HydrophobicContact CB-CD2 4.06Å; F681-L837 HydrophobicContact CD1-CD1 3.91Å; F681-L837 HydrophobicContact CD1-CD2 3.49Å; F681-L837 VanDerWaalsContact CD1-CD2 3.49Å; F681-L837 HydrophobicContact CD1-CG 3.87Å; F681-L837 HydrophobicContact CE1-CD1 3.9Å; F681-L837 HydrophobicContact CE1-CD2 4.13Å; F681-L837 HydrophobicContact CE1-CG 3.99Å; F681-L837 HydrophobicContact CG-CD2 3.92Å; L706-L837 PolarHBondContact O-N 3.05Å; F821-L837 HydrophobicContact CD1-CD1 3.94Å; F821-L837 HydrophobicContact CE1-CD1 4.27Å; G835-L837 PolarHBondContact O-N 3.13Å; L837-Q839 PolarHBondContact O-N 3.2Å; L837-Q839 VanDerWaalsContact O-N 3.12Å; L837-F840 PolarHBondContact O-N 3.39Å; L837-Y841 HydrophobicContact CB-CE1 4.18Å; L837-Y841 WeakPolarHBondContact CB-OH 3.19Å
838	G	87.6	Confident	86.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.4	-36	-174.6	0	0	0	0	0	114.3	L706 F840 Y841	L706-G838 PolarHBondContact O-N 2.88Å; L706-G838 VanDerWaalsContact O-N 3.16Å; G838-F840 PolarHBondContact O-N 2.89Å; G838-Y841 PolarHBondContact O-N 3.23Å; G838-Y841 VanDerWaalsContact O-N 3.12Å
839	Q	89.8	Confident	86.8	Confident	21 Å²	21	43.7 Å²	43.7	10%	0.098	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62.5	-10.1	-179.5	73	-175.2	-83.3	0	0	115.1	G835 L837 D905 Y911	G835-Q839 WeakPolarHBondContact O-CG 3.28Å; G835-Q839 PolarHBondContact O-N 2.99Å; G835-Q839 PolarHBondContact O-NE2 3.19Å; L837-Q839 PolarHBondContact O-N 3.2Å; L837-Q839 VanDerWaalsContact O-N 3.12Å; Q839-D905 PolarHBondContact OE1-OD2 2.66Å; Q839-Y911 PolarHBondContact NE2-OH 3.2Å
840	F	87.8	Confident	86.8	Confident	5 Å²	5	48.1 Å²	48.1	2%	0.022	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-108.3	-4.2	-179.7	-53.5	-69	0	0	0	113.5	I683 F694 L836 L837 G838 H842 G843 I844 L903 I904	I683-F840 HydrophobicContact CD1-CB 4.4Å; I683-F840 HydrophobicContact CD1-CD1 4.23Å; I683-F840 HydrophobicContact CD1-CD2 3.29Å; I683-F840 HydrophobicContact CD1-CE1 4.35Å; I683-F840 HydrophobicContact CD1-CE2 3.43Å; I683-F840 VanDerWaalsContact CD1-CE2 3.43Å; I683-F840 HydrophobicContact CD1-CG 3.72Å; I683-F840 HydrophobicContact CD1-CZ 3.97Å; I683-F840 HydrophobicContact CG1-CD2 4.11Å; I683-F840 HydrophobicContact CG1-CG 4.46Å; I683-F840 HydrophobicContact CG2-CB 3.79Å; I683-F840 HydrophobicContact CG2-CG 4.21Å; F694-F840 HydrophobicContact CE1-CE2 4.42Å; L836-F840 VanDerWaalsContact O-CE2 3.29Å; L836-F840 WeakPolarHBondContact O-CE2 3.46Å; L837-F840 PolarHBondContact O-N 3.39Å; G838-F840 PolarHBondContact O-N 2.89Å; F840-H842 VanDerWaalsContact C-N 3.3Å; F840-H842 PolarHBondContact O-N 3.33Å; F840-G843 PolarHBondContact O-N 2.93Å; F840-I844 HydrophobicContact CD1-CB 4.3Å; F840-I844 HydrophobicContact CD1-CD1 3.98Å; F840-I844 HydrophobicContact CD1-CG2 4.22Å; F840-I844 HydrophobicContact CE1-CD1 3.79Å; F840-L903 HydrophobicContact CE1-CD1 4.12Å; F840-L903 HydrophobicContact CE1-CG 3.95Å; F840-L903 HydrophobicContact CZ-CD2 4.3Å; F840-L903 HydrophobicContact CZ-CG 3.91Å; F840-I904 HydrophobicContact CE2-CG2 4.34Å; F840-I904 HydrophobicContact CZ-CG2 4.07Å
841	Y	86.3	Confident	86.7	Confident	30 Å²	30	53.1 Å²	53.1	12%	0.118	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.2	-171.6	-71.2	-12.8	0	0	0	115.1	V707 T823 T826 L829 V833 L837 G838	V707-Y841 HydrophobicContact CG1-CE2 4.25Å; V707-Y841 HydrophobicContact CG2-CE2 3.81Å; T823-Y841 HydrophobicContact CG2-CE2 3.85Å; T823-Y841 WeakPolarHBondContact CG2-OH 3.39Å; T823-Y841 WeakPolarHBondContact OG1-CE1 3.21Å; T823-Y841 VanDerWaalsContact OG1-CZ 3.27Å; T823-Y841 PolarHBondContact OG1-OH 2.95Å; T823-Y841 VanDerWaalsContact OG1-OH 3.04Å; T826-Y841 HydrophobicContact CG2-CD1 3.67Å; T826-Y841 HydrophobicContact CG2-CD2 4.02Å; T826-Y841 HydrophobicContact CG2-CE1 3.92Å; T826-Y841 HydrophobicContact CG2-CE2 4.26Å; T826-Y841 HydrophobicContact CG2-CG 3.73Å; L829-Y841 HydrophobicContact CD1-CD2 3.5Å; L829-Y841 HydrophobicContact CD1-CE2 3.81Å; V833-Y841 HydrophobicContact CG2-CD2 4.42Å; L837-Y841 HydrophobicContact CB-CE1 4.18Å; L837-Y841 WeakPolarHBondContact CB-OH 3.19Å; G838-Y841 PolarHBondContact O-N 3.23Å; G838-Y841 VanDerWaalsContact O-N 3.12Å
842	H	82.2	Confident	86.6	Confident	104 Å²	104	51.4 Å²	51.4	48%	0.481	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	19.2	169.9	-67.1	-65.7	0	0	0	113	L829 S830 F840	L829-H842 PolarHBondContact O-CE1 3.17Å; L829-H842 PolarHBondContact O-NE2 3.28Å; S830-H842 VanDerWaalsContact C-NE2 3.35Å; S830-H842 PolarHBondContact O-NE2 3.44Å; F840-H842 VanDerWaalsContact C-N 3.3Å; F840-H842 PolarHBondContact O-N 3.33Å
843	G	76.7	Confident	86.3	Confident	35 Å²	35	55.4 Å²	55.4	36%	0.361	29%	0.289	S	S	.	.			trans	86.7	161.2	178.7	0	0	0	0	0	114	F840	F840-G843 PolarHBondContact O-N 2.93Å
844	I	82.1	Confident	85.6	Confident	22 Å²	22	56 Å²	56	11%	0.113	30%	0.297	C	S	.	.			trans	-142.8	135.5	174.1	-175	176.4	0	0	0	108.7	L685 L692 F840 K867 L903	L685-I844 HydrophobicContact CD1-CG2 3.42Å; L685-I844 VanDerWaalsContact CD1-CG2 3.42Å; L685-I844 HydrophobicContact CD2-CG2 3.59Å; L685-I844 HydrophobicContact CG-CG2 4.13Å; L692-I844 HydrophobicContact CD1-CG2 4.11Å; F840-I844 HydrophobicContact CD1-CB 4.3Å; F840-I844 HydrophobicContact CD1-CD1 3.98Å; F840-I844 HydrophobicContact CD1-CG2 4.22Å; F840-I844 HydrophobicContact CE1-CD1 3.79Å; I844-K867 HydrophobicContact CD1-CD 4.14Å; I844-K867 HydrophobicContact CD1-CG 3.97Å; I844-K867 HydrophobicContact CG1-CG 4.33Å; I844-L903 HydrophobicContact CD1-CD1 3.61Å
845	E	80.8	Confident	84.4	Confident	173 Å²	173	62.4 Å²	62.4	81%	0.808	33%	0.327	S	S	*	.			trans	-87.1	130.9	172.2	-65.9	-172.6	168.6	0	0	110.4
846	Y	86.5	Confident	83.4	Confident	10 Å²	10	64.3 Å²	64.3	4%	0.039	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	155.7	170.6	72	-79.9	0	0	0	111.2	L685 R688 D690 L692 V848 M864 F865	L685-Y846 HydrophobicContact CD1-CD1 3.94Å; L685-Y846 HydrophobicContact CD1-CE1 3.51Å; R688-Y846 PolarHBondContact NH1-O 3.45Å; D690-Y846 WeakPolarHBondContact CB-OH 3.48Å; L692-Y846 HydrophobicContact CD1-CD1 4.17Å; L692-Y846 HydrophobicContact CD1-CE1 4.31Å; L692-Y846 HydrophobicContact CD2-CD1 4.45Å; L692-Y846 HydrophobicContact CD2-CD2 4.33Å; L692-Y846 HydrophobicContact CD2-CE1 4.16Å; L692-Y846 HydrophobicContact CD2-CE2 4Å; L692-Y846 HydrophobicContact CG-CE1 4.33Å; Y846-V848 HydrophobicContact CD2-CG2 3.76Å; Y846-V848 HydrophobicContact CE2-CG2 3.67Å; Y846-M864 HydrophobicContact CD2-CE 3.67Å; Y846-M864 HydrophobicContact CD2-CG 3.97Å; Y846-M864 HydrophobicContact CD2-SD 3.95Å; Y846-M864 HydrophobicContact CE2-CE 3.84Å; Y846-M864 HydrophobicContact CG-CG 4.46Å; Y846-M864 HydrophobicContact CG-SD 4.32Å; Y846-F865 CarbonylContact C-O 3.49Å; Y846-F865 WeakPolarHBondContact CA-O 3.21Å; Y846-F865 WeakPolarHBondContact CB-O 3.41Å
847	E	86.3	Confident	82.4	Confident	134 Å²	134	71 Å²	71	63%	0.626	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	138.1	173.6	-67	-173.8	168.5	0	0	109.6	M864 F865	E847-M864 CarbonylContact O-C 3.58Å; E847-M864 VanDerWaalsContact O-CA 3.28Å; E847-M864 WeakPolarHBondContact O-CA 3.49Å; E847-F865 PolarHBondContact N-O 2.88Å; E847-F865 PolarHBondContact O-N 3.44Å
848	V	87.3	Confident	81.3	Confident	48 Å²	48	77.7 Å²	77.7	29%	0.291	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.4	176.2	-175.8	0	0	0	0	108.8	Y846 A862 T863 M864 W894	Y846-V848 HydrophobicContact CD2-CG2 3.76Å; Y846-V848 HydrophobicContact CE2-CG2 3.67Å; V848-A862 HydrophobicContact CG1-CB 3.46Å; V848-A862 VanDerWaalsContact CG1-CB 3.46Å; V848-T863 WeakPolarHBondContact CA-O 3.39Å; V848-M864 HydrophobicContact CG2-CB 4.37Å; V848-M864 HydrophobicContact CG2-CE 3.8Å; V848-M864 HydrophobicContact CG2-CG 4.32Å; V848-W894 HydrophobicContact CG1-CH2 4.13Å; V848-W894 HydrophobicContact CG1-CZ2 3.89Å
849	T	85.5	Confident	81	Confident	61 Å²	61	83 Å²	83	37%	0.374	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	167.1	-176.8	60.3	0	0	0	0	110.1	T863 F865	T849-T863 PolarHBondContact N-O 3Å; T849-T863 WeakPolarHBondContact O-CA 3.27Å; T849-T863 WeakPolarHBondContact O-CB 3.23Å; T849-T863 PolarHBondContact O-N 3.09Å; T849-T863 VanDerWaalsContact O-O 3.12Å; T849-T863 PolarHBondContact OG1-O 3.26Å; T849-F865 WeakPolarHBondContact OG1-CE2 3.46Å
850	D	85	Confident	80.8	Confident	97 Å²	97	83.8 Å²	83.8	52%	0.519	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.5	61.6	174.8	-162.6	10.3	0	0	0	113.6	R852 A862	D850-R852 PolarHBondContact O-N 3.16Å; D850-R852 WeakPolarHBondContact OD1-CG 3.5Å; D850-R852 IonicContact OD1-NH1 3.14Å; D850-R852 IonicContact OD2-CZ 2.77Å; D850-R852 IonicContact OD2-NH1 3.63Å; D850-R852 PolarHBondContact OD2-NH1 3.44Å; D850-A862 WeakPolarHBondContact O-CA 3.18Å
851	L	85.6	Confident	80.7	Confident	121 Å²	121	85.3 Å²	85.3	63%	0.634	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.7	172	-85.3	153.2	0	0	0	110.2	P860 A862 W894	L851-P860 HydrophobicContact CD2-CB 4.41Å; L851-A862 HydrophobicContact CD2-CB 4.27Å; L851-A862 HydrophobicContact CG-CB 4.41Å; L851-W894 HydrophobicContact CD2-CH2 3.73Å; L851-W894 HydrophobicContact CD2-CZ2 4.42Å
852	R	86.4	Confident	81	Confident	79 Å²	79	83.9 Å²	83.9	30%	0.298	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.9	-175.6	-61.7	167.8	-59.3	-123.5	-3.9	110.1	D850 G854 P860 D861 T863 N872	D850-R852 PolarHBondContact O-N 3.16Å; D850-R852 WeakPolarHBondContact OD1-CG 3.5Å; D850-R852 IonicContact OD1-NH1 3.14Å; D850-R852 IonicContact OD2-CZ 2.77Å; D850-R852 IonicContact OD2-NH1 3.63Å; D850-R852 PolarHBondContact OD2-NH1 3.44Å; R852-G854 PolarHBondContact O-N 2.91Å; R852-P860 CarbonylContact O-C 3.58Å; R852-P860 WeakPolarHBondContact O-CA 3.32Å; R852-D861 PolarHBondContact N-O 3.37Å; R852-D861 PolarHBondContact O-N 3.37Å; R852-D861 VanDerWaalsContact O-O 3.13Å; R852-T863 PolarHBondContact NH1-OG1 3.46Å; R852-T863 PolarHBondContact NH2-OG1 2.88Å; R852-T863 VanDerWaalsContact NH2-OG1 3.12Å; R852-N872 PolarHBondContact NH2-OD1 3.24Å; R852-N872 VanDerWaalsContact NH2-OD1 3.09Å
853	P	82.3	Confident	81.4	Confident	130 Å²	130	79.2 Å²	79.2	84%	0.844	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	124.8	173.8	-19.2	31.3	0	0	0	110.3
854	G	77.1	Confident	82.1	Confident	20 Å²	20	77.6 Å²	77.6	21%	0.206	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-167.6	174	0	0	0	0	0	112.2	R852 S856 K859	R852-G854 PolarHBondContact O-N 2.91Å; G854-S856 PolarHBondContact O-N 2.89Å; G854-K859 VanDerWaalsContact CA-O 3.27Å; G854-K859 WeakPolarHBondContact CA-O 3.34Å
855	E	67.4	Low	82.4	Confident	207 Å²	207	80.5 Å²	80.5	97%	0.967	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	-23.3	-175.7	-71.1	-171.3	156.5	0	0	114.4
856	S	70.1	Confident	82.7	Confident	41 Å²	41	72.3 Å²	72.3	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.5	173.2	59.1	0	0	0	0	110.2	G854 E858 K859	G854-S856 PolarHBondContact O-N 2.89Å; S856-E858 PolarHBondContact O-N 2.9Å; S856-K859 CarbonylContact O-C 3.57Å; S856-K859 PolarHBondContact O-N 2.84Å; S856-K859 WeakPolarHBondContact OG-CB 3.15Å; S856-K859 WeakPolarHBondContact OG-CG 3.19Å
857	P	68.3	Low	82.5	Confident	139 Å²	139	75.4 Å²	75.4	90%	0.903	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.8	-179.3	-24.8	33.7	0	0	0	114
858	E	66.6	Low	82.2	Confident	155 Å²	155	73.1 Å²	73.1	72%	0.724	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.8	-179.2	-61.6	178.2	-178.8	0	0	113.5	S856	S856-E858 PolarHBondContact O-N 2.9Å
859	K	80	Confident	82.1	Confident	112 Å²	112	75.9 Å²	75.9	49%	0.487	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	71	-179.5	-61.6	-176.5	-178.8	-176.4	0	111.6	G854 S856 T874 R875	G854-K859 VanDerWaalsContact CA-O 3.27Å; G854-K859 WeakPolarHBondContact CA-O 3.34Å; S856-K859 CarbonylContact O-C 3.57Å; S856-K859 PolarHBondContact O-N 2.84Å; S856-K859 WeakPolarHBondContact OG-CB 3.15Å; S856-K859 WeakPolarHBondContact OG-CG 3.19Å; K859-T874 HydrophobicContact CB-CG2 3.94Å; K859-R875 VanDerWaalsContact CA-O 3.23Å; K859-R875 WeakPolarHBondContact CA-O 3.41Å; K859-R875 WeakPolarHBondContact CB-O 3.33Å
860	P	85.6	Confident	82.2	Confident	37 Å²	37	79.4 Å²	79.4	24%	0.24	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.1	175.9	26.8	-34.4	0	0	0	111.6	L851 R852 R875	L851-P860 HydrophobicContact CD2-CB 4.41Å; R852-P860 CarbonylContact O-C 3.58Å; R852-P860 WeakPolarHBondContact O-CA 3.32Å; P860-R875 HydrophobicContact CG-CB 3.82Å; P860-R875 PolarHBondContact O-N 3.45Å
861	D	87.8	Confident	82.5	Confident	36 Å²	36	75.7 Å²	75.7	19%	0.193	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	150.9	171.8	-70.6	-34.7	0	0	0	110.2	R852 V873 T874	R852-D861 PolarHBondContact N-O 3.37Å; R852-D861 PolarHBondContact O-N 3.37Å; R852-D861 VanDerWaalsContact O-O 3.13Å; D861-V873 CarbonylContact C-O 3.47Å; D861-V873 WeakPolarHBondContact CA-O 3.45Å; D861-T874 VanDerWaalsContact OD1-CB 3.31Å; D861-T874 WeakPolarHBondContact OD1-CB 3.27Å; D861-T874 WeakPolarHBondContact OD1-CG2 3.33Å; D861-T874 PolarHBondContact OD1-OG1 2.98Å
862	A	91.1	Very high	82.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	167.2	176.6	0	0	0	0	0	111.6	V848 D850 L851 N872 V873 W894	V848-A862 HydrophobicContact CG1-CB 3.46Å; V848-A862 VanDerWaalsContact CG1-CB 3.46Å; D850-A862 WeakPolarHBondContact O-CA 3.18Å; L851-A862 HydrophobicContact CD2-CB 4.27Å; L851-A862 HydrophobicContact CG-CB 4.41Å; A862-N872 PolarHBondContact O-OD1 3.14Å; A862-V873 HydrophobicContact CB-CG2 4.1Å; A862-V873 PolarHBondContact N-O 3.02Å; A862-V873 WeakPolarHBondContact O-CG2 3.34Å; A862-V873 PolarHBondContact O-N 2.91Å; A862-W894 HydrophobicContact CB-CE3 4.43Å; A862-W894 HydrophobicContact CB-CH2 3.72Å; A862-W894 HydrophobicContact CB-CZ3 3.58Å
863	T	90.1	Very high	82.8	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.043	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.6	174.7	-53	0	0	0	0	109.3	V848 T849 R852 F865 Q870 L871	V848-T863 WeakPolarHBondContact CA-O 3.39Å; T849-T863 PolarHBondContact N-O 3Å; T849-T863 WeakPolarHBondContact O-CA 3.27Å; T849-T863 WeakPolarHBondContact O-CB 3.23Å; T849-T863 PolarHBondContact O-N 3.09Å; T849-T863 VanDerWaalsContact O-O 3.12Å; T849-T863 PolarHBondContact OG1-O 3.26Å; R852-T863 PolarHBondContact NH1-OG1 3.46Å; R852-T863 PolarHBondContact NH2-OG1 2.88Å; R852-T863 VanDerWaalsContact NH2-OG1 3.12Å; T863-F865 HydrophobicContact CG2-CE2 3.93Å; T863-F865 HydrophobicContact CG2-CZ 4.11Å; T863-Q870 HydrophobicContact CG2-CG 3.36Å; T863-L871 CarbonylContact C-O 3.51Å; T863-L871 WeakPolarHBondContact CA-O 3.33Å
864	M	91.4	Very high	83.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	176.4	179.8	179.9	-69.9	0	0	110.8	L692 Y846 E847 V848 A866 Q870 L871 V873 W894	L692-M864 HydrophobicContact CD2-CE 3.32Å; L692-M864 HydrophobicContact CD2-SD 3.9Å; Y846-M864 HydrophobicContact CD2-CE 3.67Å; Y846-M864 HydrophobicContact CD2-CG 3.97Å; Y846-M864 HydrophobicContact CD2-SD 3.95Å; Y846-M864 HydrophobicContact CE2-CE 3.84Å; Y846-M864 HydrophobicContact CG-CG 4.46Å; Y846-M864 HydrophobicContact CG-SD 4.32Å; E847-M864 CarbonylContact O-C 3.58Å; E847-M864 VanDerWaalsContact O-CA 3.28Å; E847-M864 WeakPolarHBondContact O-CA 3.49Å; V848-M864 HydrophobicContact CG2-CB 4.37Å; V848-M864 HydrophobicContact CG2-CE 3.8Å; V848-M864 HydrophobicContact CG2-CG 4.32Å; M864-A866 HydrophobicContact CG-CB 4.32Å; M864-A866 HydrophobicContact SD-CB 4.45Å; M864-Q870 CarbonylContact O-C 3.6Å; M864-L871 HydrophobicContact CB-CB 4.32Å; M864-L871 PolarHBondContact N-O 3.48Å; M864-L871 PolarHBondContact O-N 3.46Å; M864-V873 HydrophobicContact CB-CB 4.45Å; M864-V873 HydrophobicContact CB-CG1 3.72Å; M864-V873 HydrophobicContact CB-CG2 3.83Å; M864-V873 HydrophobicContact CE-CB 4.48Å; M864-V873 HydrophobicContact CE-CG1 4Å; M864-V873 HydrophobicContact CE-CG2 4.17Å; M864-V873 HydrophobicContact SD-CG1 4.05Å; M864-W894 HydrophobicContact CE-CB 3.56Å; M864-W894 HydrophobicContact CE-CG 3.87Å
865	F	88.8	Confident	83.5	Confident	83 Å²	83	66.6 Å²	66.6	36%	0.364	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.3	168.1	-67.4	-83.8	0	0	0	108.7	Y846 E847 T849 T863 H869 Q870	Y846-F865 CarbonylContact C-O 3.49Å; Y846-F865 WeakPolarHBondContact CA-O 3.21Å; Y846-F865 WeakPolarHBondContact CB-O 3.41Å; E847-F865 PolarHBondContact N-O 2.88Å; E847-F865 PolarHBondContact O-N 3.44Å; T849-F865 WeakPolarHBondContact OG1-CE2 3.46Å; T863-F865 HydrophobicContact CG2-CE2 3.93Å; T863-F865 HydrophobicContact CG2-CZ 4.11Å; F865-H869 WeakPolarHBondContact CA-O 3.26Å; F865-Q870 HydrophobicContact CD1-CB 3.99Å; F865-Q870 HydrophobicContact CD1-CG 4.16Å; F865-Q870 HydrophobicContact CE1-CB 3.64Å; F865-Q870 HydrophobicContact CE1-CG 3.55Å; F865-Q870 HydrophobicContact CZ-CB 4.38Å; F865-Q870 HydrophobicContact CZ-CG 3.78Å
866	A	87.1	Confident	83.9	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.4	178.7	0	0	0	0	0	109.3	M864 G868 H869 L871 L903	M864-A866 HydrophobicContact CG-CB 4.32Å; M864-A866 HydrophobicContact SD-CB 4.45Å; A866-G868 PolarHBondContact O-N 2.88Å; A866-H869 PolarHBondContact N-O 2.74Å; A866-H869 PolarHBondContact O-N 2.91Å; A866-L871 HydrophobicContact CB-CD1 4.34Å; A866-L903 HydrophobicContact CB-CD1 4.23Å
867	K	83.3	Confident	84.3	Confident	74 Å²	74	62.5 Å²	62.5	32%	0.322	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	39	-179.3	-65.9	-178.3	172.7	-173.6	0	113.9	I844 H869 D905	I844-K867 HydrophobicContact CD1-CD 4.14Å; I844-K867 HydrophobicContact CD1-CG 3.97Å; I844-K867 HydrophobicContact CG1-CG 4.33Å; K867-H869 PolarHBondContact O-N 2.75Å; K867-H869 PolarHBondContact O-ND1 2.84Å; K867-D905 WeakPolarHBondContact CD-OD1 3.32Å; K867-D905 IonicContact NZ-OD1 3.67Å; K867-D905 PolarHBondContact NZ-OD1 3.24Å; K867-D905 IonicContact NZ-OD2 3.97Å; K867-D905 PolarHBondContact NZ-OD2 2.95Å
868	G	79.6	Confident	84.5	Confident	86 Å²	86	57 Å²	57	89%	0.887	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.4	-179.2	0	0	0	0	0	115.9	A866	A866-G868 PolarHBondContact O-N 2.88Å
869	H	84.8	Confident	84.8	Confident	107 Å²	107	54.6 Å²	54.6	50%	0.495	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145.4	177.9	-64.6	82.1	0	0	0	111.2	F865 A866 K867 L871	F865-H869 WeakPolarHBondContact CA-O 3.26Å; A866-H869 PolarHBondContact N-O 2.74Å; A866-H869 PolarHBondContact O-N 2.91Å; K867-H869 PolarHBondContact O-N 2.75Å; K867-H869 PolarHBondContact O-ND1 2.84Å; H869-L871 HydrophobicContact CB-CD2 4.21Å
870	Q	89.1	Confident	84.4	Confident	135 Å²	135	49.4 Å²	49.4	63%	0.631	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	118.9	173.1	-172.2	178.8	-16.8	0	0	109.6	T863 M864 F865	T863-Q870 HydrophobicContact CG2-CG 3.36Å; M864-Q870 CarbonylContact O-C 3.6Å; F865-Q870 HydrophobicContact CD1-CB 3.99Å; F865-Q870 HydrophobicContact CD1-CG 4.16Å; F865-Q870 HydrophobicContact CE1-CB 3.64Å; F865-Q870 HydrophobicContact CE1-CG 3.55Å; F865-Q870 HydrophobicContact CZ-CB 4.38Å; F865-Q870 HydrophobicContact CZ-CG 3.78Å
871	L	89.9	Confident	83.7	Confident	19 Å²	19	49 Å²	49	10%	0.099	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139	-175	-50.1	177.4	0	0	0	109.7	T863 M864 A866 H869 V873 I896 S901 L903	T863-L871 CarbonylContact C-O 3.51Å; T863-L871 WeakPolarHBondContact CA-O 3.33Å; M864-L871 HydrophobicContact CB-CB 4.32Å; M864-L871 PolarHBondContact N-O 3.48Å; M864-L871 PolarHBondContact O-N 3.46Å; A866-L871 HydrophobicContact CB-CD1 4.34Å; H869-L871 HydrophobicContact CB-CD2 4.21Å; L871-V873 HydrophobicContact CB-CG1 4.27Å; L871-I896 HydrophobicContact CD1-CG2 4.32Å; L871-S901 WeakPolarHBondContact CD2-O 3.29Å; L871-L903 HydrophobicContact CD1-CB 4.12Å
872	N	88.8	Confident	82.6	Confident	88 Å²	88	50.7 Å²	50.7	47%	0.471	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.9	166.5	-165.8	40	0	0	0	108.2	R852 A862	R852-N872 PolarHBondContact NH2-OD1 3.24Å; R852-N872 VanDerWaalsContact NH2-OD1 3.09Å; A862-N872 PolarHBondContact O-OD1 3.14Å
873	V	89.8	Confident	81.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.8	-176.2	-63.8	0	0	0	0	110.5	D861 A862 M864 L871 W894 F895 I896	D861-V873 CarbonylContact C-O 3.47Å; D861-V873 WeakPolarHBondContact CA-O 3.45Å; A862-V873 HydrophobicContact CB-CG2 4.1Å; A862-V873 PolarHBondContact N-O 3.02Å; A862-V873 WeakPolarHBondContact O-CG2 3.34Å; A862-V873 PolarHBondContact O-N 2.91Å; M864-V873 HydrophobicContact CB-CB 4.45Å; M864-V873 HydrophobicContact CB-CG1 3.72Å; M864-V873 HydrophobicContact CB-CG2 3.83Å; M864-V873 HydrophobicContact CE-CB 4.48Å; M864-V873 HydrophobicContact CE-CG1 4Å; M864-V873 HydrophobicContact CE-CG2 4.17Å; M864-V873 HydrophobicContact SD-CG1 4.05Å; L871-V873 HydrophobicContact CB-CG1 4.27Å; V873-W894 HydrophobicContact CB-CB 4.42Å; V873-W894 HydrophobicContact CB-CE3 4.14Å; V873-W894 HydrophobicContact CG2-CB 4.48Å; V873-W894 HydrophobicContact CG2-CD2 4.14Å; V873-W894 HydrophobicContact CG2-CE3 3.52Å; V873-W894 HydrophobicContact CG2-CZ3 4.08Å; V873-F895 WeakPolarHBondContact CA-O 3.44Å; V873-I896 HydrophobicContact CG1-CG1 4.03Å
874	T	87.7	Confident	79.8	Confident	23 Å²	23	62.1 Å²	62.1	14%	0.141	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	178.1	-54.3	0	0	0	0	109.1	K859 D861 G876 F895 H897	K859-T874 HydrophobicContact CB-CG2 3.94Å; D861-T874 VanDerWaalsContact OD1-CB 3.31Å; D861-T874 WeakPolarHBondContact OD1-CB 3.27Å; D861-T874 WeakPolarHBondContact OD1-CG2 3.33Å; D861-T874 PolarHBondContact OD1-OG1 2.98Å; T874-G876 PolarHBondContact O-N 2.89Å; T874-F895 PolarHBondContact N-O 2.84Å; T874-F895 VanDerWaalsContact N-O 3.15Å; T874-F895 WeakPolarHBondContact O-CB 3.47Å; T874-F895 PolarHBondContact O-N 2.9Å; T874-H897 PolarHBondContact OG1-NE2 2.89Å
875	R	85.6	Confident	78.1	Confident	48 Å²	48	64.2 Å²	64.2	18%	0.181	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.5	173.6	-169.5	59.6	169	-179.9	-9.1	108.6	D690 K859 P860 P892 C893 W894	D690-R875 IonicContact OD1-CZ 3.81Å; D690-R875 IonicContact OD1-NH1 3.23Å; D690-R875 PolarHBondContact OD1-NH1 3Å; D690-R875 IonicContact OD1-NH2 3.53Å; D690-R875 PolarHBondContact OD1-NH2 3.46Å; K859-R875 VanDerWaalsContact CA-O 3.23Å; K859-R875 WeakPolarHBondContact CA-O 3.41Å; K859-R875 WeakPolarHBondContact CB-O 3.33Å; P860-R875 HydrophobicContact CG-CB 3.82Å; P860-R875 PolarHBondContact O-N 3.45Å; R875-P892 PolarHBondContact NH1-O 3.24Å; R875-C893 VanDerWaalsContact NH1-C 3.35Å; R875-C893 VanDerWaalsContact NH1-CA 3.34Å; R875-W894 HydrophobicContact CB-CE3 3.94Å; R875-W894 HydrophobicContact CB-CH2 3.81Å; R875-W894 HydrophobicContact CB-CZ2 4.45Å; R875-W894 HydrophobicContact CB-CZ3 3.54Å; R875-W894 HydrophobicContact CG-CH2 4.38Å; R875-W894 HydrophobicContact CG-CZ3 4.44Å
876	G	77.6	Confident	76.5	Confident	11 Å²	11	68.8 Å²	68.8	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.1	177.2	0	0	0	0	0	111.7	T874 C893	T874-G876 PolarHBondContact O-N 2.89Å; G876-C893 PolarHBondContact N-O 2.64Å; G876-C893 PolarHBondContact O-N 3.15Å; G876-C893 VanDerWaalsContact O-O 3.11Å
877	W	78.1	Confident	75.1	Confident	151 Å²	151	72.9 Å²	72.9	57%	0.572	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.1	168.6	-62.2	96.8	0	0	0	108.6	N890 V891 P892	W877-N890 HydrophobicContact CB-CB 4.41Å; W877-N890 HydrophobicContact CD2-CB 4.49Å; W877-N890 HydrophobicContact CE3-CB 3.87Å; W877-N890 WeakPolarHBondContact CZ3-O 3.21Å; W877-V891 WeakPolarHBondContact CA-O 3.42Å; W877-P892 HydrophobicContact CD2-CB 4.27Å; W877-P892 HydrophobicContact CE3-CB 3.79Å; W877-P892 HydrophobicContact CE3-CG 4.29Å; W877-P892 HydrophobicContact CH2-CB 3.91Å; W877-P892 HydrophobicContact CH2-CG 4.12Å; W877-P892 HydrophobicContact CZ2-CB 4.36Å; W877-P892 HydrophobicContact CZ3-CB 3.62Å; W877-P892 HydrophobicContact CZ3-CG 3.74Å
878	Q	73.1	Confident	74	Confident	22 Å²	22	69.9 Å²	69.9	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.6	172.9	-71.7	-61.6	-21.8	0	0	109.8	H680 I682 C693 N890 V891 C893	H680-Q878 PolarHBondContact CE1-OE1 2.94Å; H680-Q878 PolarHBondContact ND1-OE1 3.44Å; I682-Q878 HydrophobicContact CD1-CB 4.16Å; C693-Q878 HydrophobicContact CB-CG 4.25Å; Q878-N890 CarbonylContact O-C 3.56Å; Q878-V891 PolarHBondContact N-O 2.98Å; Q878-V891 PolarHBondContact O-N 3.38Å; Q878-C893 WeakPolarHBondContact CG-SG 3.36Å
879	R	72.6	Confident	73.4	Confident	105 Å²	105	68.5 Å²	68.5	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.8	179.1	-69.6	-171	-178.3	-157.3	7.6	110.8	F881 N887 D889	R879-F881 HydrophobicContact CB-CD2 4.4Å; R879-F881 HydrophobicContact CB-CE2 3.58Å; R879-F881 HydrophobicContact CB-CZ 3.69Å; R879-F881 HydrophobicContact CG-CZ 4.48Å; R879-N887 PolarHBondContact NH1-O 3.47Å; R879-D889 CarbonylContact C-O 3.56Å; R879-D889 WeakPolarHBondContact CA-O 3.27Å
880	D	71.4	Confident	72.8	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.2	171.5	-178.1	12.5	0	0	0	110.7	I682 R882 G888 D889 V891	I682-D880 HydrophobicContact CD1-CB 3.73Å; D880-R882 WeakPolarHBondContact OD1-CB 3.21Å; D880-R882 WeakPolarHBondContact OD1-CG 3.45Å; D880-R882 PolarHBondContact OD1-N 2.71Å; D880-R882 VanDerWaalsContact OD1-N 3.09Å; D880-R882 IonicContact OD1-NE 3.74Å; D880-R882 PolarHBondContact OD1-NE 3.18Å; D880-R882 VanDerWaalsContact OD1-NE 3.16Å; D880-R882 IonicContact OD2-CZ 3.42Å; D880-R882 IonicContact OD2-NE 3.38Å; D880-R882 PolarHBondContact OD2-NE 3.28Å; D880-R882 IonicContact OD2-NH2 2.57Å; D880-R882 PolarHBondContact OD2-NH2 3.47Å; D880-G888 CarbonylContact O-C 3.43Å; D880-G888 WeakPolarHBondContact O-CA 3.49Å; D880-D889 PolarHBondContact N-O 2.88Å; D880-D889 PolarHBondContact O-N 3.1Å; D880-V891 HydrophobicContact CB-CB 4.46Å; D880-V891 HydrophobicContact CB-CG2 3.52Å
881	F	69.9	Low	72.1	Confident	30 Å²	30	62.7 Å²	62.7	13%	0.132	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	2.7	-173.7	-61.8	-91.7	0	0	0	113.7	L804 H806 R879 R883 D884 V885 G888	L804-F881 VanDerWaalsContact CD1-C 3.47Å; L804-F881 HydrophobicContact CD1-CB 4Å; L804-F881 WeakPolarHBondContact CD1-O 3.3Å; H806-F881 VanDerWaalsContact CE1-CB 3.41Å; H806-F881 WeakPolarHBondContact CE1-CB 3.38Å; H806-F881 AromaticContact CE1-CD1 3.64Å; H806-F881 AromaticContact CE1-CD2 3.94Å; H806-F881 AromaticContact CE1-CG 3.38Å; H806-F881 WeakPolarHBondContact CE1-CG 3.1Å; R879-F881 HydrophobicContact CB-CD2 4.4Å; R879-F881 HydrophobicContact CB-CE2 3.58Å; R879-F881 HydrophobicContact CB-CZ 3.69Å; R879-F881 HydrophobicContact CG-CZ 4.48Å; F881-R883 PolarHBondContact O-N 3.03Å; F881-R883 VanDerWaalsContact O-N 3.15Å; F881-D884 WeakPolarHBondContact CA-O 3.49Å; F881-D884 WeakPolarHBondContact CD1-O 3.13Å; F881-D884 CarbonylContact O-C 3.56Å; F881-V885 PolarHBondContact O-N 2.75Å; F881-G888 VanDerWaalsContact CD1-N 3.34Å; F881-G888 VanDerWaalsContact CE1-CA 3.43Å
882	R	64.1	Low	71.7	Confident	71 Å²	71	63.7 Å²	63.7	27%	0.268	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.8	-179.7	-79.6	-179.9	-74.5	165.5	7.1	114	E684 Y822 D880	E684-R882 IonicContact OE1-CZ 3.73Å; E684-R882 IonicContact OE1-NH1 3.94Å; E684-R882 IonicContact OE1-NH2 3.85Å; E684-R882 PolarHBondContact OE1-NH2 3.02Å; E684-R882 IonicContact OE2-CZ 2.74Å; E684-R882 IonicContact OE2-NH1 3.23Å; E684-R882 PolarHBondContact OE2-NH1 3.39Å; E684-R882 IonicContact OE2-NH2 2.99Å; E684-R882 PolarHBondContact OE2-NH2 2.72Å; E684-R882 VanDerWaalsContact OE2-NH2 3.09Å; Y822-R882 HydrophobicContact CD1-CG 3.14Å; Y822-R882 HydrophobicContact CD2-CG 3.83Å; Y822-R882 HydrophobicContact CE1-CG 3.44Å; Y822-R882 VanDerWaalsContact CE1-CG 3.44Å; Y822-R882 HydrophobicContact CE2-CG 4.12Å; Y822-R882 HydrophobicContact CG-CG 3.3Å; D880-R882 WeakPolarHBondContact OD1-CB 3.21Å; D880-R882 WeakPolarHBondContact OD1-CG 3.45Å; D880-R882 PolarHBondContact OD1-N 2.71Å; D880-R882 VanDerWaalsContact OD1-N 3.09Å; D880-R882 IonicContact OD1-NE 3.74Å; D880-R882 PolarHBondContact OD1-NE 3.18Å; D880-R882 VanDerWaalsContact OD1-NE 3.16Å; D880-R882 IonicContact OD2-CZ 3.42Å; D880-R882 IonicContact OD2-NE 3.38Å; D880-R882 PolarHBondContact OD2-NE 3.28Å; D880-R882 IonicContact OD2-NH2 2.57Å; D880-R882 PolarHBondContact OD2-NH2 3.47Å
883	R	61.1	Low	71.5	Confident	203 Å²	203	59.5 Å²	59.5	77%	0.766	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-42.6	-176.2	-60.6	177.8	-179.8	174.7	2.8	112.2	F881 D889	F881-R883 PolarHBondContact O-N 3.03Å; F881-R883 VanDerWaalsContact O-N 3.15Å; R883-D889 WeakPolarHBondContact CB-OD2 3.38Å; R883-D889 WeakPolarHBondContact CD-OD2 3.08Å
884	D	62.5	Low	71.5	Confident	44 Å²	44	60.3 Å²	60.3	24%	0.235	28%	0.278	C	S	.	.			trans	-116.8	96.9	171.7	-173.5	-13.7	0	0	0	110.8	F881 K886 N887 G888	F881-D884 WeakPolarHBondContact CA-O 3.49Å; F881-D884 WeakPolarHBondContact CD1-O 3.13Å; F881-D884 CarbonylContact O-C 3.56Å; D884-K886 PolarHBondContact O-N 3.11Å; D884-K886 WeakPolarHBondContact OD1-CA 3.19Å; D884-K886 WeakPolarHBondContact OD1-CB 3.34Å; D884-K886 PolarHBondContact OD1-N 3.11Å; D884-N887 PolarHBondContact OD1-N 2.97Å; D884-N887 WeakPolarHBondContact OD2-CB 3.3Å; D884-N887 PolarHBondContact OD2-ND2 3.23Å; D884-G888 VanDerWaalsContact O-CA 3.32Å; D884-G888 WeakPolarHBondContact O-CA 2.94Å; D884-G888 PolarHBondContact O-N 2.99Å
885	V	55.9	Low	71.5	Confident	43 Å²	43	61 Å²	61	26%	0.261	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.9	-179.7	-169.6	0	0	0	0	112.5	L804 F881	L804-V885 HydrophobicContact CB-CG1 4.14Å; L804-V885 HydrophobicContact CD1-CB 4.47Å; L804-V885 HydrophobicContact CD1-CG1 4.23Å; L804-V885 HydrophobicContact CD1-CG2 3.94Å; L804-V885 HydrophobicContact CD2-CG1 4.29Å; L804-V885 HydrophobicContact CD2-CG2 3.76Å; L804-V885 HydrophobicContact CG-CG1 4.46Å; L804-V885 HydrophobicContact CG-CG2 4.42Å; F881-V885 PolarHBondContact O-N 2.75Å
886	K	54.4	Low	71.6	Confident	180 Å²	180	58.9 Å²	58.9	78%	0.783	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-43.3	-171.7	-167.7	-179.7	177.8	-170.9	0	112.1	D884	D884-K886 PolarHBondContact O-N 3.11Å; D884-K886 WeakPolarHBondContact OD1-CA 3.19Å; D884-K886 WeakPolarHBondContact OD1-CB 3.34Å; D884-K886 PolarHBondContact OD1-N 3.11Å
887	N	58.8	Low	71.9	Confident	87 Å²	87	61.9 Å²	61.9	47%	0.465	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-29.2	-176	-50.1	-52.6	0	0	0	113.6	R879 D884	R879-N887 PolarHBondContact NH1-O 3.47Å; D884-N887 PolarHBondContact OD1-N 2.97Å; D884-N887 WeakPolarHBondContact OD2-CB 3.3Å; D884-N887 PolarHBondContact OD2-ND2 3.23Å
888	G	60.2	Low	72.2	Confident	11 Å²	11	61.4 Å²	61.4	11%	0.113	29%	0.291	C	S	.	.			trans	74.6	135.1	-173.5	0	0	0	0	0	112.7	D880 F881 D884	D880-G888 CarbonylContact O-C 3.43Å; D880-G888 WeakPolarHBondContact O-CA 3.49Å; F881-G888 VanDerWaalsContact CD1-N 3.34Å; F881-G888 VanDerWaalsContact CE1-CA 3.43Å; D884-G888 VanDerWaalsContact O-CA 3.32Å; D884-G888 WeakPolarHBondContact O-CA 2.94Å; D884-G888 PolarHBondContact O-N 2.99Å
889	D	66.1	Low	72.7	Confident	58 Å²	58	62.9 Å²	62.9	31%	0.31	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.9	174.7	-70.7	-23.4	0	0	0	110.1	R879 D880 R883 V891	R879-D889 CarbonylContact C-O 3.56Å; R879-D889 WeakPolarHBondContact CA-O 3.27Å; D880-D889 PolarHBondContact N-O 2.88Å; D880-D889 PolarHBondContact O-N 3.1Å; R883-D889 WeakPolarHBondContact CB-OD2 3.38Å; R883-D889 WeakPolarHBondContact CD-OD2 3.08Å; D889-V891 PolarHBondContact O-N 3.08Å; D889-V891 VanDerWaalsContact O-N 3.15Å
890	N	72.3	Confident	73.2	Confident	99 Å²	99	57.9 Å²	57.9	53%	0.529	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	106.3	172.5	-72.7	-34.8	0	0	0	110	W877 Q878	W877-N890 HydrophobicContact CB-CB 4.41Å; W877-N890 HydrophobicContact CD2-CB 4.49Å; W877-N890 HydrophobicContact CE3-CB 3.87Å; W877-N890 WeakPolarHBondContact CZ3-O 3.21Å; Q878-N890 CarbonylContact O-C 3.56Å
891	V	74.2	Confident	73.8	Confident	20 Å²	20	61.2 Å²	61.2	12%	0.121	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.3	175.5	178.8	0	0	0	0	109.2	I682 W877 Q878 D880 D889 C893	I682-V891 HydrophobicContact CG2-CG1 4.47Å; W877-V891 WeakPolarHBondContact CA-O 3.42Å; Q878-V891 PolarHBondContact N-O 2.98Å; Q878-V891 PolarHBondContact O-N 3.38Å; D880-V891 HydrophobicContact CB-CB 4.46Å; D880-V891 HydrophobicContact CB-CG2 3.52Å; D889-V891 PolarHBondContact O-N 3.08Å; D889-V891 VanDerWaalsContact O-N 3.15Å; V891-C893 PolarHBondContact O-N 3.03Å
892	P	81	Confident	74.5	Confident	41 Å²	41	60.4 Å²	60.4	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121.1	176.3	33.2	-31	0	0	0	108.6	R875 W877	R875-P892 PolarHBondContact NH1-O 3.24Å; W877-P892 HydrophobicContact CD2-CB 4.27Å; W877-P892 HydrophobicContact CE3-CB 3.79Å; W877-P892 HydrophobicContact CE3-CG 4.29Å; W877-P892 HydrophobicContact CH2-CB 3.91Å; W877-P892 HydrophobicContact CH2-CG 4.12Å; W877-P892 HydrophobicContact CZ2-CB 4.36Å; W877-P892 HydrophobicContact CZ3-CB 3.62Å; W877-P892 HydrophobicContact CZ3-CG 3.74Å
893	C	85.8	Confident	75.7	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.1	-176.1	71	0	0	0	0	112	S691 C693 R875 G876 Q878 V891	S691-C893 CarbonylContact O-C 3.5Å; S691-C893 VanDerWaalsContact O-CA 3.24Å; S691-C893 WeakPolarHBondContact O-CA 3.19Å; S691-C893 WeakPolarHBondContact O-CB 3.46Å; C693-C893 HydrophobicContact CB-CB 3.72Å; C693-C893 WeakPolarHBondContact CB-SG 3.2Å; C693-C893 WeakPolarHBondContact SG-CB 3.4Å; C693-C893 CovalentContact SG-SG 2.02Å; C693-C893 PolarHBondContact SG-SG 3.17Å; R875-C893 VanDerWaalsContact NH1-C 3.35Å; R875-C893 VanDerWaalsContact NH1-CA 3.34Å; G876-C893 PolarHBondContact N-O 2.64Å; G876-C893 PolarHBondContact O-N 3.15Å; G876-C893 VanDerWaalsContact O-O 3.11Å; Q878-C893 WeakPolarHBondContact CG-SG 3.36Å; V891-C893 PolarHBondContact O-N 3.03Å
894	W	88.4	Confident	77.1	Confident	17 Å²	17	47.7 Å²	47.7	6%	0.064	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.8	169.2	-71.8	109.6	0	0	0	108.4	S691 L692 C693 V848 L851 A862 M864 V873 R875 I896	S691-W894 PolarHBondContact O-N 3.12Å; L692-W894 HydrophobicContact CD2-CB 4.16Å; C693-W894 PolarHBondContact N-O 3.43Å; C693-W894 PolarHBondContact SG-O 3.41Å; V848-W894 HydrophobicContact CG1-CH2 4.13Å; V848-W894 HydrophobicContact CG1-CZ2 3.89Å; L851-W894 HydrophobicContact CD2-CH2 3.73Å; L851-W894 HydrophobicContact CD2-CZ2 4.42Å; A862-W894 HydrophobicContact CB-CE3 4.43Å; A862-W894 HydrophobicContact CB-CH2 3.72Å; A862-W894 HydrophobicContact CB-CZ3 3.58Å; M864-W894 HydrophobicContact CE-CB 3.56Å; M864-W894 HydrophobicContact CE-CG 3.87Å; V873-W894 HydrophobicContact CB-CB 4.42Å; V873-W894 HydrophobicContact CB-CE3 4.14Å; V873-W894 HydrophobicContact CG2-CB 4.48Å; V873-W894 HydrophobicContact CG2-CD2 4.14Å; V873-W894 HydrophobicContact CG2-CE3 3.52Å; V873-W894 HydrophobicContact CG2-CZ3 4.08Å; R875-W894 HydrophobicContact CB-CE3 3.94Å; R875-W894 HydrophobicContact CB-CH2 3.81Å; R875-W894 HydrophobicContact CB-CZ2 4.45Å; R875-W894 HydrophobicContact CB-CZ3 3.54Å; R875-W894 HydrophobicContact CG-CH2 4.38Å; R875-W894 HydrophobicContact CG-CZ3 4.44Å; W894-I896 VanDerWaalsContact O-CD1 3.28Å; W894-I896 WeakPolarHBondContact O-CD1 3.33Å
895	F	87.4	Confident	78.3	Confident	37 Å²	37	48.7 Å²	48.7	16%	0.162	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.3	-178.2	-165.2	-89.6	0	0	0	110.9	H680 C693 N695 V873 T874 H897	H680-F895 AromaticContact CE1-CE2 3.7Å; H680-F895 AromaticContact ND1-CE2 3.63Å; C693-F895 HydrophobicContact CB-CD2 4.48Å; C693-F895 CarbonylContact O-C 3.56Å; C693-F895 VanDerWaalsContact O-CA 3.31Å; C693-F895 WeakPolarHBondContact O-CA 3.36Å; C693-F895 VanDerWaalsContact SG-CA 3.55Å; N695-F895 HydrophobicContact CB-CZ 4.45Å; V873-F895 WeakPolarHBondContact CA-O 3.44Å; T874-F895 PolarHBondContact N-O 2.84Å; T874-F895 VanDerWaalsContact N-O 3.15Å; T874-F895 WeakPolarHBondContact O-CB 3.47Å; T874-F895 PolarHBondContact O-N 2.9Å; F895-H897 AromaticContact CD1-CE1 3.7Å; F895-H897 AromaticContact CD1-ND1 3.62Å; F895-H897 AromaticContact CE1-ND1 3.79Å
896	I	88.4	Confident	79.8	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.9	176.6	-55.9	86	0	0	0	108.2	L692 C693 F694 L871 V873 W894 L903	L692-I896 HydrophobicContact CB-CD1 4.04Å; L692-I896 HydrophobicContact CD2-CD1 4.43Å; C693-I896 VanDerWaalsContact O-CD1 3.28Å; C693-I896 WeakPolarHBondContact O-CD1 3.26Å; C693-I896 PolarHBondContact O-N 3.45Å; F694-I896 HydrophobicContact CB-CB 4.14Å; L871-I896 HydrophobicContact CD1-CG2 4.32Å; V873-I896 HydrophobicContact CG1-CG1 4.03Å; W894-I896 VanDerWaalsContact O-CD1 3.28Å; W894-I896 WeakPolarHBondContact O-CD1 3.33Å; I896-L903 HydrophobicContact CD1-CD2 3.58Å; I896-L903 HydrophobicContact CG1-CB 4.43Å; I896-L903 HydrophobicContact CG1-CD2 3.87Å; I896-L903 HydrophobicContact CG2-CB 4.25Å
897	H	84.6	Confident	81.4	Confident	73 Å²	73	43 Å²	43	34%	0.338	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	174.5	-179.9	-60.9	-70.4	0	0	0	112.3	T874 F895 N899 G900	T874-H897 PolarHBondContact OG1-NE2 2.89Å; F895-H897 AromaticContact CD1-CE1 3.7Å; F895-H897 AromaticContact CD1-ND1 3.62Å; F895-H897 AromaticContact CE1-ND1 3.79Å; H897-N899 PolarHBondContact O-N 3.48Å; H897-G900 PolarHBondContact O-N 3.32Å
898	N	83	Confident	82.6	Confident	141 Å²	141	39.4 Å²	39.4	75%	0.754	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	57.2	50.1	173	-58.2	-36	0	0	0	114.6	G900 S901	N898-G900 VanDerWaalsContact C-N 3.27Å; N898-G900 PolarHBondContact O-N 3.48Å; N898-S901 VanDerWaalsContact O-CB 3.24Å; N898-S901 WeakPolarHBondContact O-CB 3.42Å; N898-S901 PolarHBondContact O-N 3.45Å; N898-S901 VanDerWaalsContact O-N 3.12Å
899	N	83.6	Confident	83.9	Confident	54 Å²	54	42 Å²	42	29%	0.289	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	56.6	33.8	178.5	-66.9	-16.3	0	0	0	114.9	N695 N697 H897 S901 A908	N695-N899 CarbonylContact O-C 3.57Å; N695-N899 WeakPolarHBondContact O-CA 3.43Å; N697-N899 PolarHBondContact N-OD1 2.8Å; N697-N899 VanDerWaalsContact N-OD1 3.14Å; N697-N899 PolarHBondContact O-ND2 3.41Å; H897-N899 PolarHBondContact O-N 3.48Å; N899-S901 VanDerWaalsContact C-N 3.27Å; N899-S901 PolarHBondContact O-N 3.16Å; N899-A908 HydrophobicContact CB-CB 4.36Å
900	G	84.1	Confident	85	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	74.2	14	-178.9	0	0	0	0	0	114.3	H897 N898 G902 L903 I904	H897-G900 PolarHBondContact O-N 3.32Å; N898-G900 VanDerWaalsContact C-N 3.27Å; N898-G900 PolarHBondContact O-N 3.48Å; G900-G902 PolarHBondContact O-N 3.03Å; G900-L903 WeakPolarHBondContact O-CA 3.46Å; G900-L903 WeakPolarHBondContact O-CB 3.28Å; G900-L903 PolarHBondContact O-N 3.36Å; G900-I904 PolarHBondContact O-N 3.23Å
901	S	84.6	Confident	85.9	Confident	72 Å²	72	40.9 Å²	40.9	50%	0.503	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-54	130.3	-179.1	-175.6	0	0	0	0	111.9	L871 N898 N899 L903	L871-S901 WeakPolarHBondContact CD2-O 3.29Å; N898-S901 VanDerWaalsContact O-CB 3.24Å; N898-S901 WeakPolarHBondContact O-CB 3.42Å; N898-S901 PolarHBondContact O-N 3.45Å; N898-S901 VanDerWaalsContact O-N 3.12Å; N899-S901 VanDerWaalsContact C-N 3.27Å; N899-S901 PolarHBondContact O-N 3.16Å; S901-L903 PolarHBondContact O-N 3.46Å
902	G	83.8	Confident	86.8	Confident	14 Å²	14	43 Å²	43	14%	0.144	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-10.9	-176.7	0	0	0	0	0	115.1	G900	G900-G902 PolarHBondContact O-N 3.03Å
903	L	88.6	Confident	87.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-44.6	164.1	179.4	69.7	0	0	0	111.2	I683 L692 F694 F840 I844 A866 L871 I896 G900 S901	I683-L903 HydrophobicContact CD1-CD2 4.5Å; L692-L903 HydrophobicContact CD1-CD1 3.89Å; L692-L903 HydrophobicContact CD1-CD2 4.32Å; F694-L903 HydrophobicContact CD1-CD2 4.21Å; F840-L903 HydrophobicContact CE1-CD1 4.12Å; F840-L903 HydrophobicContact CE1-CG 3.95Å; F840-L903 HydrophobicContact CZ-CD2 4.3Å; F840-L903 HydrophobicContact CZ-CG 3.91Å; I844-L903 HydrophobicContact CD1-CD1 3.61Å; A866-L903 HydrophobicContact CB-CD1 4.23Å; L871-L903 HydrophobicContact CD1-CB 4.12Å; I896-L903 HydrophobicContact CD1-CD2 3.58Å; I896-L903 HydrophobicContact CG1-CB 4.43Å; I896-L903 HydrophobicContact CG1-CD2 3.87Å; I896-L903 HydrophobicContact CG2-CB 4.25Å; G900-L903 WeakPolarHBondContact O-CA 3.46Å; G900-L903 WeakPolarHBondContact O-CB 3.28Å; G900-L903 PolarHBondContact O-N 3.36Å; S901-L903 PolarHBondContact O-N 3.46Å
904	I	90.7	Very high	87.5	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-80.2	149	174.4	67.6	178.2	0	0	0	110.9	F694 L836 F840 G900 G906 A908 Y911	F694-I904 HydrophobicContact CE2-CG2 3.91Å; F694-I904 HydrophobicContact CZ-CG2 3.81Å; L836-I904 HydrophobicContact CD2-CD1 4.21Å; F840-I904 HydrophobicContact CE2-CG2 4.34Å; F840-I904 HydrophobicContact CZ-CG2 4.07Å; G900-I904 PolarHBondContact O-N 3.23Å; I904-G906 PolarHBondContact O-N 3.41Å; I904-A908 HydrophobicContact CD1-CB 4.17Å; I904-Y911 HydrophobicContact CD1-CE2 4.24Å
905	D	88.7	Confident	87.6	Confident	66 Å²	66	49.7 Å²	49.7	35%	0.353	32%	0.316	S	S	.	.	S	Bend	trans	-70.4	118.5	173	-62.3	-34	0	0	0	110	H834 Q839 K867 Y911	H834-D905 IonicContact CE1-OD2 3.98Å; H834-D905 IonicContact NE2-OD2 3.4Å; H834-D905 PolarHBondContact NE2-OD2 3.41Å; Q839-D905 PolarHBondContact OE1-OD2 2.66Å; K867-D905 WeakPolarHBondContact CD-OD1 3.32Å; K867-D905 IonicContact NZ-OD1 3.67Å; K867-D905 PolarHBondContact NZ-OD1 3.24Å; K867-D905 IonicContact NZ-OD2 3.97Å; K867-D905 PolarHBondContact NZ-OD2 2.95Å; D905-Y911 VanDerWaalsContact O-CE2 3.22Å; D905-Y911 WeakPolarHBondContact O-CE2 3.33Å; D905-Y911 VanDerWaalsContact O-CZ 3.29Å; D905-Y911 PolarHBondContact O-OH 2.94Å
906	G	87.6	Confident	87.8	Confident	54 Å²	54	48.7 Å²	48.7	56%	0.557	31%	0.312	S	S	*	.	S	Bend	trans	79.3	-147.6	-177.5	0	0	0	0	0	114	I904	I904-G906 PolarHBondContact O-N 3.41Å
907	A	86.7	Confident	87.9	Confident	49 Å²	49	52.6 Å²	52.6	41%	0.405	33%	0.329	S	S	.	.			trans	-110.7	153.8	176.7	0	0	0	0	0	111.2	A909 D910 Y911	A907-A909 PolarHBondContact O-N 3.18Å; A907-D910 PolarHBondContact N-OD2 2.88Å; A907-D910 VanDerWaalsContact O-CB 3.3Å; A907-D910 WeakPolarHBondContact O-CB 3.37Å; A907-D910 PolarHBondContact O-N 3.49Å; A907-Y911 WeakPolarHBondContact O-CD2 3.47Å
908	A	85.2	Confident	87.9	Confident	12 Å²	12	50.4 Å²	50.4	10%	0.099	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-56	-25.7	177.6	0	0	0	0	0	113.5	I696 F704 N899 I904 D910 Y911	I696-A908 HydrophobicContact CG2-CB 4.2Å; F704-A908 WeakPolarHBondContact CE1-O 3.46Å; N899-A908 HydrophobicContact CB-CB 4.36Å; I904-A908 HydrophobicContact CD1-CB 4.17Å; A908-D910 VanDerWaalsContact C-N 3.28Å; A908-D910 PolarHBondContact O-N 3.36Å; A908-Y911 PolarHBondContact O-N 3.35Å
909	A	87.1	Confident	87.6	Confident	66 Å²	66	45.8 Å²	45.8	55%	0.545	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-66.8	-26	175.1	0	0	0	0	0	113.5	A907 Y911 V912	A907-A909 PolarHBondContact O-N 3.18Å; A909-Y911 PolarHBondContact O-N 3.13Å; A909-V912 WeakPolarHBondContact O-CB 3.09Å; A909-V912 WeakPolarHBondContact O-CG2 3.36Å; A909-V912 PolarHBondContact O-N 3.31Å
910	D	88.9	Confident	86.4	Confident	117 Å²	117	50.4 Å²	50.4	63%	0.626	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.6	-179.5	-58.5	-33.4	0	0	0	112.2	A907 A908	A907-D910 PolarHBondContact N-OD2 2.88Å; A907-D910 VanDerWaalsContact O-CB 3.3Å; A907-D910 WeakPolarHBondContact O-CB 3.37Å; A907-D910 PolarHBondContact O-N 3.49Å; A908-D910 VanDerWaalsContact C-N 3.28Å; A908-D910 PolarHBondContact O-N 3.36Å
911	Y	92.2	Very high	86.5	Confident	15 Å²	15	52.9 Å²	52.9	6%	0.059	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-94.6	6.7	177.7	-59.7	-91.3	0	0	0	112.8	F704 N705 G835 L836 Q839 I904 D905 A907 A908 A909	F704-Y911 CarbonylContact C-O 3.58Å; F704-Y911 WeakPolarHBondContact CA-O 3.43Å; N705-Y911 PolarHBondContact N-O 2.87Å; G835-Y911 VanDerWaalsContact C-CE1 3.46Å; L836-Y911 HydrophobicContact CD1-CG 4.37Å; L836-Y911 HydrophobicContact CD2-CD1 4.01Å; L836-Y911 HydrophobicContact CD2-CD2 3.43Å; L836-Y911 VanDerWaalsContact CD2-CD2 3.43Å; L836-Y911 HydrophobicContact CD2-CE1 4.36Å; L836-Y911 HydrophobicContact CD2-CE2 3.86Å; L836-Y911 HydrophobicContact CD2-CG 3.53Å; L836-Y911 HydrophobicContact CG-CD1 3.79Å; L836-Y911 HydrophobicContact CG-CD2 4.05Å; L836-Y911 HydrophobicContact CG-CE1 4.41Å; L836-Y911 HydrophobicContact CG-CG 3.56Å; Q839-Y911 PolarHBondContact NE2-OH 3.2Å; I904-Y911 HydrophobicContact CD1-CE2 4.24Å; D905-Y911 VanDerWaalsContact O-CE2 3.22Å; D905-Y911 WeakPolarHBondContact O-CE2 3.33Å; D905-Y911 VanDerWaalsContact O-CZ 3.29Å; D905-Y911 PolarHBondContact O-OH 2.94Å; A907-Y911 WeakPolarHBondContact O-CD2 3.47Å; A908-Y911 PolarHBondContact O-N 3.35Å; A909-Y911 PolarHBondContact O-N 3.13Å
912	V	92.1	Very high	86.6	Confident	65 Å²	65	51.9 Å²	51.9	39%	0.394	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.9	-179.9	177.2	0	0	0	0	110.8	T702 I703 F704 A909	T702-V912 HydrophobicContact CG2-CB 4.42Å; T702-V912 HydrophobicContact CG2-CG1 3.89Å; T702-V912 HydrophobicContact CG2-CG2 3.68Å; I703-V912 CarbonylContact O-C 3.54Å; I703-V912 VanDerWaalsContact O-CA 3.32Å; I703-V912 WeakPolarHBondContact O-CA 3.44Å; F704-V912 HydrophobicContact CD1-CG2 4.05Å; F704-V912 HydrophobicContact CE1-CG2 3.68Å; F704-V912 HydrophobicContact CZ-CG2 4.46Å; A909-V912 WeakPolarHBondContact O-CB 3.09Å; A909-V912 WeakPolarHBondContact O-CG2 3.36Å; A909-V912 PolarHBondContact O-N 3.31Å
913	V	92.3	Very high	86.7	Confident	35 Å²	35	54 Å²	54	21%	0.212	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	158.9	179.9	-62.1	0	0	0	0	112	I703 N705 N717	I703-V913 HydrophobicContact CB-CG2 3.97Å; I703-V913 HydrophobicContact CG2-CG2 3.52Å; I703-V913 PolarHBondContact O-N 3.23Å; N705-V913 HydrophobicContact CB-CG1 4.05Å; N717-V913 HydrophobicContact CB-CG2 4.27Å
914	S	88.8	Confident	86.6	Confident	113 Å²	113	57.2 Å²	57.2	79%	0.79	37%	0.367	S	S	*	.	S	Bend	trans	-81.7	-22.2	-174.9	59.7	0	0	0	0	114.3
915	S	91.7	Very high	86.4	Confident	51 Å²	51	60.4 Å²	60.4	36%	0.357	39%	0.388	S	S	.	.	S	Bend	trans	-148.7	150.5	-177.7	175	0	0	0	0	112.1	F917 T918	S915-F917 PolarHBondContact O-N 3.14Å; S915-F917 PolarHBondContact OG-N 2.74Å; S915-T918 WeakPolarHBondContact CA-OG1 3.3Å; S915-T918 WeakPolarHBondContact CB-OG1 3.04Å; S915-T918 PolarHBondContact N-OG1 3Å; S915-T918 VanDerWaalsContact N-OG1 3.12Å; S915-T918 WeakPolarHBondContact O-CB 3.48Å; S915-T918 PolarHBondContact O-N 2.75Å; S915-T918 VanDerWaalsContact O-N 3.16Å; S915-T918 PolarHBondContact O-OG1 3.15Å
916	L	90.9	Very high	86.2	Confident	16 Å²	16	60 Å²	60	8%	0.084	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.6	176	-77.1	170.9	0	0	0	113.2	I703 N717 Q719 R738 L751	I703-L916 HydrophobicContact CD1-CG 4.33Å; I703-L916 HydrophobicContact CG2-CD2 3.84Å; I703-L916 HydrophobicContact CG2-CG 4.36Å; N717-L916 HydrophobicContact CB-CD2 4.42Å; N717-L916 WeakPolarHBondContact CB-O 3.45Å; N717-L916 PolarHBondContact ND2-O 2.74Å; N717-L916 WeakPolarHBondContact O-CD2 3.17Å; Q719-L916 HydrophobicContact CB-CD2 4.04Å; R738-L916 HydrophobicContact CB-CD1 3.85Å; L751-L916 HydrophobicContact CD1-CD1 3.76Å
917	F	90.3	Very high	86.1	Confident	85 Å²	85	60.4 Å²	60.4	37%	0.373	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	18.9	-179.8	-58.8	-64.6	0	0	0	113	V742 L750 L751 S915 T919	V742-F917 HydrophobicContact CG2-CB 4.41Å; V742-F917 HydrophobicContact CG2-CD1 3.57Å; V742-F917 HydrophobicContact CG2-CE1 4.37Å; V742-F917 HydrophobicContact CG2-CG 4.48Å; L750-F917 WeakPolarHBondContact O-CE1 3.03Å; L751-F917 HydrophobicContact CB-CZ 3.97Å; L751-F917 HydrophobicContact CD1-CE2 4.48Å; L751-F917 HydrophobicContact CD1-CZ 4.19Å; S915-F917 PolarHBondContact O-N 3.14Å; S915-F917 PolarHBondContact OG-N 2.74Å; F917-T919 PolarHBondContact O-N 3.2Å
918	T	85.6	Confident	86.1	Confident	28 Å²	28	61.3 Å²	61.3	17%	0.172	38%	0.376	C	S	.	.			trans	-68.1	125.9	173.2	-46.9	0	0	0	0	108.9	N717 S915 V920	N717-T918 PolarHBondContact ND2-O 3.31Å; S915-T918 WeakPolarHBondContact CA-OG1 3.3Å; S915-T918 WeakPolarHBondContact CB-OG1 3.04Å; S915-T918 PolarHBondContact N-OG1 3Å; S915-T918 VanDerWaalsContact N-OG1 3.12Å; S915-T918 WeakPolarHBondContact O-CB 3.48Å; S915-T918 PolarHBondContact O-N 2.75Å; S915-T918 VanDerWaalsContact O-N 3.16Å; S915-T918 PolarHBondContact O-OG1 3.15Å; T918-V920 HydrophobicContact CG2-CB 4.21Å; T918-V920 HydrophobicContact CG2-CG2 4.08Å
919	T	76.5	Confident	86.2	Confident	43 Å²	43	65.4 Å²	65.4	26%	0.264	40%	0.399	S	S	.	.			trans	-116.9	15.5	179.1	66.7	0	0	0	0	113	F715 V742 Q744 F917	F715-T919 HydrophobicContact CB-CG2 4.47Å; F715-T919 HydrophobicContact CD2-CG2 4.15Å; F715-T919 VanDerWaalsContact CE1-O 3.28Å; F715-T919 WeakPolarHBondContact CE1-O 3.45Å; F715-T919 HydrophobicContact CG-CG2 4.18Å; V742-T919 HydrophobicContact CB-CG2 4.31Å; V742-T919 HydrophobicContact CG1-CG2 3.99Å; Q744-T919 HydrophobicContact CG-CG2 4.25Å; Q744-T919 PolarHBondContact NE2-OG1 3.07Å; F917-T919 PolarHBondContact O-N 3.2Å
920	V	57.7	Low	86.1	Confident	151 Å²	151	65.4 Å²	65.4	92%	0.915	39%	0.386	S	S	*	.			trans	-78.8	0	-175.7	-172.9	0	0	0	0	110.1	R708 T918	R708-V920 PolarHBondContact NE-O 3.04Å; R708-V920 PolarHBondContact NH2-OXT 3.26Å; T918-V920 HydrophobicContact CG2-CB 4.21Å; T918-V920 HydrophobicContact CG2-CG2 4.08Å

Retrieved 920 of 920 residues in 399.3 ms (Link to these results)

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