A0A096MX78_PAPAN Loading...

Inter-alpha-trypsin inhibitor heavy chain H1

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 (A0A2I3LMP3), UniProt , Accession A0A096MX78, Species PAPAN (Papio anubis, Olive baboon), Gene ITIH1, Length 911 aa.

						>A0A096MX78_PAPAN|A0A096MX78|ITIH1
MDGAMGLRGLLLCVYLVSLLVLQAMPALGSATGRSKSSEKRQAVDTAVDGVFIRSLKVNCKVTSRFAHYVVTSQVVNTANEAREVAFDVEIPKTAFISDFAITADGNAFIGDIKDKVTAWKQYRKAAISGENAGLVRASGRTMEQFTIHLTVNPQSKVTFQLTYEEVLKRKLKQYEIVIKVKPKQLVHHFEIDVDIFEPQGISKLDAQASFLPKELAAQTIKKSFSGKKGHVLFRPTVSQQQSCPTCSTSLLNGHFKVTYDVSRDKICDLLVANNHFAHFFAPQNLTNMNKNVVFVIDISGSMRGQKVKQTKEALLKILGDMQPGDYFDLVLFGSRVQSWKGSLVQASEANLQAAKDFVRRFSLDEATNLNGGLLQGIEILNQVQESLPELSNHASILIMLTDGDPTEGVTDRSQILKNVRNAIRGRFPLYNLGFGHNVDFNFLEVMSMENNGRAQRIYEDRDATQQLQGFYSQVAKPLLVDVDLQYPQDAVLALTQNRHKQYYEGSEIVVAGRIADNKQSSFKADVRAHGEGQEFSTTCLVDEEEMKKLLRERGHMLENHVERLWAYLTIQELLAKRMKVDGEERANLSSQALRMSLDYGFVTPLTSMSIRGMADQDGLKPIIDKPSEDSPPLEMLGPRRTFVLSALQPSPTRPSSNTQWLPDRVTGVDTDPHFIIHVPQKEDALCFNINEEPGVILSLVQDPNTGFSVNGQLIGNKARSPGQHDGTYFGRLGIANPATAFQLEVTPQNITLNPGSGGPVFSWRDQAMLRQDGVVVTINKKRNLVVSVDDGGTFEVVLHRVWKGSSVHQDFLGFYVLDSHRMSARTHGLLGQFFHPIGFEVSDIRPGSDPTKPDATMVVKNRRLTVTRGLQKDYSKDPRHGAKVSCWFIHNNGAGLIDGAYTDYIISDIF
					

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	35.9	Very low	30.6	Very low	222 Å²	222	143 Å²	143	100%	1.094	83%	0.829	S	S	*	*				0	62.8	0	-58.3	-175.9	85.8	0	0	106.3
2	D	32.2	Very low	30.3	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	82%	0.818	S	S	*	*				71.4	115.3	88	-60.9	-33.9	0	0	0	110.2
3	G	33.4	Very low	30.1	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	83%	0.826	S	S	*	*			cis	-144	149.8	3.1	0	0	0	0	0	110.1
4	A	32.5	Very low	30.1	Very low	100 Å²	100	139.1 Å²	139.1	83%	0.826	81%	0.812	S	S	*	*				64.7	127.6	86.1	0	0	0	0	0	111.8
5	M	31	Very low	30	Very low	184 Å²	184	143.1 Å²	143.1	91%	0.906	81%	0.81	S	S	*	*			cis	-163.5	146	15.3	-108	163.4	135.5	0	0	105.1
6	G	29.5	Very low	29.9	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	80%	0.804	S	S	*	*				69.3	143.9	83.5	0	0	0	0	0	112.3
7	L	30.1	Very low	29.8	Very low	153 Å²	153	141.9 Å²	141.9	80%	0.801	80%	0.803	S	S	*	*			cis	170.9	138.1	-1.6	-155.2	89.4	0	0	0	104.8
8	R	28.2	Very low	29.7	Very low	238 Å²	238	139.9 Å²	139.9	90%	0.898	80%	0.8	S	S	*	*			trans	42.8	137	144.1	-73.9	178.2	170.9	-171.7	-3	123.7
9	G	26.2	Very low	29.7	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	80%	0.8	S	S	*	*			trans	114.7	106.1	137.7	0	0	0	0	0	115.2
10	L	28.9	Very low	29.6	Very low	163 Å²	163	141.7 Å²	141.7	85%	0.853	80%	0.802	S	S	*	*				76.1	139.7	89	-114	127.5	0	0	0	115.9
11	L	29.1	Very low	29.6	Very low	144 Å²	144	140.2 Å²	140.2	75%	0.754	80%	0.796	S	S	*	*			trans	86	141.2	168.2	-60.4	130	0	0	0	115.3
12	L	27.3	Very low	29.2	Very low	134 Å²	134	136 Å²	136	70%	0.702	78%	0.777	S	S	*	*			cis	-170.3	140.9	13.6	-132.4	149.9	0	0	0	107.2
13	C	26.7	Very low	29.1	Very low	136 Å²	136	136.5 Å²	136.5	92%	0.919	77%	0.774	S	S	*	*			trans	-169.2	94	142.2	-106.2	0	0	0	0	109.5
14	V	30.1	Very low	28.7	Very low	104 Å²	104	138 Å²	138	63%	0.63	78%	0.781	S	S	*	*			trans	-130.3	150.8	166	-177.3	0	0	0	0	107.1
15	Y	29	Very low	28.6	Very low	199 Å²	199	142 Å²	142	78%	0.78	78%	0.784	S	S	*	*			trans	118.6	119.1	153.4	-77.1	-90.5	0	0	0	112.6
16	L	29	Very low	28.8	Very low	136 Å²	136	139.2 Å²	139.2	71%	0.712	78%	0.78	S	S	*	*			cis	120.3	171.6	33.5	-120.3	142.3	0	0	0	107.7
17	V	27.5	Very low	28.6	Very low	131 Å²	131	140.4 Å²	140.4	79%	0.794	78%	0.783	S	S	*	*			trans	106.5	120.8	173.5	-175.9	0	0	0	0	110.5
18	S	28.2	Very low	28.7	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	79%	0.79	S	S	*	*			cis	-169.8	158.3	13.7	36.2	0	0	0	0	112.3
19	L	30.1	Very low	28.6	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	79%	0.785	S	S	*	*			trans	-65.1	154.6	165.6	-87	90.2	0	0	0	114.6
20	L	27	Very low	28.8	Very low	161 Å²	161	137 Å²	137	84%	0.843	80%	0.795	S	S	*	*			trans	170.8	113	131.8	-89.9	149.4	0	0	0	108
21	V	29.4	Very low	28.7	Very low	110 Å²	110	133.2 Å²	133.2	67%	0.667	79%	0.787	S	S	*	*				86.7	125.8	74	171.6	0	0	0	0	114.8
22	L	27.5	Very low	28.7	Very low	134 Å²	134	133 Å²	133	70%	0.702	79%	0.792	S	S	*	*			trans	91.9	125	153.6	-108.6	79	0	0	0	123.2
23	Q	29.6	Very low	29	Very low	175 Å²	175	130.6 Å²	130.6	82%	0.818	80%	0.799	S	S	*	*			trans	75.6	116.1	139.1	-82.1	173.4	8.1	0	0	121.9
24	A	25.9	Very low	29	Very low	100 Å²	100	136 Å²	136	83%	0.826	80%	0.8	S	S	*	*				176.9	126.8	101.6	0	0	0	0	0	112.8
25	M	31.4	Very low	28.9	Very low	183 Å²	183	136.7 Å²	136.7	90%	0.901	81%	0.809	S	S	*	*			trans	-90.2	146	146.8	-75.1	-87.9	-178.5	0	0	106.3
26	P	34	Very low	28.9	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	82%	0.816	S	S	*	*				-143.9	-173.6	71.2	38.9	-18.1	0	0	0	110.8
27	A	24.7	Very low	28.9	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	82%	0.816	S	S	*	*			cis	-160.1	163.8	18.8	0	0	0	0	0	109.4
28	L	32.9	Very low	29.1	Very low	184 Å²	184	134.4 Å²	134.4	96%	0.963	81%	0.813	S	S	*	*			trans	-55.2	143.1	173.2	-93.6	68.9	0	0	0	114.4
29	G	25.9	Very low	29.3	Very low	77 Å²	77	138.4 Å²	138.4	79%	0.794	82%	0.82	S	S	*	*			trans	-161.7	103.8	158.5	0	0	0	0	0	110.6
30	S	30.8	Very low	29.5	Very low	127 Å²	127	140.1 Å²	140.1	89%	0.888	82%	0.821	S	S	*	*			trans	-75.6	139.8	-178.1	100.6	0	0	0	0	111.8
31	A	26.5	Very low	30	Very low	83 Å²	83	144.3 Å²	144.3	69%	0.686	83%	0.826	S	S	*	*			trans	-171	106.2	138.7	0	0	0	0	0	111.5
32	T	29.8	Very low	30.6	Very low	140 Å²	140	148 Å²	148	86%	0.859	84%	0.836	S	S	*	*			trans	47.9	112.6	140.6	57.5	0	0	0	0	119.6
33	G	32.1	Very low	31.9	Very low	82 Å²	82	146.1 Å²	146.1	85%	0.845	84%	0.839	S	S	*	*			trans	-70.5	154.9	179.8	0	0	0	0	0	116.1
34	R	27.9	Very low	33.5	Very low	249 Å²	249	140.8 Å²	140.8	94%	0.94	82%	0.819	S	S	*	*			trans	-143.3	103.1	149.8	-112.4	177.6	176.3	175.9	-0.7	106.9	K36	R34-K36 PolarHBondContact O-N 2.9Å
35	S	27.7	Very low	36	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	81%	0.811	S	S	*	*			trans	-67.1	115.2	172.1	59.4	0	0	0	0	108.9	S37	S35-S37 PolarHBondContact O-N 3.01Å; S35-S37 VanDerWaalsContact O-N 3.16Å
36	K	29	Very low	38.4	Very low	210 Å²	210	133.7 Å²	133.7	91%	0.913	77%	0.771	S	S	*	*			trans	-64.4	109.5	160.8	-81.3	-179.7	173.5	179.1	0	107.6	R34 S38	R34-K36 PolarHBondContact O-N 2.9Å; K36-S38 PolarHBondContact O-N 3.28Å
37	S	28.6	Very low	40.8	Very low	104 Å²	104	129 Å²	129	73%	0.727	74%	0.743	S	S	*	*			trans	-57.7	126.8	167.8	49.2	0	0	0	0	109.5	S35 E39	S35-S37 PolarHBondContact O-N 3.01Å; S35-S37 VanDerWaalsContact O-N 3.16Å; S37-E39 PolarHBondContact O-N 2.86Å
38	S	31.9	Very low	43.7	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	73%	0.726	S	S	*	*			trans	-60.7	120	164.2	64.4	0	0	0	0	108.6	K36 K40	K36-S38 PolarHBondContact O-N 3.28Å; S38-K40 PolarHBondContact O-N 3.26Å
39	E	33.6	Very low	46.3	Very low	190 Å²	190	125.3 Å²	125.3	89%	0.888	71%	0.713	S	S	*	*			trans	-60.8	102	168	-76.2	178	153	0	0	108.9	S37 R41	S37-E39 PolarHBondContact O-N 2.86Å; E39-R41 PolarHBondContact O-N 2.71Å
40	K	33.9	Very low	49.2	Very low	189 Å²	189	122.6 Å²	122.6	82%	0.822	69%	0.686	S	S	*	*			trans	-61.6	119.3	158.9	-79	179.3	175.2	178.3	0	106.5	S38 Q42	S38-K40 PolarHBondContact O-N 3.26Å; K40-Q42 PolarHBondContact O-N 3.23Å
41	R	37.9	Very low	52.1	Low	249 Å²	249	117.2 Å²	117.2	94%	0.94	65%	0.647	S	S	*	*			trans	-51.4	110.3	162.8	-81.6	-179.4	173.3	175.1	-2.2	107.6	E39 A43	E39-R41 PolarHBondContact O-N 2.71Å; R41-A43 PolarHBondContact O-N 2.83Å
42	Q	40.7	Very low	55.3	Low	188 Å²	188	115.1 Å²	115.1	88%	0.879	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-58.9	122.5	178.6	-132.6	165.5	-8.2	0	0	107.9	K40 V44	K40-Q42 PolarHBondContact O-N 3.23Å; Q42-V44 PolarHBondContact O-N 3.12Å
43	A	54.8	Low	58.5	Low	94 Å²	94	109.2 Å²	109.2	78%	0.777	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-60.7	126.6	170.6	0	0	0	0	0	107.6	R41 D45	R41-A43 PolarHBondContact O-N 2.83Å; A43-D45 PolarHBondContact O-N 3.46Å; A43-D45 VanDerWaalsContact O-N 3.17Å
44	V	62.9	Low	61.5	Low	63 Å²	63	110.7 Å²	110.7	38%	0.382	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-62.6	118.6	177.2	178.7	0	0	0	0	107.5	Q42 T46 L186	Q42-V44 PolarHBondContact O-N 3.12Å; V44-T46 PolarHBondContact O-N 2.79Å; V44-L186 HydrophobicContact CG1-CD1 4.22Å
45	D	78.3	Confident	64.7	Low	124 Å²	124	99.7 Å²	99.7	66%	0.663	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-70.5	117.5	174.1	-168.1	-3.5	0	0	0	108.6	A43 A47	A43-D45 PolarHBondContact O-N 3.46Å; A43-D45 VanDerWaalsContact O-N 3.17Å; D45-A47 WeakPolarHBondContact OD1-CB 3.5Å; D45-A47 PolarHBondContact OD1-N 2.81Å
46	T	81.9	Confident	68	Low	10 Å²	10	95 Å²	95	6%	0.061	49%	0.493	C	S	.	.			trans	-90.2	-7.6	179.9	56.3	0	0	0	0	112.2	V44 L186 H188 V238	V44-T46 PolarHBondContact O-N 2.79Å; T46-L186 HydrophobicContact CG2-CB 3.7Å; T46-L186 HydrophobicContact CG2-CD1 4.19Å; T46-H188 PolarHBondContact OG1-CE1 3.03Å; T46-H188 VanDerWaalsContact OG1-CE1 3.3Å; T46-H188 PolarHBondContact OG1-NE2 3.46Å; T46-V238 HydrophobicContact CG2-CG1 3.98Å
47	A	84.4	Confident	71.1	Confident	27 Å²	27	89 Å²	89	22%	0.223	47%	0.467	C	S	.	.			trans	-74.3	138.8	-178	0	0	0	0	0	111.9	D45 V51 F52	D45-A47 WeakPolarHBondContact OD1-CB 3.5Å; D45-A47 PolarHBondContact OD1-N 2.81Å; A47-V51 CarbonylContact C-O 3.59Å; A47-V51 WeakPolarHBondContact CA-O 3.44Å; A47-F52 HydrophobicContact CB-CB 4.03Å; A47-F52 HydrophobicContact CB-CD1 4.46Å
48	V	86.4	Confident	74.3	Confident	71 Å²	71	84.7 Å²	84.7	43%	0.43	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-119.8	122.5	171.1	-176.8	0	0	0	0	106.9	G50 V51 Q185	V48-G50 PolarHBondContact O-N 3.18Å; V48-G50 VanDerWaalsContact O-N 3.15Å; V48-V51 PolarHBondContact N-O 2.63Å; V48-V51 PolarHBondContact O-N 3.42Å; V48-Q185 HydrophobicContact CG2-CG 4.04Å
49	D	86.4	Confident	77.1	Confident	130 Å²	130	81.9 Å²	81.9	70%	0.695	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	29.3	-176.6	-56.9	-34.6	0	0	0	115	V51 R83	D49-V51 VanDerWaalsContact C-N 3.34Å; D49-R83 PolarHBondContact O-NE 2.8Å
50	G	87	Confident	80.1	Confident	21 Å²	21	72.8 Å²	72.8	22%	0.216	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	11.7	-175.8	0	0	0	0	0	114	V48 N77 T78	V48-G50 PolarHBondContact O-N 3.18Å; V48-G50 VanDerWaalsContact O-N 3.15Å; G50-N77 CarbonylContact O-C 3.58Å; G50-N77 PolarHBondContact O-OD1 2.78Å; G50-T78 PolarHBondContact O-N 3.04Å; G50-T78 PolarHBondContact O-OG1 2.83Å
51	V	93	Very high	82.8	Confident	13 Å²	13	66.1 Å²	66.1	8%	0.079	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.1	174.9	-178.3	0	0	0	0	109.8	A47 V48 D49 V76 N77 R83 V85 Q185	A47-V51 CarbonylContact C-O 3.59Å; A47-V51 WeakPolarHBondContact CA-O 3.44Å; V48-V51 PolarHBondContact N-O 2.63Å; V48-V51 PolarHBondContact O-N 3.42Å; D49-V51 VanDerWaalsContact C-N 3.34Å; V51-V76 WeakPolarHBondContact CA-O 3.32Å; V51-N77 HydrophobicContact CG2-CB 4.3Å; V51-R83 HydrophobicContact CG2-CB 3.63Å; V51-R83 HydrophobicContact CG2-CG 3.9Å; V51-V85 HydrophobicContact CG1-CG1 3.87Å; V51-V85 HydrophobicContact CG2-CG1 4.44Å; V51-Q185 PolarHBondContact O-OE1 2.83Å
52	F	93.9	Very high	85.7	Confident	39 Å²	39	54.3 Å²	54.3	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.5	172.8	70.6	-92.7	0	0	0	112.5	A47 R54 V75 V76 T78 H188	A47-F52 HydrophobicContact CB-CB 4.03Å; A47-F52 HydrophobicContact CB-CD1 4.46Å; F52-R54 HydrophobicContact CD2-CB 4.37Å; F52-R54 HydrophobicContact CE2-CB 3.84Å; F52-R54 HydrophobicContact CE2-CG 4.39Å; F52-R54 PolarHBondContact O-N 3.35Å; F52-V75 WeakPolarHBondContact O-CA 3.09Å; F52-V76 HydrophobicContact CD1-CB 4.27Å; F52-V76 HydrophobicContact CE1-CB 3.75Å; F52-V76 HydrophobicContact CE1-CG1 3.87Å; F52-V76 HydrophobicContact CE2-CB 4.18Å; F52-V76 HydrophobicContact CE2-CG2 4.21Å; F52-V76 HydrophobicContact CZ-CB 3.71Å; F52-V76 HydrophobicContact CZ-CG1 4.02Å; F52-V76 HydrophobicContact CZ-CG2 3.99Å; F52-V76 PolarHBondContact N-O 3.41Å; F52-V76 PolarHBondContact O-N 2.84Å; F52-T78 HydrophobicContact CD1-CG2 4.17Å; F52-T78 HydrophobicContact CE1-CG2 3.64Å; F52-H188 AromaticContact CD2-CD2 3.42Å; F52-H188 VanDerWaalsContact CD2-CD2 3.42Å; F52-H188 WeakPolarHBondContact CD2-CD2 3.4Å; F52-H188 AromaticContact CD2-NE2 3.34Å; F52-H188 VanDerWaalsContact CD2-NE2 3.34Å; F52-H188 WeakPolarHBondContact CD2-NE2 3.27Å; F52-H188 AromaticContact CE2-CD2 3.65Å; F52-H188 AromaticContact CE2-NE2 3.61Å
53	I	95.8	Very high	88.2	Confident	17 Å²	17	45.4 Å²	45.4	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	104.9	175.6	-51.2	179.5	0	0	0	109.3	L56 V75 P183 Q185 V187 H188	I53-L56 HydrophobicContact CG2-CB 4.3Å; I53-V75 HydrophobicContact CG1-CG1 4.33Å; I53-P183 HydrophobicContact CD1-CB 4.19Å; I53-P183 WeakPolarHBondContact CD1-O 3.48Å; I53-Q185 HydrophobicContact CD1-CB 4.14Å; I53-Q185 HydrophobicContact CG1-CB 4.44Å; I53-V187 HydrophobicContact CB-CG1 4.45Å; I53-V187 HydrophobicContact CB-CG2 4.1Å; I53-V187 HydrophobicContact CD1-CG2 4.25Å; I53-V187 HydrophobicContact CG2-CB 4.44Å; I53-V187 HydrophobicContact CG2-CG1 3.89Å; I53-V187 HydrophobicContact CG2-CG2 3.96Å; I53-H188 PolarHBondContact O-N 3.47Å
54	R	95.1	Very high	90.2	Very high	113 Å²	113	41 Å²	41	43%	0.426	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-40.7	179	-177.2	165.1	178.4	-143.4	12.6	112.3	F52 Q74 V76 H188 H189	F52-R54 HydrophobicContact CD2-CB 4.37Å; F52-R54 HydrophobicContact CE2-CB 3.84Å; F52-R54 HydrophobicContact CE2-CG 4.39Å; F52-R54 PolarHBondContact O-N 3.35Å; R54-Q74 HydrophobicContact CB-CG 4.36Å; R54-Q74 VanDerWaalsContact CD-OE1 3.3Å; R54-Q74 PolarHBondContact N-O 2.81Å; R54-V76 HydrophobicContact CB-CG2 4.06Å; R54-H188 WeakPolarHBondContact O-CB 3.48Å; R54-H189 PolarHBondContact O-N 3.38Å; R54-H189 PolarHBondContact O-ND1 3.37Å
55	S	95.1	Very high	91.9	Very high	18 Å²	18	38.1 Å²	38.1	13%	0.126	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	144.4	174.6	63.8	0	0	0	0	112	S73 Q74 H189	S55-S73 CarbonylContact O-C 3.35Å; S55-S73 WeakPolarHBondContact O-CA 3.43Å; S55-Q74 PolarHBondContact N-O 3.25Å; S55-Q74 PolarHBondContact O-N 2.78Å; S55-Q74 WeakPolarHBondContact OG-CB 3.46Å; S55-H189 VanDerWaalsContact CA-O 3.24Å; S55-H189 WeakPolarHBondContact CA-O 3.5Å; S55-H189 WeakPolarHBondContact CB-O 3.38Å
56	L	96.7	Very high	92.9	Very high	20 Å²	20	32.2 Å²	32.2	11%	0.105	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	113.9	168.8	176.2	60.6	0	0	0	107.8	I53 V71 T72 P183 V187 H189 F190 E191	I53-L56 HydrophobicContact CG2-CB 4.3Å; L56-V71 HydrophobicContact CD1-CG1 4.24Å; L56-T72 CarbonylContact C-O 3.5Å; L56-T72 WeakPolarHBondContact CA-O 3.48Å; L56-P183 HydrophobicContact CD2-CB 3.85Å; L56-V187 HydrophobicContact CB-CG1 3.94Å; L56-V187 HydrophobicContact CB-CG2 4.35Å; L56-H189 PolarHBondContact N-O 3.26Å; L56-F190 HydrophobicContact CB-CD2 4.14Å; L56-F190 HydrophobicContact CB-CE2 4.48Å; L56-F190 HydrophobicContact CD2-CD2 4.15Å; L56-F190 HydrophobicContact CD2-CE2 3.78Å; L56-F190 HydrophobicContact CG-CD2 4.28Å; L56-F190 HydrophobicContact CG-CE2 4.11Å; L56-F190 WeakPolarHBondContact O-CA 3.16Å; L56-E191 PolarHBondContact O-N 2.66Å
57	K	94.7	Very high	93.7	Very high	85 Å²	85	31.7 Å²	31.7	37%	0.37	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.4	-174.7	-55	-165.1	178	-170.4	0	110.6	V71 T72 E191	K57-V71 CarbonylContact O-C 3.53Å; K57-V71 WeakPolarHBondContact O-CA 3.4Å; K57-T72 PolarHBondContact N-O 3.1Å; K57-T72 PolarHBondContact O-N 2.76Å; K57-E191 CarbonylContact C-O 3.59Å; K57-E191 VanDerWaalsContact CA-O 3.28Å; K57-E191 WeakPolarHBondContact CA-O 3.33Å; K57-E191 HydrophobicContact CB-CB 4.32Å; K57-E191 HydrophobicContact CD-CB 4.33Å; K57-E191 HydrophobicContact CG-CB 4Å; K57-E191 IonicContact NZ-OE2 3.88Å
58	V	96.6	Very high	94.1	Very high	12 Å²	12	32.4 Å²	32.4	7%	0.073	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113	169.4	-175.4	0	0	0	0	107.6	V71 I179 E191 I192 D193	V58-V71 HydrophobicContact CG1-CG2 4.17Å; V58-V71 HydrophobicContact CG2-CG1 4.28Å; V58-V71 HydrophobicContact CG2-CG2 4.21Å; V58-I179 HydrophobicContact CB-CG2 4.49Å; V58-I179 HydrophobicContact CG1-CD1 3.85Å; V58-I179 HydrophobicContact CG1-CG1 4.34Å; V58-I179 HydrophobicContact CG1-CG2 4.14Å; V58-I179 HydrophobicContact CG2-CG2 4.13Å; V58-E191 PolarHBondContact N-O 3.38Å; V58-I192 HydrophobicContact CB-CG1 4.2Å; V58-I192 HydrophobicContact CG2-CG1 4.43Å; V58-I192 WeakPolarHBondContact O-CA 3.41Å; V58-D193 PolarHBondContact O-N 2.58Å
59	N	90.8	Very high	94.6	Very high	46 Å²	46	29 Å²	29	25%	0.246	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.6	171.7	-167.3	-101.4	0	0	0	109.3	K61 Y69 V70 D193	N59-K61 WeakPolarHBondContact OD1-CD 3.38Å; N59-K61 WeakPolarHBondContact OD1-CE 3.4Å; N59-K61 WeakPolarHBondContact OD1-CG 3.39Å; N59-Y69 CarbonylContact O-C 3.58Å; N59-Y69 WeakPolarHBondContact O-CA 3.49Å; N59-V70 PolarHBondContact N-O 2.82Å; N59-V70 PolarHBondContact O-N 2.85Å; N59-D193 CarbonylContact C-O 3.55Å; N59-D193 WeakPolarHBondContact CA-O 3.41Å; N59-D193 PolarHBondContact ND2-OD1 2.86Å
60	C	95.8	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	114.7	176.4	179.7	0	0	0	0	109.2	H68 Y69 D193 V194 D195	C60-H68 CarbonylContact C-O 3.51Å; C60-H68 WeakPolarHBondContact CA-O 3.23Å; C60-Y69 HydrophobicContact CB-CD1 3.9Å; C60-Y69 HydrophobicContact CB-CE1 4.17Å; C60-Y69 VanDerWaalsContact SG-CE1 3.51Å; C60-D193 PolarHBondContact N-O 3Å; C60-V194 HydrophobicContact CB-CB 4.43Å; C60-V194 HydrophobicContact CB-CG1 4.12Å; C60-V194 HydrophobicContact CB-CG2 4.14Å; C60-V194 WeakPolarHBondContact O-CA 3.46Å; C60-D195 PolarHBondContact O-N 3.16Å
61	K	90.6	Very high	95.4	Very high	49 Å²	49	23.4 Å²	23.4	21%	0.213	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.3	173.8	-61.1	-51.7	-167.8	178.5	0	108.8	N59 H68 D195 M557	N59-K61 WeakPolarHBondContact OD1-CD 3.38Å; N59-K61 WeakPolarHBondContact OD1-CE 3.4Å; N59-K61 WeakPolarHBondContact OD1-CG 3.39Å; K61-H68 HydrophobicContact CB-CB 4.44Å; K61-H68 PolarHBondContact N-O 3.46Å; K61-H68 PolarHBondContact O-N 3.27Å; K61-D195 HydrophobicContact CD-CB 3.75Å; K61-D195 WeakPolarHBondContact CD-OD2 3.37Å; K61-D195 VanDerWaalsContact NZ-CB 3.3Å; K61-D195 IonicContact NZ-OD2 2.74Å; K61-D195 PolarHBondContact NZ-OD2 2.76Å; K61-M557 HydrophobicContact CB-CE 4.37Å; K61-M557 HydrophobicContact CB-SD 4.48Å
62	V	97.9	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.4	176.1	-172.4	0	0	0	0	109.1	F66 A67 L168 I177 V194 D195 I196 F197 Y260 R554	V62-F66 CarbonylContact C-O 3.48Å; V62-F66 VanDerWaalsContact CA-O 3.27Å; V62-F66 WeakPolarHBondContact CA-O 2.83Å; V62-A67 HydrophobicContact CG2-CB 4.14Å; V62-L168 HydrophobicContact CG1-CD1 3.98Å; V62-L168 HydrophobicContact CG2-CD1 4.43Å; V62-I177 HydrophobicContact CG2-CD1 3.75Å; V62-V194 HydrophobicContact CG2-CG1 4.47Å; V62-D195 PolarHBondContact N-O 2.87Å; V62-I196 HydrophobicContact CB-CB 4.35Å; V62-I196 HydrophobicContact CB-CG1 4.09Å; V62-I196 HydrophobicContact CB-CG2 4.28Å; V62-I196 HydrophobicContact CG1-CG2 4.39Å; V62-I196 HydrophobicContact CG2-CG1 4.16Å; V62-F197 PolarHBondContact O-N 2.84Å; V62-Y260 WeakPolarHBondContact CG1-OH 3.41Å; V62-R554 PolarHBondContact O-NH2 2.98Å
63	T	94.9	Very high	95.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112.3	177.5	-51.1	0	0	0	0	108.8	R65 F66 F197 R554 L558 H561	T63-R65 VanDerWaalsContact C-N 3.34Å; T63-R65 PolarHBondContact O-N 3.02Å; T63-F66 PolarHBondContact N-O 3.22Å; T63-F66 WeakPolarHBondContact O-CB 3.44Å; T63-F66 PolarHBondContact O-N 3.28Å; T63-F197 WeakPolarHBondContact CA-O 3.32Å; T63-F197 HydrophobicContact CG2-CD1 4.21Å; T63-R554 HydrophobicContact CG2-CG 3.97Å; T63-R554 PolarHBondContact OG1-NE 3.22Å; T63-R554 PolarHBondContact OG1-NH2 3.34Å; T63-R554 VanDerWaalsContact OG1-NH2 3.13Å; T63-L558 HydrophobicContact CG2-CD1 3.67Å; T63-H561 WeakPolarHBondContact CB-ND1 3.39Å; T63-H561 HydrophobicContact CG2-CB 4.43Å; T63-H561 PolarHBondContact OG1-ND1 3.46Å
64	S	96.9	Very high	95.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	53.5	-177.8	-158.8	0	0	0	0	112.6	F66 F197 E198 L271 F280	S64-F66 PolarHBondContact O-N 2.87Å; S64-F197 PolarHBondContact N-O 3.29Å; S64-E198 VanDerWaalsContact CA-OE2 3.26Å; S64-E198 WeakPolarHBondContact CA-OE2 3.49Å; S64-L271 WeakPolarHBondContact OG-CD2 3.32Å; S64-F280 WeakPolarHBondContact O-CZ 3.47Å; S64-F280 WeakPolarHBondContact OG-CE2 3.38Å; S64-F280 VanDerWaalsContact OG-CZ 3.28Å; S64-F280 WeakPolarHBondContact OG-CZ 3.42Å
65	R	98.4	Very high	95.4	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-7.4	-177	-62.7	60.4	163.8	-159.6	-27.8	116	T63 A67 L168 Y175 E198 D269 F280 E508	T63-R65 VanDerWaalsContact C-N 3.34Å; T63-R65 PolarHBondContact O-N 3.02Å; R65-A67 PolarHBondContact O-N 2.85Å; R65-L168 HydrophobicContact CB-CB 4.43Å; R65-L168 WeakPolarHBondContact O-CB 3.34Å; R65-L168 WeakPolarHBondContact O-CG 3.43Å; R65-L168 PolarHBondContact O-N 3.41Å; R65-Y175 HydrophobicContact CB-CE1 4.38Å; R65-Y175 HydrophobicContact CG-CD1 4.02Å; R65-Y175 HydrophobicContact CG-CE1 3.37Å; R65-Y175 HydrophobicContact CG-CE2 4.1Å; R65-Y175 VanDerWaalsContact CG-CZ 3.43Å; R65-Y175 PolarHBondContact NE-OH 2.91Å; R65-E198 WeakPolarHBondContact CD-OE1 3.3Å; R65-E198 VanDerWaalsContact CD-OE2 3.28Å; R65-E198 WeakPolarHBondContact CD-OE2 3.15Å; R65-E198 IonicContact CZ-OE2 2.79Å; R65-E198 PolarHBondContact N-OE1 2.77Å; R65-E198 VanDerWaalsContact N-OE1 3.08Å; R65-E198 IonicContact NE-OE2 3.08Å; R65-E198 IonicContact NH1-OE2 3.55Å; R65-E198 PolarHBondContact NH1-OE2 3.45Å; R65-D269 IonicContact CZ-OD2 2.83Å; R65-D269 IonicContact NH1-OD2 2.9Å; R65-D269 PolarHBondContact NH1-OD2 2.76Å; R65-D269 IonicContact NH2-OD2 3.66Å; R65-D269 PolarHBondContact NH2-OD2 3.38Å; R65-F280 HydrophobicContact CB-CE1 4.15Å; R65-F280 HydrophobicContact CG-CE1 4.16Å; R65-E508 IonicContact NH2-OE1 3.99Å
66	F	98.5	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.2	170.1	-173.3	-98.7	0	0	0	109.8	V62 T63 S64 H68 E165 V167 H561 R564 L565	V62-F66 CarbonylContact C-O 3.48Å; V62-F66 VanDerWaalsContact CA-O 3.27Å; V62-F66 WeakPolarHBondContact CA-O 2.83Å; T63-F66 PolarHBondContact N-O 3.22Å; T63-F66 WeakPolarHBondContact O-CB 3.44Å; T63-F66 PolarHBondContact O-N 3.28Å; S64-F66 PolarHBondContact O-N 2.87Å; F66-H68 HydrophobicContact CE1-CB 4.32Å; F66-E165 HydrophobicContact CE1-CB 4.38Å; F66-E165 HydrophobicContact CE1-CG 4.35Å; F66-E165 HydrophobicContact CE2-CB 4.32Å; F66-E165 HydrophobicContact CZ-CB 3.74Å; F66-E165 HydrophobicContact CZ-CG 4.04Å; F66-V167 HydrophobicContact CD2-CG2 3.91Å; F66-H561 HydrophobicContact CB-CB 4.36Å; F66-H561 HydrophobicContact CD1-CB 3.72Å; F66-H561 AromaticContact CD1-CD2 3.78Å; F66-H561 AromaticContact CD1-CG 3.55Å; F66-H561 AromaticContact CD1-ND1 3.93Å; F66-H561 HydrophobicContact CE1-CB 4.36Å; F66-H561 AromaticContact CE1-CD2 3.73Å; F66-H561 HydrophobicContact CG-CB 4.25Å; F66-R564 HydrophobicContact CE1-CB 4.19Å; F66-R564 HydrophobicContact CE2-CB 3.82Å; F66-R564 HydrophobicContact CZ-CB 3.52Å; F66-L565 HydrophobicContact CB-CB 4.32Å; F66-L565 HydrophobicContact CB-CD1 4.3Å; F66-L565 HydrophobicContact CD2-CB 3.89Å; F66-L565 HydrophobicContact CG-CB 4.41Å
67	A	98.1	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120	-179.3	0	0	0	0	0	110.7	V62 R65 Y69 E165 E166 L168	V62-A67 HydrophobicContact CG2-CB 4.14Å; R65-A67 PolarHBondContact O-N 2.85Å; A67-Y69 HydrophobicContact CB-CD2 4.33Å; A67-Y69 HydrophobicContact CB-CE2 3.55Å; A67-E165 VanDerWaalsContact O-CA 3.32Å; A67-E165 WeakPolarHBondContact O-CA 2.99Å; A67-E166 HydrophobicContact CB-CG 4.3Å; A67-E166 PolarHBondContact N-O 2.95Å; A67-E166 PolarHBondContact O-N 3.09Å; A67-L168 HydrophobicContact CB-CD1 4.2Å; A67-L168 HydrophobicContact CB-CD2 3.97Å; A67-L168 HydrophobicContact CB-CG 3.93Å
68	H	94.6	Very high	95.2	Very high	42 Å²	42	17.4 Å²	17.4	19%	0.194	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.9	176.8	177.8	92.9	0	0	0	109.7	C60 K61 F66 V70 T163 E165	C60-H68 CarbonylContact C-O 3.51Å; C60-H68 WeakPolarHBondContact CA-O 3.23Å; K61-H68 HydrophobicContact CB-CB 4.44Å; K61-H68 PolarHBondContact N-O 3.46Å; K61-H68 PolarHBondContact O-N 3.27Å; F66-H68 HydrophobicContact CE1-CB 4.32Å; H68-V70 WeakPolarHBondContact NE2-CG2 3.36Å; H68-T163 WeakPolarHBondContact CE1-CG2 3.38Å; H68-E165 HydrophobicContact CB-CG 4.43Å; H68-E165 IonicContact CE1-OE1 3.6Å; H68-E165 IonicContact CG-OE1 2.7Å; H68-E165 IonicContact ND1-OE1 2.78Å; H68-E165 PolarHBondContact ND1-OE1 2.86Å
69	Y	96.1	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134	-175.8	-56.5	-98.9	0	0	0	110.9	N59 C60 A67 T163 Y164 E166 I177	N59-Y69 CarbonylContact O-C 3.58Å; N59-Y69 WeakPolarHBondContact O-CA 3.49Å; C60-Y69 HydrophobicContact CB-CD1 3.9Å; C60-Y69 HydrophobicContact CB-CE1 4.17Å; C60-Y69 VanDerWaalsContact SG-CE1 3.51Å; A67-Y69 HydrophobicContact CB-CD2 4.33Å; A67-Y69 HydrophobicContact CB-CE2 3.55Å; Y69-T163 VanDerWaalsContact O-CA 3.26Å; Y69-T163 WeakPolarHBondContact O-CA 3.35Å; Y69-T163 WeakPolarHBondContact O-CG2 3.34Å; Y69-Y164 WeakPolarHBondContact CB-O 3.29Å; Y69-Y164 AromaticContact CD1-CE2 3.77Å; Y69-Y164 HydrophobicContact CD1-CE2 3.77Å; Y69-Y164 AromaticContact CD1-CZ 3.96Å; Y69-Y164 AromaticContact CD2-CD2 3.47Å; Y69-Y164 HydrophobicContact CD2-CD2 3.47Å; Y69-Y164 VanDerWaalsContact CD2-CD2 3.47Å; Y69-Y164 AromaticContact CD2-CE2 3.29Å; Y69-Y164 HydrophobicContact CD2-CE2 3.29Å; Y69-Y164 HydrophobicContact CD2-CG 4.46Å; Y69-Y164 WeakPolarHBondContact CD2-O 3.3Å; Y69-Y164 HydrophobicContact CE1-CE2 4.3Å; Y69-Y164 HydrophobicContact CE2-CD2 4.16Å; Y69-Y164 AromaticContact CE2-CE2 3.86Å; Y69-Y164 HydrophobicContact CE2-CE2 3.86Å; Y69-Y164 AromaticContact CG-CD2 3.76Å; Y69-Y164 HydrophobicContact CG-CD2 3.76Å; Y69-Y164 HydrophobicContact CG-CE1 4.44Å; Y69-Y164 AromaticContact CG-CE2 3.21Å; Y69-Y164 HydrophobicContact CG-CE2 3.21Å; Y69-Y164 AromaticContact CG-CZ 3.61Å; Y69-Y164 PolarHBondContact N-O 3.47Å; Y69-Y164 PolarHBondContact O-N 2.74Å; Y69-E166 HydrophobicContact CE2-CG 4.06Å; Y69-E166 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E166 PolarHBondContact OH-OE1 3.3Å; Y69-I177 HydrophobicContact CE1-CG2 3.8Å
70	V	93.6	Very high	94.9	Very high	26 Å²	26	21.4 Å²	21.4	16%	0.158	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.3	171.6	-176.4	0	0	0	0	108.8	N59 H68 Q161 L162 T163	N59-V70 PolarHBondContact N-O 2.82Å; N59-V70 PolarHBondContact O-N 2.85Å; H68-V70 WeakPolarHBondContact NE2-CG2 3.36Å; V70-Q161 HydrophobicContact CG1-CG 3.87Å; V70-L162 WeakPolarHBondContact CA-O 3.41Å; V70-T163 HydrophobicContact CG2-CG2 4.22Å
71	V	95.8	Very high	94.7	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.1	176.5	-176.1	0	0	0	0	109	L56 K57 V58 F87 V89 Q161 L162 Y164	L56-V71 HydrophobicContact CD1-CG1 4.24Å; K57-V71 CarbonylContact O-C 3.53Å; K57-V71 WeakPolarHBondContact O-CA 3.4Å; V58-V71 HydrophobicContact CG1-CG2 4.17Å; V58-V71 HydrophobicContact CG2-CG1 4.28Å; V58-V71 HydrophobicContact CG2-CG2 4.21Å; V71-F87 HydrophobicContact CG1-CE2 4.23Å; V71-F87 HydrophobicContact CG1-CZ 4.14Å; V71-V89 HydrophobicContact CG1-CG1 4.15Å; V71-Q161 CarbonylContact O-C 3.5Å; V71-Q161 WeakPolarHBondContact O-CA 3.07Å; V71-L162 PolarHBondContact N-O 3Å; V71-L162 PolarHBondContact O-N 2.83Å; V71-Y164 HydrophobicContact CG2-CE1 3.8Å
72	T	92.7	Very high	94.6	Very high	34 Å²	34	27 Å²	27	21%	0.209	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.7	-179.2	-51.8	0	0	0	0	110.6	L56 K57 T159 F160	L56-T72 CarbonylContact C-O 3.5Å; L56-T72 WeakPolarHBondContact CA-O 3.48Å; K57-T72 PolarHBondContact N-O 3.1Å; K57-T72 PolarHBondContact O-N 2.76Å; T72-T159 HydrophobicContact CG2-CG2 3.85Å; T72-F160 CarbonylContact C-O 3.57Å; T72-F160 VanDerWaalsContact CA-O 3.28Å; T72-F160 WeakPolarHBondContact CA-O 3.48Å
73	S	96.4	Very high	94.2	Very high	7 Å²	7	30.3 Å²	30.3	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.3	175.2	-172.9	0	0	0	0	110.4	S55 T159 F160	S55-S73 CarbonylContact O-C 3.35Å; S55-S73 WeakPolarHBondContact O-CA 3.43Å; S73-T159 CarbonylContact O-C 3.47Å; S73-T159 WeakPolarHBondContact O-CA 3.48Å; S73-F160 PolarHBondContact N-O 2.76Å; S73-F160 PolarHBondContact O-N 2.84Å
74	Q	95.3	Very high	94	Very high	31 Å²	31	35 Å²	35	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.8	173.3	-175.2	168.9	95.2	0	0	109.6	R54 S55 K157 V158 T159	R54-Q74 HydrophobicContact CB-CG 4.36Å; R54-Q74 VanDerWaalsContact CD-OE1 3.3Å; R54-Q74 PolarHBondContact N-O 2.81Å; S55-Q74 PolarHBondContact N-O 3.25Å; S55-Q74 PolarHBondContact O-N 2.78Å; S55-Q74 WeakPolarHBondContact OG-CB 3.46Å; Q74-K157 HydrophobicContact CG-CD 4.41Å; Q74-K157 HydrophobicContact CG-CG 4.06Å; Q74-V158 CarbonylContact C-O 3.57Å; Q74-V158 WeakPolarHBondContact CA-O 3.38Å; Q74-T159 PolarHBondContact NE2-OG1 2.91Å
75	V	94.8	Very high	93.8	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.7	179.3	-57.3	0	0	0	0	109.8	F52 I53 V85 V158 F160	F52-V75 WeakPolarHBondContact O-CA 3.09Å; I53-V75 HydrophobicContact CG1-CG1 4.33Å; V75-V85 HydrophobicContact CG2-CB 4.05Å; V75-V85 HydrophobicContact CG2-CG1 4.1Å; V75-V85 HydrophobicContact CG2-CG2 3.95Å; V75-V158 HydrophobicContact CG2-CB 3.95Å; V75-V158 PolarHBondContact N-O 3.15Å; V75-V158 PolarHBondContact O-N 3.01Å; V75-F160 HydrophobicContact CG2-CE2 3.84Å
76	V	94.6	Very high	93.5	Very high	24 Å²	24	37.3 Å²	37.3	15%	0.145	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.2	-179.3	-178.7	0	0	0	0	108.3	V51 F52 R54 T78 K157	V51-V76 WeakPolarHBondContact CA-O 3.32Å; F52-V76 HydrophobicContact CD1-CB 4.27Å; F52-V76 HydrophobicContact CE1-CB 3.75Å; F52-V76 HydrophobicContact CE1-CG1 3.87Å; F52-V76 HydrophobicContact CE2-CB 4.18Å; F52-V76 HydrophobicContact CE2-CG2 4.21Å; F52-V76 HydrophobicContact CZ-CB 3.71Å; F52-V76 HydrophobicContact CZ-CG1 4.02Å; F52-V76 HydrophobicContact CZ-CG2 3.99Å; F52-V76 PolarHBondContact N-O 3.41Å; F52-V76 PolarHBondContact O-N 2.84Å; R54-V76 HydrophobicContact CB-CG2 4.06Å; V76-T78 HydrophobicContact CG1-CG2 4.05Å; V76-K157 HydrophobicContact CG2-CG 4.28Å
77	N	94.3	Very high	93.3	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.5	168.7	178.5	18.6	0	0	0	108.2	G50 V51 A79 E81 R83 V152 N153 Q155 S156	G50-N77 CarbonylContact O-C 3.58Å; G50-N77 PolarHBondContact O-OD1 2.78Å; V51-N77 HydrophobicContact CG2-CB 4.3Å; N77-A79 VanDerWaalsContact OD1-CB 3.28Å; N77-A79 WeakPolarHBondContact OD1-CB 3.31Å; N77-A79 PolarHBondContact OD1-N 2.95Å; N77-E81 PolarHBondContact ND2-O 2.93Å; N77-R83 WeakPolarHBondContact OD1-CG 3.47Å; N77-V152 HydrophobicContact CB-CG2 3.83Å; N77-N153 PolarHBondContact ND2-O 3.26Å; N77-Q155 CarbonylContact O-C 3.58Å; N77-Q155 WeakPolarHBondContact O-CA 3.37Å; N77-Q155 PolarHBondContact O-N 2.88Å; N77-S156 PolarHBondContact N-O 3.23Å; N77-S156 PolarHBondContact O-N 2.84Å
78	T	93.4	Very high	93.1	Very high	77 Å²	77	39 Å²	39	47%	0.472	22%	0.216	S	C	.	.			trans	-93.3	-7.9	174.7	58.2	0	0	0	0	112.9	G50 F52 V76	G50-T78 PolarHBondContact O-N 3.04Å; G50-T78 PolarHBondContact O-OG1 2.83Å; F52-T78 HydrophobicContact CD1-CG2 4.17Å; F52-T78 HydrophobicContact CE1-CG2 3.64Å; V76-T78 HydrophobicContact CG1-CG2 4.05Å
79	A	90.8	Very high	93.1	Very high	16 Å²	16	38.1 Å²	38.1	13%	0.132	21%	0.214	C	C	.	.	S	Bend	trans	-67.6	152.6	176.4	0	0	0	0	0	111.1	N77 E81 R83 P154 Q155	N77-A79 VanDerWaalsContact OD1-CB 3.28Å; N77-A79 WeakPolarHBondContact OD1-CB 3.31Å; N77-A79 PolarHBondContact OD1-N 2.95Å; A79-E81 PolarHBondContact O-N 2.82Å; A79-R83 HydrophobicContact CB-CG 4.22Å; A79-P154 WeakPolarHBondContact O-CA 3.42Å; A79-Q155 PolarHBondContact O-N 3.49Å; A79-Q155 VanDerWaalsContact O-N 3.11Å
80	N	90.2	Very high	93	Very high	125 Å²	125	39.6 Å²	39.6	67%	0.668	22%	0.221	S	C	*	.	S	Bend	trans	-79.3	7.8	171.8	-65.7	-28.7	0	0	0	112.8	P154 Q155	N80-P154 WeakPolarHBondContact O-CG 3.39Å; N80-Q155 PolarHBondContact OD1-NE2 3.29Å
81	E	90.3	Very high	93.1	Very high	116 Å²	116	38.4 Å²	38.4	54%	0.542	21%	0.214	S	C	.	.	S	Bend	trans	-124	155.9	-179	-69.2	177.2	-179.5	0	0	110.1	N77 A79 R83	N77-E81 PolarHBondContact ND2-O 2.93Å; A79-E81 PolarHBondContact O-N 2.82Å; E81-R83 IonicContact OE2-CZ 3.24Å; E81-R83 VanDerWaalsContact OE2-CZ 3.24Å; E81-R83 IonicContact OE2-NH1 2.9Å; E81-R83 PolarHBondContact OE2-NH1 2.94Å; E81-R83 IonicContact OE2-NH2 2.78Å; E81-R83 PolarHBondContact OE2-NH2 2.67Å
82	A	88.4	Confident	93.1	Very high	51 Å²	51	38.6 Å²	38.6	42%	0.421	22%	0.215	S	C	.	.			trans	-62.9	140.7	171.2	0	0	0	0	0	109.9	T151 V152	A82-T151 HydrophobicContact CB-CG2 4.1Å; A82-V152 VanDerWaalsContact CA-O 3.24Å; A82-V152 WeakPolarHBondContact CA-O 3.38Å; A82-V152 WeakPolarHBondContact CB-O 3.31Å
83	R	90.3	Very high	93.2	Very high	69 Å²	69	38.8 Å²	38.8	26%	0.26	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.7	-178.9	-70.1	-68.5	178.9	-99.4	4.1	110.6	D49 V51 N77 A79 E81 T151 V152	D49-R83 PolarHBondContact O-NE 2.8Å; V51-R83 HydrophobicContact CG2-CB 3.63Å; V51-R83 HydrophobicContact CG2-CG 3.9Å; N77-R83 WeakPolarHBondContact OD1-CG 3.47Å; A79-R83 HydrophobicContact CB-CG 4.22Å; E81-R83 IonicContact OE2-CZ 3.24Å; E81-R83 VanDerWaalsContact OE2-CZ 3.24Å; E81-R83 IonicContact OE2-NH1 2.9Å; E81-R83 PolarHBondContact OE2-NH1 2.94Å; E81-R83 IonicContact OE2-NH2 2.78Å; E81-R83 PolarHBondContact OE2-NH2 2.67Å; R83-T151 WeakPolarHBondContact O-CA 3.35Å; R83-V152 PolarHBondContact N-O 2.87Å; R83-V152 WeakPolarHBondContact O-CG2 3.47Å; R83-V152 PolarHBondContact O-N 3.39Å
84	E	90.9	Very high	93.1	Very high	100 Å²	100	41.8 Å²	41.8	47%	0.467	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.2	170.4	-170.1	179.6	170.4	0	0	109.5	H149 T642	E84-H149 WeakPolarHBondContact OE1-CB 3.31Å; E84-H149 IonicContact OE1-CE1 3.55Å; E84-H149 IonicContact OE1-CG 2.63Å; E84-H149 IonicContact OE1-ND1 3.98Å; E84-H149 PolarHBondContact OE1-ND1 3.15Å; E84-T642 HydrophobicContact CG-CG2 4.06Å; E84-T642 PolarHBondContact OE1-OG1 2.81Å
85	V	92.5	Very high	93.2	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.2	172.2	-51.2	0	0	0	0	109.5	V51 V75 L150 V152 F160	V51-V85 HydrophobicContact CG1-CG1 3.87Å; V51-V85 HydrophobicContact CG2-CG1 4.44Å; V75-V85 HydrophobicContact CG2-CB 4.05Å; V75-V85 HydrophobicContact CG2-CG1 4.1Å; V75-V85 HydrophobicContact CG2-CG2 3.95Å; V85-L150 HydrophobicContact CG2-CB 4.24Å; V85-L150 PolarHBondContact N-O 2.97Å; V85-L150 PolarHBondContact O-N 3.07Å; V85-V152 HydrophobicContact CB-CG1 4.47Å; V85-V152 HydrophobicContact CG1-CG1 4.12Å; V85-V152 HydrophobicContact CG1-CG2 3.72Å; V85-V152 HydrophobicContact CG2-CG1 3.53Å; V85-F160 HydrophobicContact CG2-CE2 4.04Å; V85-F160 HydrophobicContact CG2-CZ 3.81Å
86	A	91.4	Very high	93.3	Very high	45 Å²	45	40.1 Å²	40.1	37%	0.372	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.5	179	0	0	0	0	0	110.9	I148	A86-I148 WeakPolarHBondContact CA-O 3.37Å
87	F	94.6	Very high	93.5	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.1	161.5	177.4	-102.2	0	0	0	107.9	V71 V89 F100 F146 T147 I148 F160 L162	V71-F87 HydrophobicContact CG1-CE2 4.23Å; V71-F87 HydrophobicContact CG1-CZ 4.14Å; F87-V89 HydrophobicContact CE1-CG1 4.49Å; F87-V89 HydrophobicContact CE1-CG2 3.87Å; F87-V89 HydrophobicContact CE2-CG1 4.06Å; F87-V89 HydrophobicContact CZ-CG1 4Å; F87-V89 HydrophobicContact CZ-CG2 3.94Å; F87-F100 HydrophobicContact CD1-CE2 4.01Å; F87-F100 HydrophobicContact CD1-CZ 4.37Å; F87-F100 AromaticContact CE1-CE2 3.9Å; F87-F100 HydrophobicContact CE1-CE2 3.9Å; F87-F146 AromaticContact CD1-CD1 3.75Å; F87-F146 HydrophobicContact CD1-CD1 3.75Å; F87-F146 AromaticContact CD1-CE1 3.69Å; F87-F146 HydrophobicContact CD1-CE1 3.69Å; F87-F146 AromaticContact CE1-CD1 3.81Å; F87-F146 HydrophobicContact CE1-CD1 3.81Å; F87-F146 AromaticContact CE1-CE1 3.89Å; F87-F146 HydrophobicContact CE1-CE1 3.89Å; F87-T147 WeakPolarHBondContact O-CA 3.49Å; F87-I148 HydrophobicContact CB-CG2 3.8Å; F87-I148 HydrophobicContact CD1-CG2 4.33Å; F87-I148 PolarHBondContact N-O 2.93Å; F87-I148 PolarHBondContact O-N 3.46Å; F87-F160 HydrophobicContact CB-CB 4.08Å; F87-F160 HydrophobicContact CB-CD1 3.6Å; F87-F160 HydrophobicContact CB-CD2 3.95Å; F87-F160 HydrophobicContact CB-CE1 3.98Å; F87-F160 HydrophobicContact CB-CE2 4.28Å; F87-F160 HydrophobicContact CB-CG 3.6Å; F87-F160 HydrophobicContact CB-CZ 4.31Å; F87-F160 HydrophobicContact CD1-CB 4.25Å; F87-F160 HydrophobicContact CD2-CB 3.44Å; F87-F160 VanDerWaalsContact CD2-CB 3.44Å; F87-F160 HydrophobicContact CD2-CD2 4.27Å; F87-F160 AromaticContact CD2-CG 3.88Å; F87-F160 HydrophobicContact CD2-CG 3.88Å; F87-F160 HydrophobicContact CE2-CB 3.84Å; F87-F160 HydrophobicContact CG-CB 3.66Å; F87-F160 HydrophobicContact CG-CD1 4.02Å; F87-F160 HydrophobicContact CG-CD2 4.39Å; F87-F160 AromaticContact CG-CG 3.78Å; F87-F160 HydrophobicContact CG-CG 3.78Å; F87-F160 HydrophobicContact CZ-CB 4.39Å; F87-L162 HydrophobicContact CE1-CB 3.93Å; F87-L162 HydrophobicContact CE1-CD2 4.25Å; F87-L162 HydrophobicContact CZ-CB 3.91Å
88	D	93.6	Very high	93.2	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.171	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	105.6	-167.1	-163.9	17.8	0	0	0	110.4	Q145 F146 T147 K184 R640	D88-Q145 WeakPolarHBondContact OD1-CG 3.43Å; D88-Q145 PolarHBondContact OD1-NE2 3.4Å; D88-F146 WeakPolarHBondContact CA-O 3.27Å; D88-T147 HydrophobicContact CB-CG2 4.3Å; D88-T147 PolarHBondContact OD1-OG1 3.34Å; D88-K184 WeakPolarHBondContact OD2-CE 3.34Å; D88-K184 IonicContact OD2-NZ 3.96Å; D88-K184 PolarHBondContact OD2-NZ 2.9Å; D88-R640 IonicContact OD1-NH1 2.83Å; D88-R640 IonicContact OD2-NH1 3.56Å
89	V	94.7	Very high	93	Very high	24 Å²	24	39.5 Å²	39.5	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.8	-174.4	-60.6	0	0	0	0	110.9	V71 F87 Q145 F146 L162	V71-V89 HydrophobicContact CG1-CG1 4.15Å; F87-V89 HydrophobicContact CE1-CG1 4.49Å; F87-V89 HydrophobicContact CE1-CG2 3.87Å; F87-V89 HydrophobicContact CE2-CG1 4.06Å; F87-V89 HydrophobicContact CZ-CG1 4Å; F87-V89 HydrophobicContact CZ-CG2 3.94Å; V89-Q145 PolarHBondContact O-NE2 3.11Å; V89-F146 HydrophobicContact CG2-CB 3.98Å; V89-F146 PolarHBondContact N-O 2.91Å; V89-F146 PolarHBondContact O-N 3.38Å; V89-L162 HydrophobicContact CG2-CD2 3.84Å
90	E	94.8	Very high	93	Very high	32 Å²	32	38.7 Å²	38.7	15%	0.15	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.2	171.6	-69.4	172.8	-150.3	0	0	110.1	M143 E144 K180	E90-M143 HydrophobicContact CB-CB 4.35Å; E90-E144 CarbonylContact C-O 3.52Å; E90-E144 VanDerWaalsContact CA-O 3.25Å; E90-E144 WeakPolarHBondContact CA-O 3.32Å; E90-K180 HydrophobicContact CB-CB 3.74Å; E90-K180 HydrophobicContact CB-CG 4.02Å; E90-K180 HydrophobicContact CG-CB 4.4Å; E90-K180 HydrophobicContact CG-CG 4.12Å; E90-K180 WeakPolarHBondContact OE1-CE 3.28Å; E90-K180 IonicContact OE1-NZ 2.86Å; E90-K180 WeakPolarHBondContact OE2-CD 3.49Å; E90-K180 IonicContact OE2-NZ 2.68Å
91	I	96.3	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.7	177.3	65.5	175.4	0	0	0	110.7	I97 M143 E144 L162 Y164	I91-I97 HydrophobicContact CD1-CD1 3.74Å; I91-I97 HydrophobicContact CD1-CG1 3.65Å; I91-M143 CarbonylContact O-C 3.54Å; I91-M143 WeakPolarHBondContact O-CA 3.4Å; I91-E144 HydrophobicContact CG1-CB 4.1Å; I91-E144 PolarHBondContact N-O 3.33Å; I91-E144 PolarHBondContact O-N 3.2Å; I91-L162 HydrophobicContact CG2-CD2 4.07Å; I91-Y164 HydrophobicContact CB-CD1 4.43Å; I91-Y164 HydrophobicContact CB-CD2 4.45Å; I91-Y164 HydrophobicContact CB-CE1 4.31Å; I91-Y164 HydrophobicContact CB-CE2 4.32Å; I91-Y164 HydrophobicContact CB-CG 4.5Å; I91-Y164 HydrophobicContact CG2-CD1 3.7Å; I91-Y164 HydrophobicContact CG2-CD2 4.5Å; I91-Y164 HydrophobicContact CG2-CE1 3.42Å; I91-Y164 VanDerWaalsContact CG2-CE1 3.42Å; I91-Y164 HydrophobicContact CG2-CE2 4.26Å; I91-Y164 HydrophobicContact CG2-CG 4.24Å
92	P	95.8	Very high	92.5	Very high	10 Å²	10	28 Å²	28	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139.3	178.5	-22.7	34.3	0	0	0	113.1	T94 A95 T142 M143	P92-T94 WeakPolarHBondContact CB-OG1 3.39Å; P92-T94 PolarHBondContact O-N 3.1Å; P92-T94 VanDerWaalsContact O-N 3.14Å; P92-A95 HydrophobicContact CB-CB 4.46Å; P92-A95 PolarHBondContact O-N 3.21Å; P92-T142 WeakPolarHBondContact CA-O 3.37Å; P92-M143 HydrophobicContact CB-SD 4.35Å; P92-M143 HydrophobicContact CG-CE 4.37Å; P92-M143 HydrophobicContact CG-SD 4.18Å
93	K	94	Very high	92.1	Very high	39 Å²	39	27.8 Å²	27.8	17%	0.17	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.2	171	-79.6	-177	175.8	-175.5	0	113	A95 G140 R141 T142 E144 K626 E629	K93-A95 VanDerWaalsContact C-N 3.34Å; K93-G140 WeakPolarHBondContact CE-O 3.27Å; K93-R141 WeakPolarHBondContact CD-O 3.21Å; K93-R141 PolarHBondContact NZ-O 2.87Å; K93-T142 PolarHBondContact N-O 3.18Å; K93-E144 HydrophobicContact CG-CG 3.73Å; K93-K626 WeakPolarHBondContact O-CE 3.26Å; K93-K626 PolarHBondContact O-NZ 2.89Å; K93-E629 IonicContact NZ-OE1 2.76Å; K93-E629 PolarHBondContact NZ-OE1 3.32Å
94	T	94	Very high	91.5	Very high	69 Å²	69	24.6 Å²	24.6	42%	0.423	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.9	176	38.3	0	0	0	0	112.8	P92 E166 Y568	P92-T94 WeakPolarHBondContact CB-OG1 3.39Å; P92-T94 PolarHBondContact O-N 3.1Å; P92-T94 VanDerWaalsContact O-N 3.14Å; T94-E166 WeakPolarHBondContact CB-OE2 3.35Å; T94-E166 PolarHBondContact OG1-OE2 3.35Å; T94-Y568 WeakPolarHBondContact O-CE2 3.44Å; T94-Y568 PolarHBondContact O-OH 2.83Å
95	A	97.1	Very high	90.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	14%	0.14	C	C	.	.			trans	-78.4	151.4	-175.2	0	0	0	0	0	113.4	P92 K93 Y164 E165 E166 K626	P92-A95 HydrophobicContact CB-CB 4.46Å; P92-A95 PolarHBondContact O-N 3.21Å; K93-A95 VanDerWaalsContact C-N 3.34Å; A95-Y164 HydrophobicContact CB-CD2 3.75Å; A95-Y164 HydrophobicContact CB-CG 4.46Å; A95-E165 VanDerWaalsContact CA-O 3.32Å; A95-E165 WeakPolarHBondContact CA-O 2.93Å; A95-E166 HydrophobicContact CB-CB 4.08Å; A95-K626 PolarHBondContact O-NZ 2.75Å
96	F	98.1	Very high	89	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.6	165.8	-63.4	-37.3	0	0	0	109.7	S98 Y164 E165 Y568 I571 Q572 L575 F602 V603 T604	F96-S98 PolarHBondContact O-N 3Å; F96-Y164 CarbonylContact O-C 3.57Å; F96-Y164 VanDerWaalsContact O-CA 3.29Å; F96-Y164 WeakPolarHBondContact O-CA 3.34Å; F96-E165 PolarHBondContact N-O 2.04Å; F96-E165 PolarHBondContact O-N 2.79Å; F96-Y568 AromaticContact CD2-CD2 3.56Å; F96-Y568 HydrophobicContact CD2-CD2 3.56Å; F96-Y568 AromaticContact CD2-CE2 3.87Å; F96-Y568 HydrophobicContact CD2-CE2 3.87Å; F96-Y568 AromaticContact CE2-CD2 3.73Å; F96-Y568 HydrophobicContact CE2-CD2 3.73Å; F96-Y568 AromaticContact CE2-CE2 3.91Å; F96-Y568 HydrophobicContact CE2-CE2 3.91Å; F96-Y568 HydrophobicContact CG-CD2 4.45Å; F96-Y568 HydrophobicContact CG-CE2 4.45Å; F96-I571 HydrophobicContact CE2-CB 4.31Å; F96-I571 HydrophobicContact CE2-CG2 3.8Å; F96-I571 HydrophobicContact CZ-CG2 3.96Å; F96-Q572 HydrophobicContact CE2-CG 4.24Å; F96-Q572 HydrophobicContact CZ-CG 4.09Å; F96-Q572 VanDerWaalsContact CZ-NE2 3.28Å; F96-L575 HydrophobicContact CZ-CD1 4.27Å; F96-F602 HydrophobicContact CB-CB 4.06Å; F96-F602 HydrophobicContact CB-CD1 3.46Å; F96-F602 VanDerWaalsContact CB-CD1 3.46Å; F96-F602 HydrophobicContact CB-CE1 4.12Å; F96-F602 HydrophobicContact CB-CG 4Å; F96-F602 HydrophobicContact CD2-CB 4.28Å; F96-F602 HydrophobicContact CD2-CD1 4.18Å; F96-F602 HydrophobicContact CD2-CD2 4.44Å; F96-F602 HydrophobicContact CD2-CG 4.07Å; F96-F602 HydrophobicContact CG-CB 4.36Å; F96-F602 HydrophobicContact CG-CD1 4.29Å; F96-F602 HydrophobicContact CG-CG 4.41Å; F96-V603 WeakPolarHBondContact CD1-O 3.41Å; F96-T604 HydrophobicContact CD1-CG2 4.1Å; F96-T604 HydrophobicContact CD2-CG2 4.23Å; F96-T604 HydrophobicContact CE1-CG2 4.11Å; F96-T604 HydrophobicContact CE2-CG2 4.24Å; F96-T604 HydrophobicContact CG-CG2 4.18Å; F96-T604 HydrophobicContact CZ-CG2 4.18Å
97	I	97.9	Very high	87.6	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	131.4	170	-63.4	168.4	0	0	0	107.6	I91 V136 F146 L162 V603 M609 I624	I91-I97 HydrophobicContact CD1-CD1 3.74Å; I91-I97 HydrophobicContact CD1-CG1 3.65Å; I97-V136 HydrophobicContact CD1-CG2 3.91Å; I97-F146 HydrophobicContact CD1-CD2 4.01Å; I97-F146 HydrophobicContact CD1-CE2 4.27Å; I97-L162 HydrophobicContact CD1-CD1 4.41Å; I97-L162 HydrophobicContact CG1-CD1 4.38Å; I97-L162 HydrophobicContact CG2-CD1 3.83Å; I97-V603 HydrophobicContact CB-CB 4.08Å; I97-V603 HydrophobicContact CB-CG2 4.06Å; I97-V603 HydrophobicContact CG2-CG2 4.23Å; I97-V603 PolarHBondContact O-N 3.07Å; I97-M609 HydrophobicContact CG2-CE 4.19Å; I97-I624 HydrophobicContact CD1-CG2 3.5Å
98	S	88.8	Confident	86.4	Confident	20 Å²	20	29.9 Å²	29.9	14%	0.14	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-24.7	-179.9	56.7	0	0	0	0	113.8	F96 T163 G601	F96-S98 PolarHBondContact O-N 3Å; S98-T163 PolarHBondContact N-O 3.33Å; S98-T163 WeakPolarHBondContact OG-CG2 2.99Å; S98-G601 VanDerWaalsContact CA-O 3.23Å; S98-G601 WeakPolarHBondContact CA-O 3.32Å
99	D	88	Confident	85.5	Confident	61 Å²	61	30 Å²	30	33%	0.326	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	151.2	176	-161.5	7.1	0	0	0	111.9	T163	D99-T163 PolarHBondContact N-O 2.97Å; D99-T163 PolarHBondContact O-N 2.82Å
100	F	91.6	Very high	84.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	126.9	170.4	-177.4	-116.6	0	0	0	110.7	F87 I102 G111 F146 I148 F160 Q161 L162 M609 I611 I624	F87-F100 HydrophobicContact CD1-CE2 4.01Å; F87-F100 HydrophobicContact CD1-CZ 4.37Å; F87-F100 AromaticContact CE1-CE2 3.9Å; F87-F100 HydrophobicContact CE1-CE2 3.9Å; F100-I102 HydrophobicContact CE1-CD1 3.56Å; F100-I102 HydrophobicContact CE1-CG1 3.7Å; F100-I102 HydrophobicContact CZ-CD1 3.76Å; F100-I102 HydrophobicContact CZ-CG1 3.69Å; F100-G111 PolarHBondContact O-N 3.08Å; F100-F146 AromaticContact CD1-CZ 4Å; F100-F146 HydrophobicContact CD1-CZ 4Å; F100-F146 HydrophobicContact CD2-CE1 4.31Å; F100-F146 AromaticContact CD2-CZ 3.81Å; F100-F146 HydrophobicContact CD2-CZ 3.81Å; F100-F146 HydrophobicContact CE1-CE1 4.28Å; F100-F146 AromaticContact CE1-CZ 3.82Å; F100-F146 HydrophobicContact CE1-CZ 3.82Å; F100-F146 AromaticContact CE2-CE1 3.75Å; F100-F146 HydrophobicContact CE2-CE1 3.75Å; F100-F146 AromaticContact CE2-CZ 3.66Å; F100-F146 HydrophobicContact CE2-CZ 3.66Å; F100-F146 AromaticContact CG-CZ 3.98Å; F100-F146 HydrophobicContact CG-CZ 3.98Å; F100-F146 AromaticContact CZ-CE1 3.72Å; F100-F146 HydrophobicContact CZ-CE1 3.72Å; F100-F146 AromaticContact CZ-CZ 3.66Å; F100-F146 HydrophobicContact CZ-CZ 3.66Å; F100-I148 HydrophobicContact CE1-CD1 4.47Å; F100-I148 HydrophobicContact CZ-CG2 4.09Å; F100-F160 HydrophobicContact CZ-CD1 4.32Å; F100-Q161 WeakPolarHBondContact CA-O 3.03Å; F100-Q161 VanDerWaalsContact CD2-O 3.23Å; F100-Q161 WeakPolarHBondContact CD2-O 3.39Å; F100-L162 HydrophobicContact CB-CD1 4.17Å; F100-L162 HydrophobicContact CD2-CB 3.93Å; F100-L162 HydrophobicContact CD2-CD1 3.79Å; F100-L162 HydrophobicContact CD2-CG 4.47Å; F100-L162 HydrophobicContact CE2-CB 4.37Å; F100-L162 HydrophobicContact CG-CD1 4.31Å; F100-M609 HydrophobicContact CB-SD 3.65Å; F100-I611 HydrophobicContact CD1-CD1 3.46Å; F100-I611 VanDerWaalsContact CD1-CD1 3.46Å; F100-I611 HydrophobicContact CD1-CG1 4.35Å; F100-I611 HydrophobicContact CE1-CD1 3.44Å; F100-I611 VanDerWaalsContact CE1-CD1 3.44Å; F100-I624 HydrophobicContact CB-CD1 4.03Å; F100-I624 HydrophobicContact CD1-CD1 3.71Å; F100-I624 HydrophobicContact CE1-CD1 4.47Å; F100-I624 HydrophobicContact CG-CD1 4.06Å
101	A	83.5	Confident	83.7	Confident	16 Å²	16	29.6 Å²	29.6	13%	0.132	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142	-178.8	0	0	0	0	0	111.7	F109 I110 Q161	A101-F109 CarbonylContact C-O 3.6Å; A101-F109 WeakPolarHBondContact CA-O 3.31Å; A101-I110 HydrophobicContact CB-CG1 4.4Å; A101-Q161 PolarHBondContact N-O 3Å; A101-Q161 PolarHBondContact O-N 3.34Å
102	I	85.5	Confident	82.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.3	172.4	-56.3	175.3	0	0	0	107.5	F100 A108 F109 I148 L150 V158 T159 F160 I611 M614	F100-I102 HydrophobicContact CE1-CD1 3.56Å; F100-I102 HydrophobicContact CE1-CG1 3.7Å; F100-I102 HydrophobicContact CZ-CD1 3.76Å; F100-I102 HydrophobicContact CZ-CG1 3.69Å; I102-A108 CarbonylContact O-C 3.57Å; I102-A108 WeakPolarHBondContact O-CA 3.2Å; I102-F109 HydrophobicContact CB-CB 4.38Å; I102-F109 PolarHBondContact N-O 2.75Å; I102-F109 WeakPolarHBondContact O-CD2 3.28Å; I102-F109 PolarHBondContact O-N 3.18Å; I102-I148 HydrophobicContact CD1-CD1 3.71Å; I102-L150 HydrophobicContact CG2-CD2 4.12Å; I102-V158 HydrophobicContact CG2-CG1 3.78Å; I102-T159 CarbonylContact C-O 3.52Å; I102-T159 WeakPolarHBondContact CA-O 3.41Å; I102-F160 HydrophobicContact CD1-CD1 4.06Å; I102-F160 HydrophobicContact CD1-CE1 3.98Å; I102-F160 HydrophobicContact CG1-CD1 3.78Å; I102-F160 HydrophobicContact CG1-CE1 4.1Å; I102-F160 HydrophobicContact CG2-CD1 4.16Å; I102-F160 HydrophobicContact CG2-CE1 3.98Å; I102-I611 HydrophobicContact CD1-CD1 4.35Å; I102-M614 HydrophobicContact CB-CE 3.79Å; I102-M614 HydrophobicContact CD1-CE 3.43Å; I102-M614 VanDerWaalsContact CD1-CE 3.43Å; I102-M614 HydrophobicContact CD1-SD 3.88Å; I102-M614 HydrophobicContact CG1-CE 4.13Å; I102-M614 HydrophobicContact CG2-CE 3.96Å
103	T	80.8	Confident	82.3	Confident	46 Å²	46	32.6 Å²	32.6	28%	0.282	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113	175.1	-53.4	0	0	0	0	109.2	N107 V158 T159	T103-N107 CarbonylContact C-O 3.46Å; T103-N107 VanDerWaalsContact CA-O 3.29Å; T103-N107 WeakPolarHBondContact CA-O 3.35Å; T103-V158 CarbonylContact O-C 3.58Å; T103-V158 VanDerWaalsContact O-CA 3.29Å; T103-V158 WeakPolarHBondContact O-CA 3.36Å; T103-T159 PolarHBondContact N-O 2.8Å; T103-T159 PolarHBondContact O-N 2.92Å
104	A	77.3	Confident	81.8	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.8	177.5	0	0	0	0	0	109.4	G106 N107 V158 L645	A104-G106 PolarHBondContact O-N 2.81Å; A104-G106 VanDerWaalsContact O-N 3.09Å; A104-N107 PolarHBondContact N-O 2.96Å; A104-N107 PolarHBondContact O-N 2.84Å; A104-V158 HydrophobicContact CB-CB 4.47Å; A104-V158 HydrophobicContact CB-CG1 4.22Å; A104-V158 HydrophobicContact CB-CG2 3.73Å; A104-L645 HydrophobicContact CB-CD1 3.65Å
105	D	69.5	Low	81.3	Confident	81 Å²	81	32.2 Å²	32.2	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.7	175.5	-53.3	-34.6	0	0	0	114.6	S156 K157	D105-S156 VanDerWaalsContact OD1-CA 3.3Å; D105-S156 WeakPolarHBondContact OD1-CA 3.46Å; D105-S156 WeakPolarHBondContact OD1-CB 3.39Å; D105-S156 PolarHBondContact OD1-OG 3.47Å; D105-S156 VanDerWaalsContact OD1-OG 3.14Å; D105-S156 WeakPolarHBondContact OD2-CB 3.04Å; D105-S156 PolarHBondContact OD2-OG 2.97Å; D105-K157 PolarHBondContact N-O 3.47Å; D105-K157 PolarHBondContact OD1-N 2.96Å
106	G	61.7	Low	80.8	Confident	44 Å²	44	34.9 Å²	34.9	45%	0.454	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-12	-179.8	0	0	0	0	0	115.3	A104	A104-G106 PolarHBondContact O-N 2.81Å; A104-G106 VanDerWaalsContact O-N 3.09Å
107	N	61.2	Low	79.9	Confident	105 Å²	105	38 Å²	38	56%	0.561	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.6	176.2	-66	-46.5	0	0	0	111.2	T103 A104 F109	T103-N107 CarbonylContact C-O 3.46Å; T103-N107 VanDerWaalsContact CA-O 3.29Å; T103-N107 WeakPolarHBondContact CA-O 3.35Å; A104-N107 PolarHBondContact N-O 2.96Å; A104-N107 PolarHBondContact O-N 2.84Å; N107-F109 HydrophobicContact CB-CE2 3.98Å; N107-F109 HydrophobicContact CB-CZ 4.2Å
108	A	70.4	Confident	78.9	Confident	35 Å²	35	40.8 Å²	40.8	29%	0.289	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.4	176	0	0	0	0	0	111.8	I102 M769	I102-A108 CarbonylContact O-C 3.57Å; I102-A108 WeakPolarHBondContact O-CA 3.2Å; A108-M769 HydrophobicContact CB-CB 4.44Å; A108-M769 WeakPolarHBondContact CB-O 3.45Å
109	F	75.7	Confident	78.2	Confident	35 Å²	35	40.1 Å²	40.1	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.7	175.3	-55.5	-91.2	0	0	0	108	A101 I102 N107 I611 R612 M614 L645	A101-F109 CarbonylContact C-O 3.6Å; A101-F109 WeakPolarHBondContact CA-O 3.31Å; I102-F109 HydrophobicContact CB-CB 4.38Å; I102-F109 PolarHBondContact N-O 2.75Å; I102-F109 WeakPolarHBondContact O-CD2 3.28Å; I102-F109 PolarHBondContact O-N 3.18Å; N107-F109 HydrophobicContact CB-CE2 3.98Å; N107-F109 HydrophobicContact CB-CZ 4.2Å; F109-I611 HydrophobicContact CB-CG2 3.99Å; F109-R612 WeakPolarHBondContact CD1-O 3.45Å; F109-M614 HydrophobicContact CB-CE 3.5Å; F109-M614 HydrophobicContact CD1-CE 4.09Å; F109-M614 HydrophobicContact CD1-CG 4.42Å; F109-M614 HydrophobicContact CD2-CE 3.68Å; F109-M614 HydrophobicContact CE2-CE 4.44Å; F109-M614 HydrophobicContact CG-CE 3.49Å; F109-M614 VanDerWaalsContact CG-CE 3.49Å; F109-L645 HydrophobicContact CD2-CD2 4.13Å; F109-L645 HydrophobicContact CE1-CD2 4.34Å; F109-L645 HydrophobicContact CE2-CD2 3.66Å; F109-L645 HydrophobicContact CZ-CD2 3.77Å
110	I	74.2	Confident	77.4	Confident	41 Å²	41	40.3 Å²	40.3	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145	-174.3	-55.4	170.3	0	0	0	109.3	A101 M769	A101-I110 HydrophobicContact CB-CG1 4.4Å; I110-M769 HydrophobicContact CD1-CB 3.95Å
111	G	76.6	Confident	76.5	Confident	7 Å²	7	46.1 Å²	46.1	7%	0.072	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	124.8	174.7	0	0	0	0	0	113.2	F100 M609	F100-G111 PolarHBondContact O-N 3.08Å; G111-M609 VanDerWaalsContact CA-CG 3.45Å
112	D	79	Confident	75.5	Confident	32 Å²	32	47.8 Å²	47.8	17%	0.171	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114	171.6	-73.3	-32.6	0	0	0	110.5	K114 M609 S610 R612	D112-K114 WeakPolarHBondContact O-CE 3.25Å; D112-K114 IonicContact OD2-NZ 4Å; D112-M609 WeakPolarHBondContact O-CA 3.32Å; D112-S610 PolarHBondContact N-O 3.1Å; D112-S610 PolarHBondContact O-N 3.21Å; D112-R612 IonicContact OD2-CZ 2.79Å; D112-R612 VanDerWaalsContact OD2-CZ 3.31Å; D112-R612 IonicContact OD2-NE 3.57Å; D112-R612 PolarHBondContact OD2-NE 2.89Å; D112-R612 IonicContact OD2-NH2 2.88Å; D112-R612 PolarHBondContact OD2-NH2 2.94Å
113	I	84	Confident	74.6	Confident	41 Å²	41	48.7 Å²	48.7	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.7	171.5	-57.5	175.7	0	0	0	110.3	L598 G601 V603 T607 S608 M609	I113-L598 HydrophobicContact CG2-CD2 4.27Å; I113-G601 WeakPolarHBondContact CD1-O 3.32Å; I113-V603 HydrophobicContact CD1-CG2 4.36Å; I113-V603 HydrophobicContact CG1-CG2 4.39Å; I113-T607 HydrophobicContact CG2-CG2 4.44Å; I113-S608 WeakPolarHBondContact CA-O 3.33Å; I113-M609 HydrophobicContact CD1-CE 3.68Å; I113-M609 HydrophobicContact CG1-CB 4.04Å; I113-M609 HydrophobicContact CG1-CE 3.53Å; I113-M609 HydrophobicContact CG1-CG 4.24Å
114	K	83.6	Confident	73.6	Confident	49 Å²	49	54.7 Å²	54.7	21%	0.213	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	171.7	177.5	63.4	-161.2	65.5	171.1	0	111.1	D112 K116 T118 A119 T607 S608 S610	D112-K114 WeakPolarHBondContact O-CE 3.25Å; D112-K114 IonicContact OD2-NZ 4Å; K114-K116 PolarHBondContact O-N 2.96Å; K114-T118 HydrophobicContact CD-CG2 4.47Å; K114-A119 HydrophobicContact CD-CB 4.02Å; K114-A119 HydrophobicContact CG-CB 3.85Å; K114-T607 CarbonylContact O-C 3.51Å; K114-T607 WeakPolarHBondContact O-CA 3.38Å; K114-S608 PolarHBondContact N-O 2.9Å; K114-S608 PolarHBondContact O-N 2.83Å; K114-S610 VanDerWaalsContact CE-OG 3.23Å; K114-S610 WeakPolarHBondContact CE-OG 3.31Å; K114-S610 PolarHBondContact NZ-OG 2.81Å
115	D	83.9	Confident	72.5	Confident	50 Å²	50	63.7 Å²	63.7	27%	0.267	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	129.5	169.3	171.2	0.9	0	0	0	110.6	V117 T118 A119 L594	D115-V117 VanDerWaalsContact C-N 3.27Å; D115-V117 PolarHBondContact O-N 3.32Å; D115-V117 PolarHBondContact OD1-N 2.75Å; D115-T118 WeakPolarHBondContact O-CA 3.44Å; D115-T118 WeakPolarHBondContact O-CB 3.12Å; D115-T118 PolarHBondContact O-N 2.99Å; D115-A119 PolarHBondContact O-N 3.06Å; D115-L594 HydrophobicContact CB-CD1 4.25Å
116	K	85.9	Confident	71.8	Confident	58 Å²	58	61.6 Å²	61.6	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-53.9	-41.8	-179.8	-179.8	165.1	-169	176.1	0	112.5	K114 T118 A119 W120 P605 L606 S608 D625	K114-K116 PolarHBondContact O-N 2.96Å; K116-T118 VanDerWaalsContact C-N 3.26Å; K116-T118 PolarHBondContact O-N 2.73Å; K116-A119 PolarHBondContact O-N 3.25Å; K116-W120 WeakPolarHBondContact O-CB 3.4Å; K116-W120 PolarHBondContact O-N 2.87Å; K116-P605 WeakPolarHBondContact CD-O 3.45Å; K116-L606 WeakPolarHBondContact CB-O 3.45Å; K116-L606 PolarHBondContact N-O 3.32Å; K116-L606 VanDerWaalsContact N-O 3.08Å; K116-S608 VanDerWaalsContact CA-OG 3.28Å; K116-S608 WeakPolarHBondContact CA-OG 3.44Å; K116-S608 WeakPolarHBondContact CB-OG 3.47Å; K116-S608 WeakPolarHBondContact CG-OG 3.29Å; K116-D625 WeakPolarHBondContact CE-OD1 3.29Å; K116-D625 IonicContact NZ-OD1 3.98Å
117	V	78.7	Confident	70.9	Confident	68 Å²	68	64 Å²	64	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-39.6	177.6	177.7	0	0	0	0	110.8	D115 K121	D115-V117 VanDerWaalsContact C-N 3.27Å; D115-V117 PolarHBondContact O-N 3.32Å; D115-V117 PolarHBondContact OD1-N 2.75Å; V117-K121 WeakPolarHBondContact O-CG 3.19Å; V117-K121 PolarHBondContact O-N 2.91Å
118	T	77.6	Confident	70.3	Confident	65 Å²	65	62.5 Å²	62.5	40%	0.399	32%	0.32	S	S	.	.	H	α-helix	trans	-71.5	-41.8	179.7	-66.8	0	0	0	0	112.1	K114 D115 K116 W120 K121	K114-T118 HydrophobicContact CD-CG2 4.47Å; D115-T118 WeakPolarHBondContact O-CA 3.44Å; D115-T118 WeakPolarHBondContact O-CB 3.12Å; D115-T118 PolarHBondContact O-N 2.99Å; K116-T118 VanDerWaalsContact C-N 3.26Å; K116-T118 PolarHBondContact O-N 2.73Å; T118-W120 VanDerWaalsContact C-N 3.29Å; T118-W120 PolarHBondContact O-N 2.98Å; T118-K121 PolarHBondContact O-N 2.86Å
119	A	73.9	Confident	69.1	Low	5 Å²	5	65.2 Å²	65.2	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-38.2	176.1	0	0	0	0	0	112.2	K114 D115 K116 K121 I623	K114-A119 HydrophobicContact CD-CB 4.02Å; K114-A119 HydrophobicContact CG-CB 3.85Å; D115-A119 PolarHBondContact O-N 3.06Å; K116-A119 PolarHBondContact O-N 3.25Å; A119-K121 VanDerWaalsContact C-N 3.34Å; A119-K121 PolarHBondContact O-N 3.02Å; A119-I623 HydrophobicContact CB-CD1 4.31Å; A119-I623 WeakPolarHBondContact O-CD1 3.4Å
120	W	71.7	Confident	67.6	Low	65 Å²	65	65.8 Å²	65.8	25%	0.246	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.5	-176.6	-78.5	54.5	0	0	0	114.7	K116 T118 Q122 Y123 R124 G130 D625	K116-W120 WeakPolarHBondContact O-CB 3.4Å; K116-W120 PolarHBondContact O-N 2.87Å; T118-W120 VanDerWaalsContact C-N 3.29Å; T118-W120 PolarHBondContact O-N 2.98Å; W120-Q122 PolarHBondContact O-N 2.7Å; W120-Y123 PolarHBondContact O-N 3.3Å; W120-R124 PolarHBondContact O-N 3.32Å; W120-G130 WeakPolarHBondContact CH2-O 3.2Å; W120-G130 VanDerWaalsContact CZ3-O 3.26Å; W120-G130 WeakPolarHBondContact CZ3-O 2.89Å; W120-D625 VanDerWaalsContact CZ2-OD2 3.31Å; W120-D625 WeakPolarHBondContact CZ2-OD2 3.45Å; W120-D625 PolarHBondContact NE1-OD2 2.89Å
121	K	70.9	Confident	66.5	Low	122 Å²	122	68.4 Å²	68.4	53%	0.53	36%	0.364	S	S	.	.	H	α-helix	trans	-55.3	-36	178.7	-77.9	177.9	-179.4	173.3	0	113.3	V117 T118 A119	V117-K121 WeakPolarHBondContact O-CG 3.19Å; V117-K121 PolarHBondContact O-N 2.91Å; T118-K121 PolarHBondContact O-N 2.86Å; A119-K121 VanDerWaalsContact C-N 3.34Å; A119-K121 PolarHBondContact O-N 3.02Å
122	Q	64.1	Low	65.4	Low	52 Å²	52	70.3 Å²	70.3	24%	0.243	37%	0.373	C	S	.	.	H	α-helix	trans	-70.3	-35.9	178.4	66.8	-168.7	-13.5	0	0	112.4	W120	W120-Q122 PolarHBondContact O-N 2.7Å
123	Y	65	Low	64.4	Low	19 Å²	19	69.7 Å²	69.7	8%	0.075	37%	0.372	C	S	.	.	H	α-helix	trans	-74.7	-36.8	179.2	-78.5	-86	0	0	0	112.5	W120 K125 A126 A133 L620 K621 I623	W120-Y123 PolarHBondContact O-N 3.3Å; Y123-K125 PolarHBondContact O-N 2.98Å; Y123-A126 PolarHBondContact O-N 3.15Å; Y123-A126 VanDerWaalsContact O-N 3.07Å; Y123-A133 HydrophobicContact CD1-CB 3.79Å; Y123-A133 HydrophobicContact CE1-CB 3.08Å; Y123-L620 HydrophobicContact CD1-CD1 3.62Å; Y123-L620 HydrophobicContact CE1-CB 3.87Å; Y123-L620 HydrophobicContact CE1-CD1 3.36Å; Y123-L620 HydrophobicContact CE1-CG 4.12Å; Y123-L620 HydrophobicContact CE2-CB 4.35Å; Y123-K621 PolarHBondContact OH-O 3.24Å; Y123-I623 HydrophobicContact CD2-CD1 3.32Å; Y123-I623 HydrophobicContact CD2-CG1 4.27Å; Y123-I623 HydrophobicContact CE2-CB 4.4Å; Y123-I623 HydrophobicContact CE2-CD1 3.14Å; Y123-I623 HydrophobicContact CE2-CG1 3.58Å
124	R	59.9	Low	63.5	Low	171 Å²	171	68.6 Å²	68.6	65%	0.645	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-33.2	175.6	-71.6	-176.7	-177.4	179.9	0.9	112.9	W120	W120-R124 PolarHBondContact O-N 3.32Å
125	K	54.5	Low	63.1	Low	193 Å²	193	66.8 Å²	66.8	84%	0.839	36%	0.364	S	S	*	.	H	α-helix	trans	-76.1	-23.8	176.5	-72.2	-173.4	176.4	-172.1	0	113.4	Y123 A127	Y123-K125 PolarHBondContact O-N 2.98Å; K125-A127 VanDerWaalsContact C-N 3.32Å
126	A	55.4	Low	63	Low	37 Å²	37	64.9 Å²	64.9	31%	0.306	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.3	-178.1	0	0	0	0	0	114	Y123 I128 L620	Y123-A126 PolarHBondContact O-N 3.15Å; Y123-A126 VanDerWaalsContact O-N 3.07Å; A126-I128 PolarHBondContact O-N 3.04Å; A126-L620 HydrophobicContact CB-CD1 4Å; A126-L620 HydrophobicContact CB-CD2 4.01Å
127	A	43	Very low	62.7	Low	95 Å²	95	63.6 Å²	63.6	79%	0.785	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	45.1	176.2	0	0	0	0	0	115	K125	K125-A127 VanDerWaalsContact C-N 3.32Å
128	I	48.7	Very low	62.8	Low	72 Å²	72	61.4 Å²	61.4	37%	0.369	34%	0.337	S	S	.	.			trans	-119.8	129.5	173.5	-62.9	175	0	0	0	109.4	A126 G130	A126-I128 PolarHBondContact O-N 3.04Å; I128-G130 PolarHBondContact O-N 3.38Å; I128-G130 VanDerWaalsContact O-N 3.13Å
129	S	44.6	Very low	63	Low	92 Å²	92	59.9 Å²	59.9	64%	0.643	33%	0.328	S	S	*	.			trans	-55.2	109.9	-177.7	46.7	0	0	0	0	112.8	E131	S129-E131 PolarHBondContact O-N 3.11Å
130	G	44.3	Very low	63.4	Low	47 Å²	47	61.5 Å²	61.5	49%	0.485	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn		77.6	-54.3	124.8	0	0	0	0	0	118.9	W120 I128	W120-G130 WeakPolarHBondContact CH2-O 3.2Å; W120-G130 VanDerWaalsContact CZ3-O 3.26Å; W120-G130 WeakPolarHBondContact CZ3-O 2.89Å; I128-G130 PolarHBondContact O-N 3.38Å; I128-G130 VanDerWaalsContact O-N 3.13Å
131	E	50.3	Low	64.1	Low	96 Å²	96	61.6 Å²	61.6	45%	0.449	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	-4.6	-163.9	-92.1	156.6	-161.3	0	0	114.3	S129 A133 P632	S129-E131 PolarHBondContact O-N 3.11Å; E131-A133 PolarHBondContact O-N 2.8Å; E131-P632 WeakPolarHBondContact OE2-CD 3.03Å
132	N	55.1	Low	64.9	Low	48 Å²	48	60.4 Å²	60.4	26%	0.257	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.4	-167.3	-73.7	-30.3	0	0	0	115.9	R137 L637	N132-R137 PolarHBondContact O-NH2 3.05Å; N132-L637 WeakPolarHBondContact OD1-CD2 3.35Å
133	A	56.5	Low	66.2	Low	18 Å²	18	58.6 Å²	58.6	15%	0.149	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-9.5	-174.7	0	0	0	0	0	115.6	Y123 E131	Y123-A133 HydrophobicContact CD1-CB 3.79Å; Y123-A133 HydrophobicContact CE1-CB 3.08Å; E131-A133 PolarHBondContact O-N 2.8Å
134	G	65.2	Low	67.5	Low	18 Å²	18	58 Å²	58	19%	0.186	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-68.3	135	178.5	0	0	0	0	0	111.9	V136 I623	G134-V136 PolarHBondContact O-N 2.89Å; G134-I623 WeakPolarHBondContact CA-O 3.33Å
135	L	76.8	Confident	69	Low	11 Å²	11	51 Å²	51	6%	0.058	31%	0.313	C	S	.	.	S	Bend	trans	-69	-17	174.3	-61	-172.2	0	0	0	112.9	F146 T147 I148 P622 I623 I624 F643	L135-F146 HydrophobicContact CD1-CZ 4.2Å; L135-F146 WeakPolarHBondContact O-CA 3.41Å; L135-T147 WeakPolarHBondContact CD2-O 3.21Å; L135-T147 PolarHBondContact O-N 2.76Å; L135-I148 HydrophobicContact CD1-CB 4.13Å; L135-I148 HydrophobicContact CD1-CD1 3.99Å; L135-I148 HydrophobicContact CD1-CG1 4.24Å; L135-I148 HydrophobicContact CD2-CB 4.23Å; L135-I148 HydrophobicContact CD2-CG1 4.16Å; L135-P622 HydrophobicContact CD1-CB 3.86Å; L135-P622 HydrophobicContact CD2-CB 4.37Å; L135-P622 HydrophobicContact CG-CB 4.29Å; L135-I623 WeakPolarHBondContact CG-O 3.47Å; L135-I623 PolarHBondContact N-O 2.94Å; L135-I624 HydrophobicContact CB-CG1 4.08Å; L135-I624 HydrophobicContact CD1-CD1 4.21Å; L135-I624 HydrophobicContact CD1-CG1 3.71Å; L135-I624 HydrophobicContact CG-CG1 4.21Å; L135-F643 HydrophobicContact CD2-CD2 4.45Å; L135-F643 HydrophobicContact CD2-CE2 3.57Å; L135-F643 HydrophobicContact CD2-CZ 4.06Å
136	V	80.4	Confident	70.8	Confident	10 Å²	10	41.8 Å²	41.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.1	-177.6	-175.6	0	0	0	0	110.2	I97 G134 E144 Q145 F146 I624 P627	I97-V136 HydrophobicContact CD1-CG2 3.91Å; G134-V136 PolarHBondContact O-N 2.89Å; V136-E144 HydrophobicContact CG1-CB 3.86Å; V136-E144 HydrophobicContact CG1-CG 4.45Å; V136-Q145 CarbonylContact C-O 3.55Å; V136-Q145 VanDerWaalsContact CA-O 3.27Å; V136-Q145 WeakPolarHBondContact CA-O 3.43Å; V136-F146 HydrophobicContact CG2-CB 4.4Å; V136-F146 HydrophobicContact CG2-CD2 3.47Å; V136-F146 VanDerWaalsContact CG2-CD2 3.47Å; V136-F146 HydrophobicContact CG2-CE2 4.08Å; V136-F146 HydrophobicContact CG2-CG 4.26Å; V136-I624 HydrophobicContact CG2-CG2 3.79Å; V136-P627 HydrophobicContact CB-CG 4.5Å; V136-P627 HydrophobicContact CG1-CG 3.85Å
137	R	80.6	Confident	72.5	Confident	32 Å²	32	40.6 Å²	40.6	12%	0.121	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.7	179.7	-59.5	-179.8	178	-173	0.7	110.3	N132 S139 E144 Q145	N132-R137 PolarHBondContact O-NH2 3.05Å; R137-S139 PolarHBondContact O-N 2.99Å; R137-E144 CarbonylContact O-C 3.53Å; R137-E144 VanDerWaalsContact O-CA 3.26Å; R137-E144 WeakPolarHBondContact O-CA 3.36Å; R137-Q145 PolarHBondContact N-O 3.15Å; R137-Q145 PolarHBondContact O-N 2.99Å
138	A	81.3	Confident	74.7	Confident	22 Å²	22	36.1 Å²	36.1	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133	171.7	0	0	0	0	0	110.3
139	S	81.8	Confident	76.7	Confident	32 Å²	32	34.4 Å²	34.4	22%	0.224	22%	0.215	C	C	.	.			trans	-126.3	-3	-176.6	63.7	0	0	0	0	114.7	R137 M143 Q145	R137-S139 PolarHBondContact O-N 2.99Å; S139-M143 PolarHBondContact N-O 2.92Å; S139-M143 PolarHBondContact OG-O 3.38Å; S139-Q145 PolarHBondContact OG-N 3.47Å
140	G	82.2	Confident	78.8	Confident	40 Å²	40	30 Å²	30	41%	0.412	19%	0.185	S	C	.	.	S	Bend	trans	-175.7	-164.6	173.1	0	0	0	0	0	111.1	K93 T142 M143	K93-G140 WeakPolarHBondContact CE-O 3.27Å; G140-T142 PolarHBondContact O-N 3.33Å; G140-M143 PolarHBondContact N-O 3.26Å
141	R	86.4	Confident	80.9	Confident	67 Å²	67	29.8 Å²	29.8	25%	0.253	17%	0.174	S	C	.	.	S	Bend	trans	-60.5	-47	-177.6	-57.7	-176.5	-175.9	170	4.1	111.9	K93 Y459 D461 D463 Q467	K93-R141 WeakPolarHBondContact CD-O 3.21Å; K93-R141 PolarHBondContact NZ-O 2.87Å; R141-Y459 HydrophobicContact CB-CD2 4.02Å; R141-Y459 HydrophobicContact CB-CE1 4.32Å; R141-Y459 HydrophobicContact CB-CE2 3.53Å; R141-Y459 HydrophobicContact CG-CD1 3.92Å; R141-Y459 HydrophobicContact CG-CD2 3.5Å; R141-Y459 VanDerWaalsContact CG-CD2 3.5Å; R141-Y459 HydrophobicContact CG-CE1 3.97Å; R141-Y459 HydrophobicContact CG-CE2 3.53Å; R141-Y459 HydrophobicContact CG-CG 3.69Å; R141-Y459 PolarHBondContact O-OH 3.39Å; R141-D461 IonicContact CZ-OD2 3.9Å; R141-D461 VanDerWaalsContact NH2-CG 3.3Å; R141-D461 IonicContact NH2-OD2 2.89Å; R141-D461 PolarHBondContact NH2-OD2 2.96Å; R141-D463 IonicContact CZ-OD1 3.84Å; R141-D463 IonicContact CZ-OD2 3.56Å; R141-D463 VanDerWaalsContact NH1-CG 3.33Å; R141-D463 IonicContact NH1-OD1 3.16Å; R141-D463 PolarHBondContact NH1-OD1 2.86Å; R141-D463 VanDerWaalsContact NH1-OD1 3.11Å; R141-D463 IonicContact NH1-OD2 3.22Å; R141-D463 PolarHBondContact NH1-OD2 3.18Å; R141-D463 IonicContact NH2-OD1 3.85Å; R141-D463 PolarHBondContact NH2-OD1 2.76Å; R141-D463 IonicContact NH2-OD2 3.5Å; R141-Q467 VanDerWaalsContact NH1-CD 3.26Å; R141-Q467 VanDerWaalsContact NH1-NE2 3.14Å
142	T	87.9	Confident	82.7	Confident	97 Å²	97	25.3 Å²	25.3	60%	0.595	15%	0.153	S	C	*	.	S	Bend	trans	-121	3.1	-172.2	58.7	0	0	0	0	113.9	P92 K93 G140	P92-T142 WeakPolarHBondContact CA-O 3.37Å; K93-T142 PolarHBondContact N-O 3.18Å; G140-T142 PolarHBondContact O-N 3.33Å
143	M	91.4	Very high	84.2	Confident	13 Å²	13	27.3 Å²	27.3	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.5	-173.6	-65.4	-65.1	-179.4	0	0	112.5	E90 I91 P92 S139 G140 V178	E90-M143 HydrophobicContact CB-CB 4.35Å; I91-M143 CarbonylContact O-C 3.54Å; I91-M143 WeakPolarHBondContact O-CA 3.4Å; P92-M143 HydrophobicContact CB-SD 4.35Å; P92-M143 HydrophobicContact CG-CE 4.37Å; P92-M143 HydrophobicContact CG-SD 4.18Å; S139-M143 PolarHBondContact N-O 2.92Å; S139-M143 PolarHBondContact OG-O 3.38Å; G140-M143 PolarHBondContact N-O 3.26Å; M143-V178 HydrophobicContact CE-CB 3.73Å; M143-V178 HydrophobicContact CE-CG1 3.62Å
144	E	91.3	Very high	85.8	Confident	7 Å²	7	29.1 Å²	29.1	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.7	172.1	-69.8	165.1	-173.7	0	0	108.6	E90 I91 K93 V136 R137 K626 P627	E90-E144 CarbonylContact C-O 3.52Å; E90-E144 VanDerWaalsContact CA-O 3.25Å; E90-E144 WeakPolarHBondContact CA-O 3.32Å; I91-E144 HydrophobicContact CG1-CB 4.1Å; I91-E144 PolarHBondContact N-O 3.33Å; I91-E144 PolarHBondContact O-N 3.2Å; K93-E144 HydrophobicContact CG-CG 3.73Å; V136-E144 HydrophobicContact CG1-CB 3.86Å; V136-E144 HydrophobicContact CG1-CG 4.45Å; R137-E144 CarbonylContact O-C 3.53Å; R137-E144 VanDerWaalsContact O-CA 3.26Å; R137-E144 WeakPolarHBondContact O-CA 3.36Å; E144-K626 WeakPolarHBondContact OE1-CE 3.32Å; E144-K626 IonicContact OE1-NZ 3.5Å; E144-K626 PolarHBondContact OE1-NZ 2.73Å; E144-K626 IonicContact OE2-NZ 2.82Å; E144-K626 PolarHBondContact OE2-NZ 2.75Å; E144-P627 HydrophobicContact CG-CG 4.24Å
145	Q	91.7	Very high	86.9	Confident	23 Å²	23	35.1 Å²	35.1	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	123.6	171.7	-167.3	76	50.3	0	0	109.2	D88 V89 V136 R137 S139 T147	D88-Q145 WeakPolarHBondContact OD1-CG 3.43Å; D88-Q145 PolarHBondContact OD1-NE2 3.4Å; V89-Q145 PolarHBondContact O-NE2 3.11Å; V136-Q145 CarbonylContact C-O 3.55Å; V136-Q145 VanDerWaalsContact CA-O 3.27Å; V136-Q145 WeakPolarHBondContact CA-O 3.43Å; R137-Q145 PolarHBondContact N-O 3.15Å; R137-Q145 PolarHBondContact O-N 2.99Å; S139-Q145 PolarHBondContact OG-N 3.47Å; Q145-T147 WeakPolarHBondContact CG-OG1 3.33Å
146	F	92.9	Very high	87.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.3	162.7	-172.8	-74	0	0	0	108.4	F87 D88 V89 I97 F100 L135 V136 I148 L162 I624	F87-F146 AromaticContact CD1-CD1 3.75Å; F87-F146 HydrophobicContact CD1-CD1 3.75Å; F87-F146 AromaticContact CD1-CE1 3.69Å; F87-F146 HydrophobicContact CD1-CE1 3.69Å; F87-F146 AromaticContact CE1-CD1 3.81Å; F87-F146 HydrophobicContact CE1-CD1 3.81Å; F87-F146 AromaticContact CE1-CE1 3.89Å; F87-F146 HydrophobicContact CE1-CE1 3.89Å; D88-F146 WeakPolarHBondContact CA-O 3.27Å; V89-F146 HydrophobicContact CG2-CB 3.98Å; V89-F146 PolarHBondContact N-O 2.91Å; V89-F146 PolarHBondContact O-N 3.38Å; I97-F146 HydrophobicContact CD1-CD2 4.01Å; I97-F146 HydrophobicContact CD1-CE2 4.27Å; F100-F146 AromaticContact CD1-CZ 4Å; F100-F146 HydrophobicContact CD1-CZ 4Å; F100-F146 HydrophobicContact CD2-CE1 4.31Å; F100-F146 AromaticContact CD2-CZ 3.81Å; F100-F146 HydrophobicContact CD2-CZ 3.81Å; F100-F146 HydrophobicContact CE1-CE1 4.28Å; F100-F146 AromaticContact CE1-CZ 3.82Å; F100-F146 HydrophobicContact CE1-CZ 3.82Å; F100-F146 AromaticContact CE2-CE1 3.75Å; F100-F146 HydrophobicContact CE2-CE1 3.75Å; F100-F146 AromaticContact CE2-CZ 3.66Å; F100-F146 HydrophobicContact CE2-CZ 3.66Å; F100-F146 AromaticContact CG-CZ 3.98Å; F100-F146 HydrophobicContact CG-CZ 3.98Å; F100-F146 AromaticContact CZ-CE1 3.72Å; F100-F146 HydrophobicContact CZ-CE1 3.72Å; F100-F146 AromaticContact CZ-CZ 3.66Å; F100-F146 HydrophobicContact CZ-CZ 3.66Å; L135-F146 HydrophobicContact CD1-CZ 4.2Å; L135-F146 WeakPolarHBondContact O-CA 3.41Å; V136-F146 HydrophobicContact CG2-CB 4.4Å; V136-F146 HydrophobicContact CG2-CD2 3.47Å; V136-F146 VanDerWaalsContact CG2-CD2 3.47Å; V136-F146 HydrophobicContact CG2-CE2 4.08Å; V136-F146 HydrophobicContact CG2-CG 4.26Å; F146-I148 HydrophobicContact CE1-CG2 4.2Å; F146-L162 HydrophobicContact CB-CD2 4.3Å; F146-L162 HydrophobicContact CD1-CD2 4.46Å; F146-L162 HydrophobicContact CD2-CD1 4.07Å; F146-L162 HydrophobicContact CD2-CD2 3.99Å; F146-L162 HydrophobicContact CE2-CD1 3.81Å; F146-L162 HydrophobicContact CE2-CD2 4.47Å; F146-L162 HydrophobicContact CG-CD2 4Å; F146-L162 HydrophobicContact CZ-CD1 4.29Å; F146-I624 HydrophobicContact CE2-CD1 3.71Å; F146-I624 HydrophobicContact CE2-CG1 3.83Å; F146-I624 HydrophobicContact CE2-CG2 4.11Å; F146-I624 HydrophobicContact CZ-CD1 3.85Å; F146-I624 HydrophobicContact CZ-CG1 4.19Å
147	T	90.3	Very high	87.9	Confident	12 Å²	12	39 Å²	39	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.9	175.4	-48.2	0	0	0	0	110.8	F87 D88 L135 Q145 H149 R640	F87-T147 WeakPolarHBondContact O-CA 3.49Å; D88-T147 HydrophobicContact CB-CG2 4.3Å; D88-T147 PolarHBondContact OD1-OG1 3.34Å; L135-T147 WeakPolarHBondContact CD2-O 3.21Å; L135-T147 PolarHBondContact O-N 2.76Å; Q145-T147 WeakPolarHBondContact CG-OG1 3.33Å; T147-H149 WeakPolarHBondContact CG2-NE2 3.33Å; T147-R640 VanDerWaalsContact OG1-CZ 3.23Å; T147-R640 PolarHBondContact OG1-NH1 2.81Å; T147-R640 PolarHBondContact OG1-NH2 2.87Å
148	I	89.4	Confident	88.4	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.8	162	-169.9	173.6	0	0	0	110.6	A86 F87 F100 I102 L135 F146 F160 M614 F643	A86-I148 WeakPolarHBondContact CA-O 3.37Å; F87-I148 HydrophobicContact CB-CG2 3.8Å; F87-I148 HydrophobicContact CD1-CG2 4.33Å; F87-I148 PolarHBondContact N-O 2.93Å; F87-I148 PolarHBondContact O-N 3.46Å; F100-I148 HydrophobicContact CE1-CD1 4.47Å; F100-I148 HydrophobicContact CZ-CG2 4.09Å; I102-I148 HydrophobicContact CD1-CD1 3.71Å; L135-I148 HydrophobicContact CD1-CB 4.13Å; L135-I148 HydrophobicContact CD1-CD1 3.99Å; L135-I148 HydrophobicContact CD1-CG1 4.24Å; L135-I148 HydrophobicContact CD2-CB 4.23Å; L135-I148 HydrophobicContact CD2-CG1 4.16Å; F146-I148 HydrophobicContact CE1-CG2 4.2Å; I148-F160 HydrophobicContact CG2-CD1 4.27Å; I148-F160 HydrophobicContact CG2-CE1 4.09Å; I148-M614 HydrophobicContact CD1-SD 4.41Å; I148-F643 HydrophobicContact CD1-CD2 4.49Å; I148-F643 HydrophobicContact CG1-CD2 4.03Å
149	H	89.7	Confident	88.8	Confident	36 Å²	36	37.8 Å²	37.8	17%	0.167	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.3	173.3	-74.7	-100.4	0	0	0	108.7	E84 T147 R640 T642 F643	E84-H149 WeakPolarHBondContact OE1-CB 3.31Å; E84-H149 IonicContact OE1-CE1 3.55Å; E84-H149 IonicContact OE1-CG 2.63Å; E84-H149 IonicContact OE1-ND1 3.98Å; E84-H149 PolarHBondContact OE1-ND1 3.15Å; T147-H149 WeakPolarHBondContact CG2-NE2 3.33Å; H149-R640 WeakPolarHBondContact NE2-CD 3.21Å; H149-T642 HydrophobicContact CB-CG2 4.28Å; H149-F643 PolarHBondContact O-N 2.94Å
150	L	89.6	Confident	89.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	-174.5	-172.3	69.5	0	0	0	110.7	V85 I102 V152 V158 F160 M614 F643 L645	V85-L150 HydrophobicContact CG2-CB 4.24Å; V85-L150 PolarHBondContact N-O 2.97Å; V85-L150 PolarHBondContact O-N 3.07Å; I102-L150 HydrophobicContact CG2-CD2 4.12Å; L150-V152 HydrophobicContact CD2-CG1 4.1Å; L150-V152 HydrophobicContact CG-CG1 4.23Å; L150-V158 HydrophobicContact CD2-CG1 4.23Å; L150-F160 HydrophobicContact CB-CZ 4.44Å; L150-F160 HydrophobicContact CD2-CE1 4.26Å; L150-F160 HydrophobicContact CD2-CZ 4.14Å; L150-M614 HydrophobicContact CD1-SD 4.07Å; L150-F643 WeakPolarHBondContact CA-O 3.43Å; L150-F643 HydrophobicContact CD1-CB 4.38Å; L150-L645 HydrophobicContact CD1-CD2 3.79Å; L150-L645 HydrophobicContact CD1-CG 3.88Å; L150-L645 HydrophobicContact CD2-CD1 4.36Å; L150-L645 HydrophobicContact CD2-CD2 4.13Å; L150-L645 HydrophobicContact CD2-CG 4.25Å; L150-L645 HydrophobicContact CG-CD2 4.46Å; L150-L645 HydrophobicContact CG-CG 4.32Å
151	T	88.7	Confident	89.9	Confident	42 Å²	42	37.9 Å²	37.9	26%	0.258	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.6	167.4	-53.5	0	0	0	0	109.8	A82 R83 F643	A82-T151 HydrophobicContact CB-CG2 4.1Å; R83-T151 WeakPolarHBondContact O-CA 3.35Å; T151-F643 PolarHBondContact N-O 2.75Å
152	V	88.1	Confident	90.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	151.4	-178.8	-51.9	0	0	0	0	110.8	N77 A82 R83 V85 L150 V158	N77-V152 HydrophobicContact CB-CG2 3.83Å; A82-V152 VanDerWaalsContact CA-O 3.24Å; A82-V152 WeakPolarHBondContact CA-O 3.38Å; A82-V152 WeakPolarHBondContact CB-O 3.31Å; R83-V152 PolarHBondContact N-O 2.87Å; R83-V152 WeakPolarHBondContact O-CG2 3.47Å; R83-V152 PolarHBondContact O-N 3.39Å; V85-V152 HydrophobicContact CB-CG1 4.47Å; V85-V152 HydrophobicContact CG1-CG1 4.12Å; V85-V152 HydrophobicContact CG1-CG2 3.72Å; V85-V152 HydrophobicContact CG2-CG1 3.53Å; L150-V152 HydrophobicContact CD2-CG1 4.1Å; L150-V152 HydrophobicContact CG-CG1 4.23Å; V152-V158 HydrophobicContact CB-CG2 4Å; V152-V158 HydrophobicContact CG1-CB 4.39Å; V152-V158 HydrophobicContact CG1-CG2 3.48Å; V152-V158 VanDerWaalsContact CG1-CG2 3.48Å
153	N	86.9	Confident	90.5	Very high	90 Å²	90	30.6 Å²	30.6	48%	0.481	16%	0.156	S	C	.	.			trans	-65.3	160.8	-179	-68.2	-34.4	0	0	0	112	N77 S156	N77-N153 PolarHBondContact ND2-O 3.26Å; N153-S156 WeakPolarHBondContact O-CB 3.21Å
154	P	88.7	Confident	90.8	Very high	56 Å²	56	30.2 Å²	30.2	36%	0.364	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	144.8	164.5	-23.5	32.2	0	0	0	111.6	A79 N80 S156	A79-P154 WeakPolarHBondContact O-CA 3.42Å; N80-P154 WeakPolarHBondContact O-CG 3.39Å; P154-S156 PolarHBondContact O-N 2.99Å
155	Q	89	Confident	91.1	Very high	144 Å²	144	30 Å²	30	67%	0.673	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	27.5	174.3	-56	-172.9	7.3	0	0	114.5	N77 A79 N80	N77-Q155 CarbonylContact O-C 3.58Å; N77-Q155 WeakPolarHBondContact O-CA 3.37Å; N77-Q155 PolarHBondContact O-N 2.88Å; A79-Q155 PolarHBondContact O-N 3.49Å; A79-Q155 VanDerWaalsContact O-N 3.11Å; N80-Q155 PolarHBondContact OD1-NE2 3.29Å
156	S	87.8	Confident	91.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	15%	0.151	C	C	.	.			trans	-93.3	152.9	-174.9	160.9	0	0	0	0	112.3	N77 D105 N153 P154 V158	N77-S156 PolarHBondContact N-O 3.23Å; N77-S156 PolarHBondContact O-N 2.84Å; D105-S156 VanDerWaalsContact OD1-CA 3.3Å; D105-S156 WeakPolarHBondContact OD1-CA 3.46Å; D105-S156 WeakPolarHBondContact OD1-CB 3.39Å; D105-S156 PolarHBondContact OD1-OG 3.47Å; D105-S156 VanDerWaalsContact OD1-OG 3.14Å; D105-S156 WeakPolarHBondContact OD2-CB 3.04Å; D105-S156 PolarHBondContact OD2-OG 2.97Å; N153-S156 WeakPolarHBondContact O-CB 3.21Å; P154-S156 PolarHBondContact O-N 2.99Å; S156-V158 WeakPolarHBondContact OG-CG2 3.29Å
157	K	90.4	Very high	91.7	Very high	100 Å²	100	30.2 Å²	30.2	44%	0.435	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	169.5	-179.8	-176.2	70.3	-171.3	0	109.8	Q74 V76 D105	Q74-K157 HydrophobicContact CG-CD 4.41Å; Q74-K157 HydrophobicContact CG-CG 4.06Å; V76-K157 HydrophobicContact CG2-CG 4.28Å; D105-K157 PolarHBondContact N-O 3.47Å; D105-K157 PolarHBondContact OD1-N 2.96Å
158	V	90.6	Very high	92.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.5	179	-173.7	0	0	0	0	110.9	Q74 V75 I102 T103 A104 L150 V152 S156 F160	Q74-V158 CarbonylContact C-O 3.57Å; Q74-V158 WeakPolarHBondContact CA-O 3.38Å; V75-V158 HydrophobicContact CG2-CB 3.95Å; V75-V158 PolarHBondContact N-O 3.15Å; V75-V158 PolarHBondContact O-N 3.01Å; I102-V158 HydrophobicContact CG2-CG1 3.78Å; T103-V158 CarbonylContact O-C 3.58Å; T103-V158 VanDerWaalsContact O-CA 3.29Å; T103-V158 WeakPolarHBondContact O-CA 3.36Å; A104-V158 HydrophobicContact CB-CB 4.47Å; A104-V158 HydrophobicContact CB-CG1 4.22Å; A104-V158 HydrophobicContact CB-CG2 3.73Å; L150-V158 HydrophobicContact CD2-CG1 4.23Å; V152-V158 HydrophobicContact CB-CG2 4Å; V152-V158 HydrophobicContact CG1-CB 4.39Å; V152-V158 HydrophobicContact CG1-CG2 3.48Å; V152-V158 VanDerWaalsContact CG1-CG2 3.48Å; S156-V158 WeakPolarHBondContact OG-CG2 3.29Å; V158-F160 HydrophobicContact CB-CE2 4.28Å; V158-F160 HydrophobicContact CG1-CD2 4.26Å; V158-F160 HydrophobicContact CG1-CE1 4.28Å; V158-F160 HydrophobicContact CG1-CE2 3.67Å; V158-F160 HydrophobicContact CG1-CZ 3.67Å
159	T	90.8	Very high	92.4	Very high	28 Å²	28	36.7 Å²	36.7	17%	0.172	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.2	176	-53	0	0	0	0	109.5	T72 S73 Q74 I102 T103	T72-T159 HydrophobicContact CG2-CG2 3.85Å; S73-T159 CarbonylContact O-C 3.47Å; S73-T159 WeakPolarHBondContact O-CA 3.48Å; Q74-T159 PolarHBondContact NE2-OG1 2.91Å; I102-T159 CarbonylContact C-O 3.52Å; I102-T159 WeakPolarHBondContact CA-O 3.41Å; T103-T159 PolarHBondContact N-O 2.8Å; T103-T159 PolarHBondContact O-N 2.92Å
160	F	93.5	Very high	92.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.8	173	-58.1	-90.9	0	0	0	108.9	T72 S73 V75 V85 F87 F100 I102 I148 L150 V158	T72-F160 CarbonylContact C-O 3.57Å; T72-F160 VanDerWaalsContact CA-O 3.28Å; T72-F160 WeakPolarHBondContact CA-O 3.48Å; S73-F160 PolarHBondContact N-O 2.76Å; S73-F160 PolarHBondContact O-N 2.84Å; V75-F160 HydrophobicContact CG2-CE2 3.84Å; V85-F160 HydrophobicContact CG2-CE2 4.04Å; V85-F160 HydrophobicContact CG2-CZ 3.81Å; F87-F160 HydrophobicContact CB-CB 4.08Å; F87-F160 HydrophobicContact CB-CD1 3.6Å; F87-F160 HydrophobicContact CB-CD2 3.95Å; F87-F160 HydrophobicContact CB-CE1 3.98Å; F87-F160 HydrophobicContact CB-CE2 4.28Å; F87-F160 HydrophobicContact CB-CG 3.6Å; F87-F160 HydrophobicContact CB-CZ 4.31Å; F87-F160 HydrophobicContact CD1-CB 4.25Å; F87-F160 HydrophobicContact CD2-CB 3.44Å; F87-F160 VanDerWaalsContact CD2-CB 3.44Å; F87-F160 HydrophobicContact CD2-CD2 4.27Å; F87-F160 AromaticContact CD2-CG 3.88Å; F87-F160 HydrophobicContact CD2-CG 3.88Å; F87-F160 HydrophobicContact CE2-CB 3.84Å; F87-F160 HydrophobicContact CG-CB 3.66Å; F87-F160 HydrophobicContact CG-CD1 4.02Å; F87-F160 HydrophobicContact CG-CD2 4.39Å; F87-F160 AromaticContact CG-CG 3.78Å; F87-F160 HydrophobicContact CG-CG 3.78Å; F87-F160 HydrophobicContact CZ-CB 4.39Å; F100-F160 HydrophobicContact CZ-CD1 4.32Å; I102-F160 HydrophobicContact CD1-CD1 4.06Å; I102-F160 HydrophobicContact CD1-CE1 3.98Å; I102-F160 HydrophobicContact CG1-CD1 3.78Å; I102-F160 HydrophobicContact CG1-CE1 4.1Å; I102-F160 HydrophobicContact CG2-CD1 4.16Å; I102-F160 HydrophobicContact CG2-CE1 3.98Å; I148-F160 HydrophobicContact CG2-CD1 4.27Å; I148-F160 HydrophobicContact CG2-CE1 4.09Å; L150-F160 HydrophobicContact CB-CZ 4.44Å; L150-F160 HydrophobicContact CD2-CE1 4.26Å; L150-F160 HydrophobicContact CD2-CZ 4.14Å; V158-F160 HydrophobicContact CB-CE2 4.28Å; V158-F160 HydrophobicContact CG1-CD2 4.26Å; V158-F160 HydrophobicContact CG1-CE1 4.28Å; V158-F160 HydrophobicContact CG1-CE2 3.67Å; V158-F160 HydrophobicContact CG1-CZ 3.67Å
161	Q	92.3	Very high	93	Very high	75 Å²	75	40.3 Å²	40.3	35%	0.35	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120	175.1	-173.6	179.1	-53.4	0	0	109.5	V70 V71 F100 A101	V70-Q161 HydrophobicContact CG1-CG 3.87Å; V71-Q161 CarbonylContact O-C 3.5Å; V71-Q161 WeakPolarHBondContact O-CA 3.07Å; F100-Q161 WeakPolarHBondContact CA-O 3.03Å; F100-Q161 VanDerWaalsContact CD2-O 3.23Å; F100-Q161 WeakPolarHBondContact CD2-O 3.39Å; A101-Q161 PolarHBondContact N-O 3Å; A101-Q161 PolarHBondContact O-N 3.34Å
162	L	94.6	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	176.7	178.1	68.2	0	0	0	109.7	V70 V71 F87 V89 I91 I97 F100 F146 Y164	V70-L162 WeakPolarHBondContact CA-O 3.41Å; V71-L162 PolarHBondContact N-O 3Å; V71-L162 PolarHBondContact O-N 2.83Å; F87-L162 HydrophobicContact CE1-CB 3.93Å; F87-L162 HydrophobicContact CE1-CD2 4.25Å; F87-L162 HydrophobicContact CZ-CB 3.91Å; V89-L162 HydrophobicContact CG2-CD2 3.84Å; I91-L162 HydrophobicContact CG2-CD2 4.07Å; I97-L162 HydrophobicContact CD1-CD1 4.41Å; I97-L162 HydrophobicContact CG1-CD1 4.38Å; I97-L162 HydrophobicContact CG2-CD1 3.83Å; F100-L162 HydrophobicContact CB-CD1 4.17Å; F100-L162 HydrophobicContact CD2-CB 3.93Å; F100-L162 HydrophobicContact CD2-CD1 3.79Å; F100-L162 HydrophobicContact CD2-CG 4.47Å; F100-L162 HydrophobicContact CE2-CB 4.37Å; F100-L162 HydrophobicContact CG-CD1 4.31Å; F146-L162 HydrophobicContact CB-CD2 4.3Å; F146-L162 HydrophobicContact CD1-CD2 4.46Å; F146-L162 HydrophobicContact CD2-CD1 4.07Å; F146-L162 HydrophobicContact CD2-CD2 3.99Å; F146-L162 HydrophobicContact CE2-CD1 3.81Å; F146-L162 HydrophobicContact CE2-CD2 4.47Å; F146-L162 HydrophobicContact CG-CD2 4Å; F146-L162 HydrophobicContact CZ-CD1 4.29Å; L162-Y164 HydrophobicContact CD2-CD1 4.23Å; L162-Y164 HydrophobicContact CG-CD1 4.21Å
163	T	92.3	Very high	93.6	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.1	175.7	-51	0	0	0	0	110.1	H68 Y69 V70 S98 D99	H68-T163 WeakPolarHBondContact CE1-CG2 3.38Å; Y69-T163 VanDerWaalsContact O-CA 3.26Å; Y69-T163 WeakPolarHBondContact O-CA 3.35Å; Y69-T163 WeakPolarHBondContact O-CG2 3.34Å; V70-T163 HydrophobicContact CG2-CG2 4.22Å; S98-T163 PolarHBondContact N-O 3.33Å; S98-T163 WeakPolarHBondContact OG-CG2 2.99Å; D99-T163 PolarHBondContact N-O 2.97Å; D99-T163 PolarHBondContact O-N 2.82Å
164	Y	98.1	Very high	94.1	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155	174.4	59	-88.5	0	0	0	110.9	Y69 V71 I91 A95 F96 L162	Y69-Y164 WeakPolarHBondContact CB-O 3.29Å; Y69-Y164 AromaticContact CD1-CE2 3.77Å; Y69-Y164 HydrophobicContact CD1-CE2 3.77Å; Y69-Y164 AromaticContact CD1-CZ 3.96Å; Y69-Y164 AromaticContact CD2-CD2 3.47Å; Y69-Y164 HydrophobicContact CD2-CD2 3.47Å; Y69-Y164 VanDerWaalsContact CD2-CD2 3.47Å; Y69-Y164 AromaticContact CD2-CE2 3.29Å; Y69-Y164 HydrophobicContact CD2-CE2 3.29Å; Y69-Y164 HydrophobicContact CD2-CG 4.46Å; Y69-Y164 WeakPolarHBondContact CD2-O 3.3Å; Y69-Y164 HydrophobicContact CE1-CE2 4.3Å; Y69-Y164 HydrophobicContact CE2-CD2 4.16Å; Y69-Y164 AromaticContact CE2-CE2 3.86Å; Y69-Y164 HydrophobicContact CE2-CE2 3.86Å; Y69-Y164 AromaticContact CG-CD2 3.76Å; Y69-Y164 HydrophobicContact CG-CD2 3.76Å; Y69-Y164 HydrophobicContact CG-CE1 4.44Å; Y69-Y164 AromaticContact CG-CE2 3.21Å; Y69-Y164 HydrophobicContact CG-CE2 3.21Å; Y69-Y164 AromaticContact CG-CZ 3.61Å; Y69-Y164 PolarHBondContact N-O 3.47Å; Y69-Y164 PolarHBondContact O-N 2.74Å; V71-Y164 HydrophobicContact CG2-CE1 3.8Å; I91-Y164 HydrophobicContact CB-CD1 4.43Å; I91-Y164 HydrophobicContact CB-CD2 4.45Å; I91-Y164 HydrophobicContact CB-CE1 4.31Å; I91-Y164 HydrophobicContact CB-CE2 4.32Å; I91-Y164 HydrophobicContact CB-CG 4.5Å; I91-Y164 HydrophobicContact CG2-CD1 3.7Å; I91-Y164 HydrophobicContact CG2-CD2 4.5Å; I91-Y164 HydrophobicContact CG2-CE1 3.42Å; I91-Y164 VanDerWaalsContact CG2-CE1 3.42Å; I91-Y164 HydrophobicContact CG2-CE2 4.26Å; I91-Y164 HydrophobicContact CG2-CG 4.24Å; A95-Y164 HydrophobicContact CB-CD2 3.75Å; A95-Y164 HydrophobicContact CB-CG 4.46Å; F96-Y164 CarbonylContact O-C 3.57Å; F96-Y164 VanDerWaalsContact O-CA 3.29Å; F96-Y164 WeakPolarHBondContact O-CA 3.34Å; L162-Y164 HydrophobicContact CD2-CD1 4.23Å; L162-Y164 HydrophobicContact CG-CD1 4.21Å
165	E	97.6	Very high	94.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146	-170.1	-59.6	173.8	132.2	0	0	111.3	F66 A67 H68 A95 F96 R564 F602	F66-E165 HydrophobicContact CE1-CB 4.38Å; F66-E165 HydrophobicContact CE1-CG 4.35Å; F66-E165 HydrophobicContact CE2-CB 4.32Å; F66-E165 HydrophobicContact CZ-CB 3.74Å; F66-E165 HydrophobicContact CZ-CG 4.04Å; A67-E165 VanDerWaalsContact O-CA 3.32Å; A67-E165 WeakPolarHBondContact O-CA 2.99Å; H68-E165 HydrophobicContact CB-CG 4.43Å; H68-E165 IonicContact CE1-OE1 3.6Å; H68-E165 IonicContact CG-OE1 2.7Å; H68-E165 IonicContact ND1-OE1 2.78Å; H68-E165 PolarHBondContact ND1-OE1 2.86Å; A95-E165 VanDerWaalsContact CA-O 3.32Å; A95-E165 WeakPolarHBondContact CA-O 2.93Å; F96-E165 PolarHBondContact N-O 2.04Å; F96-E165 PolarHBondContact O-N 2.79Å; E165-R564 IonicContact OE1-CZ 2.81Å; E165-R564 IonicContact OE1-NE 2.7Å; E165-R564 PolarHBondContact OE1-NE 3.3Å; E165-R564 IonicContact OE2-CZ 3.77Å; E165-R564 IonicContact OE2-NE 3.4Å; E165-R564 PolarHBondContact OE2-NE 3.03Å; E165-R564 IonicContact OE2-NH2 3.77Å; E165-R564 PolarHBondContact OE2-NH2 3.26Å; E165-F602 HydrophobicContact CB-CE1 4.22Å; E165-F602 WeakPolarHBondContact OE2-CE1 3.24Å
166	E	98.3	Very high	95	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.6	173.8	77.9	-170.4	128.5	0	0	111.8	A67 Y69 T94 A95 L168 Y568	A67-E166 HydrophobicContact CB-CG 4.3Å; A67-E166 PolarHBondContact N-O 2.95Å; A67-E166 PolarHBondContact O-N 3.09Å; Y69-E166 HydrophobicContact CE2-CG 4.06Å; Y69-E166 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E166 PolarHBondContact OH-OE1 3.3Å; T94-E166 WeakPolarHBondContact CB-OE2 3.35Å; T94-E166 PolarHBondContact OG1-OE2 3.35Å; A95-E166 HydrophobicContact CB-CB 4.08Å; E166-L168 HydrophobicContact CG-CD2 4.11Å; E166-Y568 HydrophobicContact CB-CE2 4.27Å
167	V	98.7	Very high	95.5	Very high	14 Å²	14	40.5 Å²	40.5	9%	0.085	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.7	166.2	178.9	0	0	0	0	108.6	F66 K169 L565 Y568 L569	F66-V167 HydrophobicContact CD2-CG2 3.91Å; V167-K169 PolarHBondContact O-N 3.21Å; V167-L565 HydrophobicContact CG1-CD1 4.35Å; V167-L565 HydrophobicContact CG1-CG 4.37Å; V167-L565 HydrophobicContact CG2-CB 4.18Å; V167-L565 HydrophobicContact CG2-CD1 4.34Å; V167-L565 HydrophobicContact CG2-CG 3.72Å; V167-Y568 HydrophobicContact CB-CD1 3.68Å; V167-Y568 HydrophobicContact CB-CE1 3.7Å; V167-Y568 HydrophobicContact CG2-CD1 3.32Å; V167-Y568 HydrophobicContact CG2-CE1 3.9Å; V167-Y568 HydrophobicContact CG2-CG 3.92Å; V167-L569 HydrophobicContact CB-CD2 4.3Å; V167-L569 HydrophobicContact CG1-CD2 4.32Å; V167-L569 HydrophobicContact CG2-CD2 4.44Å; V167-L569 HydrophobicContact CG2-CG 4.36Å
168	L	98.4	Very high	95.8	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64.9	128.9	-178.5	-61	177.8	0	0	0	110.4	V62 R65 A67 E166 Y175 I177 Y260	V62-L168 HydrophobicContact CG1-CD1 3.98Å; V62-L168 HydrophobicContact CG2-CD1 4.43Å; R65-L168 HydrophobicContact CB-CB 4.43Å; R65-L168 WeakPolarHBondContact O-CB 3.34Å; R65-L168 WeakPolarHBondContact O-CG 3.43Å; R65-L168 PolarHBondContact O-N 3.41Å; A67-L168 HydrophobicContact CB-CD1 4.2Å; A67-L168 HydrophobicContact CB-CD2 3.97Å; A67-L168 HydrophobicContact CB-CG 3.93Å; E166-L168 HydrophobicContact CG-CD2 4.11Å; L168-Y175 HydrophobicContact CB-CD1 3.9Å; L168-Y175 HydrophobicContact CB-CG 4.45Å; L168-I177 HydrophobicContact CD1-CD1 4.03Å; L168-I177 HydrophobicContact CD1-CG1 3.8Å; L168-I177 HydrophobicContact CD2-CG1 4.03Å; L168-Y260 HydrophobicContact CD1-CE1 3.78Å
169	K	97	Very high	96.1	Very high	142 Å²	142	37.1 Å²	37.1	62%	0.617	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-99	122.5	179.8	-170.7	167.3	-174.4	161.9	0	110.9	V167 K171	V167-K169 PolarHBondContact O-N 3.21Å; K169-K171 PolarHBondContact O-N 2.9Å
170	R	97.6	Very high	96.4	Very high	20 Å²	20	38.3 Å²	38.3	8%	0.075	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.9	128.7	176.1	-160.6	-172.8	-177.8	-137.7	3.4	111.1	Q174 Y175 D261 R264 S507 E508	R170-Q174 WeakPolarHBondContact CA-O 3.44Å; R170-Y175 HydrophobicContact CB-CD1 4Å; R170-Y175 HydrophobicContact CB-CE1 3.51Å; R170-Y175 HydrophobicContact CG-CD1 4.49Å; R170-Y175 HydrophobicContact CG-CE1 4.12Å; R170-Y175 HydrophobicContact CG-CE2 4.39Å; R170-D261 IonicContact CZ-OD2 3.89Å; R170-D261 IonicContact NE-OD1 2.91Å; R170-D261 PolarHBondContact NE-OD1 3.07Å; R170-D261 IonicContact NE-OD2 3.09Å; R170-D261 PolarHBondContact NE-OD2 3.25Å; R170-D261 VanDerWaalsContact NE-OD2 3.11Å; R170-D261 IonicContact NH2-OD1 2.96Å; R170-D261 IonicContact NH2-OD2 2.65Å; R170-D261 PolarHBondContact NH2-OD2 3.48Å; R170-R264 VanDerWaalsContact NE-NH2 3.16Å; R170-S507 PolarHBondContact NH1-O 3.06Å; R170-E508 HydrophobicContact CB-CB 3.86Å
171	K	93.9	Very high	96.5	Very high	93 Å²	93	38.4 Å²	38.4	40%	0.404	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-140.2	140.7	172.1	-63.8	178.5	-176.4	174.4	0	108.7	K169 K173 Q174 G506	K169-K171 PolarHBondContact O-N 2.9Å; K171-K173 PolarHBondContact O-N 3.37Å; K171-Q174 PolarHBondContact N-O 2.02Å; K171-Q174 PolarHBondContact O-N 3.43Å; K171-Q174 VanDerWaalsContact O-N 3.11Å; K171-G506 CarbonylContact C-O 3.47Å
172	L	93.6	Very high	96.6	Very high	93 Å²	93	39.7 Å²	39.7	49%	0.487	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	44	175.3	-54.4	176.1	0	0	0	112.8	Q174 Q474 G506	L172-Q174 PolarHBondContact O-N 2.82Å; L172-Q474 HydrophobicContact CD2-CG 4.22Å; L172-Q474 HydrophobicContact CG-CG 4.49Å; L172-G506 PolarHBondContact N-O 2.88Å; L172-G506 VanDerWaalsContact N-O 3.12Å
173	K	95.5	Very high	96.5	Very high	94 Å²	94	40.5 Å²	40.5	41%	0.409	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	32	178.7	-53.9	-179.7	177.1	-172.6	0	114.6	K171 K204 E505 G506	K171-K173 PolarHBondContact O-N 3.37Å; K173-K204 VanDerWaalsContact O-CE 3.22Å; K173-K204 WeakPolarHBondContact O-CE 3.2Å; K173-K204 PolarHBondContact O-NZ 2.8Å; K173-E505 WeakPolarHBondContact CE-OE1 3.39Å; K173-E505 IonicContact NZ-OE1 2.86Å; K173-E505 PolarHBondContact NZ-OE1 2.99Å; K173-G506 VanDerWaalsContact CG-CA 3.49Å; K173-G506 PolarHBondContact N-O 3.1Å
174	Q	97.1	Very high	96.4	Very high	64 Å²	64	46.2 Å²	46.2	30%	0.299	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-158.3	158.8	173.1	59.7	-172.4	41.4	0	0	112.4	R170 K171 L172 Y260	R170-Q174 WeakPolarHBondContact CA-O 3.44Å; K171-Q174 PolarHBondContact N-O 2.02Å; K171-Q174 PolarHBondContact O-N 3.43Å; K171-Q174 VanDerWaalsContact O-N 3.11Å; L172-Q174 PolarHBondContact O-N 2.82Å; Q174-Y260 CarbonylContact C-O 3.56Å; Q174-Y260 WeakPolarHBondContact CA-O 3.14Å
175	Y	98.4	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	145.5	159.9	-53.2	-84	0	0	0	108.4	R65 L168 R170 T259 Y260 D261 R264 E508	R65-Y175 HydrophobicContact CB-CE1 4.38Å; R65-Y175 HydrophobicContact CG-CD1 4.02Å; R65-Y175 HydrophobicContact CG-CE1 3.37Å; R65-Y175 HydrophobicContact CG-CE2 4.1Å; R65-Y175 VanDerWaalsContact CG-CZ 3.43Å; R65-Y175 PolarHBondContact NE-OH 2.91Å; L168-Y175 HydrophobicContact CB-CD1 3.9Å; L168-Y175 HydrophobicContact CB-CG 4.45Å; R170-Y175 HydrophobicContact CB-CD1 4Å; R170-Y175 HydrophobicContact CB-CE1 3.51Å; R170-Y175 HydrophobicContact CG-CD1 4.49Å; R170-Y175 HydrophobicContact CG-CE1 4.12Å; R170-Y175 HydrophobicContact CG-CE2 4.39Å; Y175-T259 VanDerWaalsContact O-CA 3.31Å; Y175-T259 WeakPolarHBondContact O-CA 3.47Å; Y175-Y260 HydrophobicContact CD2-CD2 4.2Å; Y175-Y260 HydrophobicContact CD2-CE1 4.23Å; Y175-Y260 AromaticContact CD2-CE2 3.78Å; Y175-Y260 HydrophobicContact CD2-CE2 3.78Å; Y175-Y260 AromaticContact CD2-CZ 3.81Å; Y175-Y260 HydrophobicContact CE2-CE2 4.35Å; Y175-Y260 HydrophobicContact CG-CE1 4.19Å; Y175-Y260 HydrophobicContact CG-CE2 4.49Å; Y175-Y260 PolarHBondContact N-O 3.4Å; Y175-Y260 PolarHBondContact O-N 2.62Å; Y175-D261 WeakPolarHBondContact CE2-OD1 3.37Å; Y175-R264 PolarHBondContact OH-NH2 2.77Å; Y175-E508 PolarHBondContact OH-OE1 3.38Å; Y175-E508 PolarHBondContact OH-OE2 3.24Å
176	E	98.1	Very high	95.9	Very high	88 Å²	88	48.1 Å²	48.1	41%	0.411	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.2	178.9	-170.5	-177.2	-144.9	0	0	109.3	V178 K257 T259	E176-V178 HydrophobicContact CG-CG2 3.67Å; E176-K257 WeakPolarHBondContact OE1-CD 3.04Å; E176-K257 IonicContact OE1-NZ 3.34Å; E176-K257 PolarHBondContact OE1-NZ 3.02Å; E176-T259 HydrophobicContact CB-CG2 4.34Å; E176-T259 HydrophobicContact CG-CG2 4.04Å
177	I	98.5	Very high	95.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.4	171	-61.2	165.5	0	0	0	106.5	V62 Y69 L168 I179 V194 K257 V258 Y260	V62-I177 HydrophobicContact CG2-CD1 3.75Å; Y69-I177 HydrophobicContact CE1-CG2 3.8Å; L168-I177 HydrophobicContact CD1-CD1 4.03Å; L168-I177 HydrophobicContact CD1-CG1 3.8Å; L168-I177 HydrophobicContact CD2-CG1 4.03Å; I177-I179 HydrophobicContact CG2-CD1 4.39Å; I177-I179 HydrophobicContact CG2-CG1 4.31Å; I177-V194 HydrophobicContact CD1-CG1 4Å; I177-K257 WeakPolarHBondContact O-CA 3.39Å; I177-V258 HydrophobicContact CB-CB 4.25Å; I177-V258 PolarHBondContact N-O 3.05Å; I177-V258 PolarHBondContact O-N 2.95Å; I177-Y260 HydrophobicContact CD1-CE1 4.32Å
178	V	97.6	Very high	95.6	Very high	24 Å²	24	50.2 Å²	50.2	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116	-178.5	-174.6	0	0	0	0	109.6	M143 E176 H255 K257	M143-V178 HydrophobicContact CE-CB 3.73Å; M143-V178 HydrophobicContact CE-CG1 3.62Å; E176-V178 HydrophobicContact CG-CG2 3.67Å; V178-H255 HydrophobicContact CG1-CB 4.15Å; V178-K257 HydrophobicContact CG1-CG 4.37Å; V178-K257 HydrophobicContact CG2-CG 4.3Å
179	I	97.3	Very high	95.4	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.3	176.7	-61.8	164.4	0	0	0	108.1	V58 I177 V181 I192 V194 F256	V58-I179 HydrophobicContact CB-CG2 4.49Å; V58-I179 HydrophobicContact CG1-CD1 3.85Å; V58-I179 HydrophobicContact CG1-CG1 4.34Å; V58-I179 HydrophobicContact CG1-CG2 4.14Å; V58-I179 HydrophobicContact CG2-CG2 4.13Å; I177-I179 HydrophobicContact CG2-CD1 4.39Å; I177-I179 HydrophobicContact CG2-CG1 4.31Å; I179-V181 HydrophobicContact CG2-CG2 4.44Å; I179-I192 HydrophobicContact CD1-CG2 3.68Å; I179-I192 HydrophobicContact CG2-CD1 4.2Å; I179-V194 HydrophobicContact CD1-CG2 4.45Å; I179-F256 HydrophobicContact CB-CB 4.44Å; I179-F256 PolarHBondContact N-O 2.95Å; I179-F256 PolarHBondContact O-N 2.89Å
180	K	95.3	Very high	95.5	Very high	52 Å²	52	49 Å²	49	23%	0.226	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	125.8	172.6	-172.9	76.9	172.1	-164.4	0	109.7	E90 H255	E90-K180 HydrophobicContact CB-CB 3.74Å; E90-K180 HydrophobicContact CB-CG 4.02Å; E90-K180 HydrophobicContact CG-CB 4.4Å; E90-K180 HydrophobicContact CG-CG 4.12Å; E90-K180 WeakPolarHBondContact OE1-CE 3.28Å; E90-K180 IonicContact OE1-NZ 2.86Å; E90-K180 WeakPolarHBondContact OE2-CD 3.49Å; E90-K180 IonicContact OE2-NZ 2.68Å; K180-H255 WeakPolarHBondContact CD-CE1 3.17Å; K180-H255 PolarHBondContact NZ-CE1 3.42Å; K180-H255 PolarHBondContact NZ-NE2 2.87Å; K180-H255 VanDerWaalsContact NZ-NE2 3.16Å
181	V	95.7	Very high	95.5	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.5	178	-178.9	0	0	0	0	108.7	I179 F190 I192 F211 L252 N253 G254 F256	I179-V181 HydrophobicContact CG2-CG2 4.44Å; V181-F190 HydrophobicContact CB-CZ 4.48Å; V181-F190 HydrophobicContact CG1-CE1 4.41Å; V181-F190 HydrophobicContact CG1-CE2 3.95Å; V181-F190 HydrophobicContact CG1-CZ 3.54Å; V181-F190 HydrophobicContact CG2-CZ 4.16Å; V181-I192 HydrophobicContact CG2-CD1 3.72Å; V181-F211 HydrophobicContact CB-CE1 4.01Å; V181-F211 HydrophobicContact CB-CZ 4.1Å; V181-F211 HydrophobicContact CG1-CZ 4.19Å; V181-F211 HydrophobicContact CG2-CE1 4.2Å; V181-F211 HydrophobicContact CG2-CZ 4.2Å; V181-L252 HydrophobicContact CG1-CB 3.85Å; V181-L252 HydrophobicContact CG1-CD1 4.45Å; V181-L252 HydrophobicContact CG1-CD2 4.42Å; V181-L252 HydrophobicContact CG1-CG 4.48Å; V181-N253 CarbonylContact O-C 3.53Å; V181-N253 VanDerWaalsContact O-CA 3.26Å; V181-N253 WeakPolarHBondContact O-CA 3.46Å; V181-G254 PolarHBondContact N-O 3.11Å; V181-G254 PolarHBondContact O-N 3.34Å; V181-F256 HydrophobicContact CG2-CB 3.89Å
182	K	95.1	Very high	95.7	Very high	102 Å²	102	45 Å²	45	44%	0.443	21%	0.21	S	C	.	.			trans	-156.8	66.3	178.8	-164.6	177.3	-180	-178.2	0	112.7	K184	K182-K184 PolarHBondContact O-N 3.26Å
183	P	91.6	Very high	95.8	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	19%	0.191	C	C	.	.			trans	-66.2	-13.4	-178.8	25.8	-34.5	0	0	0	115.3	I53 L56 Q185 V187 L252	I53-P183 HydrophobicContact CD1-CB 4.19Å; I53-P183 WeakPolarHBondContact CD1-O 3.48Å; L56-P183 HydrophobicContact CD2-CB 3.85Å; P183-Q185 WeakPolarHBondContact CG-O 3.23Å; P183-Q185 PolarHBondContact O-N 2.94Å; P183-V187 HydrophobicContact CB-CG2 3.61Å; P183-V187 HydrophobicContact CG-CG2 4.03Å; P183-L252 WeakPolarHBondContact CD-O 3.41Å; P183-L252 HydrophobicContact CG-CB 4.06Å; P183-L252 HydrophobicContact CG-CD1 4.27Å
184	K	90.5	Very high	95.9	Very high	131 Å²	131	36.9 Å²	36.9	57%	0.57	17%	0.171	S	C	*	.	S	Bend	trans	61.9	-13.5	-175.5	-54.6	-179.7	-173	170	0	116.1	D88 K182	D88-K184 WeakPolarHBondContact OD2-CE 3.34Å; D88-K184 IonicContact OD2-NZ 3.96Å; D88-K184 PolarHBondContact OD2-NZ 2.9Å; K182-K184 PolarHBondContact O-N 3.26Å
185	Q	91.6	Very high	95.8	Very high	45 Å²	45	35.3 Å²	35.3	21%	0.21	17%	0.165	C	C	.	.	S	Bend	trans	-133.3	165.6	171.7	-60.9	-178.1	18.3	0	0	110.1	V48 V51 I53 P183	V48-Q185 HydrophobicContact CG2-CG 4.04Å; V51-Q185 PolarHBondContact O-OE1 2.83Å; I53-Q185 HydrophobicContact CD1-CB 4.14Å; I53-Q185 HydrophobicContact CG1-CB 4.44Å; P183-Q185 WeakPolarHBondContact CG-O 3.23Å; P183-Q185 PolarHBondContact O-N 2.94Å
186	L	94.6	Very high	95.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	17%	0.165	C	C	.	.			trans	-66.2	144.2	167.5	-66.7	169.5	0	0	0	109.9	V44 T46 V238 Q241 Q242	V44-L186 HydrophobicContact CG1-CD1 4.22Å; T46-L186 HydrophobicContact CG2-CB 3.7Å; T46-L186 HydrophobicContact CG2-CD1 4.19Å; L186-V238 HydrophobicContact CB-CG1 4.43Å; L186-V238 HydrophobicContact CD1-CG1 4.26Å; L186-Q241 HydrophobicContact CD2-CB 3.67Å; L186-Q242 HydrophobicContact CD1-CG 3.98Å; L186-Q242 HydrophobicContact CD2-CG 3.96Å
187	V	96.5	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.4	-175.6	-178.3	0	0	0	0	109.6	I53 L56 P183 H189 F190 Q241	I53-V187 HydrophobicContact CB-CG1 4.45Å; I53-V187 HydrophobicContact CB-CG2 4.1Å; I53-V187 HydrophobicContact CD1-CG2 4.25Å; I53-V187 HydrophobicContact CG2-CB 4.44Å; I53-V187 HydrophobicContact CG2-CG1 3.89Å; I53-V187 HydrophobicContact CG2-CG2 3.96Å; L56-V187 HydrophobicContact CB-CG1 3.94Å; L56-V187 HydrophobicContact CB-CG2 4.35Å; P183-V187 HydrophobicContact CB-CG2 3.61Å; P183-V187 HydrophobicContact CG-CG2 4.03Å; V187-H189 PolarHBondContact O-N 3.19Å; V187-F190 HydrophobicContact CB-CB 4.17Å; V187-F190 HydrophobicContact CB-CD2 4.42Å; V187-F190 HydrophobicContact CG1-CB 4.14Å; V187-F190 HydrophobicContact CG2-CD2 4.34Å; V187-Q241 PolarHBondContact O-NE2 3.37Å; V187-Q241 PolarHBondContact O-OE1 2.91Å
188	H	93.3	Very high	95.8	Very high	72 Å²	72	31.1 Å²	31.1	33%	0.333	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	-44.8	-179.4	-66.5	-82.1	0	0	0	112.8	T46 F52 I53 R54	T46-H188 PolarHBondContact OG1-CE1 3.03Å; T46-H188 VanDerWaalsContact OG1-CE1 3.3Å; T46-H188 PolarHBondContact OG1-NE2 3.46Å; F52-H188 AromaticContact CD2-CD2 3.42Å; F52-H188 VanDerWaalsContact CD2-CD2 3.42Å; F52-H188 WeakPolarHBondContact CD2-CD2 3.4Å; F52-H188 AromaticContact CD2-NE2 3.34Å; F52-H188 VanDerWaalsContact CD2-NE2 3.34Å; F52-H188 WeakPolarHBondContact CD2-NE2 3.27Å; F52-H188 AromaticContact CE2-CD2 3.65Å; F52-H188 AromaticContact CE2-NE2 3.61Å; I53-H188 PolarHBondContact O-N 3.47Å; R54-H188 WeakPolarHBondContact O-CB 3.48Å
189	H	95.4	Very high	95.7	Very high	115 Å²	115	30.6 Å²	30.6	53%	0.532	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	84.8	179.2	-52.7	88.8	0	0	0	110.2	R54 S55 L56 V187	R54-H189 PolarHBondContact O-N 3.38Å; R54-H189 PolarHBondContact O-ND1 3.37Å; S55-H189 VanDerWaalsContact CA-O 3.24Å; S55-H189 WeakPolarHBondContact CA-O 3.5Å; S55-H189 WeakPolarHBondContact CB-O 3.38Å; L56-H189 PolarHBondContact N-O 3.26Å; V187-H189 PolarHBondContact O-N 3.19Å
190	F	97.8	Very high	95.7	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.9	172.4	-170.2	-85.7	0	0	0	110.5	L56 V181 V187 I192 F234 P236 L252	L56-F190 HydrophobicContact CB-CD2 4.14Å; L56-F190 HydrophobicContact CB-CE2 4.48Å; L56-F190 HydrophobicContact CD2-CD2 4.15Å; L56-F190 HydrophobicContact CD2-CE2 3.78Å; L56-F190 HydrophobicContact CG-CD2 4.28Å; L56-F190 HydrophobicContact CG-CE2 4.11Å; L56-F190 WeakPolarHBondContact O-CA 3.16Å; V181-F190 HydrophobicContact CB-CZ 4.48Å; V181-F190 HydrophobicContact CG1-CE1 4.41Å; V181-F190 HydrophobicContact CG1-CE2 3.95Å; V181-F190 HydrophobicContact CG1-CZ 3.54Å; V181-F190 HydrophobicContact CG2-CZ 4.16Å; V187-F190 HydrophobicContact CB-CB 4.17Å; V187-F190 HydrophobicContact CB-CD2 4.42Å; V187-F190 HydrophobicContact CG1-CB 4.14Å; V187-F190 HydrophobicContact CG2-CD2 4.34Å; F190-I192 HydrophobicContact CE1-CD1 3.89Å; F190-I192 HydrophobicContact CE1-CG1 3.73Å; F190-I192 HydrophobicContact CZ-CD1 4.06Å; F190-I192 HydrophobicContact CZ-CG1 4.07Å; F190-F234 HydrophobicContact CD1-CD1 4.2Å; F190-F234 HydrophobicContact CD1-CE1 4.01Å; F190-F234 AromaticContact CE1-CD1 3.77Å; F190-F234 HydrophobicContact CE1-CD1 3.77Å; F190-F234 AromaticContact CE1-CE1 3.63Å; F190-F234 HydrophobicContact CE1-CE1 3.63Å; F190-P236 HydrophobicContact CB-CG 4.17Å; F190-P236 HydrophobicContact CD1-CG 3.79Å; F190-P236 HydrophobicContact CG-CG 4.28Å; F190-L252 HydrophobicContact CD1-CD1 4.27Å; F190-L252 HydrophobicContact CD2-CD1 3.82Å; F190-L252 HydrophobicContact CE1-CD1 4.48Å; F190-L252 HydrophobicContact CE2-CD1 4.06Å; F190-L252 HydrophobicContact CG-CD1 3.93Å; F190-L252 HydrophobicContact CZ-CD1 4.4Å
191	E	97.3	Very high	95.8	Very high	28 Å²	28	30.1 Å²	30.1	13%	0.131	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134.1	179.5	-175.4	170.8	142.9	0	0	112.2	L56 K57 V58 D193 L233 F234 R235	L56-E191 PolarHBondContact O-N 2.66Å; K57-E191 CarbonylContact C-O 3.59Å; K57-E191 VanDerWaalsContact CA-O 3.28Å; K57-E191 WeakPolarHBondContact CA-O 3.33Å; K57-E191 HydrophobicContact CB-CB 4.32Å; K57-E191 HydrophobicContact CD-CB 4.33Å; K57-E191 HydrophobicContact CG-CB 4Å; K57-E191 IonicContact NZ-OE2 3.88Å; V58-E191 PolarHBondContact N-O 3.38Å; E191-D193 HydrophobicContact CG-CB 4.47Å; E191-L233 HydrophobicContact CG-CD1 4.2Å; E191-F234 CarbonylContact C-O 3.17Å; E191-F234 WeakPolarHBondContact CA-O 3.32Å; E191-R235 HydrophobicContact CB-CG 4.22Å; E191-R235 HydrophobicContact CG-CG 3.87Å; E191-R235 IonicContact OE1-CZ 3.37Å; E191-R235 IonicContact OE1-NE 3.64Å; E191-R235 IonicContact OE1-NH2 2.66Å; E191-R235 PolarHBondContact OE1-NH2 3.31Å; E191-R235 IonicContact OE2-CZ 2.74Å; E191-R235 VanDerWaalsContact OE2-CZ 3.24Å; E191-R235 IonicContact OE2-NE 3.77Å; E191-R235 PolarHBondContact OE2-NE 3.05Å; E191-R235 IonicContact OE2-NH2 3.93Å; E191-R235 PolarHBondContact OE2-NH2 3.27Å
192	I	98.3	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.5	160	-60.3	174.7	0	0	0	107.1	V58 I179 V181 F190 V194 L233 F234 F256	V58-I192 HydrophobicContact CB-CG1 4.2Å; V58-I192 HydrophobicContact CG2-CG1 4.43Å; V58-I192 WeakPolarHBondContact O-CA 3.41Å; I179-I192 HydrophobicContact CD1-CG2 3.68Å; I179-I192 HydrophobicContact CG2-CD1 4.2Å; V181-I192 HydrophobicContact CG2-CD1 3.72Å; F190-I192 HydrophobicContact CE1-CD1 3.89Å; F190-I192 HydrophobicContact CE1-CG1 3.73Å; F190-I192 HydrophobicContact CZ-CD1 4.06Å; F190-I192 HydrophobicContact CZ-CG1 4.07Å; I192-V194 HydrophobicContact CG2-CG2 4.07Å; I192-L233 WeakPolarHBondContact O-CA 3.31Å; I192-F234 HydrophobicContact CB-CB 4.31Å; I192-F234 HydrophobicContact CD1-CD1 4.07Å; I192-F234 HydrophobicContact CG1-CD1 4.34Å; I192-F234 PolarHBondContact N-O 3.08Å; I192-F234 PolarHBondContact O-N 2.89Å; I192-F256 HydrophobicContact CD1-CB 3.86Å; I192-F256 HydrophobicContact CD1-CD1 4.03Å; I192-F256 HydrophobicContact CD1-CD2 4.17Å; I192-F256 HydrophobicContact CD1-CG 3.76Å; I192-F256 HydrophobicContact CG2-CD1 4.11Å; I192-F256 HydrophobicContact CG2-CE1 4.08Å
193	D	96.4	Very high	96.1	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.8	177.9	-176.7	-69.8	0	0	0	108.7	V58 N59 C60 E191 H231 V232 L233	V58-D193 PolarHBondContact O-N 2.58Å; N59-D193 CarbonylContact C-O 3.55Å; N59-D193 WeakPolarHBondContact CA-O 3.41Å; N59-D193 PolarHBondContact ND2-OD1 2.86Å; C60-D193 PolarHBondContact N-O 3Å; E191-D193 HydrophobicContact CG-CB 4.47Å; D193-H231 IonicContact OD1-CD2 3.47Å; D193-H231 IonicContact OD1-NE2 3.33Å; D193-H231 IonicContact OD2-CD2 2.69Å; D193-H231 IonicContact OD2-CE1 3.62Å; D193-H231 IonicContact OD2-NE2 3.8Å; D193-H231 PolarHBondContact OD2-NE2 2.94Å; D193-V232 WeakPolarHBondContact CA-O 3.29Å; D193-L233 HydrophobicContact CB-CD1 4.08Å
194	V	98.2	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.1	177.2	-170.7	0	0	0	0	108.5	C60 V62 I177 I179 I192 I196 H231 V232 V258	C60-V194 HydrophobicContact CB-CB 4.43Å; C60-V194 HydrophobicContact CB-CG1 4.12Å; C60-V194 HydrophobicContact CB-CG2 4.14Å; C60-V194 WeakPolarHBondContact O-CA 3.46Å; V62-V194 HydrophobicContact CG2-CG1 4.47Å; I177-V194 HydrophobicContact CD1-CG1 4Å; I179-V194 HydrophobicContact CD1-CG2 4.45Å; I192-V194 HydrophobicContact CG2-CG2 4.07Å; V194-I196 HydrophobicContact CG1-CD1 4.24Å; V194-I196 HydrophobicContact CG1-CG1 3.95Å; V194-H231 WeakPolarHBondContact O-CA 3.44Å; V194-V232 HydrophobicContact CB-CB 4.19Å; V194-V232 PolarHBondContact N-O 3.19Å; V194-V232 PolarHBondContact O-N 3.41Å; V194-V258 HydrophobicContact CG2-CG2 4.11Å
195	D	95	Very high	96.8	Very high	30 Å²	30	26.2 Å²	26.2	16%	0.16	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.8	-178.7	166	26.7	0	0	0	109.8	C60 K61 V62 R554	C60-D195 PolarHBondContact O-N 3.16Å; K61-D195 HydrophobicContact CD-CB 3.75Å; K61-D195 WeakPolarHBondContact CD-OD2 3.37Å; K61-D195 VanDerWaalsContact NZ-CB 3.3Å; K61-D195 IonicContact NZ-OD2 2.74Å; K61-D195 PolarHBondContact NZ-OD2 2.76Å; V62-D195 PolarHBondContact N-O 2.87Å; D195-R554 PolarHBondContact O-NH2 2.8Å; D195-R554 IonicContact OD1-NH1 2.62Å; D195-R554 PolarHBondContact OD1-NH1 3.16Å; D195-R554 IonicContact OD2-CZ 3.54Å; D195-R554 IonicContact OD2-NH1 3.53Å; D195-R554 PolarHBondContact OD2-NH1 2.83Å; D195-R554 IonicContact OD2-NH2 3.81Å
196	I	98.5	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.3	-172.4	-56.3	169.1	0	0	0	109.3	V62 V194 E198 I202 L205 K229 G230 V258 Y260	V62-I196 HydrophobicContact CB-CB 4.35Å; V62-I196 HydrophobicContact CB-CG1 4.09Å; V62-I196 HydrophobicContact CB-CG2 4.28Å; V62-I196 HydrophobicContact CG1-CG2 4.39Å; V62-I196 HydrophobicContact CG2-CG1 4.16Å; V194-I196 HydrophobicContact CG1-CD1 4.24Å; V194-I196 HydrophobicContact CG1-CG1 3.95Å; I196-E198 HydrophobicContact CG2-CG 3.78Å; I196-I202 HydrophobicContact CB-CD1 4.11Å; I196-I202 HydrophobicContact CG2-CD1 3.79Å; I196-I202 HydrophobicContact CG2-CG1 4.46Å; I196-L205 HydrophobicContact CD1-CD1 3.73Å; I196-K229 CarbonylContact O-C 3.52Å; I196-K229 WeakPolarHBondContact O-CA 3.23Å; I196-G230 PolarHBondContact N-O 3.41Å; I196-G230 PolarHBondContact O-N 2.93Å; I196-V258 HydrophobicContact CD1-CG1 4.37Å; I196-Y260 HydrophobicContact CD1-CD1 3.9Å; I196-Y260 HydrophobicContact CD1-CE1 4.3Å; I196-Y260 HydrophobicContact CD1-CG 4.1Å; I196-Y260 HydrophobicContact CG2-CD2 4.22Å; I196-Y260 HydrophobicContact CG2-CE2 3.93Å
197	F	97.8	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	116.1	172.5	-176.4	-92.2	0	0	0	110.7	V62 T63 S64 K228 K229 L550 E553 R554	V62-F197 PolarHBondContact O-N 2.84Å; T63-F197 WeakPolarHBondContact CA-O 3.32Å; T63-F197 HydrophobicContact CG2-CD1 4.21Å; S64-F197 PolarHBondContact N-O 3.29Å; F197-K228 CarbonylContact C-O 3.58Å; F197-K228 VanDerWaalsContact CA-O 3.31Å; F197-K228 WeakPolarHBondContact CA-O 3.31Å; F197-K228 HydrophobicContact CD2-CB 4.27Å; F197-K228 HydrophobicContact CE2-CB 3.98Å; F197-K228 HydrophobicContact CE2-CD 4.23Å; F197-K228 HydrophobicContact CZ-CB 4.47Å; F197-K228 HydrophobicContact CZ-CD 4.08Å; F197-K229 HydrophobicContact CD2-CG 4.07Å; F197-L550 HydrophobicContact CE1-CD2 3.86Å; F197-L550 HydrophobicContact CZ-CD2 3.71Å; F197-E553 HydrophobicContact CE2-CB 3.92Å; F197-E553 HydrophobicContact CZ-CB 3.96Å; F197-R554 HydrophobicContact CB-CG 4.48Å; F197-R554 HydrophobicContact CD1-CB 3.97Å; F197-R554 HydrophobicContact CD1-CG 3.89Å; F197-R554 HydrophobicContact CD2-CB 4.43Å; F197-R554 HydrophobicContact CE1-CB 3.82Å; F197-R554 HydrophobicContact CE1-CG 4.25Å; F197-R554 HydrophobicContact CE2-CB 4.32Å; F197-R554 HydrophobicContact CG-CB 4.26Å; F197-R554 HydrophobicContact CG-CG 4.09Å; F197-R554 HydrophobicContact CZ-CB 4Å
198	E	98.3	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.			trans	-127.6	116.6	-177.1	-66.4	-66	173.3	0	0	111	S64 R65 I196 Q200 G201 I202 K228 Y260 V262	S64-E198 VanDerWaalsContact CA-OE2 3.26Å; S64-E198 WeakPolarHBondContact CA-OE2 3.49Å; R65-E198 WeakPolarHBondContact CD-OE1 3.3Å; R65-E198 VanDerWaalsContact CD-OE2 3.28Å; R65-E198 WeakPolarHBondContact CD-OE2 3.15Å; R65-E198 IonicContact CZ-OE2 2.79Å; R65-E198 PolarHBondContact N-OE1 2.77Å; R65-E198 VanDerWaalsContact N-OE1 3.08Å; R65-E198 IonicContact NE-OE2 3.08Å; R65-E198 IonicContact NH1-OE2 3.55Å; R65-E198 PolarHBondContact NH1-OE2 3.45Å; I196-E198 HydrophobicContact CG2-CG 3.78Å; E198-Q200 VanDerWaalsContact C-N 3.29Å; E198-Q200 PolarHBondContact O-N 2.83Å; E198-G201 PolarHBondContact O-N 2.8Å; E198-I202 HydrophobicContact CB-CG1 4.15Å; E198-I202 HydrophobicContact CG-CG1 4.22Å; E198-K228 PolarHBondContact N-O 2.94Å; E198-K228 WeakPolarHBondContact O-CA 3.48Å; E198-K228 VanDerWaalsContact O-CB 3.25Å; E198-K228 WeakPolarHBondContact O-CB 3.29Å; E198-K228 WeakPolarHBondContact O-CG 3.39Å; E198-Y260 HydrophobicContact CG-CE2 3.8Å; E198-Y260 WeakPolarHBondContact OE1-CE2 3.39Å; E198-Y260 PolarHBondContact OE1-OH 3.41Å; E198-V262 HydrophobicContact CB-CG1 3.72Å; E198-V262 HydrophobicContact CG-CG1 3.63Å
199	P	96.3	Very high	97.3	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.091	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-39.6	-176.9	-29.9	36.2	0	0	0	114.8	G201 K228 L271 L550	P199-G201 PolarHBondContact O-N 2.59Å; P199-K228 WeakPolarHBondContact O-CE 3.44Å; P199-L271 HydrophobicContact CG-CD1 4.17Å; P199-L271 HydrophobicContact CG-CD2 4.44Å; P199-L550 HydrophobicContact CB-CD1 3.84Å; P199-L550 HydrophobicContact CB-CD2 3.81Å; P199-L550 HydrophobicContact CG-CD1 4.12Å; P199-L550 HydrophobicContact CG-CD2 4.12Å
200	Q	96.4	Very high	97.1	Very high	39 Å²	39	27.9 Å²	27.9	18%	0.182	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-12.1	179	-61.6	-57.1	-37.6	0	0	113.9	E198 V262 S263 D269	E198-Q200 VanDerWaalsContact C-N 3.29Å; E198-Q200 PolarHBondContact O-N 2.83Å; Q200-V262 HydrophobicContact CB-CB 4.41Å; Q200-S263 WeakPolarHBondContact CB-O 3.44Å; Q200-S263 WeakPolarHBondContact O-CB 3.43Å; Q200-D269 HydrophobicContact CG-CB 3.89Å; Q200-D269 VanDerWaalsContact CG-OD1 3.29Å; Q200-D269 WeakPolarHBondContact CG-OD1 3.34Å; Q200-D269 VanDerWaalsContact CG-OD2 3.3Å; Q200-D269 WeakPolarHBondContact CG-OD2 3.4Å; Q200-D269 PolarHBondContact NE2-OD1 2.73Å
201	G	97.8	Very high	96.8	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	16%	0.161	C	C	.	.			trans	90.4	152.6	-170	0	0	0	0	0	112.8	E198 P199 G227 V262 S263	E198-G201 PolarHBondContact O-N 2.8Å; P199-G201 PolarHBondContact O-N 2.59Å; G201-G227 CarbonylContact C-O 3.58Å; G201-G227 VanDerWaalsContact CA-O 3.28Å; G201-G227 WeakPolarHBondContact CA-O 3.33Å; G201-V262 CarbonylContact O-C 3.55Å; G201-V262 WeakPolarHBondContact O-CA 3.42Å; G201-V262 WeakPolarHBondContact O-CB 3.3Å; G201-S263 PolarHBondContact O-N 3.37Å
202	I	98.6	Very high	96.6	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.046	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.5	178.6	-60.7	174.1	0	0	0	108.6	I196 E198 K204 L205 F225 G227 G230	I196-I202 HydrophobicContact CB-CD1 4.11Å; I196-I202 HydrophobicContact CG2-CD1 3.79Å; I196-I202 HydrophobicContact CG2-CG1 4.46Å; E198-I202 HydrophobicContact CB-CG1 4.15Å; E198-I202 HydrophobicContact CG-CG1 4.22Å; I202-K204 WeakPolarHBondContact CG2-O 3.44Å; I202-L205 HydrophobicContact CG2-CB 4.35Å; I202-F225 HydrophobicContact CB-CB 4.47Å; I202-F225 HydrophobicContact CB-CD2 3.9Å; I202-F225 HydrophobicContact CB-CG 4.46Å; I202-F225 HydrophobicContact CD1-CB 4.35Å; I202-F225 HydrophobicContact CG2-CB 4.26Å; I202-F225 HydrophobicContact CG2-CD2 3.74Å; I202-F225 HydrophobicContact CG2-CE2 4.27Å; I202-F225 HydrophobicContact CG2-CG 4.03Å; I202-F225 WeakPolarHBondContact O-CE2 3.31Å; I202-G227 PolarHBondContact N-O 3.15Å; I202-G230 VanDerWaalsContact CD1-CA 3.48Å; I202-G230 VanDerWaalsContact CD1-N 3.25Å
203	S	98	Very high	96.4	Very high	58 Å²	58	32.1 Å²	32.1	41%	0.406	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-32.3	179.7	59	0	0	0	0	112.8	D261 V262	S203-D261 PolarHBondContact N-O 3.35Å; S203-D261 VanDerWaalsContact OG-C 3.32Å; S203-D261 PolarHBondContact OG-O 3.03Å; S203-D261 VanDerWaalsContact OG-O 3.12Å; S203-V262 WeakPolarHBondContact CB-O 3.46Å; S203-V262 VanDerWaalsContact OG-C 3.26Å; S203-V262 PolarHBondContact OG-O 2.94Å
204	K	98.2	Very high	96.2	Very high	88 Å²	88	40.5 Å²	40.5	38%	0.383	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.9	176.5	60.5	-179.3	178.3	175.4	0	110.7	K173 I202 Y260 D261	K173-K204 VanDerWaalsContact O-CE 3.22Å; K173-K204 WeakPolarHBondContact O-CE 3.2Å; K173-K204 PolarHBondContact O-NZ 2.8Å; I202-K204 WeakPolarHBondContact CG2-O 3.44Å; K204-Y260 WeakPolarHBondContact O-CA 3.49Å; K204-Y260 VanDerWaalsContact O-CB 3.26Å; K204-Y260 WeakPolarHBondContact O-CB 3.38Å; K204-D261 HydrophobicContact CD-CB 4.44Å; K204-D261 VanDerWaalsContact CE-CB 3.5Å; K204-D261 HydrophobicContact CG-CB 4.1Å; K204-D261 PolarHBondContact O-N 3.13Å
205	L	98.5	Very high	95.8	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	128.3	174.8	177.6	63.4	0	0	0	109.8	I196 I202 F225 V232 V258 T259	I196-L205 HydrophobicContact CD1-CD1 3.73Å; I202-L205 HydrophobicContact CG2-CB 4.35Å; L205-F225 HydrophobicContact CB-CB 4.44Å; L205-F225 HydrophobicContact CB-CD1 3.67Å; L205-F225 HydrophobicContact CB-CE1 4.18Å; L205-F225 HydrophobicContact CB-CG 4.19Å; L205-F225 HydrophobicContact CD2-CB 4.05Å; L205-F225 HydrophobicContact CD2-CD1 4.38Å; L205-V232 HydrophobicContact CD1-CG2 3.99Å; L205-V232 HydrophobicContact CD2-CG2 3.96Å; L205-V232 HydrophobicContact CG-CG2 4.17Å; L205-V258 HydrophobicContact CD1-CG1 3.79Å; L205-T259 CarbonylContact C-O 3.57Å; L205-T259 WeakPolarHBondContact CA-O 3.27Å
206	D	98.3	Very high	95.6	Very high	50 Å²	50	48 Å²	48	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.8	175.5	-166.6	28.3	0	0	0	111.8	Q208 K223 V258 T259	D206-Q208 PolarHBondContact OD2-NE2 3.15Å; D206-K223 IonicContact OD1-NZ 3.69Å; D206-K223 PolarHBondContact OD1-NZ 3.36Å; D206-V258 WeakPolarHBondContact O-CA 3.29Å; D206-T259 PolarHBondContact N-O 2.91Å; D206-T259 PolarHBondContact O-N 3.48Å
207	A	97.5	Very high	95.4	Very high	10 Å²	10	48.9 Å²	48.9	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	127.4	-179.6	0	0	0	0	0	109.8	I221 K223 V232 F256 K257 V258	A207-I221 HydrophobicContact CB-CG2 3.77Å; A207-K223 HydrophobicContact CB-CD 4.31Å; A207-V232 HydrophobicContact CB-CG1 3.67Å; A207-V232 HydrophobicContact CB-CG2 4.35Å; A207-F256 HydrophobicContact CB-CZ 4.35Å; A207-K257 CarbonylContact C-O 3.5Å; A207-K257 WeakPolarHBondContact CA-O 3.48Å; A207-V258 HydrophobicContact CB-CG2 4.33Å
208	Q	95.8	Very high	95.1	Very high	103 Å²	103	52.8 Å²	52.8	48%	0.481	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.4	-172.4	-58.9	173.4	10.8	0	0	109.9	D206 K257	D206-Q208 PolarHBondContact OD2-NE2 3.15Å; Q208-K257 PolarHBondContact N-O 2.91Å; Q208-K257 PolarHBondContact O-N 2.89Å
209	A	95.4	Very high	94.9	Very high	11 Å²	11	59.3 Å²	59.3	9%	0.091	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106.9	174.5	0	0	0	0	0	108.8	F211 L212 I221 F256	A209-F211 HydrophobicContact CB-CE1 4.05Å; A209-F211 HydrophobicContact CB-CE2 4.23Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 PolarHBondContact O-N 2.86Å; A209-F211 VanDerWaalsContact O-N 3.13Å; A209-L212 HydrophobicContact CB-CB 4.18Å; A209-L212 HydrophobicContact CB-CD1 3.69Å; A209-L212 HydrophobicContact CB-CG 3.81Å; A209-L212 PolarHBondContact O-N 3.17Å; A209-I221 HydrophobicContact CB-CD1 3.99Å; A209-F256 HydrophobicContact CB-CD2 3.9Å; A209-F256 HydrophobicContact CB-CE2 4.31Å
210	S	90.2	Very high	94.8	Very high	97 Å²	97	59.1 Å²	59.1	68%	0.678	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.4	-173.2	65	0	0	0	0	113.9	H255	S210-H255 PolarHBondContact N-O 3.25Å
211	F	92.9	Very high	94.8	Very high	29 Å²	29	58.4 Å²	58.4	13%	0.127	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.1	-177.3	56	-95.3	0	0	0	113.4	V181 A209 F234 L251 L252 N253	V181-F211 HydrophobicContact CB-CE1 4.01Å; V181-F211 HydrophobicContact CB-CZ 4.1Å; V181-F211 HydrophobicContact CG1-CZ 4.19Å; V181-F211 HydrophobicContact CG2-CE1 4.2Å; V181-F211 HydrophobicContact CG2-CZ 4.2Å; A209-F211 HydrophobicContact CB-CE1 4.05Å; A209-F211 HydrophobicContact CB-CE2 4.23Å; A209-F211 HydrophobicContact CB-CZ 3.9Å; A209-F211 PolarHBondContact O-N 2.86Å; A209-F211 VanDerWaalsContact O-N 3.13Å; F211-F234 HydrophobicContact CE2-CZ 4.35Å; F211-F234 HydrophobicContact CZ-CE1 4.42Å; F211-L251 HydrophobicContact CD2-CD1 4.28Å; F211-L251 WeakPolarHBondContact CD2-O 3.41Å; F211-L252 HydrophobicContact CD2-CD2 4.16Å; F211-L252 HydrophobicContact CE2-CD2 3.48Å; F211-L252 VanDerWaalsContact CE2-CD2 3.48Å; F211-L252 HydrophobicContact CZ-CD2 4.25Å; F211-N253 WeakPolarHBondContact CB-O 3.25Å
212	L	93.3	Very high	94.8	Very high	17 Å²	17	64.9 Å²	64.9	9%	0.089	35%	0.345	C	S	.	.	S	Bend	trans	-99.6	137.2	177.9	-63.2	-178.9	0	0	0	111.2	A209 L216 A217 I221 F234 L251	A209-L212 HydrophobicContact CB-CB 4.18Å; A209-L212 HydrophobicContact CB-CD1 3.69Å; A209-L212 HydrophobicContact CB-CG 3.81Å; A209-L212 PolarHBondContact O-N 3.17Å; L212-L216 HydrophobicContact CD2-CD2 3.97Å; L212-L216 HydrophobicContact CD2-CG 4.46Å; L212-A217 HydrophobicContact CB-CB 4.02Å; L212-A217 HydrophobicContact CD1-CB 4.28Å; L212-I221 HydrophobicContact CD1-CD1 4.37Å; L212-F234 HydrophobicContact CD1-CE2 3.59Å; L212-F234 HydrophobicContact CD1-CZ 3.82Å; L212-L251 HydrophobicContact CD2-CD1 3.49Å; L212-L251 VanDerWaalsContact CD2-CD1 3.49Å
213	P	92.7	Very high	94.7	Very high	79 Å²	79	69.2 Å²	69.2	51%	0.513	36%	0.364	S	S	.	.			trans	-57.3	147	162.2	-21.6	32.9	0	0	0	110.8	E215 L216 A217	P213-E215 VanDerWaalsContact C-N 3.26Å; P213-E215 PolarHBondContact O-N 2.96Å; P213-L216 PolarHBondContact O-N 3.2Å; P213-L216 VanDerWaalsContact O-N 3.1Å; P213-A217 PolarHBondContact O-N 3.1Å
214	K	91.9	Very high	94.7	Very high	192 Å²	192	70.2 Å²	70.2	84%	0.835	37%	0.371	S	S	*	.	H	α-helix	trans	-54	-41.1	-176	-67.6	-176.6	179.2	179.9	0	113.2	A217 A218	K214-A217 PolarHBondContact O-N 3.49Å; K214-A218 PolarHBondContact O-N 3.38Å; K214-A218 VanDerWaalsContact O-N 3.08Å
215	E	91.4	Very high	94.7	Very high	157 Å²	157	70.3 Å²	70.3	73%	0.734	37%	0.371	S	S	*	.	H	α-helix	trans	-64.8	-45	179.6	-64.2	176.4	-172.8	0	0	112.1	P213 A218 Q219	P213-E215 VanDerWaalsContact C-N 3.26Å; P213-E215 PolarHBondContact O-N 2.96Å; E215-A218 PolarHBondContact O-N 3.34Å; E215-Q219 WeakPolarHBondContact O-CG 3.47Å; E215-Q219 PolarHBondContact O-N 2.87Å
216	L	90.8	Very high	94.6	Very high	32 Å²	32	74.3 Å²	74.3	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-69	-39	179.1	-175	60.8	0	0	0	111.4	L212 P213 A218 Q219 T220 Q240 L251	L212-L216 HydrophobicContact CD2-CD2 3.97Å; L212-L216 HydrophobicContact CD2-CG 4.46Å; P213-L216 PolarHBondContact O-N 3.2Å; P213-L216 VanDerWaalsContact O-N 3.1Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.41Å; L216-Q219 PolarHBondContact O-N 3.12Å; L216-T220 HydrophobicContact CD1-CG2 3.84Å; L216-T220 HydrophobicContact CG-CG2 4.27Å; L216-T220 WeakPolarHBondContact O-CB 3.5Å; L216-T220 WeakPolarHBondContact O-CG2 3.33Å; L216-T220 PolarHBondContact O-N 2.82Å; L216-T220 PolarHBondContact O-OG1 3.33Å; L216-Q240 HydrophobicContact CD1-CB 4.12Å; L216-Q240 HydrophobicContact CD1-CG 3.91Å; L216-L251 HydrophobicContact CD2-CD2 4.16Å
217	A	93.2	Very high	94.6	Very high	18 Å²	18	74.4 Å²	74.4	15%	0.149	41%	0.413	C	S	.	.	H	α-helix	trans	-59	-44.2	174.9	0	0	0	0	0	111.5	L212 P213 K214 Q219 T220 I221	L212-A217 HydrophobicContact CB-CB 4.02Å; L212-A217 HydrophobicContact CD1-CB 4.28Å; P213-A217 PolarHBondContact O-N 3.1Å; K214-A217 PolarHBondContact O-N 3.49Å; A217-Q219 VanDerWaalsContact C-N 3.28Å; A217-Q219 PolarHBondContact O-N 2.98Å; A217-T220 PolarHBondContact O-N 2.96Å; A217-I221 HydrophobicContact CB-CD1 4.09Å; A217-I221 WeakPolarHBondContact O-CB 3.05Å; A217-I221 WeakPolarHBondContact O-CG1 3.14Å; A217-I221 PolarHBondContact O-N 2.84Å
218	A	92.3	Very high	94.6	Very high	82 Å²	82	75.3 Å²	75.3	68%	0.678	42%	0.415	S	S	*	.	H	α-helix	trans	-63.1	-31.3	178.7	0	0	0	0	0	113.5	K214 E215 L216	K214-A218 PolarHBondContact O-N 3.38Å; K214-A218 VanDerWaalsContact O-N 3.08Å; E215-A218 PolarHBondContact O-N 3.34Å; L216-A218 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.41Å
219	Q	92.6	Very high	94.7	Very high	138 Å²	138	76 Å²	76	65%	0.645	42%	0.417	S	S	*	.	H	α-helix	trans	-83.3	-30.9	178.9	-65.9	175.1	18.2	0	0	113.3	E215 L216 A217	E215-Q219 WeakPolarHBondContact O-CG 3.47Å; E215-Q219 PolarHBondContact O-N 2.87Å; L216-Q219 PolarHBondContact O-N 3.12Å; A217-Q219 VanDerWaalsContact C-N 3.28Å; A217-Q219 PolarHBondContact O-N 2.98Å
220	T	94.3	Very high	94.8	Very high	10 Å²	10	75.5 Å²	75.5	6%	0.061	41%	0.413	C	S	.	.	H	α-helix	trans	-101.5	-28.6	-169.5	53.6	0	0	0	0	114.1	L216 A217 Q240	L216-T220 HydrophobicContact CD1-CG2 3.84Å; L216-T220 HydrophobicContact CG-CG2 4.27Å; L216-T220 WeakPolarHBondContact O-CB 3.5Å; L216-T220 WeakPolarHBondContact O-CG2 3.33Å; L216-T220 PolarHBondContact O-N 2.82Å; L216-T220 PolarHBondContact O-OG1 3.33Å; A217-T220 PolarHBondContact O-N 2.96Å; T220-Q240 HydrophobicContact CG2-CG 4.4Å
221	I	97.3	Very high	95.1	Very high	23 Å²	23	74 Å²	74	12%	0.118	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.9	179	-55.4	176.8	0	0	0	108.6	A207 A209 L212 A217 V232 F234 F256	A207-I221 HydrophobicContact CB-CG2 3.77Å; A209-I221 HydrophobicContact CB-CD1 3.99Å; L212-I221 HydrophobicContact CD1-CD1 4.37Å; A217-I221 HydrophobicContact CB-CD1 4.09Å; A217-I221 WeakPolarHBondContact O-CB 3.05Å; A217-I221 WeakPolarHBondContact O-CG1 3.14Å; A217-I221 PolarHBondContact O-N 2.84Å; I221-V232 HydrophobicContact CG2-CG1 4.29Å; I221-F234 HydrophobicContact CG1-CD2 3.78Å; I221-F234 HydrophobicContact CG1-CE2 4.37Å; I221-F234 HydrophobicContact CG1-CG 4.46Å; I221-F256 HydrophobicContact CD1-CE2 3.82Å; I221-F256 HydrophobicContact CD1-CZ 4.43Å; I221-F256 HydrophobicContact CG1-CE2 4.04Å; I221-F256 HydrophobicContact CG2-CZ 4.28Å
222	K	97.6	Very high	95.4	Very high	144 Å²	144	72.6 Å²	72.6	63%	0.626	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.7	172.2	-60.4	-177.4	-178.5	-177.5	0	108.3	V232 L233	K222-V232 CarbonylContact O-C 3.59Å; K222-V232 WeakPolarHBondContact O-CA 3.3Å; K222-L233 HydrophobicContact CB-CB 4.41Å; K222-L233 PolarHBondContact N-O 2.63Å; K222-L233 PolarHBondContact O-N 2.82Å
223	K	97.4	Very high	95.6	Very high	101 Å²	101	72.9 Å²	72.9	44%	0.439	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.9	174.9	69.8	-172.8	-175.3	-162.1	0	110.5	D206 A207 H231 V232	D206-K223 IonicContact OD1-NZ 3.69Å; D206-K223 PolarHBondContact OD1-NZ 3.36Å; A207-K223 HydrophobicContact CB-CD 4.31Å; K223-H231 CarbonylContact C-O 3.59Å; K223-H231 VanDerWaalsContact CA-O 3.28Å; K223-H231 WeakPolarHBondContact CA-O 3.43Å; K223-V232 HydrophobicContact CB-CG2 4.12Å
224	S	97.2	Very high	95.9	Very high	78 Å²	78	69.1 Å²	69.1	55%	0.545	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	152.3	174.2	58.4	0	0	0	0	109.9	G230 H231	S224-G230 WeakPolarHBondContact O-CA 3.33Å; S224-H231 PolarHBondContact N-O 3.12Å; S224-H231 PolarHBondContact O-N 3.09Å
225	F	98.2	Very high	96.1	Very high	90 Å²	90	66.3 Å²	66.3	40%	0.395	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.2	170	69.9	-81	0	0	0	109.9	I202 L205 K229	I202-F225 HydrophobicContact CB-CB 4.47Å; I202-F225 HydrophobicContact CB-CD2 3.9Å; I202-F225 HydrophobicContact CB-CG 4.46Å; I202-F225 HydrophobicContact CD1-CB 4.35Å; I202-F225 HydrophobicContact CG2-CB 4.26Å; I202-F225 HydrophobicContact CG2-CD2 3.74Å; I202-F225 HydrophobicContact CG2-CE2 4.27Å; I202-F225 HydrophobicContact CG2-CG 4.03Å; I202-F225 WeakPolarHBondContact O-CE2 3.31Å; L205-F225 HydrophobicContact CB-CB 4.44Å; L205-F225 HydrophobicContact CB-CD1 3.67Å; L205-F225 HydrophobicContact CB-CE1 4.18Å; L205-F225 HydrophobicContact CB-CG 4.19Å; L205-F225 HydrophobicContact CD2-CB 4.05Å; L205-F225 HydrophobicContact CD2-CD1 4.38Å; F225-K229 CarbonylContact C-O 3.52Å; F225-K229 VanDerWaalsContact CA-O 3.23Å; F225-K229 WeakPolarHBondContact CA-O 3.49Å; F225-K229 WeakPolarHBondContact CB-O 3.45Å
226	S	97	Very high	96.4	Very high	100 Å²	100	59 Å²	59	70%	0.699	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.3	126.3	174.8	-175	0	0	0	0	109.5	K228 K229	S226-K228 PolarHBondContact O-N 3.09Å; S226-K228 VanDerWaalsContact O-N 3.15Å; S226-K229 PolarHBondContact N-O 2.93Å; S226-K229 PolarHBondContact O-N 2.85Å; S226-K229 VanDerWaalsContact O-N 3.14Å
227	G	97	Very high	96.6	Very high	51 Å²	51	60.7 Å²	60.7	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-119	-175	0	0	0	0	0	111.3	G201 I202	G201-G227 CarbonylContact C-O 3.58Å; G201-G227 VanDerWaalsContact CA-O 3.28Å; G201-G227 WeakPolarHBondContact CA-O 3.33Å; I202-G227 PolarHBondContact N-O 3.15Å
228	K	97.7	Very high	96.7	Very high	29 Å²	29	61.4 Å²	61.4	13%	0.126	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-14.1	-176.1	-58.3	177.5	-175.2	171.9	0	114.5	F197 E198 P199 S226 E546 L550 E553	F197-K228 CarbonylContact C-O 3.58Å; F197-K228 VanDerWaalsContact CA-O 3.31Å; F197-K228 WeakPolarHBondContact CA-O 3.31Å; F197-K228 HydrophobicContact CD2-CB 4.27Å; F197-K228 HydrophobicContact CE2-CB 3.98Å; F197-K228 HydrophobicContact CE2-CD 4.23Å; F197-K228 HydrophobicContact CZ-CB 4.47Å; F197-K228 HydrophobicContact CZ-CD 4.08Å; E198-K228 PolarHBondContact N-O 2.94Å; E198-K228 WeakPolarHBondContact O-CA 3.48Å; E198-K228 VanDerWaalsContact O-CB 3.25Å; E198-K228 WeakPolarHBondContact O-CB 3.29Å; E198-K228 WeakPolarHBondContact O-CG 3.39Å; P199-K228 WeakPolarHBondContact O-CE 3.44Å; S226-K228 PolarHBondContact O-N 3.09Å; S226-K228 VanDerWaalsContact O-N 3.15Å; K228-E546 WeakPolarHBondContact CE-OE1 3.5Å; K228-E546 IonicContact NZ-OE1 2.72Å; K228-E546 PolarHBondContact NZ-OE1 2.79Å; K228-L550 HydrophobicContact CD-CD2 3.84Å; K228-E553 VanDerWaalsContact CD-OE2 3.25Å; K228-E553 WeakPolarHBondContact CD-OE2 3.4Å; K228-E553 IonicContact NZ-OE1 3.62Å; K228-E553 IonicContact NZ-OE2 3.47Å; K228-E553 PolarHBondContact NZ-OE2 3.36Å
229	K	97.5	Very high	96.7	Very high	117 Å²	117	61.3 Å²	61.3	51%	0.509	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.7	-170.4	-66.4	-175.4	177.7	-177.5	0	111.2	I196 F197 F225 S226	I196-K229 CarbonylContact O-C 3.52Å; I196-K229 WeakPolarHBondContact O-CA 3.23Å; F197-K229 HydrophobicContact CD2-CG 4.07Å; F225-K229 CarbonylContact C-O 3.52Å; F225-K229 VanDerWaalsContact CA-O 3.23Å; F225-K229 WeakPolarHBondContact CA-O 3.49Å; F225-K229 WeakPolarHBondContact CB-O 3.45Å; S226-K229 PolarHBondContact N-O 2.93Å; S226-K229 PolarHBondContact O-N 2.85Å; S226-K229 VanDerWaalsContact O-N 3.14Å
230	G	97.3	Very high	96.8	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.4	172.9	0	0	0	0	0	110.1	I196 I202 S224	I196-G230 PolarHBondContact N-O 3.41Å; I196-G230 PolarHBondContact O-N 2.93Å; I202-G230 VanDerWaalsContact CD1-CA 3.48Å; I202-G230 VanDerWaalsContact CD1-N 3.25Å; S224-G230 WeakPolarHBondContact O-CA 3.33Å
231	H	98.2	Very high	96.8	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.301	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.1	-179.1	-169.5	-122.6	0	0	0	110.4	D193 V194 K223 S224	D193-H231 IonicContact OD1-CD2 3.47Å; D193-H231 IonicContact OD1-NE2 3.33Å; D193-H231 IonicContact OD2-CD2 2.69Å; D193-H231 IonicContact OD2-CE1 3.62Å; D193-H231 IonicContact OD2-NE2 3.8Å; D193-H231 PolarHBondContact OD2-NE2 2.94Å; V194-H231 WeakPolarHBondContact O-CA 3.44Å; K223-H231 CarbonylContact C-O 3.59Å; K223-H231 VanDerWaalsContact CA-O 3.28Å; K223-H231 WeakPolarHBondContact CA-O 3.43Å; S224-H231 PolarHBondContact N-O 3.12Å; S224-H231 PolarHBondContact O-N 3.09Å
232	V	98.5	Very high	96.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.7	170.1	-177.7	0	0	0	0	108	D193 V194 L205 A207 I221 K222 K223 F256 V258	D193-V232 WeakPolarHBondContact CA-O 3.29Å; V194-V232 HydrophobicContact CB-CB 4.19Å; V194-V232 PolarHBondContact N-O 3.19Å; V194-V232 PolarHBondContact O-N 3.41Å; L205-V232 HydrophobicContact CD1-CG2 3.99Å; L205-V232 HydrophobicContact CD2-CG2 3.96Å; L205-V232 HydrophobicContact CG-CG2 4.17Å; A207-V232 HydrophobicContact CB-CG1 3.67Å; A207-V232 HydrophobicContact CB-CG2 4.35Å; I221-V232 HydrophobicContact CG2-CG1 4.29Å; K222-V232 CarbonylContact O-C 3.59Å; K222-V232 WeakPolarHBondContact O-CA 3.3Å; K223-V232 HydrophobicContact CB-CG2 4.12Å; V232-F256 HydrophobicContact CG1-CE1 4.06Å; V232-F256 HydrophobicContact CG1-CZ 3.97Å; V232-V258 HydrophobicContact CB-CG2 4.39Å; V232-V258 HydrophobicContact CG1-CG2 4.15Å; V232-V258 HydrophobicContact CG2-CG1 3.95Å; V232-V258 HydrophobicContact CG2-CG2 4.32Å
233	L	98.1	Very high	96.1	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.8	178.7	-175.5	66	0	0	0	110.4	E191 I192 D193 K222 R235	E191-L233 HydrophobicContact CG-CD1 4.2Å; I192-L233 WeakPolarHBondContact O-CA 3.31Å; D193-L233 HydrophobicContact CB-CD1 4.08Å; K222-L233 HydrophobicContact CB-CB 4.41Å; K222-L233 PolarHBondContact N-O 2.63Å; K222-L233 PolarHBondContact O-N 2.82Å; L233-R235 HydrophobicContact CD1-CG 3.91Å; L233-R235 HydrophobicContact CG-CG 4.09Å
234	F	98.1	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112.7	173.6	173.1	-118.8	0	0	0	109.5	F190 E191 I192 F211 L212 I221 P236 L252 F256	F190-F234 HydrophobicContact CD1-CD1 4.2Å; F190-F234 HydrophobicContact CD1-CE1 4.01Å; F190-F234 AromaticContact CE1-CD1 3.77Å; F190-F234 HydrophobicContact CE1-CD1 3.77Å; F190-F234 AromaticContact CE1-CE1 3.63Å; F190-F234 HydrophobicContact CE1-CE1 3.63Å; E191-F234 CarbonylContact C-O 3.17Å; E191-F234 WeakPolarHBondContact CA-O 3.32Å; I192-F234 HydrophobicContact CB-CB 4.31Å; I192-F234 HydrophobicContact CD1-CD1 4.07Å; I192-F234 HydrophobicContact CG1-CD1 4.34Å; I192-F234 PolarHBondContact N-O 3.08Å; I192-F234 PolarHBondContact O-N 2.89Å; F211-F234 HydrophobicContact CE2-CZ 4.35Å; F211-F234 HydrophobicContact CZ-CE1 4.42Å; L212-F234 HydrophobicContact CD1-CE2 3.59Å; L212-F234 HydrophobicContact CD1-CZ 3.82Å; I221-F234 HydrophobicContact CG1-CD2 3.78Å; I221-F234 HydrophobicContact CG1-CE2 4.37Å; I221-F234 HydrophobicContact CG1-CG 4.46Å; F234-P236 HydrophobicContact CD1-CG 4.44Å; F234-P236 HydrophobicContact CE1-CG 3.74Å; F234-P236 HydrophobicContact CE2-CB 3.97Å; F234-P236 HydrophobicContact CE2-CG 3.92Å; F234-P236 HydrophobicContact CZ-CB 3.86Å; F234-P236 HydrophobicContact CZ-CG 3.45Å; F234-P236 VanDerWaalsContact CZ-CG 3.45Å; F234-L252 HydrophobicContact CE1-CD2 4.23Å; F234-L252 HydrophobicContact CZ-CD2 4.05Å; F234-F256 HydrophobicContact CB-CE2 3.71Å; F234-F256 HydrophobicContact CB-CZ 3.77Å; F234-F256 HydrophobicContact CD1-CD2 4.08Å; F234-F256 AromaticContact CD1-CE2 3.9Å; F234-F256 HydrophobicContact CD1-CE2 3.9Å; F234-F256 HydrophobicContact CD2-CE2 4.3Å; F234-F256 HydrophobicContact CG-CD2 4.36Å; F234-F256 AromaticContact CG-CE2 3.71Å; F234-F256 HydrophobicContact CG-CE2 3.71Å; F234-F256 HydrophobicContact CG-CZ 4.31Å
235	R	97.1	Very high	95	Very high	132 Å²	132	51.9 Å²	51.9	50%	0.498	30%	0.297	S	S	.	.			trans	-133.6	73.1	-176.9	-74.6	-176.1	173.6	147.7	12.7	110.6	E191 L233	E191-R235 HydrophobicContact CB-CG 4.22Å; E191-R235 HydrophobicContact CG-CG 3.87Å; E191-R235 IonicContact OE1-CZ 3.37Å; E191-R235 IonicContact OE1-NE 3.64Å; E191-R235 IonicContact OE1-NH2 2.66Å; E191-R235 PolarHBondContact OE1-NH2 3.31Å; E191-R235 IonicContact OE2-CZ 2.74Å; E191-R235 VanDerWaalsContact OE2-CZ 3.24Å; E191-R235 IonicContact OE2-NE 3.77Å; E191-R235 PolarHBondContact OE2-NE 3.05Å; E191-R235 IonicContact OE2-NH2 3.93Å; E191-R235 PolarHBondContact OE2-NH2 3.27Å; L233-R235 HydrophobicContact CD1-CG 3.91Å; L233-R235 HydrophobicContact CG-CG 4.09Å
236	P	96.9	Very high	94.4	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.032	32%	0.316	C	S	.	.			trans	-71.1	134.1	179	32.6	-36	0	0	0	111	F190 F234 Q240 Q241 L252	F190-P236 HydrophobicContact CB-CG 4.17Å; F190-P236 HydrophobicContact CD1-CG 3.79Å; F190-P236 HydrophobicContact CG-CG 4.28Å; F234-P236 HydrophobicContact CD1-CG 4.44Å; F234-P236 HydrophobicContact CE1-CG 3.74Å; F234-P236 HydrophobicContact CE2-CB 3.97Å; F234-P236 HydrophobicContact CE2-CG 3.92Å; F234-P236 HydrophobicContact CZ-CB 3.86Å; F234-P236 HydrophobicContact CZ-CG 3.45Å; F234-P236 VanDerWaalsContact CZ-CG 3.45Å; P236-Q240 HydrophobicContact CB-CB 4.25Å; P236-Q241 HydrophobicContact CB-CG 4.01Å; P236-Q241 HydrophobicContact CG-CG 4.03Å; P236-Q241 PolarHBondContact O-NE2 2.85Å; P236-L252 HydrophobicContact CG-CD1 4.46Å; P236-L252 HydrophobicContact CG-CD2 4.43Å
237	T	95.5	Very high	93.9	Very high	67 Å²	67	51 Å²	51	41%	0.411	30%	0.296	S	S	.	.			trans	-68.8	161.8	171.1	64.3	0	0	0	0	110.9	S239 Q240 Q241	T237-S239 PolarHBondContact O-N 2.84Å; T237-S239 PolarHBondContact OG1-OG 2.9Å; T237-Q240 WeakPolarHBondContact O-CB 3.48Å; T237-Q240 PolarHBondContact O-N 3.23Å; T237-Q240 VanDerWaalsContact OG1-CG 3.31Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.19Å; T237-Q240 PolarHBondContact OG1-N 3.41Å; T237-Q240 PolarHBondContact OG1-OE1 2.97Å; T237-Q241 WeakPolarHBondContact O-CG 3.36Å; T237-Q241 PolarHBondContact O-N 2.75Å; T237-Q241 VanDerWaalsContact O-N 3.08Å
238	V	94.8	Very high	93.3	Very high	33 Å²	33	52.9 Å²	52.9	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-51.5	-42.7	175.7	177.7	0	0	0	0	111.8	T46 L186 Q240 Q241 Q242	T46-V238 HydrophobicContact CG2-CG1 3.98Å; L186-V238 HydrophobicContact CB-CG1 4.43Å; L186-V238 HydrophobicContact CD1-CG1 4.26Å; V238-Q240 VanDerWaalsContact C-N 3.33Å; V238-Q240 PolarHBondContact O-N 3.02Å; V238-Q241 WeakPolarHBondContact O-CB 3.33Å; V238-Q241 PolarHBondContact O-N 2.89Å; V238-Q241 VanDerWaalsContact O-N 3.09Å; V238-Q242 PolarHBondContact O-N 2.65Å
239	S	92.9	Very high	92.9	Very high	80 Å²	80	55.4 Å²	55.4	56%	0.559	32%	0.319	S	S	*	.	H	α-helix	trans	-62.8	-36.1	177.9	55.4	0	0	0	0	113.8	T237 Q241 Q242	T237-S239 PolarHBondContact O-N 2.84Å; T237-S239 PolarHBondContact OG1-OG 2.9Å; S239-Q241 VanDerWaalsContact C-N 3.26Å; S239-Q241 PolarHBondContact O-N 2.84Å; S239-Q242 PolarHBondContact O-N 2.88Å
240	Q	93.3	Very high	92.6	Very high	50 Å²	50	51.1 Å²	51.1	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-75.6	-17.4	176.9	-68.5	170.8	-29.4	0	0	112.5	L216 T220 P236 T237 V238	L216-Q240 HydrophobicContact CD1-CB 4.12Å; L216-Q240 HydrophobicContact CD1-CG 3.91Å; T220-Q240 HydrophobicContact CG2-CG 4.4Å; P236-Q240 HydrophobicContact CB-CB 4.25Å; T237-Q240 WeakPolarHBondContact O-CB 3.48Å; T237-Q240 PolarHBondContact O-N 3.23Å; T237-Q240 VanDerWaalsContact OG1-CG 3.31Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.19Å; T237-Q240 PolarHBondContact OG1-N 3.41Å; T237-Q240 PolarHBondContact OG1-OE1 2.97Å; V238-Q240 VanDerWaalsContact C-N 3.33Å; V238-Q240 PolarHBondContact O-N 3.02Å
241	Q	94.3	Very high	92.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-84.6	-15.6	176.3	-64.1	172.5	35.1	0	0	112.9	L186 V187 P236 T237 V238 S239 S250 L251 L252	L186-Q241 HydrophobicContact CD2-CB 3.67Å; V187-Q241 PolarHBondContact O-NE2 3.37Å; V187-Q241 PolarHBondContact O-OE1 2.91Å; P236-Q241 HydrophobicContact CB-CG 4.01Å; P236-Q241 HydrophobicContact CG-CG 4.03Å; P236-Q241 PolarHBondContact O-NE2 2.85Å; T237-Q241 WeakPolarHBondContact O-CG 3.36Å; T237-Q241 PolarHBondContact O-N 2.75Å; T237-Q241 VanDerWaalsContact O-N 3.08Å; V238-Q241 WeakPolarHBondContact O-CB 3.33Å; V238-Q241 PolarHBondContact O-N 2.89Å; V238-Q241 VanDerWaalsContact O-N 3.09Å; S239-Q241 VanDerWaalsContact C-N 3.26Å; S239-Q241 PolarHBondContact O-N 2.84Å; Q241-S250 CarbonylContact O-C 3.42Å; Q241-S250 WeakPolarHBondContact O-CA 3.21Å; Q241-S250 PolarHBondContact O-OG 2.92Å; Q241-L251 WeakPolarHBondContact O-CG 3.3Å; Q241-L251 PolarHBondContact O-N 2.92Å; Q241-L252 HydrophobicContact CB-CD1 4.35Å; Q241-L252 HydrophobicContact CB-CG 4.26Å; Q241-L252 HydrophobicContact CG-CD1 3.67Å; Q241-L252 HydrophobicContact CG-CG 3.99Å
242	Q	92.7	Very high	92.3	Very high	19 Å²	19	49.7 Å²	49.7	9%	0.089	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-75.6	138.1	-177.9	-64.3	176.5	-83	0	0	111.4	L186 V238 S239 C244 C247	L186-Q242 HydrophobicContact CD1-CG 3.98Å; L186-Q242 HydrophobicContact CD2-CG 3.96Å; V238-Q242 PolarHBondContact O-N 2.65Å; S239-Q242 PolarHBondContact O-N 2.88Å; Q242-C244 VanDerWaalsContact C-N 3.25Å; Q242-C244 WeakPolarHBondContact CB-O 3.44Å; Q242-C244 PolarHBondContact O-N 2.82Å; Q242-C247 PolarHBondContact NE2-O 2.65Å
243	S	89.4	Confident	92.1	Very high	66 Å²	66	54.2 Å²	54.2	46%	0.462	32%	0.322	S	S	.	.	S	Bend	trans	-66.9	-27.6	177	-51.6	0	0	0	0	113.2	T249 L251	S243-T249 PolarHBondContact N-O 3.26Å; S243-T249 PolarHBondContact OG-O 3.48Å; S243-T249 VanDerWaalsContact OG-O 3.12Å; S243-T249 PolarHBondContact OG-OG1 2.86Å; S243-L251 PolarHBondContact OG-N 3.09Å
244	C	87	Confident	91.9	Very high	40 Å²	40	53.5 Å²	53.5	27%	0.27	32%	0.32	S	S	.	.	S	Bend	trans	-145.7	160.3	172.9	89.9	0	0	0	0	109.4	Q242 T246 C247	Q242-C244 VanDerWaalsContact C-N 3.25Å; Q242-C244 WeakPolarHBondContact CB-O 3.44Å; Q242-C244 PolarHBondContact O-N 2.82Å; C244-T246 PolarHBondContact O-N 3.28Å; C244-C247 HydrophobicContact CB-CB 3.97Å; C244-C247 WeakPolarHBondContact CB-SG 3.37Å; C244-C247 PolarHBondContact O-N 2.86Å; C244-C247 VanDerWaalsContact O-N 3.09Å; C244-C247 WeakPolarHBondContact SG-CB 3.33Å; C244-C247 PolarHBondContact SG-N 2.95Å; C244-C247 CovalentContact SG-SG 2.03Å; C244-C247 PolarHBondContact SG-SG 3.06Å
245	P	84.5	Confident	91.7	Very high	120 Å²	120	56.2 Å²	56.2	78%	0.779	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.2	-173	-28.6	35.9	0	0	0	116
246	T	84.9	Confident	91.7	Very high	131 Å²	131	50 Å²	50	80%	0.804	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	3.6	-177.8	54.6	0	0	0	0	113.5	C244	C244-T246 PolarHBondContact O-N 3.28Å
247	C	86.3	Confident	91.8	Very high	41 Å²	41	53.1 Å²	53.1	28%	0.277	32%	0.322	S	S	.	.			trans	-82.6	145	-177	-68.4	0	0	0	0	111.3	Q242 C244	Q242-C247 PolarHBondContact NE2-O 2.65Å; C244-C247 HydrophobicContact CB-CB 3.97Å; C244-C247 WeakPolarHBondContact CB-SG 3.37Å; C244-C247 PolarHBondContact O-N 2.86Å; C244-C247 VanDerWaalsContact O-N 3.09Å; C244-C247 WeakPolarHBondContact SG-CB 3.33Å; C244-C247 PolarHBondContact SG-N 2.95Å; C244-C247 CovalentContact SG-SG 2.03Å; C244-C247 PolarHBondContact SG-SG 3.06Å
248	S	83.8	Confident	91.9	Very high	90 Å²	90	50 Å²	50	63%	0.629	30%	0.303	S	S	*	.	S	Bend	trans	-82	-14.6	171.6	55.4	0	0	0	0	113.5
249	T	89.6	Confident	92.1	Very high	82 Å²	82	49.2 Å²	49.2	50%	0.503	30%	0.299	S	S	.	.	S	Bend	trans	-78	142.9	-179.5	57.9	0	0	0	0	111.8	S243	S243-T249 PolarHBondContact N-O 3.26Å; S243-T249 PolarHBondContact OG-O 3.48Å; S243-T249 VanDerWaalsContact OG-O 3.12Å; S243-T249 PolarHBondContact OG-OG1 2.86Å
250	S	92.3	Very high	92.4	Very high	27 Å²	27	45.4 Å²	45.4	19%	0.189	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-94.4	137.3	177.8	-172.3	0	0	0	0	112.8	Q241 L252	Q241-S250 CarbonylContact O-C 3.42Å; Q241-S250 WeakPolarHBondContact O-CA 3.21Å; Q241-S250 PolarHBondContact O-OG 2.92Å; S250-L252 PolarHBondContact O-N 3.22Å; S250-L252 WeakPolarHBondContact OG-CB 3.34Å; S250-L252 PolarHBondContact OG-N 2.88Å; S250-L252 VanDerWaalsContact OG-N 3.13Å
251	L	93.8	Very high	92.7	Very high	33 Å²	33	43.4 Å²	43.4	17%	0.173	26%	0.263	C	S	.	.			trans	-76.9	-5.6	169.2	60.7	65.6	0	0	0	113.3	F211 L212 L216 Q241 S243 N253	F211-L251 HydrophobicContact CD2-CD1 4.28Å; F211-L251 WeakPolarHBondContact CD2-O 3.41Å; L212-L251 HydrophobicContact CD2-CD1 3.49Å; L212-L251 VanDerWaalsContact CD2-CD1 3.49Å; L216-L251 HydrophobicContact CD2-CD2 4.16Å; Q241-L251 WeakPolarHBondContact O-CG 3.3Å; Q241-L251 PolarHBondContact O-N 2.92Å; S243-L251 PolarHBondContact OG-N 3.09Å; L251-N253 PolarHBondContact O-N 2.78Å
252	L	94.4	Very high	92.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	26%	0.264	C	S	.	.			trans	-72	74.8	177.4	-67.2	-169.2	0	0	0	110.3	V181 P183 F190 F211 F234 P236 Q241 S250	V181-L252 HydrophobicContact CG1-CB 3.85Å; V181-L252 HydrophobicContact CG1-CD1 4.45Å; V181-L252 HydrophobicContact CG1-CD2 4.42Å; V181-L252 HydrophobicContact CG1-CG 4.48Å; P183-L252 WeakPolarHBondContact CD-O 3.41Å; P183-L252 HydrophobicContact CG-CB 4.06Å; P183-L252 HydrophobicContact CG-CD1 4.27Å; F190-L252 HydrophobicContact CD1-CD1 4.27Å; F190-L252 HydrophobicContact CD2-CD1 3.82Å; F190-L252 HydrophobicContact CE1-CD1 4.48Å; F190-L252 HydrophobicContact CE2-CD1 4.06Å; F190-L252 HydrophobicContact CG-CD1 3.93Å; F190-L252 HydrophobicContact CZ-CD1 4.4Å; F211-L252 HydrophobicContact CD2-CD2 4.16Å; F211-L252 HydrophobicContact CE2-CD2 3.48Å; F211-L252 VanDerWaalsContact CE2-CD2 3.48Å; F211-L252 HydrophobicContact CZ-CD2 4.25Å; F234-L252 HydrophobicContact CE1-CD2 4.23Å; F234-L252 HydrophobicContact CZ-CD2 4.05Å; P236-L252 HydrophobicContact CG-CD1 4.46Å; P236-L252 HydrophobicContact CG-CD2 4.43Å; Q241-L252 HydrophobicContact CB-CD1 4.35Å; Q241-L252 HydrophobicContact CB-CG 4.26Å; Q241-L252 HydrophobicContact CG-CD1 3.67Å; Q241-L252 HydrophobicContact CG-CG 3.99Å; S250-L252 PolarHBondContact O-N 3.22Å; S250-L252 WeakPolarHBondContact OG-CB 3.34Å; S250-L252 PolarHBondContact OG-N 2.88Å; S250-L252 VanDerWaalsContact OG-N 3.13Å
253	N	94.8	Very high	93.1	Very high	95 Å²	95	44.2 Å²	44.2	51%	0.508	27%	0.271	S	S	.	.			trans	-146.4	90.9	-178.8	-174.8	14	0	0	0	110.8	V181 F211 L251	V181-N253 CarbonylContact O-C 3.53Å; V181-N253 VanDerWaalsContact O-CA 3.26Å; V181-N253 WeakPolarHBondContact O-CA 3.46Å; F211-N253 WeakPolarHBondContact CB-O 3.25Å; L251-N253 PolarHBondContact O-N 2.78Å
254	G	94.1	Very high	93.4	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-150.3	177.9	0	0	0	0	0	112.6	V181	V181-G254 PolarHBondContact N-O 3.11Å; V181-G254 PolarHBondContact O-N 3.34Å
255	H	93.9	Very high	93.7	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.269	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.2	-179.1	-61.9	-81.7	0	0	0	110.4	V178 K180 S210 K257	V178-H255 HydrophobicContact CG1-CB 4.15Å; K180-H255 WeakPolarHBondContact CD-CE1 3.17Å; K180-H255 PolarHBondContact NZ-CE1 3.42Å; K180-H255 PolarHBondContact NZ-NE2 2.87Å; K180-H255 VanDerWaalsContact NZ-NE2 3.16Å; S210-H255 PolarHBondContact N-O 3.25Å; H255-K257 HydrophobicContact CB-CG 4.31Å
256	F	97.6	Very high	94.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.5	164.9	-168.5	-88.5	0	0	0	107.7	I179 V181 I192 A207 A209 I221 V232 F234 V258	I179-F256 HydrophobicContact CB-CB 4.44Å; I179-F256 PolarHBondContact N-O 2.95Å; I179-F256 PolarHBondContact O-N 2.89Å; V181-F256 HydrophobicContact CG2-CB 3.89Å; I192-F256 HydrophobicContact CD1-CB 3.86Å; I192-F256 HydrophobicContact CD1-CD1 4.03Å; I192-F256 HydrophobicContact CD1-CD2 4.17Å; I192-F256 HydrophobicContact CD1-CG 3.76Å; I192-F256 HydrophobicContact CG2-CD1 4.11Å; I192-F256 HydrophobicContact CG2-CE1 4.08Å; A207-F256 HydrophobicContact CB-CZ 4.35Å; A209-F256 HydrophobicContact CB-CD2 3.9Å; A209-F256 HydrophobicContact CB-CE2 4.31Å; I221-F256 HydrophobicContact CD1-CE2 3.82Å; I221-F256 HydrophobicContact CD1-CZ 4.43Å; I221-F256 HydrophobicContact CG1-CE2 4.04Å; I221-F256 HydrophobicContact CG2-CZ 4.28Å; V232-F256 HydrophobicContact CG1-CE1 4.06Å; V232-F256 HydrophobicContact CG1-CZ 3.97Å; F234-F256 HydrophobicContact CB-CE2 3.71Å; F234-F256 HydrophobicContact CB-CZ 3.77Å; F234-F256 HydrophobicContact CD1-CD2 4.08Å; F234-F256 AromaticContact CD1-CE2 3.9Å; F234-F256 HydrophobicContact CD1-CE2 3.9Å; F234-F256 HydrophobicContact CD2-CE2 4.3Å; F234-F256 HydrophobicContact CG-CD2 4.36Å; F234-F256 AromaticContact CG-CE2 3.71Å; F234-F256 HydrophobicContact CG-CE2 3.71Å; F234-F256 HydrophobicContact CG-CZ 4.31Å; F256-V258 HydrophobicContact CD1-CG2 4.06Å; F256-V258 HydrophobicContact CE1-CG2 3.59Å
257	K	98.1	Very high	94.4	Very high	72 Å²	72	44.9 Å²	44.9	31%	0.313	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.6	-174.3	-65.9	-174.5	165	-142.9	0	109.8	E176 I177 V178 A207 Q208 H255	E176-K257 WeakPolarHBondContact OE1-CD 3.04Å; E176-K257 IonicContact OE1-NZ 3.34Å; E176-K257 PolarHBondContact OE1-NZ 3.02Å; I177-K257 WeakPolarHBondContact O-CA 3.39Å; V178-K257 HydrophobicContact CG1-CG 4.37Å; V178-K257 HydrophobicContact CG2-CG 4.3Å; A207-K257 CarbonylContact C-O 3.5Å; A207-K257 WeakPolarHBondContact CA-O 3.48Å; Q208-K257 PolarHBondContact N-O 2.91Å; Q208-K257 PolarHBondContact O-N 2.89Å; H255-K257 HydrophobicContact CB-CG 4.31Å
258	V	98.6	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.3	169.6	179	0	0	0	0	108	I177 V194 I196 L205 D206 A207 V232 F256	I177-V258 HydrophobicContact CB-CB 4.25Å; I177-V258 PolarHBondContact N-O 3.05Å; I177-V258 PolarHBondContact O-N 2.95Å; V194-V258 HydrophobicContact CG2-CG2 4.11Å; I196-V258 HydrophobicContact CD1-CG1 4.37Å; L205-V258 HydrophobicContact CD1-CG1 3.79Å; D206-V258 WeakPolarHBondContact O-CA 3.29Å; A207-V258 HydrophobicContact CB-CG2 4.33Å; V232-V258 HydrophobicContact CB-CG2 4.39Å; V232-V258 HydrophobicContact CG1-CG2 4.15Å; V232-V258 HydrophobicContact CG2-CG1 3.95Å; V232-V258 HydrophobicContact CG2-CG2 4.32Å; F256-V258 HydrophobicContact CD1-CG2 4.06Å; F256-V258 HydrophobicContact CE1-CG2 3.59Å
259	T	98.6	Very high	95.3	Very high	18 Å²	18	41 Å²	41	11%	0.11	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.1	177.3	56.6	0	0	0	0	110	Y175 E176 L205 D206	Y175-T259 VanDerWaalsContact O-CA 3.31Å; Y175-T259 WeakPolarHBondContact O-CA 3.47Å; E176-T259 HydrophobicContact CB-CG2 4.34Å; E176-T259 HydrophobicContact CG-CG2 4.04Å; L205-T259 CarbonylContact C-O 3.57Å; L205-T259 WeakPolarHBondContact CA-O 3.27Å; D206-T259 PolarHBondContact N-O 2.91Å; D206-T259 PolarHBondContact O-N 3.48Å
260	Y	98.8	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	166.4	176.7	78.8	-80.7	0	0	0	110.8	V62 L168 Q174 Y175 I177 I196 E198 K204 V262	V62-Y260 WeakPolarHBondContact CG1-OH 3.41Å; L168-Y260 HydrophobicContact CD1-CE1 3.78Å; Q174-Y260 CarbonylContact C-O 3.56Å; Q174-Y260 WeakPolarHBondContact CA-O 3.14Å; Y175-Y260 HydrophobicContact CD2-CD2 4.2Å; Y175-Y260 HydrophobicContact CD2-CE1 4.23Å; Y175-Y260 AromaticContact CD2-CE2 3.78Å; Y175-Y260 HydrophobicContact CD2-CE2 3.78Å; Y175-Y260 AromaticContact CD2-CZ 3.81Å; Y175-Y260 HydrophobicContact CE2-CE2 4.35Å; Y175-Y260 HydrophobicContact CG-CE1 4.19Å; Y175-Y260 HydrophobicContact CG-CE2 4.49Å; Y175-Y260 PolarHBondContact N-O 3.4Å; Y175-Y260 PolarHBondContact O-N 2.62Å; I177-Y260 HydrophobicContact CD1-CE1 4.32Å; I196-Y260 HydrophobicContact CD1-CD1 3.9Å; I196-Y260 HydrophobicContact CD1-CE1 4.3Å; I196-Y260 HydrophobicContact CD1-CG 4.1Å; I196-Y260 HydrophobicContact CG2-CD2 4.22Å; I196-Y260 HydrophobicContact CG2-CE2 3.93Å; E198-Y260 HydrophobicContact CG-CE2 3.8Å; E198-Y260 WeakPolarHBondContact OE1-CE2 3.39Å; E198-Y260 PolarHBondContact OE1-OH 3.41Å; K204-Y260 WeakPolarHBondContact O-CA 3.49Å; K204-Y260 VanDerWaalsContact O-CB 3.26Å; K204-Y260 WeakPolarHBondContact O-CB 3.38Å; Y260-V262 HydrophobicContact CE2-CG1 4.32Å
261	D	98.6	Very high	95.8	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.8	163	-158.1	-1.1	0	0	0	108.5	R170 Y175 S203 K204 R264	R170-D261 IonicContact CZ-OD2 3.89Å; R170-D261 IonicContact NE-OD1 2.91Å; R170-D261 PolarHBondContact NE-OD1 3.07Å; R170-D261 IonicContact NE-OD2 3.09Å; R170-D261 PolarHBondContact NE-OD2 3.25Å; R170-D261 VanDerWaalsContact NE-OD2 3.11Å; R170-D261 IonicContact NH2-OD1 2.96Å; R170-D261 IonicContact NH2-OD2 2.65Å; R170-D261 PolarHBondContact NH2-OD2 3.48Å; Y175-D261 WeakPolarHBondContact CE2-OD1 3.37Å; S203-D261 PolarHBondContact N-O 3.35Å; S203-D261 VanDerWaalsContact OG-C 3.32Å; S203-D261 PolarHBondContact OG-O 3.03Å; S203-D261 VanDerWaalsContact OG-O 3.12Å; K204-D261 HydrophobicContact CD-CB 4.44Å; K204-D261 VanDerWaalsContact CE-CB 3.5Å; K204-D261 HydrophobicContact CG-CB 4.1Å; K204-D261 PolarHBondContact O-N 3.13Å; D261-R264 IonicContact OD1-CZ 2.86Å; D261-R264 IonicContact OD1-NE 2.65Å; D261-R264 PolarHBondContact OD1-NE 2.84Å; D261-R264 IonicContact OD1-NH2 2.9Å; D261-R264 PolarHBondContact OD1-NH2 2.96Å; D261-R264 IonicContact OD2-NE 3.69Å
262	V	98.3	Very high	95.9	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	163.6	178.5	-60.7	0	0	0	0	111.5	E198 Q200 G201 S203 Y260 R264	E198-V262 HydrophobicContact CB-CG1 3.72Å; E198-V262 HydrophobicContact CG-CG1 3.63Å; Q200-V262 HydrophobicContact CB-CB 4.41Å; G201-V262 CarbonylContact O-C 3.55Å; G201-V262 WeakPolarHBondContact O-CA 3.42Å; G201-V262 WeakPolarHBondContact O-CB 3.3Å; S203-V262 WeakPolarHBondContact CB-O 3.46Å; S203-V262 VanDerWaalsContact OG-C 3.26Å; S203-V262 PolarHBondContact OG-O 2.94Å; Y260-V262 HydrophobicContact CE2-CG1 4.32Å; V262-R264 HydrophobicContact CG2-CG 4.14Å
263	S	97.8	Very high	95.6	Very high	34 Å²	34	35.2 Å²	35.2	24%	0.238	18%	0.182	C	C	.	.			trans	-68.5	137.7	167	-58.5	0	0	0	0	109.7	Q200 G201	Q200-S263 WeakPolarHBondContact CB-O 3.44Å; Q200-S263 WeakPolarHBondContact O-CB 3.43Å; G201-S263 PolarHBondContact O-N 3.37Å
264	R	96.2	Very high	95.3	Very high	22 Å²	22	34.6 Å²	34.6	8%	0.083	18%	0.179	C	C	.	.			trans	-126.3	20.6	-174.9	-60.7	-174.4	-176.8	-84.6	-3.8	112.9	R170 Y175 D261 V262 K266 Q284 E508	R170-R264 VanDerWaalsContact NE-NH2 3.16Å; Y175-R264 PolarHBondContact OH-NH2 2.77Å; D261-R264 IonicContact OD1-CZ 2.86Å; D261-R264 IonicContact OD1-NE 2.65Å; D261-R264 PolarHBondContact OD1-NE 2.84Å; D261-R264 IonicContact OD1-NH2 2.9Å; D261-R264 PolarHBondContact OD1-NH2 2.96Å; D261-R264 IonicContact OD2-NE 3.69Å; V262-R264 HydrophobicContact CG2-CG 4.14Å; R264-K266 VanDerWaalsContact C-N 3.26Å; R264-K266 PolarHBondContact O-N 2.71Å; R264-Q284 HydrophobicContact CB-CG 4.39Å; R264-Q284 PolarHBondContact O-NE2 3.16Å; R264-E508 IonicContact CZ-OE1 3.96Å; R264-E508 IonicContact NH1-OE1 3.02Å; R264-E508 PolarHBondContact NH1-OE1 2.8Å; R264-E508 IonicContact NH2-OE1 2.8Å; R264-E508 PolarHBondContact NH2-OE1 2.97Å
265	D	93.3	Very high	95.2	Very high	129 Å²	129	35.9 Å²	35.9	69%	0.69	18%	0.184	S	C	*	.	S	Bend	trans	-66.4	-34.2	176	-54.4	-38.3	0	0	0	110.9	Q284	D265-Q284 PolarHBondContact OD1-NE2 3.38Å
266	K	91.6	Very high	95.3	Very high	146 Å²	146	33.4 Å²	33.4	64%	0.635	17%	0.173	S	C	*	.	S	Bend	trans	-84.5	118.2	167.8	-63.2	-178.6	-178.7	-176.8	0	109	R264 C268	R264-K266 VanDerWaalsContact C-N 3.26Å; R264-K266 PolarHBondContact O-N 2.71Å; K266-C268 VanDerWaalsContact C-N 3.31Å
267	I	91.4	Very high	95.4	Very high	74 Å²	74	33.4 Å²	33.4	38%	0.379	17%	0.173	S	C	.	.	S	Bend	trans	-67.3	-35.6	178.2	-63.9	173.8	0	0	0	111.2	F536 T538	I267-F536 HydrophobicContact CG2-CZ 4.48Å; I267-T538 HydrophobicContact CG2-CG2 4.22Å
268	C	93.2	Very high	95.4	Very high	41 Å²	41	30 Å²	30	28%	0.277	16%	0.158	S	C	.	.			trans	-90.5	107.1	-177.8	-73	0	0	0	0	111.8	K266 C540	K266-C268 VanDerWaalsContact C-N 3.31Å; C268-C540 VanDerWaalsContact CA-SG 3.52Å; C268-C540 HydrophobicContact CB-CB 3.6Å; C268-C540 WeakPolarHBondContact CB-SG 3.32Å; C268-C540 WeakPolarHBondContact SG-CA 3.39Å; C268-C540 WeakPolarHBondContact SG-CB 3.45Å; C268-C540 CovalentContact SG-SG 2.04Å; C268-C540 PolarHBondContact SG-SG 2.9Å
269	D	96.4	Very high	95.4	Very high	8 Å²	8	30 Å²	30	4%	0.043	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	70.5	170.2	-170.1	14.8	0	0	0	109.5	R65 Q200 H279 F280	R65-D269 IonicContact CZ-OD2 2.83Å; R65-D269 IonicContact NH1-OD2 2.9Å; R65-D269 PolarHBondContact NH1-OD2 2.76Å; R65-D269 IonicContact NH2-OD2 3.66Å; R65-D269 PolarHBondContact NH2-OD2 3.38Å; Q200-D269 HydrophobicContact CG-CB 3.89Å; Q200-D269 VanDerWaalsContact CG-OD1 3.29Å; Q200-D269 WeakPolarHBondContact CG-OD1 3.34Å; Q200-D269 VanDerWaalsContact CG-OD2 3.3Å; Q200-D269 WeakPolarHBondContact CG-OD2 3.4Å; Q200-D269 PolarHBondContact NE2-OD1 2.73Å; D269-H279 WeakPolarHBondContact O-CA 3.31Å; D269-F280 HydrophobicContact CB-CB 3.99Å; D269-F280 HydrophobicContact CB-CD2 4.42Å; D269-F280 PolarHBondContact O-N 3.21Å; D269-F280 WeakPolarHBondContact OD2-CD2 3.33Å
270	L	97.1	Very high	95.4	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.068	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	105.4	177.4	179.9	63.2	0	0	0	109.6	V272 F277 H279 F523 A525 C540 V542	L270-V272 HydrophobicContact CD1-CG2 4.49Å; L270-V272 HydrophobicContact CG-CG2 4.27Å; L270-F277 HydrophobicContact CD1-CD2 4.01Å; L270-H279 HydrophobicContact CD1-CB 3.78Å; L270-F523 HydrophobicContact CD1-CE1 4.27Å; L270-F523 HydrophobicContact CD2-CD1 4.32Å; L270-A525 HydrophobicContact CD2-CB 4.36Å; L270-C540 HydrophobicContact CB-CB 4.32Å; L270-C540 HydrophobicContact CD2-CB 4.31Å; L270-V542 HydrophobicContact CD2-CG2 3.85Å; L270-V542 HydrophobicContact CG-CG2 4.32Å
271	L	96.4	Very high	95.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.8	178.9	178	68.4	0	0	0	110.1	S64 P199 F277 A278 M547 L550 L558 V562	S64-L271 WeakPolarHBondContact OG-CD2 3.32Å; P199-L271 HydrophobicContact CG-CD1 4.17Å; P199-L271 HydrophobicContact CG-CD2 4.44Å; L271-F277 CarbonylContact O-C 3.55Å; L271-F277 WeakPolarHBondContact O-CA 3.43Å; L271-F277 VanDerWaalsContact O-CB 3.31Å; L271-F277 WeakPolarHBondContact O-CB 3.32Å; L271-A278 PolarHBondContact N-O 3.37Å; L271-A278 PolarHBondContact O-N 2.8Å; L271-M547 HydrophobicContact CD1-CE 4.23Å; L271-M547 HydrophobicContact CD1-SD 3.74Å; L271-L550 HydrophobicContact CD1-CD1 3.92Å; L271-L558 HydrophobicContact CD1-CD1 4.44Å; L271-L558 HydrophobicContact CD2-CD1 4.2Å; L271-V562 HydrophobicContact CD2-CG2 3.47Å; L271-V562 VanDerWaalsContact CD2-CG2 3.47Å; L271-V562 HydrophobicContact CG-CG2 4.04Å
272	V	94.8	Very high	95.3	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	127.3	-179.6	-177.7	0	0	0	0	110.5	L270 H276 F277 I515 Q520 F523 V542 M547	L270-V272 HydrophobicContact CD1-CG2 4.49Å; L270-V272 HydrophobicContact CG-CG2 4.27Å; V272-H276 WeakPolarHBondContact CA-O 3.39Å; V272-F277 HydrophobicContact CG2-CB 3.8Å; V272-I515 HydrophobicContact CG1-CD1 3.58Å; V272-I515 HydrophobicContact CG2-CD1 4.48Å; V272-Q520 HydrophobicContact CG1-CG 3.36Å; V272-F523 HydrophobicContact CG2-CD1 4.09Å; V272-V542 HydrophobicContact CB-CG1 4.32Å; V272-V542 HydrophobicContact CB-CG2 4.21Å; V272-V542 HydrophobicContact CG2-CG1 4.37Å; V272-V542 HydrophobicContact CG2-CG2 3.41Å; V272-V542 VanDerWaalsContact CG2-CG2 3.41Å; V272-M547 PolarHBondContact N-SD 2.91Å; V272-M547 VanDerWaalsContact N-SD 3.41Å
273	A	87.4	Confident	95.2	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	129.6	-179.2	0	0	0	0	0	110.5	N275 H276 E559 V562	A273-N275 PolarHBondContact O-N 3.45Å; A273-H276 PolarHBondContact N-O 3.06Å; A273-H276 PolarHBondContact O-N 3.5Å; A273-H276 VanDerWaalsContact O-O 3.11Å; A273-E559 HydrophobicContact CB-CG 4.08Å; A273-V562 HydrophobicContact CB-CB 4.21Å; A273-V562 HydrophobicContact CB-CG1 4.38Å; A273-V562 HydrophobicContact CB-CG2 4.16Å
274	N	89.1	Confident	94.9	Very high	82 Å²	82	31.2 Å²	31.2	44%	0.439	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.8	63.6	175.5	-169.8	34.2	0	0	0	114.4	H276 E559	N274-H276 PolarHBondContact O-N 3.46Å; N274-H276 PolarHBondContact O-ND1 2.81Å; N274-E559 HydrophobicContact CB-CB 4.05Å; N274-E559 HydrophobicContact CB-CG 4.02Å
275	N	92.9	Very high	94.7	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	17.4	-177.9	-66.9	-27.5	0	0	0	115.6	A273 R514 I515 D517	A273-N275 PolarHBondContact O-N 3.45Å; N275-R514 CarbonylContact O-C 3.52Å; N275-R514 WeakPolarHBondContact O-CA 3.35Å; N275-I515 PolarHBondContact O-N 2.89Å; N275-D517 PolarHBondContact ND2-OD1 3.33Å
276	H	96.3	Very high	94.8	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	157.2	172.7	-64.2	85.5	0	0	0	110.2	V272 A273 N274 G513 V562 W566	V272-H276 WeakPolarHBondContact CA-O 3.39Å; A273-H276 PolarHBondContact N-O 3.06Å; A273-H276 PolarHBondContact O-N 3.5Å; A273-H276 VanDerWaalsContact O-O 3.11Å; N274-H276 PolarHBondContact O-N 3.46Å; N274-H276 PolarHBondContact O-ND1 2.81Å; H276-G513 WeakPolarHBondContact CA-O 3.48Å; H276-V562 HydrophobicContact CB-CG1 3.97Å; H276-W566 AromaticContact CD2-CD2 3.93Å; H276-W566 AromaticContact CD2-CE3 3.76Å; H276-W566 AromaticContact NE2-CE3 3.77Å
277	F	97.9	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.3	174.8	75.3	-88.3	0	0	0	113.3	L270 L271 V272 H279 Y487 L495 V511 A512 G513 I515 F523	L270-F277 HydrophobicContact CD1-CD2 4.01Å; L271-F277 CarbonylContact O-C 3.55Å; L271-F277 WeakPolarHBondContact O-CA 3.43Å; L271-F277 VanDerWaalsContact O-CB 3.31Å; L271-F277 WeakPolarHBondContact O-CB 3.32Å; V272-F277 HydrophobicContact CG2-CB 3.8Å; F277-H279 HydrophobicContact CD2-CB 4.37Å; F277-H279 HydrophobicContact CE2-CB 4.39Å; F277-Y487 HydrophobicContact CD2-CE1 4.27Å; F277-Y487 AromaticContact CE2-CD1 3.98Å; F277-Y487 HydrophobicContact CE2-CD1 3.98Å; F277-Y487 AromaticContact CE2-CE1 3.34Å; F277-Y487 HydrophobicContact CE2-CE1 3.34Å; F277-Y487 AromaticContact CE2-CZ 3.69Å; F277-Y487 AromaticContact CZ-CD1 3.79Å; F277-Y487 HydrophobicContact CZ-CD1 3.79Å; F277-Y487 AromaticContact CZ-CE1 3.62Å; F277-Y487 HydrophobicContact CZ-CE1 3.62Å; F277-Y487 HydrophobicContact CZ-CG 4.27Å; F277-L495 HydrophobicContact CE1-CD1 4Å; F277-L495 HydrophobicContact CE2-CD1 4.11Å; F277-L495 HydrophobicContact CZ-CD1 3.27Å; F277-V511 HydrophobicContact CE2-CG1 4.47Å; F277-A512 VanDerWaalsContact O-CA 3.23Å; F277-A512 WeakPolarHBondContact O-CA 3.26Å; F277-A512 WeakPolarHBondContact O-CB 3.09Å; F277-G513 WeakPolarHBondContact CD1-O 3.24Å; F277-G513 VanDerWaalsContact CE1-CA 3.42Å; F277-G513 PolarHBondContact N-O 2.84Å; F277-G513 PolarHBondContact O-N 3.24Å; F277-G513 VanDerWaalsContact O-N 3.11Å; F277-I515 HydrophobicContact CB-CD1 4.24Å; F277-I515 HydrophobicContact CD1-CD1 4.09Å; F277-I515 HydrophobicContact CD1-CG1 3.72Å; F277-I515 HydrophobicContact CE1-CG1 4.4Å; F277-F523 HydrophobicContact CB-CE1 4.25Å; F277-F523 AromaticContact CD1-CE1 3.69Å; F277-F523 HydrophobicContact CD1-CE1 3.69Å; F277-F523 HydrophobicContact CD1-CE2 4.48Å; F277-F523 AromaticContact CD1-CZ 3.59Å; F277-F523 HydrophobicContact CD1-CZ 3.59Å; F277-F523 AromaticContact CD2-CE1 3.97Å; F277-F523 HydrophobicContact CD2-CE1 3.97Å; F277-F523 HydrophobicContact CD2-CZ 4.4Å; F277-F523 AromaticContact CE1-CE1 3.84Å; F277-F523 HydrophobicContact CE1-CE1 3.84Å; F277-F523 HydrophobicContact CE1-CE2 4.23Å; F277-F523 AromaticContact CE1-CZ 3.33Å; F277-F523 HydrophobicContact CE1-CZ 3.33Å; F277-F523 HydrophobicContact CE2-CE1 4.13Å; F277-F523 HydrophobicContact CE2-CZ 4.21Å; F277-F523 AromaticContact CG-CE1 3.71Å; F277-F523 HydrophobicContact CG-CE1 3.71Å; F277-F523 HydrophobicContact CG-CZ 4.09Å; F277-F523 HydrophobicContact CZ-CE1 4.01Å; F277-F523 AromaticContact CZ-CZ 3.62Å; F277-F523 HydrophobicContact CZ-CZ 3.62Å
278	A	98.4	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.7	167.3	0	0	0	0	0	108.7	L271 F280 V511 L565	L271-A278 PolarHBondContact N-O 3.37Å; L271-A278 PolarHBondContact O-N 2.8Å; A278-F280 HydrophobicContact CB-CE2 3.66Å; A278-F280 HydrophobicContact CB-CZ 3.77Å; A278-V511 CarbonylContact C-O 2.98Å; A278-L565 HydrophobicContact CB-CD1 4.28Å; A278-L565 HydrophobicContact CB-CD2 3.88Å
279	H	98.5	Very high	95.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.4	177.6	-171.1	-171.5	0	0	0	108.9	D269 L270 F277 Y487 V510 V511	D269-H279 WeakPolarHBondContact O-CA 3.31Å; L270-H279 HydrophobicContact CD1-CB 3.78Å; F277-H279 HydrophobicContact CD2-CB 4.37Å; F277-H279 HydrophobicContact CE2-CB 4.39Å; H279-Y487 WeakPolarHBondContact CB-OH 3.48Å; H279-Y487 AromaticContact ND1-CE1 3.95Å; H279-Y487 AromaticContact ND1-CZ 3.79Å; H279-Y487 PolarHBondContact ND1-OH 2.88Å; H279-V510 WeakPolarHBondContact O-CA 3.39Å; H279-V511 PolarHBondContact N-O 2.93Å; H279-V511 PolarHBondContact O-N 2.94Å
280	F	98.4	Very high	95.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.9	177.5	-50.8	-93.9	0	0	0	109.1	S64 R65 D269 A278 V510 L565	S64-F280 WeakPolarHBondContact O-CZ 3.47Å; S64-F280 WeakPolarHBondContact OG-CE2 3.38Å; S64-F280 VanDerWaalsContact OG-CZ 3.28Å; S64-F280 WeakPolarHBondContact OG-CZ 3.42Å; R65-F280 HydrophobicContact CB-CE1 4.15Å; R65-F280 HydrophobicContact CG-CE1 4.16Å; D269-F280 HydrophobicContact CB-CB 3.99Å; D269-F280 HydrophobicContact CB-CD2 4.42Å; D269-F280 PolarHBondContact O-N 3.21Å; D269-F280 WeakPolarHBondContact OD2-CD2 3.33Å; A278-F280 HydrophobicContact CB-CE2 3.66Å; A278-F280 HydrophobicContact CB-CZ 3.77Å; F280-V510 HydrophobicContact CD1-CB 4.46Å; F280-V510 HydrophobicContact CD1-CG1 3.94Å; F280-V510 HydrophobicContact CD1-CG2 3.78Å; F280-V510 HydrophobicContact CE1-CG1 3.82Å; F280-V510 HydrophobicContact CE1-CG2 4.22Å; F280-L565 HydrophobicContact CZ-CD1 4.04Å
281	F	98.1	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.3	-177.9	-179	-101.2	0	0	0	110.4	P283 L480 V483 L485 I509 V527 F536	F281-P283 HydrophobicContact CE1-CG 4.07Å; F281-P283 HydrophobicContact CE2-CG 4.18Å; F281-P283 HydrophobicContact CZ-CG 3.7Å; F281-L480 HydrophobicContact CE1-CD1 3.94Å; F281-L480 HydrophobicContact CZ-CD1 3.86Å; F281-V483 HydrophobicContact CD1-CG1 4.07Å; F281-V483 HydrophobicContact CE1-CG1 3.78Å; F281-L485 HydrophobicContact CB-CD2 4.08Å; F281-I509 HydrophobicContact CB-CB 4.3Å; F281-I509 HydrophobicContact CD1-CB 4.45Å; F281-I509 HydrophobicContact CD1-CD1 4.2Å; F281-I509 PolarHBondContact N-O 2.92Å; F281-I509 PolarHBondContact O-N 3.46Å; F281-V527 HydrophobicContact CD2-CG1 4.12Å; F281-V527 HydrophobicContact CD2-CG2 4.29Å; F281-V527 HydrophobicContact CE1-CG1 4.26Å; F281-V527 HydrophobicContact CE2-CB 4.32Å; F281-V527 HydrophobicContact CE2-CG1 3.72Å; F281-V527 HydrophobicContact CE2-CG2 4.46Å; F281-V527 HydrophobicContact CZ-CG1 3.79Å; F281-F536 AromaticContact CE2-CE1 3.7Å; F281-F536 HydrophobicContact CE2-CE1 3.7Å; F281-F536 AromaticContact CE2-CZ 3.92Å; F281-F536 HydrophobicContact CE2-CZ 3.92Å; F281-F536 HydrophobicContact CZ-CD1 4.31Å; F281-F536 AromaticContact CZ-CE1 3.51Å; F281-F536 HydrophobicContact CZ-CE1 3.51Å; F281-F536 AromaticContact CZ-CZ 3.88Å; F281-F536 HydrophobicContact CZ-CZ 3.88Å
282	A	97.5	Very high	95.5	Very high	7 Å²	7	32.6 Å²	32.6	6%	0.058	18%	0.178	C	C	.	.			trans	-157.4	74.4	176.7	0	0	0	0	0	110.7	Y503 E508	A282-Y503 VanDerWaalsContact C-OH 3.24Å; A282-Y503 WeakPolarHBondContact CA-OH 3.14Å; A282-Y503 HydrophobicContact CB-CE2 3.98Å; A282-Y503 WeakPolarHBondContact CB-OH 3.06Å; A282-E508 HydrophobicContact CB-CB 4.12Å; A282-E508 HydrophobicContact CB-CG 4.01Å
283	P	96	Very high	95.7	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.026	18%	0.177	C	C	.	.			trans	-59	146.6	177.8	25	-33.9	0	0	0	111.2	F281 L286 L480 Y503	F281-P283 HydrophobicContact CE1-CG 4.07Å; F281-P283 HydrophobicContact CE2-CG 4.18Å; F281-P283 HydrophobicContact CZ-CG 3.7Å; P283-L286 HydrophobicContact CB-CD1 3.95Å; P283-L286 HydrophobicContact CB-CG 4.29Å; P283-L286 HydrophobicContact CG-CD1 3.62Å; P283-L286 HydrophobicContact CG-CG 4.48Å; P283-L480 HydrophobicContact CG-CD1 3.98Å; P283-Y503 HydrophobicContact CG-CD1 4.31Å; P283-Y503 HydrophobicContact CG-CE1 3.79Å; P283-Y503 PolarHBondContact O-OH 3.44Å
284	Q	91.9	Very high	96.2	Very high	75 Å²	75	32.1 Å²	32.1	35%	0.35	17%	0.174	S	C	.	.			trans	-110.5	167.5	176	66.6	176.9	5.6	0	0	111.1	R264 D265 L286	R264-Q284 HydrophobicContact CB-CG 4.39Å; R264-Q284 PolarHBondContact O-NE2 3.16Å; D265-Q284 PolarHBondContact OD1-NE2 3.38Å; Q284-L286 PolarHBondContact O-N 3Å
285	N	92.2	Very high	96.7	Very high	152 Å²	152	28.5 Å²	28.5	81%	0.813	15%	0.154	S	C	*	.	S	Bend	trans	59.5	26.5	177.7	-52.4	-30.4	0	0	0	114.5
286	L	94.4	Very high	96.9	Very high	55 Å²	55	26.8 Å²	26.8	29%	0.288	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-82.8	147.4	168	-61.1	-177.5	0	0	0	110.1	P283 Q284 L479 L480	P283-L286 HydrophobicContact CB-CD1 3.95Å; P283-L286 HydrophobicContact CB-CG 4.29Å; P283-L286 HydrophobicContact CG-CD1 3.62Å; P283-L286 HydrophobicContact CG-CG 4.48Å; Q284-L286 PolarHBondContact O-N 3Å; L286-L479 HydrophobicContact CB-CB 4.35Å; L286-L479 HydrophobicContact CB-CD1 4.44Å; L286-L479 HydrophobicContact CB-CD2 4.36Å; L286-L479 HydrophobicContact CD1-CB 4.13Å; L286-L480 HydrophobicContact CD1-CD1 3.9Å; L286-L480 HydrophobicContact CD1-CD2 4.11Å; L286-L480 HydrophobicContact CD1-CG 3.8Å
287	T	94.9	Very high	97.1	Very high	121 Å²	121	26.7 Å²	26.7	74%	0.742	15%	0.145	S	C	*	.	P	Polyproline II helix	trans	-67.6	137.4	171.6	-52.5	0	0	0	0	109.6	M289	T287-M289 PolarHBondContact O-N 3.22Å
288	N	95.4	Very high	97.1	Very high	70 Å²	70	26.8 Å²	26.8	37%	0.374	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-64	130.4	172.7	-68.9	-8.7	0	0	0	109.5	L479	N288-L479 WeakPolarHBondContact OD1-CD2 3.5Å
289	M	97	Very high	97.1	Very high	7 Å²	7	27 Å²	27	3%	0.034	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-73.8	141.3	171.5	-61.1	-179.4	65.7	0	0	109.7	T287 N393 A395 P478 V481 E532	T287-M289 PolarHBondContact O-N 3.22Å; M289-N393 WeakPolarHBondContact CE-O 3.37Å; M289-A395 HydrophobicContact CB-CB 4.49Å; M289-A395 HydrophobicContact CE-CB 4.3Å; M289-P478 HydrophobicContact CB-CG 4.39Å; M289-P478 PolarHBondContact N-O 3.37Å; M289-V481 HydrophobicContact CE-CG1 3.89Å; M289-V481 HydrophobicContact CE-CG2 4.4Å; M289-V481 HydrophobicContact SD-CG1 3.96Å; M289-E532 HydrophobicContact CB-CB 4.46Å; M289-E532 HydrophobicContact CE-CB 4.17Å; M289-E532 HydrophobicContact CG-CB 4.18Å
290	N	97.7	Very high	97	Very high	48 Å²	48	27.1 Å²	27.1	26%	0.257	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-61.1	148.4	161.4	-65.3	-45.7	0	0	0	109.6	G325 H394 A395 E532	N290-G325 WeakPolarHBondContact OD1-CA 3.19Å; N290-H394 CarbonylContact O-C 3.59Å; N290-H394 VanDerWaalsContact O-CA 3.31Å; N290-H394 WeakPolarHBondContact O-CA 3.49Å; N290-H394 WeakPolarHBondContact O-CB 3.26Å; N290-A395 PolarHBondContact O-N 3.01Å; N290-E532 PolarHBondContact N-OE2 2.83Å; N290-E532 PolarHBondContact ND2-OE1 2.99Å; N290-E532 PolarHBondContact ND2-OE2 2.9Å
291	K	97.6	Very high	97	Very high	10 Å²	10	28.4 Å²	28.4	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.1	-177.4	57.4	178.2	178.5	-61.7	0	112.7	D326 Y327 A395 I397 Y472 A476 P478	K291-D326 HydrophobicContact CG-CB 4.39Å; K291-D326 WeakPolarHBondContact CG-OD1 3.08Å; K291-D326 PolarHBondContact N-OD1 3.34Å; K291-D326 IonicContact NZ-OD1 3.25Å; K291-D326 PolarHBondContact NZ-OD1 3.14Å; K291-D326 IonicContact NZ-OD2 3.41Å; K291-D326 PolarHBondContact NZ-OD2 3.15Å; K291-D326 WeakPolarHBondContact O-CA 3.48Å; K291-Y327 PolarHBondContact O-N 3.14Å; K291-A395 WeakPolarHBondContact CA-O 3.42Å; K291-A395 HydrophobicContact CB-CB 4.45Å; K291-A395 WeakPolarHBondContact CB-O 3.32Å; K291-I397 HydrophobicContact CD-CD1 4.23Å; K291-Y472 WeakPolarHBondContact CE-OH 3.45Å; K291-A476 WeakPolarHBondContact CD-O 3.3Å; K291-A476 WeakPolarHBondContact CE-O 3.41Å; K291-A476 PolarHBondContact NZ-O 2.99Å; K291-P478 HydrophobicContact CB-CG 4.12Å
292	N	98.4	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.6	169	-55.2	-30.9	0	0	0	107.6	Y327 L344 L381 L391 H394 A395 S396 I397	N292-Y327 CarbonylContact C-O 3.49Å; N292-Y327 VanDerWaalsContact CA-O 3.31Å; N292-Y327 WeakPolarHBondContact CA-O 3.3Å; N292-L344 HydrophobicContact CB-CD1 3.82Å; N292-L344 HydrophobicContact CB-CD2 4.26Å; N292-L381 HydrophobicContact CB-CD2 3.89Å; N292-L391 PolarHBondContact ND2-O 2.87Å; N292-H394 PolarHBondContact OD1-ND1 3.09Å; N292-A395 PolarHBondContact N-O 3.46Å; N292-A395 VanDerWaalsContact N-O 3.09Å; N292-S396 PolarHBondContact ND2-OG 3.18Å; N292-S396 CarbonylContact O-C 3.5Å; N292-S396 VanDerWaalsContact O-CA 3.3Å; N292-S396 WeakPolarHBondContact O-CA 3.46Å; N292-I397 PolarHBondContact O-N 3.43Å
293	V	98.4	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.6	-175.2	62.1	0	0	0	0	112.1	F295 M322 Y327 F328 D329 I397 I399	V293-F295 HydrophobicContact CB-CE2 4.39Å; V293-F295 HydrophobicContact CG1-CE2 3.86Å; V293-F295 HydrophobicContact CG1-CZ 4.3Å; V293-F295 HydrophobicContact CG2-CD2 4.3Å; V293-F295 HydrophobicContact CG2-CE1 4.26Å; V293-F295 HydrophobicContact CG2-CE2 3.67Å; V293-F295 HydrophobicContact CG2-CZ 3.65Å; V293-M322 HydrophobicContact CG1-CE 3.99Å; V293-Y327 PolarHBondContact N-O 3.3Å; V293-F328 HydrophobicContact CG1-CB 3.77Å; V293-F328 WeakPolarHBondContact O-CA 3.28Å; V293-F328 WeakPolarHBondContact O-CB 3.45Å; V293-D329 PolarHBondContact O-N 3.24Å; V293-I397 WeakPolarHBondContact CA-O 3.32Å; V293-I397 HydrophobicContact CG2-CB 4.42Å; V293-I399 HydrophobicContact CG2-CD1 4.35Å
294	V	98.9	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.4	172.1	177.6	0	0	0	0	109.5	V296 D329 V331 L344 I380 L381 I397 L398 I399	V294-V296 HydrophobicContact CG1-CG2 4.27Å; V294-D329 WeakPolarHBondContact CA-O 3.32Å; V294-D329 HydrophobicContact CG2-CB 4.33Å; V294-V331 HydrophobicContact CG1-CG2 3.93Å; V294-L344 HydrophobicContact CG2-CD2 3.98Å; V294-I380 HydrophobicContact CG2-CB 4.37Å; V294-I380 HydrophobicContact CG2-CG2 3.84Å; V294-L381 HydrophobicContact CB-CD1 4.41Å; V294-L381 HydrophobicContact CB-CG 4.25Å; V294-L381 HydrophobicContact CG2-CD1 4.41Å; V294-L381 HydrophobicContact CG2-CD2 3.83Å; V294-L381 HydrophobicContact CG2-CG 3.74Å; V294-I397 PolarHBondContact N-O 2.87Å; V294-I397 VanDerWaalsContact N-O 3.12Å; V294-L398 HydrophobicContact CB-CD1 3.86Å; V294-L398 HydrophobicContact CG1-CD1 4.06Å; V294-I399 PolarHBondContact O-N 2.83Å
295	F	98.8	Very high	97.2	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.022	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.2	174.6	-58.2	-92.4	0	0	0	109.6	V293 I297 L315 I318 M322 D329 L330 V331 I399 Y472	V293-F295 HydrophobicContact CB-CE2 4.39Å; V293-F295 HydrophobicContact CG1-CE2 3.86Å; V293-F295 HydrophobicContact CG1-CZ 4.3Å; V293-F295 HydrophobicContact CG2-CD2 4.3Å; V293-F295 HydrophobicContact CG2-CE1 4.26Å; V293-F295 HydrophobicContact CG2-CE2 3.67Å; V293-F295 HydrophobicContact CG2-CZ 3.65Å; F295-I297 HydrophobicContact CB-CD1 4.12Å; F295-I297 HydrophobicContact CB-CG1 4.18Å; F295-L315 HydrophobicContact CB-CD2 4.35Å; F295-L315 HydrophobicContact CD1-CD2 4.07Å; F295-L315 HydrophobicContact CG-CD2 4.15Å; F295-I318 HydrophobicContact CE1-CG2 4.07Å; F295-I318 HydrophobicContact CE2-CG2 4.42Å; F295-I318 HydrophobicContact CZ-CG2 3.6Å; F295-M322 HydrophobicContact CE2-CE 3.49Å; F295-M322 VanDerWaalsContact CE2-CE 3.49Å; F295-M322 HydrophobicContact CZ-CE 4Å; F295-D329 PolarHBondContact N-O 2.82Å; F295-L330 HydrophobicContact CB-CD2 3.9Å; F295-L330 HydrophobicContact CD2-CD2 3.86Å; F295-L330 HydrophobicContact CG-CD2 4.21Å; F295-V331 PolarHBondContact O-N 3.11Å; F295-I399 CarbonylContact C-O 3.58Å; F295-I399 WeakPolarHBondContact CA-O 3.33Å; F295-I399 HydrophobicContact CD1-CB 4.1Å; F295-I399 HydrophobicContact CD1-CD1 4.36Å; F295-I399 HydrophobicContact CD1-CG2 4.33Å; F295-I399 HydrophobicContact CE1-CB 4.42Å; F295-I399 HydrophobicContact CE1-CD1 3.82Å; F295-Y472 HydrophobicContact CE1-CD2 4.25Å; F295-Y472 HydrophobicContact CE1-CE2 4.23Å; F295-Y472 HydrophobicContact CZ-CD2 4.36Å; F295-Y472 AromaticContact CZ-CE2 3.89Å; F295-Y472 HydrophobicContact CZ-CE2 3.89Å
296	V	98.9	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106	178.8	-175.7	0	0	0	0	107.9	V294 V331 F333 G373 L398 I399 M400 L401	V294-V296 HydrophobicContact CG1-CG2 4.27Å; V296-V331 CarbonylContact C-O 3.59Å; V296-V331 VanDerWaalsContact CA-O 3.32Å; V296-V331 WeakPolarHBondContact CA-O 3.43Å; V296-V331 HydrophobicContact CG1-CG1 4.42Å; V296-V331 HydrophobicContact CG2-CB 4.24Å; V296-F333 HydrophobicContact CG1-CD1 3.58Å; V296-F333 HydrophobicContact CG1-CE1 3.68Å; V296-G373 WeakPolarHBondContact CG1-O 3.42Å; V296-L398 HydrophobicContact CG2-CD1 3.67Å; V296-I399 PolarHBondContact N-O 2.92Å; V296-M400 HydrophobicContact CB-CB 4.18Å; V296-M400 HydrophobicContact CB-CG 4.05Å; V296-M400 HydrophobicContact CG1-CG 4.08Å; V296-M400 CarbonylContact O-C 3.6Å; V296-M400 VanDerWaalsContact O-CA 3.24Å; V296-M400 WeakPolarHBondContact O-CA 3.46Å; V296-L401 PolarHBondContact O-N 3.03Å
297	I	98.8	Very high	97.5	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.6	-165.2	-53.5	-62.1	0	0	0	110.8	F295 T311 L315 V331 L332 F333 L401	F295-I297 HydrophobicContact CB-CD1 4.12Å; F295-I297 HydrophobicContact CB-CG1 4.18Å; I297-T311 HydrophobicContact CG2-CG2 3.75Å; I297-L315 HydrophobicContact CD1-CD1 4.28Å; I297-L315 HydrophobicContact CD1-CD2 4.26Å; I297-L315 HydrophobicContact CG1-CD1 4.04Å; I297-V331 PolarHBondContact N-O 2.72Å; I297-L332 HydrophobicContact CB-CD2 3.95Å; I297-L332 WeakPolarHBondContact O-CA 3.27Å; I297-F333 VanDerWaalsContact C-CD1 3.47Å; I297-F333 WeakPolarHBondContact O-CD1 3.34Å; I297-F333 PolarHBondContact O-N 2.94Å; I297-L401 HydrophobicContact CD1-CB 3.94Å; I297-L401 HydrophobicContact CD1-CD2 4.41Å
298	D	98.6	Very high	97.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.5	173.5	-163.8	-28.3	0	0	0	110.7	S300 M303 F333 T368 L401 T402	D298-S300 WeakPolarHBondContact OD1-CB 3.42Å; D298-S300 PolarHBondContact OD1-N 3.42Å; D298-S300 PolarHBondContact OD1-OG 3.11Å; D298-M303 HydrophobicContact CB-CG 4.43Å; D298-F333 HydrophobicContact CB-CE1 3.97Å; D298-F333 HydrophobicContact CB-CE2 3.78Å; D298-F333 HydrophobicContact CB-CZ 3.45Å; D298-F333 VanDerWaalsContact CB-CZ 3.45Å; D298-T368 WeakPolarHBondContact OD2-CG2 3.38Å; D298-L401 VanDerWaalsContact CB-O 3.23Å; D298-L401 WeakPolarHBondContact CB-O 3.14Å; D298-L401 PolarHBondContact N-O 3.43Å; D298-T402 WeakPolarHBondContact OD2-CB 3.33Å; D298-T402 PolarHBondContact OD2-OG1 3.35Å
299	I	98.4	Very high	97.7	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.172	C	C	.	.			trans	-125	23.8	176	59.7	160.3	0	0	0	111.6	L332 F333 F362 L364 D365	I299-L332 HydrophobicContact CD1-CB 3.83Å; I299-L332 HydrophobicContact CD1-CD1 4.42Å; I299-L332 HydrophobicContact CG1-CB 4.16Å; I299-L332 HydrophobicContact CG2-CB 4.14Å; I299-L332 HydrophobicContact CG2-CD1 4.4Å; I299-L332 HydrophobicContact CG2-CD2 4.17Å; I299-L332 HydrophobicContact CG2-CG 4.47Å; I299-F333 VanDerWaalsContact CG1-C 3.48Å; I299-F333 VanDerWaalsContact CG1-O 3.31Å; I299-F333 WeakPolarHBondContact CG1-O 3.33Å; I299-F333 PolarHBondContact N-O 3.13Å; I299-F362 HydrophobicContact CG2-CD2 3.76Å; I299-F362 HydrophobicContact CG2-CE2 3.54Å; I299-F362 HydrophobicContact CG2-CZ 4.29Å; I299-L364 HydrophobicContact CB-CD2 4.31Å; I299-L364 CarbonylContact O-C 3.43Å; I299-L364 WeakPolarHBondContact O-CA 3.44Å; I299-L364 VanDerWaalsContact O-CB 3.29Å; I299-L364 WeakPolarHBondContact O-CB 3.47Å; I299-L364 WeakPolarHBondContact O-CD2 3.35Å; I299-D365 HydrophobicContact CD1-CB 3.8Å; I299-D365 HydrophobicContact CG1-CB 4.3Å; I299-D365 PolarHBondContact O-N 3.5Å
300	S	97.7	Very high	97.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	17%	0.173	C	C	.	.	S	Bend	trans	-59.3	166.6	174.2	61.8	0	0	0	0	112.9	D298 S302 M303 E366 A367 T368 D403	D298-S300 WeakPolarHBondContact OD1-CB 3.42Å; D298-S300 PolarHBondContact OD1-N 3.42Å; D298-S300 PolarHBondContact OD1-OG 3.11Å; S300-S302 PolarHBondContact O-N 2.89Å; S300-S302 PolarHBondContact OG-OG 3Å; S300-M303 WeakPolarHBondContact O-CB 3.26Å; S300-M303 PolarHBondContact O-N 3.01Å; S300-E366 CarbonylContact C-O 3.56Å; S300-E366 WeakPolarHBondContact CA-O 3.47Å; S300-E366 WeakPolarHBondContact CB-O 3.46Å; S300-A367 VanDerWaalsContact CB-O 3.23Å; S300-A367 WeakPolarHBondContact CB-O 3.3Å; S300-T368 VanDerWaalsContact CB-OG1 3.3Å; S300-T368 WeakPolarHBondContact CB-OG1 3.24Å; S300-D403 PolarHBondContact OG-OD1 2.99Å
301	G	96.8	Very high	97.8	Very high	30 Å²	30	30.7 Å²	30.7	31%	0.309	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-59.7	-29.6	-179.3	0	0	0	0	0	113.8	M303 R304 E366	G301-M303 VanDerWaalsContact C-N 3.27Å; G301-M303 PolarHBondContact O-N 3.39Å; G301-R304 VanDerWaalsContact O-CB 3.25Å; G301-R304 WeakPolarHBondContact O-CB 3.45Å; G301-R304 PolarHBondContact O-N 3.22Å; G301-E366 PolarHBondContact N-O 2.83Å
302	S	96.7	Very high	97.8	Very high	60 Å²	60	32.1 Å²	32.1	42%	0.42	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-67.1	-25.3	178.8	43.1	0	0	0	0	113.4	S300 R304 K307 D403	S300-S302 PolarHBondContact O-N 2.89Å; S300-S302 PolarHBondContact OG-OG 3Å; S302-R304 PolarHBondContact O-N 3.08Å; S302-R304 VanDerWaalsContact O-N 3.15Å; S302-K307 WeakPolarHBondContact O-CE 3.42Å; S302-K307 PolarHBondContact O-NZ 3.42Å; S302-D403 WeakPolarHBondContact CB-OD2 3.46Å; S302-D403 PolarHBondContact OG-OD1 3.15Å; S302-D403 PolarHBondContact OG-OD2 3.34Å
303	M	97.5	Very high	97.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-69.9	-7.6	176.8	-71.5	-70.9	-79.4	0	0	113.5	D298 S300 G301 K307 V308 L364 L401 D403 F435	D298-M303 HydrophobicContact CB-CG 4.43Å; S300-M303 WeakPolarHBondContact O-CB 3.26Å; S300-M303 PolarHBondContact O-N 3.01Å; G301-M303 VanDerWaalsContact C-N 3.27Å; G301-M303 PolarHBondContact O-N 3.39Å; M303-K307 HydrophobicContact CE-CB 4.32Å; M303-K307 HydrophobicContact SD-CB 3.88Å; M303-K307 HydrophobicContact SD-CD 4.24Å; M303-V308 HydrophobicContact CB-CB 4.35Å; M303-V308 VanDerWaalsContact O-CB 3.26Å; M303-V308 WeakPolarHBondContact O-CB 3.13Å; M303-V308 VanDerWaalsContact O-CG1 3.3Å; M303-V308 WeakPolarHBondContact O-CG1 3.46Å; M303-V308 PolarHBondContact O-N 2.92Å; M303-L364 HydrophobicContact CB-CD2 4Å; M303-L401 HydrophobicContact CE-CD2 4.49Å; M303-D403 HydrophobicContact CG-CB 4.46Å; M303-D403 PolarHBondContact N-OD2 3.16Å; M303-D403 HydrophobicContact SD-CB 3.58Å; M303-D403 VanDerWaalsContact SD-CB 3.58Å; M303-F435 HydrophobicContact CE-CD1 4.49Å
304	R	97.3	Very high	97.8	Very high	191 Å²	191	35.7 Å²	35.7	72%	0.721	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	137.8	-178.9	-172.1	178.6	-66.5	-102	1.2	112.5	G301 S302 L364	G301-R304 VanDerWaalsContact O-CB 3.25Å; G301-R304 WeakPolarHBondContact O-CB 3.45Å; G301-R304 PolarHBondContact O-N 3.22Å; S302-R304 PolarHBondContact O-N 3.08Å; S302-R304 VanDerWaalsContact O-N 3.15Å; R304-L364 HydrophobicContact CB-CD1 3.58Å; R304-L364 HydrophobicContact CG-CD1 4.16Å
305	G	96.2	Very high	97.8	Very high	45 Å²	45	36.1 Å²	36.1	46%	0.464	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-126.9	177.8	0	0	0	0	0	112.2	V308 K309	G305-V308 WeakPolarHBondContact O-CG1 3.33Å; G305-K309 PolarHBondContact O-N 3Å
306	Q	95.8	Very high	97.8	Very high	120 Å²	120	37.9 Å²	37.9	56%	0.561	20%	0.197	S	C	*	.	H	α-helix	trans	-71.4	-35.3	-171.8	-65	-69.7	34.9	0	0	113.2	K309 Q310	Q306-K309 PolarHBondContact O-N 3.42Å; Q306-Q310 WeakPolarHBondContact O-CB 3.42Å; Q306-Q310 VanDerWaalsContact O-CG 3.31Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.93Å; Q306-Q310 PolarHBondContact O-OE1 3.12Å
307	K	97.1	Very high	97.7	Very high	21 Å²	21	42.2 Å²	42.2	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-54.4	-178.5	-74.6	-172.5	-87.3	-165	0	112.6	S302 M303 K309 Q310 T311 D403 F435 E460	S302-K307 WeakPolarHBondContact O-CE 3.42Å; S302-K307 PolarHBondContact O-NZ 3.42Å; M303-K307 HydrophobicContact CE-CB 4.32Å; M303-K307 HydrophobicContact SD-CB 3.88Å; M303-K307 HydrophobicContact SD-CD 4.24Å; K307-K309 VanDerWaalsContact C-N 3.32Å; K307-K309 PolarHBondContact O-N 2.67Å; K307-Q310 PolarHBondContact O-N 2.81Å; K307-T311 VanDerWaalsContact O-CB 3.26Å; K307-T311 WeakPolarHBondContact O-CB 3.36Å; K307-T311 PolarHBondContact O-N 2.79Å; K307-T311 PolarHBondContact O-OG1 2.7Å; K307-D403 HydrophobicContact CD-CB 3.92Å; K307-D403 WeakPolarHBondContact CE-OD2 3.11Å; K307-D403 IonicContact NZ-OD2 2.94Å; K307-D403 PolarHBondContact NZ-OD2 3.35Å; K307-F435 HydrophobicContact CB-CD1 4.35Å; K307-F435 HydrophobicContact CB-CE1 4.04Å; K307-F435 HydrophobicContact CB-CZ 4.23Å; K307-F435 HydrophobicContact CD-CD2 4.2Å; K307-F435 HydrophobicContact CD-CE2 4.47Å; K307-F435 HydrophobicContact CD-CG 4.26Å; K307-F435 HydrophobicContact CG-CD1 4.3Å; K307-F435 HydrophobicContact CG-CD2 4.13Å; K307-F435 HydrophobicContact CG-CE1 4.09Å; K307-F435 HydrophobicContact CG-CE2 3.91Å; K307-F435 HydrophobicContact CG-CG 4.33Å; K307-F435 HydrophobicContact CG-CZ 3.89Å; K307-E460 HydrophobicContact CD-CG 4.07Å; K307-E460 WeakPolarHBondContact CD-OE1 3.3Å; K307-E460 WeakPolarHBondContact CE-OE1 3.35Å; K307-E460 HydrophobicContact CG-CG 4.25Å; K307-E460 IonicContact NZ-OE1 2.72Å; K307-E460 PolarHBondContact NZ-OE1 3.24Å
308	V	97.9	Very high	97.6	Very high	22 Å²	22	42.5 Å²	42.5	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-37.2	176.2	67.1	0	0	0	0	112.1	M303 G305 T311 K312 F362 L364	M303-V308 HydrophobicContact CB-CB 4.35Å; M303-V308 VanDerWaalsContact O-CB 3.26Å; M303-V308 WeakPolarHBondContact O-CB 3.13Å; M303-V308 VanDerWaalsContact O-CG1 3.3Å; M303-V308 WeakPolarHBondContact O-CG1 3.46Å; M303-V308 PolarHBondContact O-N 2.92Å; G305-V308 WeakPolarHBondContact O-CG1 3.33Å; V308-T311 PolarHBondContact O-N 3.43Å; V308-K312 HydrophobicContact CG2-CD 4.35Å; V308-K312 HydrophobicContact CG2-CG 4.42Å; V308-K312 WeakPolarHBondContact O-CB 3.48Å; V308-K312 WeakPolarHBondContact O-CG 3.42Å; V308-K312 PolarHBondContact O-N 3.35Å; V308-F362 HydrophobicContact CG2-CE2 3.76Å; V308-F362 HydrophobicContact CG2-CZ 4.2Å; V308-L364 HydrophobicContact CB-CD2 4.19Å; V308-L364 HydrophobicContact CG2-CD2 3.96Å
309	K	98.1	Very high	97.6	Very high	109 Å²	109	42.5 Å²	42.5	47%	0.474	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-51.5	177.8	-177.5	-176	173	-174.6	0	111.3	G305 Q306 K307 T311 K312 E313	G305-K309 PolarHBondContact O-N 3Å; Q306-K309 PolarHBondContact O-N 3.42Å; K307-K309 VanDerWaalsContact C-N 3.32Å; K307-K309 PolarHBondContact O-N 2.67Å; K309-T311 VanDerWaalsContact C-N 3.34Å; K309-T311 PolarHBondContact O-N 3.4Å; K309-K312 PolarHBondContact O-N 3.21Å; K309-E313 WeakPolarHBondContact CE-OE1 3.28Å; K309-E313 WeakPolarHBondContact O-CG 3.41Å; K309-E313 PolarHBondContact O-N 2.56Å
310	Q	97.7	Very high	97.4	Very high	15 Å²	15	44 Å²	44	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-36.3	-179.7	-69.5	173	-46.9	0	0	111.8	Q306 K307 E313 A314 D461 R462 A464 T465	Q306-Q310 WeakPolarHBondContact O-CB 3.42Å; Q306-Q310 VanDerWaalsContact O-CG 3.31Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.93Å; Q306-Q310 PolarHBondContact O-OE1 3.12Å; K307-Q310 PolarHBondContact O-N 2.81Å; Q310-E313 PolarHBondContact O-N 3.13Å; Q310-A314 WeakPolarHBondContact O-CB 3.33Å; Q310-A314 PolarHBondContact O-N 3.26Å; Q310-D461 PolarHBondContact NE2-O 2.88Å; Q310-R462 PolarHBondContact NE2-O 3.31Å; Q310-A464 HydrophobicContact CB-CB 4.37Å; Q310-T465 WeakPolarHBondContact CA-OG1 3.35Å; Q310-T465 WeakPolarHBondContact CB-OG1 3.31Å; Q310-T465 WeakPolarHBondContact CG-OG1 3.44Å; Q310-T465 PolarHBondContact O-OG1 3.48Å
311	T	98.3	Very high	97.2	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-50.1	172.3	-60.9	0	0	0	0	111.3	I297 K307 V308 K309 E313 A314 L315 L401	I297-T311 HydrophobicContact CG2-CG2 3.75Å; K307-T311 VanDerWaalsContact O-CB 3.26Å; K307-T311 WeakPolarHBondContact O-CB 3.36Å; K307-T311 PolarHBondContact O-N 2.79Å; K307-T311 PolarHBondContact O-OG1 2.7Å; V308-T311 PolarHBondContact O-N 3.43Å; K309-T311 VanDerWaalsContact C-N 3.34Å; K309-T311 PolarHBondContact O-N 3.4Å; T311-E313 PolarHBondContact O-N 2.67Å; T311-A314 PolarHBondContact O-N 3.24Å; T311-L315 HydrophobicContact CG2-CD1 4.03Å; T311-L315 WeakPolarHBondContact O-CG 3.1Å; T311-L315 PolarHBondContact O-N 2.9Å; T311-L401 HydrophobicContact CG2-CD2 3.42Å; T311-L401 VanDerWaalsContact CG2-CD2 3.42Å; T311-L401 WeakPolarHBondContact OG1-CD2 3.4Å
312	K	98.5	Very high	97.1	Very high	40 Å²	40	48.1 Å²	48.1	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-47.1	175.9	-74.9	-177.8	175.1	-168	0	111.3	V308 K309 A314 L315 L316 V359 R360 F362	V308-K312 HydrophobicContact CG2-CD 4.35Å; V308-K312 HydrophobicContact CG2-CG 4.42Å; V308-K312 WeakPolarHBondContact O-CB 3.48Å; V308-K312 WeakPolarHBondContact O-CG 3.42Å; V308-K312 PolarHBondContact O-N 3.35Å; K309-K312 PolarHBondContact O-N 3.21Å; K312-A314 VanDerWaalsContact C-N 3.31Å; K312-A314 PolarHBondContact O-N 2.97Å; K312-L315 PolarHBondContact O-N 2.69Å; K312-L316 WeakPolarHBondContact O-CB 3.39Å; K312-L316 WeakPolarHBondContact O-CG 3.09Å; K312-L316 PolarHBondContact O-N 2.91Å; K312-V359 HydrophobicContact CB-CG1 4.02Å; K312-V359 VanDerWaalsContact CD-O 3.25Å; K312-V359 WeakPolarHBondContact CD-O 3.42Å; K312-V359 WeakPolarHBondContact CE-O 3.39Å; K312-V359 HydrophobicContact CG-CG1 3.98Å; K312-V359 PolarHBondContact NZ-O 2.96Å; K312-R360 PolarHBondContact NZ-O 2.78Å; K312-F362 HydrophobicContact CD-CE1 4.27Å; K312-F362 HydrophobicContact CD-CE2 4.47Å; K312-F362 HydrophobicContact CD-CZ 4.03Å; K312-F362 HydrophobicContact CG-CE1 3.81Å; K312-F362 HydrophobicContact CG-CE2 4.39Å; K312-F362 HydrophobicContact CG-CZ 3.55Å; K312-F362 PolarHBondContact NZ-O 3.07Å
313	E	98.2	Very high	97.1	Very high	74 Å²	74	50.4 Å²	50.4	35%	0.346	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-42	177.2	-75.2	176.2	-173.2	0	0	112.4	K309 Q310 T311 K317 T465	K309-E313 WeakPolarHBondContact CE-OE1 3.28Å; K309-E313 WeakPolarHBondContact O-CG 3.41Å; K309-E313 PolarHBondContact O-N 2.56Å; Q310-E313 PolarHBondContact O-N 3.13Å; T311-E313 PolarHBondContact O-N 2.67Å; E313-K317 WeakPolarHBondContact O-CG 3.45Å; E313-K317 PolarHBondContact O-N 2.82Å; E313-T465 HydrophobicContact CB-CG2 3.81Å; E313-T465 PolarHBondContact OE2-OG1 3.34Å
314	A	98.1	Very high	97	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	28%	0.28	C	S	.	.	H	α-helix	trans	-65.8	-47.7	177	0	0	0	0	0	111.5	Q310 T311 K312 L316 K317 I318 T465 L468	Q310-A314 WeakPolarHBondContact O-CB 3.33Å; Q310-A314 PolarHBondContact O-N 3.26Å; T311-A314 PolarHBondContact O-N 3.24Å; K312-A314 VanDerWaalsContact C-N 3.31Å; K312-A314 PolarHBondContact O-N 2.97Å; A314-L316 VanDerWaalsContact C-N 3.33Å; A314-L316 PolarHBondContact O-N 2.99Å; A314-K317 PolarHBondContact O-N 3.25Å; A314-I318 WeakPolarHBondContact O-CB 3.22Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.3Å; A314-I318 PolarHBondContact O-N 2.98Å; A314-T465 HydrophobicContact CB-CG2 4.19Å; A314-L468 HydrophobicContact CB-CB 3.68Å; A314-L468 HydrophobicContact CB-CD1 3.66Å; A314-L468 HydrophobicContact CB-CG 4.33Å
315	L	98.4	Very high	96.9	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-42.2	177.2	-72.9	170.1	0	0	0	112.1	F295 I297 T311 K312 K317 I318 L319 V359	F295-L315 HydrophobicContact CB-CD2 4.35Å; F295-L315 HydrophobicContact CD1-CD2 4.07Å; F295-L315 HydrophobicContact CG-CD2 4.15Å; I297-L315 HydrophobicContact CD1-CD1 4.28Å; I297-L315 HydrophobicContact CD1-CD2 4.26Å; I297-L315 HydrophobicContact CG1-CD1 4.04Å; T311-L315 HydrophobicContact CG2-CD1 4.03Å; T311-L315 WeakPolarHBondContact O-CG 3.1Å; T311-L315 PolarHBondContact O-N 2.9Å; K312-L315 PolarHBondContact O-N 2.69Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 3.2Å; L315-I318 PolarHBondContact O-N 2.91Å; L315-L319 WeakPolarHBondContact O-CB 3.3Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 3.33Å; L315-V359 HydrophobicContact CB-CG1 4.02Å; L315-V359 HydrophobicContact CB-CG2 4.35Å; L315-V359 HydrophobicContact CD1-CG1 4.36Å; L315-V359 HydrophobicContact CD1-CG2 4.48Å
316	L	98.5	Very high	97	Very high	42 Å²	42	44.6 Å²	44.6	22%	0.22	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-38.8	177.6	-71.5	174.3	0	0	0	112.4	K312 A314 G320 K356 V359 R360	K312-L316 WeakPolarHBondContact O-CB 3.39Å; K312-L316 WeakPolarHBondContact O-CG 3.09Å; K312-L316 PolarHBondContact O-N 2.91Å; A314-L316 VanDerWaalsContact C-N 3.33Å; A314-L316 PolarHBondContact O-N 2.99Å; L316-G320 PolarHBondContact O-N 3.36Å; L316-K356 HydrophobicContact CD2-CB 3.66Å; L316-K356 HydrophobicContact CD2-CG 3.8Å; L316-K356 WeakPolarHBondContact CD2-O 3.26Å; L316-V359 HydrophobicContact CD2-CB 4.17Å; L316-V359 HydrophobicContact CD2-CG1 4.03Å; L316-V359 HydrophobicContact CG-CG1 4.02Å; L316-R360 HydrophobicContact CD1-CG 4.24Å; L316-R360 HydrophobicContact CD2-CG 4.23Å
317	K	97.1	Very high	97.1	Very high	91 Å²	91	41.3 Å²	41.3	40%	0.396	22%	0.218	S	C	.	.	H	α-helix	trans	-73.4	-43.3	175.9	-67.1	-179.5	-170.8	178.4	0	111.7	E313 A314 L315 L319 G320 D321 Q469	E313-K317 WeakPolarHBondContact O-CG 3.45Å; E313-K317 PolarHBondContact O-N 2.82Å; A314-K317 PolarHBondContact O-N 3.25Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 3.2Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-L319 PolarHBondContact O-N 3.11Å; K317-G320 CarbonylContact O-C 3.52Å; K317-G320 WeakPolarHBondContact O-CA 3.26Å; K317-G320 PolarHBondContact O-N 2.93Å; K317-D321 PolarHBondContact O-N 3.36Å; K317-Q469 HydrophobicContact CD-CG 4.49Å; K317-Q469 VanDerWaalsContact CD-OE1 3.31Å
318	I	97.3	Very high	97.2	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-46.1	175.9	-71.4	167	0	0	0	111.1	F295 A314 L315 G320 D321 M322 Y472	F295-I318 HydrophobicContact CE1-CG2 4.07Å; F295-I318 HydrophobicContact CE2-CG2 4.42Å; F295-I318 HydrophobicContact CZ-CG2 3.6Å; A314-I318 WeakPolarHBondContact O-CB 3.22Å; A314-I318 VanDerWaalsContact O-CG1 3.26Å; A314-I318 WeakPolarHBondContact O-CG1 3.3Å; A314-I318 PolarHBondContact O-N 2.98Å; L315-I318 PolarHBondContact O-N 2.91Å; I318-G320 PolarHBondContact O-N 2.84Å; I318-D321 PolarHBondContact O-N 3.07Å; I318-M322 HydrophobicContact CG2-CE 4.27Å; I318-M322 PolarHBondContact O-N 3.12Å; I318-Y472 HydrophobicContact CB-CD1 4.33Å; I318-Y472 HydrophobicContact CB-CE1 4.38Å; I318-Y472 HydrophobicContact CD1-CD1 4.32Å; I318-Y472 HydrophobicContact CD1-CD2 4.44Å; I318-Y472 HydrophobicContact CD1-CG 3.96Å; I318-Y472 HydrophobicContact CG1-CD1 3.74Å; I318-Y472 HydrophobicContact CG1-CE1 4.28Å; I318-Y472 HydrophobicContact CG1-CG 3.92Å; I318-Y472 HydrophobicContact CG2-CD1 3.93Å; I318-Y472 HydrophobicContact CG2-CD2 4.16Å; I318-Y472 HydrophobicContact CG2-CE1 3.65Å; I318-Y472 HydrophobicContact CG2-CE2 3.92Å; I318-Y472 HydrophobicContact CG2-CG 4.16Å
319	L	97.7	Very high	97.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-23.8	173.7	-69.7	167.9	0	0	0	112.8	L315 K317 M322 F328 L352 A355 K356 V359	L315-L319 WeakPolarHBondContact O-CB 3.3Å; L315-L319 VanDerWaalsContact O-CG 3.25Å; L315-L319 WeakPolarHBondContact O-CG 3.36Å; L315-L319 PolarHBondContact O-N 3.33Å; K317-L319 VanDerWaalsContact C-N 3.34Å; K317-L319 PolarHBondContact O-N 3.11Å; L319-M322 HydrophobicContact CD2-CE 3.62Å; L319-M322 HydrophobicContact CD2-SD 3.96Å; L319-M322 HydrophobicContact CG-CE 4.47Å; L319-F328 HydrophobicContact CD2-CD2 3.89Å; L319-F328 HydrophobicContact CD2-CE2 3.45Å; L319-F328 VanDerWaalsContact CD2-CE2 3.45Å; L319-F328 HydrophobicContact CD2-CZ 3.9Å; L319-L352 HydrophobicContact CD2-CD2 4.32Å; L319-L352 WeakPolarHBondContact O-CD2 3.36Å; L319-A355 HydrophobicContact CD1-CB 4.06Å; L319-A355 HydrophobicContact CD2-CB 4.23Å; L319-K356 HydrophobicContact CB-CG 4.11Å; L319-K356 HydrophobicContact CD1-CG 4.11Å; L319-V359 HydrophobicContact CD1-CG2 3.96Å
320	G	94.9	Very high	97.3	Very high	39 Å²	39	34.2 Å²	34.2	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-74.6	-28.6	173.4	0	0	0	0	0	113.5	L316 K317 I318	L316-G320 PolarHBondContact O-N 3.36Å; K317-G320 CarbonylContact O-C 3.52Å; K317-G320 WeakPolarHBondContact O-CA 3.26Å; K317-G320 PolarHBondContact O-N 2.93Å; I318-G320 PolarHBondContact O-N 2.84Å
321	D	93	Very high	97.3	Very high	106 Å²	106	33.5 Å²	33.5	57%	0.567	18%	0.182	S	C	*	.	H	α-helix	trans	-98.3	-1.8	-175.1	-62.6	-27.5	0	0	0	113.3	K317 I318 Q323	K317-D321 PolarHBondContact O-N 3.36Å; I318-D321 PolarHBondContact O-N 3.07Å; D321-Q323 PolarHBondContact O-NE2 2.98Å; D321-Q323 VanDerWaalsContact O-NE2 3.13Å
322	M	95.3	Very high	97.4	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.049	18%	0.183	C	C	.	.			trans	-62.7	145.6	176	-79	-173.9	-169.7	0	0	111.9	V293 F295 I318 L319 F328 A347 L352	V293-M322 HydrophobicContact CG1-CE 3.99Å; F295-M322 HydrophobicContact CE2-CE 3.49Å; F295-M322 VanDerWaalsContact CE2-CE 3.49Å; F295-M322 HydrophobicContact CZ-CE 4Å; I318-M322 HydrophobicContact CG2-CE 4.27Å; I318-M322 PolarHBondContact O-N 3.12Å; L319-M322 HydrophobicContact CD2-CE 3.62Å; L319-M322 HydrophobicContact CD2-SD 3.96Å; L319-M322 HydrophobicContact CG-CE 4.47Å; M322-F328 HydrophobicContact CE-CB 4.11Å; M322-F328 HydrophobicContact CE-CD2 4.24Å; M322-F328 HydrophobicContact CE-CG 4.05Å; M322-F328 HydrophobicContact SD-CB 4.2Å; M322-F328 HydrophobicContact SD-CD1 3.76Å; M322-F328 HydrophobicContact SD-CD2 4.39Å; M322-F328 HydrophobicContact SD-CE1 4.25Å; M322-F328 HydrophobicContact SD-CG 3.85Å; M322-A347 HydrophobicContact CB-CB 4.22Å; M322-L352 HydrophobicContact CB-CD2 4.18Å; M322-L352 HydrophobicContact SD-CD2 4Å
323	Q	95.9	Very high	97.4	Very high	109 Å²	109	31.6 Å²	31.6	51%	0.509	17%	0.174	S	C	.	.			trans	-91.7	149.1	179.9	-59.3	-57.7	-63.9	0	0	110.6	D321 G325 D326 A347	D321-Q323 PolarHBondContact O-NE2 2.98Å; D321-Q323 VanDerWaalsContact O-NE2 3.13Å; Q323-G325 PolarHBondContact O-N 3.29Å; Q323-D326 PolarHBondContact N-OD2 2.89Å; Q323-D326 VanDerWaalsContact O-CB 3.3Å; Q323-D326 WeakPolarHBondContact O-CB 3.2Å; Q323-D326 PolarHBondContact O-N 2.81Å; Q323-A347 WeakPolarHBondContact O-CB 3.47Å
324	P	95.8	Very high	97.3	Very high	89 Å²	89	28.1 Å²	28.1	58%	0.578	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.8	-176.2	-25.3	34.5	0	0	0	115.8	Q346	P324-Q346 WeakPolarHBondContact O-CG 3.28Å; P324-Q346 PolarHBondContact O-NE2 3.32Å
325	G	95.8	Very high	97.2	Very high	22 Å²	22	29.7 Å²	29.7	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10	175.1	0	0	0	0	0	114.4	N290 Q323	N290-G325 WeakPolarHBondContact OD1-CA 3.19Å; Q323-G325 PolarHBondContact O-N 3.29Å
326	D	97.9	Very high	97.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	20%	0.198	C	C	.	.			trans	-75.3	153.5	177.7	-61.4	-36.5	0	0	0	111.6	K291 Q323 A347	K291-D326 HydrophobicContact CG-CB 4.39Å; K291-D326 WeakPolarHBondContact CG-OD1 3.08Å; K291-D326 PolarHBondContact N-OD1 3.34Å; K291-D326 IonicContact NZ-OD1 3.25Å; K291-D326 PolarHBondContact NZ-OD1 3.14Å; K291-D326 IonicContact NZ-OD2 3.41Å; K291-D326 PolarHBondContact NZ-OD2 3.15Å; K291-D326 WeakPolarHBondContact O-CA 3.48Å; Q323-D326 PolarHBondContact N-OD2 2.89Å; Q323-D326 VanDerWaalsContact O-CB 3.3Å; Q323-D326 WeakPolarHBondContact O-CB 3.2Å; Q323-D326 PolarHBondContact O-N 2.81Å; D326-A347 HydrophobicContact CB-CB 4.23Å; D326-A347 WeakPolarHBondContact O-CB 2.93Å; D326-A347 PolarHBondContact O-N 2.84Å
327	Y	98.6	Very high	97.1	Very high	51 Å²	51	37.9 Å²	37.9	20%	0.2	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.5	171.4	-78.3	-113.2	0	0	0	110.2	K291 N292 V293 L344 V345 Q346 L391 H394	K291-Y327 PolarHBondContact O-N 3.14Å; N292-Y327 CarbonylContact C-O 3.49Å; N292-Y327 VanDerWaalsContact CA-O 3.31Å; N292-Y327 WeakPolarHBondContact CA-O 3.3Å; V293-Y327 PolarHBondContact N-O 3.3Å; Y327-L344 HydrophobicContact CD1-CB 4.4Å; Y327-V345 CarbonylContact C-O 3.42Å; Y327-V345 VanDerWaalsContact CA-O 3.29Å; Y327-V345 WeakPolarHBondContact CA-O 3.5Å; Y327-V345 VanDerWaalsContact CD1-C 3.41Å; Y327-Q346 HydrophobicContact CD1-CB 4.24Å; Y327-Q346 VanDerWaalsContact CD1-N 3.31Å; Y327-Q346 HydrophobicContact CD2-CG 4.5Å; Y327-Q346 HydrophobicContact CE1-CB 3.77Å; Y327-Q346 HydrophobicContact CE2-CB 4.05Å; Y327-Q346 HydrophobicContact CE2-CG 3.92Å; Y327-L391 HydrophobicContact CD1-CD1 3.57Å; Y327-L391 HydrophobicContact CD1-CD2 4.04Å; Y327-L391 HydrophobicContact CD1-CG 4.48Å; Y327-L391 HydrophobicContact CD2-CD2 3.8Å; Y327-L391 HydrophobicContact CE1-CD1 3.93Å; Y327-L391 HydrophobicContact CE1-CD2 3.82Å; Y327-L391 HydrophobicContact CE2-CD2 3.6Å; Y327-L391 HydrophobicContact CG-CD1 3.9Å; Y327-L391 HydrophobicContact CG-CD2 4.03Å; Y327-H394 AromaticContact CD2-CE1 3.83Å
328	F	98.8	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.8	-176.5	76.2	-76.2	0	0	0	114.3	V293 L319 M322 W340 V345 A347 L352 A355	V293-F328 HydrophobicContact CG1-CB 3.77Å; V293-F328 WeakPolarHBondContact O-CA 3.28Å; V293-F328 WeakPolarHBondContact O-CB 3.45Å; L319-F328 HydrophobicContact CD2-CD2 3.89Å; L319-F328 HydrophobicContact CD2-CE2 3.45Å; L319-F328 VanDerWaalsContact CD2-CE2 3.45Å; L319-F328 HydrophobicContact CD2-CZ 3.9Å; M322-F328 HydrophobicContact CE-CB 4.11Å; M322-F328 HydrophobicContact CE-CD2 4.24Å; M322-F328 HydrophobicContact CE-CG 4.05Å; M322-F328 HydrophobicContact SD-CB 4.2Å; M322-F328 HydrophobicContact SD-CD1 3.76Å; M322-F328 HydrophobicContact SD-CD2 4.39Å; M322-F328 HydrophobicContact SD-CE1 4.25Å; M322-F328 HydrophobicContact SD-CG 3.85Å; F328-W340 HydrophobicContact CD2-CZ3 4.34Å; F328-W340 HydrophobicContact CE1-CZ3 4.39Å; F328-W340 HydrophobicContact CE2-CE3 4.01Å; F328-W340 HydrophobicContact CE2-CH2 4.29Å; F328-W340 AromaticContact CE2-CZ3 3.48Å; F328-W340 HydrophobicContact CE2-CZ3 3.48Å; F328-W340 VanDerWaalsContact CE2-CZ3 3.48Å; F328-W340 HydrophobicContact CZ-CE3 4.47Å; F328-W340 AromaticContact CZ-CH2 3.95Å; F328-W340 HydrophobicContact CZ-CH2 3.95Å; F328-W340 AromaticContact CZ-CZ3 3.52Å; F328-W340 HydrophobicContact CZ-CZ3 3.52Å; F328-V345 HydrophobicContact CE1-CG2 4.45Å; F328-V345 PolarHBondContact N-O 2.85Å; F328-V345 PolarHBondContact O-N 2.84Å; F328-V345 VanDerWaalsContact O-N 3.09Å; F328-A347 HydrophobicContact CD1-CB 4.25Å; F328-A347 HydrophobicContact CE1-CB 4.28Å; F328-L352 HydrophobicContact CE1-CD2 3.72Å; F328-L352 HydrophobicContact CZ-CD2 3.93Å; F328-A355 HydrophobicContact CE2-CB 3.6Å; F328-A355 HydrophobicContact CZ-CB 3.68Å
329	D	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	166.9	161.5	-160.3	6.6	0	0	0	110.4	V293 V294 F295 W340 K341 G342 S343 I380	V293-D329 PolarHBondContact O-N 3.24Å; V294-D329 WeakPolarHBondContact CA-O 3.32Å; V294-D329 HydrophobicContact CG2-CB 4.33Å; F295-D329 PolarHBondContact N-O 2.82Å; D329-W340 WeakPolarHBondContact OD1-CB 3.15Å; D329-K341 PolarHBondContact OD1-N 2.89Å; D329-G342 WeakPolarHBondContact OD2-CA 3.27Å; D329-G342 PolarHBondContact OD2-N 3.12Å; D329-S343 PolarHBondContact OD2-N 3.01Å; D329-I380 HydrophobicContact CB-CG2 4.11Å; D329-I380 WeakPolarHBondContact OD2-CD1 3.42Å
330	L	98.8	Very high	97.3	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.2	177	-59.9	169	0	0	0	109	F295 S339 W340 A355 F358 V359	F295-L330 HydrophobicContact CB-CD2 3.9Å; F295-L330 HydrophobicContact CD2-CD2 3.86Å; F295-L330 HydrophobicContact CG-CD2 4.21Å; L330-S339 CarbonylContact O-C 3.57Å; L330-S339 WeakPolarHBondContact O-CA 3.43Å; L330-W340 HydrophobicContact CB-CB 4.02Å; L330-W340 PolarHBondContact O-N 2.94Å; L330-A355 HydrophobicContact CD1-CB 4.23Å; L330-F358 HydrophobicContact CB-CE1 4.27Å; L330-F358 HydrophobicContact CD1-CD1 3.89Å; L330-F358 HydrophobicContact CD1-CE1 4.39Å; L330-V359 HydrophobicContact CD1-CG2 3.66Å
331	V	98.9	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126	172.8	179.6	0	0	0	0	108.1	V294 F295 V296 I297 V337 Q338 Q376 I380	V294-V331 HydrophobicContact CG1-CG2 3.93Å; F295-V331 PolarHBondContact O-N 3.11Å; V296-V331 CarbonylContact C-O 3.59Å; V296-V331 VanDerWaalsContact CA-O 3.32Å; V296-V331 WeakPolarHBondContact CA-O 3.43Å; V296-V331 HydrophobicContact CG1-CG1 4.42Å; V296-V331 HydrophobicContact CG2-CB 4.24Å; I297-V331 PolarHBondContact N-O 2.72Å; V331-V337 HydrophobicContact CG1-CG1 3.86Å; V331-Q338 CarbonylContact C-O 3.58Å; V331-Q338 WeakPolarHBondContact CA-O 3.33Å; V331-Q376 HydrophobicContact CG1-CB 4.13Å; V331-Q376 HydrophobicContact CG1-CG 4.13Å; V331-Q376 HydrophobicContact CG2-CG 4.17Å; V331-I380 HydrophobicContact CG2-CD1 3.65Å
332	L	98.8	Very high	97.6	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.2	172.8	-50.9	-177.3	0	0	0	108.6	I297 I299 V337 Q338 F358 F362	I297-L332 HydrophobicContact CB-CD2 3.95Å; I297-L332 WeakPolarHBondContact O-CA 3.27Å; I299-L332 HydrophobicContact CD1-CB 3.83Å; I299-L332 HydrophobicContact CD1-CD1 4.42Å; I299-L332 HydrophobicContact CG1-CB 4.16Å; I299-L332 HydrophobicContact CG2-CB 4.14Å; I299-L332 HydrophobicContact CG2-CD1 4.4Å; I299-L332 HydrophobicContact CG2-CD2 4.17Å; I299-L332 HydrophobicContact CG2-CG 4.47Å; L332-V337 WeakPolarHBondContact O-CA 3.43Å; L332-Q338 PolarHBondContact N-O 3.05Å; L332-Q338 PolarHBondContact O-N 3.39Å; L332-F358 HydrophobicContact CD1-CE1 3.71Å; L332-F358 HydrophobicContact CD1-CZ 3.57Å; L332-F358 HydrophobicContact CD2-CE1 4.42Å; L332-F358 HydrophobicContact CG-CE1 3.99Å; L332-F358 HydrophobicContact CG-CZ 4.06Å; L332-F362 HydrophobicContact CD1-CB 3.45Å; L332-F362 VanDerWaalsContact CD1-CB 3.45Å; L332-F362 HydrophobicContact CD1-CD1 3.84Å; L332-F362 HydrophobicContact CD1-CD2 4.13Å; L332-F362 HydrophobicContact CD1-CG 3.57Å; L332-F362 HydrophobicContact CD2-CD1 4.31Å; L332-F362 HydrophobicContact CD2-CE1 4.34Å
333	F	98.6	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	174.1	67.1	-83.1	0	0	0	111.3	V296 I297 D298 I299 V337 T368 L370 M400	V296-F333 HydrophobicContact CG1-CD1 3.58Å; V296-F333 HydrophobicContact CG1-CE1 3.68Å; I297-F333 VanDerWaalsContact C-CD1 3.47Å; I297-F333 WeakPolarHBondContact O-CD1 3.34Å; I297-F333 PolarHBondContact O-N 2.94Å; D298-F333 HydrophobicContact CB-CE1 3.97Å; D298-F333 HydrophobicContact CB-CE2 3.78Å; D298-F333 HydrophobicContact CB-CZ 3.45Å; D298-F333 VanDerWaalsContact CB-CZ 3.45Å; I299-F333 VanDerWaalsContact CG1-C 3.48Å; I299-F333 VanDerWaalsContact CG1-O 3.31Å; I299-F333 WeakPolarHBondContact CG1-O 3.33Å; I299-F333 PolarHBondContact N-O 3.13Å; F333-V337 HydrophobicContact CB-CG2 4.46Å; F333-T368 HydrophobicContact CD2-CG2 4.18Å; F333-T368 HydrophobicContact CE2-CG2 3.73Å; F333-L370 HydrophobicContact CE1-CD1 4.47Å; F333-L370 HydrophobicContact CE2-CB 4.22Å; F333-L370 HydrophobicContact CE2-CD1 3.73Å; F333-L370 HydrophobicContact CZ-CD1 3.6Å; F333-M400 HydrophobicContact CE1-CG 4.33Å; F333-M400 HydrophobicContact CZ-SD 4.2Å
334	G	97.4	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-132.7	-124.5	165.9	0	0	0	0	0	108.1	R336 D365 A367 N369	G334-R336 VanDerWaalsContact C-N 3.25Å; G334-R336 PolarHBondContact N-O 3.34Å; G334-R336 PolarHBondContact O-N 2.99Å; G334-D365 CarbonylContact C-O 3.47Å; G334-D365 VanDerWaalsContact CA-O 3.24Å; G334-D365 WeakPolarHBondContact CA-O 3.25Å; G334-A367 CarbonylContact C-O 3.47Å; G334-A367 WeakPolarHBondContact CA-O 3.15Å; G334-N369 WeakPolarHBondContact O-CB 3.48Å; G334-N369 PolarHBondContact O-N 3.27Å
335	S	95.6	Very high	97.9	Very high	35 Å²	35	34.4 Å²	34.4	25%	0.245	18%	0.177	C	C	.	.	S	Bend	trans	-60.8	-38.7	165.8	-57.2	0	0	0	0	111.2	D365 A367	S335-D365 PolarHBondContact N-O 3.27Å; S335-D365 PolarHBondContact N-OD2 2.84Å; S335-D365 PolarHBondContact OG-O 3.02Å; S335-A367 PolarHBondContact N-O 2.96Å; S335-A367 WeakPolarHBondContact OG-CB 3.28Å; S335-A367 PolarHBondContact OG-N 3.15Å
336	R	96.6	Very high	98	Very high	176 Å²	176	37.5 Å²	37.5	66%	0.664	19%	0.186	S	C	*	.	S	Bend	trans	-111	158.7	175.1	-63.8	169.7	-66	167.2	-0.2	111.1	G334 D365	G334-R336 VanDerWaalsContact C-N 3.25Å; G334-R336 PolarHBondContact N-O 3.34Å; G334-R336 PolarHBondContact O-N 2.99Å; R336-D365 WeakPolarHBondContact CB-OD2 3.4Å; R336-D365 IonicContact CZ-OD1 3.99Å; R336-D365 PolarHBondContact N-OD2 3.24Å; R336-D365 IonicContact NE-OD1 3.83Å; R336-D365 PolarHBondContact NE-OD1 3.44Å; R336-D365 IonicContact NE-OD2 3.84Å; R336-D365 PolarHBondContact NE-OD2 3.09Å; R336-D365 IonicContact NH2-OD1 3.89Å; R336-D365 PolarHBondContact NH2-OD1 3.09Å
337	V	98.3	Very high	98	Very high	46 Å²	46	37.5 Å²	37.5	28%	0.279	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.2	172.5	-177.1	0	0	0	0	108.5	V331 L332 F333 N369 Q376	V331-V337 HydrophobicContact CG1-CG1 3.86Å; L332-V337 WeakPolarHBondContact O-CA 3.43Å; F333-V337 HydrophobicContact CB-CG2 4.46Å; V337-N369 HydrophobicContact CG2-CB 4.48Å; V337-Q376 HydrophobicContact CG1-CB 3.76Å; V337-Q376 HydrophobicContact CG1-CG 3.98Å
338	Q	98.1	Very high	98	Very high	104 Å²	104	37 Å²	37	49%	0.486	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.2	179.8	-179	179.8	0.2	0	0	110.5	V331 L332	V331-Q338 CarbonylContact C-O 3.58Å; V331-Q338 WeakPolarHBondContact CA-O 3.33Å; L332-Q338 PolarHBondContact N-O 3.05Å; L332-Q338 PolarHBondContact O-N 3.39Å
339	S	98.2	Very high	97.9	Very high	36 Å²	36	43.6 Å²	43.6	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	151	167.7	54.7	0	0	0	0	111.4	L330 G342	L330-S339 CarbonylContact O-C 3.57Å; L330-S339 WeakPolarHBondContact O-CA 3.43Å; S339-G342 WeakPolarHBondContact OG-CA 3.32Å; S339-G342 PolarHBondContact OG-N 3.07Å
340	W	98.6	Very high	97.9	Very high	41 Å²	41	47.1 Å²	47.1	16%	0.155	25%	0.25	C	S	.	.	S	Bend	trans	-72.8	-50.3	173.4	169.3	52.3	0	0	0	111.4	F328 D329 L330 V345 N351 A354 A355 F358	F328-W340 HydrophobicContact CD2-CZ3 4.34Å; F328-W340 HydrophobicContact CE1-CZ3 4.39Å; F328-W340 HydrophobicContact CE2-CE3 4.01Å; F328-W340 HydrophobicContact CE2-CH2 4.29Å; F328-W340 AromaticContact CE2-CZ3 3.48Å; F328-W340 HydrophobicContact CE2-CZ3 3.48Å; F328-W340 VanDerWaalsContact CE2-CZ3 3.48Å; F328-W340 HydrophobicContact CZ-CE3 4.47Å; F328-W340 AromaticContact CZ-CH2 3.95Å; F328-W340 HydrophobicContact CZ-CH2 3.95Å; F328-W340 AromaticContact CZ-CZ3 3.52Å; F328-W340 HydrophobicContact CZ-CZ3 3.52Å; D329-W340 WeakPolarHBondContact OD1-CB 3.15Å; L330-W340 HydrophobicContact CB-CB 4.02Å; L330-W340 PolarHBondContact O-N 2.94Å; W340-V345 HydrophobicContact CE3-CG2 4.48Å; W340-V345 HydrophobicContact CH2-CG2 3.9Å; W340-V345 HydrophobicContact CZ3-CG2 3.51Å; W340-N351 HydrophobicContact CH2-CB 4.13Å; W340-N351 VanDerWaalsContact CH2-O 3.27Å; W340-N351 WeakPolarHBondContact CH2-O 3.4Å; W340-A354 HydrophobicContact CZ2-CB 3.86Å; W340-A355 HydrophobicContact CD2-CB 4.31Å; W340-A355 HydrophobicContact CE3-CB 4.14Å; W340-A355 HydrophobicContact CH2-CB 3.72Å; W340-A355 HydrophobicContact CZ2-CB 3.88Å; W340-A355 HydrophobicContact CZ3-CB 3.85Å; W340-F358 HydrophobicContact CB-CD1 3.91Å; W340-F358 HydrophobicContact CB-CD2 4.48Å; W340-F358 HydrophobicContact CB-CE1 3.82Å; W340-F358 HydrophobicContact CB-CE2 4.41Å; W340-F358 HydrophobicContact CB-CG 4.24Å; W340-F358 HydrophobicContact CB-CZ 4.08Å; W340-F358 AromaticContact CD1-CD2 3.68Å; W340-F358 AromaticContact CD1-CG 3.52Å; W340-F358 HydrophobicContact CG-CB 4.37Å; W340-F358 HydrophobicContact CG-CD1 4.06Å; W340-F358 HydrophobicContact CG-CD2 4.39Å; W340-F358 HydrophobicContact CG-CE1 4.46Å; W340-F358 HydrophobicContact CG-CG 4.02Å
341	K	97.9	Very high	97.9	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	26%	0.259	S	S	.	.	S	Bend	trans	-110.7	-35.5	175.5	-70.5	-69.6	-173.6	174.5	0	113.4	D329 S343 V345	D329-K341 PolarHBondContact OD1-N 2.89Å; K341-S343 VanDerWaalsContact C-N 3.27Å; K341-V345 HydrophobicContact CB-CG1 4.16Å; K341-V345 HydrophobicContact CD-CG1 4.27Å; K341-V345 HydrophobicContact CG-CG1 3.87Å; K341-V345 HydrophobicContact CG-CG2 4.11Å
342	G	96.4	Very high	97.9	Very high	21 Å²	21	49.1 Å²	49.1	22%	0.216	26%	0.261	C	S	.	.	S	Bend	trans	82.7	5.1	-172.5	0	0	0	0	0	113.7	D329 S339 Q383	D329-G342 WeakPolarHBondContact OD2-CA 3.27Å; D329-G342 PolarHBondContact OD2-N 3.12Å; S339-G342 WeakPolarHBondContact OG-CA 3.32Å; S339-G342 PolarHBondContact OG-N 3.07Å; G342-Q383 PolarHBondContact O-NE2 3.13Å
343	S	97.4	Very high	97.8	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	28%	0.278	S	S	.	.	S	Bend	trans	-156.7	158.3	175.9	68.1	0	0	0	0	109.6	D329 K341 V345 Q383	D329-S343 PolarHBondContact OD2-N 3.01Å; K341-S343 VanDerWaalsContact C-N 3.27Å; S343-V345 PolarHBondContact O-N 3.25Å; S343-Q383 VanDerWaalsContact CB-OE1 3.3Å
344	L	98.4	Very high	97.8	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.042	30%	0.295	C	S	.	.			trans	-64.9	129.2	175.9	-70.5	171.5	0	0	0	111.2	N292 V294 Y327 I380 L381 V384 L388 L391	N292-L344 HydrophobicContact CB-CD1 3.82Å; N292-L344 HydrophobicContact CB-CD2 4.26Å; V294-L344 HydrophobicContact CG2-CD2 3.98Å; Y327-L344 HydrophobicContact CD1-CB 4.4Å; L344-I380 HydrophobicContact CD2-CG2 4.18Å; L344-I380 HydrophobicContact CG-CG2 4.03Å; L344-L381 HydrophobicContact CD1-CD2 4.44Å; L344-L381 HydrophobicContact CD2-CD2 4.22Å; L344-V384 HydrophobicContact CD1-CG2 3.32Å; L344-L388 HydrophobicContact CB-CD1 4.12Å; L344-L391 HydrophobicContact CB-CD1 4.19Å; L344-L391 HydrophobicContact CD1-CD1 4.15Å
345	V	98.2	Very high	97.9	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.9	173.7	-61.6	0	0	0	0	111	Y327 F328 W340 K341 S343 N351	Y327-V345 CarbonylContact C-O 3.42Å; Y327-V345 VanDerWaalsContact CA-O 3.29Å; Y327-V345 WeakPolarHBondContact CA-O 3.5Å; Y327-V345 VanDerWaalsContact CD1-C 3.41Å; F328-V345 HydrophobicContact CE1-CG2 4.45Å; F328-V345 PolarHBondContact N-O 2.85Å; F328-V345 PolarHBondContact O-N 2.84Å; F328-V345 VanDerWaalsContact O-N 3.09Å; W340-V345 HydrophobicContact CE3-CG2 4.48Å; W340-V345 HydrophobicContact CH2-CG2 3.9Å; W340-V345 HydrophobicContact CZ3-CG2 3.51Å; K341-V345 HydrophobicContact CB-CG1 4.16Å; K341-V345 HydrophobicContact CD-CG1 4.27Å; K341-V345 HydrophobicContact CG-CG1 3.87Å; K341-V345 HydrophobicContact CG-CG2 4.11Å; S343-V345 PolarHBondContact O-N 3.25Å; V345-N351 HydrophobicContact CG2-CB 4.47Å
346	Q	98.3	Very high	98	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.8	178.4	-168.1	-179.5	13.3	0	0	111.1	P324 Y327 S348 N351	P324-Q346 WeakPolarHBondContact O-CG 3.28Å; P324-Q346 PolarHBondContact O-NE2 3.32Å; Y327-Q346 HydrophobicContact CD1-CB 4.24Å; Y327-Q346 VanDerWaalsContact CD1-N 3.31Å; Y327-Q346 HydrophobicContact CD2-CG 4.5Å; Y327-Q346 HydrophobicContact CE1-CB 3.77Å; Y327-Q346 HydrophobicContact CE2-CB 4.05Å; Y327-Q346 HydrophobicContact CE2-CG 3.92Å; Q346-S348 PolarHBondContact O-N 3.43Å; Q346-N351 WeakPolarHBondContact O-CB 3.21Å; Q346-N351 PolarHBondContact O-ND2 3.26Å
347	A	98.1	Very high	98.1	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	27%	0.27	C	S	.	.			trans	-71.4	52.2	171.7	0	0	0	0	0	113.3	M322 Q323 D326 F328 L352	M322-A347 HydrophobicContact CB-CB 4.22Å; Q323-A347 WeakPolarHBondContact O-CB 3.47Å; D326-A347 HydrophobicContact CB-CB 4.23Å; D326-A347 WeakPolarHBondContact O-CB 2.93Å; D326-A347 PolarHBondContact O-N 2.84Å; F328-A347 HydrophobicContact CD1-CB 4.25Å; F328-A347 HydrophobicContact CE1-CB 4.28Å; A347-L352 HydrophobicContact CB-CD1 4.41Å; A347-L352 HydrophobicContact CB-CD2 4.02Å; A347-L352 HydrophobicContact CB-CG 4.31Å
348	S	98.1	Very high	98.1	Very high	42 Å²	42	47.9 Å²	47.9	29%	0.294	26%	0.264	S	S	.	.			trans	-71.7	153.6	169.3	72.1	0	0	0	0	110.8	Q346 A350 N351 L352	Q346-S348 PolarHBondContact O-N 3.43Å; S348-A350 PolarHBondContact O-N 2.75Å; S348-A350 VanDerWaalsContact O-N 3.15Å; S348-N351 PolarHBondContact O-N 2.9Å; S348-N351 WeakPolarHBondContact OG-CB 3.36Å; S348-N351 PolarHBondContact OG-N 3.24Å; S348-N351 PolarHBondContact OG-ND2 2.94Å; S348-L352 WeakPolarHBondContact O-CG 3.49Å; S348-L352 PolarHBondContact O-N 3.39Å
349	E	97.4	Very high	98.2	Very high	137 Å²	137	43 Å²	43	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-54	-39.4	179.8	-170.4	58.4	-146.2	0	0	112.4	Q353	E349-Q353 WeakPolarHBondContact O-CB 3.43Å; E349-Q353 PolarHBondContact O-N 3.49Å
350	A	98.1	Very high	98.1	Very high	74 Å²	74	47.1 Å²	47.1	61%	0.612	25%	0.251	S	S	*	.	H	α-helix	trans	-64.7	-45.2	176.5	0	0	0	0	0	112.5	S348 A354	S348-A350 PolarHBondContact O-N 2.75Å; S348-A350 VanDerWaalsContact O-N 3.15Å; A350-A354 WeakPolarHBondContact O-CB 3.15Å; A350-A354 PolarHBondContact O-N 3.17Å
351	N	98.4	Very high	98.1	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	28%	0.276	C	S	.	.	H	α-helix	trans	-67.8	-40.9	177.8	-77.7	-25.3	0	0	0	111.6	W340 V345 Q346 S348 A354 A355	W340-N351 HydrophobicContact CH2-CB 4.13Å; W340-N351 VanDerWaalsContact CH2-O 3.27Å; W340-N351 WeakPolarHBondContact CH2-O 3.4Å; V345-N351 HydrophobicContact CG2-CB 4.47Å; Q346-N351 WeakPolarHBondContact O-CB 3.21Å; Q346-N351 PolarHBondContact O-ND2 3.26Å; S348-N351 PolarHBondContact O-N 2.9Å; S348-N351 WeakPolarHBondContact OG-CB 3.36Å; S348-N351 PolarHBondContact OG-N 3.24Å; S348-N351 PolarHBondContact OG-ND2 2.94Å; N351-A354 PolarHBondContact O-N 3.47Å; N351-A355 WeakPolarHBondContact O-CB 3.32Å; N351-A355 PolarHBondContact O-N 2.74Å
352	L	98.4	Very high	98.1	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-43.8	176.9	-68.7	177.6	0	0	0	111.3	L319 M322 F328 A347 S348 A355 K356	L319-L352 HydrophobicContact CD2-CD2 4.32Å; L319-L352 WeakPolarHBondContact O-CD2 3.36Å; M322-L352 HydrophobicContact CB-CD2 4.18Å; M322-L352 HydrophobicContact SD-CD2 4Å; F328-L352 HydrophobicContact CE1-CD2 3.72Å; F328-L352 HydrophobicContact CZ-CD2 3.93Å; A347-L352 HydrophobicContact CB-CD1 4.41Å; A347-L352 HydrophobicContact CB-CD2 4.02Å; A347-L352 HydrophobicContact CB-CG 4.31Å; S348-L352 WeakPolarHBondContact O-CG 3.49Å; S348-L352 PolarHBondContact O-N 3.39Å; L352-A355 PolarHBondContact O-N 2.91Å; L352-K356 WeakPolarHBondContact O-CB 3.09Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 3.04Å
353	Q	98.2	Very high	98	Very high	80 Å²	80	53 Å²	53	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.6	-172.7	60.7	29.3	0	0	111.8	E349 K356 D357	E349-Q353 WeakPolarHBondContact O-CB 3.43Å; E349-Q353 PolarHBondContact O-N 3.49Å; Q353-K356 PolarHBondContact O-N 3.46Å; Q353-D357 PolarHBondContact O-N 3.17Å
354	A	98.6	Very high	98	Very high	42 Å²	42	53 Å²	53	35%	0.347	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-39.1	176.2	0	0	0	0	0	112.6	W340 A350 N351 D357 F358	W340-A354 HydrophobicContact CZ2-CB 3.86Å; A350-A354 WeakPolarHBondContact O-CB 3.15Å; A350-A354 PolarHBondContact O-N 3.17Å; N351-A354 PolarHBondContact O-N 3.47Å; A354-D357 PolarHBondContact O-N 3.06Å; A354-F358 PolarHBondContact O-N 3.33Å
355	A	98.6	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-43.5	174.3	0	0	0	0	0	111.9	L319 F328 L330 W340 N351 L352 D357 F358 V359	L319-A355 HydrophobicContact CD1-CB 4.06Å; L319-A355 HydrophobicContact CD2-CB 4.23Å; F328-A355 HydrophobicContact CE2-CB 3.6Å; F328-A355 HydrophobicContact CZ-CB 3.68Å; L330-A355 HydrophobicContact CD1-CB 4.23Å; W340-A355 HydrophobicContact CD2-CB 4.31Å; W340-A355 HydrophobicContact CE3-CB 4.14Å; W340-A355 HydrophobicContact CH2-CB 3.72Å; W340-A355 HydrophobicContact CZ2-CB 3.88Å; W340-A355 HydrophobicContact CZ3-CB 3.85Å; N351-A355 WeakPolarHBondContact O-CB 3.32Å; N351-A355 PolarHBondContact O-N 2.74Å; L352-A355 PolarHBondContact O-N 2.91Å; A355-D357 PolarHBondContact O-N 3.31Å; A355-F358 WeakPolarHBondContact O-CB 3.33Å; A355-F358 PolarHBondContact O-N 2.84Å; A355-F358 VanDerWaalsContact O-N 3.14Å; A355-V359 WeakPolarHBondContact O-CG2 3.48Å; A355-V359 PolarHBondContact O-N 3.45Å
356	K	98.6	Very high	97.7	Very high	32 Å²	32	60.8 Å²	60.8	14%	0.139	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-40	174.6	-74.7	167.8	-174.5	167.5	0	111.2	L316 L319 L352 Q353 V359 R360	L316-K356 HydrophobicContact CD2-CB 3.66Å; L316-K356 HydrophobicContact CD2-CG 3.8Å; L316-K356 WeakPolarHBondContact CD2-O 3.26Å; L319-K356 HydrophobicContact CB-CG 4.11Å; L319-K356 HydrophobicContact CD1-CG 4.11Å; L352-K356 WeakPolarHBondContact O-CB 3.09Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 3.04Å; Q353-K356 PolarHBondContact O-N 3.46Å; K356-V359 PolarHBondContact O-N 3.28Å; K356-R360 WeakPolarHBondContact O-CG 3.39Å; K356-R360 PolarHBondContact O-N 2.95Å
357	D	98.4	Very high	97.6	Very high	45 Å²	45	57.7 Å²	57.7	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-66.8	-40.8	175.3	-86.2	9.3	0	0	0	113.1	Q353 A354 A355 R360 R361	Q353-D357 PolarHBondContact O-N 3.17Å; A354-D357 PolarHBondContact O-N 3.06Å; A355-D357 PolarHBondContact O-N 3.31Å; D357-R360 PolarHBondContact O-N 3.02Å; D357-R360 IonicContact OD1-CZ 3.6Å; D357-R360 IonicContact OD1-NH1 3.2Å; D357-R360 PolarHBondContact OD1-NH1 3.45Å; D357-R361 WeakPolarHBondContact O-CB 3.47Å; D357-R361 VanDerWaalsContact O-CG 3.26Å; D357-R361 WeakPolarHBondContact O-CG 3.46Å; D357-R361 PolarHBondContact O-N 3.46Å; D357-R361 VanDerWaalsContact O-N 3.16Å; D357-R361 IonicContact OD2-NH2 3.89Å; D357-R361 PolarHBondContact OD2-NH2 3.05Å
358	F	98.6	Very high	97.5	Very high	35 Å²	35	57.9 Å²	57.9	15%	0.154	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-46.7	171.9	175.9	-98.5	0	0	0	111.5	L330 L332 W340 A354 A355 R360 R361 F362	L330-F358 HydrophobicContact CB-CE1 4.27Å; L330-F358 HydrophobicContact CD1-CD1 3.89Å; L330-F358 HydrophobicContact CD1-CE1 4.39Å; L332-F358 HydrophobicContact CD1-CE1 3.71Å; L332-F358 HydrophobicContact CD1-CZ 3.57Å; L332-F358 HydrophobicContact CD2-CE1 4.42Å; L332-F358 HydrophobicContact CG-CE1 3.99Å; L332-F358 HydrophobicContact CG-CZ 4.06Å; W340-F358 HydrophobicContact CB-CD1 3.91Å; W340-F358 HydrophobicContact CB-CD2 4.48Å; W340-F358 HydrophobicContact CB-CE1 3.82Å; W340-F358 HydrophobicContact CB-CE2 4.41Å; W340-F358 HydrophobicContact CB-CG 4.24Å; W340-F358 HydrophobicContact CB-CZ 4.08Å; W340-F358 AromaticContact CD1-CD2 3.68Å; W340-F358 AromaticContact CD1-CG 3.52Å; W340-F358 HydrophobicContact CG-CB 4.37Å; W340-F358 HydrophobicContact CG-CD1 4.06Å; W340-F358 HydrophobicContact CG-CD2 4.39Å; W340-F358 HydrophobicContact CG-CE1 4.46Å; W340-F358 HydrophobicContact CG-CG 4.02Å; A354-F358 PolarHBondContact O-N 3.33Å; A355-F358 WeakPolarHBondContact O-CB 3.33Å; A355-F358 PolarHBondContact O-N 2.84Å; A355-F358 VanDerWaalsContact O-N 3.14Å; F358-R360 VanDerWaalsContact C-N 3.33Å; F358-R360 PolarHBondContact O-N 3.11Å; F358-R361 PolarHBondContact O-N 3.03Å; F358-R361 VanDerWaalsContact O-N 3.14Å; F358-F362 PolarHBondContact O-N 2.99Å
359	V	98.5	Very high	97.5	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-42.6	176.6	171	0	0	0	0	111.8	K312 L315 L316 L319 L330 A355 K356 R361 F362	K312-V359 HydrophobicContact CB-CG1 4.02Å; K312-V359 VanDerWaalsContact CD-O 3.25Å; K312-V359 WeakPolarHBondContact CD-O 3.42Å; K312-V359 WeakPolarHBondContact CE-O 3.39Å; K312-V359 HydrophobicContact CG-CG1 3.98Å; K312-V359 PolarHBondContact NZ-O 2.96Å; L315-V359 HydrophobicContact CB-CG1 4.02Å; L315-V359 HydrophobicContact CB-CG2 4.35Å; L315-V359 HydrophobicContact CD1-CG1 4.36Å; L315-V359 HydrophobicContact CD1-CG2 4.48Å; L316-V359 HydrophobicContact CD2-CB 4.17Å; L316-V359 HydrophobicContact CD2-CG1 4.03Å; L316-V359 HydrophobicContact CG-CG1 4.02Å; L319-V359 HydrophobicContact CD1-CG2 3.96Å; L330-V359 HydrophobicContact CD1-CG2 3.66Å; A355-V359 WeakPolarHBondContact O-CG2 3.48Å; A355-V359 PolarHBondContact O-N 3.45Å; K356-V359 PolarHBondContact O-N 3.28Å; V359-R361 VanDerWaalsContact C-N 3.32Å; V359-R361 PolarHBondContact O-N 3.48Å; V359-F362 HydrophobicContact CB-CE1 4.47Å; V359-F362 HydrophobicContact CG1-CE1 4.19Å; V359-F362 WeakPolarHBondContact O-CD1 3.38Å; V359-F362 VanDerWaalsContact O-CE1 3.26Å; V359-F362 WeakPolarHBondContact O-CE1 3.44Å
360	R	98.1	Very high	97.6	Very high	123 Å²	123	50.7 Å²	50.7	46%	0.464	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-41.3	177.5	-72.1	169.1	-172.5	134.3	0.6	111.6	K312 L316 K356 D357 F358	K312-R360 PolarHBondContact NZ-O 2.78Å; L316-R360 HydrophobicContact CD1-CG 4.24Å; L316-R360 HydrophobicContact CD2-CG 4.23Å; K356-R360 WeakPolarHBondContact O-CG 3.39Å; K356-R360 PolarHBondContact O-N 2.95Å; D357-R360 PolarHBondContact O-N 3.02Å; D357-R360 IonicContact OD1-CZ 3.6Å; D357-R360 IonicContact OD1-NH1 3.2Å; D357-R360 PolarHBondContact OD1-NH1 3.45Å; F358-R360 VanDerWaalsContact C-N 3.33Å; F358-R360 PolarHBondContact O-N 3.11Å
361	R	97.4	Very high	97.6	Very high	180 Å²	180	47.9 Å²	47.9	68%	0.679	24%	0.237	S	C	*	.	H	α-helix	trans	-89	-22.2	-167.1	-66.5	179.3	-137.7	-174.7	3.3	115.6	D357 F358 V359	D357-R361 WeakPolarHBondContact O-CB 3.47Å; D357-R361 VanDerWaalsContact O-CG 3.26Å; D357-R361 WeakPolarHBondContact O-CG 3.46Å; D357-R361 PolarHBondContact O-N 3.46Å; D357-R361 VanDerWaalsContact O-N 3.16Å; D357-R361 IonicContact OD2-NH2 3.89Å; D357-R361 PolarHBondContact OD2-NH2 3.05Å; F358-R361 PolarHBondContact O-N 3.03Å; F358-R361 VanDerWaalsContact O-N 3.14Å; V359-R361 VanDerWaalsContact C-N 3.32Å; V359-R361 PolarHBondContact O-N 3.48Å
362	F	97.6	Very high	97.6	Very high	17 Å²	17	47 Å²	47	8%	0.075	24%	0.237	C	C	.	.			trans	-60.4	146.4	-176.5	74.2	-109.8	0	0	0	112.1	I299 V308 K312 L332 F358 V359	I299-F362 HydrophobicContact CG2-CD2 3.76Å; I299-F362 HydrophobicContact CG2-CE2 3.54Å; I299-F362 HydrophobicContact CG2-CZ 4.29Å; V308-F362 HydrophobicContact CG2-CE2 3.76Å; V308-F362 HydrophobicContact CG2-CZ 4.2Å; K312-F362 HydrophobicContact CD-CE1 4.27Å; K312-F362 HydrophobicContact CD-CE2 4.47Å; K312-F362 HydrophobicContact CD-CZ 4.03Å; K312-F362 HydrophobicContact CG-CE1 3.81Å; K312-F362 HydrophobicContact CG-CE2 4.39Å; K312-F362 HydrophobicContact CG-CZ 3.55Å; K312-F362 PolarHBondContact NZ-O 3.07Å; L332-F362 HydrophobicContact CD1-CB 3.45Å; L332-F362 VanDerWaalsContact CD1-CB 3.45Å; L332-F362 HydrophobicContact CD1-CD1 3.84Å; L332-F362 HydrophobicContact CD1-CD2 4.13Å; L332-F362 HydrophobicContact CD1-CG 3.57Å; L332-F362 HydrophobicContact CD2-CD1 4.31Å; L332-F362 HydrophobicContact CD2-CE1 4.34Å; F358-F362 PolarHBondContact O-N 2.99Å; V359-F362 HydrophobicContact CB-CE1 4.47Å; V359-F362 HydrophobicContact CG1-CE1 4.19Å; V359-F362 WeakPolarHBondContact O-CD1 3.38Å; V359-F362 VanDerWaalsContact O-CE1 3.26Å; V359-F362 WeakPolarHBondContact O-CE1 3.44Å
363	S	95.6	Very high	97.6	Very high	94 Å²	94	46.5 Å²	46.5	66%	0.657	24%	0.235	S	C	*	.			trans	-110.8	164.7	177.3	-66.8	0	0	0	0	110.2
364	L	97.3	Very high	97.7	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.236	22%	0.217	C	C	.	.			trans	-72.7	152.3	175.1	-55.6	176.8	0	0	0	110.9	I299 M303 R304 V308	I299-L364 HydrophobicContact CB-CD2 4.31Å; I299-L364 CarbonylContact O-C 3.43Å; I299-L364 WeakPolarHBondContact O-CA 3.44Å; I299-L364 VanDerWaalsContact O-CB 3.29Å; I299-L364 WeakPolarHBondContact O-CB 3.47Å; I299-L364 WeakPolarHBondContact O-CD2 3.35Å; M303-L364 HydrophobicContact CB-CD2 4Å; R304-L364 HydrophobicContact CB-CD1 3.58Å; R304-L364 HydrophobicContact CG-CD1 4.16Å; V308-L364 HydrophobicContact CB-CD2 4.19Å; V308-L364 HydrophobicContact CG2-CD2 3.96Å
365	D	94.8	Very high	97.7	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.144	21%	0.214	C	C	.	.			trans	-134.8	65.3	-177.1	-165.5	57.8	0	0	0	110	I299 G334 S335 R336 A367	I299-D365 HydrophobicContact CD1-CB 3.8Å; I299-D365 HydrophobicContact CG1-CB 4.3Å; I299-D365 PolarHBondContact O-N 3.5Å; G334-D365 CarbonylContact C-O 3.47Å; G334-D365 VanDerWaalsContact CA-O 3.24Å; G334-D365 WeakPolarHBondContact CA-O 3.25Å; S335-D365 PolarHBondContact N-O 3.27Å; S335-D365 PolarHBondContact N-OD2 2.84Å; S335-D365 PolarHBondContact OG-O 3.02Å; R336-D365 WeakPolarHBondContact CB-OD2 3.4Å; R336-D365 IonicContact CZ-OD1 3.99Å; R336-D365 PolarHBondContact N-OD2 3.24Å; R336-D365 IonicContact NE-OD1 3.83Å; R336-D365 PolarHBondContact NE-OD1 3.44Å; R336-D365 IonicContact NE-OD2 3.84Å; R336-D365 PolarHBondContact NE-OD2 3.09Å; R336-D365 IonicContact NH2-OD1 3.89Å; R336-D365 PolarHBondContact NH2-OD1 3.09Å; D365-A367 PolarHBondContact O-N 3.33Å
366	E	94	Very high	97.7	Very high	167 Å²	167	45.8 Å²	45.8	78%	0.78	23%	0.226	S	C	*	.	S	Bend	trans	40.6	-85.1	170	-61.4	-172.4	172.6	0	0	119.2	S300 G301	S300-E366 CarbonylContact C-O 3.56Å; S300-E366 WeakPolarHBondContact CA-O 3.47Å; S300-E366 WeakPolarHBondContact CB-O 3.46Å; G301-E366 PolarHBondContact N-O 2.83Å
367	A	96.4	Very high	97.7	Very high	21 Å²	21	44.3 Å²	44.3	17%	0.174	22%	0.219	C	C	.	.	S	Bend	trans	-84.2	-169.8	-171.1	0	0	0	0	0	112.9	S300 G334 S335 D365 E408	S300-A367 VanDerWaalsContact CB-O 3.23Å; S300-A367 WeakPolarHBondContact CB-O 3.3Å; G334-A367 CarbonylContact C-O 3.47Å; G334-A367 WeakPolarHBondContact CA-O 3.15Å; S335-A367 PolarHBondContact N-O 2.96Å; S335-A367 WeakPolarHBondContact OG-CB 3.28Å; S335-A367 PolarHBondContact OG-N 3.15Å; D365-A367 PolarHBondContact O-N 3.33Å; A367-E408 HydrophobicContact CB-CB 3.85Å; A367-E408 HydrophobicContact CB-CG 4.46Å
368	T	97.1	Very high	97.7	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.043	21%	0.208	C	C	.	.			trans	-133.3	91	-173.8	-48.2	0	0	0	0	111.8	D298 S300 F333 L370 P406 T407 E408	D298-T368 WeakPolarHBondContact OD2-CG2 3.38Å; S300-T368 VanDerWaalsContact CB-OG1 3.3Å; S300-T368 WeakPolarHBondContact CB-OG1 3.24Å; F333-T368 HydrophobicContact CD2-CG2 4.18Å; F333-T368 HydrophobicContact CE2-CG2 3.73Å; T368-L370 VanDerWaalsContact C-N 3.35Å; T368-L370 PolarHBondContact O-N 2.9Å; T368-P406 WeakPolarHBondContact O-CA 3.48Å; T368-T407 WeakPolarHBondContact CB-OG1 3.31Å; T368-T407 PolarHBondContact N-OG1 3Å; T368-T407 PolarHBondContact O-N 3.32Å; T368-E408 PolarHBondContact O-N 2.87Å; T368-E408 VanDerWaalsContact O-N 3.16Å
369	N	98.3	Very high	97.7	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.15	23%	0.225	C	C	.	.			trans	-89.5	66.4	175.3	-167	-18.2	0	0	0	111.6	G334 V337 N371 G372 G373 E408	G334-N369 WeakPolarHBondContact O-CB 3.48Å; G334-N369 PolarHBondContact O-N 3.27Å; V337-N369 HydrophobicContact CG2-CB 4.48Å; N369-N371 VanDerWaalsContact C-N 3.34Å; N369-N371 PolarHBondContact O-N 3.37Å; N369-G372 PolarHBondContact O-N 3.49Å; N369-G372 WeakPolarHBondContact OD1-CA 3.41Å; N369-G372 PolarHBondContact OD1-N 2.63Å; N369-G373 PolarHBondContact O-N 2.9Å; N369-E408 WeakPolarHBondContact CA-O 3.33Å; N369-E408 HydrophobicContact CB-CB 3.98Å; N369-E408 HydrophobicContact CB-CG 4.08Å
370	L	98.4	Very high	97.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-43.7	-176.8	-176.7	71.2	0	0	0	112.5	F333 T368 G373 L374 M400 P406 F443	F333-L370 HydrophobicContact CE1-CD1 4.47Å; F333-L370 HydrophobicContact CE2-CB 4.22Å; F333-L370 HydrophobicContact CE2-CD1 3.73Å; F333-L370 HydrophobicContact CZ-CD1 3.6Å; T368-L370 VanDerWaalsContact C-N 3.35Å; T368-L370 PolarHBondContact O-N 2.9Å; L370-G373 PolarHBondContact O-N 3.4Å; L370-L374 HydrophobicContact CD1-CD1 4.22Å; L370-L374 HydrophobicContact CD1-CG 4.48Å; L370-L374 HydrophobicContact CD2-CD1 4.48Å; L370-L374 HydrophobicContact CG-CD1 3.94Å; L370-L374 WeakPolarHBondContact O-CB 3.45Å; L370-L374 WeakPolarHBondContact O-CG 3.48Å; L370-L374 PolarHBondContact O-N 2.54Å; L370-M400 HydrophobicContact CD1-CE 3.84Å; L370-M400 HydrophobicContact CD1-CG 4.27Å; L370-M400 HydrophobicContact CD1-SD 3.73Å; L370-P406 HydrophobicContact CB-CB 4.01Å; L370-F443 HydrophobicContact CD2-CE1 3.63Å; L370-F443 HydrophobicContact CD2-CZ 4.03Å
371	N	98.7	Very high	97.7	Very high	14 Å²	14	39.9 Å²	39.9	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-47.5	-179.2	179.1	83.8	0	0	0	111.4	N369 L375 V410 I416 N419	N369-N371 VanDerWaalsContact C-N 3.34Å; N369-N371 PolarHBondContact O-N 3.37Å; N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 WeakPolarHBondContact O-CB 3.49Å; N371-L375 VanDerWaalsContact O-CG 3.3Å; N371-L375 WeakPolarHBondContact O-CG 3.3Å; N371-L375 PolarHBondContact O-N 3.02Å; N371-V410 HydrophobicContact CB-CB 3.92Å; N371-I416 HydrophobicContact CB-CD1 4.46Å; N371-I416 HydrophobicContact CB-CG1 4.1Å; N371-N419 PolarHBondContact OD1-ND2 2.85Å
372	G	98.5	Very high	97.7	Very high	18 Å²	18	32.8 Å²	32.8	19%	0.186	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-45.4	178.1	0	0	0	0	0	112.1	N369 L374 L375 Q376	N369-G372 PolarHBondContact O-N 3.49Å; N369-G372 WeakPolarHBondContact OD1-CA 3.41Å; N369-G372 PolarHBondContact OD1-N 2.63Å; G372-L374 PolarHBondContact O-N 3.39Å; G372-L375 PolarHBondContact O-N 3.38Å; G372-Q376 WeakPolarHBondContact O-CB 3.26Å; G372-Q376 PolarHBondContact O-N 3.24Å
373	G	98.6	Very high	97.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-46.4	178	0	0	0	0	0	113	V296 N369 L370 Q376 G377	V296-G373 WeakPolarHBondContact CG1-O 3.42Å; N369-G373 PolarHBondContact O-N 2.9Å; L370-G373 PolarHBondContact O-N 3.4Å; G373-Q376 PolarHBondContact O-N 3.3Å; G373-G377 PolarHBondContact O-N 2.92Å; G373-G377 VanDerWaalsContact O-N 3.08Å
374	L	98.8	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-49.2	176.8	-76.9	170.3	0	0	0	111.6	L370 G372 Q376 G377 I378 M400 I416 V420 L430 M447	L370-L374 HydrophobicContact CD1-CD1 4.22Å; L370-L374 HydrophobicContact CD1-CG 4.48Å; L370-L374 HydrophobicContact CD2-CD1 4.48Å; L370-L374 HydrophobicContact CG-CD1 3.94Å; L370-L374 WeakPolarHBondContact O-CB 3.45Å; L370-L374 WeakPolarHBondContact O-CG 3.48Å; L370-L374 PolarHBondContact O-N 2.54Å; G372-L374 PolarHBondContact O-N 3.39Å; L374-Q376 VanDerWaalsContact C-N 3.3Å; L374-Q376 PolarHBondContact O-N 3.39Å; L374-G377 PolarHBondContact O-N 2.97Å; L374-I378 HydrophobicContact CB-CD1 4.46Å; L374-I378 WeakPolarHBondContact O-CB 3.37Å; L374-I378 VanDerWaalsContact O-CD1 3.3Å; L374-I378 WeakPolarHBondContact O-CD1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.36Å; L374-M400 HydrophobicContact CD2-CB 3.9Å; L374-M400 HydrophobicContact CD2-CG 3.81Å; L374-M400 HydrophobicContact CG-CG 4.42Å; L374-I416 HydrophobicContact CD1-CG2 4.5Å; L374-V420 HydrophobicContact CB-CG2 4.15Å; L374-V420 HydrophobicContact CD1-CG2 3.81Å; L374-L430 HydrophobicContact CD2-CD1 4.1Å; L374-L430 HydrophobicContact CD2-CD2 4.37Å; L374-M447 HydrophobicContact CD1-CE 3.96Å; L374-M447 HydrophobicContact CD1-SD 3.55Å; L374-M447 VanDerWaalsContact CD1-SD 3.55Å
375	L	98.8	Very high	97	Very high	56 Å²	56	32.9 Å²	32.9	29%	0.293	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-38.4	179.9	-70.7	179.1	0	0	0	112	N371 G372 I378 E379 N419 A423	N371-L375 WeakPolarHBondContact ND2-CD1 3.49Å; N371-L375 WeakPolarHBondContact O-CB 3.49Å; N371-L375 VanDerWaalsContact O-CG 3.3Å; N371-L375 WeakPolarHBondContact O-CG 3.3Å; N371-L375 PolarHBondContact O-N 3.02Å; G372-L375 PolarHBondContact O-N 3.38Å; L375-I378 HydrophobicContact CD2-CD1 4.45Å; L375-I378 PolarHBondContact O-N 2.89Å; L375-E379 WeakPolarHBondContact O-CB 3.35Å; L375-E379 PolarHBondContact O-N 3.3Å; L375-N419 HydrophobicContact CD2-CB 4.35Å; L375-A423 HydrophobicContact CD2-CB 3.79Å
376	Q	98.8	Very high	96.6	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175.5	-174.9	63.8	75.7	0	0	112	V331 V337 G372 G373 L374 I378 E379 I380	V331-Q376 HydrophobicContact CG1-CB 4.13Å; V331-Q376 HydrophobicContact CG1-CG 4.13Å; V331-Q376 HydrophobicContact CG2-CG 4.17Å; V337-Q376 HydrophobicContact CG1-CB 3.76Å; V337-Q376 HydrophobicContact CG1-CG 3.98Å; G372-Q376 WeakPolarHBondContact O-CB 3.26Å; G372-Q376 PolarHBondContact O-N 3.24Å; G373-Q376 PolarHBondContact O-N 3.3Å; L374-Q376 VanDerWaalsContact C-N 3.3Å; L374-Q376 PolarHBondContact O-N 3.39Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-E379 PolarHBondContact NE2-OE2 2.9Å; Q376-E379 PolarHBondContact O-N 3.27Å; Q376-I380 HydrophobicContact CG-CD1 4.24Å; Q376-I380 WeakPolarHBondContact O-CD1 3.39Å; Q376-I380 WeakPolarHBondContact O-CG1 2.93Å; Q376-I380 PolarHBondContact O-N 3.42Å; Q376-I380 VanDerWaalsContact O-N 3.08Å
377	G	98.7	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-37.6	177.2	0	0	0	0	0	112.8	G373 L374 L381	G373-G377 PolarHBondContact O-N 2.92Å; G373-G377 VanDerWaalsContact O-N 3.08Å; L374-G377 PolarHBondContact O-N 2.97Å; G377-L381 PolarHBondContact O-N 3.21Å
378	I	98.7	Very high	96	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-41.4	175.6	-65.7	160.1	0	0	0	110.9	L374 L375 Q376 L381 N382 L398 V420 A423 I424 F428	L374-I378 HydrophobicContact CB-CD1 4.46Å; L374-I378 WeakPolarHBondContact O-CB 3.37Å; L374-I378 VanDerWaalsContact O-CD1 3.3Å; L374-I378 WeakPolarHBondContact O-CD1 3.27Å; L374-I378 WeakPolarHBondContact O-CG1 3.47Å; L374-I378 PolarHBondContact O-N 3.36Å; L375-I378 HydrophobicContact CD2-CD1 4.45Å; L375-I378 PolarHBondContact O-N 2.89Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; I378-L381 PolarHBondContact O-N 3.36Å; I378-N382 WeakPolarHBondContact CG2-ND2 3.37Å; I378-N382 WeakPolarHBondContact O-CB 3.27Å; I378-N382 PolarHBondContact O-N 3.44Å; I378-N382 PolarHBondContact O-ND2 3.39Å; I378-L398 HydrophobicContact CD1-CD2 4.29Å; I378-L398 HydrophobicContact CG1-CD2 3.46Å; I378-L398 VanDerWaalsContact CG1-CD2 3.46Å; I378-V420 HydrophobicContact CD1-CB 4.44Å; I378-V420 HydrophobicContact CD1-CG1 4.05Å; I378-V420 HydrophobicContact CD1-CG2 4.44Å; I378-A423 HydrophobicContact CB-CB 4.46Å; I378-A423 HydrophobicContact CD1-CB 4.25Å; I378-A423 HydrophobicContact CG2-CB 3.6Å; I378-I424 HydrophobicContact CD1-CD1 4.03Å; I378-I424 HydrophobicContact CD1-CG1 3.74Å; I378-I424 HydrophobicContact CG1-CD1 4.13Å; I378-I424 HydrophobicContact CG1-CG1 3.74Å; I378-I424 HydrophobicContact CG2-CG1 3.99Å; I378-F428 HydrophobicContact CG2-CZ 4.15Å
379	E	98.3	Very high	95.7	Very high	108 Å²	108	39.7 Å²	39.7	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-48.8	175.7	-176.6	-176	-159.8	0	0	111	L375 Q376 L381 N382 Q383	L375-E379 WeakPolarHBondContact O-CB 3.35Å; L375-E379 PolarHBondContact O-N 3.3Å; Q376-E379 PolarHBondContact NE2-OE2 2.9Å; Q376-E379 PolarHBondContact O-N 3.27Å; E379-L381 VanDerWaalsContact C-N 3.34Å; E379-L381 PolarHBondContact O-N 3.01Å; E379-N382 PolarHBondContact O-N 2.99Å; E379-Q383 PolarHBondContact O-N 3.49Å
380	I	98.6	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-45.4	177.7	-68.5	160.2	0	0	0	111.3	V294 D329 V331 L344 Q376 N382 Q383	V294-I380 HydrophobicContact CG2-CB 4.37Å; V294-I380 HydrophobicContact CG2-CG2 3.84Å; D329-I380 HydrophobicContact CB-CG2 4.11Å; D329-I380 WeakPolarHBondContact OD2-CD1 3.42Å; V331-I380 HydrophobicContact CG2-CD1 3.65Å; L344-I380 HydrophobicContact CD2-CG2 4.18Å; L344-I380 HydrophobicContact CG-CG2 4.03Å; Q376-I380 HydrophobicContact CG-CD1 4.24Å; Q376-I380 WeakPolarHBondContact O-CD1 3.39Å; Q376-I380 WeakPolarHBondContact O-CG1 2.93Å; Q376-I380 PolarHBondContact O-N 3.42Å; Q376-I380 VanDerWaalsContact O-N 3.08Å; I380-N382 VanDerWaalsContact C-N 3.32Å; I380-N382 PolarHBondContact O-N 3.39Å; I380-Q383 WeakPolarHBondContact O-CB 3.5Å; I380-Q383 PolarHBondContact O-N 3Å
381	L	98.1	Very high	95.2	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-31.9	176.2	-74.6	174.9	0	0	0	112.8	N292 V294 L344 G377 I378 E379 Q383 V384 L398 F428	N292-L381 HydrophobicContact CB-CD2 3.89Å; V294-L381 HydrophobicContact CB-CD1 4.41Å; V294-L381 HydrophobicContact CB-CG 4.25Å; V294-L381 HydrophobicContact CG2-CD1 4.41Å; V294-L381 HydrophobicContact CG2-CD2 3.83Å; V294-L381 HydrophobicContact CG2-CG 3.74Å; L344-L381 HydrophobicContact CD1-CD2 4.44Å; L344-L381 HydrophobicContact CD2-CD2 4.22Å; G377-L381 PolarHBondContact O-N 3.21Å; I378-L381 PolarHBondContact O-N 3.36Å; E379-L381 VanDerWaalsContact C-N 3.34Å; E379-L381 PolarHBondContact O-N 3.01Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-V384 WeakPolarHBondContact O-CB 3.24Å; L381-V384 VanDerWaalsContact O-CG2 3.31Å; L381-V384 WeakPolarHBondContact O-CG2 3.43Å; L381-V384 PolarHBondContact O-N 3.03Å; L381-L398 HydrophobicContact CD1-CB 3.84Å; L381-L398 HydrophobicContact CD1-CD1 4.05Å; L381-L398 HydrophobicContact CD1-CG 4.44Å; L381-F428 HydrophobicContact CB-CD1 4.44Å; L381-F428 HydrophobicContact CB-CE1 3.71Å; L381-F428 HydrophobicContact CB-CE2 4.41Å; L381-F428 HydrophobicContact CB-CZ 3.68Å; L381-F428 HydrophobicContact CD1-CD1 4.48Å; L381-F428 HydrophobicContact CD1-CD2 3.91Å; L381-F428 HydrophobicContact CD1-CE1 4.2Å; L381-F428 HydrophobicContact CD1-CE2 3.57Å; L381-F428 HydrophobicContact CD1-CG 4.35Å; L381-F428 HydrophobicContact CD1-CZ 3.73Å; L381-F428 HydrophobicContact CG-CZ 4.37Å
382	N	97.3	Very high	94.9	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.16	25%	0.248	C	C	.	.	H	α-helix	trans	-74.7	-19.2	178.7	-75.1	-25.4	0	0	0	113.4	I378 E379 I380 V384 Q385 A423 R427	I378-N382 WeakPolarHBondContact CG2-ND2 3.37Å; I378-N382 WeakPolarHBondContact O-CB 3.27Å; I378-N382 PolarHBondContact O-N 3.44Å; I378-N382 PolarHBondContact O-ND2 3.39Å; E379-N382 PolarHBondContact O-N 2.99Å; I380-N382 VanDerWaalsContact C-N 3.32Å; I380-N382 PolarHBondContact O-N 3.39Å; N382-V384 PolarHBondContact O-N 3.07Å; N382-V384 VanDerWaalsContact O-N 3.11Å; N382-Q385 WeakPolarHBondContact O-CB 3.17Å; N382-Q385 PolarHBondContact O-N 2.98Å; N382-A423 PolarHBondContact ND2-O 2.82Å; N382-A423 VanDerWaalsContact ND2-O 3.07Å; N382-R427 VanDerWaalsContact CG-CZ 3.48Å; N382-R427 VanDerWaalsContact CG-NH2 3.29Å; N382-R427 PolarHBondContact ND2-NH2 2.92Å; N382-R427 PolarHBondContact OD1-NE 2.9Å; N382-R427 PolarHBondContact OD1-NH1 3.41Å; N382-R427 PolarHBondContact OD1-NH2 3.35Å; N382-R427 VanDerWaalsContact OD1-NH2 3.1Å
383	Q	95.3	Very high	94.6	Very high	41 Å²	41	50 Å²	50	19%	0.192	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.1	-25.8	172.4	-69	169.7	2.9	0	0	112.2	G342 S343 E379 I380 L381 Q385 E386 S387 L388	G342-Q383 PolarHBondContact O-NE2 3.13Å; S343-Q383 VanDerWaalsContact CB-OE1 3.3Å; E379-Q383 PolarHBondContact O-N 3.49Å; I380-Q383 WeakPolarHBondContact O-CB 3.5Å; I380-Q383 PolarHBondContact O-N 3Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; Q383-Q385 PolarHBondContact O-N 2.91Å; Q383-Q385 VanDerWaalsContact O-N 3.15Å; Q383-E386 PolarHBondContact O-N 3.44Å; Q383-E386 VanDerWaalsContact O-N 3.1Å; Q383-S387 PolarHBondContact O-N 2.94Å; Q383-L388 PolarHBondContact O-N 3.36Å
384	V	93.6	Very high	94.5	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-57.6	-25.6	174.3	177.7	0	0	0	0	112.8	L344 L381 N382 L388 P389 L391 S392	L344-V384 HydrophobicContact CD1-CG2 3.32Å; L381-V384 WeakPolarHBondContact O-CB 3.24Å; L381-V384 VanDerWaalsContact O-CG2 3.31Å; L381-V384 WeakPolarHBondContact O-CG2 3.43Å; L381-V384 PolarHBondContact O-N 3.03Å; N382-V384 PolarHBondContact O-N 3.07Å; N382-V384 VanDerWaalsContact O-N 3.11Å; V384-L388 CarbonylContact O-C 3.57Å; V384-P389 WeakPolarHBondContact O-CA 3.44Å; V384-L391 VanDerWaalsContact CG1-C 3.46Å; V384-L391 HydrophobicContact CG1-CB 4.02Å; V384-L391 HydrophobicContact CG2-CB 4.21Å; V384-S392 VanDerWaalsContact CG1-CA 3.45Å
385	Q	87.7	Confident	94.5	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-77.9	-25.3	179.6	-61.5	-64.9	-59.1	0	0	113.2	N382 Q383	N382-Q385 WeakPolarHBondContact O-CB 3.17Å; N382-Q385 PolarHBondContact O-N 2.98Å; Q383-Q385 PolarHBondContact O-N 2.91Å; Q383-Q385 VanDerWaalsContact O-N 3.15Å
386	E	85.3	Confident	94.4	Very high	171 Å²	171	49.3 Å²	49.3	80%	0.799	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-57.5	-169.5	-64.6	179.6	-168.5	0	0	111.4	Q383	Q383-E386 PolarHBondContact O-N 3.44Å; Q383-E386 VanDerWaalsContact O-N 3.1Å
387	S	87.8	Confident	94.4	Very high	84 Å²	84	47 Å²	47	59%	0.587	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-24.5	-171.7	-48.9	0	0	0	0	114.4	Q383 P389	Q383-S387 PolarHBondContact O-N 2.94Å; S387-P389 VanDerWaalsContact C-CD 3.49Å
388	L	91.5	Very high	94.4	Very high	38 Å²	38	47 Å²	47	20%	0.199	25%	0.25	C	S	.	.			trans	-132.7	56	-176.7	-59.6	171.2	0	0	0	112.3	L344 Q383 V384 E390 L391	L344-L388 HydrophobicContact CB-CD1 4.12Å; Q383-L388 PolarHBondContact O-N 3.36Å; V384-L388 CarbonylContact O-C 3.57Å; L388-E390 WeakPolarHBondContact CA-OE2 3.43Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.41Å; L388-E390 PolarHBondContact O-N 3.21Å; L388-L391 HydrophobicContact CB-CD1 4.04Å; L388-L391 HydrophobicContact CB-CG 4.29Å; L388-L391 HydrophobicContact CD1-CD1 4.09Å; L388-L391 PolarHBondContact O-N 3.49Å; L388-L391 VanDerWaalsContact O-N 3.1Å
389	P	91	Very high	94.4	Very high	73 Å²	73	47.3 Å²	47.3	47%	0.474	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.5	-174	28.2	-36.7	0	0	0	113.9	V384 S387 L391 S392	V384-P389 WeakPolarHBondContact O-CA 3.44Å; S387-P389 VanDerWaalsContact C-CD 3.49Å; P389-L391 PolarHBondContact O-N 3.38Å; P389-S392 WeakPolarHBondContact O-CB 3.45Å; P389-S392 PolarHBondContact O-N 3.49Å; P389-S392 VanDerWaalsContact O-N 3.11Å; P389-S392 PolarHBondContact O-OG 3.41Å
390	E	91.6	Very high	94.5	Very high	115 Å²	115	42.1 Å²	42.1	54%	0.537	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-61.1	-22.8	175	69.2	-78.9	-173	0	0	113	L388	L388-E390 WeakPolarHBondContact CA-OE2 3.43Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.41Å; L388-E390 PolarHBondContact O-N 3.21Å
391	L	93.8	Very high	94.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-93.3	3.4	179.1	-50.2	-178.6	0	0	0	113	N292 Y327 L344 V384 L388 P389 N393 H394	N292-L391 PolarHBondContact ND2-O 2.87Å; Y327-L391 HydrophobicContact CD1-CD1 3.57Å; Y327-L391 HydrophobicContact CD1-CD2 4.04Å; Y327-L391 HydrophobicContact CD1-CG 4.48Å; Y327-L391 HydrophobicContact CD2-CD2 3.8Å; Y327-L391 HydrophobicContact CE1-CD1 3.93Å; Y327-L391 HydrophobicContact CE1-CD2 3.82Å; Y327-L391 HydrophobicContact CE2-CD2 3.6Å; Y327-L391 HydrophobicContact CG-CD1 3.9Å; Y327-L391 HydrophobicContact CG-CD2 4.03Å; L344-L391 HydrophobicContact CB-CD1 4.19Å; L344-L391 HydrophobicContact CD1-CD1 4.15Å; V384-L391 VanDerWaalsContact CG1-C 3.46Å; V384-L391 HydrophobicContact CG1-CB 4.02Å; V384-L391 HydrophobicContact CG2-CB 4.21Å; L388-L391 HydrophobicContact CB-CD1 4.04Å; L388-L391 HydrophobicContact CB-CG 4.29Å; L388-L391 HydrophobicContact CD1-CD1 4.09Å; L388-L391 PolarHBondContact O-N 3.49Å; L388-L391 VanDerWaalsContact O-N 3.1Å; P389-L391 PolarHBondContact O-N 3.38Å; L391-N393 VanDerWaalsContact C-N 3.28Å; L391-N393 PolarHBondContact O-N 2.91Å; L391-H394 WeakPolarHBondContact O-CB 3.24Å; L391-H394 PolarHBondContact O-N 3.45Å; L391-H394 VanDerWaalsContact O-N 3.15Å
392	S	91.8	Very high	94.5	Very high	64 Å²	64	42.2 Å²	42.2	45%	0.448	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.5	-173.8	59.2	0	0	0	0	114.3	V384 P389 H394	V384-S392 VanDerWaalsContact CG1-CA 3.45Å; P389-S392 WeakPolarHBondContact O-CB 3.45Å; P389-S392 PolarHBondContact O-N 3.49Å; P389-S392 VanDerWaalsContact O-N 3.11Å; P389-S392 PolarHBondContact O-OG 3.41Å; S392-H394 VanDerWaalsContact C-N 3.31Å
393	N	93.3	Very high	94.4	Very high	94 Å²	94	40.8 Å²	40.8	50%	0.503	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.6	176.7	-67	-34.5	0	0	0	113.4	M289 L391 E532	M289-N393 WeakPolarHBondContact CE-O 3.37Å; L391-N393 VanDerWaalsContact C-N 3.28Å; L391-N393 PolarHBondContact O-N 2.91Å; N393-E532 HydrophobicContact CB-CG 4.26Å
394	H	96.6	Very high	94.4	Very high	23 Å²	23	39.3 Å²	39.3	11%	0.106	22%	0.216	C	C	.	.	S	Bend	trans	-77.4	148.5	177.4	-63.9	-179.9	0	0	0	111.4	N290 N292 Y327 L391 S392 S396 E532	N290-H394 CarbonylContact O-C 3.59Å; N290-H394 VanDerWaalsContact O-CA 3.31Å; N290-H394 WeakPolarHBondContact O-CA 3.49Å; N290-H394 WeakPolarHBondContact O-CB 3.26Å; N292-H394 PolarHBondContact OD1-ND1 3.09Å; Y327-H394 AromaticContact CD2-CE1 3.83Å; L391-H394 WeakPolarHBondContact O-CB 3.24Å; L391-H394 PolarHBondContact O-N 3.45Å; L391-H394 VanDerWaalsContact O-N 3.15Å; S392-H394 VanDerWaalsContact C-N 3.31Å; H394-S396 PolarHBondContact O-N 3.38Å; H394-S396 VanDerWaalsContact O-N 3.15Å; H394-E532 IonicContact CD2-OE1 2.98Å; H394-E532 IonicContact NE2-OE1 2.6Å
395	A	97.4	Very high	94.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	106.8	172.6	0	0	0	0	0	110.4	M289 N290 K291 N292 P478 V481	M289-A395 HydrophobicContact CB-CB 4.49Å; M289-A395 HydrophobicContact CE-CB 4.3Å; N290-A395 PolarHBondContact O-N 3.01Å; K291-A395 WeakPolarHBondContact CA-O 3.42Å; K291-A395 HydrophobicContact CB-CB 4.45Å; K291-A395 WeakPolarHBondContact CB-O 3.32Å; N292-A395 PolarHBondContact N-O 3.46Å; N292-A395 VanDerWaalsContact N-O 3.09Å; A395-P478 HydrophobicContact CB-CB 3.57Å; A395-P478 HydrophobicContact CB-CG 3.41Å; A395-P478 VanDerWaalsContact CB-CG 3.41Å; A395-V481 HydrophobicContact CB-CG1 3.94Å
396	S	98.2	Very high	95	Very high	18 Å²	18	36.6 Å²	36.6	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.8	178.4	-64.2	0	0	0	0	111.7	N292 H394 F428 P429 Q502	N292-S396 PolarHBondContact ND2-OG 3.18Å; N292-S396 CarbonylContact O-C 3.5Å; N292-S396 VanDerWaalsContact O-CA 3.3Å; N292-S396 WeakPolarHBondContact O-CA 3.46Å; H394-S396 PolarHBondContact O-N 3.38Å; H394-S396 VanDerWaalsContact O-N 3.15Å; S396-F428 VanDerWaalsContact O-CB 3.27Å; S396-F428 WeakPolarHBondContact O-CB 3.43Å; S396-P429 WeakPolarHBondContact O-CD 3.45Å; S396-Q502 PolarHBondContact O-NE2 2.89Å
397	I	98.5	Very high	95.5	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.6	-177	-57.4	178.2	0	0	0	109.6	K291 N292 V293 V294 I399 Y431 V475 P478 Y504	K291-I397 HydrophobicContact CD-CD1 4.23Å; N292-I397 PolarHBondContact O-N 3.43Å; V293-I397 WeakPolarHBondContact CA-O 3.32Å; V293-I397 HydrophobicContact CG2-CB 4.42Å; V294-I397 PolarHBondContact N-O 2.87Å; V294-I397 VanDerWaalsContact N-O 3.12Å; I397-I399 HydrophobicContact CG2-CD1 4.3Å; I397-I399 HydrophobicContact CG2-CG1 3.97Å; I397-Y431 HydrophobicContact CG2-CD2 3.8Å; I397-Y431 HydrophobicContact CG2-CE2 3.93Å; I397-V475 WeakPolarHBondContact CD1-O 3.33Å; I397-P478 HydrophobicContact CD1-CG 4.47Å; I397-Y504 HydrophobicContact CD1-CE1 3.97Å
398	L	98.8	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	172.6	-171.7	61.8	0	0	0	109.9	V294 V296 I378 L381 I424 F428 P429 L430 Y431	V294-L398 HydrophobicContact CB-CD1 3.86Å; V294-L398 HydrophobicContact CG1-CD1 4.06Å; V296-L398 HydrophobicContact CG2-CD1 3.67Å; I378-L398 HydrophobicContact CD1-CD2 4.29Å; I378-L398 HydrophobicContact CG1-CD2 3.46Å; I378-L398 VanDerWaalsContact CG1-CD2 3.46Å; L381-L398 HydrophobicContact CD1-CB 3.84Å; L381-L398 HydrophobicContact CD1-CD1 4.05Å; L381-L398 HydrophobicContact CD1-CG 4.44Å; L398-I424 HydrophobicContact CD2-CD1 4.43Å; L398-F428 HydrophobicContact CB-CD2 4.16Å; L398-F428 HydrophobicContact CB-CE2 4.06Å; L398-F428 HydrophobicContact CD2-CE2 4.16Å; L398-P429 PolarHBondContact N-O 3.14Å; L398-P429 VanDerWaalsContact N-O 3.13Å; L398-L430 HydrophobicContact CB-CD1 4.13Å; L398-L430 HydrophobicContact CD2-CD1 3.79Å; L398-L430 HydrophobicContact CG-CD1 3.77Å; L398-Y431 PolarHBondContact O-N 3.33Å
399	I	98.8	Very high	96.2	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.9	177.4	-60.6	173.1	0	0	0	108.5	V293 V294 F295 V296 I397 Y431 L433 Y472 V475	V293-I399 HydrophobicContact CG2-CD1 4.35Å; V294-I399 PolarHBondContact O-N 2.83Å; F295-I399 CarbonylContact C-O 3.58Å; F295-I399 WeakPolarHBondContact CA-O 3.33Å; F295-I399 HydrophobicContact CD1-CB 4.1Å; F295-I399 HydrophobicContact CD1-CD1 4.36Å; F295-I399 HydrophobicContact CD1-CG2 4.33Å; F295-I399 HydrophobicContact CE1-CB 4.42Å; F295-I399 HydrophobicContact CE1-CD1 3.82Å; V296-I399 PolarHBondContact N-O 2.92Å; I397-I399 HydrophobicContact CG2-CD1 4.3Å; I397-I399 HydrophobicContact CG2-CG1 3.97Å; I399-Y431 WeakPolarHBondContact CA-O 3.41Å; I399-Y431 HydrophobicContact CG1-CD2 4.37Å; I399-L433 HydrophobicContact CG2-CD1 3.87Å; I399-L433 HydrophobicContact CG2-CG 4.28Å; I399-Y472 HydrophobicContact CD1-CD2 3.86Å; I399-Y472 HydrophobicContact CD1-CE2 4.27Å; I399-V475 HydrophobicContact CD1-CG2 4.24Å
400	M	98.8	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.1	176.4	-173.2	-81.5	-67.8	0	0	110.4	V296 F333 L370 L374 T402 L430 Y431 N432 L433 L444	V296-M400 HydrophobicContact CB-CB 4.18Å; V296-M400 HydrophobicContact CB-CG 4.05Å; V296-M400 HydrophobicContact CG1-CG 4.08Å; V296-M400 CarbonylContact O-C 3.6Å; V296-M400 VanDerWaalsContact O-CA 3.24Å; V296-M400 WeakPolarHBondContact O-CA 3.46Å; F333-M400 HydrophobicContact CE1-CG 4.33Å; F333-M400 HydrophobicContact CZ-SD 4.2Å; L370-M400 HydrophobicContact CD1-CE 3.84Å; L370-M400 HydrophobicContact CD1-CG 4.27Å; L370-M400 HydrophobicContact CD1-SD 3.73Å; L374-M400 HydrophobicContact CD2-CB 3.9Å; L374-M400 HydrophobicContact CD2-CG 3.81Å; L374-M400 HydrophobicContact CG-CG 4.42Å; M400-T402 HydrophobicContact CE-CG2 3.81Å; M400-T402 HydrophobicContact SD-CG2 3.62Å; M400-L430 HydrophobicContact CB-CD1 4.29Å; M400-Y431 PolarHBondContact N-O 3.44Å; M400-N432 HydrophobicContact CE-CB 3.95Å; M400-N432 WeakPolarHBondContact CE-OD1 3.33Å; M400-N432 CarbonylContact O-C 3.5Å; M400-L433 WeakPolarHBondContact O-CB 3.44Å; M400-L433 PolarHBondContact O-N 2.99Å; M400-L444 HydrophobicContact CE-CD2 3.66Å
401	L	98.8	Very high	96.8	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.5	173.6	176.7	72.7	0	0	0	109.8	V296 I297 D298 M303 T311 L433 F435 I458 L468	V296-L401 PolarHBondContact O-N 3.03Å; I297-L401 HydrophobicContact CD1-CB 3.94Å; I297-L401 HydrophobicContact CD1-CD2 4.41Å; D298-L401 VanDerWaalsContact CB-O 3.23Å; D298-L401 WeakPolarHBondContact CB-O 3.14Å; D298-L401 PolarHBondContact N-O 3.43Å; M303-L401 HydrophobicContact CE-CD2 4.49Å; T311-L401 HydrophobicContact CG2-CD2 3.42Å; T311-L401 VanDerWaalsContact CG2-CD2 3.42Å; T311-L401 WeakPolarHBondContact OG1-CD2 3.4Å; L401-L433 WeakPolarHBondContact CA-O 3.46Å; L401-L433 HydrophobicContact CB-CB 4.29Å; L401-L433 HydrophobicContact CD1-CB 3.51Å; L401-L433 HydrophobicContact CD1-CD1 4.46Å; L401-F435 HydrophobicContact CD1-CB 4.03Å; L401-F435 HydrophobicContact CD1-CD1 4.07Å; L401-F435 HydrophobicContact CD1-CG 4.45Å; L401-F435 HydrophobicContact CD2-CD1 4.37Å; L401-I458 HydrophobicContact CD1-CG1 4.5Å; L401-L468 HydrophobicContact CD1-CD2 3.96Å; L401-L468 HydrophobicContact CD2-CD2 4.41Å
402	T	98.3	Very high	97	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.9	176.2	-177	0	0	0	0	111.8	D298 M400 G404 L433 F435 V439 L444	D298-T402 WeakPolarHBondContact OD2-CB 3.33Å; D298-T402 PolarHBondContact OD2-OG1 3.35Å; M400-T402 HydrophobicContact CE-CG2 3.81Å; M400-T402 HydrophobicContact SD-CG2 3.62Å; T402-G404 PolarHBondContact OG1-N 2.86Å; T402-G404 PolarHBondContact OG1-O 2.94Å; T402-L433 PolarHBondContact N-O 3.27Å; T402-F435 PolarHBondContact O-N 3.07Å; T402-V439 HydrophobicContact CG2-CG2 4.14Å; T402-L444 HydrophobicContact CG2-CD1 4.03Å; T402-L444 HydrophobicContact CG2-CD2 4.28Å
403	D	96.5	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-110.3	4.9	175.1	80.5	-30.3	0	0	0	113.9	S300 S302 M303 K307 F435	S300-D403 PolarHBondContact OG-OD1 2.99Å; S302-D403 WeakPolarHBondContact CB-OD2 3.46Å; S302-D403 PolarHBondContact OG-OD1 3.15Å; S302-D403 PolarHBondContact OG-OD2 3.34Å; M303-D403 HydrophobicContact CG-CB 4.46Å; M303-D403 PolarHBondContact N-OD2 3.16Å; M303-D403 HydrophobicContact SD-CB 3.58Å; M303-D403 VanDerWaalsContact SD-CB 3.58Å; K307-D403 HydrophobicContact CD-CB 3.92Å; K307-D403 WeakPolarHBondContact CE-OD2 3.11Å; K307-D403 IonicContact NZ-OD2 2.94Å; K307-D403 PolarHBondContact NZ-OD2 3.35Å; D403-F435 VanDerWaalsContact CA-O 3.31Å; D403-F435 WeakPolarHBondContact CA-O 3.48Å; D403-F435 HydrophobicContact CB-CB 4.04Å; D403-F435 WeakPolarHBondContact CB-O 3.38Å
404	G	94.3	Very high	97.1	Very high	10 Å²	10	34.9 Å²	34.9	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-154.6	174.3	-173.9	0	0	0	0	0	113.9	T402	T402-G404 PolarHBondContact OG1-N 2.86Å; T402-G404 PolarHBondContact OG1-O 2.94Å
405	D	96.2	Very high	97.1	Very high	47 Å²	47	37.1 Å²	37.1	25%	0.251	22%	0.216	S	C	.	.			trans	-82.6	158.6	176.5	-77.4	-13.1	0	0	0	111.7	T407 R413 D440	D405-T407 PolarHBondContact O-N 2.86Å; D405-R413 IonicContact OD2-CZ 3.57Å; D405-R413 IonicContact OD2-NH2 3.43Å; D405-R413 PolarHBondContact OD2-NH2 2.79Å; D405-D440 WeakPolarHBondContact OD1-CB 3.26Å; D405-D440 PolarHBondContact OD1-N 2.84Å
406	P	97.3	Very high	97.1	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.078	22%	0.216	C	C	.	.			trans	-63	127.8	176.4	26.7	-35.7	0	0	0	111.8	T368 L370 T411 I416	T368-P406 WeakPolarHBondContact O-CA 3.48Å; L370-P406 HydrophobicContact CB-CB 4.01Å; P406-T411 HydrophobicContact CB-CG2 4.45Å; P406-T411 WeakPolarHBondContact O-CG2 3.25Å; P406-I416 HydrophobicContact CB-CD1 3.94Å; P406-I416 HydrophobicContact CG-CD1 3.7Å
407	T	97.3	Very high	97.1	Very high	89 Å²	89	37.6 Å²	37.6	55%	0.546	22%	0.217	S	C	.	.			trans	-124.4	-12.3	-178.7	52.2	0	0	0	0	114	T368 D405	T368-T407 WeakPolarHBondContact CB-OG1 3.31Å; T368-T407 PolarHBondContact N-OG1 3Å; T368-T407 PolarHBondContact O-N 3.32Å; D405-T407 PolarHBondContact O-N 2.86Å
408	E	97.5	Very high	97	Very high	85 Å²	85	42 Å²	42	40%	0.397	24%	0.236	S	C	.	.	S	Bend	trans	-129	149.6	-178.1	-176.4	60.5	-121.2	0	0	110.8	A367 T368 N369 V410	A367-E408 HydrophobicContact CB-CB 3.85Å; A367-E408 HydrophobicContact CB-CG 4.46Å; T368-E408 PolarHBondContact O-N 2.87Å; T368-E408 VanDerWaalsContact O-N 3.16Å; N369-E408 WeakPolarHBondContact CA-O 3.33Å; N369-E408 HydrophobicContact CB-CB 3.98Å; N369-E408 HydrophobicContact CB-CG 4.08Å; E408-V410 PolarHBondContact O-N 2.87Å
409	G	96.6	Very high	97	Very high	50 Å²	50	43.8 Å²	43.8	52%	0.515	25%	0.245	S	C	.	.	S	Bend	trans	67.4	-126.3	-175.4	0	0	0	0	0	112.9
410	V	97.6	Very high	96.9	Very high	51 Å²	51	43.5 Å²	43.5	31%	0.309	24%	0.244	S	C	.	.			trans	-86	115.1	177.6	-178.3	0	0	0	0	109.3	N371 E408 Q415 I416	N371-V410 HydrophobicContact CB-CB 3.92Å; E408-V410 PolarHBondContact O-N 2.87Å; V410-Q415 HydrophobicContact CG1-CB 4.21Å; V410-Q415 HydrophobicContact CG1-CG 4.05Å; V410-I416 HydrophobicContact CG1-CG1 4.06Å; V410-I416 VanDerWaalsContact O-CD1 3.29Å; V410-I416 WeakPolarHBondContact O-CD1 3.43Å
411	T	96.8	Very high	96.9	Very high	72 Å²	72	48.5 Å²	48.5	44%	0.442	26%	0.263	S	S	.	.			trans	-109	-12.6	-177.4	57.5	0	0	0	0	114	P406 R413	P406-T411 HydrophobicContact CB-CG2 4.45Å; P406-T411 WeakPolarHBondContact O-CG2 3.25Å; T411-R413 PolarHBondContact O-N 3.02Å
412	D	97.1	Very high	96.8	Very high	87 Å²	87	52.2 Å²	52.2	47%	0.465	28%	0.283	S	S	.	.			trans	-67	106.3	172.7	176.5	0.2	0	0	0	110.4	S414 Q415 I416	D412-S414 PolarHBondContact O-N 3.22Å; D412-S414 WeakPolarHBondContact OD1-CB 3.5Å; D412-S414 PolarHBondContact OD1-N 2.78Å; D412-S414 PolarHBondContact OD1-OG 2.77Å; D412-S414 PolarHBondContact OD2-OG 3.09Å; D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 WeakPolarHBondContact O-CB 3.5Å; D412-Q415 PolarHBondContact O-N 3.16Å; D412-I416 WeakPolarHBondContact O-CG1 3.49Å; D412-I416 PolarHBondContact O-N 2.81Å
413	R	94.9	Very high	96.8	Very high	100 Å²	100	53.4 Å²	53.4	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-51.2	-41.6	-179.3	-63.3	-172.8	-174.2	85.5	-2.1	112.6	D405 T411 Q415 I416 L417 D440 F443	D405-R413 IonicContact OD2-CZ 3.57Å; D405-R413 IonicContact OD2-NH2 3.43Å; D405-R413 PolarHBondContact OD2-NH2 2.79Å; T411-R413 PolarHBondContact O-N 3.02Å; R413-Q415 VanDerWaalsContact C-N 3.34Å; R413-Q415 PolarHBondContact O-N 3.1Å; R413-I416 PolarHBondContact O-N 3.02Å; R413-L417 WeakPolarHBondContact O-CG 3.36Å; R413-L417 PolarHBondContact O-N 3.36Å; R413-D440 IonicContact CZ-OD2 3.68Å; R413-D440 IonicContact NE-OD2 3.05Å; R413-D440 PolarHBondContact NE-OD2 3.2Å; R413-F443 HydrophobicContact CB-CD2 3.74Å; R413-F443 HydrophobicContact CB-CE2 3.72Å; R413-F443 HydrophobicContact CB-CG 4.46Å; R413-F443 HydrophobicContact CB-CZ 4.42Å; R413-F443 HydrophobicContact CG-CD2 4.05Å; R413-F443 HydrophobicContact CG-CE2 4.1Å; R413-F443 HydrophobicContact CG-CG 4.29Å; R413-F443 HydrophobicContact CG-CZ 4.41Å
414	S	92.6	Very high	96.9	Very high	74 Å²	74	53.3 Å²	53.3	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-38.8	-178.5	73.2	0	0	0	0	111.8	D412 K418	D412-S414 PolarHBondContact O-N 3.22Å; D412-S414 WeakPolarHBondContact OD1-CB 3.5Å; D412-S414 PolarHBondContact OD1-N 2.78Å; D412-S414 PolarHBondContact OD1-OG 2.77Å; D412-S414 PolarHBondContact OD2-OG 3.09Å; S414-K418 PolarHBondContact O-N 2.82Å
415	Q	97	Very high	97	Very high	70 Å²	70	62 Å²	62	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-37.8	175.4	-172.8	59	53.6	0	0	111.6	V410 D412 R413 K418 N419	V410-Q415 HydrophobicContact CG1-CB 4.21Å; V410-Q415 HydrophobicContact CG1-CG 4.05Å; D412-Q415 HydrophobicContact CB-CB 4.03Å; D412-Q415 WeakPolarHBondContact O-CB 3.5Å; D412-Q415 PolarHBondContact O-N 3.16Å; R413-Q415 VanDerWaalsContact C-N 3.34Å; R413-Q415 PolarHBondContact O-N 3.1Å; Q415-K418 PolarHBondContact O-N 3.06Å; Q415-N419 PolarHBondContact NE2-OD1 2.99Å; Q415-N419 WeakPolarHBondContact O-CB 3.27Å; Q415-N419 PolarHBondContact O-N 3.13Å; Q415-N419 PolarHBondContact O-ND2 3.07Å; Q415-N419 PolarHBondContact O-OD1 3.08Å
416	I	98.3	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-47.4	175.6	-59.4	171.8	0	0	0	110.6	N371 L374 P406 V410 D412 R413 K418 N419 V420 F443 M447	N371-I416 HydrophobicContact CB-CD1 4.46Å; N371-I416 HydrophobicContact CB-CG1 4.1Å; L374-I416 HydrophobicContact CD1-CG2 4.5Å; P406-I416 HydrophobicContact CB-CD1 3.94Å; P406-I416 HydrophobicContact CG-CD1 3.7Å; V410-I416 HydrophobicContact CG1-CG1 4.06Å; V410-I416 VanDerWaalsContact O-CD1 3.29Å; V410-I416 WeakPolarHBondContact O-CD1 3.43Å; D412-I416 WeakPolarHBondContact O-CG1 3.49Å; D412-I416 PolarHBondContact O-N 2.81Å; R413-I416 PolarHBondContact O-N 3.02Å; I416-K418 VanDerWaalsContact C-N 3.28Å; I416-K418 PolarHBondContact O-N 2.87Å; I416-N419 PolarHBondContact O-N 3.46Å; I416-N419 VanDerWaalsContact O-N 3.16Å; I416-V420 HydrophobicContact CG2-CG2 4.15Å; I416-V420 WeakPolarHBondContact O-CB 3.18Å; I416-V420 VanDerWaalsContact O-CG2 3.3Å; I416-V420 WeakPolarHBondContact O-CG2 3.48Å; I416-V420 PolarHBondContact O-N 3.45Å; I416-F443 HydrophobicContact CB-CE2 4.41Å; I416-F443 HydrophobicContact CB-CZ 4.21Å; I416-F443 HydrophobicContact CD1-CZ 4.18Å; I416-F443 HydrophobicContact CG2-CZ 4.04Å; I416-M447 HydrophobicContact CG2-CE 3.71Å
417	L	96.5	Very high	96.9	Very high	28 Å²	28	64.4 Å²	64.4	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-53.2	-48	175.1	-68.6	174.7	0	0	0	111	R413 V420 R421 F443 V446 M447	R413-L417 WeakPolarHBondContact O-CG 3.36Å; R413-L417 PolarHBondContact O-N 3.36Å; L417-V420 PolarHBondContact O-N 2.89Å; L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 2.96Å; L417-F443 HydrophobicContact CD2-CD2 4.13Å; L417-F443 HydrophobicContact CD2-CE2 3.99Å; L417-F443 HydrophobicContact CG-CD2 4.22Å; L417-F443 HydrophobicContact CG-CE2 3.97Å; L417-V446 HydrophobicContact CD1-CG1 3.81Å; L417-V446 HydrophobicContact CD2-CG1 4.09Å; L417-M447 VanDerWaalsContact CD2-CA 3.43Å; L417-M447 HydrophobicContact CD2-CB 3.44Å; L417-M447 VanDerWaalsContact CD2-CB 3.44Å; L417-M447 HydrophobicContact CD2-CE 4.3Å; L417-M447 HydrophobicContact CD2-CG 3.97Å
418	K	96.9	Very high	96.8	Very high	96 Å²	96	60.4 Å²	60.4	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-43.9	177.5	-175.8	178.3	176.9	-177	0	112.7	S414 Q415 I416 R421 N422	S414-K418 PolarHBondContact O-N 2.82Å; Q415-K418 PolarHBondContact O-N 3.06Å; I416-K418 VanDerWaalsContact C-N 3.28Å; I416-K418 PolarHBondContact O-N 2.87Å; K418-R421 WeakPolarHBondContact O-CG 3.47Å; K418-N422 WeakPolarHBondContact O-CB 3.45Å; K418-N422 PolarHBondContact O-N 2.95Å; K418-N422 VanDerWaalsContact O-N 3.13Å; K418-N422 PolarHBondContact O-ND2 2.93Å
419	N	98.4	Very high	96.9	Very high	37 Å²	37	56.3 Å²	56.3	20%	0.198	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-50.3	179.1	-71.3	-12.9	0	0	0	111	N371 L375 Q415 I416 N422 A423	N371-N419 PolarHBondContact OD1-ND2 2.85Å; L375-N419 HydrophobicContact CD2-CB 4.35Å; Q415-N419 PolarHBondContact NE2-OD1 2.99Å; Q415-N419 WeakPolarHBondContact O-CB 3.27Å; Q415-N419 PolarHBondContact O-N 3.13Å; Q415-N419 PolarHBondContact O-ND2 3.07Å; Q415-N419 PolarHBondContact O-OD1 3.08Å; I416-N419 PolarHBondContact O-N 3.46Å; I416-N419 VanDerWaalsContact O-N 3.16Å; N419-N422 PolarHBondContact O-N 2.89Å; N419-A423 WeakPolarHBondContact O-CB 3.32Å; N419-A423 PolarHBondContact O-N 3.39Å
420	V	98.5	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-51.6	-177.9	171.5	0	0	0	0	110.9	L374 I378 I416 L417 N422 A423 I424 L430 M447	L374-V420 HydrophobicContact CB-CG2 4.15Å; L374-V420 HydrophobicContact CD1-CG2 3.81Å; I378-V420 HydrophobicContact CD1-CB 4.44Å; I378-V420 HydrophobicContact CD1-CG1 4.05Å; I378-V420 HydrophobicContact CD1-CG2 4.44Å; I416-V420 HydrophobicContact CG2-CG2 4.15Å; I416-V420 WeakPolarHBondContact O-CB 3.18Å; I416-V420 VanDerWaalsContact O-CG2 3.3Å; I416-V420 WeakPolarHBondContact O-CG2 3.48Å; I416-V420 PolarHBondContact O-N 3.45Å; L417-V420 PolarHBondContact O-N 2.89Å; V420-N422 VanDerWaalsContact C-N 3.31Å; V420-N422 PolarHBondContact O-N 3.5Å; V420-A423 PolarHBondContact O-N 2.86Å; V420-A423 VanDerWaalsContact O-N 3.15Å; V420-I424 HydrophobicContact CG1-CD1 3.81Å; V420-I424 HydrophobicContact CG1-CG1 4.46Å; V420-I424 WeakPolarHBondContact O-CG1 3.35Å; V420-I424 PolarHBondContact O-N 2.95Å; V420-L430 HydrophobicContact CG1-CD2 3.75Å; V420-M447 HydrophobicContact CG1-CG 4.2Å; V420-M447 HydrophobicContact CG1-SD 4.45Å; V420-M447 HydrophobicContact CG2-SD 4.29Å
421	R	97.1	Very high	97	Very high	105 Å²	105	52 Å²	52	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-38.1	-178.9	77.5	-171.4	-176.3	-166.2	-0.5	112.8	L417 K418 A423 R425 E450 N451	L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 2.96Å; K418-R421 WeakPolarHBondContact O-CG 3.47Å; R421-A423 VanDerWaalsContact C-N 3.3Å; R421-A423 PolarHBondContact O-N 2.67Å; R421-R425 PolarHBondContact O-N 3.27Å; R421-E450 IonicContact NH1-OE1 3.56Å; R421-E450 PolarHBondContact NH1-OE1 3.35Å; R421-E450 VanDerWaalsContact NH1-OE1 3.09Å; R421-E450 IonicContact NH1-OE2 2.7Å; R421-N451 WeakPolarHBondContact CA-OD1 3.47Å
422	N	98.1	Very high	97.1	Very high	83 Å²	83	48.5 Å²	48.5	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-71.1	-27.2	178.9	-71.4	-8.8	0	0	0	112.6	K418 N419 V420 R425	K418-N422 WeakPolarHBondContact O-CB 3.45Å; K418-N422 PolarHBondContact O-N 2.95Å; K418-N422 VanDerWaalsContact O-N 3.13Å; K418-N422 PolarHBondContact O-ND2 2.93Å; N419-N422 PolarHBondContact O-N 2.89Å; V420-N422 VanDerWaalsContact C-N 3.31Å; V420-N422 PolarHBondContact O-N 3.5Å; N422-R425 WeakPolarHBondContact O-CG 3.27Å; N422-R425 PolarHBondContact O-NE 3.04Å
423	A	97.9	Very high	97.2	Very high	24 Å²	24	44.8 Å²	44.8	20%	0.198	21%	0.212	C	C	.	.	H	α-helix	trans	-82.5	-40.9	176.8	0	0	0	0	0	111.8	L375 I378 N382 N419 V420 R421 R427	L375-A423 HydrophobicContact CD2-CB 3.79Å; I378-A423 HydrophobicContact CB-CB 4.46Å; I378-A423 HydrophobicContact CD1-CB 4.25Å; I378-A423 HydrophobicContact CG2-CB 3.6Å; N382-A423 PolarHBondContact ND2-O 2.82Å; N382-A423 VanDerWaalsContact ND2-O 3.07Å; N419-A423 WeakPolarHBondContact O-CB 3.32Å; N419-A423 PolarHBondContact O-N 3.39Å; V420-A423 PolarHBondContact O-N 2.86Å; V420-A423 VanDerWaalsContact O-N 3.15Å; R421-A423 VanDerWaalsContact C-N 3.3Å; R421-A423 PolarHBondContact O-N 2.67Å; A423-R427 PolarHBondContact O-NH2 2.87Å
424	I	98	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-73.3	-43.2	178.1	-65	179.1	0	0	0	111.3	I378 L398 V420 G426 R427 F428 L430 N451	I378-I424 HydrophobicContact CD1-CD1 4.03Å; I378-I424 HydrophobicContact CD1-CG1 3.74Å; I378-I424 HydrophobicContact CG1-CD1 4.13Å; I378-I424 HydrophobicContact CG1-CG1 3.74Å; I378-I424 HydrophobicContact CG2-CG1 3.99Å; L398-I424 HydrophobicContact CD2-CD1 4.43Å; V420-I424 HydrophobicContact CG1-CD1 3.81Å; V420-I424 HydrophobicContact CG1-CG1 4.46Å; V420-I424 WeakPolarHBondContact O-CG1 3.35Å; V420-I424 PolarHBondContact O-N 2.95Å; I424-G426 PolarHBondContact O-N 2.77Å; I424-R427 WeakPolarHBondContact O-CB 3.3Å; I424-R427 WeakPolarHBondContact O-CG 3.38Å; I424-R427 PolarHBondContact O-N 3.18Å; I424-R427 PolarHBondContact O-NE 2.86Å; I424-F428 HydrophobicContact CB-CE2 4.43Å; I424-F428 HydrophobicContact CD1-CE2 4.02Å; I424-F428 HydrophobicContact CG1-CE2 3.78Å; I424-F428 HydrophobicContact CG1-CZ 4.12Å; I424-F428 HydrophobicContact CG2-CD2 4.05Å; I424-F428 HydrophobicContact CG2-CE2 4.01Å; I424-F428 HydrophobicContact CG2-CG 4.41Å; I424-F428 HydrophobicContact CG2-CZ 4.33Å; I424-F428 WeakPolarHBondContact CG2-O 3.39Å; I424-L430 HydrophobicContact CD1-CB 4Å; I424-L430 HydrophobicContact CD1-CD2 4.33Å; I424-N451 HydrophobicContact CD1-CB 3.96Å
425	R	96.9	Very high	97.5	Very high	192 Å²	192	36.5 Å²	36.5	73%	0.725	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.4	-178.6	-53.1	-175	178.7	176.5	-1.3	113.5	R421 N422 R427	R421-R425 PolarHBondContact O-N 3.27Å; N422-R425 WeakPolarHBondContact O-CG 3.27Å; N422-R425 PolarHBondContact O-NE 3.04Å; R425-R427 PolarHBondContact O-N 3.11Å
426	G	94.8	Very high	97.3	Very high	31 Å²	31	33.1 Å²	33.1	32%	0.32	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	8.2	179.4	0	0	0	0	0	115.7	I424 N452 K501	I424-G426 PolarHBondContact O-N 2.77Å; G426-N452 PolarHBondContact O-ND2 2.96Å; G426-K501 WeakPolarHBondContact O-CE 3.41Å; G426-K501 PolarHBondContact O-NZ 2.88Å
427	R	95.3	Very high	96.9	Very high	79 Å²	79	38.8 Å²	38.8	30%	0.298	18%	0.18	S	C	.	.	S	Bend	trans	-69.2	-32.6	-175	-73.1	178	-82.1	-170.1	-3.3	114.3	N382 A423 I424 R425 K501	N382-R427 VanDerWaalsContact CG-CZ 3.48Å; N382-R427 VanDerWaalsContact CG-NH2 3.29Å; N382-R427 PolarHBondContact ND2-NH2 2.92Å; N382-R427 PolarHBondContact OD1-NE 2.9Å; N382-R427 PolarHBondContact OD1-NH1 3.41Å; N382-R427 PolarHBondContact OD1-NH2 3.35Å; N382-R427 VanDerWaalsContact OD1-NH2 3.1Å; A423-R427 PolarHBondContact O-NH2 2.87Å; I424-R427 WeakPolarHBondContact O-CB 3.3Å; I424-R427 WeakPolarHBondContact O-CG 3.38Å; I424-R427 PolarHBondContact O-N 3.18Å; I424-R427 PolarHBondContact O-NE 2.86Å; R425-R427 PolarHBondContact O-N 3.11Å; R427-K501 VanDerWaalsContact C-CE 3.41Å; R427-K501 WeakPolarHBondContact O-CE 3.44Å; R427-K501 PolarHBondContact O-NZ 2.74Å
428	F	97.2	Very high	96.6	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.018	20%	0.204	C	C	.	.	S	Bend	trans	-151.6	158.7	-179.4	45	-98.7	0	0	0	111.7	I378 L381 S396 L398 I424	I378-F428 HydrophobicContact CG2-CZ 4.15Å; L381-F428 HydrophobicContact CB-CD1 4.44Å; L381-F428 HydrophobicContact CB-CE1 3.71Å; L381-F428 HydrophobicContact CB-CE2 4.41Å; L381-F428 HydrophobicContact CB-CZ 3.68Å; L381-F428 HydrophobicContact CD1-CD1 4.48Å; L381-F428 HydrophobicContact CD1-CD2 3.91Å; L381-F428 HydrophobicContact CD1-CE1 4.2Å; L381-F428 HydrophobicContact CD1-CE2 3.57Å; L381-F428 HydrophobicContact CD1-CG 4.35Å; L381-F428 HydrophobicContact CD1-CZ 3.73Å; L381-F428 HydrophobicContact CG-CZ 4.37Å; S396-F428 VanDerWaalsContact O-CB 3.27Å; S396-F428 WeakPolarHBondContact O-CB 3.43Å; L398-F428 HydrophobicContact CB-CD2 4.16Å; L398-F428 HydrophobicContact CB-CE2 4.06Å; L398-F428 HydrophobicContact CD2-CE2 4.16Å; I424-F428 HydrophobicContact CB-CE2 4.43Å; I424-F428 HydrophobicContact CD1-CE2 4.02Å; I424-F428 HydrophobicContact CG1-CE2 3.78Å; I424-F428 HydrophobicContact CG1-CZ 4.12Å; I424-F428 HydrophobicContact CG2-CD2 4.05Å; I424-F428 HydrophobicContact CG2-CE2 4.01Å; I424-F428 HydrophobicContact CG2-CG 4.41Å; I424-F428 HydrophobicContact CG2-CZ 4.33Å; I424-F428 WeakPolarHBondContact CG2-O 3.39Å
429	P	98.3	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.			trans	-71.2	140.5	174.9	29.3	-35.5	0	0	0	112.5	S396 L398 Y431 N451 N452 Q502	S396-P429 WeakPolarHBondContact O-CD 3.45Å; L398-P429 PolarHBondContact N-O 3.14Å; L398-P429 VanDerWaalsContact N-O 3.13Å; P429-Y431 HydrophobicContact CB-CD2 4.48Å; P429-Y431 HydrophobicContact CB-CE2 3.81Å; P429-Y431 HydrophobicContact CG-CE2 3.86Å; P429-N451 CarbonylContact C-O 3.58Å; P429-N451 VanDerWaalsContact CA-O 3.26Å; P429-N451 WeakPolarHBondContact CA-O 3.34Å; P429-N452 WeakPolarHBondContact CB-O 3.22Å; P429-Q502 HydrophobicContact CG-CG 4.26Å
430	L	98.6	Very high	95.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.2	165	170.3	61.6	0	0	0	110.3	L374 L398 M400 V420 I424 N432 M447 S448 N451 G453	L374-L430 HydrophobicContact CD2-CD1 4.1Å; L374-L430 HydrophobicContact CD2-CD2 4.37Å; L398-L430 HydrophobicContact CB-CD1 4.13Å; L398-L430 HydrophobicContact CD2-CD1 3.79Å; L398-L430 HydrophobicContact CG-CD1 3.77Å; M400-L430 HydrophobicContact CB-CD1 4.29Å; V420-L430 HydrophobicContact CG1-CD2 3.75Å; I424-L430 HydrophobicContact CD1-CB 4Å; I424-L430 HydrophobicContact CD1-CD2 4.33Å; L430-N432 WeakPolarHBondContact CD1-OD1 3.34Å; L430-N432 WeakPolarHBondContact CG-OD1 3.31Å; L430-M447 HydrophobicContact CD2-CG 3.79Å; L430-M447 HydrophobicContact CD2-SD 3.8Å; L430-S448 WeakPolarHBondContact O-CB 3.39Å; L430-N451 HydrophobicContact CB-CB 3.87Å; L430-N451 PolarHBondContact N-O 2.95Å; L430-G453 WeakPolarHBondContact O-CA 3.43Å
431	Y	98.7	Very high	95.5	Very high	9 Å²	9	40 Å²	40	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112	175.6	-66.8	-65.3	0	0	0	111.2	I397 L398 I399 M400 P429 R454 F471 V475 Y504	I397-Y431 HydrophobicContact CG2-CD2 3.8Å; I397-Y431 HydrophobicContact CG2-CE2 3.93Å; L398-Y431 PolarHBondContact O-N 3.33Å; I399-Y431 WeakPolarHBondContact CA-O 3.41Å; I399-Y431 HydrophobicContact CG1-CD2 4.37Å; M400-Y431 PolarHBondContact N-O 3.44Å; P429-Y431 HydrophobicContact CB-CD2 4.48Å; P429-Y431 HydrophobicContact CB-CE2 3.81Å; P429-Y431 HydrophobicContact CG-CE2 3.86Å; Y431-R454 HydrophobicContact CD1-CG 4.05Å; Y431-R454 WeakPolarHBondContact CD1-O 3.23Å; Y431-R454 HydrophobicContact CE1-CG 4.08Å; Y431-F471 HydrophobicContact CD1-CE2 4.43Å; Y431-F471 AromaticContact CD1-CZ 3.73Å; Y431-F471 HydrophobicContact CD1-CZ 3.73Å; Y431-F471 HydrophobicContact CD2-CZ 4.48Å; Y431-F471 HydrophobicContact CG-CE1 4.32Å; Y431-F471 AromaticContact CG-CZ 3.69Å; Y431-F471 HydrophobicContact CG-CZ 3.69Å; Y431-V475 HydrophobicContact CD2-CG1 4.33Å; Y431-V475 HydrophobicContact CE1-CG1 4.12Å; Y431-V475 HydrophobicContact CE2-CB 4.11Å; Y431-V475 HydrophobicContact CE2-CG1 3.78Å; Y431-Y504 WeakPolarHBondContact CE2-OH 3.46Å; Y431-Y504 WeakPolarHBondContact OH-CE2 3.31Å; Y431-Y504 VanDerWaalsContact OH-CZ 3.22Å; Y431-Y504 PolarHBondContact OH-OH 3.1Å
432	N	98.6	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.9	177.6	-66.2	-25.4	0	0	0	111.7	M400 L430 L444 M447 S448 A455 Q456	M400-N432 HydrophobicContact CE-CB 3.95Å; M400-N432 WeakPolarHBondContact CE-OD1 3.33Å; M400-N432 CarbonylContact O-C 3.5Å; L430-N432 WeakPolarHBondContact CD1-OD1 3.34Å; L430-N432 WeakPolarHBondContact CG-OD1 3.31Å; N432-L444 HydrophobicContact CB-CB 3.95Å; N432-L444 HydrophobicContact CB-CD1 4.44Å; N432-L444 HydrophobicContact CB-CD2 4.31Å; N432-L444 HydrophobicContact CB-CG 4.47Å; N432-L444 PolarHBondContact ND2-O 2.9Å; N432-M447 PolarHBondContact ND2-SD 3.43Å; N432-M447 VanDerWaalsContact ND2-SD 3.44Å; N432-S448 WeakPolarHBondContact CB-OG 3.41Å; N432-S448 PolarHBondContact N-OG 2.78Å; N432-S448 PolarHBondContact ND2-OG 3.17Å; N432-A455 HydrophobicContact CB-CB 4.29Å; N432-A455 CarbonylContact O-C 3.49Å; N432-A455 WeakPolarHBondContact O-CA 3.5Å; N432-Q456 PolarHBondContact O-N 2.98Å
433	L	98.6	Very high	95	Very high	8 Å²	8	34.5 Å²	34.5	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	111.2	176.8	-54.5	-177.1	0	0	0	108.6	I399 M400 L401 T402 Q456 I458 L468 F471	I399-L433 HydrophobicContact CG2-CD1 3.87Å; I399-L433 HydrophobicContact CG2-CG 4.28Å; M400-L433 WeakPolarHBondContact O-CB 3.44Å; M400-L433 PolarHBondContact O-N 2.99Å; L401-L433 WeakPolarHBondContact CA-O 3.46Å; L401-L433 HydrophobicContact CB-CB 4.29Å; L401-L433 HydrophobicContact CD1-CB 3.51Å; L401-L433 HydrophobicContact CD1-CD1 4.46Å; T402-L433 PolarHBondContact N-O 3.27Å; L433-Q456 WeakPolarHBondContact CA-O 3.5Å; L433-Q456 HydrophobicContact CD2-CB 3.75Å; L433-Q456 HydrophobicContact CD2-CG 4.38Å; L433-I458 HydrophobicContact CB-CG1 4.18Å; L433-L468 HydrophobicContact CD1-CD2 3.73Å; L433-F471 HydrophobicContact CD1-CD1 4Å; L433-F471 HydrophobicContact CD1-CE1 4.37Å; L433-F471 HydrophobicContact CD2-CD1 3.63Å; L433-F471 HydrophobicContact CD2-CD2 3.97Å; L433-F471 HydrophobicContact CD2-CE1 3.73Å; L433-F471 HydrophobicContact CD2-CE2 4.05Å; L433-F471 HydrophobicContact CD2-CG 3.77Å; L433-F471 HydrophobicContact CD2-CZ 3.96Å; L433-F471 HydrophobicContact CG-CD1 4.38Å; L433-F471 HydrophobicContact CG-CE1 4.44Å
434	G	97.7	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.6	176.8	0	0	0	0	0	110.3	Q456 R457 I458	G434-Q456 PolarHBondContact N-O 3.11Å; G434-R457 WeakPolarHBondContact O-CA 3.36Å; G434-I458 PolarHBondContact O-N 2.8Å
435	F	97.1	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.6	-177.7	-153.9	155.9	0	0	0	110.5	M303 K307 L401 T402 D403 I458 E460 A464	M303-F435 HydrophobicContact CE-CD1 4.49Å; K307-F435 HydrophobicContact CB-CD1 4.35Å; K307-F435 HydrophobicContact CB-CE1 4.04Å; K307-F435 HydrophobicContact CB-CZ 4.23Å; K307-F435 HydrophobicContact CD-CD2 4.2Å; K307-F435 HydrophobicContact CD-CE2 4.47Å; K307-F435 HydrophobicContact CD-CG 4.26Å; K307-F435 HydrophobicContact CG-CD1 4.3Å; K307-F435 HydrophobicContact CG-CD2 4.13Å; K307-F435 HydrophobicContact CG-CE1 4.09Å; K307-F435 HydrophobicContact CG-CE2 3.91Å; K307-F435 HydrophobicContact CG-CG 4.33Å; K307-F435 HydrophobicContact CG-CZ 3.89Å; L401-F435 HydrophobicContact CD1-CB 4.03Å; L401-F435 HydrophobicContact CD1-CD1 4.07Å; L401-F435 HydrophobicContact CD1-CG 4.45Å; L401-F435 HydrophobicContact CD2-CD1 4.37Å; T402-F435 PolarHBondContact O-N 3.07Å; D403-F435 VanDerWaalsContact CA-O 3.31Å; D403-F435 WeakPolarHBondContact CA-O 3.48Å; D403-F435 HydrophobicContact CB-CB 4.04Å; D403-F435 WeakPolarHBondContact CB-O 3.38Å; F435-I458 WeakPolarHBondContact CA-O 3.42Å; F435-I458 HydrophobicContact CD1-CG2 4.41Å; F435-I458 HydrophobicContact CD2-CB 4.19Å; F435-I458 HydrophobicContact CD2-CG2 3.85Å; F435-I458 HydrophobicContact CE1-CG2 4.41Å; F435-I458 HydrophobicContact CE2-CG2 3.84Å; F435-I458 HydrophobicContact CG-CB 4.28Å; F435-I458 HydrophobicContact CG-CG2 4.14Å; F435-I458 HydrophobicContact CZ-CG2 4.15Å; F435-E460 HydrophobicContact CD2-CG 3.82Å; F435-E460 HydrophobicContact CE2-CB 4.49Å; F435-E460 HydrophobicContact CE2-CG 3.86Å; F435-A464 HydrophobicContact CE2-CB 3.82Å; F435-A464 HydrophobicContact CZ-CB 3.53Å
436	G	92	Very high	94.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	91.2	-155.9	-178.9	0	0	0	0	0	113.2	R457 I458	G436-R457 PolarHBondContact O-NH1 3.29Å; G436-I458 PolarHBondContact N-O 2.85Å
437	H	89.6	Confident	94.6	Very high	119 Å²	119	25.3 Å²	25.3	55%	0.551	12%	0.123	S	C	*	.	S	Bend	trans	-118.2	0.5	-176.3	-59.9	89.5	0	0	0	113	V439 Y459	H437-V439 PolarHBondContact O-N 3.4Å; H437-Y459 AromaticContact CE1-CD1 3.92Å; H437-Y459 AromaticContact NE2-CE1 3.89Å
438	N	89.8	Confident	94.7	Very high	121 Å²	121	21.6 Å²	21.6	65%	0.647	11%	0.109	S	C	*	.	S	Bend	trans	-90.7	22.8	-179.2	-63.3	-26	0	0	0	113
439	V	89.9	Confident	94.5	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.055	12%	0.119	C	C	.	.	S	Bend	trans	-127	139.4	179.1	61.9	0	0	0	0	109.6	T402 H437 F441 L444	T402-V439 HydrophobicContact CG2-CG2 4.14Å; H437-V439 PolarHBondContact O-N 3.4Å; V439-F441 VanDerWaalsContact C-N 3.32Å; V439-F441 PolarHBondContact O-N 3.43Å; V439-L444 HydrophobicContact CG1-CD1 4.44Å; V439-L444 HydrophobicContact CG2-CD1 3.75Å; V439-L444 HydrophobicContact CG2-CG 4.14Å
440	D	91.1	Very high	94.2	Very high	48 Å²	48	26.1 Å²	26.1	26%	0.257	13%	0.131	S	C	.	.			trans	-66.1	92.1	169.4	-177.4	-10.5	0	0	0	109.6	D405 R413 N442 F443 L444	D405-D440 WeakPolarHBondContact OD1-CB 3.26Å; D405-D440 PolarHBondContact OD1-N 2.84Å; R413-D440 IonicContact CZ-OD2 3.68Å; R413-D440 IonicContact NE-OD2 3.05Å; R413-D440 PolarHBondContact NE-OD2 3.2Å; D440-N442 VanDerWaalsContact C-N 3.31Å; D440-N442 PolarHBondContact O-N 3.17Å; D440-N442 WeakPolarHBondContact OD1-CB 3.25Å; D440-N442 PolarHBondContact OD1-N 3.07Å; D440-F443 HydrophobicContact CB-CB 3.95Å; D440-F443 VanDerWaalsContact CG-CB 3.43Å; D440-F443 WeakPolarHBondContact O-CB 3.37Å; D440-F443 PolarHBondContact O-N 2.91Å; D440-F443 PolarHBondContact OD1-N 3.17Å; D440-F443 WeakPolarHBondContact OD2-CB 3.41Å; D440-L444 PolarHBondContact O-N 2.89Å
441	F	91.4	Very high	94.2	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.039	13%	0.131	C	C	.	.	H	α-helix	trans	-69.8	-30.8	-177.1	-167.4	-103.9	0	0	0	112.3	V439 F443 L444 E445 A455 R457	V439-F441 VanDerWaalsContact C-N 3.32Å; V439-F441 PolarHBondContact O-N 3.43Å; F441-F443 VanDerWaalsContact C-N 3.31Å; F441-F443 PolarHBondContact O-N 2.77Å; F441-L444 HydrophobicContact CD2-CD1 4.5Å; F441-L444 PolarHBondContact O-N 3.49Å; F441-L444 VanDerWaalsContact O-N 3.15Å; F441-E445 HydrophobicContact CD1-CG 3.82Å; F441-E445 VanDerWaalsContact CE1-CD 3.48Å; F441-E445 HydrophobicContact CE1-CG 3.54Å; F441-E445 HydrophobicContact CZ-CG 4.18Å; F441-E445 WeakPolarHBondContact O-CG 3.47Å; F441-E445 PolarHBondContact O-N 2.79Å; F441-A455 HydrophobicContact CE1-CB 4.44Å; F441-A455 HydrophobicContact CE2-CB 3.97Å; F441-A455 HydrophobicContact CZ-CB 3.77Å; F441-R457 HydrophobicContact CD2-CB 4.37Å; F441-R457 HydrophobicContact CE2-CB 3.84Å; F441-R457 HydrophobicContact CZ-CB 4.06Å
442	N	90.3	Very high	94	Very high	64 Å²	64	29 Å²	29	34%	0.342	15%	0.146	S	C	.	.	H	α-helix	trans	-61.7	-42.1	174.3	169.5	82.9	0	0	0	110.6	D440 L444 E445 V446 M579	D440-N442 VanDerWaalsContact C-N 3.31Å; D440-N442 PolarHBondContact O-N 3.17Å; D440-N442 WeakPolarHBondContact OD1-CB 3.25Å; D440-N442 PolarHBondContact OD1-N 3.07Å; N442-L444 VanDerWaalsContact C-N 3.35Å; N442-L444 PolarHBondContact O-N 3.35Å; N442-E445 PolarHBondContact O-N 2.85Å; N442-V446 WeakPolarHBondContact O-CG2 3.48Å; N442-V446 PolarHBondContact O-N 2.82Å; N442-M579 HydrophobicContact CB-CE 4.4Å; N442-M579 WeakPolarHBondContact OD1-CE 3.36Å
443	F	93.8	Very high	93.8	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-44	172.1	163.5	-114.2	0	0	0	112.4	L370 R413 I416 L417 D440 F441 M447	L370-F443 HydrophobicContact CD2-CE1 3.63Å; L370-F443 HydrophobicContact CD2-CZ 4.03Å; R413-F443 HydrophobicContact CB-CD2 3.74Å; R413-F443 HydrophobicContact CB-CE2 3.72Å; R413-F443 HydrophobicContact CB-CG 4.46Å; R413-F443 HydrophobicContact CB-CZ 4.42Å; R413-F443 HydrophobicContact CG-CD2 4.05Å; R413-F443 HydrophobicContact CG-CE2 4.1Å; R413-F443 HydrophobicContact CG-CG 4.29Å; R413-F443 HydrophobicContact CG-CZ 4.41Å; I416-F443 HydrophobicContact CB-CE2 4.41Å; I416-F443 HydrophobicContact CB-CZ 4.21Å; I416-F443 HydrophobicContact CD1-CZ 4.18Å; I416-F443 HydrophobicContact CG2-CZ 4.04Å; L417-F443 HydrophobicContact CD2-CD2 4.13Å; L417-F443 HydrophobicContact CD2-CE2 3.99Å; L417-F443 HydrophobicContact CG-CD2 4.22Å; L417-F443 HydrophobicContact CG-CE2 3.97Å; D440-F443 HydrophobicContact CB-CB 3.95Å; D440-F443 VanDerWaalsContact CG-CB 3.43Å; D440-F443 WeakPolarHBondContact O-CB 3.37Å; D440-F443 PolarHBondContact O-N 2.91Å; D440-F443 PolarHBondContact OD1-N 3.17Å; D440-F443 WeakPolarHBondContact OD2-CB 3.41Å; F441-F443 VanDerWaalsContact C-N 3.31Å; F441-F443 PolarHBondContact O-N 2.77Å; F443-M447 HydrophobicContact CD2-CE 4.47Å; F443-M447 HydrophobicContact CE1-CE 3.79Å; F443-M447 HydrophobicContact CE2-CE 3.57Å; F443-M447 HydrophobicContact CZ-CE 3.18Å; F443-M447 WeakPolarHBondContact O-CB 3.38Å; F443-M447 PolarHBondContact O-N 3.3Å
444	L	96.4	Very high	93.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-38	177.3	-63.1	-171	0	0	0	113.2	M400 T402 N432 V439 D440 F441 N442 S448 A455	M400-L444 HydrophobicContact CE-CD2 3.66Å; T402-L444 HydrophobicContact CG2-CD1 4.03Å; T402-L444 HydrophobicContact CG2-CD2 4.28Å; N432-L444 HydrophobicContact CB-CB 3.95Å; N432-L444 HydrophobicContact CB-CD1 4.44Å; N432-L444 HydrophobicContact CB-CD2 4.31Å; N432-L444 HydrophobicContact CB-CG 4.47Å; N432-L444 PolarHBondContact ND2-O 2.9Å; V439-L444 HydrophobicContact CG1-CD1 4.44Å; V439-L444 HydrophobicContact CG2-CD1 3.75Å; V439-L444 HydrophobicContact CG2-CG 4.14Å; D440-L444 PolarHBondContact O-N 2.89Å; F441-L444 HydrophobicContact CD2-CD1 4.5Å; F441-L444 PolarHBondContact O-N 3.49Å; F441-L444 VanDerWaalsContact O-N 3.15Å; N442-L444 VanDerWaalsContact C-N 3.35Å; N442-L444 PolarHBondContact O-N 3.35Å; L444-S448 PolarHBondContact O-N 2.88Å; L444-S448 PolarHBondContact O-OG 3.38Å; L444-A455 HydrophobicContact CB-CB 4.23Å
445	E	92.9	Very high	93.5	Very high	46 Å²	46	33.2 Å²	33.2	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-52.9	174.9	-81.3	-171.4	114.1	0	0	110.7	F441 N442 M447 S448 M449 A455 M579	F441-E445 HydrophobicContact CD1-CG 3.82Å; F441-E445 VanDerWaalsContact CE1-CD 3.48Å; F441-E445 HydrophobicContact CE1-CG 3.54Å; F441-E445 HydrophobicContact CZ-CG 4.18Å; F441-E445 WeakPolarHBondContact O-CG 3.47Å; F441-E445 PolarHBondContact O-N 2.79Å; N442-E445 PolarHBondContact O-N 2.85Å; E445-M447 VanDerWaalsContact C-N 3.32Å; E445-M447 PolarHBondContact O-N 3.29Å; E445-S448 PolarHBondContact O-N 3.44Å; E445-M449 HydrophobicContact CB-CE 4.29Å; E445-M449 WeakPolarHBondContact O-CB 3.26Å; E445-M449 WeakPolarHBondContact O-CG 3.19Å; E445-M449 PolarHBondContact O-N 3.5Å; E445-A455 HydrophobicContact CB-CB 4.4Å; E445-A455 HydrophobicContact CG-CB 3.73Å; E445-M579 HydrophobicContact CB-CE 4.33Å; E445-M579 WeakPolarHBondContact OE2-CE 3.38Å
446	V	93.3	Very high	93.4	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-56.2	-48	178.1	171.9	0	0	0	0	110.6	L417 N442 S448 M449 E450 M579 K580	L417-V446 HydrophobicContact CD1-CG1 3.81Å; L417-V446 HydrophobicContact CD2-CG1 4.09Å; N442-V446 WeakPolarHBondContact O-CG2 3.48Å; N442-V446 PolarHBondContact O-N 2.82Å; V446-S448 PolarHBondContact O-N 3.39Å; V446-M449 PolarHBondContact O-N 2.93Å; V446-E450 HydrophobicContact CG1-CG 4.45Å; V446-E450 WeakPolarHBondContact O-CG 3.22Å; V446-E450 PolarHBondContact O-N 2.89Å; V446-M579 HydrophobicContact CG2-CB 4Å; V446-M579 VanDerWaalsContact CG2-O 3.27Å; V446-M579 WeakPolarHBondContact CG2-O 3.3Å; V446-K580 HydrophobicContact CG1-CB 4.3Å; V446-K580 HydrophobicContact CG1-CG 4.17Å; V446-K580 HydrophobicContact CG2-CG 4.47Å
447	M	96.9	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-46.1	178.9	-172.1	-172.8	-64.8	0	0	112.6	L374 I416 L417 V420 L430 N432 F443 E445 N451	L374-M447 HydrophobicContact CD1-CE 3.96Å; L374-M447 HydrophobicContact CD1-SD 3.55Å; L374-M447 VanDerWaalsContact CD1-SD 3.55Å; I416-M447 HydrophobicContact CG2-CE 3.71Å; L417-M447 VanDerWaalsContact CD2-CA 3.43Å; L417-M447 HydrophobicContact CD2-CB 3.44Å; L417-M447 VanDerWaalsContact CD2-CB 3.44Å; L417-M447 HydrophobicContact CD2-CE 4.3Å; L417-M447 HydrophobicContact CD2-CG 3.97Å; V420-M447 HydrophobicContact CG1-CG 4.2Å; V420-M447 HydrophobicContact CG1-SD 4.45Å; V420-M447 HydrophobicContact CG2-SD 4.29Å; L430-M447 HydrophobicContact CD2-CG 3.79Å; L430-M447 HydrophobicContact CD2-SD 3.8Å; N432-M447 PolarHBondContact ND2-SD 3.43Å; N432-M447 VanDerWaalsContact ND2-SD 3.44Å; F443-M447 HydrophobicContact CD2-CE 4.47Å; F443-M447 HydrophobicContact CE1-CE 3.79Å; F443-M447 HydrophobicContact CE2-CE 3.57Å; F443-M447 HydrophobicContact CZ-CE 3.18Å; F443-M447 WeakPolarHBondContact O-CB 3.38Å; F443-M447 PolarHBondContact O-N 3.3Å; E445-M447 VanDerWaalsContact C-N 3.32Å; E445-M447 PolarHBondContact O-N 3.29Å; M447-N451 PolarHBondContact O-N 2.95Å; M447-N451 PolarHBondContact O-ND2 3.23Å
448	S	96.9	Very high	93.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.7	-43	179.4	-55.7	0	0	0	0	111	L430 N432 L444 E445 V446 E450 N451 N452 G453 A455	L430-S448 WeakPolarHBondContact O-CB 3.39Å; N432-S448 WeakPolarHBondContact CB-OG 3.41Å; N432-S448 PolarHBondContact N-OG 2.78Å; N432-S448 PolarHBondContact ND2-OG 3.17Å; L444-S448 PolarHBondContact O-N 2.88Å; L444-S448 PolarHBondContact O-OG 3.38Å; E445-S448 PolarHBondContact O-N 3.44Å; V446-S448 PolarHBondContact O-N 3.39Å; S448-E450 PolarHBondContact O-N 3.45Å; S448-N451 CarbonylContact O-C 3.58Å; S448-N451 PolarHBondContact O-N 2.75Å; S448-N452 PolarHBondContact O-N 2.73Å; S448-G453 CarbonylContact O-C 3.5Å; S448-G453 PolarHBondContact O-N 3.19Å; S448-A455 PolarHBondContact OG-N 2.96Å
449	M	92.3	Very high	94.1	Very high	46 Å²	46	26.8 Å²	26.8	23%	0.227	14%	0.135	C	C	.	.	H	α-helix	trans	-72.6	-27.9	-177	-61.4	177.6	-176.1	0	0	113	E445 V446 N451 A576 K580	E445-M449 HydrophobicContact CB-CE 4.29Å; E445-M449 WeakPolarHBondContact O-CB 3.26Å; E445-M449 WeakPolarHBondContact O-CG 3.19Å; E445-M449 PolarHBondContact O-N 3.5Å; V446-M449 PolarHBondContact O-N 2.93Å; M449-N451 PolarHBondContact O-N 3.49Å; M449-A576 HydrophobicContact CE-CB 3.87Å; M449-A576 HydrophobicContact SD-CB 3.96Å; M449-K580 VanDerWaalsContact C-NZ 3.28Å; M449-K580 HydrophobicContact CB-CD 3.87Å; M449-K580 VanDerWaalsContact CB-NZ 3.26Å; M449-K580 PolarHBondContact O-NZ 3.03Å
450	E	93.4	Very high	94.1	Very high	53 Å²	53	30.9 Å²	30.9	25%	0.248	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-18.5	169.4	-75.6	-164	145.5	0	0	112.2	R421 V446 S448 K580	R421-E450 IonicContact NH1-OE1 3.56Å; R421-E450 PolarHBondContact NH1-OE1 3.35Å; R421-E450 VanDerWaalsContact NH1-OE1 3.09Å; R421-E450 IonicContact NH1-OE2 2.7Å; V446-E450 HydrophobicContact CG1-CG 4.45Å; V446-E450 WeakPolarHBondContact O-CG 3.22Å; V446-E450 PolarHBondContact O-N 2.89Å; S448-E450 PolarHBondContact O-N 3.45Å; E450-K580 HydrophobicContact CG-CD 3.95Å
451	N	96.8	Very high	94.1	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	40.8	-173	-66.1	-77.7	0	0	0	111.8	R421 I424 P429 L430 M447 S448 M449 G453	R421-N451 WeakPolarHBondContact CA-OD1 3.47Å; I424-N451 HydrophobicContact CD1-CB 3.96Å; P429-N451 CarbonylContact C-O 3.58Å; P429-N451 VanDerWaalsContact CA-O 3.26Å; P429-N451 WeakPolarHBondContact CA-O 3.34Å; L430-N451 HydrophobicContact CB-CB 3.87Å; L430-N451 PolarHBondContact N-O 2.95Å; M447-N451 PolarHBondContact O-N 2.95Å; M447-N451 PolarHBondContact O-ND2 3.23Å; S448-N451 CarbonylContact O-C 3.58Å; S448-N451 PolarHBondContact O-N 2.75Å; M449-N451 PolarHBondContact O-N 3.49Å; N451-G453 PolarHBondContact O-N 3.06Å
452	N	95.3	Very high	94.1	Very high	68 Å²	68	43.2 Å²	43.2	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	17.3	171.5	-65.6	-46.3	0	0	0	116.7	G426 P429 S448 K501	G426-N452 PolarHBondContact O-ND2 2.96Å; P429-N452 WeakPolarHBondContact CB-O 3.22Å; S448-N452 PolarHBondContact O-N 2.73Å; N452-K501 HydrophobicContact CB-CB 3.57Å; N452-K501 HydrophobicContact CB-CG 3.9Å
453	G	94.8	Very high	94.2	Very high	17 Å²	17	42.8 Å²	42.8	18%	0.175	20%	0.2	C	C	.	.			trans	-122	-161.8	178.5	0	0	0	0	0	113.1	L430 S448 N451	L430-G453 WeakPolarHBondContact O-CA 3.43Å; S448-G453 CarbonylContact O-C 3.5Å; S448-G453 PolarHBondContact O-N 3.19Å; N451-G453 PolarHBondContact O-N 3.06Å
454	R	94.6	Very high	94.2	Very high	67 Å²	67	42.4 Å²	42.4	25%	0.253	20%	0.199	S	C	.	.			trans	-141.6	151.1	176.1	70.6	-177.1	179.3	-81.9	1.9	110.6	Y431	Y431-R454 HydrophobicContact CD1-CG 4.05Å; Y431-R454 WeakPolarHBondContact CD1-O 3.23Å; Y431-R454 HydrophobicContact CE1-CG 4.08Å
455	A	95.4	Very high	94.2	Very high	14 Å²	14	42.5 Å²	42.5	12%	0.116	20%	0.199	C	C	.	.			trans	-86.1	155.8	168.4	0	0	0	0	0	111.1	N432 F441 L444 E445 S448	N432-A455 HydrophobicContact CB-CB 4.29Å; N432-A455 CarbonylContact O-C 3.49Å; N432-A455 WeakPolarHBondContact O-CA 3.5Å; F441-A455 HydrophobicContact CE1-CB 4.44Å; F441-A455 HydrophobicContact CE2-CB 3.97Å; F441-A455 HydrophobicContact CZ-CB 3.77Å; L444-A455 HydrophobicContact CB-CB 4.23Å; E445-A455 HydrophobicContact CB-CB 4.4Å; E445-A455 HydrophobicContact CG-CB 3.73Å; S448-A455 PolarHBondContact OG-N 2.96Å
456	Q	95.6	Very high	94.3	Very high	61 Å²	61	45.2 Å²	45.2	29%	0.285	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.3	173.7	174	65.4	62.6	0	0	109.3	N432 L433 G434 I458 F471	N432-Q456 PolarHBondContact O-N 2.98Å; L433-Q456 WeakPolarHBondContact CA-O 3.5Å; L433-Q456 HydrophobicContact CD2-CB 3.75Å; L433-Q456 HydrophobicContact CD2-CG 4.38Å; G434-Q456 PolarHBondContact N-O 3.11Å; Q456-I458 HydrophobicContact CG-CD1 4.3Å; Q456-F471 HydrophobicContact CB-CD2 3.73Å; Q456-F471 HydrophobicContact CB-CE2 3.95Å; Q456-F471 HydrophobicContact CG-CD2 3.85Å; Q456-F471 HydrophobicContact CG-CG 4.48Å
457	R	95.1	Very high	94.4	Very high	8 Å²	8	46.3 Å²	46.3	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134.6	172.9	-163.9	175.5	-67.2	-90.5	12.9	110	G434 G436 F441 Y459 E629 D630	G434-R457 WeakPolarHBondContact O-CA 3.36Å; G436-R457 PolarHBondContact O-NH1 3.29Å; F441-R457 HydrophobicContact CD2-CB 4.37Å; F441-R457 HydrophobicContact CE2-CB 3.84Å; F441-R457 HydrophobicContact CZ-CB 4.06Å; R457-Y459 HydrophobicContact CB-CE2 4.3Å; R457-Y459 HydrophobicContact CG-CE1 4.4Å; R457-Y459 HydrophobicContact CG-CE2 4.39Å; R457-E629 IonicContact NE-OE2 3.31Å; R457-E629 PolarHBondContact NE-OE2 3.01Å; R457-E629 IonicContact NH2-OE2 2.61Å; R457-D630 IonicContact NH2-OD1 2.68Å
458	I	96.2	Very high	94.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119	171.8	-54.5	-61.6	0	0	0	106.7	L401 L433 G434 F435 G436 Q456 A464 Q467 L468	L401-I458 HydrophobicContact CD1-CG1 4.5Å; L433-I458 HydrophobicContact CB-CG1 4.18Å; G434-I458 PolarHBondContact O-N 2.8Å; F435-I458 WeakPolarHBondContact CA-O 3.42Å; F435-I458 HydrophobicContact CD1-CG2 4.41Å; F435-I458 HydrophobicContact CD2-CB 4.19Å; F435-I458 HydrophobicContact CD2-CG2 3.85Å; F435-I458 HydrophobicContact CE1-CG2 4.41Å; F435-I458 HydrophobicContact CE2-CG2 3.84Å; F435-I458 HydrophobicContact CG-CB 4.28Å; F435-I458 HydrophobicContact CG-CG2 4.14Å; F435-I458 HydrophobicContact CZ-CG2 4.15Å; G436-I458 PolarHBondContact N-O 2.85Å; Q456-I458 HydrophobicContact CG-CD1 4.3Å; I458-A464 HydrophobicContact CG2-CB 4.07Å; I458-Q467 HydrophobicContact CD1-CB 4.15Å; I458-Q467 HydrophobicContact CG2-CB 4.37Å; I458-L468 HydrophobicContact CD1-CD2 3.81Å; I458-L468 HydrophobicContact CD1-CG 4.29Å; I458-L468 HydrophobicContact CG1-CD2 3.74Å; I458-L468 HydrophobicContact CG1-CG 4.44Å; I458-L468 HydrophobicContact CG2-CD2 4.32Å; I458-L468 HydrophobicContact CG2-CG 4.23Å
459	Y	93	Very high	94.3	Very high	34 Å²	34	48.6 Å²	48.6	13%	0.133	23%	0.227	C	C	.	.			trans	-85.8	134	-175.9	-63.9	-92.5	0	0	0	110.4	R141 H437 R457 D461 Q467	R141-Y459 HydrophobicContact CB-CD2 4.02Å; R141-Y459 HydrophobicContact CB-CE1 4.32Å; R141-Y459 HydrophobicContact CB-CE2 3.53Å; R141-Y459 HydrophobicContact CG-CD1 3.92Å; R141-Y459 HydrophobicContact CG-CD2 3.5Å; R141-Y459 VanDerWaalsContact CG-CD2 3.5Å; R141-Y459 HydrophobicContact CG-CE1 3.97Å; R141-Y459 HydrophobicContact CG-CE2 3.53Å; R141-Y459 HydrophobicContact CG-CG 3.69Å; R141-Y459 PolarHBondContact O-OH 3.39Å; H437-Y459 AromaticContact CE1-CD1 3.92Å; H437-Y459 AromaticContact NE2-CE1 3.89Å; R457-Y459 HydrophobicContact CB-CE2 4.3Å; R457-Y459 HydrophobicContact CG-CE1 4.4Å; R457-Y459 HydrophobicContact CG-CE2 4.39Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 2.89Å; Y459-Q467 PolarHBondContact O-NE2 2.86Å
460	E	91.5	Very high	94.4	Very high	96 Å²	96	47.6 Å²	47.6	45%	0.449	23%	0.229	S	C	.	.	S	Bend	trans	-67.3	82	175.8	-68.4	-174	-156.7	0	0	111.3	K307 F435	K307-E460 HydrophobicContact CD-CG 4.07Å; K307-E460 WeakPolarHBondContact CD-OE1 3.3Å; K307-E460 WeakPolarHBondContact CE-OE1 3.35Å; K307-E460 HydrophobicContact CG-CG 4.25Å; K307-E460 IonicContact NZ-OE1 2.72Å; K307-E460 PolarHBondContact NZ-OE1 3.24Å; F435-E460 HydrophobicContact CD2-CG 3.82Å; F435-E460 HydrophobicContact CE2-CB 4.49Å; F435-E460 HydrophobicContact CE2-CG 3.86Å
461	D	91.6	Very high	94.5	Very high	84 Å²	84	45.3 Å²	45.3	45%	0.449	22%	0.218	S	C	.	.	S	Bend	trans	-146.2	172.5	-176.3	-156.5	-21	0	0	0	110	R141 Q310 Y459 D463 A464	R141-D461 IonicContact CZ-OD2 3.9Å; R141-D461 VanDerWaalsContact NH2-CG 3.3Å; R141-D461 IonicContact NH2-OD2 2.89Å; R141-D461 PolarHBondContact NH2-OD2 2.96Å; Q310-D461 PolarHBondContact NE2-O 2.88Å; Y459-D461 VanDerWaalsContact C-N 3.29Å; Y459-D461 PolarHBondContact O-N 2.89Å; D461-D463 PolarHBondContact O-N 3.36Å; D461-A464 PolarHBondContact O-N 3.33Å; D461-A464 VanDerWaalsContact O-N 3.17Å
462	R	90.3	Very high	94.5	Very high	232 Å²	232	46 Å²	46	88%	0.875	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.6	-176.7	-62.8	-176.2	-179.4	-174.3	0.6	113.4	Q310	Q310-R462 PolarHBondContact NE2-O 3.31Å
463	D	92.8	Very high	94.5	Very high	54 Å²	54	45.7 Å²	45.7	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	12.6	-176.6	74.9	-27.6	0	0	0	114.3	R141 D461 T465 Q466 Q467	R141-D463 IonicContact CZ-OD1 3.84Å; R141-D463 IonicContact CZ-OD2 3.56Å; R141-D463 VanDerWaalsContact NH1-CG 3.33Å; R141-D463 IonicContact NH1-OD1 3.16Å; R141-D463 PolarHBondContact NH1-OD1 2.86Å; R141-D463 VanDerWaalsContact NH1-OD1 3.11Å; R141-D463 IonicContact NH1-OD2 3.22Å; R141-D463 PolarHBondContact NH1-OD2 3.18Å; R141-D463 IonicContact NH2-OD1 3.85Å; R141-D463 PolarHBondContact NH2-OD1 2.76Å; R141-D463 IonicContact NH2-OD2 3.5Å; D461-D463 PolarHBondContact O-N 3.36Å; D463-T465 PolarHBondContact O-N 3Å; D463-Q466 WeakPolarHBondContact O-CA 3.46Å; D463-Q466 WeakPolarHBondContact O-CB 3.37Å; D463-Q466 PolarHBondContact O-N 2.87Å; D463-Q466 PolarHBondContact O-OE1 3.48Å; D463-Q467 WeakPolarHBondContact O-CG 3.44Å; D463-Q467 PolarHBondContact O-N 3.47Å; D463-Q467 PolarHBondContact OD1-NE2 2.63Å
464	A	94.1	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-34.9	-178.6	0	0	0	0	0	113	Q310 F435 I458 D461 Q466 Q467 L468	Q310-A464 HydrophobicContact CB-CB 4.37Å; F435-A464 HydrophobicContact CE2-CB 3.82Å; F435-A464 HydrophobicContact CZ-CB 3.53Å; I458-A464 HydrophobicContact CG2-CB 4.07Å; D461-A464 PolarHBondContact O-N 3.33Å; D461-A464 VanDerWaalsContact O-N 3.17Å; A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.38Å; A464-Q467 WeakPolarHBondContact O-CB 3.28Å; A464-Q467 PolarHBondContact O-N 2.93Å; A464-L468 WeakPolarHBondContact O-CG 3.29Å; A464-L468 PolarHBondContact O-N 3.08Å
465	T	95.8	Very high	94.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-55	-47.9	171.5	-55.3	0	0	0	0	110.9	Q310 E313 A314 D463 L468 Q469	Q310-T465 WeakPolarHBondContact CA-OG1 3.35Å; Q310-T465 WeakPolarHBondContact CB-OG1 3.31Å; Q310-T465 WeakPolarHBondContact CG-OG1 3.44Å; Q310-T465 PolarHBondContact O-OG1 3.48Å; E313-T465 HydrophobicContact CB-CG2 3.81Å; E313-T465 PolarHBondContact OE2-OG1 3.34Å; A314-T465 HydrophobicContact CB-CG2 4.19Å; D463-T465 PolarHBondContact O-N 3Å; T465-L468 PolarHBondContact O-N 2.95Å; T465-Q469 VanDerWaalsContact O-CG 3.3Å; T465-Q469 WeakPolarHBondContact O-CG 3.28Å; T465-Q469 PolarHBondContact O-N 2.99Å
466	Q	95.8	Very high	94.6	Very high	102 Å²	102	43.2 Å²	43.2	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-69.1	-35.2	179	-66.7	81.2	-13.6	0	0	112	D463 A464 Q469 G470	D463-Q466 WeakPolarHBondContact O-CA 3.46Å; D463-Q466 WeakPolarHBondContact O-CB 3.37Å; D463-Q466 PolarHBondContact O-N 2.87Å; D463-Q466 PolarHBondContact O-OE1 3.48Å; A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.38Å; Q466-Q469 PolarHBondContact O-N 3.02Å; Q466-G470 PolarHBondContact O-N 2.92Å
467	Q	95.3	Very high	94.7	Very high	32 Å²	32	44.9 Å²	44.9	15%	0.15	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-46.4	174.2	-65.1	175.3	61.4	0	0	111.1	R141 I458 Y459 D463 A464 G470 F471	R141-Q467 VanDerWaalsContact NH1-CD 3.26Å; R141-Q467 VanDerWaalsContact NH1-NE2 3.14Å; I458-Q467 HydrophobicContact CD1-CB 4.15Å; I458-Q467 HydrophobicContact CG2-CB 4.37Å; Y459-Q467 PolarHBondContact O-NE2 2.86Å; D463-Q467 WeakPolarHBondContact O-CG 3.44Å; D463-Q467 PolarHBondContact O-N 3.47Å; D463-Q467 PolarHBondContact OD1-NE2 2.63Å; A464-Q467 WeakPolarHBondContact O-CB 3.28Å; A464-Q467 PolarHBondContact O-N 2.93Å; Q467-G470 PolarHBondContact O-N 3.24Å; Q467-F471 PolarHBondContact O-N 3.46Å
468	L	95.6	Very high	94.8	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-46.8	176.4	-70	168.4	0	0	0	111.8	A314 L401 L433 I458 A464 T465 G470 F471 Y472	A314-L468 HydrophobicContact CB-CB 3.68Å; A314-L468 HydrophobicContact CB-CD1 3.66Å; A314-L468 HydrophobicContact CB-CG 4.33Å; L401-L468 HydrophobicContact CD1-CD2 3.96Å; L401-L468 HydrophobicContact CD2-CD2 4.41Å; L433-L468 HydrophobicContact CD1-CD2 3.73Å; I458-L468 HydrophobicContact CD1-CD2 3.81Å; I458-L468 HydrophobicContact CD1-CG 4.29Å; I458-L468 HydrophobicContact CG1-CD2 3.74Å; I458-L468 HydrophobicContact CG1-CG 4.44Å; I458-L468 HydrophobicContact CG2-CD2 4.32Å; I458-L468 HydrophobicContact CG2-CG 4.23Å; A464-L468 WeakPolarHBondContact O-CG 3.29Å; A464-L468 PolarHBondContact O-N 3.08Å; T465-L468 PolarHBondContact O-N 2.95Å; L468-G470 VanDerWaalsContact C-N 3.34Å; L468-G470 PolarHBondContact O-N 2.92Å; L468-F471 PolarHBondContact O-N 2.95Å; L468-Y472 PolarHBondContact O-N 3.47Å
469	Q	95.7	Very high	94.9	Very high	39 Å²	39	44.9 Å²	44.9	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-41.5	176	-68.7	-174.3	-89.1	0	0	112.3	K317 T465 Q466 F471 Y472 S473	K317-Q469 HydrophobicContact CD-CG 4.49Å; K317-Q469 VanDerWaalsContact CD-OE1 3.31Å; T465-Q469 VanDerWaalsContact O-CG 3.3Å; T465-Q469 WeakPolarHBondContact O-CG 3.28Å; T465-Q469 PolarHBondContact O-N 2.99Å; Q466-Q469 PolarHBondContact O-N 3.02Å; Q469-F471 VanDerWaalsContact C-N 3.34Å; Q469-Y472 PolarHBondContact O-N 3.04Å; Q469-S473 WeakPolarHBondContact O-CB 3.47Å; Q469-S473 PolarHBondContact O-N 2.87Å; Q469-S473 PolarHBondContact O-OG 3.27Å
470	G	94.3	Very high	95.1	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	21%	0.212	S	C	.	.	H	α-helix	trans	-66.8	-34.3	178.7	0	0	0	0	0	112.6	Q466 Q467 L468 Q474	Q466-G470 PolarHBondContact O-N 2.92Å; Q467-G470 PolarHBondContact O-N 3.24Å; L468-G470 VanDerWaalsContact C-N 3.34Å; L468-G470 PolarHBondContact O-N 2.92Å; G470-Q474 WeakPolarHBondContact O-CG 3.22Å; G470-Q474 PolarHBondContact O-NE2 3.4Å; G470-Q474 VanDerWaalsContact O-NE2 3.1Å
471	F	95.9	Very high	95.4	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-52.7	169.6	174.2	-92.3	0	0	0	111.2	Y431 L433 Q456 Q467 L468 Q469 S473 Q474 V475	Y431-F471 HydrophobicContact CD1-CE2 4.43Å; Y431-F471 AromaticContact CD1-CZ 3.73Å; Y431-F471 HydrophobicContact CD1-CZ 3.73Å; Y431-F471 HydrophobicContact CD2-CZ 4.48Å; Y431-F471 HydrophobicContact CG-CE1 4.32Å; Y431-F471 AromaticContact CG-CZ 3.69Å; Y431-F471 HydrophobicContact CG-CZ 3.69Å; L433-F471 HydrophobicContact CD1-CD1 4Å; L433-F471 HydrophobicContact CD1-CE1 4.37Å; L433-F471 HydrophobicContact CD2-CD1 3.63Å; L433-F471 HydrophobicContact CD2-CD2 3.97Å; L433-F471 HydrophobicContact CD2-CE1 3.73Å; L433-F471 HydrophobicContact CD2-CE2 4.05Å; L433-F471 HydrophobicContact CD2-CG 3.77Å; L433-F471 HydrophobicContact CD2-CZ 3.96Å; L433-F471 HydrophobicContact CG-CD1 4.38Å; L433-F471 HydrophobicContact CG-CE1 4.44Å; Q456-F471 HydrophobicContact CB-CD2 3.73Å; Q456-F471 HydrophobicContact CB-CE2 3.95Å; Q456-F471 HydrophobicContact CG-CD2 3.85Å; Q456-F471 HydrophobicContact CG-CG 4.48Å; Q467-F471 PolarHBondContact O-N 3.46Å; L468-F471 PolarHBondContact O-N 2.95Å; Q469-F471 VanDerWaalsContact C-N 3.34Å; F471-S473 VanDerWaalsContact C-N 3.26Å; F471-S473 PolarHBondContact O-N 3.33Å; F471-Q474 VanDerWaalsContact O-CB 3.31Å; F471-Q474 WeakPolarHBondContact O-CB 3.36Å; F471-Q474 PolarHBondContact O-N 2.84Å; F471-V475 HydrophobicContact CE1-CG2 4.06Å; F471-V475 HydrophobicContact CZ-CG1 4.35Å; F471-V475 HydrophobicContact CZ-CG2 4.47Å
472	Y	95.9	Very high	95.7	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-42	-178.2	177.9	-105.9	0	0	0	111.5	K291 F295 I318 I399 L468 Q469 Q474 V475 A476	K291-Y472 WeakPolarHBondContact CE-OH 3.45Å; F295-Y472 HydrophobicContact CE1-CD2 4.25Å; F295-Y472 HydrophobicContact CE1-CE2 4.23Å; F295-Y472 HydrophobicContact CZ-CD2 4.36Å; F295-Y472 AromaticContact CZ-CE2 3.89Å; F295-Y472 HydrophobicContact CZ-CE2 3.89Å; I318-Y472 HydrophobicContact CB-CD1 4.33Å; I318-Y472 HydrophobicContact CB-CE1 4.38Å; I318-Y472 HydrophobicContact CD1-CD1 4.32Å; I318-Y472 HydrophobicContact CD1-CD2 4.44Å; I318-Y472 HydrophobicContact CD1-CG 3.96Å; I318-Y472 HydrophobicContact CG1-CD1 3.74Å; I318-Y472 HydrophobicContact CG1-CE1 4.28Å; I318-Y472 HydrophobicContact CG1-CG 3.92Å; I318-Y472 HydrophobicContact CG2-CD1 3.93Å; I318-Y472 HydrophobicContact CG2-CD2 4.16Å; I318-Y472 HydrophobicContact CG2-CE1 3.65Å; I318-Y472 HydrophobicContact CG2-CE2 3.92Å; I318-Y472 HydrophobicContact CG2-CG 4.16Å; I399-Y472 HydrophobicContact CD1-CD2 3.86Å; I399-Y472 HydrophobicContact CD1-CE2 4.27Å; L468-Y472 PolarHBondContact O-N 3.47Å; Q469-Y472 PolarHBondContact O-N 3.04Å; Y472-Q474 PolarHBondContact O-N 3.15Å; Y472-V475 HydrophobicContact CD2-CG2 4.49Å; Y472-V475 CarbonylContact O-C 3.55Å; Y472-V475 WeakPolarHBondContact O-CG2 3.28Å; Y472-V475 PolarHBondContact O-N 2.96Å; Y472-A476 HydrophobicContact CD1-CB 3.91Å; Y472-A476 HydrophobicContact CE1-CB 3.56Å; Y472-A476 HydrophobicContact CE2-CB 4.32Å; Y472-A476 HydrophobicContact CG-CB 4.44Å; Y472-A476 VanDerWaalsContact O-CB 3.27Å; Y472-A476 WeakPolarHBondContact O-CB 3.48Å; Y472-A476 PolarHBondContact O-N 2.78Å
473	S	95.6	Very high	96.1	Very high	62 Å²	62	28.6 Å²	28.6	43%	0.434	15%	0.154	S	C	.	.	H	α-helix	trans	-58	-23.1	177.5	-59.3	0	0	0	0	113.8	Q469 F471	Q469-S473 WeakPolarHBondContact O-CB 3.47Å; Q469-S473 PolarHBondContact O-N 2.87Å; Q469-S473 PolarHBondContact O-OG 3.27Å; F471-S473 VanDerWaalsContact C-N 3.26Å; F471-S473 PolarHBondContact O-N 3.33Å
474	Q	95.9	Very high	96.3	Very high	33 Å²	33	27.1 Å²	27.1	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-79	-20.3	175.6	-64.5	166.7	41.5	0	0	113.4	L172 G470 F471 Y472 Y504	L172-Q474 HydrophobicContact CD2-CG 4.22Å; L172-Q474 HydrophobicContact CG-CG 4.49Å; G470-Q474 WeakPolarHBondContact O-CG 3.22Å; G470-Q474 PolarHBondContact O-NE2 3.4Å; G470-Q474 VanDerWaalsContact O-NE2 3.1Å; F471-Q474 VanDerWaalsContact O-CB 3.31Å; F471-Q474 WeakPolarHBondContact O-CB 3.36Å; F471-Q474 PolarHBondContact O-N 2.84Å; Y472-Q474 PolarHBondContact O-N 3.15Å; Q474-Y504 VanDerWaalsContact O-CB 3.3Å; Q474-Y504 WeakPolarHBondContact O-CB 3.13Å
475	V	96.3	Very high	96.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-120.8	-4.5	-176.2	-60.1	0	0	0	0	113.1	I397 I399 Y431 F471 Y472 K477 Y504	I397-V475 WeakPolarHBondContact CD1-O 3.33Å; I399-V475 HydrophobicContact CD1-CG2 4.24Å; Y431-V475 HydrophobicContact CD2-CG1 4.33Å; Y431-V475 HydrophobicContact CE1-CG1 4.12Å; Y431-V475 HydrophobicContact CE2-CB 4.11Å; Y431-V475 HydrophobicContact CE2-CG1 3.78Å; F471-V475 HydrophobicContact CE1-CG2 4.06Å; F471-V475 HydrophobicContact CZ-CG1 4.35Å; F471-V475 HydrophobicContact CZ-CG2 4.47Å; Y472-V475 HydrophobicContact CD2-CG2 4.49Å; Y472-V475 CarbonylContact O-C 3.55Å; Y472-V475 WeakPolarHBondContact O-CG2 3.28Å; Y472-V475 PolarHBondContact O-N 2.96Å; V475-K477 VanDerWaalsContact C-N 3.26Å; V475-K477 PolarHBondContact O-N 3.21Å; V475-Y504 HydrophobicContact CB-CD1 4.29Å; V475-Y504 HydrophobicContact CB-CE1 3.99Å; V475-Y504 HydrophobicContact CG1-CD2 4.48Å; V475-Y504 HydrophobicContact CG1-CE2 4.17Å; V475-Y504 VanDerWaalsContact O-CD1 3.3Å; V475-Y504 WeakPolarHBondContact O-CD1 3.33Å; V475-Y504 VanDerWaalsContact O-CE1 3.22Å; V475-Y504 WeakPolarHBondContact O-CE1 3.48Å
476	A	95.4	Very high	96.7	Very high	13 Å²	13	29.9 Å²	29.9	11%	0.107	16%	0.159	C	C	.	.	S	Bend	trans	-68.3	-20.1	-173.5	0	0	0	0	0	114.7	K291 Y472	K291-A476 WeakPolarHBondContact CD-O 3.3Å; K291-A476 WeakPolarHBondContact CE-O 3.41Å; K291-A476 PolarHBondContact NZ-O 2.99Å; Y472-A476 HydrophobicContact CD1-CB 3.91Å; Y472-A476 HydrophobicContact CE1-CB 3.56Å; Y472-A476 HydrophobicContact CE2-CB 4.32Å; Y472-A476 HydrophobicContact CG-CB 4.44Å; Y472-A476 VanDerWaalsContact O-CB 3.27Å; Y472-A476 WeakPolarHBondContact O-CB 3.48Å; Y472-A476 PolarHBondContact O-N 2.78Å
477	K	96.8	Very high	96.8	Very high	95 Å²	95	26.1 Å²	26.1	41%	0.413	14%	0.14	S	C	.	.			trans	-129.6	75.7	-171.5	-61.9	-176.6	-177.7	-175.7	0	111.4	V475 Y504 E505	V475-K477 VanDerWaalsContact C-N 3.26Å; V475-K477 PolarHBondContact O-N 3.21Å; K477-Y504 CarbonylContact O-C 3.56Å; K477-Y504 WeakPolarHBondContact O-CA 3.37Å; K477-E505 HydrophobicContact CB-CB 3.9Å; K477-E505 HydrophobicContact CD-CB 4.32Å; K477-E505 WeakPolarHBondContact CD-OE2 3.32Å; K477-E505 IonicContact NZ-OE2 3.93Å; K477-E505 PolarHBondContact NZ-OE2 2.96Å; K477-E505 PolarHBondContact O-N 3.08Å
478	P	97.7	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139	171.5	26.6	-30.8	0	0	0	110.3	M289 K291 A395 I397 Y504	M289-P478 HydrophobicContact CB-CG 4.39Å; M289-P478 PolarHBondContact N-O 3.37Å; K291-P478 HydrophobicContact CB-CG 4.12Å; A395-P478 HydrophobicContact CB-CB 3.57Å; A395-P478 HydrophobicContact CB-CG 3.41Å; A395-P478 VanDerWaalsContact CB-CG 3.41Å; I397-P478 HydrophobicContact CD1-CG 4.47Å; P478-Y504 HydrophobicContact CB-CD1 4.04Å; P478-Y504 HydrophobicContact CB-CE1 4.02Å
479	L	97.8	Very high	96.6	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-34.5	179.1	-61.8	-178.8	0	0	0	112.2	L286 N288 Y503 E505	L286-L479 HydrophobicContact CB-CB 4.35Å; L286-L479 HydrophobicContact CB-CD1 4.44Å; L286-L479 HydrophobicContact CB-CD2 4.36Å; L286-L479 HydrophobicContact CD1-CB 4.13Å; N288-L479 WeakPolarHBondContact OD1-CD2 3.5Å; L479-Y503 HydrophobicContact CB-CD1 3.93Å; L479-Y503 HydrophobicContact CB-CE1 4.13Å; L479-Y503 HydrophobicContact CD1-CD1 4.26Å; L479-Y503 HydrophobicContact CD1-CE1 3.64Å; L479-Y503 HydrophobicContact CG-CE1 4.42Å; L479-Y503 PolarHBondContact N-O 2.78Å; L479-E505 HydrophobicContact CD1-CB 3.87Å; L479-E505 HydrophobicContact CD1-CG 4.25Å; L479-E505 HydrophobicContact CD2-CB 4.32Å; L479-E505 HydrophobicContact CG-CB 4.13Å
480	L	98.1	Very high	96.4	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	149.1	178.3	-63.9	171.3	0	0	0	109.8	F281 P283 L286 V483 Q502 Y503 A529 H530 F536	F281-L480 HydrophobicContact CE1-CD1 3.94Å; F281-L480 HydrophobicContact CZ-CD1 3.86Å; P283-L480 HydrophobicContact CG-CD1 3.98Å; L286-L480 HydrophobicContact CD1-CD1 3.9Å; L286-L480 HydrophobicContact CD1-CD2 4.11Å; L286-L480 HydrophobicContact CD1-CG 3.8Å; L480-V483 HydrophobicContact CB-CG2 3.99Å; L480-Q502 CarbonylContact O-C 3.38Å; L480-Q502 WeakPolarHBondContact O-CA 3.1Å; L480-Y503 HydrophobicContact CD1-CD1 4.28Å; L480-Y503 HydrophobicContact CG-CD1 4.46Å; L480-Y503 PolarHBondContact N-O 3.47Å; L480-Y503 PolarHBondContact O-N 3.2Å; L480-A529 HydrophobicContact CB-CB 4.07Å; L480-A529 HydrophobicContact CD1-CB 4.1Å; L480-A529 HydrophobicContact CD2-CB 4.25Å; L480-A529 HydrophobicContact CG-CB 4.38Å; L480-H530 CarbonylContact C-O 3.48Å; L480-H530 WeakPolarHBondContact CA-O 3.49Å; L480-F536 HydrophobicContact CD1-CD1 4.23Å; L480-F536 HydrophobicContact CD1-CD2 4.43Å; L480-F536 HydrophobicContact CD1-CE1 4.49Å; L480-F536 HydrophobicContact CD1-CG 4.21Å; L480-F536 HydrophobicContact CD2-CB 3.86Å; L480-F536 HydrophobicContact CD2-CD2 4.32Å; L480-F536 HydrophobicContact CD2-CG 4.09Å
481	V	97.8	Very high	96.3	Very high	22 Å²	22	36.4 Å²	36.4	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.2	171.6	-54.4	0	0	0	0	110.9	M289 A395 V483 K501 Q502 H530	M289-V481 HydrophobicContact CE-CG1 3.89Å; M289-V481 HydrophobicContact CE-CG2 4.4Å; M289-V481 HydrophobicContact SD-CG1 3.96Å; A395-V481 HydrophobicContact CB-CG1 3.94Å; V481-V483 PolarHBondContact O-N 2.84Å; V481-K501 CarbonylContact C-O 3.5Å; V481-K501 VanDerWaalsContact CA-O 3.32Å; V481-K501 WeakPolarHBondContact CA-O 3.4Å; V481-Q502 HydrophobicContact CG1-CG 4.09Å; V481-H530 HydrophobicContact CG2-CB 3.91Å; V481-H530 PolarHBondContact N-O 3.16Å; V481-H530 PolarHBondContact O-N 3.42Å
482	D	97	Very high	96.3	Very high	76 Å²	76	37.8 Å²	37.8	41%	0.406	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.3	52.6	177.4	-67.3	-50.2	0	0	0	113.2	D484 K501	D482-D484 PolarHBondContact O-N 3.05Å; D482-K501 VanDerWaalsContact CG-NZ 3.27Å; D482-K501 PolarHBondContact N-O 3.28Å; D482-K501 WeakPolarHBondContact OD1-CD 3.32Å; D482-K501 WeakPolarHBondContact OD1-CE 3.2Å; D482-K501 IonicContact OD1-NZ 3.37Å; D482-K501 PolarHBondContact OD1-NZ 3.09Å; D482-K501 IonicContact OD2-NZ 3.98Å; D482-K501 PolarHBondContact OD2-NZ 3.24Å
483	V	98.3	Very high	96.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	112.8	178.8	-171.4	0	0	0	0	109.5	F281 L480 V481 L485 R499 H500 I509 V527 R528 A529	F281-V483 HydrophobicContact CD1-CG1 4.07Å; F281-V483 HydrophobicContact CE1-CG1 3.78Å; L480-V483 HydrophobicContact CB-CG2 3.99Å; V481-V483 PolarHBondContact O-N 2.84Å; V483-L485 HydrophobicContact CG1-CD1 3.87Å; V483-R499 WeakPolarHBondContact O-CA 3.41Å; V483-H500 HydrophobicContact CB-CB 4.35Å; V483-H500 PolarHBondContact N-O 2.85Å; V483-H500 PolarHBondContact O-N 3.48Å; V483-I509 HydrophobicContact CB-CD1 4.08Å; V483-I509 HydrophobicContact CG1-CD1 3.96Å; V483-I509 HydrophobicContact CG2-CD1 4.16Å; V483-V527 HydrophobicContact CG1-CG1 4.05Å; V483-R528 CarbonylContact C-O 3.56Å; V483-R528 WeakPolarHBondContact CA-O 3.49Å; V483-A529 HydrophobicContact CB-CB 4.27Å; V483-A529 HydrophobicContact CG1-CB 4.42Å; V483-A529 HydrophobicContact CG2-CB 3.88Å
484	D	98.3	Very high	96.2	Very high	24 Å²	24	41 Å²	41	13%	0.128	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112.7	177.1	-168.4	25.3	0	0	0	109.4	D482 Q486 R499 V527 R528	D482-D484 PolarHBondContact O-N 3.05Å; D484-Q486 PolarHBondContact OD2-NE2 2.66Å; D484-R499 HydrophobicContact CB-CG 4.43Å; D484-R499 WeakPolarHBondContact OD1-CG 3.49Å; D484-R499 IonicContact OD1-CZ 3.9Å; D484-R499 IonicContact OD1-NE 3.67Å; D484-R499 PolarHBondContact OD1-NE 2.84Å; D484-R499 IonicContact OD1-NH2 3.86Å; D484-R499 IonicContact OD2-CZ 3.69Å; D484-R499 IonicContact OD2-NE 3.86Å; D484-R499 IonicContact OD2-NH2 3.29Å; D484-R499 PolarHBondContact OD2-NH2 3.06Å; D484-V527 WeakPolarHBondContact O-CA 3.16Å; D484-R528 PolarHBondContact N-O 3.38Å; D484-R528 PolarHBondContact O-N 2.94Å
485	L	98.4	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.4	174.5	-61.5	92.9	0	0	0	108.6	F281 V483 Y487 N498 I509 V511 V527	F281-L485 HydrophobicContact CB-CD2 4.08Å; V483-L485 HydrophobicContact CG1-CD1 3.87Å; L485-Y487 HydrophobicContact CB-CE2 3.82Å; L485-Y487 WeakPolarHBondContact O-CD2 3.48Å; L485-Y487 WeakPolarHBondContact O-CE2 3.47Å; L485-N498 HydrophobicContact CB-CB 4.44Å; L485-N498 VanDerWaalsContact CD1-O 3.29Å; L485-N498 WeakPolarHBondContact CD1-O 3.39Å; L485-N498 PolarHBondContact N-O 3.02Å; L485-N498 WeakPolarHBondContact O-CB 3.27Å; L485-N498 PolarHBondContact O-ND2 2.89Å; L485-I509 HydrophobicContact CD1-CG2 3.9Å; L485-I509 HydrophobicContact CD2-CG2 4.48Å; L485-V511 HydrophobicContact CB-CG2 4.45Å; L485-V511 HydrophobicContact CD1-CG2 4.16Å; L485-V511 HydrophobicContact CD2-CG2 3.91Å; L485-V511 HydrophobicContact CG-CG2 4.41Å; L485-V527 HydrophobicContact CD2-CG2 4.13Å; L485-V527 HydrophobicContact CG-CG1 4.27Å; L485-V527 HydrophobicContact CG-CG2 4.1Å
486	Q	98.2	Very high	96.3	Very high	60 Å²	60	42.1 Å²	42.1	28%	0.28	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134	-173.7	-57.6	178.3	-7.1	0	0	110.2	D484 A525 D526	D484-Q486 PolarHBondContact OD2-NE2 2.66Å; Q486-A525 CarbonylContact O-C 3.56Å; Q486-A525 WeakPolarHBondContact O-CA 3.49Å; Q486-D526 WeakPolarHBondContact CA-O 3.33Å; Q486-D526 HydrophobicContact CB-CB 4.3Å; Q486-D526 WeakPolarHBondContact CB-O 3.29Å; Q486-D526 PolarHBondContact N-O 2.82Å; Q486-D526 PolarHBondContact O-N 2.79Å
487	Y	97.6	Very high	96.3	Very high	24 Å²	24	46.2 Å²	46.2	9%	0.094	24%	0.238	C	C	.	.			trans	-128.2	150.3	179.8	-56.7	-90.6	0	0	0	109.3	F277 H279 L485 Q489 L495 N498 V511 F523 A525	F277-Y487 HydrophobicContact CD2-CE1 4.27Å; F277-Y487 AromaticContact CE2-CD1 3.98Å; F277-Y487 HydrophobicContact CE2-CD1 3.98Å; F277-Y487 AromaticContact CE2-CE1 3.34Å; F277-Y487 HydrophobicContact CE2-CE1 3.34Å; F277-Y487 AromaticContact CE2-CZ 3.69Å; F277-Y487 AromaticContact CZ-CD1 3.79Å; F277-Y487 HydrophobicContact CZ-CD1 3.79Å; F277-Y487 AromaticContact CZ-CE1 3.62Å; F277-Y487 HydrophobicContact CZ-CE1 3.62Å; F277-Y487 HydrophobicContact CZ-CG 4.27Å; H279-Y487 WeakPolarHBondContact CB-OH 3.48Å; H279-Y487 AromaticContact ND1-CE1 3.95Å; H279-Y487 AromaticContact ND1-CZ 3.79Å; H279-Y487 PolarHBondContact ND1-OH 2.88Å; L485-Y487 HydrophobicContact CB-CE2 3.82Å; L485-Y487 WeakPolarHBondContact O-CD2 3.48Å; L485-Y487 WeakPolarHBondContact O-CE2 3.47Å; Y487-Q489 PolarHBondContact O-N 3.45Å; Y487-L495 HydrophobicContact CD2-CD1 4.15Å; Y487-L495 HydrophobicContact CD2-CD2 3.72Å; Y487-L495 HydrophobicContact CE2-CD1 4.15Å; Y487-L495 HydrophobicContact CE2-CD2 4.1Å; Y487-N498 HydrophobicContact CE2-CB 4.28Å; Y487-V511 HydrophobicContact CE2-CG1 3.83Å; Y487-V511 WeakPolarHBondContact OH-CB 3.34Å; Y487-V511 WeakPolarHBondContact OH-CG1 3.41Å; Y487-F523 AromaticContact CD1-CE1 3.89Å; Y487-F523 HydrophobicContact CD1-CE1 3.89Å; Y487-F523 AromaticContact CD1-CZ 3.55Å; Y487-F523 HydrophobicContact CD1-CZ 3.55Å; Y487-F523 HydrophobicContact CE1-CE1 4.28Å; Y487-F523 HydrophobicContact CE1-CZ 4.29Å; Y487-F523 HydrophobicContact CG-CZ 4.3Å; Y487-A525 HydrophobicContact CD1-CB 3.8Å; Y487-A525 HydrophobicContact CE1-CB 3.49Å; Y487-A525 VanDerWaalsContact CE1-CB 3.49Å
488	P	95.8	Very high	96.3	Very high	30 Å²	30	44 Å²	44	20%	0.195	23%	0.231	C	C	.	.			trans	-59.6	121.7	178.2	-21	31.1	0	0	0	111.6	D490 A491 V492 K524	P488-D490 WeakPolarHBondContact CB-OD1 3.25Å; P488-D490 PolarHBondContact O-N 2.93Å; P488-A491 HydrophobicContact CB-CB 4.02Å; P488-A491 PolarHBondContact O-N 3.15Å; P488-V492 PolarHBondContact O-N 3.07Å; P488-K524 VanDerWaalsContact CD-O 3.23Å; P488-K524 WeakPolarHBondContact CD-O 3.37Å; P488-K524 HydrophobicContact CG-CG 3.8Å
489	Q	91.9	Very high	96.3	Very high	188 Å²	188	51.6 Å²	51.6	88%	0.879	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	-175.8	-71.5	-174.3	-10.6	0	0	112.9	Y487 A491	Y487-Q489 PolarHBondContact O-N 3.45Å; Q489-A491 PolarHBondContact O-N 2.99Å
490	D	91.7	Very high	96.2	Very high	100 Å²	100	53 Å²	53	54%	0.535	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.5	177.2	69.7	-46.4	0	0	0	113.4	P488 K519	P488-D490 WeakPolarHBondContact CB-OD1 3.25Å; P488-D490 PolarHBondContact O-N 2.93Å; D490-K519 WeakPolarHBondContact OD2-CE 3.36Å; D490-K519 IonicContact OD2-NZ 2.71Å; D490-K519 PolarHBondContact OD2-NZ 3.44Å
491	A	92.9	Very high	96.2	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-14.8	-178.9	0	0	0	0	0	113.8	P488 Q489 I515 A516 K519 F523	P488-A491 HydrophobicContact CB-CB 4.02Å; P488-A491 PolarHBondContact O-N 3.15Å; Q489-A491 PolarHBondContact O-N 2.99Å; A491-I515 CarbonylContact O-C 3.52Å; A491-I515 WeakPolarHBondContact O-CA 3.42Å; A491-I515 VanDerWaalsContact O-CG2 3.31Å; A491-I515 WeakPolarHBondContact O-CG2 3.17Å; A491-A516 PolarHBondContact O-N 2.84Å; A491-K519 HydrophobicContact CB-CB 3.77Å; A491-K519 HydrophobicContact CB-CG 4.3Å; A491-F523 HydrophobicContact CB-CD2 3.92Å; A491-F523 HydrophobicContact CB-CE2 4.11Å
492	V	96	Very high	96.2	Very high	32 Å²	32	54.2 Å²	54.2	19%	0.194	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.4	-173.1	177.1	0	0	0	0	111.3	P488 L495 F523	P488-V492 PolarHBondContact O-N 3.07Å; V492-L495 HydrophobicContact CG1-CB 3.84Å; V492-L495 HydrophobicContact CG1-CD1 4.37Å; V492-L495 HydrophobicContact CG1-CG 4.5Å; V492-F523 HydrophobicContact CG2-CE2 3.85Å; V492-F523 HydrophobicContact CG2-CZ 4.19Å
493	L	94.9	Very high	96.2	Very high	107 Å²	107	50.8 Å²	50.8	56%	0.56	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	-36.9	174.4	-65.3	178.8	0	0	0	112.6	R514 A516	L493-R514 HydrophobicContact CB-CG 4.49Å; L493-R514 HydrophobicContact CD1-CG 4.36Å; L493-R514 PolarHBondContact N-O 3.27Å; L493-A516 HydrophobicContact CD1-CB 4.46Å; L493-A516 HydrophobicContact CD2-CB 4.05Å; L493-A516 HydrophobicContact CG-CB 4.01Å
494	A	94.6	Very high	96.2	Very high	37 Å²	37	51.2 Å²	51.2	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	145.4	178.2	0	0	0	0	0	109.9	G513 R514 W566	A494-G513 CarbonylContact O-C 3.56Å; A494-G513 WeakPolarHBondContact O-CA 3.25Å; A494-R514 HydrophobicContact CB-CB 4.41Å; A494-R514 PolarHBondContact N-O 2.84Å; A494-R514 PolarHBondContact O-N 2.83Å; A494-W566 HydrophobicContact CB-CZ2 3.94Å
495	L	96.7	Very high	96.1	Very high	52 Å²	52	52.5 Å²	52.5	27%	0.272	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.2	-174.2	-166.6	66.5	0	0	0	110.6	F277 Y487 V492 N498 V511	F277-L495 HydrophobicContact CE1-CD1 4Å; F277-L495 HydrophobicContact CE2-CD1 4.11Å; F277-L495 HydrophobicContact CZ-CD1 3.27Å; Y487-L495 HydrophobicContact CD2-CD1 4.15Å; Y487-L495 HydrophobicContact CD2-CD2 3.72Å; Y487-L495 HydrophobicContact CE2-CD1 4.15Å; Y487-L495 HydrophobicContact CE2-CD2 4.1Å; V492-L495 HydrophobicContact CG1-CB 3.84Å; V492-L495 HydrophobicContact CG1-CD1 4.37Å; V492-L495 HydrophobicContact CG1-CG 4.5Å; L495-N498 HydrophobicContact CD2-CB 3.79Å; L495-V511 HydrophobicContact CD1-CG1 3.61Å; L495-V511 HydrophobicContact CG-CG1 4.06Å
496	T	97.4	Very high	95.9	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.043	26%	0.259	C	S	.	.			trans	-76.5	178.3	167.7	61.5	0	0	0	0	111.4	N498 V511 A512 L569 E573	T496-N498 PolarHBondContact O-N 2.82Å; T496-N498 VanDerWaalsContact O-N 3.09Å; T496-V511 WeakPolarHBondContact OG1-CA 3.48Å; T496-A512 HydrophobicContact CG2-CB 4.38Å; T496-A512 PolarHBondContact N-O 3.42Å; T496-A512 PolarHBondContact OG1-N 3.34Å; T496-A512 PolarHBondContact OG1-O 3.07Å; T496-L569 HydrophobicContact CG2-CB 3.92Å; T496-E573 WeakPolarHBondContact CA-OE2 3.49Å; T496-E573 WeakPolarHBondContact CB-OE2 3.49Å
497	Q	94.9	Very high	95.9	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	26%	0.255	S	S	.	.			trans	-53	118.2	176.9	-178.7	175.5	-9	0	0	111.9	R499 H500 E573	Q497-R499 WeakPolarHBondContact CG-O 3.18Å; Q497-R499 PolarHBondContact NE2-O 2.79Å; Q497-H500 PolarHBondContact O-NE2 3.42Å; Q497-E573 PolarHBondContact N-OE1 2.8Å; Q497-E573 PolarHBondContact N-OE2 2.8Å
498	N	96.9	Very high	95.9	Very high	48 Å²	48	51.1 Å²	51.1	26%	0.257	26%	0.256	S	S	.	.			trans	-110.8	-2.1	-176.5	71.8	-42.7	0	0	0	113.8	L485 Y487 L495 T496 V511	L485-N498 HydrophobicContact CB-CB 4.44Å; L485-N498 VanDerWaalsContact CD1-O 3.29Å; L485-N498 WeakPolarHBondContact CD1-O 3.39Å; L485-N498 PolarHBondContact N-O 3.02Å; L485-N498 WeakPolarHBondContact O-CB 3.27Å; L485-N498 PolarHBondContact O-ND2 2.89Å; Y487-N498 HydrophobicContact CE2-CB 4.28Å; L495-N498 HydrophobicContact CD2-CB 3.79Å; T496-N498 PolarHBondContact O-N 2.82Å; T496-N498 VanDerWaalsContact O-N 3.09Å; N498-V511 HydrophobicContact CB-CG1 4.29Å
499	R	96.6	Very high	96	Very high	160 Å²	160	50.1 Å²	50.1	60%	0.604	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.5	173.9	-74.2	-179	173.2	-171.4	-5	110.5	V483 D484 Q497	V483-R499 WeakPolarHBondContact O-CA 3.41Å; D484-R499 HydrophobicContact CB-CG 4.43Å; D484-R499 WeakPolarHBondContact OD1-CG 3.49Å; D484-R499 IonicContact OD1-CZ 3.9Å; D484-R499 IonicContact OD1-NE 3.67Å; D484-R499 PolarHBondContact OD1-NE 2.84Å; D484-R499 IonicContact OD1-NH2 3.86Å; D484-R499 IonicContact OD2-CZ 3.69Å; D484-R499 IonicContact OD2-NE 3.86Å; D484-R499 IonicContact OD2-NH2 3.29Å; D484-R499 PolarHBondContact OD2-NH2 3.06Å; Q497-R499 WeakPolarHBondContact CG-O 3.18Å; Q497-R499 PolarHBondContact NE2-O 2.79Å
500	H	97.1	Very high	96.3	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.185	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.3	-175.3	-63.8	-89.4	0	0	0	109.6	V483 Q497 Q502 I509	V483-H500 HydrophobicContact CB-CB 4.35Å; V483-H500 PolarHBondContact N-O 2.85Å; V483-H500 PolarHBondContact O-N 3.48Å; Q497-H500 PolarHBondContact O-NE2 3.42Å; H500-Q502 PolarHBondContact O-N 2.83Å; H500-I509 HydrophobicContact CB-CD1 3.57Å; H500-I509 HydrophobicContact CB-CG1 4.14Å; H500-I509 VanDerWaalsContact CD2-CG2 3.43Å; H500-I509 WeakPolarHBondContact CD2-CG2 3.39Å; H500-I509 WeakPolarHBondContact NE2-CG2 3.47Å
501	K	96.9	Very high	96.6	Very high	32 Å²	32	38.1 Å²	38.1	14%	0.139	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-36.8	-169.9	-173.8	58.5	-175.5	173.5	0	113.3	G426 R427 N452 V481 D482	G426-K501 WeakPolarHBondContact O-CE 3.41Å; G426-K501 PolarHBondContact O-NZ 2.88Å; R427-K501 VanDerWaalsContact C-CE 3.41Å; R427-K501 WeakPolarHBondContact O-CE 3.44Å; R427-K501 PolarHBondContact O-NZ 2.74Å; N452-K501 HydrophobicContact CB-CB 3.57Å; N452-K501 HydrophobicContact CB-CG 3.9Å; V481-K501 CarbonylContact C-O 3.5Å; V481-K501 VanDerWaalsContact CA-O 3.32Å; V481-K501 WeakPolarHBondContact CA-O 3.4Å; D482-K501 VanDerWaalsContact CG-NZ 3.27Å; D482-K501 PolarHBondContact N-O 3.28Å; D482-K501 WeakPolarHBondContact OD1-CD 3.32Å; D482-K501 WeakPolarHBondContact OD1-CE 3.2Å; D482-K501 IonicContact OD1-NZ 3.37Å; D482-K501 PolarHBondContact OD1-NZ 3.09Å; D482-K501 IonicContact OD2-NZ 3.98Å; D482-K501 PolarHBondContact OD2-NZ 3.24Å
502	Q	97.7	Very high	96.9	Very high	19 Å²	19	38 Å²	38	9%	0.089	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	146.4	177.5	-62	-172.7	-10.7	0	0	110.1	S396 P429 L480 V481 H500 Y504	S396-Q502 PolarHBondContact O-NE2 2.89Å; P429-Q502 HydrophobicContact CG-CG 4.26Å; L480-Q502 CarbonylContact O-C 3.38Å; L480-Q502 WeakPolarHBondContact O-CA 3.1Å; V481-Q502 HydrophobicContact CG1-CG 4.09Å; H500-Q502 PolarHBondContact O-N 2.83Å; Q502-Y504 HydrophobicContact CB-CE1 4.15Å; Q502-Y504 HydrophobicContact CB-CE2 3.97Å; Q502-Y504 VanDerWaalsContact OE1-CZ 3.24Å; Q502-Y504 PolarHBondContact OE1-OH 2.94Å
503	Y	97.9	Very high	97	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.02	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.7	168.7	165	-111	0	0	0	109.4	A282 P283 L479 L480 I509	A282-Y503 VanDerWaalsContact C-OH 3.24Å; A282-Y503 WeakPolarHBondContact CA-OH 3.14Å; A282-Y503 HydrophobicContact CB-CE2 3.98Å; A282-Y503 WeakPolarHBondContact CB-OH 3.06Å; P283-Y503 HydrophobicContact CG-CD1 4.31Å; P283-Y503 HydrophobicContact CG-CE1 3.79Å; P283-Y503 PolarHBondContact O-OH 3.44Å; L479-Y503 HydrophobicContact CB-CD1 3.93Å; L479-Y503 HydrophobicContact CB-CE1 4.13Å; L479-Y503 HydrophobicContact CD1-CD1 4.26Å; L479-Y503 HydrophobicContact CD1-CE1 3.64Å; L479-Y503 HydrophobicContact CG-CE1 4.42Å; L479-Y503 PolarHBondContact N-O 2.78Å; L480-Y503 HydrophobicContact CD1-CD1 4.28Å; L480-Y503 HydrophobicContact CG-CD1 4.46Å; L480-Y503 PolarHBondContact N-O 3.47Å; L480-Y503 PolarHBondContact O-N 3.2Å; Y503-I509 HydrophobicContact CD2-CD1 4.42Å; Y503-I509 HydrophobicContact CD2-CG1 4.48Å
504	Y	97.8	Very high	97.1	Very high	10 Å²	10	36.6 Å²	36.6	4%	0.039	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.8	-174.7	-54.5	-82	0	0	0	112.2	I397 Y431 Q474 V475 K477 P478 Q502 G506 S507	I397-Y504 HydrophobicContact CD1-CE1 3.97Å; Y431-Y504 WeakPolarHBondContact CE2-OH 3.46Å; Y431-Y504 WeakPolarHBondContact OH-CE2 3.31Å; Y431-Y504 VanDerWaalsContact OH-CZ 3.22Å; Y431-Y504 PolarHBondContact OH-OH 3.1Å; Q474-Y504 VanDerWaalsContact O-CB 3.3Å; Q474-Y504 WeakPolarHBondContact O-CB 3.13Å; V475-Y504 HydrophobicContact CB-CD1 4.29Å; V475-Y504 HydrophobicContact CB-CE1 3.99Å; V475-Y504 HydrophobicContact CG1-CD2 4.48Å; V475-Y504 HydrophobicContact CG1-CE2 4.17Å; V475-Y504 VanDerWaalsContact O-CD1 3.3Å; V475-Y504 WeakPolarHBondContact O-CD1 3.33Å; V475-Y504 VanDerWaalsContact O-CE1 3.22Å; V475-Y504 WeakPolarHBondContact O-CE1 3.48Å; K477-Y504 CarbonylContact O-C 3.56Å; K477-Y504 WeakPolarHBondContact O-CA 3.37Å; P478-Y504 HydrophobicContact CB-CD1 4.04Å; P478-Y504 HydrophobicContact CB-CE1 4.02Å; Q502-Y504 HydrophobicContact CB-CE1 4.15Å; Q502-Y504 HydrophobicContact CB-CE2 3.97Å; Q502-Y504 VanDerWaalsContact OE1-CZ 3.24Å; Q502-Y504 PolarHBondContact OE1-OH 2.94Å; Y504-G506 PolarHBondContact O-N 2.63Å; Y504-S507 PolarHBondContact N-OG 3.11Å; Y504-S507 WeakPolarHBondContact O-CB 3.47Å; Y504-S507 PolarHBondContact O-N 3.34Å; Y504-S507 PolarHBondContact O-OG 3.14Å
505	E	96.9	Very high	97.1	Very high	50 Å²	50	34.9 Å²	34.9	23%	0.234	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	128.9	174.9	-166.6	-168.7	-172.7	0	0	111.1	K173 K477 L479 S507	K173-E505 WeakPolarHBondContact CE-OE1 3.39Å; K173-E505 IonicContact NZ-OE1 2.86Å; K173-E505 PolarHBondContact NZ-OE1 2.99Å; K477-E505 HydrophobicContact CB-CB 3.9Å; K477-E505 HydrophobicContact CD-CB 4.32Å; K477-E505 WeakPolarHBondContact CD-OE2 3.32Å; K477-E505 IonicContact NZ-OE2 3.93Å; K477-E505 PolarHBondContact NZ-OE2 2.96Å; K477-E505 PolarHBondContact O-N 3.08Å; L479-E505 HydrophobicContact CD1-CB 3.87Å; L479-E505 HydrophobicContact CD1-CG 4.25Å; L479-E505 HydrophobicContact CD2-CB 4.32Å; L479-E505 HydrophobicContact CG-CB 4.13Å; E505-S507 VanDerWaalsContact C-N 3.25Å; E505-S507 PolarHBondContact O-N 2.93Å
506	G	94.4	Very high	96.9	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	0.6	178.4	0	0	0	0	0	115.4	K171 L172 K173 Y504	K171-G506 CarbonylContact C-O 3.47Å; L172-G506 PolarHBondContact N-O 2.88Å; L172-G506 VanDerWaalsContact N-O 3.12Å; K173-G506 VanDerWaalsContact CG-CA 3.49Å; K173-G506 PolarHBondContact N-O 3.1Å; Y504-G506 PolarHBondContact O-N 2.63Å
507	S	96.8	Very high	96.4	Very high	27 Å²	27	38.1 Å²	38.1	19%	0.189	18%	0.18	C	C	.	.			trans	-94.7	-173.1	165	75.8	0	0	0	0	111.2	R170 Y504 E505	R170-S507 PolarHBondContact NH1-O 3.06Å; Y504-S507 PolarHBondContact N-OG 3.11Å; Y504-S507 WeakPolarHBondContact O-CB 3.47Å; Y504-S507 PolarHBondContact O-N 3.34Å; Y504-S507 PolarHBondContact O-OG 3.14Å; E505-S507 VanDerWaalsContact C-N 3.25Å; E505-S507 PolarHBondContact O-N 2.93Å
508	E	97.8	Very high	96	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	20%	0.198	C	C	.	.			trans	-154.2	142.6	176.3	-179.8	172	-108.7	0	0	109.8	R65 R170 Y175 R264 A282 V510	R65-E508 IonicContact NH2-OE1 3.99Å; R170-E508 HydrophobicContact CB-CB 3.86Å; Y175-E508 PolarHBondContact OH-OE1 3.38Å; Y175-E508 PolarHBondContact OH-OE2 3.24Å; R264-E508 IonicContact CZ-OE1 3.96Å; R264-E508 IonicContact NH1-OE1 3.02Å; R264-E508 PolarHBondContact NH1-OE1 2.8Å; R264-E508 IonicContact NH2-OE1 2.8Å; R264-E508 PolarHBondContact NH2-OE1 2.97Å; A282-E508 HydrophobicContact CB-CB 4.12Å; A282-E508 HydrophobicContact CB-CG 4.01Å; E508-V510 HydrophobicContact CG-CG2 4Å
509	I	98.3	Very high	95.6	Very high	9 Å²	9	42 Å²	42	5%	0.046	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.5	166.9	-70.8	166.1	0	0	0	107.9	F281 V483 L485 H500 Y503 V511	F281-I509 HydrophobicContact CB-CB 4.3Å; F281-I509 HydrophobicContact CD1-CB 4.45Å; F281-I509 HydrophobicContact CD1-CD1 4.2Å; F281-I509 PolarHBondContact N-O 2.92Å; F281-I509 PolarHBondContact O-N 3.46Å; V483-I509 HydrophobicContact CB-CD1 4.08Å; V483-I509 HydrophobicContact CG1-CD1 3.96Å; V483-I509 HydrophobicContact CG2-CD1 4.16Å; L485-I509 HydrophobicContact CD1-CG2 3.9Å; L485-I509 HydrophobicContact CD2-CG2 4.48Å; H500-I509 HydrophobicContact CB-CD1 3.57Å; H500-I509 HydrophobicContact CB-CG1 4.14Å; H500-I509 VanDerWaalsContact CD2-CG2 3.43Å; H500-I509 WeakPolarHBondContact CD2-CG2 3.39Å; H500-I509 WeakPolarHBondContact NE2-CG2 3.47Å; Y503-I509 HydrophobicContact CD2-CD1 4.42Å; Y503-I509 HydrophobicContact CD2-CG1 4.48Å; I509-V511 HydrophobicContact CG2-CG2 4.18Å
510	V	98.4	Very high	95	Very high	36 Å²	36	37.2 Å²	37.2	22%	0.218	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	176.8	-173.3	0	0	0	0	108.5	H279 F280 E508 L569	H279-V510 WeakPolarHBondContact O-CA 3.39Å; F280-V510 HydrophobicContact CD1-CB 4.46Å; F280-V510 HydrophobicContact CD1-CG1 3.94Å; F280-V510 HydrophobicContact CD1-CG2 3.78Å; F280-V510 HydrophobicContact CE1-CG1 3.82Å; F280-V510 HydrophobicContact CE1-CG2 4.22Å; E508-V510 HydrophobicContact CG-CG2 4Å; V510-L569 HydrophobicContact CG1-CD1 3.85Å
511	V	98.6	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.9	174.9	-177.1	0	0	0	0	108.5	F277 A278 H279 L485 Y487 L495 T496 N498 I509	F277-V511 HydrophobicContact CE2-CG1 4.47Å; A278-V511 CarbonylContact C-O 2.98Å; H279-V511 PolarHBondContact N-O 2.93Å; H279-V511 PolarHBondContact O-N 2.94Å; L485-V511 HydrophobicContact CB-CG2 4.45Å; L485-V511 HydrophobicContact CD1-CG2 4.16Å; L485-V511 HydrophobicContact CD2-CG2 3.91Å; L485-V511 HydrophobicContact CG-CG2 4.41Å; Y487-V511 HydrophobicContact CE2-CG1 3.83Å; Y487-V511 WeakPolarHBondContact OH-CB 3.34Å; Y487-V511 WeakPolarHBondContact OH-CG1 3.41Å; L495-V511 HydrophobicContact CD1-CG1 3.61Å; L495-V511 HydrophobicContact CG-CG1 4.06Å; T496-V511 WeakPolarHBondContact OG1-CA 3.48Å; N498-V511 HydrophobicContact CB-CG1 4.29Å; I509-V511 HydrophobicContact CG2-CG2 4.18Å
512	A	98.5	Very high	93.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.2	176.1	0	0	0	0	0	110.6	F277 T496 L565 W566 L569	F277-A512 VanDerWaalsContact O-CA 3.23Å; F277-A512 WeakPolarHBondContact O-CA 3.26Å; F277-A512 WeakPolarHBondContact O-CB 3.09Å; T496-A512 HydrophobicContact CG2-CB 4.38Å; T496-A512 PolarHBondContact N-O 3.42Å; T496-A512 PolarHBondContact OG1-N 3.34Å; T496-A512 PolarHBondContact OG1-O 3.07Å; A512-L565 HydrophobicContact CB-CD2 3.71Å; A512-W566 HydrophobicContact CB-CB 4.01Å; A512-W566 HydrophobicContact CB-CG 4.49Å; A512-L569 HydrophobicContact CB-CD1 4.01Å
513	G	97.8	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	170.7	179.5	0	0	0	0	0	113.9	H276 F277 A494 W566	H276-G513 WeakPolarHBondContact CA-O 3.48Å; F277-G513 WeakPolarHBondContact CD1-O 3.24Å; F277-G513 VanDerWaalsContact CE1-CA 3.42Å; F277-G513 PolarHBondContact N-O 2.84Å; F277-G513 PolarHBondContact O-N 3.24Å; F277-G513 VanDerWaalsContact O-N 3.11Å; A494-G513 CarbonylContact O-C 3.56Å; A494-G513 WeakPolarHBondContact O-CA 3.25Å; G513-W566 VanDerWaalsContact CA-CD1 3.43Å
514	R	97.1	Very high	93.7	Very high	110 Å²	110	43.5 Å²	43.5	42%	0.415	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.1	172.6	-175	175.5	175.5	169.4	1.4	109.4	N275 L493 A494 W566	N275-R514 CarbonylContact O-C 3.52Å; N275-R514 WeakPolarHBondContact O-CA 3.35Å; L493-R514 HydrophobicContact CB-CG 4.49Å; L493-R514 HydrophobicContact CD1-CG 4.36Å; L493-R514 PolarHBondContact N-O 3.27Å; A494-R514 HydrophobicContact CB-CB 4.41Å; A494-R514 PolarHBondContact N-O 2.84Å; A494-R514 PolarHBondContact O-N 2.83Å; R514-W566 HydrophobicContact CB-CZ2 4.35Å
515	I	94.9	Very high	93.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.3	-178.5	-50.5	178.3	0	0	0	109.1	V272 N275 F277 A491 K519 Q520 F523	V272-I515 HydrophobicContact CG1-CD1 3.58Å; V272-I515 HydrophobicContact CG2-CD1 4.48Å; N275-I515 PolarHBondContact O-N 2.89Å; F277-I515 HydrophobicContact CB-CD1 4.24Å; F277-I515 HydrophobicContact CD1-CD1 4.09Å; F277-I515 HydrophobicContact CD1-CG1 3.72Å; F277-I515 HydrophobicContact CE1-CG1 4.4Å; A491-I515 CarbonylContact O-C 3.52Å; A491-I515 WeakPolarHBondContact O-CA 3.42Å; A491-I515 VanDerWaalsContact O-CG2 3.31Å; A491-I515 WeakPolarHBondContact O-CG2 3.17Å; I515-K519 HydrophobicContact CG2-CB 4.06Å; I515-Q520 HydrophobicContact CD1-CG 4.33Å; I515-F523 HydrophobicContact CD1-CB 4.24Å; I515-F523 HydrophobicContact CD1-CD1 3.94Å; I515-F523 HydrophobicContact CD1-CD2 3.9Å; I515-F523 HydrophobicContact CD1-CE1 4.26Å; I515-F523 HydrophobicContact CD1-CE2 4.23Å; I515-F523 HydrophobicContact CD1-CG 3.75Å; I515-F523 HydrophobicContact CD1-CZ 4.4Å; I515-F523 HydrophobicContact CG1-CD2 4.13Å; I515-F523 HydrophobicContact CG1-CE2 4.08Å; I515-F523 HydrophobicContact CG1-CG 4.47Å; I515-F523 HydrophobicContact CG1-CZ 4.36Å; I515-F523 HydrophobicContact CG2-CD2 4.05Å; I515-F523 HydrophobicContact CG2-CE2 4.47Å
516	A	92.9	Very high	93.7	Very high	17 Å²	17	42.2 Å²	42.2	14%	0.14	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-68.9	151.5	170.8	0	0	0	0	0	111.8	A491 L493 K519	A491-A516 PolarHBondContact O-N 2.84Å; L493-A516 HydrophobicContact CD1-CB 4.46Å; L493-A516 HydrophobicContact CD2-CB 4.05Å; L493-A516 HydrophobicContact CG-CB 4.01Å; A516-K519 HydrophobicContact CB-CB 4.48Å; A516-K519 HydrophobicContact CB-CG 4.19Å; A516-K519 WeakPolarHBondContact O-CB 3.42Å; A516-K519 PolarHBondContact O-N 3.47Å
517	D	86.7	Confident	93.9	Very high	109 Å²	109	42 Å²	42	58%	0.583	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	142	179.1	-62.9	-41.3	0	0	0	111.4	N275 K519	N275-D517 PolarHBondContact ND2-OD1 3.33Å; D517-K519 PolarHBondContact O-N 2.81Å; D517-K519 VanDerWaalsContact O-N 3.16Å
518	N	86.3	Confident	94	Very high	156 Å²	156	47.5 Å²	47.5	83%	0.834	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	11.2	-179	-46.4	-58.7	0	0	0	115.7
519	K	89.4	Confident	94	Very high	72 Å²	72	46.5 Å²	46.5	31%	0.313	24%	0.236	S	C	.	.			trans	-107.5	-0.3	176.6	-63.6	-70	-174	164.3	0	114.1	D490 A491 I515 A516 D517 F523	D490-K519 WeakPolarHBondContact OD2-CE 3.36Å; D490-K519 IonicContact OD2-NZ 2.71Å; D490-K519 PolarHBondContact OD2-NZ 3.44Å; A491-K519 HydrophobicContact CB-CB 3.77Å; A491-K519 HydrophobicContact CB-CG 4.3Å; I515-K519 HydrophobicContact CG2-CB 4.06Å; A516-K519 HydrophobicContact CB-CB 4.48Å; A516-K519 HydrophobicContact CB-CG 4.19Å; A516-K519 WeakPolarHBondContact O-CB 3.42Å; A516-K519 PolarHBondContact O-N 3.47Å; D517-K519 PolarHBondContact O-N 2.81Å; D517-K519 VanDerWaalsContact O-N 3.16Å; K519-F523 PolarHBondContact O-N 2.87Å
520	Q	83.8	Confident	93.9	Very high	59 Å²	59	50.1 Å²	50.1	28%	0.276	25%	0.253	S	S	.	.	S	Bend	trans	-66.1	-40.4	-176.3	-167.4	-179.2	-42.8	0	0	113.1	V272 I515 S522 F523	V272-Q520 HydrophobicContact CG1-CG 3.36Å; I515-Q520 HydrophobicContact CD1-CG 4.33Å; Q520-S522 PolarHBondContact O-N 3.06Å; Q520-F523 WeakPolarHBondContact O-CB 3.43Å; Q520-F523 PolarHBondContact O-N 3.19Å
521	S	81.8	Confident	93.7	Very high	70 Å²	70	48.9 Å²	48.9	49%	0.49	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.8	-175.7	47.7	0	0	0	0	113.6	E544	S521-E544 WeakPolarHBondContact CA-OE1 3.47Å; S521-E544 WeakPolarHBondContact CB-OE1 3.32Å
522	S	89	Confident	93.4	Very high	80 Å²	80	52 Å²	52	56%	0.559	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	14.2	178.6	64.1	0	0	0	0	113.2	Q520	Q520-S522 PolarHBondContact O-N 3.06Å
523	F	94.4	Very high	93	Very high	3 Å²	3	55 Å²	55	1%	0.013	29%	0.292	C	S	.	.			trans	-68.2	141.4	-176.3	-165	-105.2	0	0	0	110.8	L270 V272 F277 Y487 A491 V492 I515 K519 Q520 V542	L270-F523 HydrophobicContact CD1-CE1 4.27Å; L270-F523 HydrophobicContact CD2-CD1 4.32Å; V272-F523 HydrophobicContact CG2-CD1 4.09Å; F277-F523 HydrophobicContact CB-CE1 4.25Å; F277-F523 AromaticContact CD1-CE1 3.69Å; F277-F523 HydrophobicContact CD1-CE1 3.69Å; F277-F523 HydrophobicContact CD1-CE2 4.48Å; F277-F523 AromaticContact CD1-CZ 3.59Å; F277-F523 HydrophobicContact CD1-CZ 3.59Å; F277-F523 AromaticContact CD2-CE1 3.97Å; F277-F523 HydrophobicContact CD2-CE1 3.97Å; F277-F523 HydrophobicContact CD2-CZ 4.4Å; F277-F523 AromaticContact CE1-CE1 3.84Å; F277-F523 HydrophobicContact CE1-CE1 3.84Å; F277-F523 HydrophobicContact CE1-CE2 4.23Å; F277-F523 AromaticContact CE1-CZ 3.33Å; F277-F523 HydrophobicContact CE1-CZ 3.33Å; F277-F523 HydrophobicContact CE2-CE1 4.13Å; F277-F523 HydrophobicContact CE2-CZ 4.21Å; F277-F523 AromaticContact CG-CE1 3.71Å; F277-F523 HydrophobicContact CG-CE1 3.71Å; F277-F523 HydrophobicContact CG-CZ 4.09Å; F277-F523 HydrophobicContact CZ-CE1 4.01Å; F277-F523 AromaticContact CZ-CZ 3.62Å; F277-F523 HydrophobicContact CZ-CZ 3.62Å; Y487-F523 AromaticContact CD1-CE1 3.89Å; Y487-F523 HydrophobicContact CD1-CE1 3.89Å; Y487-F523 AromaticContact CD1-CZ 3.55Å; Y487-F523 HydrophobicContact CD1-CZ 3.55Å; Y487-F523 HydrophobicContact CE1-CE1 4.28Å; Y487-F523 HydrophobicContact CE1-CZ 4.29Å; Y487-F523 HydrophobicContact CG-CZ 4.3Å; A491-F523 HydrophobicContact CB-CD2 3.92Å; A491-F523 HydrophobicContact CB-CE2 4.11Å; V492-F523 HydrophobicContact CG2-CE2 3.85Å; V492-F523 HydrophobicContact CG2-CZ 4.19Å; I515-F523 HydrophobicContact CD1-CB 4.24Å; I515-F523 HydrophobicContact CD1-CD1 3.94Å; I515-F523 HydrophobicContact CD1-CD2 3.9Å; I515-F523 HydrophobicContact CD1-CE1 4.26Å; I515-F523 HydrophobicContact CD1-CE2 4.23Å; I515-F523 HydrophobicContact CD1-CG 3.75Å; I515-F523 HydrophobicContact CD1-CZ 4.4Å; I515-F523 HydrophobicContact CG1-CD2 4.13Å; I515-F523 HydrophobicContact CG1-CE2 4.08Å; I515-F523 HydrophobicContact CG1-CG 4.47Å; I515-F523 HydrophobicContact CG1-CZ 4.36Å; I515-F523 HydrophobicContact CG2-CD2 4.05Å; I515-F523 HydrophobicContact CG2-CE2 4.47Å; K519-F523 PolarHBondContact O-N 2.87Å; Q520-F523 WeakPolarHBondContact O-CB 3.43Å; Q520-F523 PolarHBondContact O-N 3.19Å; F523-V542 HydrophobicContact CB-CG2 3.98Å; F523-V542 HydrophobicContact CD1-CG2 4.25Å; F523-V542 VanDerWaalsContact O-CG2 3.32Å; F523-V542 WeakPolarHBondContact O-CG2 3.08Å; F523-V542 PolarHBondContact O-N 3.41Å
524	K	95.8	Very high	92.8	Very high	76 Å²	76	61.5 Å²	61.5	33%	0.33	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	164.5	-178.7	64.8	167.7	-172.4	142	0	111.3	P488 D526 C540 L541	P488-K524 VanDerWaalsContact CD-O 3.23Å; P488-K524 WeakPolarHBondContact CD-O 3.37Å; P488-K524 HydrophobicContact CG-CG 3.8Å; K524-D526 IonicContact NZ-OD2 2.81Å; K524-D526 PolarHBondContact NZ-OD2 2.9Å; K524-C540 CarbonylContact C-O 3.46Å; K524-C540 VanDerWaalsContact CA-O 3.31Å; K524-C540 WeakPolarHBondContact CA-O 3.2Å; K524-L541 HydrophobicContact CB-CD2 3.73Å; K524-L541 HydrophobicContact CD-CD2 4.32Å
525	A	97.9	Very high	92.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.3	171.3	0	0	0	0	0	110.3	L270 Q486 Y487 T539 C540	L270-A525 HydrophobicContact CD2-CB 4.36Å; Q486-A525 CarbonylContact O-C 3.56Å; Q486-A525 WeakPolarHBondContact O-CA 3.49Å; Y487-A525 HydrophobicContact CD1-CB 3.8Å; Y487-A525 HydrophobicContact CE1-CB 3.49Å; Y487-A525 VanDerWaalsContact CE1-CB 3.49Å; A525-T539 CarbonylContact O-C 3.57Å; A525-T539 WeakPolarHBondContact O-CA 3.26Å; A525-C540 HydrophobicContact CB-CB 4.43Å; A525-C540 PolarHBondContact N-O 2.78Å; A525-C540 PolarHBondContact O-N 3.38Å
526	D	97.9	Very high	92.8	Very high	32 Å²	32	66.1 Å²	66.1	17%	0.171	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.3	172.9	-69.2	-52.6	0	0	0	107.7	Q486 K524 T539	Q486-D526 WeakPolarHBondContact CA-O 3.33Å; Q486-D526 HydrophobicContact CB-CB 4.3Å; Q486-D526 WeakPolarHBondContact CB-O 3.29Å; Q486-D526 PolarHBondContact N-O 2.82Å; Q486-D526 PolarHBondContact O-N 2.79Å; K524-D526 IonicContact NZ-OD2 2.81Å; K524-D526 PolarHBondContact NZ-OD2 2.9Å; D526-T539 WeakPolarHBondContact OD1-CB 3.18Å; D526-T539 WeakPolarHBondContact OD1-CG2 3.3Å; D526-T539 PolarHBondContact OD1-OG1 3.24Å
527	V	98.1	Very high	92.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.3	179.6	-174.5	0	0	0	0	109.3	F281 V483 D484 L485 F536 S537 T538	F281-V527 HydrophobicContact CD2-CG1 4.12Å; F281-V527 HydrophobicContact CD2-CG2 4.29Å; F281-V527 HydrophobicContact CE1-CG1 4.26Å; F281-V527 HydrophobicContact CE2-CB 4.32Å; F281-V527 HydrophobicContact CE2-CG1 3.72Å; F281-V527 HydrophobicContact CE2-CG2 4.46Å; F281-V527 HydrophobicContact CZ-CG1 3.79Å; V483-V527 HydrophobicContact CG1-CG1 4.05Å; D484-V527 WeakPolarHBondContact O-CA 3.16Å; L485-V527 HydrophobicContact CD2-CG2 4.13Å; L485-V527 HydrophobicContact CG-CG1 4.27Å; L485-V527 HydrophobicContact CG-CG2 4.1Å; V527-F536 HydrophobicContact CG1-CE1 4.32Å; V527-S537 VanDerWaalsContact O-CA 3.28Å; V527-S537 WeakPolarHBondContact O-CA 3.46Å; V527-T538 HydrophobicContact CB-CG2 3.91Å; V527-T538 HydrophobicContact CG2-CG2 4.33Å; V527-T538 PolarHBondContact N-O 3.31Å; V527-T538 PolarHBondContact O-N 3.3Å
528	R	98.1	Very high	93.4	Very high	143 Å²	143	65.6 Å²	65.6	54%	0.54	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.6	174.7	-60.8	-175.1	-174.1	-170.9	0.8	110	V483 D484 F536	V483-R528 CarbonylContact C-O 3.56Å; V483-R528 WeakPolarHBondContact CA-O 3.49Å; D484-R528 PolarHBondContact N-O 3.38Å; D484-R528 PolarHBondContact O-N 2.94Å; R528-F536 CarbonylContact C-O 3.54Å; R528-F536 WeakPolarHBondContact CA-O 3.2Å
529	A	97.8	Very high	93.9	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	177.6	175.5	0	0	0	0	0	110.1	L480 V483 F536	L480-A529 HydrophobicContact CB-CB 4.07Å; L480-A529 HydrophobicContact CD1-CB 4.1Å; L480-A529 HydrophobicContact CD2-CB 4.25Å; L480-A529 HydrophobicContact CG-CB 4.38Å; V483-A529 HydrophobicContact CB-CB 4.27Å; V483-A529 HydrophobicContact CG1-CB 4.42Å; V483-A529 HydrophobicContact CG2-CB 3.88Å; A529-F536 HydrophobicContact CB-CB 4.18Å; A529-F536 HydrophobicContact CB-CD1 4.18Å; A529-F536 PolarHBondContact N-O 3.01Å; A529-F536 PolarHBondContact O-N 3.36Å
530	H	96.6	Very high	94.2	Very high	85 Å²	85	58.3 Å²	58.3	39%	0.394	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.7	173	-55.6	83.1	0	0	0	110.3	L480 V481 Q534	L480-H530 CarbonylContact C-O 3.48Å; L480-H530 WeakPolarHBondContact CA-O 3.49Å; V481-H530 HydrophobicContact CG2-CB 3.91Å; V481-H530 PolarHBondContact N-O 3.16Å; V481-H530 PolarHBondContact O-N 3.42Å; H530-Q534 CarbonylContact C-O 3.6Å; H530-Q534 WeakPolarHBondContact CA-O 3.38Å
531	G	94.8	Very high	94.7	Very high	11 Å²	11	61.5 Å²	61.5	11%	0.113	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-168.5	160.1	0	0	0	0	0	110.6	G533 Q534	G531-G533 PolarHBondContact O-N 3.19Å; G531-Q534 PolarHBondContact N-O 2.93Å
532	E	92.1	Very high	95.2	Very high	66 Å²	66	59.2 Å²	59.2	31%	0.308	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	99.3	177.2	-171.6	173.4	170.6	0	0	110.5	M289 N290 N393 H394 Q534	M289-E532 HydrophobicContact CB-CB 4.46Å; M289-E532 HydrophobicContact CE-CB 4.17Å; M289-E532 HydrophobicContact CG-CB 4.18Å; N290-E532 PolarHBondContact N-OE2 2.83Å; N290-E532 PolarHBondContact ND2-OE1 2.99Å; N290-E532 PolarHBondContact ND2-OE2 2.9Å; N393-E532 HydrophobicContact CB-CG 4.26Å; H394-E532 IonicContact CD2-OE1 2.98Å; H394-E532 IonicContact NE2-OE1 2.6Å; E532-Q534 PolarHBondContact O-N 2.81Å
533	G	89.4	Confident	95.2	Very high	61 Å²	61	59.8 Å²	59.8	63%	0.629	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	18.7	-176.6	0	0	0	0	0	114.6	G531	G531-G533 PolarHBondContact O-N 3.19Å
534	Q	93.7	Very high	94.9	Very high	137 Å²	137	63.8 Å²	63.8	64%	0.64	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	141.4	-177.1	-64.5	-178.6	-11	0	0	110.9	H530 G531 E532	H530-Q534 CarbonylContact C-O 3.6Å; H530-Q534 WeakPolarHBondContact CA-O 3.38Å; G531-Q534 PolarHBondContact N-O 2.93Å; E532-Q534 PolarHBondContact O-N 2.81Å
535	E	95.8	Very high	94.6	Very high	174 Å²	174	67.6 Å²	67.6	81%	0.813	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.3	168	-68.2	-174	177.7	0	0	110.3
536	F	96.6	Very high	94.3	Very high	34 Å²	34	69.6 Å²	69.6	15%	0.149	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.7	173.1	177.4	-85.4	0	0	0	109.1	I267 F281 L480 V527 R528 A529 T538	I267-F536 HydrophobicContact CG2-CZ 4.48Å; F281-F536 AromaticContact CE2-CE1 3.7Å; F281-F536 HydrophobicContact CE2-CE1 3.7Å; F281-F536 AromaticContact CE2-CZ 3.92Å; F281-F536 HydrophobicContact CE2-CZ 3.92Å; F281-F536 HydrophobicContact CZ-CD1 4.31Å; F281-F536 AromaticContact CZ-CE1 3.51Å; F281-F536 HydrophobicContact CZ-CE1 3.51Å; F281-F536 AromaticContact CZ-CZ 3.88Å; F281-F536 HydrophobicContact CZ-CZ 3.88Å; L480-F536 HydrophobicContact CD1-CD1 4.23Å; L480-F536 HydrophobicContact CD1-CD2 4.43Å; L480-F536 HydrophobicContact CD1-CE1 4.49Å; L480-F536 HydrophobicContact CD1-CG 4.21Å; L480-F536 HydrophobicContact CD2-CB 3.86Å; L480-F536 HydrophobicContact CD2-CD2 4.32Å; L480-F536 HydrophobicContact CD2-CG 4.09Å; V527-F536 HydrophobicContact CG1-CE1 4.32Å; R528-F536 CarbonylContact C-O 3.54Å; R528-F536 WeakPolarHBondContact CA-O 3.2Å; A529-F536 HydrophobicContact CB-CB 4.18Å; A529-F536 HydrophobicContact CB-CD1 4.18Å; A529-F536 PolarHBondContact N-O 3.01Å; A529-F536 PolarHBondContact O-N 3.36Å; F536-T538 HydrophobicContact CE1-CG2 3.83Å; F536-T538 HydrophobicContact CZ-CG2 4.02Å
537	S	96.2	Very high	93.9	Very high	85 Å²	85	69.4 Å²	69.4	59%	0.594	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.1	172.5	-168.9	0	0	0	0	111.7	V527	V527-S537 VanDerWaalsContact O-CA 3.28Å; V527-S537 WeakPolarHBondContact O-CA 3.46Å
538	T	96.3	Very high	93.2	Very high	30 Å²	30	75.2 Å²	75.2	18%	0.184	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.3	172.3	-172.8	0	0	0	0	110.7	I267 V527 F536	I267-T538 HydrophobicContact CG2-CG2 4.22Å; V527-T538 HydrophobicContact CB-CG2 3.91Å; V527-T538 HydrophobicContact CG2-CG2 4.33Å; V527-T538 PolarHBondContact N-O 3.31Å; V527-T538 PolarHBondContact O-N 3.3Å; F536-T538 HydrophobicContact CE1-CG2 3.83Å; F536-T538 HydrophobicContact CZ-CG2 4.02Å
539	T	96.9	Very high	92.8	Very high	73 Å²	73	72.4 Å²	72.4	45%	0.448	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.4	176.3	-61.4	0	0	0	0	109.3	A525 D526 L541	A525-T539 CarbonylContact O-C 3.57Å; A525-T539 WeakPolarHBondContact O-CA 3.26Å; D526-T539 WeakPolarHBondContact OD1-CB 3.18Å; D526-T539 WeakPolarHBondContact OD1-CG2 3.3Å; D526-T539 PolarHBondContact OD1-OG1 3.24Å; T539-L541 HydrophobicContact CG2-CD2 4.01Å; T539-L541 HydrophobicContact CG2-CG 4.43Å
540	C	95.8	Very high	92.2	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.014	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.7	177.5	-56.6	0	0	0	0	109.5	C268 L270 K524 A525	C268-C540 VanDerWaalsContact CA-SG 3.52Å; C268-C540 HydrophobicContact CB-CB 3.6Å; C268-C540 WeakPolarHBondContact CB-SG 3.32Å; C268-C540 WeakPolarHBondContact SG-CA 3.39Å; C268-C540 WeakPolarHBondContact SG-CB 3.45Å; C268-C540 CovalentContact SG-SG 2.04Å; C268-C540 PolarHBondContact SG-SG 2.9Å; L270-C540 HydrophobicContact CB-CB 4.32Å; L270-C540 HydrophobicContact CD2-CB 4.31Å; K524-C540 CarbonylContact C-O 3.46Å; K524-C540 VanDerWaalsContact CA-O 3.31Å; K524-C540 WeakPolarHBondContact CA-O 3.2Å; A525-C540 HydrophobicContact CB-CB 4.43Å; A525-C540 PolarHBondContact N-O 2.78Å; A525-C540 PolarHBondContact O-N 3.38Å
541	L	94.1	Very high	91.2	Very high	126 Å²	126	70.6 Å²	70.6	66%	0.66	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.6	174.8	-57.6	179.2	0	0	0	109.6	K524 T539	K524-L541 HydrophobicContact CB-CD2 3.73Å; K524-L541 HydrophobicContact CD-CD2 4.32Å; T539-L541 HydrophobicContact CG2-CD2 4.01Å; T539-L541 HydrophobicContact CG2-CG 4.43Å
542	V	91.8	Very high	90.5	Very high	23 Å²	23	78.5 Å²	78.5	14%	0.139	40%	0.398	C	S	.	.			trans	-71.6	129.6	171.7	174.5	0	0	0	0	109.8	L270 V272 F523 M547	L270-V542 HydrophobicContact CD2-CG2 3.85Å; L270-V542 HydrophobicContact CG-CG2 4.32Å; V272-V542 HydrophobicContact CB-CG1 4.32Å; V272-V542 HydrophobicContact CB-CG2 4.21Å; V272-V542 HydrophobicContact CG2-CG1 4.37Å; V272-V542 HydrophobicContact CG2-CG2 3.41Å; V272-V542 VanDerWaalsContact CG2-CG2 3.41Å; F523-V542 HydrophobicContact CB-CG2 3.98Å; F523-V542 HydrophobicContact CD1-CG2 4.25Å; F523-V542 VanDerWaalsContact O-CG2 3.32Å; F523-V542 WeakPolarHBondContact O-CG2 3.08Å; F523-V542 PolarHBondContact O-N 3.41Å; V542-M547 HydrophobicContact CG1-CG 4.01Å
543	D	89.8	Confident	89.9	Confident	91 Å²	91	78.7 Å²	78.7	49%	0.487	40%	0.399	S	S	.	.			trans	-93.8	95.9	170	-175.6	-23.7	0	0	0	109	E545 E546 M547	D543-E545 VanDerWaalsContact C-N 3.28Å; D543-E545 PolarHBondContact O-N 2.6Å; D543-E545 PolarHBondContact OD1-N 2.78Å; D543-E546 HydrophobicContact CB-CB 3.9Å; D543-E546 VanDerWaalsContact CG-CB 3.43Å; D543-E546 PolarHBondContact O-N 2.96Å; D543-E546 PolarHBondContact OD1-N 2.81Å; D543-M547 VanDerWaalsContact O-CG 3.31Å; D543-M547 WeakPolarHBondContact O-CG 3.46Å; D543-M547 PolarHBondContact O-N 3.35Å
544	E	88.1	Confident	89.5	Confident	87 Å²	87	77.4 Å²	77.4	41%	0.407	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-35.4	-177.1	-68.9	-165	169	0	0	113.5	S521 M547 K548	S521-E544 WeakPolarHBondContact CA-OE1 3.47Å; S521-E544 WeakPolarHBondContact CB-OE1 3.32Å; E544-M547 PolarHBondContact O-N 2.86Å; E544-K548 WeakPolarHBondContact O-CG 3.42Å; E544-K548 PolarHBondContact O-N 2.74Å
545	E	90.1	Very high	88.8	Confident	156 Å²	156	72.3 Å²	72.3	73%	0.729	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-43.1	-178.7	-169.1	177.9	175.9	0	0	109.9	D543 K548 K549	D543-E545 VanDerWaalsContact C-N 3.28Å; D543-E545 PolarHBondContact O-N 2.6Å; D543-E545 PolarHBondContact OD1-N 2.78Å; E545-K548 PolarHBondContact O-N 3.07Å; E545-K549 WeakPolarHBondContact O-CB 3.26Å; E545-K549 PolarHBondContact O-N 3.27Å
546	E	90.6	Very high	87.8	Confident	42 Å²	42	70.6 Å²	70.6	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-39.8	172.9	-172.9	61.9	-165.4	0	0	111.3	K228 D543 K548 K549 L550	K228-E546 WeakPolarHBondContact CE-OE1 3.5Å; K228-E546 IonicContact NZ-OE1 2.72Å; K228-E546 PolarHBondContact NZ-OE1 2.79Å; D543-E546 HydrophobicContact CB-CB 3.9Å; D543-E546 VanDerWaalsContact CG-CB 3.43Å; D543-E546 PolarHBondContact O-N 2.96Å; D543-E546 PolarHBondContact OD1-N 2.81Å; E546-K548 PolarHBondContact O-N 3.09Å; E546-K549 WeakPolarHBondContact O-CB 3.28Å; E546-K549 PolarHBondContact O-N 3.41Å; E546-K549 WeakPolarHBondContact OE2-CD 3.37Å; E546-K549 IonicContact OE2-NZ 3.81Å; E546-L550 HydrophobicContact CG-CD1 4.19Å; E546-L550 HydrophobicContact CG-CG 4.34Å; E546-L550 WeakPolarHBondContact O-CB 3.42Å; E546-L550 VanDerWaalsContact O-CG 3.23Å; E546-L550 WeakPolarHBondContact O-CG 3.27Å; E546-L550 PolarHBondContact O-N 3.08Å
547	M	89.3	Confident	86.6	Confident	29 Å²	29	71.8 Å²	71.8	14%	0.143	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-45.6	175.8	-68.6	-50.8	100.4	0	0	112	L271 V272 V542 D543 E544 K549 L550 L551	L271-M547 HydrophobicContact CD1-CE 4.23Å; L271-M547 HydrophobicContact CD1-SD 3.74Å; V272-M547 PolarHBondContact N-SD 2.91Å; V272-M547 VanDerWaalsContact N-SD 3.41Å; V542-M547 HydrophobicContact CG1-CG 4.01Å; D543-M547 VanDerWaalsContact O-CG 3.31Å; D543-M547 WeakPolarHBondContact O-CG 3.46Å; D543-M547 PolarHBondContact O-N 3.35Å; E544-M547 PolarHBondContact O-N 2.86Å; M547-K549 VanDerWaalsContact C-N 3.29Å; M547-K549 PolarHBondContact O-N 3.15Å; M547-L550 HydrophobicContact CE-CD1 3.52Å; M547-L550 PolarHBondContact O-N 2.94Å; M547-L550 HydrophobicContact SD-CD1 4.21Å; M547-L551 PolarHBondContact O-N 3.43Å
548	K	83.6	Confident	85.7	Confident	122 Å²	122	68 Å²	68	53%	0.53	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-38.1	175.4	-71.6	172.2	-174.4	169.6	0	111.5	E544 E545 E546 L551 R552	E544-K548 WeakPolarHBondContact O-CG 3.42Å; E544-K548 PolarHBondContact O-N 2.74Å; E545-K548 PolarHBondContact O-N 3.07Å; E546-K548 PolarHBondContact O-N 3.09Å; K548-L551 PolarHBondContact O-N 3.18Å; K548-R552 WeakPolarHBondContact O-CG 3.31Å; K548-R552 PolarHBondContact O-N 2.99Å; K548-R552 VanDerWaalsContact O-N 3.1Å
549	K	88.9	Confident	84.9	Confident	84 Å²	84	68.6 Å²	68.6	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-45.8	176.3	-177.2	-175.5	171	-168.4	0	112.1	E545 E546 M547 L551 R552 E553	E545-K549 WeakPolarHBondContact O-CB 3.26Å; E545-K549 PolarHBondContact O-N 3.27Å; E546-K549 WeakPolarHBondContact O-CB 3.28Å; E546-K549 PolarHBondContact O-N 3.41Å; E546-K549 WeakPolarHBondContact OE2-CD 3.37Å; E546-K549 IonicContact OE2-NZ 3.81Å; M547-K549 VanDerWaalsContact C-N 3.29Å; M547-K549 PolarHBondContact O-N 3.15Å; K549-L551 VanDerWaalsContact C-N 3.26Å; K549-L551 PolarHBondContact O-N 2.88Å; K549-R552 PolarHBondContact O-N 3.37Å; K549-R552 VanDerWaalsContact O-N 3.12Å; K549-E553 WeakPolarHBondContact CE-OE1 3.21Å; K549-E553 WeakPolarHBondContact O-CG 2.98Å; K549-E553 PolarHBondContact O-N 3.08Å
550	L	85.9	Confident	84.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-40.3	175.8	-69.3	169.2	0	0	0	111.2	F197 P199 K228 L271 E546 M547 E553 R554 L558	F197-L550 HydrophobicContact CE1-CD2 3.86Å; F197-L550 HydrophobicContact CZ-CD2 3.71Å; P199-L550 HydrophobicContact CB-CD1 3.84Å; P199-L550 HydrophobicContact CB-CD2 3.81Å; P199-L550 HydrophobicContact CG-CD1 4.12Å; P199-L550 HydrophobicContact CG-CD2 4.12Å; K228-L550 HydrophobicContact CD-CD2 3.84Å; L271-L550 HydrophobicContact CD1-CD1 3.92Å; E546-L550 HydrophobicContact CG-CD1 4.19Å; E546-L550 HydrophobicContact CG-CG 4.34Å; E546-L550 WeakPolarHBondContact O-CB 3.42Å; E546-L550 VanDerWaalsContact O-CG 3.23Å; E546-L550 WeakPolarHBondContact O-CG 3.27Å; E546-L550 PolarHBondContact O-N 3.08Å; M547-L550 HydrophobicContact CE-CD1 3.52Å; M547-L550 PolarHBondContact O-N 2.94Å; M547-L550 HydrophobicContact SD-CD1 4.21Å; L550-E553 PolarHBondContact O-N 2.72Å; L550-R554 PolarHBondContact O-N 2.95Å; L550-L558 HydrophobicContact CB-CD2 3.71Å
551	L	76	Confident	83.9	Confident	49 Å²	49	68.9 Å²	68.9	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-40.9	174.8	-174.6	62.9	0	0	0	112	M547 K548 K549 G555 E559	M547-L551 PolarHBondContact O-N 3.43Å; K548-L551 PolarHBondContact O-N 3.18Å; K549-L551 VanDerWaalsContact C-N 3.26Å; K549-L551 PolarHBondContact O-N 2.88Å; L551-G555 WeakPolarHBondContact O-CA 3.35Å; L551-G555 PolarHBondContact O-N 2.86Å; L551-E559 HydrophobicContact CD1-CG 3.77Å
552	R	79.4	Confident	83.8	Confident	177 Å²	177	63 Å²	63	67%	0.668	30%	0.299	S	S	*	.	H	α-helix	trans	-66.3	-36.6	173.6	-70.1	-173	-61.9	-92.8	2.7	112.9	K548 K549	K548-R552 WeakPolarHBondContact O-CG 3.31Å; K548-R552 PolarHBondContact O-N 2.99Å; K548-R552 VanDerWaalsContact O-N 3.1Å; K549-R552 PolarHBondContact O-N 3.37Å; K549-R552 VanDerWaalsContact O-N 3.12Å
553	E	80.1	Confident	83.9	Confident	69 Å²	69	64.2 Å²	64.2	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-75.1	-34.9	-176.6	-74	173.7	173.8	0	0	113.6	F197 K228 K549 L550	F197-E553 HydrophobicContact CE2-CB 3.92Å; F197-E553 HydrophobicContact CZ-CB 3.96Å; K228-E553 VanDerWaalsContact CD-OE2 3.25Å; K228-E553 WeakPolarHBondContact CD-OE2 3.4Å; K228-E553 IonicContact NZ-OE1 3.62Å; K228-E553 IonicContact NZ-OE2 3.47Å; K228-E553 PolarHBondContact NZ-OE2 3.36Å; K549-E553 WeakPolarHBondContact CE-OE1 3.21Å; K549-E553 WeakPolarHBondContact O-CG 2.98Å; K549-E553 PolarHBondContact O-N 3.08Å; L550-E553 PolarHBondContact O-N 2.72Å
554	R	80.4	Confident	84.1	Confident	35 Å²	35	61.3 Å²	61.3	13%	0.132	29%	0.286	C	S	.	.	H	α-helix	trans	-110.6	-16.7	-176.3	-169.3	54.6	162.7	176.3	-6	114	V62 T63 D195 F197 L550 M557 L558	V62-R554 PolarHBondContact O-NH2 2.98Å; T63-R554 HydrophobicContact CG2-CG 3.97Å; T63-R554 PolarHBondContact OG1-NE 3.22Å; T63-R554 PolarHBondContact OG1-NH2 3.34Å; T63-R554 VanDerWaalsContact OG1-NH2 3.13Å; D195-R554 PolarHBondContact O-NH2 2.8Å; D195-R554 IonicContact OD1-NH1 2.62Å; D195-R554 PolarHBondContact OD1-NH1 3.16Å; D195-R554 IonicContact OD2-CZ 3.54Å; D195-R554 IonicContact OD2-NH1 3.53Å; D195-R554 PolarHBondContact OD2-NH1 2.83Å; D195-R554 IonicContact OD2-NH2 3.81Å; F197-R554 HydrophobicContact CB-CG 4.48Å; F197-R554 HydrophobicContact CD1-CB 3.97Å; F197-R554 HydrophobicContact CD1-CG 3.89Å; F197-R554 HydrophobicContact CD2-CB 4.43Å; F197-R554 HydrophobicContact CE1-CB 3.82Å; F197-R554 HydrophobicContact CE1-CG 4.25Å; F197-R554 HydrophobicContact CE2-CB 4.32Å; F197-R554 HydrophobicContact CG-CB 4.26Å; F197-R554 HydrophobicContact CG-CG 4.09Å; F197-R554 HydrophobicContact CZ-CB 4Å; L550-R554 PolarHBondContact O-N 2.95Å; R554-M557 HydrophobicContact CG-CE 4.4Å; R554-L558 HydrophobicContact CB-CB 4.2Å; R554-L558 HydrophobicContact CG-CB 4.2Å
555	G	79.2	Confident	84.6	Confident	30 Å²	30	57.2 Å²	57.2	31%	0.309	27%	0.267	S	S	.	.			trans	75.9	-173.2	-176	0	0	0	0	0	113.3	L551 M557 L558	L551-G555 WeakPolarHBondContact O-CA 3.35Å; L551-G555 PolarHBondContact O-N 2.86Å; G555-M557 PolarHBondContact O-N 2.83Å; G555-L558 WeakPolarHBondContact O-CB 2.96Å; G555-L558 PolarHBondContact O-N 2.79Å
556	H	75.6	Confident	85	Confident	137 Å²	137	50.7 Å²	50.7	63%	0.634	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.4	177.6	-67.6	-63.8	0	0	0	114.4	L558 E559 N560	H556-L558 PolarHBondContact O-N 2.75Å; H556-E559 IonicContact CE1-OE2 3.48Å; H556-E559 IonicContact CG-OE2 3.51Å; H556-E559 IonicContact ND1-OE2 2.82Å; H556-E559 PolarHBondContact ND1-OE2 3.47Å; H556-E559 PolarHBondContact O-N 2.92Å; H556-N560 PolarHBondContact O-N 2.83Å; H556-N560 VanDerWaalsContact O-N 3.16Å
557	M	70.5	Confident	85.4	Confident	60 Å²	60	48.7 Å²	48.7	30%	0.296	23%	0.226	S	C	.	.	H	α-helix	trans	-60.6	-29.8	170.4	-168.6	170.2	71.7	0	0	112.2	K61 R554 G555 H561	K61-M557 HydrophobicContact CB-CE 4.37Å; K61-M557 HydrophobicContact CB-SD 4.48Å; R554-M557 HydrophobicContact CG-CE 4.4Å; G555-M557 PolarHBondContact O-N 2.83Å; M557-H561 WeakPolarHBondContact CG-CE1 3.42Å; M557-H561 WeakPolarHBondContact CG-NE2 3.41Å; M557-H561 VanDerWaalsContact O-CB 3.27Å; M557-H561 WeakPolarHBondContact O-CB 3.46Å; M557-H561 PolarHBondContact O-N 2.82Å; M557-H561 VanDerWaalsContact SD-CE1 3.55Å
558	L	77.6	Confident	85.8	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-50.1	173.5	179.9	65	0	0	0	111.4	T63 L271 L550 R554 G555 H556 H561 V562	T63-L558 HydrophobicContact CG2-CD1 3.67Å; L271-L558 HydrophobicContact CD1-CD1 4.44Å; L271-L558 HydrophobicContact CD2-CD1 4.2Å; L550-L558 HydrophobicContact CB-CD2 3.71Å; R554-L558 HydrophobicContact CB-CB 4.2Å; R554-L558 HydrophobicContact CG-CB 4.2Å; G555-L558 WeakPolarHBondContact O-CB 2.96Å; G555-L558 PolarHBondContact O-N 2.79Å; H556-L558 PolarHBondContact O-N 2.75Å; L558-H561 PolarHBondContact O-N 2.83Å; L558-V562 HydrophobicContact CD1-CG2 4.34Å; L558-V562 VanDerWaalsContact O-CG2 3.3Å; L558-V562 WeakPolarHBondContact O-CG2 3.39Å; L558-V562 PolarHBondContact O-N 2.8Å
559	E	79.6	Confident	86.5	Confident	44 Å²	44	43.8 Å²	43.8	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-49.2	-179.5	-67	169.5	152.6	0	0	110.8	A273 N274 L551 H556 H561 V562 E563	A273-E559 HydrophobicContact CB-CG 4.08Å; N274-E559 HydrophobicContact CB-CB 4.05Å; N274-E559 HydrophobicContact CB-CG 4.02Å; L551-E559 HydrophobicContact CD1-CG 3.77Å; H556-E559 IonicContact CE1-OE2 3.48Å; H556-E559 IonicContact CG-OE2 3.51Å; H556-E559 IonicContact ND1-OE2 2.82Å; H556-E559 PolarHBondContact ND1-OE2 3.47Å; H556-E559 PolarHBondContact O-N 2.92Å; E559-H561 PolarHBondContact O-N 2.64Å; E559-V562 PolarHBondContact O-N 2.91Å; E559-E563 PolarHBondContact O-N 2.94Å; E559-E563 VanDerWaalsContact O-N 3.11Å
560	N	80.8	Confident	86.9	Confident	76 Å²	76	40.8 Å²	40.8	41%	0.406	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-45	177.7	-178.3	49.2	0	0	0	111.9	H556 E563 R564	H556-N560 PolarHBondContact O-N 2.83Å; H556-N560 VanDerWaalsContact O-N 3.16Å; N560-E563 PolarHBondContact O-N 3.31Å; N560-R564 WeakPolarHBondContact O-CB 3.35Å; N560-R564 VanDerWaalsContact O-CG 3.24Å; N560-R564 WeakPolarHBondContact O-CG 3.35Å; N560-R564 PolarHBondContact O-N 2.92Å
561	H	90.1	Very high	87.5	Confident	5 Å²	5	40.8 Å²	40.8	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-69.8	-33.2	-178.4	-72	-177.4	0	0	0	113.2	T63 F66 M557 L558 E559 L565	T63-H561 WeakPolarHBondContact CB-ND1 3.39Å; T63-H561 HydrophobicContact CG2-CB 4.43Å; T63-H561 PolarHBondContact OG1-ND1 3.46Å; F66-H561 HydrophobicContact CB-CB 4.36Å; F66-H561 HydrophobicContact CD1-CB 3.72Å; F66-H561 AromaticContact CD1-CD2 3.78Å; F66-H561 AromaticContact CD1-CG 3.55Å; F66-H561 AromaticContact CD1-ND1 3.93Å; F66-H561 HydrophobicContact CE1-CB 4.36Å; F66-H561 AromaticContact CE1-CD2 3.73Å; F66-H561 HydrophobicContact CG-CB 4.25Å; M557-H561 WeakPolarHBondContact CG-CE1 3.42Å; M557-H561 WeakPolarHBondContact CG-NE2 3.41Å; M557-H561 VanDerWaalsContact O-CB 3.27Å; M557-H561 WeakPolarHBondContact O-CB 3.46Å; M557-H561 PolarHBondContact O-N 2.82Å; M557-H561 VanDerWaalsContact SD-CE1 3.55Å; L558-H561 PolarHBondContact O-N 2.83Å; E559-H561 PolarHBondContact O-N 2.64Å; H561-L565 WeakPolarHBondContact O-CB 3.44Å; H561-L565 PolarHBondContact O-N 3.21Å
562	V	92.9	Very high	88.3	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-43.2	174.6	172.8	0	0	0	0	110.9	L271 A273 H276 L558 E559 L565 W566	L271-V562 HydrophobicContact CD2-CG2 3.47Å; L271-V562 VanDerWaalsContact CD2-CG2 3.47Å; L271-V562 HydrophobicContact CG-CG2 4.04Å; A273-V562 HydrophobicContact CB-CB 4.21Å; A273-V562 HydrophobicContact CB-CG1 4.38Å; A273-V562 HydrophobicContact CB-CG2 4.16Å; H276-V562 HydrophobicContact CB-CG1 3.97Å; L558-V562 HydrophobicContact CD1-CG2 4.34Å; L558-V562 VanDerWaalsContact O-CG2 3.3Å; L558-V562 WeakPolarHBondContact O-CG2 3.39Å; L558-V562 PolarHBondContact O-N 2.8Å; E559-V562 PolarHBondContact O-N 2.91Å; V562-L565 PolarHBondContact O-N 3.46Å; V562-W566 PolarHBondContact O-N 3.37Å; V562-W566 VanDerWaalsContact O-N 3.09Å
563	E	94.5	Very high	89	Confident	48 Å²	48	34.7 Å²	34.7	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-46.4	175	-179.3	177.7	170.9	0	0	111.7	E559 N560 L565 W566 A567 Y600	E559-E563 PolarHBondContact O-N 2.94Å; E559-E563 VanDerWaalsContact O-N 3.11Å; N560-E563 PolarHBondContact O-N 3.31Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 2.88Å; E563-W566 WeakPolarHBondContact O-CB 3.16Å; E563-W566 PolarHBondContact O-N 2.96Å; E563-A567 PolarHBondContact O-N 2.99Å; E563-Y600 HydrophobicContact CG-CE1 3.75Å; E563-Y600 VanDerWaalsContact OE1-CE1 3.27Å; E563-Y600 WeakPolarHBondContact OE1-CE1 3.32Å; E563-Y600 PolarHBondContact OE1-OH 2.79Å
564	R	94.1	Very high	89.7	Confident	30 Å²	30	32 Å²	32	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-31.2	178.7	-66.9	-176.5	79.3	68.7	5.4	112.8	F66 E165 N560 A567 Y568 Y600 F602	F66-R564 HydrophobicContact CE1-CB 4.19Å; F66-R564 HydrophobicContact CE2-CB 3.82Å; F66-R564 HydrophobicContact CZ-CB 3.52Å; E165-R564 IonicContact OE1-CZ 2.81Å; E165-R564 IonicContact OE1-NE 2.7Å; E165-R564 PolarHBondContact OE1-NE 3.3Å; E165-R564 IonicContact OE2-CZ 3.77Å; E165-R564 IonicContact OE2-NE 3.4Å; E165-R564 PolarHBondContact OE2-NE 3.03Å; E165-R564 IonicContact OE2-NH2 3.77Å; E165-R564 PolarHBondContact OE2-NH2 3.26Å; N560-R564 WeakPolarHBondContact O-CB 3.35Å; N560-R564 VanDerWaalsContact O-CG 3.24Å; N560-R564 WeakPolarHBondContact O-CG 3.35Å; N560-R564 PolarHBondContact O-N 2.92Å; R564-A567 PolarHBondContact O-N 3.15Å; R564-Y568 WeakPolarHBondContact O-CB 3.23Å; R564-Y568 PolarHBondContact O-N 2.92Å; R564-Y600 HydrophobicContact CG-CD1 4.38Å; R564-Y600 PolarHBondContact NH1-O 2.79Å; R564-Y600 PolarHBondContact NH2-O 3.26Å; R564-F602 VanDerWaalsContact NH2-CE1 3.31Å; R564-F602 VanDerWaalsContact NH2-CZ 3.31Å
565	L	98.3	Very high	90.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-48.3	170.3	177.6	157.8	0	0	0	110.6	F66 V167 A278 F280 A512 H561 V562 E563 A567 Y568 L569	F66-L565 HydrophobicContact CB-CB 4.32Å; F66-L565 HydrophobicContact CB-CD1 4.3Å; F66-L565 HydrophobicContact CD2-CB 3.89Å; F66-L565 HydrophobicContact CG-CB 4.41Å; V167-L565 HydrophobicContact CG1-CD1 4.35Å; V167-L565 HydrophobicContact CG1-CG 4.37Å; V167-L565 HydrophobicContact CG2-CB 4.18Å; V167-L565 HydrophobicContact CG2-CD1 4.34Å; V167-L565 HydrophobicContact CG2-CG 3.72Å; A278-L565 HydrophobicContact CB-CD1 4.28Å; A278-L565 HydrophobicContact CB-CD2 3.88Å; F280-L565 HydrophobicContact CZ-CD1 4.04Å; A512-L565 HydrophobicContact CB-CD2 3.71Å; H561-L565 WeakPolarHBondContact O-CB 3.44Å; H561-L565 PolarHBondContact O-N 3.21Å; V562-L565 PolarHBondContact O-N 3.46Å; E563-L565 VanDerWaalsContact C-N 3.33Å; E563-L565 PolarHBondContact O-N 2.88Å; L565-A567 VanDerWaalsContact C-N 3.35Å; L565-A567 PolarHBondContact O-N 2.77Å; L565-Y568 PolarHBondContact O-N 2.87Å; L565-L569 HydrophobicContact CD2-CD1 3.7Å; L565-L569 HydrophobicContact CD2-CG 4.41Å; L565-L569 HydrophobicContact CG-CD1 4.46Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 2.75Å
566	W	98.4	Very high	90.7	Very high	18 Å²	18	30.8 Å²	30.8	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-46.6	175.2	165.7	72.9	0	0	0	111.4	H276 A494 A512 G513 R514 V562 E563 Y568 L569 T570 M596 Y600	H276-W566 AromaticContact CD2-CD2 3.93Å; H276-W566 AromaticContact CD2-CE3 3.76Å; H276-W566 AromaticContact NE2-CE3 3.77Å; A494-W566 HydrophobicContact CB-CZ2 3.94Å; A512-W566 HydrophobicContact CB-CB 4.01Å; A512-W566 HydrophobicContact CB-CG 4.49Å; G513-W566 VanDerWaalsContact CA-CD1 3.43Å; R514-W566 HydrophobicContact CB-CZ2 4.35Å; V562-W566 PolarHBondContact O-N 3.37Å; V562-W566 VanDerWaalsContact O-N 3.09Å; E563-W566 WeakPolarHBondContact O-CB 3.16Å; E563-W566 PolarHBondContact O-N 2.96Å; W566-Y568 PolarHBondContact O-N 2.9Å; W566-L569 PolarHBondContact O-N 3.33Å; W566-T570 PolarHBondContact NE1-OG1 3.34Å; W566-T570 VanDerWaalsContact O-CB 3.27Å; W566-T570 WeakPolarHBondContact O-CB 3.48Å; W566-T570 PolarHBondContact O-N 2.86Å; W566-T570 PolarHBondContact O-OG1 3.25Å; W566-M596 HydrophobicContact CE3-CE 4.31Å; W566-M596 HydrophobicContact CH2-CE 3.47Å; W566-M596 VanDerWaalsContact CH2-CE 3.47Å; W566-M596 HydrophobicContact CZ2-CE 3.97Å; W566-M596 HydrophobicContact CZ3-CE 3.67Å; W566-Y600 HydrophobicContact CZ3-CE2 4.05Å; W566-Y600 WeakPolarHBondContact CZ3-OH 3.35Å
567	A	97.7	Very high	91.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-46.2	178.6	0	0	0	0	0	112	E563 R564 L565 T570 I571 M596 Y600 F602	E563-A567 PolarHBondContact O-N 2.99Å; R564-A567 PolarHBondContact O-N 3.15Å; L565-A567 VanDerWaalsContact C-N 3.35Å; L565-A567 PolarHBondContact O-N 2.77Å; A567-T570 PolarHBondContact O-N 2.92Å; A567-I571 WeakPolarHBondContact O-CB 3.44Å; A567-I571 VanDerWaalsContact O-CG1 3.24Å; A567-I571 WeakPolarHBondContact O-CG1 3.08Å; A567-I571 PolarHBondContact O-N 3.49Å; A567-M596 HydrophobicContact CB-CE 4.27Å; A567-Y600 HydrophobicContact CB-CD1 3.86Å; A567-Y600 HydrophobicContact CB-CD2 3.51Å; A567-Y600 HydrophobicContact CB-CE1 3.99Å; A567-Y600 HydrophobicContact CB-CE2 3.63Å; A567-Y600 HydrophobicContact CB-CG 3.64Å; A567-F602 HydrophobicContact CB-CE2 4.37Å
568	Y	98.6	Very high	92.4	Very high	13 Å²	13	27.9 Å²	27.9	5%	0.051	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-51.5	177.5	172.8	-86.7	0	0	0	111.8	T94 F96 E166 V167 R564 L565 W566 T570 I571 Q572	T94-Y568 WeakPolarHBondContact O-CE2 3.44Å; T94-Y568 PolarHBondContact O-OH 2.83Å; F96-Y568 AromaticContact CD2-CD2 3.56Å; F96-Y568 HydrophobicContact CD2-CD2 3.56Å; F96-Y568 AromaticContact CD2-CE2 3.87Å; F96-Y568 HydrophobicContact CD2-CE2 3.87Å; F96-Y568 AromaticContact CE2-CD2 3.73Å; F96-Y568 HydrophobicContact CE2-CD2 3.73Å; F96-Y568 AromaticContact CE2-CE2 3.91Å; F96-Y568 HydrophobicContact CE2-CE2 3.91Å; F96-Y568 HydrophobicContact CG-CD2 4.45Å; F96-Y568 HydrophobicContact CG-CE2 4.45Å; E166-Y568 HydrophobicContact CB-CE2 4.27Å; V167-Y568 HydrophobicContact CB-CD1 3.68Å; V167-Y568 HydrophobicContact CB-CE1 3.7Å; V167-Y568 HydrophobicContact CG2-CD1 3.32Å; V167-Y568 HydrophobicContact CG2-CE1 3.9Å; V167-Y568 HydrophobicContact CG2-CG 3.92Å; R564-Y568 WeakPolarHBondContact O-CB 3.23Å; R564-Y568 PolarHBondContact O-N 2.92Å; L565-Y568 PolarHBondContact O-N 2.87Å; W566-Y568 PolarHBondContact O-N 2.9Å; Y568-T570 VanDerWaalsContact C-N 3.34Å; Y568-T570 PolarHBondContact O-N 2.7Å; Y568-I571 PolarHBondContact O-N 2.62Å; Y568-Q572 HydrophobicContact CD1-CG 4.35Å; Y568-Q572 HydrophobicContact CE1-CG 3.98Å; Y568-Q572 HydrophobicContact CE2-CG 4.38Å; Y568-Q572 VanDerWaalsContact O-CG 3.32Å; Y568-Q572 WeakPolarHBondContact O-CG 3.39Å; Y568-Q572 PolarHBondContact O-N 3.05Å; Y568-Q572 PolarHBondContact OH-NE2 3.47Å
569	L	97.9	Very high	92.8	Very high	36 Å²	36	29.8 Å²	29.8	19%	0.188	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-40.1	-179.6	-68.6	179.9	0	0	0	111.5	V167 T496 V510 A512 L565 W566 Q572 E573	V167-L569 HydrophobicContact CB-CD2 4.3Å; V167-L569 HydrophobicContact CG1-CD2 4.32Å; V167-L569 HydrophobicContact CG2-CD2 4.44Å; V167-L569 HydrophobicContact CG2-CG 4.36Å; T496-L569 HydrophobicContact CG2-CB 3.92Å; V510-L569 HydrophobicContact CG1-CD1 3.85Å; A512-L569 HydrophobicContact CB-CD1 4.01Å; L565-L569 HydrophobicContact CD2-CD1 3.7Å; L565-L569 HydrophobicContact CD2-CG 4.41Å; L565-L569 HydrophobicContact CG-CD1 4.46Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 2.75Å; W566-L569 PolarHBondContact O-N 3.33Å; L569-Q572 PolarHBondContact O-N 2.7Å; L569-E573 WeakPolarHBondContact O-CB 3.3Å; L569-E573 PolarHBondContact O-N 2.86Å
570	T	98.1	Very high	92.9	Very high	21 Å²	21	31.1 Å²	31.1	13%	0.129	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-44.3	178	-56.8	0	0	0	0	111.4	W566 A567 Y568 E573 L574 M596	W566-T570 PolarHBondContact NE1-OG1 3.34Å; W566-T570 VanDerWaalsContact O-CB 3.27Å; W566-T570 WeakPolarHBondContact O-CB 3.48Å; W566-T570 PolarHBondContact O-N 2.86Å; W566-T570 PolarHBondContact O-OG1 3.25Å; A567-T570 PolarHBondContact O-N 2.92Å; Y568-T570 VanDerWaalsContact C-N 3.34Å; Y568-T570 PolarHBondContact O-N 2.7Å; T570-E573 PolarHBondContact O-N 2.93Å; T570-L574 HydrophobicContact CG2-CD1 4.16Å; T570-L574 HydrophobicContact CG2-CG 4.44Å; T570-L574 VanDerWaalsContact O-CG 3.26Å; T570-L574 WeakPolarHBondContact O-CG 3.04Å; T570-L574 PolarHBondContact O-N 3.41Å; T570-M596 HydrophobicContact CG2-CE 3.88Å; T570-M596 HydrophobicContact CG2-SD 3.57Å; T570-M596 VanDerWaalsContact CG2-SD 3.57Å
571	I	97.4	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-47.2	176.4	-71.2	166.1	0	0	0	110.5	F96 A567 Y568 E573 L574 L575 M596 F602 T604	F96-I571 HydrophobicContact CE2-CB 4.31Å; F96-I571 HydrophobicContact CE2-CG2 3.8Å; F96-I571 HydrophobicContact CZ-CG2 3.96Å; A567-I571 WeakPolarHBondContact O-CB 3.44Å; A567-I571 VanDerWaalsContact O-CG1 3.24Å; A567-I571 WeakPolarHBondContact O-CG1 3.08Å; A567-I571 PolarHBondContact O-N 3.49Å; Y568-I571 PolarHBondContact O-N 2.62Å; I571-E573 VanDerWaalsContact C-N 3.29Å; I571-E573 PolarHBondContact O-N 3.48Å; I571-L574 PolarHBondContact O-N 3.06Å; I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.34Å; I571-L575 WeakPolarHBondContact O-CB 3.5Å; I571-L575 VanDerWaalsContact O-CG 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.47Å; I571-L575 PolarHBondContact O-N 2.79Å; I571-M596 HydrophobicContact CD1-CB 4.02Å; I571-M596 HydrophobicContact CG1-CB 3.8Å; I571-F602 HydrophobicContact CD1-CD2 3.71Å; I571-F602 HydrophobicContact CD1-CE2 4.37Å; I571-T604 HydrophobicContact CG2-CG2 4.11Å
572	Q	93.9	Very high	92.8	Very high	63 Å²	63	35 Å²	35	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-58.9	-42.2	177.1	-70.9	-72.5	9.5	0	0	111.6	F96 Y568 L569 L575 A576	F96-Q572 HydrophobicContact CE2-CG 4.24Å; F96-Q572 HydrophobicContact CZ-CG 4.09Å; F96-Q572 VanDerWaalsContact CZ-NE2 3.28Å; Y568-Q572 HydrophobicContact CD1-CG 4.35Å; Y568-Q572 HydrophobicContact CE1-CG 3.98Å; Y568-Q572 HydrophobicContact CE2-CG 4.38Å; Y568-Q572 VanDerWaalsContact O-CG 3.32Å; Y568-Q572 WeakPolarHBondContact O-CG 3.39Å; Y568-Q572 PolarHBondContact O-N 3.05Å; Y568-Q572 PolarHBondContact OH-NE2 3.47Å; L569-Q572 PolarHBondContact O-N 2.7Å; Q572-L575 PolarHBondContact O-N 2.8Å; Q572-A576 WeakPolarHBondContact O-CB 3.49Å; Q572-A576 PolarHBondContact O-N 2.88Å
573	E	94.1	Very high	92.6	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.164	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-40.9	177	-173.1	174.1	146.4	0	0	112.6	T496 Q497 L569 T570 I571 A576 K577	T496-E573 WeakPolarHBondContact CA-OE2 3.49Å; T496-E573 WeakPolarHBondContact CB-OE2 3.49Å; Q497-E573 PolarHBondContact N-OE1 2.8Å; Q497-E573 PolarHBondContact N-OE2 2.8Å; L569-E573 WeakPolarHBondContact O-CB 3.3Å; L569-E573 PolarHBondContact O-N 2.86Å; T570-E573 PolarHBondContact O-N 2.93Å; I571-E573 VanDerWaalsContact C-N 3.29Å; I571-E573 PolarHBondContact O-N 3.48Å; E573-A576 PolarHBondContact O-N 2.79Å; E573-K577 HydrophobicContact CG-CD 4.19Å; E573-K577 HydrophobicContact CG-CG 4.44Å; E573-K577 WeakPolarHBondContact O-CB 3.48Å; E573-K577 WeakPolarHBondContact O-CG 3.28Å; E573-K577 PolarHBondContact O-N 2.78Å; E573-K577 WeakPolarHBondContact OE1-CE 3.33Å; E573-K577 IonicContact OE1-NZ 3.49Å; E573-K577 PolarHBondContact OE1-NZ 2.88Å
574	L	95.2	Very high	92.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-40.6	174.8	-70.1	170.2	0	0	0	111.6	T570 I571 A576 K577 R578 L589 Q592 A593 M596	T570-L574 HydrophobicContact CG2-CD1 4.16Å; T570-L574 HydrophobicContact CG2-CG 4.44Å; T570-L574 VanDerWaalsContact O-CG 3.26Å; T570-L574 WeakPolarHBondContact O-CG 3.04Å; T570-L574 PolarHBondContact O-N 3.41Å; I571-L574 PolarHBondContact O-N 3.06Å; L574-A576 VanDerWaalsContact C-N 3.32Å; L574-A576 PolarHBondContact O-N 2.81Å; L574-K577 PolarHBondContact O-N 2.93Å; L574-R578 WeakPolarHBondContact O-CB 3.42Å; L574-R578 WeakPolarHBondContact O-CG 3.34Å; L574-R578 PolarHBondContact O-N 2.99Å; L574-L589 HydrophobicContact CD2-CD2 3.69Å; L574-Q592 HydrophobicContact CD1-CB 4.09Å; L574-Q592 HydrophobicContact CD2-CB 4.47Å; L574-A593 HydrophobicContact CB-CB 3.96Å; L574-A593 HydrophobicContact CD1-CB 4.11Å; L574-M596 HydrophobicContact CD1-SD 4.13Å
575	L	91.9	Very high	92.1	Very high	14 Å²	14	48 Å²	48	7%	0.073	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-35.1	175.9	-69.1	173	0	0	0	112.1	F96 I571 Q572 R578 M579 P605 L606	F96-L575 HydrophobicContact CZ-CD1 4.27Å; I571-L575 HydrophobicContact CG2-CD1 3.94Å; I571-L575 HydrophobicContact CG2-CG 4.34Å; I571-L575 WeakPolarHBondContact O-CB 3.5Å; I571-L575 VanDerWaalsContact O-CG 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.47Å; I571-L575 PolarHBondContact O-N 2.79Å; Q572-L575 PolarHBondContact O-N 2.8Å; L575-R578 WeakPolarHBondContact O-CG 3.47Å; L575-M579 WeakPolarHBondContact O-CG 3.36Å; L575-P605 HydrophobicContact CD1-CG 4.09Å; L575-P605 HydrophobicContact CD2-CB 4.41Å; L575-P605 HydrophobicContact CD2-CG 4.24Å; L575-L606 HydrophobicContact CD2-CD1 4.32Å
576	A	88.6	Confident	91.7	Very high	27 Å²	27	52.7 Å²	52.7	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-73.3	-45.4	173.7	0	0	0	0	0	112.2	M449 Q572 E573 L574 R578 M579	M449-A576 HydrophobicContact CE-CB 3.87Å; M449-A576 HydrophobicContact SD-CB 3.96Å; Q572-A576 WeakPolarHBondContact O-CB 3.49Å; Q572-A576 PolarHBondContact O-N 2.88Å; E573-A576 PolarHBondContact O-N 2.79Å; L574-A576 VanDerWaalsContact C-N 3.32Å; L574-A576 PolarHBondContact O-N 2.81Å; A576-R578 PolarHBondContact O-N 3.14Å; A576-M579 WeakPolarHBondContact O-CB 3.45Å; A576-M579 PolarHBondContact O-N 2.6Å
577	K	90.3	Very high	91.2	Very high	94 Å²	94	54.4 Å²	54.4	41%	0.409	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-43	-179.6	-77	178.2	-178.9	171.4	0	112.2	E573 L574 M579 K580 L589	E573-K577 HydrophobicContact CG-CD 4.19Å; E573-K577 HydrophobicContact CG-CG 4.44Å; E573-K577 WeakPolarHBondContact O-CB 3.48Å; E573-K577 WeakPolarHBondContact O-CG 3.28Å; E573-K577 PolarHBondContact O-N 2.78Å; E573-K577 WeakPolarHBondContact OE1-CE 3.33Å; E573-K577 IonicContact OE1-NZ 3.49Å; E573-K577 PolarHBondContact OE1-NZ 2.88Å; L574-K577 PolarHBondContact O-N 2.93Å; K577-M579 PolarHBondContact O-N 3.06Å; K577-M579 VanDerWaalsContact O-N 3.09Å; K577-K580 PolarHBondContact O-N 2.79Å; K577-K580 VanDerWaalsContact O-N 3.09Å; K577-L589 HydrophobicContact CB-CD1 3.86Å
578	R	91.2	Very high	91	Very high	42 Å²	42	58.7 Å²	58.7	16%	0.158	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.5	-179.6	73.1	173.4	-169.9	165.6	4.2	113.8	L574 L575 A576 K580 R586 L589 L606	L574-R578 WeakPolarHBondContact O-CB 3.42Å; L574-R578 WeakPolarHBondContact O-CG 3.34Å; L574-R578 PolarHBondContact O-N 2.99Å; L575-R578 WeakPolarHBondContact O-CG 3.47Å; A576-R578 PolarHBondContact O-N 3.14Å; R578-K580 VanDerWaalsContact C-N 3.34Å; R578-R586 HydrophobicContact CB-CG 4.32Å; R578-R586 PolarHBondContact O-NH1 2.91Å; R578-L589 HydrophobicContact CB-CB 4.02Å; R578-L589 HydrophobicContact CB-CD1 4.21Å; R578-L606 VanDerWaalsContact NH1-CD2 3.27Å
579	M	84.4	Confident	90.7	Very high	44 Å²	44	59 Å²	59	22%	0.217	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24	178.9	-67.3	167.1	72.2	0	0	112.1	N442 E445 V446 L575 A576 K577	N442-M579 HydrophobicContact CB-CE 4.4Å; N442-M579 WeakPolarHBondContact OD1-CE 3.36Å; E445-M579 HydrophobicContact CB-CE 4.33Å; E445-M579 WeakPolarHBondContact OE2-CE 3.38Å; V446-M579 HydrophobicContact CG2-CB 4Å; V446-M579 VanDerWaalsContact CG2-O 3.27Å; V446-M579 WeakPolarHBondContact CG2-O 3.3Å; L575-M579 WeakPolarHBondContact O-CG 3.36Å; A576-M579 WeakPolarHBondContact O-CB 3.45Å; A576-M579 PolarHBondContact O-N 2.6Å; K577-M579 PolarHBondContact O-N 3.06Å; K577-M579 VanDerWaalsContact O-N 3.09Å
580	K	83.1	Confident	90.5	Very high	72 Å²	72	58.4 Å²	58.4	31%	0.313	31%	0.31	S	S	.	.	S	Bend	trans	-96	-8.1	-177.4	-46.1	-171.5	-138.1	173.6	0	114.4	V446 M449 E450 K577 R578	V446-K580 HydrophobicContact CG1-CB 4.3Å; V446-K580 HydrophobicContact CG1-CG 4.17Å; V446-K580 HydrophobicContact CG2-CG 4.47Å; M449-K580 VanDerWaalsContact C-NZ 3.28Å; M449-K580 HydrophobicContact CB-CD 3.87Å; M449-K580 VanDerWaalsContact CB-NZ 3.26Å; M449-K580 PolarHBondContact O-NZ 3.03Å; E450-K580 HydrophobicContact CG-CD 3.95Å; K577-K580 PolarHBondContact O-N 2.79Å; K577-K580 VanDerWaalsContact O-N 3.09Å; R578-K580 VanDerWaalsContact C-N 3.34Å
581	V	86.5	Confident	90.2	Very high	29 Å²	29	61 Å²	61	18%	0.176	33%	0.328	C	S	.	.			trans	-121.4	149.8	-175.8	-58.2	0	0	0	0	109.8	E585 R586 L589	V581-E585 HydrophobicContact CB-CB 4.37Å; V581-E585 HydrophobicContact CB-CG 4.35Å; V581-E585 HydrophobicContact CG2-CB 4.26Å; V581-E585 HydrophobicContact CG2-CG 4.1Å; V581-R586 HydrophobicContact CG2-CB 4.22Å; V581-R586 WeakPolarHBondContact O-CB 3.37Å; V581-L589 HydrophobicContact CG2-CD1 3.6Å
582	D	82.4	Confident	90	Very high	134 Å²	134	64.5 Å²	64.5	72%	0.717	35%	0.345	S	S	*	.			trans	-117.7	171.8	-178.5	-70.8	-42.6	0	0	0	111.5
583	G	88	Confident	90	Very high	60 Å²	60	61.5 Å²	61.5	62%	0.619	33%	0.331	S	S	*	.	H	α-helix	trans	64.3	-135.6	173	0	0	0	0	0	114.5	E585 R586 A587	G583-E585 PolarHBondContact O-N 3.31Å; G583-R586 PolarHBondContact O-N 3.26Å; G583-A587 PolarHBondContact O-N 2.81Å
584	E	88.1	Confident	90	Very high	174 Å²	174	61.7 Å²	61.7	81%	0.813	33%	0.333	S	S	*	.	H	α-helix	trans	-66.2	-36.3	-172.8	-170.2	174.8	-177.1	0	0	112.8	R586 A587 N588	E584-R586 PolarHBondContact O-N 2.73Å; E584-A587 WeakPolarHBondContact O-CB 3.29Å; E584-A587 PolarHBondContact O-N 2.76Å; E584-N588 PolarHBondContact O-N 2.71Å
585	E	89.6	Confident	89.9	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	36%	0.358	S	S	*	.	H	α-helix	trans	-64.7	-42	179.4	-167.5	176.8	174.7	0	0	111.3	V581 G583 A587 N588 L589	V581-E585 HydrophobicContact CB-CB 4.37Å; V581-E585 HydrophobicContact CB-CG 4.35Å; V581-E585 HydrophobicContact CG2-CB 4.26Å; V581-E585 HydrophobicContact CG2-CG 4.1Å; G583-E585 PolarHBondContact O-N 3.31Å; E585-A587 VanDerWaalsContact C-N 3.3Å; E585-A587 PolarHBondContact O-N 2.85Å; E585-N588 PolarHBondContact O-N 2.71Å; E585-L589 HydrophobicContact CG-CD1 4.48Å; E585-L589 WeakPolarHBondContact O-CG 3.19Å; E585-L589 PolarHBondContact O-N 3.5Å
586	R	89.9	Confident	89.8	Confident	100 Å²	100	69 Å²	69	38%	0.377	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-41.2	173.4	-173.6	179.3	172.7	108.6	-7.7	112	R578 V581 G583 E584 S590	R578-R586 HydrophobicContact CB-CG 4.32Å; R578-R586 PolarHBondContact O-NH1 2.91Å; V581-R586 HydrophobicContact CG2-CB 4.22Å; V581-R586 WeakPolarHBondContact O-CB 3.37Å; G583-R586 PolarHBondContact O-N 3.26Å; E584-R586 PolarHBondContact O-N 2.73Å; R586-S590 VanDerWaalsContact O-CB 3.28Å; R586-S590 WeakPolarHBondContact O-CB 3.45Å; R586-S590 PolarHBondContact O-N 3.39Å; R586-S590 PolarHBondContact O-OG 3.29Å
587	A	89.1	Confident	90	Very high	55 Å²	55	67.7 Å²	67.7	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-67.6	-39.8	178.2	0	0	0	0	0	111.8	G583 E584 E585 S590 S591	G583-A587 PolarHBondContact O-N 2.81Å; E584-A587 WeakPolarHBondContact O-CB 3.29Å; E584-A587 PolarHBondContact O-N 2.76Å; E585-A587 VanDerWaalsContact C-N 3.3Å; E585-A587 PolarHBondContact O-N 2.85Å; A587-S590 PolarHBondContact O-N 2.92Å; A587-S591 WeakPolarHBondContact O-CB 3.23Å; A587-S591 PolarHBondContact O-N 2.55Å; A587-S591 PolarHBondContact O-OG 2.89Å
588	N	92.6	Very high	89.7	Confident	89 Å²	89	66.6 Å²	66.6	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-63.8	-51.3	175.3	-173.7	-4.3	0	0	0	111.3	E584 E585 S590 S591 Q592	E584-N588 PolarHBondContact O-N 2.71Å; E585-N588 PolarHBondContact O-N 2.71Å; N588-S590 VanDerWaalsContact C-N 3.29Å; N588-S590 PolarHBondContact O-N 3.49Å; N588-S591 WeakPolarHBondContact O-CB 3.29Å; N588-S591 PolarHBondContact O-N 2.91Å; N588-Q592 WeakPolarHBondContact O-CG 3Å; N588-Q592 PolarHBondContact O-N 3.41Å; N588-Q592 PolarHBondContact OD1-NE2 2.94Å
589	L	93.3	Very high	89.4	Confident	19 Å²	19	70.1 Å²	70.1	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-58.9	-40.5	176.6	-68.3	175.3	0	0	0	112	L574 K577 R578 V581 E585 S591 Q592 A593	L574-L589 HydrophobicContact CD2-CD2 3.69Å; K577-L589 HydrophobicContact CB-CD1 3.86Å; R578-L589 HydrophobicContact CB-CB 4.02Å; R578-L589 HydrophobicContact CB-CD1 4.21Å; V581-L589 HydrophobicContact CG2-CD1 3.6Å; E585-L589 HydrophobicContact CG-CD1 4.48Å; E585-L589 WeakPolarHBondContact O-CG 3.19Å; E585-L589 PolarHBondContact O-N 3.5Å; L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 2.99Å; L589-Q592 PolarHBondContact O-N 2.99Å; L589-A593 WeakPolarHBondContact O-CB 3.18Å; L589-A593 PolarHBondContact O-N 2.92Å
590	S	92.3	Very high	89.5	Confident	25 Å²	25	69.6 Å²	69.6	18%	0.175	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-38.3	175.6	-61.1	0	0	0	0	112	R586 A587 N588 L594 L606	R586-S590 VanDerWaalsContact O-CB 3.28Å; R586-S590 WeakPolarHBondContact O-CB 3.45Å; R586-S590 PolarHBondContact O-N 3.39Å; R586-S590 PolarHBondContact O-OG 3.29Å; A587-S590 PolarHBondContact O-N 2.92Å; N588-S590 VanDerWaalsContact C-N 3.29Å; N588-S590 PolarHBondContact O-N 3.49Å; S590-L594 VanDerWaalsContact O-CB 3.28Å; S590-L594 WeakPolarHBondContact O-CB 3.23Å; S590-L594 PolarHBondContact O-N 2.75Å; S590-L606 VanDerWaalsContact O-CD1 3.29Å; S590-L606 WeakPolarHBondContact O-CD1 3.07Å
591	S	91.9	Very high	89.8	Confident	75 Å²	75	67 Å²	67	52%	0.524	36%	0.359	S	S	.	.	H	α-helix	trans	-68.3	-39.4	177.1	-59.4	0	0	0	0	112.1	A587 N588 L589 L594 R595	A587-S591 WeakPolarHBondContact O-CB 3.23Å; A587-S591 PolarHBondContact O-N 2.55Å; A587-S591 PolarHBondContact O-OG 2.89Å; N588-S591 WeakPolarHBondContact O-CB 3.29Å; N588-S591 PolarHBondContact O-N 2.91Å; L589-S591 VanDerWaalsContact C-N 3.34Å; L589-S591 PolarHBondContact O-N 2.99Å; S591-L594 PolarHBondContact O-N 3.31Å; S591-R595 WeakPolarHBondContact O-CB 3.31Å; S591-R595 PolarHBondContact O-N 2.83Å
592	Q	93.7	Very high	90.3	Very high	73 Å²	73	65.6 Å²	65.6	34%	0.341	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-47.9	174.4	-69	-179.8	47.7	0	0	111.5	L574 N588 L589 L594 R595 M596	L574-Q592 HydrophobicContact CD1-CB 4.09Å; L574-Q592 HydrophobicContact CD2-CB 4.47Å; N588-Q592 WeakPolarHBondContact O-CG 3Å; N588-Q592 PolarHBondContact O-N 3.41Å; N588-Q592 PolarHBondContact OD1-NE2 2.94Å; L589-Q592 PolarHBondContact O-N 2.99Å; Q592-L594 PolarHBondContact O-N 3.21Å; Q592-R595 PolarHBondContact O-N 2.94Å; Q592-M596 WeakPolarHBondContact O-CG 3.29Å; Q592-M596 PolarHBondContact O-N 3.41Å
593	A	94.8	Very high	90.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-44.7	176.8	0	0	0	0	0	111.2	L574 L589 R595 M596 S597 L606	L574-A593 HydrophobicContact CB-CB 3.96Å; L574-A593 HydrophobicContact CD1-CB 4.11Å; L589-A593 WeakPolarHBondContact O-CB 3.18Å; L589-A593 PolarHBondContact O-N 2.92Å; A593-R595 PolarHBondContact O-N 3.23Å; A593-M596 PolarHBondContact O-N 2.91Å; A593-S597 WeakPolarHBondContact O-CB 3.3Å; A593-S597 PolarHBondContact O-N 3.28Å; A593-S597 PolarHBondContact O-OG 3.47Å; A593-L606 HydrophobicContact CB-CD1 3.55Å
594	L	92.6	Very high	91.3	Very high	39 Å²	39	56.5 Å²	56.5	20%	0.204	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-47.7	175.4	174.3	60.7	0	0	0	111.9	D115 S590 S591 Q592 S597 L598 L606 T607	D115-L594 HydrophobicContact CB-CD1 4.25Å; S590-L594 VanDerWaalsContact O-CB 3.28Å; S590-L594 WeakPolarHBondContact O-CB 3.23Å; S590-L594 PolarHBondContact O-N 2.75Å; S591-L594 PolarHBondContact O-N 3.31Å; Q592-L594 PolarHBondContact O-N 3.21Å; L594-S597 PolarHBondContact O-N 3.42Å; L594-L598 HydrophobicContact CD1-CD1 3.97Å; L594-L598 HydrophobicContact CD1-CG 4.14Å; L594-L598 HydrophobicContact CG-CD1 4.15Å; L594-L598 WeakPolarHBondContact O-CG 3.24Å; L594-L598 PolarHBondContact O-N 2.92Å; L594-L606 HydrophobicContact CB-CB 4.41Å; L594-L606 HydrophobicContact CB-CD1 4.32Å; L594-L606 HydrophobicContact CD1-CB 4.33Å; L594-T607 HydrophobicContact CD1-CG2 3.62Å
595	R	92.8	Very high	91.5	Very high	159 Å²	159	50.2 Å²	50.2	60%	0.6	26%	0.262	S	S	*	.	H	α-helix	trans	-59.7	-48.7	179	-175.8	179	67.3	-179.3	0	111.2	S591 Q592 A593 S597 L598 D599	S591-R595 WeakPolarHBondContact O-CB 3.31Å; S591-R595 PolarHBondContact O-N 2.83Å; Q592-R595 PolarHBondContact O-N 2.94Å; A593-R595 PolarHBondContact O-N 3.23Å; R595-S597 PolarHBondContact O-N 3.21Å; R595-L598 PolarHBondContact O-N 3.32Å; R595-D599 WeakPolarHBondContact O-CB 3.41Å; R595-D599 VanDerWaalsContact O-CG 3.28Å; R595-D599 PolarHBondContact O-N 2.82Å
596	M	91.5	Very high	91.6	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.099	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177.8	-68.6	-167.6	73.1	0	0	112.4	W566 A567 T570 I571 L574 Q592 A593 L598 D599 Y600	W566-M596 HydrophobicContact CE3-CE 4.31Å; W566-M596 HydrophobicContact CH2-CE 3.47Å; W566-M596 VanDerWaalsContact CH2-CE 3.47Å; W566-M596 HydrophobicContact CZ2-CE 3.97Å; W566-M596 HydrophobicContact CZ3-CE 3.67Å; A567-M596 HydrophobicContact CB-CE 4.27Å; T570-M596 HydrophobicContact CG2-CE 3.88Å; T570-M596 HydrophobicContact CG2-SD 3.57Å; T570-M596 VanDerWaalsContact CG2-SD 3.57Å; I571-M596 HydrophobicContact CD1-CB 4.02Å; I571-M596 HydrophobicContact CG1-CB 3.8Å; L574-M596 HydrophobicContact CD1-SD 4.13Å; Q592-M596 WeakPolarHBondContact O-CG 3.29Å; Q592-M596 PolarHBondContact O-N 3.41Å; A593-M596 PolarHBondContact O-N 2.91Å; M596-L598 VanDerWaalsContact C-N 3.25Å; M596-L598 PolarHBondContact O-N 3.44Å; M596-D599 PolarHBondContact O-N 2.79Å; M596-Y600 HydrophobicContact CE-CE2 4.25Å; M596-Y600 WeakPolarHBondContact O-CD2 3.38Å; M596-Y600 PolarHBondContact O-N 2.86Å
597	S	91.7	Very high	91.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-36.6	175.2	-62.1	0	0	0	0	112.2	A593 L594 R595 G601 F602 T604	A593-S597 WeakPolarHBondContact O-CB 3.3Å; A593-S597 PolarHBondContact O-N 3.28Å; A593-S597 PolarHBondContact O-OG 3.47Å; L594-S597 PolarHBondContact O-N 3.42Å; R595-S597 PolarHBondContact O-N 3.21Å; S597-G601 CarbonylContact O-C 3.51Å; S597-G601 WeakPolarHBondContact O-CA 3.48Å; S597-G601 PolarHBondContact O-N 2.94Å; S597-G601 VanDerWaalsContact O-N 3.08Å; S597-F602 PolarHBondContact O-N 3.41Å; S597-T604 WeakPolarHBondContact OG-CG2 3.45Å; S597-T604 PolarHBondContact OG-OG1 3.49Å
598	L	84.8	Confident	91.6	Very high	72 Å²	72	38.8 Å²	38.8	38%	0.377	20%	0.204	S	C	.	.	H	α-helix	trans	-75.7	-42	176.5	-67.5	172.6	0	0	0	112.6	I113 L594 R595 M596 Y600 G601 T607	I113-L598 HydrophobicContact CG2-CD2 4.27Å; L594-L598 HydrophobicContact CD1-CD1 3.97Å; L594-L598 HydrophobicContact CD1-CG 4.14Å; L594-L598 HydrophobicContact CG-CD1 4.15Å; L594-L598 WeakPolarHBondContact O-CG 3.24Å; L594-L598 PolarHBondContact O-N 2.92Å; R595-L598 PolarHBondContact O-N 3.32Å; M596-L598 VanDerWaalsContact C-N 3.25Å; M596-L598 PolarHBondContact O-N 3.44Å; L598-Y600 VanDerWaalsContact C-N 3.34Å; L598-Y600 PolarHBondContact O-N 2.82Å; L598-G601 PolarHBondContact O-N 2.86Å; L598-T607 HydrophobicContact CD2-CG2 3.85Å; L598-T607 HydrophobicContact CG-CG2 4.1Å
599	D	84.8	Confident	91.3	Very high	115 Å²	115	34.6 Å²	34.6	62%	0.615	18%	0.182	S	C	*	.	H	α-helix	trans	-63.5	-40.5	-178.8	-72.1	-21.8	0	0	0	111.7	R595 M596	R595-D599 WeakPolarHBondContact O-CB 3.41Å; R595-D599 VanDerWaalsContact O-CG 3.28Å; R595-D599 PolarHBondContact O-N 2.82Å; M596-D599 PolarHBondContact O-N 2.79Å
600	Y	85.8	Confident	90.8	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.129	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.5	179.3	-71.5	-78.8	0	0	0	114.3	E563 R564 W566 A567 M596 L598 F602	E563-Y600 HydrophobicContact CG-CE1 3.75Å; E563-Y600 VanDerWaalsContact OE1-CE1 3.27Å; E563-Y600 WeakPolarHBondContact OE1-CE1 3.32Å; E563-Y600 PolarHBondContact OE1-OH 2.79Å; R564-Y600 HydrophobicContact CG-CD1 4.38Å; R564-Y600 PolarHBondContact NH1-O 2.79Å; R564-Y600 PolarHBondContact NH2-O 3.26Å; W566-Y600 HydrophobicContact CZ3-CE2 4.05Å; W566-Y600 WeakPolarHBondContact CZ3-OH 3.35Å; A567-Y600 HydrophobicContact CB-CD1 3.86Å; A567-Y600 HydrophobicContact CB-CD2 3.51Å; A567-Y600 HydrophobicContact CB-CE1 3.99Å; A567-Y600 HydrophobicContact CB-CE2 3.63Å; A567-Y600 HydrophobicContact CB-CG 3.64Å; M596-Y600 HydrophobicContact CE-CE2 4.25Å; M596-Y600 WeakPolarHBondContact O-CD2 3.38Å; M596-Y600 PolarHBondContact O-N 2.86Å; L598-Y600 VanDerWaalsContact C-N 3.34Å; L598-Y600 PolarHBondContact O-N 2.82Å; Y600-F602 HydrophobicContact CG-CE2 4.44Å
601	G	90.4	Very high	90.3	Very high	18 Å²	18	32.6 Å²	32.6	19%	0.186	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	53.8	179.8	0	0	0	0	0	112.7	S98 I113 S597 L598	S98-G601 VanDerWaalsContact CA-O 3.23Å; S98-G601 WeakPolarHBondContact CA-O 3.32Å; I113-G601 WeakPolarHBondContact CD1-O 3.32Å; S597-G601 CarbonylContact O-C 3.51Å; S597-G601 WeakPolarHBondContact O-CA 3.48Å; S597-G601 PolarHBondContact O-N 2.94Å; S597-G601 VanDerWaalsContact O-N 3.08Å; L598-G601 PolarHBondContact O-N 2.86Å
602	F	96.1	Very high	89.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.			trans	-106.4	135.3	174.8	-73	-55.2	0	0	0	111.8	F96 E165 R564 A567 I571 S597 Y600 T604 T607	F96-F602 HydrophobicContact CB-CB 4.06Å; F96-F602 HydrophobicContact CB-CD1 3.46Å; F96-F602 VanDerWaalsContact CB-CD1 3.46Å; F96-F602 HydrophobicContact CB-CE1 4.12Å; F96-F602 HydrophobicContact CB-CG 4Å; F96-F602 HydrophobicContact CD2-CB 4.28Å; F96-F602 HydrophobicContact CD2-CD1 4.18Å; F96-F602 HydrophobicContact CD2-CD2 4.44Å; F96-F602 HydrophobicContact CD2-CG 4.07Å; F96-F602 HydrophobicContact CG-CB 4.36Å; F96-F602 HydrophobicContact CG-CD1 4.29Å; F96-F602 HydrophobicContact CG-CG 4.41Å; E165-F602 HydrophobicContact CB-CE1 4.22Å; E165-F602 WeakPolarHBondContact OE2-CE1 3.24Å; R564-F602 VanDerWaalsContact NH2-CE1 3.31Å; R564-F602 VanDerWaalsContact NH2-CZ 3.31Å; A567-F602 HydrophobicContact CB-CE2 4.37Å; I571-F602 HydrophobicContact CD1-CD2 3.71Å; I571-F602 HydrophobicContact CD1-CE2 4.37Å; S597-F602 PolarHBondContact O-N 3.41Å; Y600-F602 HydrophobicContact CG-CE2 4.44Å; F602-T604 HydrophobicContact CB-CG2 3.67Å; F602-T604 PolarHBondContact O-N 3.24Å; F602-T607 PolarHBondContact O-OG1 2.99Å
603	V	95.6	Very high	88.2	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-80.5	111.6	163.9	-178.4	0	0	0	0	108.5	F96 I97 I113 M609 I624	F96-V603 WeakPolarHBondContact CD1-O 3.41Å; I97-V603 HydrophobicContact CB-CB 4.08Å; I97-V603 HydrophobicContact CB-CG2 4.06Å; I97-V603 HydrophobicContact CG2-CG2 4.23Å; I97-V603 PolarHBondContact O-N 3.07Å; I113-V603 HydrophobicContact CD1-CG2 4.36Å; I113-V603 HydrophobicContact CG1-CG2 4.39Å; V603-M609 HydrophobicContact CG2-CB 3.74Å; V603-M609 HydrophobicContact CG2-CE 4.12Å; V603-I624 HydrophobicContact CG1-CG2 4.43Å
604	T	95.4	Very high	87.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-131.4	176	-173.5	68.5	0	0	0	0	109	F96 I571 S597 F602 L606 T607	F96-T604 HydrophobicContact CD1-CG2 4.1Å; F96-T604 HydrophobicContact CD2-CG2 4.23Å; F96-T604 HydrophobicContact CE1-CG2 4.11Å; F96-T604 HydrophobicContact CE2-CG2 4.24Å; F96-T604 HydrophobicContact CG-CG2 4.18Å; F96-T604 HydrophobicContact CZ-CG2 4.18Å; I571-T604 HydrophobicContact CG2-CG2 4.11Å; S597-T604 WeakPolarHBondContact OG-CG2 3.45Å; S597-T604 PolarHBondContact OG-OG1 3.49Å; F602-T604 HydrophobicContact CB-CG2 3.67Å; F602-T604 PolarHBondContact O-N 3.24Å; T604-L606 PolarHBondContact O-N 2.94Å; T604-L606 PolarHBondContact OG1-N 2.97Å; T604-T607 PolarHBondContact N-OG1 3.29Å; T604-T607 PolarHBondContact O-N 2.86Å; T604-T607 VanDerWaalsContact O-N 3.08Å; T604-T607 PolarHBondContact OG1-OG1 2.8Å
605	P	92.2	Very high	86.5	Confident	42 Å²	42	33.1 Å²	33.1	27%	0.273	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-13.5	176.6	-28.4	37.7	0	0	0	115.2	K116 L575 K626	K116-P605 WeakPolarHBondContact CD-O 3.45Å; L575-P605 HydrophobicContact CD1-CG 4.09Å; L575-P605 HydrophobicContact CD2-CB 4.41Å; L575-P605 HydrophobicContact CD2-CG 4.24Å; P605-K626 HydrophobicContact CG-CB 4.44Å; P605-K626 HydrophobicContact CG-CG 4.2Å
606	L	91.9	Very high	85.8	Confident	32 Å²	32	26.2 Å²	26.2	17%	0.168	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-9.4	-178.6	-65.8	171.8	0	0	0	114.2	K116 L575 R578 S590 A593 L594 T604	K116-L606 WeakPolarHBondContact CB-O 3.45Å; K116-L606 PolarHBondContact N-O 3.32Å; K116-L606 VanDerWaalsContact N-O 3.08Å; L575-L606 HydrophobicContact CD2-CD1 4.32Å; R578-L606 VanDerWaalsContact NH1-CD2 3.27Å; S590-L606 VanDerWaalsContact O-CD1 3.29Å; S590-L606 WeakPolarHBondContact O-CD1 3.07Å; A593-L606 HydrophobicContact CB-CD1 3.55Å; L594-L606 HydrophobicContact CB-CB 4.41Å; L594-L606 HydrophobicContact CB-CD1 4.32Å; L594-L606 HydrophobicContact CD1-CB 4.33Å; T604-L606 PolarHBondContact O-N 2.94Å; T604-L606 PolarHBondContact OG1-N 2.97Å
607	T	90.9	Very high	84.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.4	-175.4	45.3	0	0	0	0	110.8	I113 K114 L594 L598 F602 T604	I113-T607 HydrophobicContact CG2-CG2 4.44Å; K114-T607 CarbonylContact O-C 3.51Å; K114-T607 WeakPolarHBondContact O-CA 3.38Å; L594-T607 HydrophobicContact CD1-CG2 3.62Å; L598-T607 HydrophobicContact CD2-CG2 3.85Å; L598-T607 HydrophobicContact CG-CG2 4.1Å; F602-T607 PolarHBondContact O-OG1 2.99Å; T604-T607 PolarHBondContact N-OG1 3.29Å; T604-T607 PolarHBondContact O-N 2.86Å; T604-T607 VanDerWaalsContact O-N 3.08Å; T604-T607 PolarHBondContact OG1-OG1 2.8Å
608	S	88.8	Confident	83.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.2	173	-44.9	0	0	0	0	109.8	I113 K114 K116 I624 D625	I113-S608 WeakPolarHBondContact CA-O 3.33Å; K114-S608 PolarHBondContact N-O 2.9Å; K114-S608 PolarHBondContact O-N 2.83Å; K116-S608 VanDerWaalsContact CA-OG 3.28Å; K116-S608 WeakPolarHBondContact CA-OG 3.44Å; K116-S608 WeakPolarHBondContact CB-OG 3.47Å; K116-S608 WeakPolarHBondContact CG-OG 3.29Å; S608-I624 WeakPolarHBondContact CA-O 3.48Å; S608-D625 VanDerWaalsContact CB-OD1 3.24Å; S608-D625 WeakPolarHBondContact CB-OD1 3.48Å; S608-D625 PolarHBondContact OG-OD1 2.76Å
609	M	86.2	Confident	83.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130	170.2	177.3	-172.5	-72.5	0	0	109.5	I97 F100 G111 D112 I113 V603 I623 I624	I97-M609 HydrophobicContact CG2-CE 4.19Å; F100-M609 HydrophobicContact CB-SD 3.65Å; G111-M609 VanDerWaalsContact CA-CG 3.45Å; D112-M609 WeakPolarHBondContact O-CA 3.32Å; I113-M609 HydrophobicContact CD1-CE 3.68Å; I113-M609 HydrophobicContact CG1-CB 4.04Å; I113-M609 HydrophobicContact CG1-CE 3.53Å; I113-M609 HydrophobicContact CG1-CG 4.24Å; V603-M609 HydrophobicContact CG2-CB 3.74Å; V603-M609 HydrophobicContact CG2-CE 4.12Å; M609-I623 WeakPolarHBondContact O-CA 3.11Å; M609-I624 HydrophobicContact CB-CB 4.08Å; M609-I624 HydrophobicContact CB-CD1 4.47Å; M609-I624 HydrophobicContact CG-CD1 4.21Å; M609-I624 PolarHBondContact N-O 2.78Å; M609-I624 PolarHBondContact O-N 2.97Å; M609-I624 HydrophobicContact SD-CD1 3.71Å
610	S	83.8	Confident	82.6	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.6	178.9	70.3	0	0	0	0	111	D112 K114 P622	D112-S610 PolarHBondContact N-O 3.1Å; D112-S610 PolarHBondContact O-N 3.21Å; K114-S610 VanDerWaalsContact CE-OG 3.23Å; K114-S610 WeakPolarHBondContact CE-OG 3.31Å; K114-S610 PolarHBondContact NZ-OG 2.81Å; S610-P622 WeakPolarHBondContact CA-O 3.19Å
611	I	79.9	Confident	82.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.3	-179.9	-50.9	174.2	0	0	0	109.4	F100 I102 F109 M614 K621 P622	F100-I611 HydrophobicContact CD1-CD1 3.46Å; F100-I611 VanDerWaalsContact CD1-CD1 3.46Å; F100-I611 HydrophobicContact CD1-CG1 4.35Å; F100-I611 HydrophobicContact CE1-CD1 3.44Å; F100-I611 VanDerWaalsContact CE1-CD1 3.44Å; I102-I611 HydrophobicContact CD1-CD1 4.35Å; F109-I611 HydrophobicContact CB-CG2 3.99Å; I611-M614 HydrophobicContact CG2-CE 4.25Å; I611-M614 HydrophobicContact CG2-CG 4.3Å; I611-M614 HydrophobicContact CG2-SD 4.15Å; I611-K621 WeakPolarHBondContact O-CB 3.33Å; I611-P622 HydrophobicContact CB-CB 4.3Å; I611-P622 HydrophobicContact CB-CG 4.14Å; I611-P622 HydrophobicContact CD1-CB 4.02Å; I611-P622 HydrophobicContact CD1-CG 4.32Å; I611-P622 HydrophobicContact CG1-CB 4.3Å; I611-P622 PolarHBondContact N-O 2.94Å; I611-P622 VanDerWaalsContact N-O 3.14Å
612	R	74.4	Confident	81.9	Confident	144 Å²	144	33.8 Å²	33.8	54%	0.543	19%	0.185	S	C	.	.	S	Bend	trans	-89.7	156.4	172.6	-60.1	-171.6	-164.9	-166	6	110.4	F109 D112 M614	F109-R612 WeakPolarHBondContact CD1-O 3.45Å; D112-R612 IonicContact OD2-CZ 2.79Å; D112-R612 VanDerWaalsContact OD2-CZ 3.31Å; D112-R612 IonicContact OD2-NE 3.57Å; D112-R612 PolarHBondContact OD2-NE 2.89Å; D112-R612 IonicContact OD2-NH2 2.88Å; D112-R612 PolarHBondContact OD2-NH2 2.94Å; R612-M614 VanDerWaalsContact C-N 3.32Å
613	G	68.8	Low	81.4	Confident	27 Å²	27	34 Å²	34	28%	0.278	19%	0.185	S	C	.	.	S	Bend	trans	83.7	4	178.2	0	0	0	0	0	114.8	S646	G613-S646 PolarHBondContact O-N 2.52Å; G613-S646 VanDerWaalsContact O-N 3.08Å
614	M	74.6	Confident	81.1	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.5	175.1	-56.6	-169.6	-174.1	0	0	109.8	I102 F109 I148 L150 I611 R612 P622 L645	I102-M614 HydrophobicContact CB-CE 3.79Å; I102-M614 HydrophobicContact CD1-CE 3.43Å; I102-M614 VanDerWaalsContact CD1-CE 3.43Å; I102-M614 HydrophobicContact CD1-SD 3.88Å; I102-M614 HydrophobicContact CG1-CE 4.13Å; I102-M614 HydrophobicContact CG2-CE 3.96Å; F109-M614 HydrophobicContact CB-CE 3.5Å; F109-M614 HydrophobicContact CD1-CE 4.09Å; F109-M614 HydrophobicContact CD1-CG 4.42Å; F109-M614 HydrophobicContact CD2-CE 3.68Å; F109-M614 HydrophobicContact CE2-CE 4.44Å; F109-M614 HydrophobicContact CG-CE 3.49Å; F109-M614 VanDerWaalsContact CG-CE 3.49Å; I148-M614 HydrophobicContact CD1-SD 4.41Å; L150-M614 HydrophobicContact CD1-SD 4.07Å; I611-M614 HydrophobicContact CG2-CE 4.25Å; I611-M614 HydrophobicContact CG2-CG 4.3Å; I611-M614 HydrophobicContact CG2-SD 4.15Å; R612-M614 VanDerWaalsContact C-N 3.32Å; M614-P622 HydrophobicContact CB-CG 3.78Å; M614-P622 HydrophobicContact SD-CG 4.33Å; M614-L645 HydrophobicContact CE-CD2 3.53Å; M614-L645 HydrophobicContact CG-CD2 4Å; M614-L645 HydrophobicContact SD-CD2 4.16Å
615	A	77.3	Confident	80.8	Confident	24 Å²	24	34.4 Å²	34.4	20%	0.198	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	176.2	0	0	0	0	0	110.2	L620 V644	A615-L620 WeakPolarHBondContact CA-O 3.4Å; A615-V644 PolarHBondContact N-O 2.89Å; A615-V644 PolarHBondContact O-N 2.85Å
616	D	77.3	Confident	80.7	Confident	14 Å²	14	33.3 Å²	33.3	8%	0.075	18%	0.178	C	C	.	.			trans	-86.8	-172	165.7	63.3	21.1	0	0	0	111.3	D618 G619 L620 R641 F643	D616-D618 PolarHBondContact O-N 3.32Å; D616-D618 WeakPolarHBondContact OD1-CA 3.4Å; D616-D618 PolarHBondContact OD1-N 2.81Å; D616-G619 PolarHBondContact O-N 2.69Å; D616-G619 PolarHBondContact OD1-N 2.8Å; D616-L620 PolarHBondContact N-O 3.31Å; D616-L620 WeakPolarHBondContact OD1-CB 3.31Å; D616-L620 PolarHBondContact OD1-N 2.88Å; D616-R641 HydrophobicContact CB-CB 4.5Å; D616-R641 IonicContact OD1-NH1 2.96Å; D616-R641 WeakPolarHBondContact OD2-CD 3.47Å; D616-R641 IonicContact OD2-CZ 2.77Å; D616-R641 IonicContact OD2-NE 2.78Å; D616-R641 IonicContact OD2-NH1 2.76Å; D616-R641 PolarHBondContact OD2-NH1 2.82Å; D616-F643 HydrophobicContact CB-CD1 3.86Å; D616-F643 HydrophobicContact CB-CE1 3.82Å
617	Q	73.3	Confident	80.4	Confident	186 Å²	186	33 Å²	33	87%	0.869	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	179.1	-62.3	177.7	1.4	0	0	113.6
618	D	69	Low	79.7	Confident	89 Å²	89	36 Å²	36	48%	0.476	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	4.8	179.7	-60.5	-37.3	0	0	0	112.2	D616 L620 R641	D616-D618 PolarHBondContact O-N 3.32Å; D616-D618 WeakPolarHBondContact OD1-CA 3.4Å; D616-D618 PolarHBondContact OD1-N 2.81Å; D618-L620 VanDerWaalsContact C-N 3.28Å; D618-L620 HydrophobicContact CB-CD1 4.05Å; D618-L620 HydrophobicContact CB-CG 3.94Å; D618-L620 PolarHBondContact O-N 3.09Å; D618-R641 IonicContact OD2-CZ 3.91Å; D618-R641 VanDerWaalsContact OD2-CZ 3.22Å; D618-R641 IonicContact OD2-NH1 2.99Å; D618-R641 PolarHBondContact OD2-NH1 2.86Å; D618-R641 IonicContact OD2-NH2 3.99Å; D618-R641 PolarHBondContact OD2-NH2 3.38Å
619	G	70.9	Confident	78.6	Confident	52 Å²	52	39.8 Å²	39.8	54%	0.536	22%	0.217	S	C	.	.	S	Bend	trans	75.2	14.1	-175.5	0	0	0	0	0	114	D616	D616-G619 PolarHBondContact O-N 2.69Å; D616-G619 PolarHBondContact OD1-N 2.8Å
620	L	72.5	Confident	77.4	Confident	11 Å²	11	45.1 Å²	45.1	6%	0.058	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-89	139	-176.1	-55.6	176.3	0	0	0	111.3	Y123 A126 A615 D616 D618	Y123-L620 HydrophobicContact CD1-CD1 3.62Å; Y123-L620 HydrophobicContact CE1-CB 3.87Å; Y123-L620 HydrophobicContact CE1-CD1 3.36Å; Y123-L620 HydrophobicContact CE1-CG 4.12Å; Y123-L620 HydrophobicContact CE2-CB 4.35Å; A126-L620 HydrophobicContact CB-CD1 4Å; A126-L620 HydrophobicContact CB-CD2 4.01Å; A615-L620 WeakPolarHBondContact CA-O 3.4Å; D616-L620 PolarHBondContact N-O 3.31Å; D616-L620 WeakPolarHBondContact OD1-CB 3.31Å; D616-L620 PolarHBondContact OD1-N 2.88Å; D618-L620 VanDerWaalsContact C-N 3.28Å; D618-L620 HydrophobicContact CB-CD1 4.05Å; D618-L620 HydrophobicContact CB-CG 3.94Å; D618-L620 PolarHBondContact O-N 3.09Å
621	K	78.6	Confident	76	Confident	79 Å²	79	46.4 Å²	46.4	34%	0.343	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-77.8	147.4	179.8	-62.2	174.3	-173.2	168.2	0	110.8	Y123 I611 I623	Y123-K621 PolarHBondContact OH-O 3.24Å; I611-K621 WeakPolarHBondContact O-CB 3.33Å; K621-I623 PolarHBondContact O-N 3.08Å
622	P	83.4	Confident	74.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-57.4	133.3	171	-15.1	24.5	0	0	0	111.1	L135 S610 I611 M614 F643	L135-P622 HydrophobicContact CD1-CB 3.86Å; L135-P622 HydrophobicContact CD2-CB 4.37Å; L135-P622 HydrophobicContact CG-CB 4.29Å; S610-P622 WeakPolarHBondContact CA-O 3.19Å; I611-P622 HydrophobicContact CB-CB 4.3Å; I611-P622 HydrophobicContact CB-CG 4.14Å; I611-P622 HydrophobicContact CD1-CB 4.02Å; I611-P622 HydrophobicContact CD1-CG 4.32Å; I611-P622 HydrophobicContact CG1-CB 4.3Å; I611-P622 PolarHBondContact N-O 2.94Å; I611-P622 VanDerWaalsContact N-O 3.14Å; M614-P622 HydrophobicContact CB-CG 3.78Å; M614-P622 HydrophobicContact SD-CG 4.33Å; P622-F643 HydrophobicContact CB-CD1 4.42Å; P622-F643 HydrophobicContact CB-CE1 4.07Å; P622-F643 HydrophobicContact CB-CE2 4.49Å; P622-F643 HydrophobicContact CB-CZ 4.11Å; P622-F643 HydrophobicContact CG-CD1 3.66Å; P622-F643 HydrophobicContact CG-CD2 4.5Å; P622-F643 HydrophobicContact CG-CE1 3.76Å; P622-F643 HydrophobicContact CG-CG 4.05Å; P622-F643 HydrophobicContact CG-CZ 4.24Å
623	I	84.4	Confident	73	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135	174.8	-68.6	-171.9	0	0	0	110	A119 Y123 G134 L135 M609 K621 D625	A119-I623 HydrophobicContact CB-CD1 4.31Å; A119-I623 WeakPolarHBondContact O-CD1 3.4Å; Y123-I623 HydrophobicContact CD2-CD1 3.32Å; Y123-I623 HydrophobicContact CD2-CG1 4.27Å; Y123-I623 HydrophobicContact CE2-CB 4.4Å; Y123-I623 HydrophobicContact CE2-CD1 3.14Å; Y123-I623 HydrophobicContact CE2-CG1 3.58Å; G134-I623 WeakPolarHBondContact CA-O 3.33Å; L135-I623 WeakPolarHBondContact CG-O 3.47Å; L135-I623 PolarHBondContact N-O 2.94Å; M609-I623 WeakPolarHBondContact O-CA 3.11Å; K621-I623 PolarHBondContact O-N 3.08Å; I623-D625 WeakPolarHBondContact CG2-OD2 3.47Å
624	I	89.8	Confident	71.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.3	174.7	-60.6	160.2	0	0	0	106.8	I97 F100 L135 V136 F146 V603 S608 M609	I97-I624 HydrophobicContact CD1-CG2 3.5Å; F100-I624 HydrophobicContact CB-CD1 4.03Å; F100-I624 HydrophobicContact CD1-CD1 3.71Å; F100-I624 HydrophobicContact CE1-CD1 4.47Å; F100-I624 HydrophobicContact CG-CD1 4.06Å; L135-I624 HydrophobicContact CB-CG1 4.08Å; L135-I624 HydrophobicContact CD1-CD1 4.21Å; L135-I624 HydrophobicContact CD1-CG1 3.71Å; L135-I624 HydrophobicContact CG-CG1 4.21Å; V136-I624 HydrophobicContact CG2-CG2 3.79Å; F146-I624 HydrophobicContact CE2-CD1 3.71Å; F146-I624 HydrophobicContact CE2-CG1 3.83Å; F146-I624 HydrophobicContact CE2-CG2 4.11Å; F146-I624 HydrophobicContact CZ-CD1 3.85Å; F146-I624 HydrophobicContact CZ-CG1 4.19Å; V603-I624 HydrophobicContact CG1-CG2 4.43Å; S608-I624 WeakPolarHBondContact CA-O 3.48Å; M609-I624 HydrophobicContact CB-CB 4.08Å; M609-I624 HydrophobicContact CB-CD1 4.47Å; M609-I624 HydrophobicContact CG-CD1 4.21Å; M609-I624 PolarHBondContact N-O 2.78Å; M609-I624 PolarHBondContact O-N 2.97Å; M609-I624 HydrophobicContact SD-CD1 3.71Å
625	D	88.9	Confident	70.2	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.064	31%	0.312	C	S	.	.			trans	-129.8	162	-177.7	-83.7	-61.5	0	0	0	110.3	K116 W120 S608 I623 P627	K116-D625 WeakPolarHBondContact CE-OD1 3.29Å; K116-D625 IonicContact NZ-OD1 3.98Å; W120-D625 VanDerWaalsContact CZ2-OD2 3.31Å; W120-D625 WeakPolarHBondContact CZ2-OD2 3.45Å; W120-D625 PolarHBondContact NE1-OD2 2.89Å; S608-D625 VanDerWaalsContact CB-OD1 3.24Å; S608-D625 WeakPolarHBondContact CB-OD1 3.48Å; S608-D625 PolarHBondContact OG-OD1 2.76Å; I623-D625 WeakPolarHBondContact CG2-OD2 3.47Å; D625-P627 WeakPolarHBondContact O-CD 3.39Å
626	K	90	Very high	68.1	Low	19 Å²	19	62.3 Å²	62.3	8%	0.083	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-83.4	116.1	162.1	-169.1	65.6	177.7	174.1	0	109.5	K93 A95 E144 P605	K93-K626 WeakPolarHBondContact O-CE 3.26Å; K93-K626 PolarHBondContact O-NZ 2.89Å; A95-K626 PolarHBondContact O-NZ 2.75Å; E144-K626 WeakPolarHBondContact OE1-CE 3.32Å; E144-K626 IonicContact OE1-NZ 3.5Å; E144-K626 PolarHBondContact OE1-NZ 2.73Å; E144-K626 IonicContact OE2-NZ 2.82Å; E144-K626 PolarHBondContact OE2-NZ 2.75Å; P605-K626 HydrophobicContact CG-CB 4.44Å; P605-K626 HydrophobicContact CG-CG 4.2Å
627	P	85.1	Confident	66.7	Low	25 Å²	25	63.3 Å²	63.3	16%	0.162	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-61.8	152.6	175.9	-21.1	33.8	0	0	0	112	V136 E144 D625	V136-P627 HydrophobicContact CB-CG 4.5Å; V136-P627 HydrophobicContact CG1-CG 3.85Å; E144-P627 HydrophobicContact CG-CG 4.24Å; D625-P627 WeakPolarHBondContact O-CD 3.39Å
628	S	76.8	Confident	65.4	Low	64 Å²	64	56 Å²	56	45%	0.448	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-81.8	155.7	169.8	51.3	0	0	0	0	111.1	D630 S631	S628-D630 PolarHBondContact O-N 3.35Å; S628-S631 PolarHBondContact N-OG 2.74Å; S628-S631 WeakPolarHBondContact O-CB 3.43Å; S628-S631 PolarHBondContact O-N 2.79Å; S628-S631 VanDerWaalsContact O-N 3.16Å; S628-S631 PolarHBondContact O-OG 2.96Å; S628-S631 PolarHBondContact OG-OG 2.87Å; S628-S631 VanDerWaalsContact OG-OG 3.08Å
629	E	65.8	Low	64.4	Low	79 Å²	79	57.7 Å²	57.7	37%	0.369	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.7	174.4	-92.4	-79.7	123.3	0	0	113	K93 R457 S631	K93-E629 IonicContact NZ-OE1 2.76Å; K93-E629 PolarHBondContact NZ-OE1 3.32Å; R457-E629 IonicContact NE-OE2 3.31Å; R457-E629 PolarHBondContact NE-OE2 3.01Å; R457-E629 IonicContact NH2-OE2 2.61Å; E629-S631 VanDerWaalsContact C-N 3.33Å; E629-S631 PolarHBondContact O-N 3.44Å
630	D	61.1	Low	64	Low	114 Å²	114	59.9 Å²	59.9	61%	0.61	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	10.4	-179.2	-54.8	-41.7	0	0	0	113.9	R457 S628	R457-D630 IonicContact NH2-OD1 2.68Å; S628-D630 PolarHBondContact O-N 3.35Å
631	S	54.8	Low	63.7	Low	29 Å²	29	62 Å²	62	20%	0.203	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-63.9	130	178.1	-58.9	0	0	0	0	110.1	S628 E629	S628-S631 PolarHBondContact N-OG 2.74Å; S628-S631 WeakPolarHBondContact O-CB 3.43Å; S628-S631 PolarHBondContact O-N 2.79Å; S628-S631 VanDerWaalsContact O-N 3.16Å; S628-S631 PolarHBondContact O-OG 2.96Å; S628-S631 PolarHBondContact OG-OG 2.87Å; S628-S631 VanDerWaalsContact OG-OG 3.08Å; E629-S631 VanDerWaalsContact C-N 3.33Å; E629-S631 PolarHBondContact O-N 3.44Å
632	P	45	Very low	63.2	Low	44 Å²	44	60.1 Å²	60.1	29%	0.286	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.9	152.6	-178.6	12.2	-18.3	0	0	0	112.4	E131 M636 L637	E131-P632 WeakPolarHBondContact OE2-CD 3.03Å; P632-M636 HydrophobicContact CB-CB 4.28Å; P632-L637 HydrophobicContact CG-CD2 4.34Å
633	P	46.5	Very low	62.7	Low	81 Å²	81	60.2 Å²	60.2	53%	0.526	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-56.3	152.7	176.9	-22.1	32.1	0	0	0	112.5	E635 M636	P633-E635 PolarHBondContact O-N 3.19Å; P633-M636 PolarHBondContact O-N 2.79Å
634	L	43.9	Very low	61.9	Low	65 Å²	65	63.9 Å²	63.9	34%	0.34	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-45.6	-30.8	177.9	-87.8	157.5	0	0	0	114.5	M636	L634-M636 VanDerWaalsContact C-N 3.28Å; L634-M636 PolarHBondContact O-N 3.23Å
635	E	39.6	Very low	60.8	Low	190 Å²	190	65.1 Å²	65.1	89%	0.888	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-73.1	-14.7	-176.8	-64.4	178.2	176	0	0	114	P633	P633-E635 PolarHBondContact O-N 3.19Å
636	M	34.6	Very low	59	Low	152 Å²	152	67.3 Å²	67.3	75%	0.749	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-102.1	5.2	-179.2	-63.7	-158.7	74.4	0	0	114.1	P632 P633 L634	P632-M636 HydrophobicContact CB-CB 4.28Å; P633-M636 PolarHBondContact O-N 2.79Å; L634-M636 VanDerWaalsContact C-N 3.28Å; L634-M636 PolarHBondContact O-N 3.23Å
637	L	46.5	Very low	56.6	Low	35 Å²	35	71.7 Å²	71.7	18%	0.183	41%	0.414	C	S	.	.	S	Bend	trans	-109	140.6	-173.4	-64.9	167	0	0	0	111.5	N132 P632	N132-L637 WeakPolarHBondContact OD1-CD2 3.35Å; P632-L637 HydrophobicContact CG-CD2 4.34Å
638	G	45.5	Very low	54.1	Low	34 Å²	34	77.2 Å²	77.2	35%	0.351	44%	0.441	S	S	.	.			trans	-63.2	175.4	-178.6	0	0	0	0	0	114.9
639	P	48.6	Very low	52.2	Low	124 Å²	124	81.1 Å²	81.1	81%	0.805	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-58.1	144.8	-173.4	21.4	-31.2	0	0	0	113.1
640	R	61.9	Low	50.5	Low	97 Å²	97	83 Å²	83	37%	0.366	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-66.5	144.3	177.7	-72.2	-177.5	174.1	-177.8	-7.4	110.5	D88 T147 H149	D88-R640 IonicContact OD1-NH1 2.83Å; D88-R640 IonicContact OD2-NH1 3.56Å; T147-R640 VanDerWaalsContact OG1-CZ 3.23Å; T147-R640 PolarHBondContact OG1-NH1 2.81Å; T147-R640 PolarHBondContact OG1-NH2 2.87Å; H149-R640 WeakPolarHBondContact NE2-CD 3.21Å
641	R	67.6	Low	49	Very low	57 Å²	57	82.4 Å²	82.4	22%	0.215	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-88.5	134.4	178.2	-62.4	-173	170.8	-130.4	-15.3	110.6	D616 D618 F643	D616-R641 HydrophobicContact CB-CB 4.5Å; D616-R641 IonicContact OD1-NH1 2.96Å; D616-R641 WeakPolarHBondContact OD2-CD 3.47Å; D616-R641 IonicContact OD2-CZ 2.77Å; D616-R641 IonicContact OD2-NE 2.78Å; D616-R641 IonicContact OD2-NH1 2.76Å; D616-R641 PolarHBondContact OD2-NH1 2.82Å; D618-R641 IonicContact OD2-CZ 3.91Å; D618-R641 VanDerWaalsContact OD2-CZ 3.22Å; D618-R641 IonicContact OD2-NH1 2.99Å; D618-R641 PolarHBondContact OD2-NH1 2.86Å; D618-R641 IonicContact OD2-NH2 3.99Å; D618-R641 PolarHBondContact OD2-NH2 3.38Å; R641-F643 HydrophobicContact CB-CE2 4.31Å; R641-F643 HydrophobicContact CB-CZ 4.29Å
642	T	66.8	Low	48.2	Very low	39 Å²	39	85.9 Å²	85.9	24%	0.239	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.9	172.5	-51.6	0	0	0	0	108.8	E84 H149	E84-T642 HydrophobicContact CG-CG2 4.06Å; E84-T642 PolarHBondContact OE1-OG1 2.81Å; H149-T642 HydrophobicContact CB-CG2 4.28Å
643	F	74.1	Confident	47.8	Very low	2 Å²	2	89.5 Å²	89.5	1%	0.009	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.5	179.8	-62.8	-86.5	0	0	0	110.2	L135 I148 H149 L150 T151 D616 P622 R641	L135-F643 HydrophobicContact CD2-CD2 4.45Å; L135-F643 HydrophobicContact CD2-CE2 3.57Å; L135-F643 HydrophobicContact CD2-CZ 4.06Å; I148-F643 HydrophobicContact CD1-CD2 4.49Å; I148-F643 HydrophobicContact CG1-CD2 4.03Å; H149-F643 PolarHBondContact O-N 2.94Å; L150-F643 WeakPolarHBondContact CA-O 3.43Å; L150-F643 HydrophobicContact CD1-CB 4.38Å; T151-F643 PolarHBondContact N-O 2.75Å; D616-F643 HydrophobicContact CB-CD1 3.86Å; D616-F643 HydrophobicContact CB-CE1 3.82Å; P622-F643 HydrophobicContact CB-CD1 4.42Å; P622-F643 HydrophobicContact CB-CE1 4.07Å; P622-F643 HydrophobicContact CB-CE2 4.49Å; P622-F643 HydrophobicContact CB-CZ 4.11Å; P622-F643 HydrophobicContact CG-CD1 3.66Å; P622-F643 HydrophobicContact CG-CD2 4.5Å; P622-F643 HydrophobicContact CG-CE1 3.76Å; P622-F643 HydrophobicContact CG-CG 4.05Å; P622-F643 HydrophobicContact CG-CZ 4.24Å; R641-F643 HydrophobicContact CB-CE2 4.31Å; R641-F643 HydrophobicContact CB-CZ 4.29Å
644	V	68.4	Low	47.3	Very low	79 Å²	79	96.1 Å²	96.1	48%	0.479	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.9	174.3	-172.6	0	0	0	0	108.1	A615 S646	A615-V644 PolarHBondContact N-O 2.89Å; A615-V644 PolarHBondContact O-N 2.85Å; V644-S646 PolarHBondContact O-N 2.77Å
645	L	65.3	Low	46.7	Very low	26 Å²	26	99.2 Å²	99.2	14%	0.136	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.3	123.1	168.5	-64.1	176.8	0	0	0	107.7	A104 F109 L150 M614 A647	A104-L645 HydrophobicContact CB-CD1 3.65Å; F109-L645 HydrophobicContact CD2-CD2 4.13Å; F109-L645 HydrophobicContact CE1-CD2 4.34Å; F109-L645 HydrophobicContact CE2-CD2 3.66Å; F109-L645 HydrophobicContact CZ-CD2 3.77Å; L150-L645 HydrophobicContact CD1-CD2 3.79Å; L150-L645 HydrophobicContact CD1-CG 3.88Å; L150-L645 HydrophobicContact CD2-CD1 4.36Å; L150-L645 HydrophobicContact CD2-CD2 4.13Å; L150-L645 HydrophobicContact CD2-CG 4.25Å; L150-L645 HydrophobicContact CG-CD2 4.46Å; L150-L645 HydrophobicContact CG-CG 4.32Å; M614-L645 HydrophobicContact CE-CD2 3.53Å; M614-L645 HydrophobicContact CG-CD2 4Å; M614-L645 HydrophobicContact SD-CD2 4.16Å; L645-A647 PolarHBondContact O-N 3.41Å; L645-A647 VanDerWaalsContact O-N 3.09Å
646	S	51.7	Low	46.2	Very low	58 Å²	58	94.8 Å²	94.8	41%	0.406	55%	0.548	S	S	.	.			trans	-63.7	118	175	-70.1	0	0	0	0	108.9	G613 V644 L648	G613-S646 PolarHBondContact O-N 2.52Å; G613-S646 VanDerWaalsContact O-N 3.08Å; V644-S646 PolarHBondContact O-N 2.77Å; S646-L648 PolarHBondContact O-N 3.07Å
647	A	38.7	Very low	46.2	Very low	112 Å²	112	92.8 Å²	92.8	93%	0.926	55%	0.549	S	S	*	.	S	Bend	trans	-65.3	1.1	172.1	0	0	0	0	0	113.3	L645	L645-A647 PolarHBondContact O-N 3.41Å; L645-A647 VanDerWaalsContact O-N 3.09Å
648	L	33.6	Very low	45.3	Very low	141 Å²	141	98.4 Å²	98.4	74%	0.738	58%	0.579	S	S	*	*	S	Bend	trans	-106.9	113.6	170.6	-81.1	141.8	0	0	0	107.9	S646	S646-L648 PolarHBondContact O-N 3.07Å
649	Q	35.5	Very low	44.6	Very low	145 Å²	145	101.9 Å²	101.9	68%	0.678	59%	0.594	S	S	*	*			trans	-37.7	146.4	154.8	-73.8	172	-44	0	0	109.4	S651	Q649-S651 PolarHBondContact O-N 3.32Å
650	P	31.1	Very low	43.6	Very low	120 Å²	120	105.3 Å²	105.3	78%	0.779	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-50.3	121.2	156.9	24.2	-30.8	0	0	0	106.5
651	S	29.7	Very low	42.2	Very low	100 Å²	100	110.7 Å²	110.7	70%	0.699	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-52.1	133.1	177.8	-44.7	0	0	0	0	107.8	Q649 T653	Q649-S651 PolarHBondContact O-N 3.32Å; S651-T653 PolarHBondContact O-N 2.86Å
652	P	37.7	Very low	40.2	Very low	103 Å²	103	115.6 Å²	115.6	67%	0.669	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-47.6	134.7	167.4	-22.4	30	0	0	0	107.2	R654	P652-R654 VanDerWaalsContact C-N 3.28Å; P652-R654 PolarHBondContact O-N 3.2Å
653	T	35.8	Very low	38.9	Very low	119 Å²	119	119.3 Å²	119.3	73%	0.73	67%	0.674	S	S	*	*			trans	-58.9	105.8	167.2	-2.4	0	0	0	0	105.1	S651	S651-T653 PolarHBondContact O-N 2.86Å
654	R	37.8	Very low	37.2	Very low	221 Å²	221	123.4 Å²	123.4	83%	0.834	70%	0.696	S	S	*	*			trans	-51.3	138.8	161.4	-83.6	-173.9	173.9	-173	-1.1	105.8	P652 S656	P652-R654 VanDerWaalsContact C-N 3.28Å; P652-R654 PolarHBondContact O-N 3.2Å; R654-S656 VanDerWaalsContact C-N 3.29Å; R654-S656 PolarHBondContact O-N 3.21Å
655	P	30.8	Very low	35.9	Very low	130 Å²	130	130.2 Å²	130.2	84%	0.844	71%	0.713	S	S	*	*			trans	-59.9	98.4	178.7	24.8	-31.3	0	0	0	107.5	S657	P655-S657 PolarHBondContact O-N 3.46Å
656	S	29.5	Very low	34.8	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	73%	0.73	S	S	*	*			trans	-82.2	106.8	169.8	52.1	0	0	0	0	105.9	R654 N658	R654-S656 VanDerWaalsContact C-N 3.29Å; R654-S656 PolarHBondContact O-N 3.21Å; S656-N658 PolarHBondContact O-N 2.8Å
657	S	32.9	Very low	34.6	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	72%	0.717	S	S	*	*			trans	-63.1	77.8	160.4	55	0	0	0	0	108.4	P655	P655-S657 PolarHBondContact O-N 3.46Å
658	N	29.4	Very low	34.7	Very low	152 Å²	152	128 Å²	128	81%	0.813	70%	0.696	S	S	*	*			trans	-150.9	93.3	160.4	-102.8	-15	0	0	0	110.6	S656 Q660	S656-N658 PolarHBondContact O-N 2.8Å; N658-Q660 PolarHBondContact O-N 2.96Å
659	T	30.9	Very low	35.4	Very low	107 Å²	107	123.3 Å²	123.3	66%	0.656	67%	0.673	S	S	*	*			trans	-67.3	103.4	169.9	-25.8	0	0	0	0	108.8
660	Q	26.8	Very low	36.3	Very low	197 Å²	197	119.4 Å²	119.4	92%	0.921	66%	0.657	S	S	*	*			trans	-123.5	137.2	156	-85.2	-173.4	-18.3	0	0	110.2	N658	N658-Q660 PolarHBondContact O-N 2.96Å
661	W	32	Very low	37.6	Very low	210 Å²	210	117.1 Å²	117.1	80%	0.795	64%	0.641	S	S	*	*			trans	-89.5	166.6	-154.7	-83.1	36.3	0	0	0	115.5
662	L	26.2	Very low	39.1	Very low	160 Å²	160	113.7 Å²	113.7	84%	0.838	62%	0.615	S	S	*	*			trans	108.5	144	156.1	-60.2	168.4	0	0	0	118.1
663	P	39.3	Very low	40	Very low	117 Å²	117	109.4 Å²	109.4	76%	0.76	59%	0.587	S	S	*	*			cis	-110.6	145.3	-33.9	35	-21.8	0	0	0	112.6
664	D	37.5	Very low	42.1	Very low	88 Å²	88	105.4 Å²	105.4	47%	0.471	56%	0.56	S	S	.	*			trans	-84.1	132	178.8	-71.1	-35.9	0	0	0	111.3
665	R	42.3	Very low	44.5	Very low	221 Å²	221	95.4 Å²	95.4	83%	0.834	52%	0.522	S	S	*	.			trans	-108.8	127.3	164.9	-75	-169.3	179.4	-158.7	0.4	108.5
666	V	42.6	Very low	47.1	Very low	83 Å²	83	90.8 Å²	90.8	50%	0.503	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-93.1	130.8	-170.4	-177	0	0	0	0	109.7	W803	V666-W803 HydrophobicContact CG1-CB 4.19Å; V666-W803 HydrophobicContact CG2-CB 3.58Å; V666-W803 VanDerWaalsContact CG2-CD1 3.41Å; V666-W803 HydrophobicContact CG2-CG 3.84Å
667	T	46.3	Very low	49.9	Very low	21 Å²	21	86.7 Å²	86.7	13%	0.129	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-95	125.5	167.6	51.5	0	0	0	0	109.1	V669 R801	T667-V669 WeakPolarHBondContact O-CG2 3.48Å; T667-V669 PolarHBondContact O-N 2.65Å; T667-R801 PolarHBondContact N-O 3.48Å; T667-R801 PolarHBondContact OG1-O 3.15Å
668	G	41.6	Very low	52.3	Low	47 Å²	47	86.1 Å²	86.1	49%	0.485	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-65.8	129.7	174.6	0	0	0	0	0	110.9	Y875	G668-Y875 PolarHBondContact O-OH 3.45Å
669	V	48.2	Very low	54.8	Low	42 Å²	42	79.1 Å²	79.1	26%	0.255	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-101.1	132.8	-166.8	-173	0	0	0	0	110.7	T667 Y729 V802 F812	T667-V669 WeakPolarHBondContact O-CG2 3.48Å; T667-V669 PolarHBondContact O-N 2.65Å; V669-Y729 HydrophobicContact CG1-CD1 4.39Å; V669-Y729 HydrophobicContact CG1-CE1 3.41Å; V669-Y729 VanDerWaalsContact CG1-CE1 3.41Å; V669-V802 HydrophobicContact CG2-CG2 4.18Å; V669-F812 HydrophobicContact CB-CE1 4.25Å; V669-F812 HydrophobicContact CG1-CD1 4.44Å; V669-F812 HydrophobicContact CG1-CE1 3.42Å; V669-F812 VanDerWaalsContact CG1-CE1 3.42Å; V669-F812 HydrophobicContact CG1-CZ 3.64Å; V669-F812 HydrophobicContact CG2-CE1 3.85Å; V669-F812 HydrophobicContact CG2-CZ 4.41Å
670	D	54.3	Low	56.7	Low	62 Å²	62	78.7 Å²	78.7	33%	0.332	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-94.1	153	165.6	-121.5	-35.3	0	0	0	109.3	Y729	D670-Y729 VanDerWaalsContact O-CE1 3.29Å; D670-Y729 WeakPolarHBondContact O-CE1 3.16Å
671	T	59	Low	59	Low	73 Å²	73	75.1 Å²	75.1	45%	0.448	39%	0.391	S	S	.	.	S	Bend	trans	-94.1	149.3	-171.9	51.7	0	0	0	0	114.1
672	D	59.5	Low	61	Low	28 Å²	28	70.2 Å²	70.2	15%	0.15	38%	0.375	C	S	.	.	S	Bend	trans	60.1	143.6	-177.5	-65.6	-46.1	0	0	0	113.7	H674 N689 N691 G727 T728	D672-H674 PolarHBondContact O-N 2.92Å; D672-N689 HydrophobicContact CB-CB 4.32Å; D672-N691 VanDerWaalsContact CB-OD1 3.27Å; D672-N691 WeakPolarHBondContact CB-OD1 3.44Å; D672-N691 VanDerWaalsContact CG-OD1 3.25Å; D672-N691 PolarHBondContact OD2-OD1 2.98Å; D672-G727 VanDerWaalsContact OD1-CA 3.32Å; D672-G727 WeakPolarHBondContact OD1-CA 3.45Å; D672-T728 CarbonylContact C-O 3.59Å; D672-T728 WeakPolarHBondContact CA-O 3.34Å; D672-T728 PolarHBondContact N-O 3.32Å; D672-T728 PolarHBondContact OD1-N 2.93Å; D672-T728 PolarHBondContact OD1-OG1 3.49Å; D672-T728 VanDerWaalsContact OD1-OG1 3.11Å
673	P	57.6	Low	63.6	Low	12 Å²	12	71.6 Å²	71.6	8%	0.078	38%	0.377	C	S	.	.			trans	-62.9	107.4	-179.9	27.1	-34	0	0	0	109.3	N689 I690 L714 T728 F730	P673-N689 WeakPolarHBondContact O-CA 3.49Å; P673-I690 WeakPolarHBondContact CG-O 3.39Å; P673-I690 PolarHBondContact O-N 3.36Å; P673-L714 HydrophobicContact CG-CD2 3.86Å; P673-T728 VanDerWaalsContact CD-O 3.3Å; P673-T728 WeakPolarHBondContact CD-O 3.31Å; P673-T728 VanDerWaalsContact CD-OG1 3.28Å; P673-T728 WeakPolarHBondContact CD-OG1 3.48Å; P673-F730 HydrophobicContact CB-CD2 4.31Å; P673-F730 HydrophobicContact CB-CE2 3.84Å; P673-F730 HydrophobicContact CB-CZ 4.24Å
674	H	79.4	Confident	65.8	Low	36 Å²	36	67.8 Å²	67.8	17%	0.167	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.6	176.1	69.7	-77.4	0	0	0	109.7	D672 N689 K873	D672-H674 PolarHBondContact O-N 2.92Å; H674-N689 VanDerWaalsContact CA-OD1 3.31Å; H674-N689 WeakPolarHBondContact CA-OD1 3.35Å; H674-N689 WeakPolarHBondContact CB-OD1 3.39Å; H674-K873 PolarHBondContact NE2-O 2.92Å
675	F	87.8	Confident	68.3	Low	10 Å²	10	63.8 Å²	63.8	4%	0.044	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.4	176.4	-61.2	-77.1	0	0	0	109.2	C687 F688 I690 L700 F730 L830 L831	F675-C687 WeakPolarHBondContact O-CA 3.46Å; F675-F688 HydrophobicContact CB-CD1 4.15Å; F675-F688 HydrophobicContact CB-CE1 3.66Å; F675-F688 HydrophobicContact CB-CE2 4.3Å; F675-F688 HydrophobicContact CB-CZ 3.76Å; F675-F688 HydrophobicContact CD2-CD2 4.05Å; F675-F688 HydrophobicContact CD2-CE1 4.41Å; F675-F688 AromaticContact CD2-CE2 3.51Å; F675-F688 HydrophobicContact CD2-CE2 3.51Å; F675-F688 AromaticContact CD2-CZ 3.72Å; F675-F688 HydrophobicContact CD2-CZ 3.72Å; F675-F688 HydrophobicContact CE2-CE2 4.18Å; F675-F688 HydrophobicContact CG-CE1 4.32Å; F675-F688 HydrophobicContact CG-CE2 4.18Å; F675-F688 AromaticContact CG-CZ 3.9Å; F675-F688 HydrophobicContact CG-CZ 3.9Å; F675-F688 PolarHBondContact N-O 3.03Å; F675-F688 PolarHBondContact O-N 3.49Å; F675-I690 HydrophobicContact CD2-CG1 4.19Å; F675-I690 HydrophobicContact CE2-CB 4.15Å; F675-I690 HydrophobicContact CE2-CG1 3.59Å; F675-L700 HydrophobicContact CE1-CD2 4.02Å; F675-L700 HydrophobicContact CZ-CD2 4.05Å; F675-F730 HydrophobicContact CE1-CE2 4.06Å; F675-F730 HydrophobicContact CE1-CZ 4.04Å; F675-F730 HydrophobicContact CZ-CE2 4.1Å; F675-F730 AromaticContact CZ-CZ 3.78Å; F675-F730 HydrophobicContact CZ-CZ 3.78Å; F675-L830 HydrophobicContact CZ-CD1 4.48Å; F675-L831 HydrophobicContact CB-CD2 4.03Å; F675-L831 HydrophobicContact CD1-CD1 3.9Å; F675-L831 HydrophobicContact CD1-CD2 3.63Å; F675-L831 HydrophobicContact CD1-CG 3.84Å; F675-L831 HydrophobicContact CE1-CD1 4.11Å; F675-L831 HydrophobicContact CE1-CD2 4.46Å; F675-L831 HydrophobicContact CE1-CG 4.19Å; F675-L831 HydrophobicContact CG-CD2 4.13Å
676	I	86.7	Confident	70.6	Confident	33 Å²	33	53.2 Å²	53.2	17%	0.169	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.4	176.4	-54.1	176.9	0	0	0	107.7	A685 Q872 D874 V885	I676-A685 HydrophobicContact CG2-CB 4.42Å; I676-Q872 HydrophobicContact CD1-CB 4.04Å; I676-Q872 HydrophobicContact CG1-CB 4.44Å; I676-D874 HydrophobicContact CD1-CB 3.91Å; I676-V885 HydrophobicContact CG2-CG1 4.18Å
677	I	88.2	Confident	72.9	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.5	176.1	-57.9	159.1	0	0	0	107.8	V679 A685 L686 F688 F834 L897	I677-V679 HydrophobicContact CG2-CG2 4.39Å; I677-A685 WeakPolarHBondContact O-CA 3.37Å; I677-L686 HydrophobicContact CB-CB 4.33Å; I677-L686 PolarHBondContact N-O 3.33Å; I677-L686 PolarHBondContact O-N 2.88Å; I677-F688 HydrophobicContact CD1-CD1 4.31Å; I677-F688 HydrophobicContact CD1-CE1 3.7Å; I677-F688 HydrophobicContact CG1-CE1 4.47Å; I677-F834 HydrophobicContact CD1-CB 4.33Å; I677-F834 HydrophobicContact CD1-CD1 4Å; I677-F834 HydrophobicContact CD1-CD2 3.29Å; I677-F834 HydrophobicContact CD1-CE1 4.1Å; I677-F834 HydrophobicContact CD1-CE2 3.41Å; I677-F834 VanDerWaalsContact CD1-CE2 3.41Å; I677-F834 HydrophobicContact CD1-CG 3.6Å; I677-F834 HydrophobicContact CD1-CZ 3.83Å; I677-F834 HydrophobicContact CG1-CB 4.4Å; I677-F834 HydrophobicContact CG1-CD2 3.98Å; I677-F834 HydrophobicContact CG1-CG 4.19Å; I677-F834 HydrophobicContact CG2-CB 3.78Å; I677-F834 HydrophobicContact CG2-CG 4.12Å; I677-L897 HydrophobicContact CD1-CD2 4.2Å
678	H	83.2	Confident	75	Confident	99 Å²	99	48.3 Å²	48.3	46%	0.458	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.6	172	-64.8	-71.7	0	0	0	110	P680 D874	H678-P680 WeakPolarHBondContact O-CD 3.42Å; H678-D874 IonicContact NE2-OD2 2.85Å
679	V	81.8	Confident	77.2	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	85.8	175	-174.1	0	0	0	0	108.4	I677 Q681 K682 E683 D684 L686 I838 F840	I677-V679 HydrophobicContact CG2-CG2 4.39Å; V679-Q681 PolarHBondContact O-N 3.4Å; V679-Q681 VanDerWaalsContact O-N 3.12Å; V679-K682 HydrophobicContact CG1-CB 4.12Å; V679-K682 HydrophobicContact CG1-CG 4.03Å; V679-K682 PolarHBondContact O-N 3.18Å; V679-E683 PolarHBondContact O-N 3.15Å; V679-D684 PolarHBondContact N-O 3.47Å; V679-L686 HydrophobicContact CG2-CD1 4.38Å; V679-L686 HydrophobicContact CG2-CG 4.37Å; V679-I838 HydrophobicContact CG1-CG2 4.45Å; V679-I838 WeakPolarHBondContact CG1-O 3.49Å; V679-I838 HydrophobicContact CG2-CG2 3.92Å; V679-F840 HydrophobicContact CB-CE1 3.99Å; V679-F840 HydrophobicContact CG1-CE1 4.14Å; V679-F840 HydrophobicContact CG2-CD1 4.39Å; V679-F840 HydrophobicContact CG2-CE1 3.85Å
680	P	69.8	Low	79	Confident	98 Å²	98	45.1 Å²	45.1	64%	0.636	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-58.4	-31.4	-170.8	-25.5	34.7	0	0	0	113.7	H678 K682 E683	H678-P680 WeakPolarHBondContact O-CD 3.42Å; P680-K682 PolarHBondContact O-N 3.27Å; P680-E683 PolarHBondContact O-N 3.23Å
681	Q	75.8	Confident	80.3	Confident	122 Å²	122	45.7 Å²	45.7	57%	0.57	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-67.1	-16.1	179.2	-55.1	84.4	0.3	0	0	113.3	V679	V679-Q681 PolarHBondContact O-N 3.4Å; V679-Q681 VanDerWaalsContact O-N 3.12Å
682	K	75.1	Confident	81.6	Confident	107 Å²	107	43.9 Å²	43.9	47%	0.465	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-115	-2.5	-179	-67.6	-70.7	-170.9	167.3	0	112.9	V679 P680 D684 F840	V679-K682 HydrophobicContact CG1-CB 4.12Å; V679-K682 HydrophobicContact CG1-CG 4.03Å; V679-K682 PolarHBondContact O-N 3.18Å; P680-K682 PolarHBondContact O-N 3.27Å; K682-D684 PolarHBondContact O-N 3.45Å; K682-D684 VanDerWaalsContact O-N 3.15Å; K682-F840 HydrophobicContact CB-CE1 4.39Å; K682-F840 WeakPolarHBondContact CE-O 3.48Å; K682-F840 HydrophobicContact CG-CE1 4.36Å; K682-F840 PolarHBondContact NZ-O 2.98Å
683	E	79.6	Confident	82.8	Confident	190 Å²	190	48.1 Å²	48.1	89%	0.888	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	33.3	-172.4	-61.2	-171.5	165.3	0	0	113.5	V679 P680	V679-E683 PolarHBondContact O-N 3.15Å; P680-E683 PolarHBondContact O-N 3.23Å
684	D	85.9	Confident	84.1	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.193	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	167.9	-176.2	-155.5	3.4	0	0	0	111	V679 K682 F840 R869 W888	V679-D684 PolarHBondContact N-O 3.47Å; K682-D684 PolarHBondContact O-N 3.45Å; K682-D684 VanDerWaalsContact O-N 3.15Å; D684-F840 HydrophobicContact CB-CZ 4.17Å; D684-R869 VanDerWaalsContact CG-NH1 3.27Å; D684-R869 IonicContact OD1-CZ 2.73Å; D684-R869 VanDerWaalsContact OD1-CZ 3.31Å; D684-R869 IonicContact OD1-NH1 2.99Å; D684-R869 PolarHBondContact OD1-NH1 2.93Å; D684-R869 IonicContact OD1-NH2 3.31Å; D684-R869 PolarHBondContact OD1-NH2 3.46Å; D684-R869 IonicContact OD2-NH1 2.96Å; D684-R869 PolarHBondContact OD2-NH1 3.38Å; D684-W888 PolarHBondContact OD2-NE1 2.84Å
685	A	88.9	Confident	84.3	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.1	-176.2	0	0	0	0	0	112.6	I676 I677 V885 C887 W888	I676-A685 HydrophobicContact CG2-CB 4.42Å; I677-A685 WeakPolarHBondContact O-CA 3.37Å; A685-V885 HydrophobicContact CB-CG1 3.98Å; A685-C887 HydrophobicContact CB-CB 3.78Å; A685-C887 VanDerWaalsContact O-CA 3.25Å; A685-C887 WeakPolarHBondContact O-CA 3.41Å; A685-C887 VanDerWaalsContact O-CB 3.24Å; A685-C887 WeakPolarHBondContact O-CB 3.5Å; A685-W888 PolarHBondContact O-N 2.89Å
686	L	91.1	Very high	84.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.2	173.2	-54.7	-179.5	0	0	0	109.1	I677 V679 F840 M858 W888 I890 L897	I677-L686 HydrophobicContact CB-CB 4.33Å; I677-L686 PolarHBondContact N-O 3.33Å; I677-L686 PolarHBondContact O-N 2.88Å; V679-L686 HydrophobicContact CG2-CD1 4.38Å; V679-L686 HydrophobicContact CG2-CG 4.37Å; L686-F840 HydrophobicContact CD1-CD1 4.08Å; L686-F840 HydrophobicContact CD1-CE1 4.22Å; L686-F840 HydrophobicContact CD2-CD1 4.18Å; L686-F840 HydrophobicContact CD2-CD2 4.34Å; L686-F840 HydrophobicContact CD2-CE1 3.84Å; L686-F840 HydrophobicContact CD2-CE2 4.01Å; L686-F840 HydrophobicContact CD2-CG 4.42Å; L686-F840 HydrophobicContact CD2-CZ 3.74Å; L686-F840 HydrophobicContact CG-CD1 4.4Å; L686-F840 HydrophobicContact CG-CE1 4.06Å; L686-F840 HydrophobicContact CG-CZ 4.4Å; L686-M858 HydrophobicContact CD2-CE 3.27Å; L686-M858 HydrophobicContact CD2-SD 3.85Å; L686-W888 HydrophobicContact CD2-CB 4.17Å; L686-I890 HydrophobicContact CB-CD1 4.03Å; L686-I890 HydrophobicContact CD2-CD1 4.34Å; L686-L897 HydrophobicContact CB-CD2 4.4Å; L686-L897 HydrophobicContact CD1-CD1 3.74Å; L686-L897 HydrophobicContact CD1-CD2 4.32Å
687	C	90.6	Very high	84.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.1	176.8	-63.5	0	0	0	0	111.7	F675 Q872 C887 W888 F889 I890	F675-C687 WeakPolarHBondContact O-CA 3.46Å; C687-Q872 HydrophobicContact CB-CG 4.17Å; C687-C887 HydrophobicContact CB-CB 3.96Å; C687-C887 WeakPolarHBondContact CB-SG 3.5Å; C687-C887 WeakPolarHBondContact SG-CB 3.47Å; C687-C887 CovalentContact SG-SG 2.02Å; C687-C887 PolarHBondContact SG-SG 3.03Å; C687-W888 PolarHBondContact N-O 3.35Å; C687-F889 HydrophobicContact CB-CD2 4.13Å; C687-F889 CarbonylContact O-C 3.59Å; C687-F889 VanDerWaalsContact O-CA 3.3Å; C687-F889 WeakPolarHBondContact O-CA 3.45Å; C687-I890 WeakPolarHBondContact O-CD1 3.43Å; C687-I890 PolarHBondContact O-N 3.17Å
688	F	90.7	Very high	85.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	157.3	169.5	65.6	-79.3	0	0	0	109.5	F675 I677 I690 I890 L897 I898	F675-F688 HydrophobicContact CB-CD1 4.15Å; F675-F688 HydrophobicContact CB-CE1 3.66Å; F675-F688 HydrophobicContact CB-CE2 4.3Å; F675-F688 HydrophobicContact CB-CZ 3.76Å; F675-F688 HydrophobicContact CD2-CD2 4.05Å; F675-F688 HydrophobicContact CD2-CE1 4.41Å; F675-F688 AromaticContact CD2-CE2 3.51Å; F675-F688 HydrophobicContact CD2-CE2 3.51Å; F675-F688 AromaticContact CD2-CZ 3.72Å; F675-F688 HydrophobicContact CD2-CZ 3.72Å; F675-F688 HydrophobicContact CE2-CE2 4.18Å; F675-F688 HydrophobicContact CG-CE1 4.32Å; F675-F688 HydrophobicContact CG-CE2 4.18Å; F675-F688 AromaticContact CG-CZ 3.9Å; F675-F688 HydrophobicContact CG-CZ 3.9Å; F675-F688 PolarHBondContact N-O 3.03Å; F675-F688 PolarHBondContact O-N 3.49Å; I677-F688 HydrophobicContact CD1-CD1 4.31Å; I677-F688 HydrophobicContact CD1-CE1 3.7Å; I677-F688 HydrophobicContact CG1-CE1 4.47Å; F688-I690 HydrophobicContact CD2-CD1 4Å; F688-I690 HydrophobicContact CD2-CG1 4.23Å; F688-I690 HydrophobicContact CE2-CD1 3.87Å; F688-I690 HydrophobicContact CE2-CG1 3.95Å; F688-I890 HydrophobicContact CB-CB 4.24Å; F688-L897 HydrophobicContact CD1-CD2 4Å; F688-L897 HydrophobicContact CE1-CD2 4.43Å; F688-I898 HydrophobicContact CE2-CG2 4.19Å; F688-I898 HydrophobicContact CZ-CG2 4.07Å
689	N	87.9	Confident	85.7	Confident	23 Å²	23	44.8 Å²	44.8	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	159.1	173.8	-66.6	9.3	0	0	0	109.7	D672 P673 H674 N691 F889 N893	D672-N689 HydrophobicContact CB-CB 4.32Å; P673-N689 WeakPolarHBondContact O-CA 3.49Å; H674-N689 VanDerWaalsContact CA-OD1 3.31Å; H674-N689 WeakPolarHBondContact CA-OD1 3.35Å; H674-N689 WeakPolarHBondContact CB-OD1 3.39Å; N689-N691 WeakPolarHBondContact CB-OD1 3.39Å; N689-F889 HydrophobicContact CB-CZ 4.21Å; N689-F889 WeakPolarHBondContact OD1-CE2 3.33Å; N689-N893 VanDerWaalsContact O-CA 3.26Å; N689-N893 WeakPolarHBondContact O-CA 3.13Å
690	I	86.4	Confident	86.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.			trans	-118.9	105.8	165.7	-62.1	-65.4	0	0	0	107.5	P673 F675 F688 E692 L698 L830 N893 Y902	P673-I690 WeakPolarHBondContact CG-O 3.39Å; P673-I690 PolarHBondContact O-N 3.36Å; F675-I690 HydrophobicContact CD2-CG1 4.19Å; F675-I690 HydrophobicContact CE2-CB 4.15Å; F675-I690 HydrophobicContact CE2-CG1 3.59Å; F688-I690 HydrophobicContact CD2-CD1 4Å; F688-I690 HydrophobicContact CD2-CG1 4.23Å; F688-I690 HydrophobicContact CE2-CD1 3.87Å; F688-I690 HydrophobicContact CE2-CG1 3.95Å; I690-E692 HydrophobicContact CG2-CB 4.36Å; I690-E692 HydrophobicContact CG2-CG 4.1Å; I690-E692 PolarHBondContact O-N 2.88Å; I690-L698 HydrophobicContact CB-CD1 4.18Å; I690-L698 HydrophobicContact CG2-CD1 3.72Å; I690-L698 HydrophobicContact CG2-CD2 4.27Å; I690-L830 HydrophobicContact CD1-CD2 4.46Å; I690-L830 HydrophobicContact CG1-CD1 4.42Å; I690-N893 HydrophobicContact CD1-CB 3.93Å; I690-N893 WeakPolarHBondContact CD1-O 3.25Å; I690-Y902 HydrophobicContact CD1-CG 4.33Å; I690-Y902 HydrophobicContact CG2-CD2 4.21Å
691	N	82.4	Confident	87.4	Confident	74 Å²	74	39.9 Å²	39.9	40%	0.396	21%	0.207	S	C	.	.			trans	-95.1	95.8	-177.5	-57.6	-15.5	0	0	0	108.5	D672 N689 N893	D672-N691 VanDerWaalsContact CB-OD1 3.27Å; D672-N691 WeakPolarHBondContact CB-OD1 3.44Å; D672-N691 VanDerWaalsContact CG-OD1 3.25Å; D672-N691 PolarHBondContact OD2-OD1 2.98Å; N689-N691 WeakPolarHBondContact CB-OD1 3.39Å; N691-N893 PolarHBondContact N-OD1 2.79Å
692	E	85.9	Confident	88.2	Confident	35 Å²	35	39.3 Å²	39.3	16%	0.164	20%	0.204	C	C	.	.			trans	-130.5	167.4	-176.5	-94.3	-56.1	141.1	0	0	112.6	I690 V696 L714 T728 Y902	I690-E692 HydrophobicContact CG2-CB 4.36Å; I690-E692 HydrophobicContact CG2-CG 4.1Å; I690-E692 PolarHBondContact O-N 2.88Å; E692-V696 HydrophobicContact CB-CB 4.39Å; E692-V696 HydrophobicContact CB-CG1 4.31Å; E692-V696 HydrophobicContact CB-CG2 4.47Å; E692-V696 HydrophobicContact CG-CG1 4.48Å; E692-L714 HydrophobicContact CB-CD1 3.59Å; E692-T728 WeakPolarHBondContact O-CG2 3.19Å; E692-Y902 HydrophobicContact CG-CD2 4.08Å; E692-Y902 HydrophobicContact CG-CE2 3.47Å; E692-Y902 VanDerWaalsContact CG-CE2 3.47Å; E692-Y902 WeakPolarHBondContact OE1-CE2 3.32Å; E692-Y902 PolarHBondContact OE1-OH 3.47Å
693	E	83.7	Confident	88.8	Confident	117 Å²	117	34.3 Å²	34.3	55%	0.547	18%	0.183	S	C	.	.			trans	-71.3	138.9	-178.3	-66.8	-165.9	178.5	0	0	112.5	G695 V696	E693-G695 PolarHBondContact O-N 2.7Å; E693-V696 HydrophobicContact CB-CG2 4.44Å; E693-V696 WeakPolarHBondContact O-CB 3.33Å; E693-V696 WeakPolarHBondContact O-CG2 3.42Å; E693-V696 PolarHBondContact O-N 2.78Å; E693-V696 VanDerWaalsContact O-N 3.11Å
694	P	84.9	Confident	89.1	Confident	38 Å²	38	28.5 Å²	28.5	25%	0.247	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	128.2	168.3	-31	34.7	0	0	0	112.5	G716 R720 T728	P694-G716 VanDerWaalsContact CG-CA 3.43Å; P694-R720 VanDerWaalsContact CD-NH2 3.29Å; P694-T728 HydrophobicContact CG-CG2 3.94Å
695	G	84.8	Confident	89	Confident	40 Å²	40	31.4 Å²	31.4	41%	0.412	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-23.9	-175.5	0	0	0	0	0	113.5	E693 Q713 L714	E693-G695 PolarHBondContact O-N 2.7Å; G695-Q713 PolarHBondContact O-NE2 2.91Å; G695-Q713 VanDerWaalsContact O-NE2 3.15Å; G695-L714 PolarHBondContact N-O 3.05Å
696	V	91.3	Very high	88.5	Confident	29 Å²	29	34 Å²	34	18%	0.176	19%	0.192	C	C	.	.			trans	-62.3	138.1	175.9	171.9	0	0	0	0	110.7	E692 E693 L698 Q713 L714 I906	E692-V696 HydrophobicContact CB-CB 4.39Å; E692-V696 HydrophobicContact CB-CG1 4.31Å; E692-V696 HydrophobicContact CB-CG2 4.47Å; E692-V696 HydrophobicContact CG-CG1 4.48Å; E693-V696 HydrophobicContact CB-CG2 4.44Å; E693-V696 WeakPolarHBondContact O-CB 3.33Å; E693-V696 WeakPolarHBondContact O-CG2 3.42Å; E693-V696 PolarHBondContact O-N 2.78Å; E693-V696 VanDerWaalsContact O-N 3.11Å; V696-L698 HydrophobicContact CG1-CD2 3.98Å; V696-L698 HydrophobicContact CG1-CG 4.45Å; V696-Q713 WeakPolarHBondContact O-CA 3.48Å; V696-L714 PolarHBondContact O-N 2.85Å; V696-I906 HydrophobicContact CG1-CD1 4.05Å; V696-I906 HydrophobicContact CG1-CG1 3.91Å; V696-I906 HydrophobicContact CG1-CG2 4.03Å
697	I	93.9	Very high	88.1	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.082	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.8	176.9	-53.4	173.2	0	0	0	108.9	N711 G712 Q713 I906 I907 I910	I697-N711 HydrophobicContact CG2-CB 4.14Å; I697-G712 WeakPolarHBondContact CA-O 3.39Å; I697-Q713 HydrophobicContact CG1-CB 4.04Å; I697-Q713 HydrophobicContact CG1-CG 3.92Å; I697-I906 WeakPolarHBondContact O-CA 3.39Å; I697-I907 HydrophobicContact CB-CG1 3.99Å; I697-I907 HydrophobicContact CG2-CD1 3.9Å; I697-I907 HydrophobicContact CG2-CG1 3.59Å; I697-I907 PolarHBondContact O-N 3.44Å; I697-I910 HydrophobicContact CD1-CB 4.32Å; I697-I910 HydrophobicContact CG2-CD1 3.56Å
698	L	93.9	Very high	88	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.2	-179	-60.5	176.4	0	0	0	110.9	I690 V696 L700 N711 G712 L714 L830 Y905 I906	I690-L698 HydrophobicContact CB-CD1 4.18Å; I690-L698 HydrophobicContact CG2-CD1 3.72Å; I690-L698 HydrophobicContact CG2-CD2 4.27Å; V696-L698 HydrophobicContact CG1-CD2 3.98Å; V696-L698 HydrophobicContact CG1-CG 4.45Å; L698-L700 HydrophobicContact CB-CD2 4.16Å; L698-L700 PolarHBondContact O-N 3.4Å; L698-N711 CarbonylContact O-C 3.59Å; L698-N711 VanDerWaalsContact O-CA 3.3Å; L698-N711 WeakPolarHBondContact O-CA 3.24Å; L698-G712 PolarHBondContact N-O 3.42Å; L698-G712 PolarHBondContact O-N 2.82Å; L698-L714 HydrophobicContact CD1-CD1 4.13Å; L698-L714 HydrophobicContact CD1-CD2 4.19Å; L698-L714 HydrophobicContact CD1-CG 4.29Å; L698-L830 HydrophobicContact CB-CD1 3.89Å; L698-L830 HydrophobicContact CD1-CD1 4.05Å; L698-L830 HydrophobicContact CD2-CD1 4.34Å; L698-L830 HydrophobicContact CG-CD1 4.32Å; L698-Y905 WeakPolarHBondContact CA-O 3.42Å; L698-I906 HydrophobicContact CD2-CG1 4.02Å
699	S	95	Very high	88	Confident	7 Å²	7	35.6 Å²	35.6	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	112.3	170.2	-169.2	0	0	0	0	110.9	N711 L830 Y905	S699-N711 WeakPolarHBondContact CA-OD1 3.42Å; S699-N711 PolarHBondContact OG-OD1 2.91Å; S699-L830 PolarHBondContact O-N 3.19Å; S699-Y905 PolarHBondContact N-O 3.27Å
700	L	94.3	Very high	88.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-47.4	-174.1	-53.9	-176	0	0	0	111.6	F675 L698 V710 F730 L733 F815 G829 L830 L831 G832	F675-L700 HydrophobicContact CE1-CD2 4.02Å; F675-L700 HydrophobicContact CZ-CD2 4.05Å; L698-L700 HydrophobicContact CB-CD2 4.16Å; L698-L700 PolarHBondContact O-N 3.4Å; L700-V710 WeakPolarHBondContact CA-O 3.47Å; L700-V710 HydrophobicContact CB-CB 4.5Å; L700-V710 HydrophobicContact CB-CG1 4.39Å; L700-V710 WeakPolarHBondContact CB-O 3.39Å; L700-V710 HydrophobicContact CD1-CG1 4.26Å; L700-V710 PolarHBondContact N-O 3.45Å; L700-F730 HydrophobicContact CD1-CE1 4.18Å; L700-F730 HydrophobicContact CD1-CE2 4.42Å; L700-F730 HydrophobicContact CD1-CZ 3.92Å; L700-F730 HydrophobicContact CD2-CE1 4.17Å; L700-F730 HydrophobicContact CD2-CZ 3.74Å; L700-F730 HydrophobicContact CG-CZ 4.45Å; L700-L733 HydrophobicContact CD1-CD2 3.87Å; L700-F815 HydrophobicContact CD1-CD1 4.03Å; L700-F815 HydrophobicContact CD1-CG 4.31Å; L700-G829 CarbonylContact O-C 3.59Å; L700-L830 HydrophobicContact CD2-CD1 4.21Å; L700-L830 PolarHBondContact O-N 2.82Å; L700-L831 PolarHBondContact O-N 2.81Å; L700-G832 PolarHBondContact O-N 2.97Å; L700-G832 VanDerWaalsContact O-N 3.15Å
701	V	93.4	Very high	88.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.6	-179.9	-176.9	0	0	0	0	108.4	F708 S709 V710 F795 F815 M823 T827 H828 L831 F835	V701-F708 HydrophobicContact CG1-CD1 4.44Å; V701-F708 HydrophobicContact CG1-CE1 4.45Å; V701-S709 CarbonylContact O-C 3.47Å; V701-S709 VanDerWaalsContact O-CA 3.29Å; V701-S709 WeakPolarHBondContact O-CA 3.33Å; V701-V710 HydrophobicContact CB-CB 4.13Å; V701-V710 HydrophobicContact CB-CG2 4.21Å; V701-V710 PolarHBondContact N-O 2.85Å; V701-V710 VanDerWaalsContact N-O 3.15Å; V701-V710 PolarHBondContact O-N 2.82Å; V701-F795 HydrophobicContact CG2-CE1 4.49Å; V701-F815 HydrophobicContact CG2-CE1 4.29Å; V701-F815 HydrophobicContact CG2-CZ 4.48Å; V701-M823 HydrophobicContact CG1-CE 4.23Å; V701-T827 HydrophobicContact CG1-CG2 3.8Å; V701-H828 CarbonylContact C-O 3.58Å; V701-H828 WeakPolarHBondContact CA-O 3.32Å; V701-L831 HydrophobicContact CG2-CB 4.36Å; V701-F835 HydrophobicContact CG1-CE2 3.79Å; V701-F835 HydrophobicContact CG1-CZ 4.32Å; V701-F835 HydrophobicContact CG2-CE2 4.02Å; V701-F835 HydrophobicContact CG2-CZ 3.68Å
702	Q	91.6	Very high	89.4	Confident	109 Å²	109	31.4 Å²	31.4	51%	0.509	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	117	173.3	-171.6	176.4	38.8	0	0	109.4	T827 H828	Q702-T827 CarbonylContact O-C 3.55Å; Q702-T827 WeakPolarHBondContact O-CA 3.28Å; Q702-H828 PolarHBondContact N-O 3.27Å; Q702-H828 PolarHBondContact O-N 3.2Å
703	D	89.2	Confident	89.7	Confident	3 Å²	3	32 Å²	32	2%	0.016	19%	0.187	C	C	.	.			trans	-107.8	105	175.1	-179.5	5.1	0	0	0	110.2	N705 T706 G707 F708 M823 S824 T827	D703-N705 PolarHBondContact O-N 2.92Å; D703-N705 WeakPolarHBondContact OD1-CB 3.31Å; D703-N705 PolarHBondContact OD1-N 2.75Å; D703-T706 WeakPolarHBondContact CB-OG1 3.33Å; D703-T706 PolarHBondContact O-N 2.83Å; D703-T706 VanDerWaalsContact OD2-CG2 3.31Å; D703-T706 WeakPolarHBondContact OD2-CG2 3.44Å; D703-T706 PolarHBondContact OD2-OG1 3.11Å; D703-G707 CarbonylContact O-C 3.51Å; D703-G707 WeakPolarHBondContact O-CA 3.28Å; D703-G707 PolarHBondContact O-N 2.85Å; D703-F708 HydrophobicContact CB-CB 4.42Å; D703-F708 PolarHBondContact N-O 2.77Å; D703-F708 PolarHBondContact O-N 2.87Å; D703-M823 HydrophobicContact CB-CE 3.91Å; D703-S824 WeakPolarHBondContact OD1-CB 3.37Å; D703-S824 PolarHBondContact OD1-OG 2.87Å; D703-S824 WeakPolarHBondContact OD2-CB 3.45Å; D703-T827 HydrophobicContact CB-CG2 4.27Å
704	P	85.2	Confident	90	Very high	68 Å²	68	26.4 Å²	26.4	44%	0.442	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	-177.8	29.6	-35.5	0	0	0	113.4	R826	P704-R826 WeakPolarHBondContact CD-O 3.38Å; P704-R826 HydrophobicContact CG-CB 3.64Å
705	N	83.6	Confident	90.1	Very high	96 Å²	96	26.3 Å²	26.3	51%	0.513	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-36.8	-179.6	-70.9	-3.6	0	0	0	112	D703 S824	D703-N705 PolarHBondContact O-N 2.92Å; D703-N705 WeakPolarHBondContact OD1-CB 3.31Å; D703-N705 PolarHBondContact OD1-N 2.75Å; N705-S824 WeakPolarHBondContact ND2-CB 3.39Å; N705-S824 PolarHBondContact ND2-OG 2.82Å
706	T	78.4	Confident	89.7	Confident	59 Å²	59	24.8 Å²	24.8	36%	0.362	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-16.8	-179.5	58	0	0	0	0	112.9	D703 F708 N737	D703-T706 WeakPolarHBondContact CB-OG1 3.33Å; D703-T706 PolarHBondContact O-N 2.83Å; D703-T706 VanDerWaalsContact OD2-CG2 3.31Å; D703-T706 WeakPolarHBondContact OD2-CG2 3.44Å; D703-T706 PolarHBondContact OD2-OG1 3.11Å; T706-F708 PolarHBondContact O-N 3.07Å; T706-F708 WeakPolarHBondContact OG1-CB 3.35Å; T706-F708 PolarHBondContact OG1-N 3.4Å; T706-N737 PolarHBondContact O-ND2 3.17Å; T706-N737 PolarHBondContact O-OD1 3.2Å
707	G	82.3	Confident	88.7	Confident	24 Å²	24	24.2 Å²	24.2	25%	0.247	14%	0.138	C	C	.	.			trans	80.4	-3.7	-170.2	0	0	0	0	0	113.2	D703 S709 P738	D703-G707 CarbonylContact O-C 3.51Å; D703-G707 WeakPolarHBondContact O-CA 3.28Å; D703-G707 PolarHBondContact O-N 2.85Å; G707-S709 PolarHBondContact O-N 3.04Å; G707-P738 WeakPolarHBondContact O-CD 3.34Å
708	F	89	Confident	87	Confident	1 Å²	1	30 Å²	30	0%	0.004	16%	0.163	C	C	.	.			trans	-65	129	-176.6	-178	-99.6	0	0	0	111.9	V701 D703 T706 V710 I735 A736 V789 F795 M823	V701-F708 HydrophobicContact CG1-CD1 4.44Å; V701-F708 HydrophobicContact CG1-CE1 4.45Å; D703-F708 HydrophobicContact CB-CB 4.42Å; D703-F708 PolarHBondContact N-O 2.77Å; D703-F708 PolarHBondContact O-N 2.87Å; T706-F708 PolarHBondContact O-N 3.07Å; T706-F708 WeakPolarHBondContact OG1-CB 3.35Å; T706-F708 PolarHBondContact OG1-N 3.4Å; F708-V710 HydrophobicContact CD1-CG2 4.46Å; F708-V710 HydrophobicContact CE1-CG2 3.49Å; F708-V710 VanDerWaalsContact CE1-CG2 3.49Å; F708-V710 HydrophobicContact CZ-CG2 3.6Å; F708-I735 HydrophobicContact CD2-CG2 4.46Å; F708-I735 HydrophobicContact CE2-CG2 3.47Å; F708-I735 VanDerWaalsContact CE2-CG2 3.47Å; F708-I735 HydrophobicContact CZ-CG2 3.72Å; F708-A736 WeakPolarHBondContact CA-O 3.46Å; F708-V789 HydrophobicContact CD2-CG2 3.73Å; F708-V789 HydrophobicContact CE2-CG2 3.48Å; F708-V789 VanDerWaalsContact CE2-CG2 3.48Å; F708-V789 HydrophobicContact CG-CG2 4.36Å; F708-V789 HydrophobicContact CZ-CG2 3.93Å; F708-F795 HydrophobicContact CD1-CE2 4.32Å; F708-F795 HydrophobicContact CD1-CZ 4.48Å; F708-F795 HydrophobicContact CE1-CD2 4.04Å; F708-F795 AromaticContact CE1-CE2 3.32Å; F708-F795 HydrophobicContact CE1-CE2 3.32Å; F708-F795 AromaticContact CE1-CZ 3.63Å; F708-F795 HydrophobicContact CE1-CZ 3.63Å; F708-F795 HydrophobicContact CE2-CE2 4.49Å; F708-F795 AromaticContact CZ-CD2 3.76Å; F708-F795 HydrophobicContact CZ-CD2 3.76Å; F708-F795 AromaticContact CZ-CE2 3.43Å; F708-F795 HydrophobicContact CZ-CE2 3.43Å; F708-F795 VanDerWaalsContact CZ-CE2 3.43Å; F708-F795 HydrophobicContact CZ-CZ 4.2Å; F708-M823 HydrophobicContact CD1-CE 4.01Å
709	S	92.1	Very high	85.2	Confident	9 Å²	9	32.5 Å²	32.5	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.5	177.3	61.8	0	0	0	0	111.8	V701 G707 I735 A736	V701-S709 CarbonylContact O-C 3.47Å; V701-S709 VanDerWaalsContact O-CA 3.29Å; V701-S709 WeakPolarHBondContact O-CA 3.33Å; G707-S709 PolarHBondContact O-N 3.04Å; S709-I735 CarbonylContact O-C 3.52Å; S709-I735 WeakPolarHBondContact O-CA 3.26Å; S709-A736 PolarHBondContact N-O 3.43Å; S709-A736 PolarHBondContact O-N 3.42Å; S709-A736 WeakPolarHBondContact OG-CB 3.34Å
710	V	94.3	Very high	83.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.2	170.2	-176.1	0	0	0	0	108.6	L700 V701 F708 G734 I735 F815	L700-V710 WeakPolarHBondContact CA-O 3.47Å; L700-V710 HydrophobicContact CB-CB 4.5Å; L700-V710 HydrophobicContact CB-CG1 4.39Å; L700-V710 WeakPolarHBondContact CB-O 3.39Å; L700-V710 HydrophobicContact CD1-CG1 4.26Å; L700-V710 PolarHBondContact N-O 3.45Å; V701-V710 HydrophobicContact CB-CB 4.13Å; V701-V710 HydrophobicContact CB-CG2 4.21Å; V701-V710 PolarHBondContact N-O 2.85Å; V701-V710 VanDerWaalsContact N-O 3.15Å; V701-V710 PolarHBondContact O-N 2.82Å; F708-V710 HydrophobicContact CD1-CG2 4.46Å; F708-V710 HydrophobicContact CE1-CG2 3.49Å; F708-V710 VanDerWaalsContact CE1-CG2 3.49Å; F708-V710 HydrophobicContact CZ-CG2 3.6Å; V710-G734 CarbonylContact C-O 3.59Å; V710-G734 WeakPolarHBondContact CA-O 3.45Å; V710-I735 HydrophobicContact CG1-CG1 4.09Å; V710-I735 HydrophobicContact CG2-CG1 4.13Å; V710-I735 HydrophobicContact CG2-CG2 4.28Å; V710-F815 HydrophobicContact CB-CZ 4.28Å; V710-F815 HydrophobicContact CG1-CD2 4.27Å; V710-F815 HydrophobicContact CG1-CE1 4.35Å; V710-F815 HydrophobicContact CG1-CE2 3.74Å; V710-F815 HydrophobicContact CG1-CZ 3.79Å; V710-F815 HydrophobicContact CG2-CE2 4.42Å; V710-F815 HydrophobicContact CG2-CZ 4.14Å
711	N	95.8	Very high	80.6	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.2	-179.8	-56.3	-43.7	0	0	0	110.1	I697 L698 S699 L733 G734 I907 I910	I697-N711 HydrophobicContact CG2-CB 4.14Å; L698-N711 CarbonylContact O-C 3.59Å; L698-N711 VanDerWaalsContact O-CA 3.3Å; L698-N711 WeakPolarHBondContact O-CA 3.24Å; S699-N711 WeakPolarHBondContact CA-OD1 3.42Å; S699-N711 PolarHBondContact OG-OD1 2.91Å; N711-L733 CarbonylContact O-C 3.21Å; N711-L733 VanDerWaalsContact O-CA 3.32Å; N711-L733 WeakPolarHBondContact O-CA 3.33Å; N711-G734 PolarHBondContact N-O 2.74Å; N711-G734 PolarHBondContact O-N 2.88Å; N711-I907 HydrophobicContact CB-CD1 3.74Å; N711-I907 WeakPolarHBondContact ND2-CD1 3.37Å; N711-I907 VanDerWaalsContact OD1-CD1 3.28Å; N711-I907 WeakPolarHBondContact OD1-CD1 3.47Å; N711-I910 HydrophobicContact CB-CD1 4Å; N711-I910 WeakPolarHBondContact CB-O 3.38Å; N711-I910 PolarHBondContact ND2-O 3.25Å
712	G	94.1	Very high	78.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.4	-178.1	0	0	0	0	0	113.2	I697 L698 R732	I697-G712 WeakPolarHBondContact CA-O 3.39Å; L698-G712 PolarHBondContact N-O 3.42Å; L698-G712 PolarHBondContact O-N 2.82Å; G712-R732 CarbonylContact C-O 3.53Å; G712-R732 WeakPolarHBondContact CA-O 3.41Å
713	Q	93.6	Very high	75.9	Confident	47 Å²	47	49.1 Å²	49.1	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.9	175	-170	172.6	31.9	0	0	111.2	G695 V696 I697 G731 R732 I910	G695-Q713 PolarHBondContact O-NE2 2.91Å; G695-Q713 VanDerWaalsContact O-NE2 3.15Å; V696-Q713 WeakPolarHBondContact O-CA 3.48Å; I697-Q713 HydrophobicContact CG1-CB 4.04Å; I697-Q713 HydrophobicContact CG1-CG 3.92Å; Q713-G731 PolarHBondContact O-N 3.18Å; Q713-R732 HydrophobicContact CB-CB 4.07Å; Q713-R732 PolarHBondContact N-O 3.36Å; Q713-I910 HydrophobicContact CB-CD1 4.22Å
714	L	89.7	Confident	73.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.2	177.6	-59.1	-175.4	0	0	0	112	P673 E692 G695 V696 L698 Y729 F730	P673-L714 HydrophobicContact CG-CD2 3.86Å; E692-L714 HydrophobicContact CB-CD1 3.59Å; G695-L714 PolarHBondContact N-O 3.05Å; V696-L714 PolarHBondContact O-N 2.85Å; L698-L714 HydrophobicContact CD1-CD1 4.13Å; L698-L714 HydrophobicContact CD1-CD2 4.19Å; L698-L714 HydrophobicContact CD1-CG 4.29Å; L714-Y729 CarbonylContact C-O 3.57Å; L714-Y729 VanDerWaalsContact CA-O 3.28Å; L714-Y729 WeakPolarHBondContact CA-O 3.46Å; L714-F730 HydrophobicContact CD2-CD1 3.98Å; L714-F730 HydrophobicContact CD2-CE1 3.87Å
715	I	85.8	Confident	72.3	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.185	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.1	170.6	58.5	170.8	0	0	0	109.3	T728 Y729 Q810 F812	I715-T728 CarbonylContact O-C 3.59Å; I715-T728 VanDerWaalsContact O-CA 3.26Å; I715-T728 WeakPolarHBondContact O-CA 3.38Å; I715-Y729 WeakPolarHBondContact CG1-O 3.41Å; I715-Y729 PolarHBondContact N-O 3.13Å; I715-Y729 PolarHBondContact O-N 2.94Å; I715-Q810 HydrophobicContact CD1-CG 4.02Å; I715-F812 HydrophobicContact CD1-CB 4.38Å
716	G	76.8	Confident	71	Confident	7 Å²	7	58.8 Å²	58.8	7%	0.072	34%	0.335	C	S	.	.			trans	-96.7	176.3	179.7	0	0	0	0	0	113.2	P694 Q810	P694-G716 VanDerWaalsContact CG-CA 3.43Å; G716-Q810 PolarHBondContact O-NE2 2.91Å
717	N	70.3	Confident	70.6	Confident	17 Å²	17	56.2 Å²	56.2	9%	0.091	32%	0.321	C	S	.	.			trans	-61.2	154.8	167.5	-78.8	-36.2	0	0	0	112.7	A719 D726 G727 Y729 V808 H809	N717-A719 PolarHBondContact O-N 3.08Å; N717-D726 HydrophobicContact CB-CB 4.45Å; N717-D726 PolarHBondContact ND2-O 2.67Å; N717-G727 PolarHBondContact ND2-O 3.35Å; N717-Y729 WeakPolarHBondContact OD1-CE2 3.39Å; N717-V808 CarbonylContact C-O 3.53Å; N717-V808 WeakPolarHBondContact CA-O 3.42Å; N717-V808 HydrophobicContact CB-CG1 4.45Å; N717-V808 WeakPolarHBondContact CB-O 3.48Å; N717-V808 PolarHBondContact OD1-O 3.03Å; N717-H809 PolarHBondContact OD1-ND1 3.33Å
718	K	58.7	Low	70.5	Confident	137 Å²	137	55.4 Å²	55.4	60%	0.596	31%	0.311	S	S	*	.	S	Bend	trans	-72.6	-25.9	-169.9	-137.9	178.9	-172.9	178.4	0	113.8	V808	K718-V808 PolarHBondContact N-O 3.47Å
719	A	55.5	Low	70.3	Confident	54 Å²	54	55.7 Å²	55.7	45%	0.446	31%	0.312	S	S	.	.	S	Bend	trans	-96.9	114.2	172.7	0	0	0	0	0	108.4	N717 S807	N717-A719 PolarHBondContact O-N 3.08Å; A719-S807 WeakPolarHBondContact CB-O 3.3Å
720	R	51.1	Low	70.2	Confident	167 Å²	167	55.8 Å²	55.8	63%	0.63	31%	0.311	S	S	*	.			trans	-114.6	115.4	173.4	-116.7	-178.9	168.9	-174.7	-8.5	110.2	P694	P694-R720 VanDerWaalsContact CD-NH2 3.29Å
721	S	42.5	Very low	69.9	Low	74 Å²	74	56.1 Å²	56.1	52%	0.517	32%	0.315	S	S	.	.			trans	-86.5	136.1	147.8	-58.3	0	0	0	0	107.4	G723	S721-G723 PolarHBondContact O-N 3.46Å
722	P	40	Very low	69.7	Low	137 Å²	137	59.3 Å²	59.3	89%	0.89	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	126.6	176.3	-17.7	30.4	0	0	0	110.8
723	G	47.1	Very low	69.8	Low	86 Å²	86	59.3 Å²	59.3	89%	0.887	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	9.4	172.4	0	0	0	0	0	117.3	S721	S721-G723 PolarHBondContact O-N 3.46Å
724	Q	45	Very low	69.8	Low	126 Å²	126	57.1 Å²	57.1	59%	0.589	32%	0.316	S	S	*	.			trans	-113.4	120.7	176.1	-138.1	165.9	-2.8	0	0	110.3	D726	Q724-D726 VanDerWaalsContact C-N 3.31Å; Q724-D726 PolarHBondContact O-N 3.39Å
725	H	52.5	Low	69.9	Low	161 Å²	161	57 Å²	57	75%	0.745	32%	0.316	S	S	*	.			trans	-78.6	75.8	178.5	-68.4	-75.8	0	0	0	110.6
726	D	56.6	Low	70.2	Confident	84 Å²	84	55.4 Å²	55.4	45%	0.449	31%	0.308	S	S	.	.			trans	-92.7	105.5	172.1	-70.4	-24.6	0	0	0	110	N717 Q724	N717-D726 HydrophobicContact CB-CB 4.45Å; N717-D726 PolarHBondContact ND2-O 2.67Å; Q724-D726 VanDerWaalsContact C-N 3.31Å; Q724-D726 PolarHBondContact O-N 3.39Å
727	G	69.9	Low	70.6	Confident	5 Å²	5	55.7 Å²	55.7	5%	0.052	31%	0.307	C	S	.	.			trans	31.7	115.5	163.5	0	0	0	0	0	119.2	D672 N717 Y729	D672-G727 VanDerWaalsContact OD1-CA 3.32Å; D672-G727 WeakPolarHBondContact OD1-CA 3.45Å; N717-G727 PolarHBondContact ND2-O 3.35Å; G727-Y729 WeakPolarHBondContact O-CE2 3.37Å
728	T	80.4	Confident	70.8	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.043	33%	0.331	C	S	.	.			trans	-100.3	159.7	172.8	57.8	0	0	0	0	114	D672 P673 E692 P694 I715	D672-T728 CarbonylContact C-O 3.59Å; D672-T728 WeakPolarHBondContact CA-O 3.34Å; D672-T728 PolarHBondContact N-O 3.32Å; D672-T728 PolarHBondContact OD1-N 2.93Å; D672-T728 PolarHBondContact OD1-OG1 3.49Å; D672-T728 VanDerWaalsContact OD1-OG1 3.11Å; P673-T728 VanDerWaalsContact CD-O 3.3Å; P673-T728 WeakPolarHBondContact CD-O 3.31Å; P673-T728 VanDerWaalsContact CD-OG1 3.28Å; P673-T728 WeakPolarHBondContact CD-OG1 3.48Å; E692-T728 WeakPolarHBondContact O-CG2 3.19Å; P694-T728 HydrophobicContact CG-CG2 3.94Å; I715-T728 CarbonylContact O-C 3.59Å; I715-T728 VanDerWaalsContact O-CA 3.26Å; I715-T728 WeakPolarHBondContact O-CA 3.38Å
729	Y	85.2	Confident	71.5	Confident	6 Å²	6	56.6 Å²	56.6	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	163.5	-180	-50.2	-88.1	0	0	0	111.2	V669 D670 L714 I715 N717 G727 G731 H809 F812	V669-Y729 HydrophobicContact CG1-CD1 4.39Å; V669-Y729 HydrophobicContact CG1-CE1 3.41Å; V669-Y729 VanDerWaalsContact CG1-CE1 3.41Å; D670-Y729 VanDerWaalsContact O-CE1 3.29Å; D670-Y729 WeakPolarHBondContact O-CE1 3.16Å; L714-Y729 CarbonylContact C-O 3.57Å; L714-Y729 VanDerWaalsContact CA-O 3.28Å; L714-Y729 WeakPolarHBondContact CA-O 3.46Å; I715-Y729 WeakPolarHBondContact CG1-O 3.41Å; I715-Y729 PolarHBondContact N-O 3.13Å; I715-Y729 PolarHBondContact O-N 2.94Å; N717-Y729 WeakPolarHBondContact OD1-CE2 3.39Å; G727-Y729 WeakPolarHBondContact O-CE2 3.37Å; Y729-G731 PolarHBondContact O-N 3.34Å; Y729-H809 PolarHBondContact OH-ND1 3.49Å; Y729-F812 VanDerWaalsContact CB-CB 3.45Å; Y729-F812 HydrophobicContact CD1-CB 4.36Å; Y729-F812 AromaticContact CD1-CD1 3.89Å; Y729-F812 HydrophobicContact CD1-CD1 3.89Å; Y729-F812 AromaticContact CD1-CD2 3.71Å; Y729-F812 HydrophobicContact CD1-CD2 3.71Å; Y729-F812 HydrophobicContact CD1-CE1 4.08Å; Y729-F812 AromaticContact CD1-CE2 3.9Å; Y729-F812 HydrophobicContact CD1-CE2 3.9Å; Y729-F812 AromaticContact CD1-CG 3.71Å; Y729-F812 HydrophobicContact CD1-CG 3.71Å; Y729-F812 HydrophobicContact CD1-CZ 4.09Å; Y729-F812 HydrophobicContact CE1-CD1 4.33Å; Y729-F812 HydrophobicContact CE1-CE1 4.19Å; Y729-F812 HydrophobicContact CE1-CZ 4.29Å; Y729-F812 HydrophobicContact CG-CB 3.96Å; Y729-F812 HydrophobicContact CG-CD1 4.14Å; Y729-F812 HydrophobicContact CG-CD2 4.14Å; Y729-F812 AromaticContact CG-CG 3.82Å; Y729-F812 HydrophobicContact CG-CG 3.82Å
730	F	89.4	Confident	72.3	Confident	11 Å²	11	56 Å²	56	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.3	168.2	-68.4	-64.6	0	0	0	111	P673 F675 L700 L714 L733 L813	P673-F730 HydrophobicContact CB-CD2 4.31Å; P673-F730 HydrophobicContact CB-CE2 3.84Å; P673-F730 HydrophobicContact CB-CZ 4.24Å; F675-F730 HydrophobicContact CE1-CE2 4.06Å; F675-F730 HydrophobicContact CE1-CZ 4.04Å; F675-F730 HydrophobicContact CZ-CE2 4.1Å; F675-F730 AromaticContact CZ-CZ 3.78Å; F675-F730 HydrophobicContact CZ-CZ 3.78Å; L700-F730 HydrophobicContact CD1-CE1 4.18Å; L700-F730 HydrophobicContact CD1-CE2 4.42Å; L700-F730 HydrophobicContact CD1-CZ 3.92Å; L700-F730 HydrophobicContact CD2-CE1 4.17Å; L700-F730 HydrophobicContact CD2-CZ 3.74Å; L700-F730 HydrophobicContact CG-CZ 4.45Å; L714-F730 HydrophobicContact CD2-CD1 3.98Å; L714-F730 HydrophobicContact CD2-CE1 3.87Å; F730-L733 HydrophobicContact CD1-CD2 4.29Å; F730-L733 HydrophobicContact CG-CD2 4.32Å; F730-L813 HydrophobicContact CB-CB 4.23Å; F730-L813 WeakPolarHBondContact O-CB 3.41Å; F730-L813 PolarHBondContact O-N 2.83Å
731	G	87.4	Confident	73.6	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-16	175.3	0	0	0	0	0	113.7	Q713 Y729 P748	Q713-G731 PolarHBondContact O-N 3.18Å; Y729-G731 PolarHBondContact O-N 3.34Å; G731-P748 WeakPolarHBondContact O-CD 3.3Å
732	R	93.3	Very high	75.7	Confident	75 Å²	75	48.1 Å²	48.1	28%	0.283	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	135.1	178.6	-175.9	176.6	176.5	-153.3	2	109.1	G712 Q713 E745 V746 T747	G712-R732 CarbonylContact C-O 3.53Å; G712-R732 WeakPolarHBondContact CA-O 3.41Å; Q713-R732 HydrophobicContact CB-CB 4.07Å; Q713-R732 PolarHBondContact N-O 3.36Å; R732-E745 HydrophobicContact CG-CG 4.12Å; R732-E745 IonicContact CZ-OE2 3.11Å; R732-E745 IonicContact NE-OE2 3.36Å; R732-E745 PolarHBondContact NE-OE2 2.7Å; R732-E745 IonicContact NH2-OE2 3.07Å; R732-E745 PolarHBondContact NH2-OE2 3.05Å; R732-V746 CarbonylContact C-O 3.58Å; R732-V746 VanDerWaalsContact CA-O 3.27Å; R732-V746 WeakPolarHBondContact CA-O 3.46Å; R732-T747 HydrophobicContact CB-CG2 4.3Å; R732-T747 HydrophobicContact CG-CG2 4.01Å
733	L	95.1	Very high	78.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.8	172.2	-68.6	163.1	0	0	0	108.6	L700 N711 F730 E745 V746 V797 L813 F815	L700-L733 HydrophobicContact CD1-CD2 3.87Å; N711-L733 CarbonylContact O-C 3.21Å; N711-L733 VanDerWaalsContact O-CA 3.32Å; N711-L733 WeakPolarHBondContact O-CA 3.33Å; F730-L733 HydrophobicContact CD1-CD2 4.29Å; F730-L733 HydrophobicContact CG-CD2 4.32Å; L733-E745 CarbonylContact O-C 3.51Å; L733-E745 WeakPolarHBondContact O-CA 3.42Å; L733-V746 HydrophobicContact CB-CB 4.3Å; L733-V746 PolarHBondContact N-O 2.9Å; L733-V746 PolarHBondContact O-N 3.42Å; L733-V797 HydrophobicContact CD1-CB 4.38Å; L733-V797 HydrophobicContact CD1-CG1 3.53Å; L733-V797 HydrophobicContact CD1-CG2 3.92Å; L733-L813 HydrophobicContact CD1-CB 4.14Å; L733-L813 HydrophobicContact CD1-CD1 4.07Å; L733-L813 HydrophobicContact CG-CD1 4.22Å; L733-F815 HydrophobicContact CD1-CB 4.13Å; L733-F815 HydrophobicContact CD1-CD2 4.36Å; L733-F815 HydrophobicContact CD2-CB 4.43Å
734	G	93.9	Very high	80.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126	168.2	0	0	0	0	0	109.3	V710 N711 L744	V710-G734 CarbonylContact C-O 3.59Å; V710-G734 WeakPolarHBondContact CA-O 3.45Å; N711-G734 PolarHBondContact N-O 2.74Å; N711-G734 PolarHBondContact O-N 2.88Å; G734-L744 CarbonylContact C-O 3.58Å; G734-L744 WeakPolarHBondContact CA-O 3.16Å
735	I	92.5	Very high	82.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.5	172.3	-57.7	176	0	0	0	106.8	F708 S709 V710 F742 Q743 L744 V787	F708-I735 HydrophobicContact CD2-CG2 4.46Å; F708-I735 HydrophobicContact CE2-CG2 3.47Å; F708-I735 VanDerWaalsContact CE2-CG2 3.47Å; F708-I735 HydrophobicContact CZ-CG2 3.72Å; S709-I735 CarbonylContact O-C 3.52Å; S709-I735 WeakPolarHBondContact O-CA 3.26Å; V710-I735 HydrophobicContact CG1-CG1 4.09Å; V710-I735 HydrophobicContact CG2-CG1 4.13Å; V710-I735 HydrophobicContact CG2-CG2 4.28Å; I735-F742 HydrophobicContact CG2-CE1 4.18Å; I735-Q743 CarbonylContact O-C 3.53Å; I735-Q743 WeakPolarHBondContact O-CA 3.48Å; I735-L744 HydrophobicContact CB-CB 4.27Å; I735-L744 HydrophobicContact CD1-CD2 4.32Å; I735-L744 PolarHBondContact N-O 2.93Å; I735-L744 PolarHBondContact O-N 3.4Å; I735-V787 HydrophobicContact CD1-CB 4.34Å; I735-V787 HydrophobicContact CD1-CG1 4.43Å; I735-V787 HydrophobicContact CD1-CG2 3.84Å; I735-V787 HydrophobicContact CG2-CG1 4.45Å
736	A	91.2	Very high	84.6	Confident	2 Å²	2	28 Å²	28	2%	0.017	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	153.6	-175.4	0	0	0	0	0	111.9	F708 S709 F742 Q743 F911	F708-A736 WeakPolarHBondContact CA-O 3.46Å; S709-A736 PolarHBondContact N-O 3.43Å; S709-A736 PolarHBondContact O-N 3.42Å; S709-A736 WeakPolarHBondContact OG-CB 3.34Å; A736-F742 CarbonylContact C-O 3.57Å; A736-F742 VanDerWaalsContact CA-O 3.3Å; A736-F742 WeakPolarHBondContact CA-O 3.45Å; A736-Q743 HydrophobicContact CB-CG 4.44Å; A736-F911 HydrophobicContact CB-CD1 3.77Å
737	N	86	Confident	86.3	Confident	12 Å²	12	25 Å²	25	6%	0.064	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	99.6	158.6	-173.8	-14.5	0	0	0	108.4	T706 A739 T740 A741 F742	T706-N737 PolarHBondContact O-ND2 3.17Å; T706-N737 PolarHBondContact O-OD1 3.2Å; N737-A739 PolarHBondContact O-N 3.03Å; N737-A739 WeakPolarHBondContact OD1-CB 3.48Å; N737-A739 PolarHBondContact OD1-N 2.76Å; N737-A739 VanDerWaalsContact OD1-N 3.1Å; N737-T740 WeakPolarHBondContact CB-OG1 3.42Å; N737-T740 PolarHBondContact O-N 3.3Å; N737-T740 VanDerWaalsContact O-N 3.08Å; N737-T740 PolarHBondContact O-OG1 2.61Å; N737-A741 PolarHBondContact O-N 2.74Å; N737-A741 VanDerWaalsContact O-N 3.08Å; N737-F742 HydrophobicContact CB-CB 4.34Å; N737-F742 PolarHBondContact N-O 2.82Å; N737-F742 PolarHBondContact O-N 2.76Å
738	P	74.4	Confident	87.1	Confident	91 Å²	91	25.3 Å²	25.3	59%	0.591	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.8	-179.1	-24.3	35.9	0	0	0	113.5	G707 T740	G707-P738 WeakPolarHBondContact O-CD 3.34Å; P738-T740 PolarHBondContact O-N 2.73Å
739	A	72	Confident	87.2	Confident	82 Å²	82	30.5 Å²	30.5	68%	0.678	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-23.7	178	0	0	0	0	0	112.5	N737	N737-A739 PolarHBondContact O-N 3.03Å; N737-A739 WeakPolarHBondContact OD1-CB 3.48Å; N737-A739 PolarHBondContact OD1-N 2.76Å; N737-A739 VanDerWaalsContact OD1-N 3.1Å
740	T	73.4	Confident	87.3	Confident	41 Å²	41	33.6 Å²	33.6	25%	0.252	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	4.2	-177.3	62.7	0	0	0	0	113.6	N737 P738 F742 D773	N737-T740 WeakPolarHBondContact CB-OG1 3.42Å; N737-T740 PolarHBondContact O-N 3.3Å; N737-T740 VanDerWaalsContact O-N 3.08Å; N737-T740 PolarHBondContact O-OG1 2.61Å; P738-T740 PolarHBondContact O-N 2.73Å; T740-F742 PolarHBondContact O-N 2.74Å; T740-F742 VanDerWaalsContact O-N 3.09Å; T740-F742 WeakPolarHBondContact OG1-CB 3.21Å; T740-D773 VanDerWaalsContact CB-CB 3.44Å; T740-D773 HydrophobicContact CG2-CB 3.71Å
741	A	78.4	Confident	87.3	Confident	74 Å²	74	33.1 Å²	33.1	61%	0.612	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	19.4	-172.1	0	0	0	0	0	114.3	N737 N754	N737-A741 PolarHBondContact O-N 2.74Å; N737-A741 VanDerWaalsContact O-N 3.08Å; A741-N754 PolarHBondContact O-OD1 3.3Å
742	F	86.7	Confident	87.2	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.7	174.5	174.3	-91.7	0	0	0	109.7	I735 A736 N737 T740 L744 L753 Q772 V775 V777	I735-F742 HydrophobicContact CG2-CE1 4.18Å; A736-F742 CarbonylContact C-O 3.57Å; A736-F742 VanDerWaalsContact CA-O 3.3Å; A736-F742 WeakPolarHBondContact CA-O 3.45Å; N737-F742 HydrophobicContact CB-CB 4.34Å; N737-F742 PolarHBondContact N-O 2.82Å; N737-F742 PolarHBondContact O-N 2.76Å; T740-F742 PolarHBondContact O-N 2.74Å; T740-F742 VanDerWaalsContact O-N 3.09Å; T740-F742 WeakPolarHBondContact OG1-CB 3.21Å; F742-L744 HydrophobicContact CE1-CB 3.87Å; F742-L744 HydrophobicContact CZ-CB 3.72Å; F742-L744 HydrophobicContact CZ-CD2 4.46Å; F742-L753 HydrophobicContact CD2-CD1 4.09Å; F742-L753 HydrophobicContact CE2-CD1 3.49Å; F742-L753 VanDerWaalsContact CE2-CD1 3.49Å; F742-L753 HydrophobicContact CZ-CD1 4.15Å; F742-Q772 HydrophobicContact CD2-CB 3.97Å; F742-Q772 HydrophobicContact CD2-CG 4.15Å; F742-Q772 HydrophobicContact CE2-CB 4.34Å; F742-V775 HydrophobicContact CD1-CB 4.39Å; F742-V775 HydrophobicContact CD1-CG1 4.42Å; F742-V775 HydrophobicContact CD1-CG2 4.15Å; F742-V775 HydrophobicContact CD2-CB 4.34Å; F742-V775 HydrophobicContact CE1-CB 4.19Å; F742-V775 HydrophobicContact CE1-CG1 3.77Å; F742-V775 HydrophobicContact CE1-CG2 4.31Å; F742-V775 HydrophobicContact CE2-CB 4.11Å; F742-V775 HydrophobicContact CE2-CG1 4.13Å; F742-V775 HydrophobicContact CG-CB 4.46Å; F742-V775 HydrophobicContact CG-CG2 4.36Å; F742-V775 HydrophobicContact CZ-CB 4.03Å; F742-V775 HydrophobicContact CZ-CG1 3.59Å; F742-V777 HydrophobicContact CE2-CG2 4.25Å; F742-V777 HydrophobicContact CZ-CG2 3.79Å
743	Q	90.5	Very high	86.8	Confident	60 Å²	60	30.6 Å²	30.6	28%	0.28	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.8	171.2	-68.8	179.6	-15.7	0	0	108.9	I735 A736 N754 F911	I735-Q743 CarbonylContact O-C 3.53Å; I735-Q743 WeakPolarHBondContact O-CA 3.48Å; A736-Q743 HydrophobicContact CB-CG 4.44Å; Q743-N754 PolarHBondContact N-OD1 2.87Å; Q743-N754 WeakPolarHBondContact O-CA 3.38Å; Q743-N754 PolarHBondContact O-N 3.36Å; Q743-N754 PolarHBondContact O-OD1 2.8Å; Q743-F911 HydrophobicContact CB-CD1 3.94Å; Q743-F911 HydrophobicContact CB-CE1 3.72Å; Q743-F911 HydrophobicContact CB-CG 4.48Å; Q743-F911 HydrophobicContact CB-CZ 4.08Å; Q743-F911 HydrophobicContact CG-CD1 3.81Å; Q743-F911 HydrophobicContact CG-CE1 4.14Å; Q743-F911 HydrophobicContact CG-CG 4.11Å
744	L	92.3	Very high	86.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	120	174.6	-179	75.5	0	0	0	108.3	G734 I735 F742 V746 I751 L753 V777 L785 V787	G734-L744 CarbonylContact C-O 3.58Å; G734-L744 WeakPolarHBondContact CA-O 3.16Å; I735-L744 HydrophobicContact CB-CB 4.27Å; I735-L744 HydrophobicContact CD1-CD2 4.32Å; I735-L744 PolarHBondContact N-O 2.93Å; I735-L744 PolarHBondContact O-N 3.4Å; F742-L744 HydrophobicContact CE1-CB 3.87Å; F742-L744 HydrophobicContact CZ-CB 3.72Å; F742-L744 HydrophobicContact CZ-CD2 4.46Å; L744-V746 HydrophobicContact CD2-CG2 4.08Å; L744-V746 HydrophobicContact CG-CG2 4.07Å; L744-I751 HydrophobicContact CD1-CG2 3.88Å; L744-L753 HydrophobicContact CD1-CB 4.39Å; L744-L753 HydrophobicContact CD1-CD1 4.03Å; L744-V777 HydrophobicContact CD1-CG1 4.42Å; L744-V777 HydrophobicContact CD2-CB 4.49Å; L744-V777 HydrophobicContact CD2-CG1 3.8Å; L744-V777 HydrophobicContact CD2-CG2 3.83Å; L744-L785 HydrophobicContact CD2-CD2 4.17Å; L744-V787 HydrophobicContact CD2-CG2 4.02Å
745	E	93.8	Very high	85.4	Confident	29 Å²	29	33.5 Å²	33.5	14%	0.136	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.2	172.6	179.9	175.9	94.7	0	0	109.6	R732 L733 T747 I751 T752 P755 F911	R732-E745 HydrophobicContact CG-CG 4.12Å; R732-E745 IonicContact CZ-OE2 3.11Å; R732-E745 IonicContact NE-OE2 3.36Å; R732-E745 PolarHBondContact NE-OE2 2.7Å; R732-E745 IonicContact NH2-OE2 3.07Å; R732-E745 PolarHBondContact NH2-OE2 3.05Å; L733-E745 CarbonylContact O-C 3.51Å; L733-E745 WeakPolarHBondContact O-CA 3.42Å; E745-T747 HydrophobicContact CG-CG2 4.25Å; E745-I751 CarbonylContact O-C 3.55Å; E745-I751 WeakPolarHBondContact O-CA 3.43Å; E745-T752 PolarHBondContact N-O 2.87Å; E745-T752 PolarHBondContact O-N 2.88Å; E745-P755 HydrophobicContact CB-CG 4.17Å; E745-F911 HydrophobicContact CB-CE2 4.43Å; E745-F911 HydrophobicContact CB-CZ 3.91Å
746	V	93.7	Very high	84.4	Confident	0 Å²	0	37 Å²	37	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.5	178.2	-173.8	0	0	0	0	108.3	R732 L733 L744 I751 W764 L785 V797 L813	R732-V746 CarbonylContact C-O 3.58Å; R732-V746 VanDerWaalsContact CA-O 3.27Å; R732-V746 WeakPolarHBondContact CA-O 3.46Å; L733-V746 HydrophobicContact CB-CB 4.3Å; L733-V746 PolarHBondContact N-O 2.9Å; L733-V746 PolarHBondContact O-N 3.42Å; L744-V746 HydrophobicContact CD2-CG2 4.08Å; L744-V746 HydrophobicContact CG-CG2 4.07Å; V746-I751 HydrophobicContact CG1-CG1 4.12Å; V746-I751 HydrophobicContact CG2-CG2 4.44Å; V746-W764 HydrophobicContact CG1-CH2 3.94Å; V746-W764 HydrophobicContact CG1-CZ2 3.46Å; V746-W764 VanDerWaalsContact CG1-CZ2 3.46Å; V746-L785 HydrophobicContact CB-CD2 4.4Å; V746-L785 HydrophobicContact CG1-CD2 4.09Å; V746-L785 HydrophobicContact CG2-CD2 3.41Å; V746-L785 VanDerWaalsContact CG2-CD2 3.41Å; V746-V797 HydrophobicContact CG1-CG1 3.99Å; V746-L813 HydrophobicContact CB-CD1 4.34Å; V746-L813 HydrophobicContact CG1-CD1 3.93Å; V746-L813 HydrophobicContact CG1-CD2 4.41Å; V746-L813 WeakPolarHBondContact O-CD1 3.41Å
747	T	92.1	Very high	83.4	Confident	21 Å²	21	41.5 Å²	41.5	13%	0.129	27%	0.272	C	S	.	.			trans	-126.2	162.5	174.6	64.6	0	0	0	0	109.1	R732 E745 Q749 N750 W764	R732-T747 HydrophobicContact CB-CG2 4.3Å; R732-T747 HydrophobicContact CG-CG2 4.01Å; E745-T747 HydrophobicContact CG-CG2 4.25Å; T747-Q749 PolarHBondContact O-N 2.83Å; T747-Q749 VanDerWaalsContact O-N 3.07Å; T747-N750 PolarHBondContact N-O 3.16Å; T747-N750 PolarHBondContact O-N 2.84Å; T747-N750 VanDerWaalsContact O-O 3.12Å; T747-N750 PolarHBondContact OG1-N 3.49Å; T747-N750 PolarHBondContact OG1-O 2.88Å; T747-W764 PolarHBondContact O-NE1 2.89Å
748	P	87.3	Confident	82.4	Confident	10 Å²	10	44.2 Å²	44.2	7%	0.065	30%	0.303	C	S	.	.	S	Bend	trans	-57.4	-22.2	174.8	-27.3	33.2	0	0	0	114.9	G731 W764 L799 D811 L813	G731-P748 WeakPolarHBondContact O-CD 3.3Å; P748-W764 PolarHBondContact O-NE1 3.14Å; P748-L799 HydrophobicContact CB-CD1 3.8Å; P748-D811 HydrophobicContact CB-CB 3.71Å; P748-D811 HydrophobicContact CG-CB 4.42Å; P748-D811 VanDerWaalsContact CG-O 3.31Å; P748-D811 WeakPolarHBondContact CG-O 3.27Å; P748-L813 HydrophobicContact CG-CD2 4.3Å; P748-L813 HydrophobicContact CG-CG 4.2Å
749	Q	82.9	Confident	82	Confident	116 Å²	116	40.8 Å²	40.8	54%	0.542	28%	0.284	S	S	.	.	S	Bend	trans	-91.2	-50.9	180	-62.6	73.4	24.3	0	0	110.9	T747	T747-Q749 PolarHBondContact O-N 2.83Å; T747-Q749 VanDerWaalsContact O-N 3.07Å
750	N	87	Confident	82	Confident	72 Å²	72	39.4 Å²	39.4	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.1	-164.8	-62	-12.2	0	0	0	112.1	T747 V761 F762	T747-N750 PolarHBondContact N-O 3.16Å; T747-N750 PolarHBondContact O-N 2.84Å; T747-N750 VanDerWaalsContact O-O 3.12Å; T747-N750 PolarHBondContact OG1-N 3.49Å; T747-N750 PolarHBondContact OG1-O 2.88Å; N750-V761 HydrophobicContact CB-CG1 3.69Å; N750-F762 CarbonylContact C-O 3.58Å; N750-F762 WeakPolarHBondContact CA-O 3.26Å
751	I	89	Confident	82.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	108.8	170.3	-61.4	155.2	0	0	0	106	L744 E745 V746 F762 W764 I779 L785	L744-I751 HydrophobicContact CD1-CG2 3.88Å; E745-I751 CarbonylContact O-C 3.55Å; E745-I751 WeakPolarHBondContact O-CA 3.43Å; V746-I751 HydrophobicContact CG1-CG1 4.12Å; V746-I751 HydrophobicContact CG2-CG2 4.44Å; I751-F762 HydrophobicContact CB-CB 4.21Å; I751-F762 PolarHBondContact N-O 3.15Å; I751-F762 WeakPolarHBondContact O-CD2 3.37Å; I751-F762 PolarHBondContact O-N 2.85Å; I751-W764 HydrophobicContact CD1-CD2 3.97Å; I751-W764 HydrophobicContact CD1-CE3 4.14Å; I751-W764 HydrophobicContact CD1-CG 4.46Å; I751-W764 HydrophobicContact CD1-CH2 4.47Å; I751-W764 HydrophobicContact CD1-CZ2 4.3Å; I751-W764 HydrophobicContact CD1-CZ3 4.39Å; I751-W764 HydrophobicContact CG1-CZ2 4.23Å; I751-I779 HydrophobicContact CB-CD1 4.39Å; I751-I779 HydrophobicContact CD1-CD1 4.02Å; I751-I779 HydrophobicContact CD1-CG1 4.36Å; I751-I779 HydrophobicContact CD1-CG2 3.73Å; I751-I779 HydrophobicContact CG2-CD1 4.07Å; I751-L785 HydrophobicContact CD1-CD1 4.29Å; I751-L785 HydrophobicContact CG2-CD1 4.37Å
752	T	86.6	Confident	82.4	Confident	15 Å²	15	39.6 Å²	39.6	9%	0.092	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.9	-175.2	-51	0	0	0	0	110.1	E745 P755 V761	E745-T752 PolarHBondContact N-O 2.87Å; E745-T752 PolarHBondContact O-N 2.88Å; T752-P755 HydrophobicContact CG2-CB 3.92Å; T752-V761 HydrophobicContact CG2-CG2 3.96Å
753	L	84.6	Confident	82.3	Confident	16 Å²	16	41 Å²	41	8%	0.084	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.7	171.4	-175	72.8	0	0	0	109.4	F742 L744 G759 P760 L770	F742-L753 HydrophobicContact CD2-CD1 4.09Å; F742-L753 HydrophobicContact CE2-CD1 3.49Å; F742-L753 VanDerWaalsContact CE2-CD1 3.49Å; F742-L753 HydrophobicContact CZ-CD1 4.15Å; L744-L753 HydrophobicContact CD1-CB 4.39Å; L744-L753 HydrophobicContact CD1-CD1 4.03Å; L753-G759 CarbonylContact O-C 3.6Å; L753-G759 WeakPolarHBondContact O-CA 3.39Å; L753-P760 HydrophobicContact CB-CG 3.99Å; L753-P760 HydrophobicContact CD2-CG 4.12Å; L753-P760 PolarHBondContact N-O 2.97Å; L753-L770 HydrophobicContact CD2-CD1 4.45Å
754	N	82.3	Confident	81.7	Confident	21 Å²	21	38.3 Å²	38.3	11%	0.112	26%	0.256	C	S	.	.	S	Bend	trans	45	64.2	-179.1	-55.3	-38	0	0	0	113	A741 Q743 G756 S757 G758 G759 Q772	A741-N754 PolarHBondContact O-OD1 3.3Å; Q743-N754 PolarHBondContact N-OD1 2.87Å; Q743-N754 WeakPolarHBondContact O-CA 3.38Å; Q743-N754 PolarHBondContact O-N 3.36Å; Q743-N754 PolarHBondContact O-OD1 2.8Å; N754-G756 PolarHBondContact O-N 3.48Å; N754-S757 WeakPolarHBondContact CB-OG 3.39Å; N754-S757 PolarHBondContact O-N 2.86Å; N754-S757 VanDerWaalsContact O-N 3.1Å; N754-S757 PolarHBondContact O-OG 3.28Å; N754-G758 PolarHBondContact O-N 3.08Å; N754-G759 PolarHBondContact O-N 3.08Å; N754-G759 VanDerWaalsContact O-N 3.1Å; N754-Q772 PolarHBondContact ND2-NE2 3.21Å; N754-Q772 PolarHBondContact ND2-OE1 3.41Å
755	P	77.3	Confident	80.7	Confident	40 Å²	40	46.4 Å²	46.4	26%	0.26	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-59.2	-33.7	-174.4	22.9	-32.7	0	0	0	113.1	E745 T752 S757 G758 F911	E745-P755 HydrophobicContact CB-CG 4.17Å; T752-P755 HydrophobicContact CG2-CB 3.92Å; P755-S757 VanDerWaalsContact C-N 3.26Å; P755-S757 PolarHBondContact O-N 2.91Å; P755-G758 PolarHBondContact O-N 2.86Å; P755-F911 HydrophobicContact CG-CD2 4.45Å; P755-F911 HydrophobicContact CG-CE2 3.49Å; P755-F911 VanDerWaalsContact CG-CE2 3.49Å; P755-F911 HydrophobicContact CG-CZ 3.77Å
756	G	71.2	Confident	79.3	Confident	73 Å²	73	47.9 Å²	47.9	75%	0.753	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-65.9	-21.1	178.3	0	0	0	0	0	115.2	N754	N754-G756 PolarHBondContact O-N 3.48Å
757	S	69.7	Low	78.4	Confident	97 Å²	97	52.8 Å²	52.8	68%	0.678	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-107.8	9.9	178.4	59.4	0	0	0	0	113.5	N754 P755	N754-S757 WeakPolarHBondContact CB-OG 3.39Å; N754-S757 PolarHBondContact O-N 2.86Å; N754-S757 VanDerWaalsContact O-N 3.1Å; N754-S757 PolarHBondContact O-OG 3.28Å; P755-S757 VanDerWaalsContact C-N 3.26Å; P755-S757 PolarHBondContact O-N 2.91Å
758	G	65.5	Low	77.3	Confident	69 Å²	69	52.6 Å²	52.6	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	31.5	-177.3	0	0	0	0	0	113.3	N754 P755	N754-G758 PolarHBondContact O-N 3.08Å; P755-G758 PolarHBondContact O-N 2.86Å
759	G	66.1	Low	76.4	Confident	18 Å²	18	55.3 Å²	55.3	19%	0.186	33%	0.331	C	S	.	.			trans	-68.1	176.9	-178.3	0	0	0	0	0	114.5	L753 N754	L753-G759 CarbonylContact O-C 3.6Å; L753-G759 WeakPolarHBondContact O-CA 3.39Å; N754-G759 PolarHBondContact O-N 3.08Å; N754-G759 VanDerWaalsContact O-N 3.1Å
760	P	72.3	Confident	75.9	Confident	53 Å²	53	51.1 Å²	51.1	34%	0.344	31%	0.312	S	S	.	.			trans	-67.6	138.9	-165.5	25.1	-32.3	0	0	0	112.8	L753 F762	L753-P760 HydrophobicContact CB-CG 3.99Å; L753-P760 HydrophobicContact CD2-CG 4.12Å; L753-P760 PolarHBondContact N-O 2.97Å; P760-F762 HydrophobicContact CB-CE2 3.83Å; P760-F762 HydrophobicContact CB-CZ 3.89Å; P760-F762 HydrophobicContact CG-CE2 3.88Å; P760-F762 HydrophobicContact CG-CZ 4.08Å
761	V	79.6	Confident	75.2	Confident	81 Å²	81	54.9 Å²	54.9	49%	0.491	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.4	177.2	-173.6	0	0	0	0	109.4	N750 T752	N750-V761 HydrophobicContact CB-CG1 3.69Å; T752-V761 HydrophobicContact CG2-CG2 3.96Å
762	F	80.9	Confident	74.3	Confident	39 Å²	39	57.1 Å²	57.1	17%	0.171	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.4	176.5	-55.4	-88	0	0	0	110.3	N750 I751 P760 A768 L770 I779	N750-F762 CarbonylContact C-O 3.58Å; N750-F762 WeakPolarHBondContact CA-O 3.26Å; I751-F762 HydrophobicContact CB-CB 4.21Å; I751-F762 PolarHBondContact N-O 3.15Å; I751-F762 WeakPolarHBondContact O-CD2 3.37Å; I751-F762 PolarHBondContact O-N 2.85Å; P760-F762 HydrophobicContact CB-CE2 3.83Å; P760-F762 HydrophobicContact CB-CZ 3.89Å; P760-F762 HydrophobicContact CG-CE2 3.88Å; P760-F762 HydrophobicContact CG-CZ 4.08Å; F762-A768 HydrophobicContact CD1-CB 4.18Å; F762-A768 HydrophobicContact CE1-CB 4.13Å; F762-L770 HydrophobicContact CD2-CD1 4.07Å; F762-L770 HydrophobicContact CE1-CD2 4.12Å; F762-L770 HydrophobicContact CE2-CD1 3.49Å; F762-L770 VanDerWaalsContact CE2-CD1 3.49Å; F762-L770 HydrophobicContact CE2-CD2 3.9Å; F762-L770 HydrophobicContact CE2-CG 4.31Å; F762-L770 HydrophobicContact CZ-CD1 3.95Å; F762-L770 HydrophobicContact CZ-CD2 3.43Å; F762-L770 VanDerWaalsContact CZ-CD2 3.43Å; F762-L770 HydrophobicContact CZ-CG 4.29Å; F762-I779 HydrophobicContact CB-CD1 3.5Å; F762-I779 VanDerWaalsContact CB-CD1 3.5Å; F762-I779 HydrophobicContact CD1-CD1 4.06Å; F762-I779 HydrophobicContact CD2-CD1 3.88Å; F762-I779 HydrophobicContact CG-CD1 3.53Å
763	S	84	Confident	73.4	Confident	31 Å²	31	61 Å²	61	22%	0.217	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	158.8	169.4	79.1	0	0	0	0	110.7	R765 D766	S763-R765 PolarHBondContact O-N 2.79Å; S763-R765 PolarHBondContact OG-N 3.18Å; S763-D766 WeakPolarHBondContact CA-OD2 3.31Å; S763-D766 WeakPolarHBondContact CB-OD2 3.38Å; S763-D766 PolarHBondContact N-OD2 3.12Å; S763-D766 WeakPolarHBondContact O-CB 3.47Å; S763-D766 PolarHBondContact O-N 2.73Å; S763-D766 VanDerWaalsContact OG-CG 3.31Å; S763-D766 PolarHBondContact OG-OD2 2.85Å
764	W	77.6	Confident	72.7	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.015	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-2	171.7	-68.1	95.5	0	0	0	115.2	V746 T747 P748 I751 K782 L785 V797 L799 L813	V746-W764 HydrophobicContact CG1-CH2 3.94Å; V746-W764 HydrophobicContact CG1-CZ2 3.46Å; V746-W764 VanDerWaalsContact CG1-CZ2 3.46Å; T747-W764 PolarHBondContact O-NE1 2.89Å; P748-W764 PolarHBondContact O-NE1 3.14Å; I751-W764 HydrophobicContact CD1-CD2 3.97Å; I751-W764 HydrophobicContact CD1-CE3 4.14Å; I751-W764 HydrophobicContact CD1-CG 4.46Å; I751-W764 HydrophobicContact CD1-CH2 4.47Å; I751-W764 HydrophobicContact CD1-CZ2 4.3Å; I751-W764 HydrophobicContact CD1-CZ3 4.39Å; I751-W764 HydrophobicContact CG1-CZ2 4.23Å; W764-K782 PolarHBondContact O-N 2.95Å; W764-L785 HydrophobicContact CH2-CB 4.16Å; W764-L785 HydrophobicContact CZ3-CB 4.1Å; W764-V797 HydrophobicContact CH2-CB 4.48Å; W764-V797 HydrophobicContact CH2-CG1 4.09Å; W764-L799 HydrophobicContact CB-CD2 3.76Å; W764-L799 HydrophobicContact CD2-CB 3.81Å; W764-L799 HydrophobicContact CD2-CD2 3.78Å; W764-L799 HydrophobicContact CD2-CG 4.28Å; W764-L799 HydrophobicContact CE3-CB 3.76Å; W764-L799 HydrophobicContact CE3-CD2 4.38Å; W764-L799 HydrophobicContact CG-CB 4.45Å; W764-L799 HydrophobicContact CG-CD2 3.49Å; W764-L799 VanDerWaalsContact CG-CD2 3.49Å; W764-L799 HydrophobicContact CG-CG 4.45Å; W764-L799 HydrophobicContact CH2-CB 4.05Å; W764-L799 HydrophobicContact CZ2-CB 4.1Å; W764-L799 HydrophobicContact CZ3-CB 3.89Å; W764-L813 HydrophobicContact CH2-CD2 4.17Å; W764-L813 HydrophobicContact CZ2-CD2 3.52Å
765	R	71.1	Confident	72.4	Confident	170 Å²	170	60.1 Å²	60.1	64%	0.642	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.8	173	-62.5	179.4	177	-176.5	-2	112.3	S763 K781	S763-R765 PolarHBondContact O-N 2.79Å; S763-R765 PolarHBondContact OG-N 3.18Å; R765-K781 WeakPolarHBondContact O-CG 3.38Å
766	D	64.8	Low	72.5	Confident	59 Å²	59	58.8 Å²	58.8	32%	0.316	34%	0.342	S	S	.	.			trans	-83	155.8	-179.4	-58.7	-45.2	0	0	0	110.4	S763 K781	S763-D766 WeakPolarHBondContact CA-OD2 3.31Å; S763-D766 WeakPolarHBondContact CB-OD2 3.38Å; S763-D766 PolarHBondContact N-OD2 3.12Å; S763-D766 WeakPolarHBondContact O-CB 3.47Å; S763-D766 PolarHBondContact O-N 2.73Å; S763-D766 VanDerWaalsContact OG-CG 3.31Å; S763-D766 PolarHBondContact OG-OD2 2.85Å; D766-K781 WeakPolarHBondContact O-CA 3.47Å
767	Q	74.1	Confident	73	Confident	104 Å²	104	55.3 Å²	55.3	49%	0.486	31%	0.307	S	S	.	.			trans	-122	117.2	169.7	-174.8	169.5	-23.1	0	0	106	I779 K781	Q767-I779 VanDerWaalsContact CA-O 3.31Å; Q767-I779 WeakPolarHBondContact CA-O 3.43Å; Q767-K781 HydrophobicContact CB-CB 4.17Å
768	A	70	Confident	73.5	Confident	17 Å²	17	52.1 Å²	52.1	14%	0.14	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	147.2	-174.1	0	0	0	0	0	109.7	F762 L770 T778 I779	F762-A768 HydrophobicContact CD1-CB 4.18Å; F762-A768 HydrophobicContact CE1-CB 4.13Å; A768-L770 HydrophobicContact CB-CD2 4.44Å; A768-T778 CarbonylContact O-C 3.41Å; A768-I779 HydrophobicContact CB-CB 4.24Å; A768-I779 HydrophobicContact CB-CD1 4.01Å; A768-I779 HydrophobicContact CB-CG1 4.12Å; A768-I779 PolarHBondContact N-O 3.16Å; A768-I779 VanDerWaalsContact N-O 3.09Å; A768-I779 WeakPolarHBondContact O-CA 3.42Å; A768-I779 PolarHBondContact O-N 2.86Å
769	M	68.6	Low	74.2	Confident	67 Å²	67	48.9 Å²	48.9	33%	0.33	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	115.1	168.3	-172	179.3	-173.3	0	0	107	A108 I110 V776 V777	A108-M769 HydrophobicContact CB-CB 4.44Å; A108-M769 WeakPolarHBondContact CB-O 3.45Å; I110-M769 HydrophobicContact CD1-CB 3.95Å; M769-V776 HydrophobicContact CE-CG1 3.28Å; M769-V776 HydrophobicContact CG-CG1 4.18Å; M769-V777 CarbonylContact C-O 3.59Å; M769-V777 WeakPolarHBondContact CA-O 3.33Å
770	L	71.8	Confident	74.4	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.4	-178.7	-44.4	168.5	0	0	0	107.2	L753 F762 A768 V776 V777 I779	L753-L770 HydrophobicContact CD2-CD1 4.45Å; F762-L770 HydrophobicContact CD2-CD1 4.07Å; F762-L770 HydrophobicContact CE1-CD2 4.12Å; F762-L770 HydrophobicContact CE2-CD1 3.49Å; F762-L770 VanDerWaalsContact CE2-CD1 3.49Å; F762-L770 HydrophobicContact CE2-CD2 3.9Å; F762-L770 HydrophobicContact CE2-CG 4.31Å; F762-L770 HydrophobicContact CZ-CD1 3.95Å; F762-L770 HydrophobicContact CZ-CD2 3.43Å; F762-L770 VanDerWaalsContact CZ-CD2 3.43Å; F762-L770 HydrophobicContact CZ-CG 4.29Å; A768-L770 HydrophobicContact CB-CD2 4.44Å; L770-V776 CarbonylContact O-C 3.48Å; L770-V776 WeakPolarHBondContact O-CA 3.15Å; L770-V777 HydrophobicContact CB-CB 4.13Å; L770-V777 HydrophobicContact CD1-CB 4.36Å; L770-V777 HydrophobicContact CD1-CG1 4.34Å; L770-V777 PolarHBondContact N-O 2.82Å; L770-V777 PolarHBondContact O-N 3.23Å; L770-I779 HydrophobicContact CD1-CD1 4.48Å
771	R	71.6	Confident	74.4	Confident	150 Å²	150	52.6 Å²	52.6	57%	0.566	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	118.3	173.5	-177.6	177.1	-67.2	-149.8	-0.6	108.4	V775 V776	R771-V775 WeakPolarHBondContact CA-O 3.45Å; R771-V776 HydrophobicContact CB-CG2 4.49Å; R771-V776 HydrophobicContact CG-CG2 4.01Å
772	Q	71.3	Confident	73.6	Confident	47 Å²	47	55.7 Å²	55.7	22%	0.22	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	123.9	177.3	-179.5	176.9	-11.8	0	0	109.3	F742 N754 G774 V775	F742-Q772 HydrophobicContact CD2-CB 3.97Å; F742-Q772 HydrophobicContact CD2-CG 4.15Å; F742-Q772 HydrophobicContact CE2-CB 4.34Å; N754-Q772 PolarHBondContact ND2-NE2 3.21Å; N754-Q772 PolarHBondContact ND2-OE1 3.41Å; Q772-G774 VanDerWaalsContact C-N 3.3Å; Q772-G774 PolarHBondContact O-N 2.83Å; Q772-G774 VanDerWaalsContact O-N 3.12Å; Q772-V775 PolarHBondContact N-O 2.82Å; Q772-V775 PolarHBondContact O-N 3.1Å
773	D	67.6	Low	72.8	Confident	98 Å²	98	61.4 Å²	61.4	52%	0.524	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	48.2	168.4	-53.3	-46.8	0	0	0	115.3	T740 V775	T740-D773 VanDerWaalsContact CB-CB 3.44Å; T740-D773 HydrophobicContact CG2-CB 3.71Å; D773-V775 VanDerWaalsContact C-N 3.32Å; D773-V775 PolarHBondContact O-N 2.85Å
774	G	68.6	Low	72.6	Confident	18 Å²	18	61 Å²	61	19%	0.186	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	12.7	178.5	0	0	0	0	0	115.7	Q772 V789 D790	Q772-G774 VanDerWaalsContact C-N 3.3Å; Q772-G774 PolarHBondContact O-N 2.83Å; Q772-G774 VanDerWaalsContact O-N 3.12Å; G774-V789 CarbonylContact O-C 3.58Å; G774-V789 WeakPolarHBondContact O-CA 3.31Å; G774-D790 WeakPolarHBondContact CA-OD2 3.07Å; G774-D790 PolarHBondContact O-N 3.25Å
775	V	76.7	Confident	73.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127	166.8	-172.6	0	0	0	0	109.2	F742 R771 Q772 D773 V777 V787 S788 V789	F742-V775 HydrophobicContact CD1-CB 4.39Å; F742-V775 HydrophobicContact CD1-CG1 4.42Å; F742-V775 HydrophobicContact CD1-CG2 4.15Å; F742-V775 HydrophobicContact CD2-CB 4.34Å; F742-V775 HydrophobicContact CE1-CB 4.19Å; F742-V775 HydrophobicContact CE1-CG1 3.77Å; F742-V775 HydrophobicContact CE1-CG2 4.31Å; F742-V775 HydrophobicContact CE2-CB 4.11Å; F742-V775 HydrophobicContact CE2-CG1 4.13Å; F742-V775 HydrophobicContact CG-CB 4.46Å; F742-V775 HydrophobicContact CG-CG2 4.36Å; F742-V775 HydrophobicContact CZ-CB 4.03Å; F742-V775 HydrophobicContact CZ-CG1 3.59Å; R771-V775 WeakPolarHBondContact CA-O 3.45Å; Q772-V775 PolarHBondContact N-O 2.82Å; Q772-V775 PolarHBondContact O-N 3.1Å; D773-V775 VanDerWaalsContact C-N 3.32Å; D773-V775 PolarHBondContact O-N 2.85Å; V775-V777 HydrophobicContact CG1-CG2 4.16Å; V775-V787 HydrophobicContact CG1-CG1 3.56Å; V775-S788 CarbonylContact C-O 3.6Å; V775-S788 WeakPolarHBondContact CA-O 3.26Å; V775-V789 HydrophobicContact CG2-CG2 4.4Å
776	V	80	Confident	73.7	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	176.6	180	0	0	0	0	108.4	M769 L770 R771 V787 S788	M769-V776 HydrophobicContact CE-CG1 3.28Å; M769-V776 HydrophobicContact CG-CG1 4.18Å; L770-V776 CarbonylContact O-C 3.48Å; L770-V776 WeakPolarHBondContact O-CA 3.15Å; R771-V776 HydrophobicContact CB-CG2 4.49Å; R771-V776 HydrophobicContact CG-CG2 4.01Å; V776-V787 CarbonylContact O-C 3.5Å; V776-V787 VanDerWaalsContact O-CA 3.29Å; V776-V787 WeakPolarHBondContact O-CA 3.09Å; V776-S788 PolarHBondContact N-O 2.79Å; V776-S788 PolarHBondContact O-N 2.71Å
777	V	82.3	Confident	74.8	Confident	1 Å²	1	51 Å²	51	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.8	180	-178.5	0	0	0	0	109.1	F742 L744 M769 L770 V775 L785 V786 V787	F742-V777 HydrophobicContact CE2-CG2 4.25Å; F742-V777 HydrophobicContact CZ-CG2 3.79Å; L744-V777 HydrophobicContact CD1-CG1 4.42Å; L744-V777 HydrophobicContact CD2-CB 4.49Å; L744-V777 HydrophobicContact CD2-CG1 3.8Å; L744-V777 HydrophobicContact CD2-CG2 3.83Å; M769-V777 CarbonylContact C-O 3.59Å; M769-V777 WeakPolarHBondContact CA-O 3.33Å; L770-V777 HydrophobicContact CB-CB 4.13Å; L770-V777 HydrophobicContact CD1-CB 4.36Å; L770-V777 HydrophobicContact CD1-CG1 4.34Å; L770-V777 PolarHBondContact N-O 2.82Å; L770-V777 PolarHBondContact O-N 3.23Å; V775-V777 HydrophobicContact CG1-CG2 4.16Å; V777-L785 HydrophobicContact CG1-CD1 3.35Å; V777-L785 HydrophobicContact CG1-CG 4.15Å; V777-V786 CarbonylContact C-O 3.59Å; V777-V786 WeakPolarHBondContact CA-O 3.23Å; V777-V787 HydrophobicContact CG1-CG2 4.27Å; V777-V787 HydrophobicContact CG2-CG1 4.29Å; V777-V787 HydrophobicContact CG2-CG2 4.26Å
778	T	78.8	Confident	75.2	Confident	30 Å²	30	47.7 Å²	47.7	18%	0.184	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	106.9	177.9	-53.5	0	0	0	0	110	A768 L785 V786	A768-T778 CarbonylContact O-C 3.41Å; T778-L785 CarbonylContact O-C 3.53Å; T778-L785 WeakPolarHBondContact O-CA 3.4Å; T778-V786 PolarHBondContact N-O 3.33Å; T778-V786 PolarHBondContact O-N 3.01Å
779	I	80.9	Confident	75.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.5	171	-42.8	-172.3	0	0	0	108.6	I751 F762 Q767 A768 L770 L785	I751-I779 HydrophobicContact CB-CD1 4.39Å; I751-I779 HydrophobicContact CD1-CD1 4.02Å; I751-I779 HydrophobicContact CD1-CG1 4.36Å; I751-I779 HydrophobicContact CD1-CG2 3.73Å; I751-I779 HydrophobicContact CG2-CD1 4.07Å; F762-I779 HydrophobicContact CB-CD1 3.5Å; F762-I779 VanDerWaalsContact CB-CD1 3.5Å; F762-I779 HydrophobicContact CD1-CD1 4.06Å; F762-I779 HydrophobicContact CD2-CD1 3.88Å; F762-I779 HydrophobicContact CG-CD1 3.53Å; Q767-I779 VanDerWaalsContact CA-O 3.31Å; Q767-I779 WeakPolarHBondContact CA-O 3.43Å; A768-I779 HydrophobicContact CB-CB 4.24Å; A768-I779 HydrophobicContact CB-CD1 4.01Å; A768-I779 HydrophobicContact CB-CG1 4.12Å; A768-I779 PolarHBondContact N-O 3.16Å; A768-I779 VanDerWaalsContact N-O 3.09Å; A768-I779 WeakPolarHBondContact O-CA 3.42Å; A768-I779 PolarHBondContact O-N 2.86Å; L770-I779 HydrophobicContact CD1-CD1 4.48Å; I779-L785 HydrophobicContact CB-CD1 4.22Å; I779-L785 HydrophobicContact CD1-CD1 4.48Å; I779-L785 HydrophobicContact CG1-CD1 3.59Å
780	N	70.1	Confident	75.7	Confident	47 Å²	47	49.5 Å²	49.5	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	174.5	-60.9	-53.2	0	0	0	110.2	K782 R783 N784	N780-K782 PolarHBondContact O-N 3.02Å; N780-R783 HydrophobicContact CB-CB 4.2Å; N780-R783 PolarHBondContact O-N 3.34Å; N780-N784 WeakPolarHBondContact CA-O 3.48Å; N780-N784 WeakPolarHBondContact CB-O 3.35Å; N780-N784 WeakPolarHBondContact CB-OD1 3.47Å; N780-N784 PolarHBondContact N-O 3.1Å; N780-N784 PolarHBondContact ND2-OD1 3.19Å; N780-N784 PolarHBondContact O-N 3.42Å
781	K	73.1	Confident	75.1	Confident	103 Å²	103	54.4 Å²	54.4	45%	0.448	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	121.5	-176.5	176	172.6	-174.6	-176.6	0	112.9	R765 D766 Q767 R783	R765-K781 WeakPolarHBondContact O-CG 3.38Å; D766-K781 WeakPolarHBondContact O-CA 3.47Å; Q767-K781 HydrophobicContact CB-CB 4.17Å; K781-R783 PolarHBondContact O-N 3.25Å; K781-R783 VanDerWaalsContact O-N 3.09Å
782	K	61	Low	75	Confident	146 Å²	146	48 Å²	48	64%	0.635	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	16.5	177.3	-56.5	179.5	176.6	-174.2	0	114.9	W764 N780	W764-K782 PolarHBondContact O-N 2.95Å; N780-K782 PolarHBondContact O-N 3.02Å
783	R	65.7	Low	75.3	Confident	159 Å²	159	45.8 Å²	45.8	60%	0.6	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-72.5	-178.7	-71.7	-171.7	-178.8	-166	1.1	111.5	N780 K781	N780-R783 HydrophobicContact CB-CB 4.2Å; N780-R783 PolarHBondContact O-N 3.34Å; K781-R783 PolarHBondContact O-N 3.25Å; K781-R783 VanDerWaalsContact O-N 3.09Å
784	N	79.7	Confident	76.1	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	169.5	-167.5	60.5	-14.5	0	0	0	110.4	N780 E796 V797 V798	N780-N784 WeakPolarHBondContact CA-O 3.48Å; N780-N784 WeakPolarHBondContact CB-O 3.35Å; N780-N784 WeakPolarHBondContact CB-OD1 3.47Å; N780-N784 PolarHBondContact N-O 3.1Å; N780-N784 PolarHBondContact ND2-OD1 3.19Å; N780-N784 PolarHBondContact O-N 3.42Å; N784-E796 HydrophobicContact CB-CG 3.99Å; N784-E796 WeakPolarHBondContact CB-OE1 3.35Å; N784-E796 PolarHBondContact ND2-OE1 3.22Å; N784-V797 CarbonylContact C-O 3.52Å; N784-V797 WeakPolarHBondContact CA-O 3.44Å; N784-V798 HydrophobicContact CB-CG2 4.24Å
785	L	87.6	Confident	77	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.6	171.3	173.8	79.4	0	0	0	107.1	L744 V746 I751 W764 V777 T778 I779 V787 E796 V797	L744-L785 HydrophobicContact CD2-CD2 4.17Å; V746-L785 HydrophobicContact CB-CD2 4.4Å; V746-L785 HydrophobicContact CG1-CD2 4.09Å; V746-L785 HydrophobicContact CG2-CD2 3.41Å; V746-L785 VanDerWaalsContact CG2-CD2 3.41Å; I751-L785 HydrophobicContact CD1-CD1 4.29Å; I751-L785 HydrophobicContact CG2-CD1 4.37Å; W764-L785 HydrophobicContact CH2-CB 4.16Å; W764-L785 HydrophobicContact CZ3-CB 4.1Å; V777-L785 HydrophobicContact CG1-CD1 3.35Å; V777-L785 HydrophobicContact CG1-CG 4.15Å; T778-L785 CarbonylContact O-C 3.53Å; T778-L785 WeakPolarHBondContact O-CA 3.4Å; I779-L785 HydrophobicContact CB-CD1 4.22Å; I779-L785 HydrophobicContact CD1-CD1 4.48Å; I779-L785 HydrophobicContact CG1-CD1 3.59Å; L785-V787 HydrophobicContact CD2-CG2 4.26Å; L785-V787 HydrophobicContact CG-CG2 4.25Å; L785-E796 CarbonylContact O-C 3.41Å; L785-E796 WeakPolarHBondContact O-CA 3.47Å; L785-V797 HydrophobicContact CB-CB 4.11Å; L785-V797 HydrophobicContact CD2-CB 4.16Å; L785-V797 HydrophobicContact CD2-CG2 4.08Å; L785-V797 PolarHBondContact N-O 3.29Å; L785-V797 PolarHBondContact O-N 3.29Å
786	V	84.1	Confident	77.5	Confident	23 Å²	23	42.1 Å²	42.1	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.6	176.9	-178.6	0	0	0	0	109	V777 T778 T794 F795 E796	V777-V786 CarbonylContact C-O 3.59Å; V777-V786 WeakPolarHBondContact CA-O 3.23Å; T778-V786 PolarHBondContact N-O 3.33Å; T778-V786 PolarHBondContact O-N 3.01Å; V786-T794 HydrophobicContact CG1-CG2 3.57Å; V786-F795 CarbonylContact C-O 3.5Å; V786-F795 WeakPolarHBondContact CA-O 3.43Å; V786-E796 HydrophobicContact CG2-CG 4.48Å
787	V	87.3	Confident	77.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.4	177.7	-175.7	0	0	0	0	108.7	I735 L744 V775 V776 V777 L785 T794 F795	I735-V787 HydrophobicContact CD1-CB 4.34Å; I735-V787 HydrophobicContact CD1-CG1 4.43Å; I735-V787 HydrophobicContact CD1-CG2 3.84Å; I735-V787 HydrophobicContact CG2-CG1 4.45Å; L744-V787 HydrophobicContact CD2-CG2 4.02Å; V775-V787 HydrophobicContact CG1-CG1 3.56Å; V776-V787 CarbonylContact O-C 3.5Å; V776-V787 VanDerWaalsContact O-CA 3.29Å; V776-V787 WeakPolarHBondContact O-CA 3.09Å; V777-V787 HydrophobicContact CG1-CG2 4.27Å; V777-V787 HydrophobicContact CG2-CG1 4.29Å; V777-V787 HydrophobicContact CG2-CG2 4.26Å; L785-V787 HydrophobicContact CD2-CG2 4.26Å; L785-V787 HydrophobicContact CG-CG2 4.25Å; V787-T794 WeakPolarHBondContact O-CA 3.42Å; V787-F795 PolarHBondContact N-O 2.86Å; V787-F795 PolarHBondContact O-N 3.37Å
788	S	82.9	Confident	78	Confident	35 Å²	35	41.6 Å²	41.6	25%	0.245	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.6	176.5	-63.7	0	0	0	0	110	V775 V776 T794	V775-S788 CarbonylContact C-O 3.6Å; V775-S788 WeakPolarHBondContact CA-O 3.26Å; V776-S788 PolarHBondContact N-O 2.79Å; V776-S788 PolarHBondContact O-N 2.71Å; S788-T794 VanDerWaalsContact OG-CG2 3.3Å; S788-T794 WeakPolarHBondContact OG-CG2 3.4Å; S788-T794 PolarHBondContact OG-OG1 2.66Å; S788-T794 VanDerWaalsContact OG-OG1 3.06Å
789	V	80.6	Confident	78.3	Confident	22 Å²	22	41.2 Å²	41.2	13%	0.133	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.6	172.6	-173.1	0	0	0	0	107.5	F708 G774 V775 D791 G792 G793 F795	F708-V789 HydrophobicContact CD2-CG2 3.73Å; F708-V789 HydrophobicContact CE2-CG2 3.48Å; F708-V789 VanDerWaalsContact CE2-CG2 3.48Å; F708-V789 HydrophobicContact CG-CG2 4.36Å; F708-V789 HydrophobicContact CZ-CG2 3.93Å; G774-V789 CarbonylContact O-C 3.58Å; G774-V789 WeakPolarHBondContact O-CA 3.31Å; V775-V789 HydrophobicContact CG2-CG2 4.4Å; V789-D791 VanDerWaalsContact C-N 3.32Å; V789-D791 PolarHBondContact O-N 3.28Å; V789-G792 PolarHBondContact O-N 3.06Å; V789-G793 PolarHBondContact N-O 3.19Å; V789-F795 HydrophobicContact CG2-CE2 4.29Å
790	D	67.4	Low	78.2	Confident	100 Å²	100	41.3 Å²	41.3	54%	0.535	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-30.5	-56.2	-165.3	-85.8	-6.6	0	0	0	115	G774	G774-D790 WeakPolarHBondContact CA-OD2 3.07Å; G774-D790 PolarHBondContact O-N 3.25Å
791	D	60.3	Low	78.4	Confident	132 Å²	132	43 Å²	43	71%	0.706	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	12.4	-177.9	-72.6	-40.3	0	0	0	113.8	V789 R822	V789-D791 VanDerWaalsContact C-N 3.32Å; V789-D791 PolarHBondContact O-N 3.28Å; D791-R822 WeakPolarHBondContact O-CB 3.28Å
792	G	69.8	Low	78.1	Confident	15 Å²	15	39.1 Å²	39.1	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-109.9	-108.3	-173.3	0	0	0	0	0	113.6	V789 R822	V789-G792 PolarHBondContact O-N 3.06Å; G792-R822 VanDerWaalsContact O-CB 3.31Å; G792-R822 WeakPolarHBondContact O-CB 3.38Å
793	G	76.8	Confident	77.7	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.01	19%	0.191	C	C	.	.			trans	-121.4	162.3	-176.4	0	0	0	0	0	113.2	V789 D819 M823	V789-G793 PolarHBondContact N-O 3.19Å; G793-D819 CarbonylContact C-O 3.59Å; G793-D819 WeakPolarHBondContact CA-O 3.07Å; G793-M823 PolarHBondContact N-SD 2.78Å
794	T	83.8	Confident	76.8	Confident	33 Å²	33	38.4 Å²	38.4	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.5	170.8	-62.1	0	0	0	0	109.9	V786 V787 S788 L818 D819	V786-T794 HydrophobicContact CG1-CG2 3.57Å; V787-T794 WeakPolarHBondContact O-CA 3.42Å; S788-T794 VanDerWaalsContact OG-CG2 3.3Å; S788-T794 WeakPolarHBondContact OG-CG2 3.4Å; S788-T794 PolarHBondContact OG-OG1 2.66Å; S788-T794 VanDerWaalsContact OG-OG1 3.06Å; T794-L818 HydrophobicContact CG2-CB 4.19Å; T794-L818 HydrophobicContact CG2-CD1 4.12Å; T794-L818 WeakPolarHBondContact O-CB 3.25Å; T794-L818 PolarHBondContact O-N 2.78Å; T794-D819 PolarHBondContact N-O 3.03Å; T794-D819 PolarHBondContact O-N 2.96Å
795	F	88.3	Confident	75.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.2	-175.8	-49.7	-79.7	0	0	0	109.9	V701 F708 V786 V787 V789 F815 Y816 V817 M823 F835	V701-F795 HydrophobicContact CG2-CE1 4.49Å; F708-F795 HydrophobicContact CD1-CE2 4.32Å; F708-F795 HydrophobicContact CD1-CZ 4.48Å; F708-F795 HydrophobicContact CE1-CD2 4.04Å; F708-F795 AromaticContact CE1-CE2 3.32Å; F708-F795 HydrophobicContact CE1-CE2 3.32Å; F708-F795 AromaticContact CE1-CZ 3.63Å; F708-F795 HydrophobicContact CE1-CZ 3.63Å; F708-F795 HydrophobicContact CE2-CE2 4.49Å; F708-F795 AromaticContact CZ-CD2 3.76Å; F708-F795 HydrophobicContact CZ-CD2 3.76Å; F708-F795 AromaticContact CZ-CE2 3.43Å; F708-F795 HydrophobicContact CZ-CE2 3.43Å; F708-F795 VanDerWaalsContact CZ-CE2 3.43Å; F708-F795 HydrophobicContact CZ-CZ 4.2Å; V786-F795 CarbonylContact C-O 3.5Å; V786-F795 WeakPolarHBondContact CA-O 3.43Å; V787-F795 PolarHBondContact N-O 2.86Å; V787-F795 PolarHBondContact O-N 3.37Å; V789-F795 HydrophobicContact CG2-CE2 4.29Å; F795-F815 HydrophobicContact CB-CE2 3.78Å; F795-F815 HydrophobicContact CB-CZ 3.97Å; F795-F815 HydrophobicContact CD1-CE1 4.4Å; F795-F815 HydrophobicContact CD1-CE2 4.29Å; F795-F815 AromaticContact CD1-CZ 3.6Å; F795-F815 HydrophobicContact CD1-CZ 3.6Å; F795-F815 HydrophobicContact CE1-CZ 4.4Å; F795-F815 HydrophobicContact CG-CE2 4.24Å; F795-F815 AromaticContact CG-CZ 3.98Å; F795-F815 HydrophobicContact CG-CZ 3.98Å; F795-Y816 CarbonylContact C-O 3.52Å; F795-Y816 WeakPolarHBondContact CA-O 3.25Å; F795-V817 HydrophobicContact CD1-CB 4.48Å; F795-V817 HydrophobicContact CD1-CG1 4.23Å; F795-V817 HydrophobicContact CD1-CG2 4.11Å; F795-V817 HydrophobicContact CE1-CG1 4.13Å; F795-V817 HydrophobicContact CE1-CG2 4.35Å; F795-M823 HydrophobicContact CZ-CE 4.23Å; F795-M823 HydrophobicContact CZ-SD 4.08Å; F795-F835 AromaticContact CE1-CE2 3.94Å; F795-F835 HydrophobicContact CE1-CE2 3.94Å; F795-F835 AromaticContact CE1-CZ 3.97Å; F795-F835 HydrophobicContact CE1-CZ 3.97Å; F795-F835 HydrophobicContact CZ-CE2 4.35Å
796	E	87.3	Confident	73.4	Confident	5 Å²	5	41.8 Å²	41.8	2%	0.023	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.9	179.3	-178.2	-174.8	-171	0	0	110.2	N784 L785 V786 V798 Y816 L818	N784-E796 HydrophobicContact CB-CG 3.99Å; N784-E796 WeakPolarHBondContact CB-OE1 3.35Å; N784-E796 PolarHBondContact ND2-OE1 3.22Å; L785-E796 CarbonylContact O-C 3.41Å; L785-E796 WeakPolarHBondContact O-CA 3.47Å; V786-E796 HydrophobicContact CG2-CG 4.48Å; E796-V798 HydrophobicContact CG-CG2 4.05Å; E796-Y816 PolarHBondContact N-O 2.78Å; E796-Y816 PolarHBondContact O-N 3.09Å; E796-L818 HydrophobicContact CB-CD1 3.8Å; E796-L818 HydrophobicContact CB-CD2 4.35Å; E796-L818 HydrophobicContact CB-CG 3.87Å; E796-L818 WeakPolarHBondContact OE2-CD2 3.38Å
797	V	89.1	Confident	71.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.6	170.5	-171	0	0	0	0	109.2	L733 V746 W764 N784 L785 L813 G814 F815	L733-V797 HydrophobicContact CD1-CB 4.38Å; L733-V797 HydrophobicContact CD1-CG1 3.53Å; L733-V797 HydrophobicContact CD1-CG2 3.92Å; V746-V797 HydrophobicContact CG1-CG1 3.99Å; W764-V797 HydrophobicContact CH2-CB 4.48Å; W764-V797 HydrophobicContact CH2-CG1 4.09Å; N784-V797 CarbonylContact C-O 3.52Å; N784-V797 WeakPolarHBondContact CA-O 3.44Å; L785-V797 HydrophobicContact CB-CB 4.11Å; L785-V797 HydrophobicContact CD2-CB 4.16Å; L785-V797 HydrophobicContact CD2-CG2 4.08Å; L785-V797 PolarHBondContact N-O 3.29Å; L785-V797 PolarHBondContact O-N 3.29Å; V797-L813 HydrophobicContact CG1-CB 4.19Å; V797-L813 HydrophobicContact CG1-CD1 4.47Å; V797-L813 HydrophobicContact CG1-CD2 4.3Å; V797-G814 CarbonylContact C-O 3.48Å; V797-G814 VanDerWaalsContact CA-O 3.25Å; V797-G814 WeakPolarHBondContact CA-O 3.32Å; V797-G814 WeakPolarHBondContact CG1-O 3.23Å; V797-F815 HydrophobicContact CG2-CD2 4.12Å
798	V	84.6	Confident	70.2	Confident	1 Å²	1	48 Å²	48	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.8	179.8	-178.7	0	0	0	0	109.5	N784 E796 L813 G814 Y816 P879	N784-V798 HydrophobicContact CB-CG2 4.24Å; E796-V798 HydrophobicContact CG-CG2 4.05Å; V798-L813 CarbonylContact O-C 3.5Å; V798-L813 WeakPolarHBondContact O-CA 3.46Å; V798-G814 PolarHBondContact N-O 2.92Å; V798-G814 PolarHBondContact O-N 2.97Å; V798-Y816 HydrophobicContact CB-CD2 4.47Å; V798-Y816 HydrophobicContact CB-CE2 3.98Å; V798-Y816 HydrophobicContact CG2-CD2 3.81Å; V798-Y816 HydrophobicContact CG2-CE2 3.69Å; V798-P879 HydrophobicContact CG1-CB 4.1Å
799	L	85.1	Confident	69.3	Low	23 Å²	23	48.9 Å²	48.9	12%	0.12	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.8	172.7	176	66.1	0	0	0	110.5	P748 W764 R801 L813	P748-L799 HydrophobicContact CB-CD1 3.8Å; W764-L799 HydrophobicContact CB-CD2 3.76Å; W764-L799 HydrophobicContact CD2-CB 3.81Å; W764-L799 HydrophobicContact CD2-CD2 3.78Å; W764-L799 HydrophobicContact CD2-CG 4.28Å; W764-L799 HydrophobicContact CE3-CB 3.76Å; W764-L799 HydrophobicContact CE3-CD2 4.38Å; W764-L799 HydrophobicContact CG-CB 4.45Å; W764-L799 HydrophobicContact CG-CD2 3.49Å; W764-L799 VanDerWaalsContact CG-CD2 3.49Å; W764-L799 HydrophobicContact CG-CG 4.45Å; W764-L799 HydrophobicContact CH2-CB 4.05Å; W764-L799 HydrophobicContact CZ2-CB 4.1Å; W764-L799 HydrophobicContact CZ3-CB 3.89Å; L799-R801 HydrophobicContact CD2-CG 3.98Å; L799-R801 VanDerWaalsContact CD2-NE 3.34Å; L799-R801 HydrophobicContact CG-CG 4.06Å; L799-L813 HydrophobicContact CD1-CD2 3.94Å
800	H	78.4	Confident	68.9	Low	2 Å²	2	50.9 Å²	50.9	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.8	171.4	-63.6	-73.9	0	0	0	110.4	D811 F812 Y875	H800-D811 WeakPolarHBondContact O-CA 3.37Å; H800-F812 HydrophobicContact CB-CD1 3.91Å; H800-F812 HydrophobicContact CB-CD2 4.01Å; H800-F812 HydrophobicContact CB-CE1 3.49Å; H800-F812 VanDerWaalsContact CB-CE1 3.49Å; H800-F812 HydrophobicContact CB-CE2 3.63Å; H800-F812 HydrophobicContact CB-CG 4.14Å; H800-F812 HydrophobicContact CB-CZ 3.34Å; H800-F812 AromaticContact CD2-CD2 3.85Å; H800-F812 AromaticContact CD2-CE2 3.31Å; H800-F812 WeakPolarHBondContact CD2-CE2 3.47Å; H800-F812 AromaticContact CD2-CZ 3.83Å; H800-F812 AromaticContact CG-CE2 3.54Å; H800-F812 AromaticContact CG-CZ 3.54Å; H800-F812 PolarHBondContact N-O 2.87Å; H800-F812 PolarHBondContact O-N 2.92Å; H800-F812 VanDerWaalsContact O-N 3.17Å; H800-Y875 AromaticContact CE1-CD1 3.67Å; H800-Y875 AromaticContact CE1-CD2 3.76Å; H800-Y875 AromaticContact CE1-CG 3.47Å; H800-Y875 VanDerWaalsContact CE1-CG 3.47Å
801	R	74	Confident	69.6	Low	83 Å²	83	48.6 Å²	48.6	31%	0.313	26%	0.263	S	S	.	.			trans	-106.2	127.8	-179.2	-69.2	-167.2	-178.5	172.2	2	111.9	T667 L799 D811	T667-R801 PolarHBondContact N-O 3.48Å; T667-R801 PolarHBondContact OG1-O 3.15Å; L799-R801 HydrophobicContact CD2-CG 3.98Å; L799-R801 VanDerWaalsContact CD2-NE 3.34Å; L799-R801 HydrophobicContact CG-CG 4.06Å; R801-D811 WeakPolarHBondContact CA-OD1 2.91Å
802	V	66.4	Low	70.8	Confident	20 Å²	20	43.3 Å²	43.3	12%	0.121	23%	0.234	C	C	.	.			trans	-93.1	148.7	177.4	-178.8	0	0	0	0	109.4	V669 K804 H809 Q810 D811	V669-V802 HydrophobicContact CG2-CG2 4.18Å; V802-K804 PolarHBondContact O-N 3.1Å; V802-H809 HydrophobicContact CB-CB 4.46Å; V802-H809 HydrophobicContact CG1-CB 3.75Å; V802-H809 HydrophobicContact CG2-CB 3.92Å; V802-Q810 WeakPolarHBondContact CG2-O 3.39Å; V802-D811 PolarHBondContact N-OD1 2.75Å
803	W	52.5	Low	71.6	Confident	152 Å²	152	42.7 Å²	42.7	58%	0.576	23%	0.227	S	C	*	.			trans	-55.8	131.9	177.6	-168.8	70	0	0	0	112.2	V666 G805 S806	V666-W803 HydrophobicContact CG1-CB 4.19Å; V666-W803 HydrophobicContact CG2-CB 3.58Å; V666-W803 VanDerWaalsContact CG2-CD1 3.41Å; V666-W803 HydrophobicContact CG2-CG 3.84Å; W803-G805 PolarHBondContact O-N 3.1Å; W803-S806 PolarHBondContact O-N 2.89Å; W803-S806 VanDerWaalsContact O-N 3.07Å
804	K	46.2	Very low	72.1	Confident	139 Å²	139	43 Å²	43	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	97.4	174	-86.2	-172.6	173.8	-176.8	0	110.1	V802	V802-K804 PolarHBondContact O-N 3.1Å
805	G	43.9	Very low	72.4	Confident	60 Å²	60	42.5 Å²	42.5	62%	0.619	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	137.7	-6.5	-176.6	0	0	0	0	0	113.8	W803 S807	W803-G805 PolarHBondContact O-N 3.1Å; G805-S807 PolarHBondContact O-N 2.7Å
806	S	51.7	Low	72.3	Confident	32 Å²	32	44 Å²	44	22%	0.224	23%	0.232	C	C	.	.			trans	-60.8	121.3	172.1	-174.4	0	0	0	0	110.8	W803 V808 H809	W803-S806 PolarHBondContact O-N 2.89Å; W803-S806 VanDerWaalsContact O-N 3.07Å; S806-V808 PolarHBondContact OG-N 2.9Å; S806-H809 PolarHBondContact OG-N 3.47Å
807	S	49.7	Very low	72.2	Confident	93 Å²	93	46.1 Å²	46.1	65%	0.65	25%	0.245	S	C	*	.	S	Bend	trans	-76.3	-11.1	172.3	49	0	0	0	0	112.7	A719 G805	A719-S807 WeakPolarHBondContact CB-O 3.3Å; G805-S807 PolarHBondContact O-N 2.7Å
808	V	56.2	Low	71.7	Confident	59 Å²	59	50.3 Å²	50.3	36%	0.358	27%	0.266	S	S	.	.	S	Bend	trans	-116.2	-44.9	-167.8	-174.1	0	0	0	0	112.5	N717 K718 S806	N717-V808 CarbonylContact C-O 3.53Å; N717-V808 WeakPolarHBondContact CA-O 3.42Å; N717-V808 HydrophobicContact CB-CG1 4.45Å; N717-V808 WeakPolarHBondContact CB-O 3.48Å; N717-V808 PolarHBondContact OD1-O 3.03Å; K718-V808 PolarHBondContact N-O 3.47Å; S806-V808 PolarHBondContact OG-N 2.9Å
809	H	62.7	Low	71.4	Confident	54 Å²	54	53 Å²	53	25%	0.25	28%	0.28	C	S	.	.			trans	-109.9	151.9	-172.3	-56	-65.8	0	0	0	112.8	N717 Y729 V802 S806	N717-H809 PolarHBondContact OD1-ND1 3.33Å; Y729-H809 PolarHBondContact OH-ND1 3.49Å; V802-H809 HydrophobicContact CB-CB 4.46Å; V802-H809 HydrophobicContact CG1-CB 3.75Å; V802-H809 HydrophobicContact CG2-CB 3.92Å; S806-H809 PolarHBondContact OG-N 3.47Å
810	Q	73.2	Confident	71.2	Confident	65 Å²	65	53.1 Å²	53.1	30%	0.304	28%	0.283	S	S	.	.			trans	-123.5	160.1	173.3	60.3	177.3	-10.5	0	0	111.1	I715 G716 V802	I715-Q810 HydrophobicContact CD1-CG 4.02Å; G716-Q810 PolarHBondContact O-NE2 2.91Å; V802-Q810 WeakPolarHBondContact CG2-O 3.39Å
811	D	81.3	Confident	70.8	Confident	51 Å²	51	59 Å²	59	27%	0.273	31%	0.311	S	S	.	.			trans	-57.5	140.6	177.8	-65.8	-12.8	0	0	0	110.4	P748 H800 R801 V802	P748-D811 HydrophobicContact CB-CB 3.71Å; P748-D811 HydrophobicContact CG-CB 4.42Å; P748-D811 VanDerWaalsContact CG-O 3.31Å; P748-D811 WeakPolarHBondContact CG-O 3.27Å; H800-D811 WeakPolarHBondContact O-CA 3.37Å; R801-D811 WeakPolarHBondContact CA-OD1 2.91Å; V802-D811 PolarHBondContact N-OD1 2.75Å
812	F	85.3	Confident	70.7	Confident	21 Å²	21	62.4 Å²	62.4	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	173.4	-175.7	68.5	-86.6	0	0	0	111.8	V669 I715 Y729 H800	V669-F812 HydrophobicContact CB-CE1 4.25Å; V669-F812 HydrophobicContact CG1-CD1 4.44Å; V669-F812 HydrophobicContact CG1-CE1 3.42Å; V669-F812 VanDerWaalsContact CG1-CE1 3.42Å; V669-F812 HydrophobicContact CG1-CZ 3.64Å; V669-F812 HydrophobicContact CG2-CE1 3.85Å; V669-F812 HydrophobicContact CG2-CZ 4.41Å; I715-F812 HydrophobicContact CD1-CB 4.38Å; Y729-F812 VanDerWaalsContact CB-CB 3.45Å; Y729-F812 HydrophobicContact CD1-CB 4.36Å; Y729-F812 AromaticContact CD1-CD1 3.89Å; Y729-F812 HydrophobicContact CD1-CD1 3.89Å; Y729-F812 AromaticContact CD1-CD2 3.71Å; Y729-F812 HydrophobicContact CD1-CD2 3.71Å; Y729-F812 HydrophobicContact CD1-CE1 4.08Å; Y729-F812 AromaticContact CD1-CE2 3.9Å; Y729-F812 HydrophobicContact CD1-CE2 3.9Å; Y729-F812 AromaticContact CD1-CG 3.71Å; Y729-F812 HydrophobicContact CD1-CG 3.71Å; Y729-F812 HydrophobicContact CD1-CZ 4.09Å; Y729-F812 HydrophobicContact CE1-CD1 4.33Å; Y729-F812 HydrophobicContact CE1-CE1 4.19Å; Y729-F812 HydrophobicContact CE1-CZ 4.29Å; Y729-F812 HydrophobicContact CG-CB 3.96Å; Y729-F812 HydrophobicContact CG-CD1 4.14Å; Y729-F812 HydrophobicContact CG-CD2 4.14Å; Y729-F812 AromaticContact CG-CG 3.82Å; Y729-F812 HydrophobicContact CG-CG 3.82Å; H800-F812 HydrophobicContact CB-CD1 3.91Å; H800-F812 HydrophobicContact CB-CD2 4.01Å; H800-F812 HydrophobicContact CB-CE1 3.49Å; H800-F812 VanDerWaalsContact CB-CE1 3.49Å; H800-F812 HydrophobicContact CB-CE2 3.63Å; H800-F812 HydrophobicContact CB-CG 4.14Å; H800-F812 HydrophobicContact CB-CZ 3.34Å; H800-F812 AromaticContact CD2-CD2 3.85Å; H800-F812 AromaticContact CD2-CE2 3.31Å; H800-F812 WeakPolarHBondContact CD2-CE2 3.47Å; H800-F812 AromaticContact CD2-CZ 3.83Å; H800-F812 AromaticContact CG-CE2 3.54Å; H800-F812 AromaticContact CG-CZ 3.54Å; H800-F812 PolarHBondContact N-O 2.87Å; H800-F812 PolarHBondContact O-N 2.92Å; H800-F812 VanDerWaalsContact O-N 3.17Å
813	L	87.4	Confident	71.5	Confident	3 Å²	3	62 Å²	62	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.2	-175.8	-56	176.6	0	0	0	111.3	F730 L733 V746 P748 W764 V797 V798 L799	F730-L813 HydrophobicContact CB-CB 4.23Å; F730-L813 WeakPolarHBondContact O-CB 3.41Å; F730-L813 PolarHBondContact O-N 2.83Å; L733-L813 HydrophobicContact CD1-CB 4.14Å; L733-L813 HydrophobicContact CD1-CD1 4.07Å; L733-L813 HydrophobicContact CG-CD1 4.22Å; V746-L813 HydrophobicContact CB-CD1 4.34Å; V746-L813 HydrophobicContact CG1-CD1 3.93Å; V746-L813 HydrophobicContact CG1-CD2 4.41Å; V746-L813 WeakPolarHBondContact O-CD1 3.41Å; P748-L813 HydrophobicContact CG-CD2 4.3Å; P748-L813 HydrophobicContact CG-CG 4.2Å; W764-L813 HydrophobicContact CH2-CD2 4.17Å; W764-L813 HydrophobicContact CZ2-CD2 3.52Å; V797-L813 HydrophobicContact CG1-CB 4.19Å; V797-L813 HydrophobicContact CG1-CD1 4.47Å; V797-L813 HydrophobicContact CG1-CD2 4.3Å; V798-L813 CarbonylContact O-C 3.5Å; V798-L813 WeakPolarHBondContact O-CA 3.46Å; L799-L813 HydrophobicContact CD1-CD2 3.94Å
814	G	87.2	Confident	73	Confident	8 Å²	8	55.8 Å²	55.8	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.4	163.8	0	0	0	0	0	110	V797 V798	V797-G814 CarbonylContact C-O 3.48Å; V797-G814 VanDerWaalsContact CA-O 3.25Å; V797-G814 WeakPolarHBondContact CA-O 3.32Å; V797-G814 WeakPolarHBondContact CG1-O 3.23Å; V798-G814 PolarHBondContact N-O 2.92Å; V798-G814 PolarHBondContact O-N 2.97Å
815	F	89.6	Confident	74.8	Confident	21 Å²	21	53.3 Å²	53.3	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.5	176.2	177.3	-99.8	0	0	0	109.7	L700 V701 V710 L733 F795 V797 V817 L831	L700-F815 HydrophobicContact CD1-CD1 4.03Å; L700-F815 HydrophobicContact CD1-CG 4.31Å; V701-F815 HydrophobicContact CG2-CE1 4.29Å; V701-F815 HydrophobicContact CG2-CZ 4.48Å; V710-F815 HydrophobicContact CB-CZ 4.28Å; V710-F815 HydrophobicContact CG1-CD2 4.27Å; V710-F815 HydrophobicContact CG1-CE1 4.35Å; V710-F815 HydrophobicContact CG1-CE2 3.74Å; V710-F815 HydrophobicContact CG1-CZ 3.79Å; V710-F815 HydrophobicContact CG2-CE2 4.42Å; V710-F815 HydrophobicContact CG2-CZ 4.14Å; L733-F815 HydrophobicContact CD1-CB 4.13Å; L733-F815 HydrophobicContact CD1-CD2 4.36Å; L733-F815 HydrophobicContact CD2-CB 4.43Å; F795-F815 HydrophobicContact CB-CE2 3.78Å; F795-F815 HydrophobicContact CB-CZ 3.97Å; F795-F815 HydrophobicContact CD1-CE1 4.4Å; F795-F815 HydrophobicContact CD1-CE2 4.29Å; F795-F815 AromaticContact CD1-CZ 3.6Å; F795-F815 HydrophobicContact CD1-CZ 3.6Å; F795-F815 HydrophobicContact CE1-CZ 4.4Å; F795-F815 HydrophobicContact CG-CE2 4.24Å; F795-F815 AromaticContact CG-CZ 3.98Å; F795-F815 HydrophobicContact CG-CZ 3.98Å; V797-F815 HydrophobicContact CG2-CD2 4.12Å; F815-V817 HydrophobicContact CE1-CG2 4.1Å; F815-L831 HydrophobicContact CD1-CD1 3.81Å; F815-L831 HydrophobicContact CE1-CD1 3.94Å
816	Y	86.8	Confident	76.9	Confident	33 Å²	33	58.2 Å²	58.2	13%	0.129	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.5	-174.9	-56.6	-87.8	0	0	0	110.7	F795 E796 V798 D874 Y875	F795-Y816 CarbonylContact C-O 3.52Å; F795-Y816 WeakPolarHBondContact CA-O 3.25Å; E796-Y816 PolarHBondContact N-O 2.78Å; E796-Y816 PolarHBondContact O-N 3.09Å; V798-Y816 HydrophobicContact CB-CD2 4.47Å; V798-Y816 HydrophobicContact CB-CE2 3.98Å; V798-Y816 HydrophobicContact CG2-CD2 3.81Å; V798-Y816 HydrophobicContact CG2-CE2 3.69Å; Y816-D874 WeakPolarHBondContact CD1-OD1 3.14Å; Y816-D874 WeakPolarHBondContact CE1-OD1 3.45Å; Y816-Y875 WeakPolarHBondContact OH-CB 3.26Å; Y816-Y875 WeakPolarHBondContact OH-CD2 3.38Å
817	V	85	Confident	78.8	Confident	49 Å²	49	57 Å²	57	30%	0.297	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	109	177.9	-176	0	0	0	0	107.4	F795 F815 L831 F835	F795-V817 HydrophobicContact CD1-CB 4.48Å; F795-V817 HydrophobicContact CD1-CG1 4.23Å; F795-V817 HydrophobicContact CD1-CG2 4.11Å; F795-V817 HydrophobicContact CE1-CG1 4.13Å; F795-V817 HydrophobicContact CE1-CG2 4.35Å; F815-V817 HydrophobicContact CE1-CG2 4.1Å; V817-L831 HydrophobicContact CG2-CD1 4.49Å; V817-F835 HydrophobicContact CB-CE1 4.22Å; V817-F835 HydrophobicContact CB-CZ 4.32Å; V817-F835 HydrophobicContact CG1-CD1 4.48Å; V817-F835 HydrophobicContact CG1-CE1 3.76Å; V817-F835 HydrophobicContact CG1-CE2 4.46Å; V817-F835 HydrophobicContact CG1-CZ 3.73Å; V817-F835 HydrophobicContact CG2-CE1 3.73Å; V817-F835 HydrophobicContact CG2-CZ 3.66Å
818	L	78.6	Confident	80.8	Confident	87 Å²	87	56.1 Å²	56.1	46%	0.455	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-37.9	-178.6	-66.3	-176.3	0	0	0	111.8	T794 E796	T794-L818 HydrophobicContact CG2-CB 4.19Å; T794-L818 HydrophobicContact CG2-CD1 4.12Å; T794-L818 WeakPolarHBondContact O-CB 3.25Å; T794-L818 PolarHBondContact O-N 2.78Å; E796-L818 HydrophobicContact CB-CD1 3.8Å; E796-L818 HydrophobicContact CB-CD2 4.35Å; E796-L818 HydrophobicContact CB-CG 3.87Å; E796-L818 WeakPolarHBondContact OE2-CD2 3.38Å
819	D	79.1	Confident	82.5	Confident	57 Å²	57	53.5 Å²	53.5	31%	0.305	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	129.6	176.9	-168.9	2.7	0	0	0	110.8	G793 T794 H821	G793-D819 CarbonylContact C-O 3.59Å; G793-D819 WeakPolarHBondContact CA-O 3.07Å; T794-D819 PolarHBondContact N-O 3.03Å; T794-D819 PolarHBondContact O-N 2.96Å; D819-H821 IonicContact OD1-CE1 3.04Å; D819-H821 IonicContact OD1-CG 3.24Å; D819-H821 PolarHBondContact OD1-N 3.03Å; D819-H821 VanDerWaalsContact OD1-N 3.11Å; D819-H821 IonicContact OD1-ND1 2.85Å; D819-H821 PolarHBondContact OD1-ND1 2.94Å; D819-H821 IonicContact OD2-CE1 2.75Å; D819-H821 PolarHBondContact OD2-CE1 3.26Å; D819-H821 IonicContact OD2-ND1 3.11Å; D819-H821 PolarHBondContact OD2-ND1 3.03Å
820	S	79.6	Confident	83.9	Confident	26 Å²	26	50.9 Å²	50.9	18%	0.182	26%	0.255	C	S	.	.			trans	-130	3.5	177.5	67.2	0	0	0	0	113.9	R822 M823 F835	S820-R822 PolarHBondContact O-N 2.65Å; S820-R822 VanDerWaalsContact O-N 3.08Å; S820-M823 WeakPolarHBondContact O-CB 3.37Å; S820-M823 PolarHBondContact O-N 3.32Å; S820-M823 VanDerWaalsContact O-N 3.1Å; S820-F835 VanDerWaalsContact CB-CG 3.48Å
821	H	71.2	Confident	84.7	Confident	125 Å²	125	48.5 Å²	48.5	58%	0.579	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.6	-167.8	75.2	-84.4	0	0	0	114.7	D819	D819-H821 IonicContact OD1-CE1 3.04Å; D819-H821 IonicContact OD1-CG 3.24Å; D819-H821 PolarHBondContact OD1-N 3.03Å; D819-H821 VanDerWaalsContact OD1-N 3.11Å; D819-H821 IonicContact OD1-ND1 2.85Å; D819-H821 PolarHBondContact OD1-ND1 2.94Å; D819-H821 IonicContact OD2-CE1 2.75Å; D819-H821 PolarHBondContact OD2-CE1 3.26Å; D819-H821 IonicContact OD2-ND1 3.11Å; D819-H821 PolarHBondContact OD2-ND1 3.03Å
822	R	72	Confident	85.1	Confident	155 Å²	155	46 Å²	46	59%	0.585	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.8	6.9	177.1	-41.2	-178.4	174.4	-172.4	-1.7	113.6	D791 G792 S820	D791-R822 WeakPolarHBondContact O-CB 3.28Å; G792-R822 VanDerWaalsContact O-CB 3.31Å; G792-R822 WeakPolarHBondContact O-CB 3.38Å; S820-R822 PolarHBondContact O-N 2.65Å; S820-R822 VanDerWaalsContact O-N 3.08Å
823	M	82.6	Confident	85.4	Confident	13 Å²	13	46.2 Å²	46.2	6%	0.064	23%	0.232	C	C	.	.	S	Bend	trans	-65	150.4	169.2	-67.5	-63.8	-67.8	0	0	110.2	V701 D703 F708 G793 F795 S820 T827 F835	V701-M823 HydrophobicContact CG1-CE 4.23Å; D703-M823 HydrophobicContact CB-CE 3.91Å; F708-M823 HydrophobicContact CD1-CE 4.01Å; G793-M823 PolarHBondContact N-SD 2.78Å; F795-M823 HydrophobicContact CZ-CE 4.23Å; F795-M823 HydrophobicContact CZ-SD 4.08Å; S820-M823 WeakPolarHBondContact O-CB 3.37Å; S820-M823 PolarHBondContact O-N 3.32Å; S820-M823 VanDerWaalsContact O-N 3.1Å; M823-T827 HydrophobicContact CE-CG2 3.96Å; M823-F835 HydrophobicContact CB-CD2 4.08Å; M823-F835 HydrophobicContact CG-CD2 3.91Å; M823-F835 HydrophobicContact CG-CE2 4.24Å
824	S	83.8	Confident	85.4	Confident	20 Å²	20	47 Å²	47	14%	0.14	24%	0.235	C	C	.	.			trans	-65	151.3	-173.6	99.8	0	0	0	0	112.4	D703 N705 R826 T827 H836	D703-S824 WeakPolarHBondContact OD1-CB 3.37Å; D703-S824 PolarHBondContact OD1-OG 2.87Å; D703-S824 WeakPolarHBondContact OD2-CB 3.45Å; N705-S824 WeakPolarHBondContact ND2-CB 3.39Å; N705-S824 PolarHBondContact ND2-OG 2.82Å; S824-R826 PolarHBondContact O-N 3.31Å; S824-R826 PolarHBondContact OG-N 2.85Å; S824-T827 PolarHBondContact N-OG1 3.19Å; S824-T827 VanDerWaalsContact O-CB 3.32Å; S824-T827 WeakPolarHBondContact O-CB 3.36Å; S824-T827 PolarHBondContact O-N 3.03Å; S824-T827 PolarHBondContact O-OG1 3.02Å; S824-H836 PolarHBondContact O-CE1 3.48Å; S824-H836 VanDerWaalsContact O-CE1 3.24Å; S824-H836 PolarHBondContact O-NE2 3.48Å
825	A	83.9	Confident	85.4	Confident	88 Å²	88	47.8 Å²	47.8	73%	0.727	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-13.5	177.2	0	0	0	0	0	114.6	H836	A825-H836 VanDerWaalsContact C-NE2 3.29Å; A825-H836 WeakPolarHBondContact CA-NE2 3.42Å; A825-H836 PolarHBondContact O-NE2 2.68Å
826	R	88.1	Confident	85	Confident	163 Å²	163	49.8 Å²	49.8	62%	0.615	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	7.3	-178.6	-64	-176.1	66.2	-157.7	1.4	112.7	P704 S824 H828	P704-R826 WeakPolarHBondContact CD-O 3.38Å; P704-R826 HydrophobicContact CG-CB 3.64Å; S824-R826 PolarHBondContact O-N 3.31Å; S824-R826 PolarHBondContact OG-N 2.85Å; R826-H828 PolarHBondContact O-N 3.42Å
827	T	91	Very high	84.5	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.043	27%	0.274	C	S	.	.			trans	-63.1	131.2	178.6	-55.1	0	0	0	0	110	V701 Q702 D703 M823 S824 F835	V701-T827 HydrophobicContact CG1-CG2 3.8Å; Q702-T827 CarbonylContact O-C 3.55Å; Q702-T827 WeakPolarHBondContact O-CA 3.28Å; D703-T827 HydrophobicContact CB-CG2 4.27Å; M823-T827 HydrophobicContact CE-CG2 3.96Å; S824-T827 PolarHBondContact N-OG1 3.19Å; S824-T827 VanDerWaalsContact O-CB 3.32Å; S824-T827 WeakPolarHBondContact O-CB 3.36Å; S824-T827 PolarHBondContact O-N 3.03Å; S824-T827 PolarHBondContact O-OG1 3.02Å; T827-F835 HydrophobicContact CG2-CD2 3.86Å; T827-F835 HydrophobicContact CG2-CE2 4.25Å
828	H	92.4	Very high	84.4	Confident	74 Å²	74	52.2 Å²	52.2	34%	0.343	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-137	-164	-176	-151.8	-15.6	0	0	0	111.3	V701 Q702 R826 G832 Q833 D899 Y905	V701-H828 CarbonylContact C-O 3.58Å; V701-H828 WeakPolarHBondContact CA-O 3.32Å; Q702-H828 PolarHBondContact N-O 3.27Å; Q702-H828 PolarHBondContact O-N 3.2Å; R826-H828 PolarHBondContact O-N 3.42Å; H828-G832 WeakPolarHBondContact O-CA 3.38Å; H828-Q833 WeakPolarHBondContact ND1-CB 3.42Å; H828-D899 IonicContact CE1-OD2 3.35Å; H828-D899 IonicContact NE2-OD2 3.63Å; H828-Y905 PolarHBondContact CE1-OH 3.43Å
829	G	92.1	Very high	84.5	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.031	27%	0.27	C	S	.	.	S	Bend	trans	100.5	178.1	-167.2	0	0	0	0	0	113.2	L700 L831 Q833	L700-G829 CarbonylContact O-C 3.59Å; G829-L831 VanDerWaalsContact C-N 3.28Å; G829-L831 PolarHBondContact O-N 2.98Å; G829-Q833 PolarHBondContact O-N 3.25Å; G829-Q833 PolarHBondContact O-NE2 3.13Å
830	L	91.3	Very high	85	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38	-179.7	-77.5	172	0	0	0	112.9	F675 I690 L698 S699 L700 F834 I898 Y905	F675-L830 HydrophobicContact CZ-CD1 4.48Å; I690-L830 HydrophobicContact CD1-CD2 4.46Å; I690-L830 HydrophobicContact CG1-CD1 4.42Å; L698-L830 HydrophobicContact CB-CD1 3.89Å; L698-L830 HydrophobicContact CD1-CD1 4.05Å; L698-L830 HydrophobicContact CD2-CD1 4.34Å; L698-L830 HydrophobicContact CG-CD1 4.32Å; S699-L830 PolarHBondContact O-N 3.19Å; L700-L830 HydrophobicContact CD2-CD1 4.21Å; L700-L830 PolarHBondContact O-N 2.82Å; L830-F834 WeakPolarHBondContact O-CD2 3.48Å; L830-F834 VanDerWaalsContact O-CE2 3.25Å; L830-F834 WeakPolarHBondContact O-CE2 3.42Å; L830-I898 HydrophobicContact CD2-CD1 4.35Å; L830-Y905 HydrophobicContact CD2-CD1 4.42Å; L830-Y905 HydrophobicContact CD2-CD2 3.46Å; L830-Y905 VanDerWaalsContact CD2-CD2 3.46Å; L830-Y905 HydrophobicContact CD2-CE2 3.93Å; L830-Y905 HydrophobicContact CD2-CG 3.71Å; L830-Y905 HydrophobicContact CG-CD1 4.18Å; L830-Y905 HydrophobicContact CG-CD2 4.03Å; L830-Y905 HydrophobicContact CG-CG 3.72Å
831	L	91.4	Very high	85.5	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.073	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-39	177	-71.4	175.8	0	0	0	112.3	F675 L700 V701 F815 V817 G829 Q833 F834 F835	F675-L831 HydrophobicContact CB-CD2 4.03Å; F675-L831 HydrophobicContact CD1-CD1 3.9Å; F675-L831 HydrophobicContact CD1-CD2 3.63Å; F675-L831 HydrophobicContact CD1-CG 3.84Å; F675-L831 HydrophobicContact CE1-CD1 4.11Å; F675-L831 HydrophobicContact CE1-CD2 4.46Å; F675-L831 HydrophobicContact CE1-CG 4.19Å; F675-L831 HydrophobicContact CG-CD2 4.13Å; L700-L831 PolarHBondContact O-N 2.81Å; V701-L831 HydrophobicContact CG2-CB 4.36Å; F815-L831 HydrophobicContact CD1-CD1 3.81Å; F815-L831 HydrophobicContact CE1-CD1 3.94Å; V817-L831 HydrophobicContact CG2-CD1 4.49Å; G829-L831 VanDerWaalsContact C-N 3.28Å; G829-L831 PolarHBondContact O-N 2.98Å; L831-Q833 PolarHBondContact O-N 3.18Å; L831-Q833 VanDerWaalsContact O-N 3.15Å; L831-F834 PolarHBondContact O-N 3.08Å; L831-F835 HydrophobicContact CB-CE1 4.32Å; L831-F835 WeakPolarHBondContact O-CD1 3.26Å; L831-F835 WeakPolarHBondContact O-CE1 3.46Å
832	G	89.1	Confident	86.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60.6	-28.8	-172.9	0	0	0	0	0	114.3	L700 H828 F834 F835	L700-G832 PolarHBondContact O-N 2.97Å; L700-G832 VanDerWaalsContact O-N 3.15Å; H828-G832 WeakPolarHBondContact O-CA 3.38Å; G832-F834 PolarHBondContact O-N 3.46Å; G832-F834 VanDerWaalsContact O-N 3.09Å; G832-F835 WeakPolarHBondContact O-CB 3.06Å; G832-F835 PolarHBondContact O-N 3.4Å; G832-F835 VanDerWaalsContact O-N 3.1Å
833	Q	90.1	Very high	87.2	Confident	24 Å²	24	45.2 Å²	45.2	11%	0.112	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62.1	-16.9	175.7	73.5	-175.1	-79.3	0	0	114.2	H828 G829 L831 D899 Y905	H828-Q833 WeakPolarHBondContact ND1-CB 3.42Å; G829-Q833 PolarHBondContact O-N 3.25Å; G829-Q833 PolarHBondContact O-NE2 3.13Å; L831-Q833 PolarHBondContact O-N 3.18Å; L831-Q833 VanDerWaalsContact O-N 3.15Å; Q833-D899 PolarHBondContact OE1-OD2 2.85Å; Q833-Y905 PolarHBondContact NE2-OH 2.77Å
834	F	89.4	Confident	87.4	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.088	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-104.1	6.8	-179.6	-54.9	-71	0	0	0	113	I677 L830 L831 G832 H836 I838 L897 I898	I677-F834 HydrophobicContact CD1-CB 4.33Å; I677-F834 HydrophobicContact CD1-CD1 4Å; I677-F834 HydrophobicContact CD1-CD2 3.29Å; I677-F834 HydrophobicContact CD1-CE1 4.1Å; I677-F834 HydrophobicContact CD1-CE2 3.41Å; I677-F834 VanDerWaalsContact CD1-CE2 3.41Å; I677-F834 HydrophobicContact CD1-CG 3.6Å; I677-F834 HydrophobicContact CD1-CZ 3.83Å; I677-F834 HydrophobicContact CG1-CB 4.4Å; I677-F834 HydrophobicContact CG1-CD2 3.98Å; I677-F834 HydrophobicContact CG1-CG 4.19Å; I677-F834 HydrophobicContact CG2-CB 3.78Å; I677-F834 HydrophobicContact CG2-CG 4.12Å; L830-F834 WeakPolarHBondContact O-CD2 3.48Å; L830-F834 VanDerWaalsContact O-CE2 3.25Å; L830-F834 WeakPolarHBondContact O-CE2 3.42Å; L831-F834 PolarHBondContact O-N 3.08Å; G832-F834 PolarHBondContact O-N 3.46Å; G832-F834 VanDerWaalsContact O-N 3.09Å; F834-H836 PolarHBondContact O-N 3.38Å; F834-H836 VanDerWaalsContact O-N 3.16Å; F834-I838 HydrophobicContact CD1-CD1 3.84Å; F834-I838 HydrophobicContact CD1-CG2 4.43Å; F834-I838 HydrophobicContact CE1-CD1 3.7Å; F834-L897 HydrophobicContact CE1-CD1 3.98Å; F834-L897 HydrophobicContact CE1-CG 4.07Å; F834-L897 HydrophobicContact CZ-CD1 4.29Å; F834-L897 HydrophobicContact CZ-CD2 4.35Å; F834-L897 HydrophobicContact CZ-CG 3.86Å; F834-I898 HydrophobicContact CE2-CG2 4.3Å; F834-I898 HydrophobicContact CZ-CG2 4.2Å
835	F	87.3	Confident	87.7	Confident	25 Å²	25	53.8 Å²	53.8	11%	0.11	30%	0.299	C	S	.	.	S	Bend	trans	-72.3	-3.6	175.9	-68.2	0.2	0	0	0	112.5	V701 F795 V817 S820 M823 T827 L831 G832	V701-F835 HydrophobicContact CG1-CE2 3.79Å; V701-F835 HydrophobicContact CG1-CZ 4.32Å; V701-F835 HydrophobicContact CG2-CE2 4.02Å; V701-F835 HydrophobicContact CG2-CZ 3.68Å; F795-F835 AromaticContact CE1-CE2 3.94Å; F795-F835 HydrophobicContact CE1-CE2 3.94Å; F795-F835 AromaticContact CE1-CZ 3.97Å; F795-F835 HydrophobicContact CE1-CZ 3.97Å; F795-F835 HydrophobicContact CZ-CE2 4.35Å; V817-F835 HydrophobicContact CB-CE1 4.22Å; V817-F835 HydrophobicContact CB-CZ 4.32Å; V817-F835 HydrophobicContact CG1-CD1 4.48Å; V817-F835 HydrophobicContact CG1-CE1 3.76Å; V817-F835 HydrophobicContact CG1-CE2 4.46Å; V817-F835 HydrophobicContact CG1-CZ 3.73Å; V817-F835 HydrophobicContact CG2-CE1 3.73Å; V817-F835 HydrophobicContact CG2-CZ 3.66Å; S820-F835 VanDerWaalsContact CB-CG 3.48Å; M823-F835 HydrophobicContact CB-CD2 4.08Å; M823-F835 HydrophobicContact CG-CD2 3.91Å; M823-F835 HydrophobicContact CG-CE2 4.24Å; T827-F835 HydrophobicContact CG2-CD2 3.86Å; T827-F835 HydrophobicContact CG2-CE2 4.25Å; L831-F835 HydrophobicContact CB-CE1 4.32Å; L831-F835 WeakPolarHBondContact O-CD1 3.26Å; L831-F835 WeakPolarHBondContact O-CE1 3.46Å; G832-F835 WeakPolarHBondContact O-CB 3.06Å; G832-F835 PolarHBondContact O-N 3.4Å; G832-F835 VanDerWaalsContact O-N 3.1Å
836	H	80.8	Confident	87.9	Confident	63 Å²	63	53.3 Å²	53.3	29%	0.292	28%	0.279	S	S	.	.	S	Bend	trans	-120.4	153.5	176.8	-53.7	-12.8	0	0	0	109.3	S824 A825 F834 I838	S824-H836 PolarHBondContact O-CE1 3.48Å; S824-H836 VanDerWaalsContact O-CE1 3.24Å; S824-H836 PolarHBondContact O-NE2 3.48Å; A825-H836 VanDerWaalsContact C-NE2 3.29Å; A825-H836 WeakPolarHBondContact CA-NE2 3.42Å; A825-H836 PolarHBondContact O-NE2 2.68Å; F834-H836 PolarHBondContact O-N 3.38Å; F834-H836 VanDerWaalsContact O-N 3.16Å; H836-I838 PolarHBondContact O-N 2.88Å
837	P	75.3	Confident	87.7	Confident	110 Å²	110	51.3 Å²	51.3	71%	0.714	29%	0.287	S	S	*	.			trans	-55.5	125	-172.1	-26.1	34.8	0	0	0	112.9
838	I	82.7	Confident	87.2	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.118	29%	0.292	C	S	.	.			trans	-111.9	131.3	173	-173.7	168.6	0	0	0	109.9	V679 F834 H836 V860 K861 L897	V679-I838 HydrophobicContact CG1-CG2 4.45Å; V679-I838 WeakPolarHBondContact CG1-O 3.49Å; V679-I838 HydrophobicContact CG2-CG2 3.92Å; F834-I838 HydrophobicContact CD1-CD1 3.84Å; F834-I838 HydrophobicContact CD1-CG2 4.43Å; F834-I838 HydrophobicContact CE1-CD1 3.7Å; H836-I838 PolarHBondContact O-N 2.88Å; I838-V860 HydrophobicContact CD1-CG2 3.68Å; I838-V860 HydrophobicContact CG1-CG2 4.06Å; I838-K861 HydrophobicContact CD1-CG 4.33Å; I838-L897 HydrophobicContact CD1-CD1 4.15Å
839	G	81.1	Confident	86.5	Confident	53 Å²	53	54.5 Å²	54.5	55%	0.546	32%	0.32	S	S	.	.			trans	-96.2	135.1	173.7	0	0	0	0	0	111.3
840	F	90.3	Very high	85.6	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	166.6	71.3	-87	0	0	0	111.3	V679 K682 D684 L686 V842 M858 V859 V860	V679-F840 HydrophobicContact CB-CE1 3.99Å; V679-F840 HydrophobicContact CG1-CE1 4.14Å; V679-F840 HydrophobicContact CG2-CD1 4.39Å; V679-F840 HydrophobicContact CG2-CE1 3.85Å; K682-F840 HydrophobicContact CB-CE1 4.39Å; K682-F840 WeakPolarHBondContact CE-O 3.48Å; K682-F840 HydrophobicContact CG-CE1 4.36Å; K682-F840 PolarHBondContact NZ-O 2.98Å; D684-F840 HydrophobicContact CB-CZ 4.17Å; L686-F840 HydrophobicContact CD1-CD1 4.08Å; L686-F840 HydrophobicContact CD1-CE1 4.22Å; L686-F840 HydrophobicContact CD2-CD1 4.18Å; L686-F840 HydrophobicContact CD2-CD2 4.34Å; L686-F840 HydrophobicContact CD2-CE1 3.84Å; L686-F840 HydrophobicContact CD2-CE2 4.01Å; L686-F840 HydrophobicContact CD2-CG 4.42Å; L686-F840 HydrophobicContact CD2-CZ 3.74Å; L686-F840 HydrophobicContact CG-CD1 4.4Å; L686-F840 HydrophobicContact CG-CE1 4.06Å; L686-F840 HydrophobicContact CG-CZ 4.4Å; F840-V842 HydrophobicContact CD2-CG2 3.69Å; F840-V842 HydrophobicContact CE2-CG2 3.61Å; F840-M858 HydrophobicContact CB-CG 4.18Å; F840-M858 HydrophobicContact CB-SD 4.31Å; F840-M858 HydrophobicContact CD2-CE 3.66Å; F840-M858 HydrophobicContact CD2-CG 4.05Å; F840-M858 HydrophobicContact CD2-SD 4.01Å; F840-M858 HydrophobicContact CE2-CE 3.79Å; F840-M858 HydrophobicContact CG-CE 4.41Å; F840-M858 HydrophobicContact CG-CG 4.49Å; F840-M858 HydrophobicContact CG-SD 4.28Å; F840-V859 CarbonylContact C-O 3.6Å; F840-V859 WeakPolarHBondContact CA-O 3.47Å; F840-V859 WeakPolarHBondContact CB-O 3.47Å; F840-V860 HydrophobicContact CB-CB 3.82Å; F840-V860 HydrophobicContact CB-CG2 3.95Å
841	E	88.8	Confident	84.7	Confident	136 Å²	136	63 Å²	63	64%	0.636	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.6	174.1	-66.2	-175.1	170.3	0	0	109.4	M858 V859	E841-M858 CarbonylContact O-C 3.53Å; E841-M858 VanDerWaalsContact O-CA 3.27Å; E841-M858 WeakPolarHBondContact O-CA 3.37Å; E841-V859 PolarHBondContact N-O 2.88Å; E841-V859 PolarHBondContact O-N 3.45Å
842	V	89.9	Confident	83.9	Confident	46 Å²	46	67.8 Å²	67.8	28%	0.279	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.7	175.9	-176.2	0	0	0	0	108.4	F840 A856 M858 W888	F840-V842 HydrophobicContact CD2-CG2 3.69Å; F840-V842 HydrophobicContact CE2-CG2 3.61Å; V842-A856 HydrophobicContact CG1-CB 3.47Å; V842-A856 VanDerWaalsContact CG1-CB 3.47Å; V842-M858 HydrophobicContact CG2-CB 4.42Å; V842-M858 HydrophobicContact CG2-CE 3.82Å; V842-M858 HydrophobicContact CG2-CG 4.29Å; V842-W888 HydrophobicContact CG1-CD2 4.5Å; V842-W888 HydrophobicContact CG1-CH2 4.14Å; V842-W888 HydrophobicContact CG1-CZ2 3.81Å
843	S	89.2	Confident	83.6	Confident	56 Å²	56	72.4 Å²	72.4	39%	0.392	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.3	-176.9	60.2	0	0	0	0	109.7	I845 T857	S843-I845 PolarHBondContact O-N 3.07Å; S843-T857 PolarHBondContact N-O 2.68Å; S843-T857 WeakPolarHBondContact O-CA 3.33Å; S843-T857 WeakPolarHBondContact O-CB 3.35Å; S843-T857 PolarHBondContact O-N 2.95Å; S843-T857 VanDerWaalsContact O-O 3.12Å; S843-T857 PolarHBondContact OG-O 2.98Å
844	D	88.1	Confident	83.5	Confident	103 Å²	103	73.2 Å²	73.2	55%	0.551	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.2	52	171.8	-175.1	35.8	0	0	0	113.4	R846 T857	D844-R846 PolarHBondContact O-N 3.13Å; D844-R846 PolarHBondContact O-NH1 2.86Å; D844-R846 VanDerWaalsContact O-NH1 3.12Å; D844-R846 IonicContact OD2-CZ 3.95Å; D844-R846 IonicContact OD2-NH1 2.83Å; D844-R846 PolarHBondContact OD2-NH1 2.68Å; D844-T857 PolarHBondContact OD2-OG1 3.3Å
845	I	88.8	Confident	83.6	Confident	111 Å²	111	73.7 Å²	73.7	57%	0.569	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.1	176.4	-56	175.3	0	0	0	108.6	S843 P854 D855 A856 W888	S843-I845 PolarHBondContact O-N 3.07Å; I845-P854 HydrophobicContact CG2-CB 3.89Å; I845-P854 HydrophobicContact CG2-CG 4.49Å; I845-D855 CarbonylContact C-O 3.59Å; I845-D855 WeakPolarHBondContact CA-O 3.32Å; I845-A856 HydrophobicContact CG1-CB 3.95Å; I845-W888 HydrophobicContact CD1-CH2 4.4Å; I845-W888 HydrophobicContact CG1-CH2 4.45Å
846	R	89.3	Confident	83.8	Confident	78 Å²	78	72.5 Å²	72.5	29%	0.294	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.8	-175.2	58.1	-176.2	173.3	-88.7	4.8	110.9	D844 G848 P854 D855 T857	D844-R846 PolarHBondContact O-N 3.13Å; D844-R846 PolarHBondContact O-NH1 2.86Å; D844-R846 VanDerWaalsContact O-NH1 3.12Å; D844-R846 IonicContact OD2-CZ 3.95Å; D844-R846 IonicContact OD2-NH1 2.83Å; D844-R846 PolarHBondContact OD2-NH1 2.68Å; R846-G848 PolarHBondContact O-N 3.08Å; R846-P854 CarbonylContact O-C 3.51Å; R846-P854 WeakPolarHBondContact O-CA 3.39Å; R846-P854 WeakPolarHBondContact O-CB 3.42Å; R846-D855 HydrophobicContact CG-CB 4.04Å; R846-D855 PolarHBondContact N-O 3.07Å; R846-D855 PolarHBondContact O-N 3.04Å; R846-D855 VanDerWaalsContact O-O 3.08Å; R846-T857 PolarHBondContact NH1-OG1 2.74Å
847	P	84.5	Confident	84.4	Confident	120 Å²	120	69.9 Å²	69.9	78%	0.779	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	126.7	173.4	-22.7	33.7	0	0	0	110.7
848	G	80.3	Confident	85.3	Confident	15 Å²	15	64.7 Å²	64.7	16%	0.155	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-175.9	174.5	0	0	0	0	0	111.9	R846 D850 K853 D855	R846-G848 PolarHBondContact O-N 3.08Å; G848-D850 PolarHBondContact O-N 3.3Å; G848-K853 WeakPolarHBondContact CA-O 3.49Å; G848-D855 WeakPolarHBondContact CA-OD2 3.44Å
849	S	76.5	Confident	85.7	Confident	134 Å²	134	65.9 Å²	65.9	94%	0.937	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	-26.8	177.7	-61.6	0	0	0	0	113.1
850	D	72.8	Confident	86.1	Confident	58 Å²	58	63.4 Å²	63.4	31%	0.31	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.1	167.6	177.6	-18.4	0	0	0	107.8	G848 T852 K853	G848-D850 PolarHBondContact O-N 3.3Å; D850-T852 VanDerWaalsContact CG-OG1 3.22Å; D850-T852 PolarHBondContact O-N 2.82Å; D850-T852 WeakPolarHBondContact OD1-CB 3.46Å; D850-T852 PolarHBondContact OD1-N 3.4Å; D850-T852 PolarHBondContact OD1-OG1 3.09Å; D850-T852 PolarHBondContact OD2-OG1 3.23Å; D850-K853 HydrophobicContact CB-CB 4.11Å; D850-K853 HydrophobicContact CB-CD 4.25Å; D850-K853 HydrophobicContact CB-CG 4.21Å; D850-K853 CarbonylContact O-C 3.51Å; D850-K853 PolarHBondContact O-N 2.92Å; D850-K853 WeakPolarHBondContact OD2-CE 3.29Å
851	P	73.6	Confident	85.8	Confident	124 Å²	124	66.2 Å²	66.2	81%	0.805	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-21.6	-179.8	-24	32.7	0	0	0	114.3
852	T	73.3	Confident	85.6	Confident	113 Å²	113	67.8 Å²	67.8	69%	0.693	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.2	178.4	69.3	0	0	0	0	113.6	D850	D850-T852 VanDerWaalsContact CG-OG1 3.22Å; D850-T852 PolarHBondContact O-N 2.82Å; D850-T852 WeakPolarHBondContact OD1-CB 3.46Å; D850-T852 PolarHBondContact OD1-N 3.4Å; D850-T852 PolarHBondContact OD1-OG1 3.09Å; D850-T852 PolarHBondContact OD2-OG1 3.23Å
853	K	83.6	Confident	85.4	Confident	98 Å²	98	71.1 Å²	71.1	43%	0.426	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	84.6	-176.9	-59.6	-177	-172.3	174.8	0	110.2	G848 D850 T868 R869	G848-K853 WeakPolarHBondContact CA-O 3.49Å; D850-K853 HydrophobicContact CB-CB 4.11Å; D850-K853 HydrophobicContact CB-CD 4.25Å; D850-K853 HydrophobicContact CB-CG 4.21Å; D850-K853 CarbonylContact O-C 3.51Å; D850-K853 PolarHBondContact O-N 2.92Å; D850-K853 WeakPolarHBondContact OD2-CE 3.29Å; K853-T868 HydrophobicContact CB-CG2 3.71Å; K853-R869 WeakPolarHBondContact CA-O 3.5Å; K853-R869 VanDerWaalsContact CB-O 3.32Å; K853-R869 WeakPolarHBondContact CB-O 3.29Å
854	P	88.6	Confident	85.5	Confident	40 Å²	40	77.9 Å²	77.9	26%	0.26	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.7	179.4	26.2	-35.3	0	0	0	111.8	I845 R846 T868 R869	I845-P854 HydrophobicContact CG2-CB 3.89Å; I845-P854 HydrophobicContact CG2-CG 4.49Å; R846-P854 CarbonylContact O-C 3.51Å; R846-P854 WeakPolarHBondContact O-CA 3.39Å; R846-P854 WeakPolarHBondContact O-CB 3.42Å; P854-T868 CarbonylContact O-C 3.54Å; P854-T868 WeakPolarHBondContact O-CA 3.34Å; P854-R869 HydrophobicContact CG-CB 3.84Å; P854-R869 PolarHBondContact O-N 3.14Å
855	D	90.8	Very high	85.7	Confident	31 Å²	31	74.1 Å²	74.1	17%	0.166	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	151.1	170	-69.1	-23.3	0	0	0	109.8	I845 R846 G848 V867 T868	I845-D855 CarbonylContact C-O 3.59Å; I845-D855 WeakPolarHBondContact CA-O 3.32Å; R846-D855 HydrophobicContact CG-CB 4.04Å; R846-D855 PolarHBondContact N-O 3.07Å; R846-D855 PolarHBondContact O-N 3.04Å; R846-D855 VanDerWaalsContact O-O 3.08Å; G848-D855 WeakPolarHBondContact CA-OD2 3.44Å; D855-V867 CarbonylContact C-O 3.56Å; D855-V867 VanDerWaalsContact CA-O 3.3Å; D855-V867 WeakPolarHBondContact CA-O 3.36Å; D855-T868 WeakPolarHBondContact OD1-CB 3.37Å; D855-T868 WeakPolarHBondContact OD1-CG2 3.48Å; D855-T868 PolarHBondContact OD1-OG1 2.88Å
856	A	92.3	Very high	85.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162	176.9	0	0	0	0	0	111.4	V842 I845 T866 V867 W888	V842-A856 HydrophobicContact CG1-CB 3.47Å; V842-A856 VanDerWaalsContact CG1-CB 3.47Å; I845-A856 HydrophobicContact CG1-CB 3.95Å; A856-T866 WeakPolarHBondContact O-CA 3.37Å; A856-V867 HydrophobicContact CB-CG2 4.11Å; A856-V867 PolarHBondContact N-O 3.09Å; A856-V867 PolarHBondContact O-N 2.96Å; A856-W888 HydrophobicContact CB-CE3 4.3Å; A856-W888 HydrophobicContact CB-CH2 3.8Å; A856-W888 HydrophobicContact CB-CZ3 3.59Å
857	T	92.6	Very high	86	Confident	8 Å²	8	68.7 Å²	68.7	5%	0.049	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.4	173	-59.3	0	0	0	0	109.3	S843 D844 R846 R864 L865	S843-T857 PolarHBondContact N-O 2.68Å; S843-T857 WeakPolarHBondContact O-CA 3.33Å; S843-T857 WeakPolarHBondContact O-CB 3.35Å; S843-T857 PolarHBondContact O-N 2.95Å; S843-T857 VanDerWaalsContact O-O 3.12Å; S843-T857 PolarHBondContact OG-O 2.98Å; D844-T857 PolarHBondContact OD2-OG1 3.3Å; R846-T857 PolarHBondContact NH1-OG1 2.74Å; T857-R864 HydrophobicContact CG2-CG 3.35Å; T857-L865 CarbonylContact C-O 3.55Å; T857-L865 WeakPolarHBondContact CA-O 3.47Å
858	M	93.4	Very high	86.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.2	175.4	-177.4	179.6	-73	0	0	111	L686 F840 E841 V842 V860 R864 L865 V867 W888	L686-M858 HydrophobicContact CD2-CE 3.27Å; L686-M858 HydrophobicContact CD2-SD 3.85Å; F840-M858 HydrophobicContact CB-CG 4.18Å; F840-M858 HydrophobicContact CB-SD 4.31Å; F840-M858 HydrophobicContact CD2-CE 3.66Å; F840-M858 HydrophobicContact CD2-CG 4.05Å; F840-M858 HydrophobicContact CD2-SD 4.01Å; F840-M858 HydrophobicContact CE2-CE 3.79Å; F840-M858 HydrophobicContact CG-CE 4.41Å; F840-M858 HydrophobicContact CG-CG 4.49Å; F840-M858 HydrophobicContact CG-SD 4.28Å; E841-M858 CarbonylContact O-C 3.53Å; E841-M858 VanDerWaalsContact O-CA 3.27Å; E841-M858 WeakPolarHBondContact O-CA 3.37Å; V842-M858 HydrophobicContact CG2-CB 4.42Å; V842-M858 HydrophobicContact CG2-CE 3.82Å; V842-M858 HydrophobicContact CG2-CG 4.29Å; M858-V860 HydrophobicContact CG-CB 4.32Å; M858-V860 HydrophobicContact CG-CG1 4.36Å; M858-V860 HydrophobicContact SD-CB 4.38Å; M858-V860 HydrophobicContact SD-CG1 4.25Å; M858-R864 CarbonylContact O-C 3.51Å; M858-R864 WeakPolarHBondContact O-CA 3.41Å; M858-L865 PolarHBondContact N-O 3.22Å; M858-L865 PolarHBondContact O-N 3.12Å; M858-V867 HydrophobicContact CB-CB 4.48Å; M858-V867 HydrophobicContact CB-CG1 3.77Å; M858-V867 HydrophobicContact CB-CG2 3.84Å; M858-V867 HydrophobicContact CE-CB 4.45Å; M858-V867 HydrophobicContact CE-CG1 4.01Å; M858-V867 HydrophobicContact CE-CG2 4.05Å; M858-V867 HydrophobicContact SD-CG1 4.03Å; M858-W888 HydrophobicContact CE-CB 3.51Å; M858-W888 HydrophobicContact CE-CG 3.75Å
859	V	91.4	Very high	86.8	Confident	48 Å²	48	65.8 Å²	65.8	29%	0.291	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.8	167.5	-177.1	0	0	0	0	108.6	F840 E841 R863	F840-V859 CarbonylContact C-O 3.6Å; F840-V859 WeakPolarHBondContact CA-O 3.47Å; F840-V859 WeakPolarHBondContact CB-O 3.47Å; E841-V859 PolarHBondContact N-O 2.88Å; E841-V859 PolarHBondContact O-N 3.45Å; V859-R863 CarbonylContact C-O 3.56Å; V859-R863 VanDerWaalsContact CA-O 3.27Å; V859-R863 WeakPolarHBondContact CA-O 3.47Å
860	V	89.8	Confident	87.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.9	-179.5	62.5	0	0	0	0	108.8	I838 F840 M858 N862 R863 L865 L897	I838-V860 HydrophobicContact CD1-CG2 3.68Å; I838-V860 HydrophobicContact CG1-CG2 4.06Å; F840-V860 HydrophobicContact CB-CB 3.82Å; F840-V860 HydrophobicContact CB-CG2 3.95Å; M858-V860 HydrophobicContact CG-CB 4.32Å; M858-V860 HydrophobicContact CG-CG1 4.36Å; M858-V860 HydrophobicContact SD-CB 4.38Å; M858-V860 HydrophobicContact SD-CG1 4.25Å; V860-N862 PolarHBondContact O-N 2.97Å; V860-N862 VanDerWaalsContact O-N 3.17Å; V860-R863 PolarHBondContact N-O 2.96Å; V860-R863 WeakPolarHBondContact O-CB 3.24Å; V860-R863 PolarHBondContact O-N 3.41Å; V860-L865 HydrophobicContact CG1-CD1 3.49Å; V860-L865 VanDerWaalsContact CG1-CD1 3.49Å; V860-L865 HydrophobicContact CG1-CG 4.19Å; V860-L897 HydrophobicContact CG1-CD1 4.23Å; V860-L897 HydrophobicContact CG2-CD1 3.9Å
861	K	85.4	Confident	87.5	Confident	70 Å²	70	62.4 Å²	62.4	30%	0.304	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	41.8	-176.6	-62.8	178.1	176.9	178.2	0	113.6	I838 R863 L897 D899	I838-K861 HydrophobicContact CD1-CG 4.33Å; K861-R863 PolarHBondContact O-N 3.09Å; K861-R863 VanDerWaalsContact O-N 3.15Å; K861-L897 WeakPolarHBondContact CE-O 3.03Å; K861-L897 PolarHBondContact NZ-O 3.28Å; K861-D899 VanDerWaalsContact NZ-CG 3.25Å; K861-D899 IonicContact NZ-OD1 2.65Å; K861-D899 PolarHBondContact NZ-OD1 3.3Å; K861-D899 IonicContact NZ-OD2 2.75Å; K861-D899 PolarHBondContact NZ-OD2 3.39Å
862	N	83.8	Confident	87.9	Confident	170 Å²	170	57.8 Å²	57.8	91%	0.909	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	18.4	-174.9	-62.1	-19.1	0	0	0	115.4	V860	V860-N862 PolarHBondContact O-N 2.97Å; V860-N862 VanDerWaalsContact O-N 3.17Å
863	R	86.3	Confident	88.1	Confident	116 Å²	116	55 Å²	55	44%	0.438	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.9	176	-65	175.4	175.7	-179.8	-4.4	109.8	V859 V860 K861 L865 G896	V859-R863 CarbonylContact C-O 3.56Å; V859-R863 VanDerWaalsContact CA-O 3.27Å; V859-R863 WeakPolarHBondContact CA-O 3.47Å; V860-R863 PolarHBondContact N-O 2.96Å; V860-R863 WeakPolarHBondContact O-CB 3.24Å; V860-R863 PolarHBondContact O-N 3.41Å; K861-R863 PolarHBondContact O-N 3.09Å; K861-R863 VanDerWaalsContact O-N 3.15Å; R863-L865 HydrophobicContact CB-CD2 4.46Å; R863-G896 WeakPolarHBondContact CD-O 3.24Å
864	R	90.8	Very high	87.8	Confident	197 Å²	197	50.7 Å²	50.7	74%	0.743	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	119	177	-173.1	-177.8	-70.6	-145.8	0.2	109.2	T857 M858	T857-R864 HydrophobicContact CG2-CG 3.35Å; M858-R864 CarbonylContact O-C 3.51Å; M858-R864 WeakPolarHBondContact O-CA 3.41Å
865	L	92.1	Very high	87.1	Confident	24 Å²	24	49.2 Å²	49.2	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.9	-177.1	-50.4	179.4	0	0	0	110.1	T857 M858 V860 R863 V867 I890 L897	T857-L865 CarbonylContact C-O 3.55Å; T857-L865 WeakPolarHBondContact CA-O 3.47Å; M858-L865 PolarHBondContact N-O 3.22Å; M858-L865 PolarHBondContact O-N 3.12Å; V860-L865 HydrophobicContact CG1-CD1 3.49Å; V860-L865 VanDerWaalsContact CG1-CD1 3.49Å; V860-L865 HydrophobicContact CG1-CG 4.19Å; R863-L865 HydrophobicContact CB-CD2 4.46Å; L865-V867 HydrophobicContact CB-CG1 4.38Å; L865-I890 HydrophobicContact CD1-CG2 4.28Å; L865-L897 HydrophobicContact CD1-CB 4.29Å
866	T	91.6	Very high	85.9	Confident	75 Å²	75	49 Å²	49	46%	0.46	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.6	164.5	-59.4	0	0	0	0	108	A856	A856-T866 WeakPolarHBondContact O-CA 3.37Å
867	V	92.6	Very high	84.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	154.7	-178.5	-63.3	0	0	0	0	110.2	D855 A856 M858 L865 W888 F889 I890	D855-V867 CarbonylContact C-O 3.56Å; D855-V867 VanDerWaalsContact CA-O 3.3Å; D855-V867 WeakPolarHBondContact CA-O 3.36Å; A856-V867 HydrophobicContact CB-CG2 4.11Å; A856-V867 PolarHBondContact N-O 3.09Å; A856-V867 PolarHBondContact O-N 2.96Å; M858-V867 HydrophobicContact CB-CB 4.48Å; M858-V867 HydrophobicContact CB-CG1 3.77Å; M858-V867 HydrophobicContact CB-CG2 3.84Å; M858-V867 HydrophobicContact CE-CB 4.45Å; M858-V867 HydrophobicContact CE-CG1 4.01Å; M858-V867 HydrophobicContact CE-CG2 4.05Å; M858-V867 HydrophobicContact SD-CG1 4.03Å; L865-V867 HydrophobicContact CB-CG1 4.38Å; V867-W888 HydrophobicContact CB-CB 4.23Å; V867-W888 HydrophobicContact CB-CE3 4.34Å; V867-W888 HydrophobicContact CG2-CB 4.18Å; V867-W888 HydrophobicContact CG2-CD2 4.02Å; V867-W888 HydrophobicContact CG2-CE3 3.6Å; V867-W888 HydrophobicContact CG2-CG 4.28Å; V867-W888 HydrophobicContact CG2-CZ3 4.32Å; V867-F889 VanDerWaalsContact CA-O 3.28Å; V867-F889 WeakPolarHBondContact CA-O 3.34Å; V867-F889 WeakPolarHBondContact CB-O 3.42Å; V867-I890 HydrophobicContact CG1-CD1 4.43Å; V867-I890 HydrophobicContact CG1-CG1 3.95Å
868	T	91.4	Very high	83.2	Confident	18 Å²	18	59.1 Å²	59.1	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.2	179.6	-55.9	0	0	0	0	110	K853 P854 D855 G870 F889 H891	K853-T868 HydrophobicContact CB-CG2 3.71Å; P854-T868 CarbonylContact O-C 3.54Å; P854-T868 WeakPolarHBondContact O-CA 3.34Å; D855-T868 WeakPolarHBondContact OD1-CB 3.37Å; D855-T868 WeakPolarHBondContact OD1-CG2 3.48Å; D855-T868 PolarHBondContact OD1-OG1 2.88Å; T868-G870 PolarHBondContact O-N 3.01Å; T868-F889 PolarHBondContact N-O 3.31Å; T868-F889 VanDerWaalsContact O-CB 3.29Å; T868-F889 WeakPolarHBondContact O-CB 3.38Å; T868-F889 PolarHBondContact O-N 2.99Å; T868-H891 PolarHBondContact OG1-NE2 3.3Å
869	R	89.8	Confident	81.7	Confident	57 Å²	57	61 Å²	61	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.4	176.4	-165.2	72.5	178.5	-175.9	2.6	110	D684 K853 P854 S886 W888	D684-R869 VanDerWaalsContact CG-NH1 3.27Å; D684-R869 IonicContact OD1-CZ 2.73Å; D684-R869 VanDerWaalsContact OD1-CZ 3.31Å; D684-R869 IonicContact OD1-NH1 2.99Å; D684-R869 PolarHBondContact OD1-NH1 2.93Å; D684-R869 IonicContact OD1-NH2 3.31Å; D684-R869 PolarHBondContact OD1-NH2 3.46Å; D684-R869 IonicContact OD2-NH1 2.96Å; D684-R869 PolarHBondContact OD2-NH1 3.38Å; K853-R869 WeakPolarHBondContact CA-O 3.5Å; K853-R869 VanDerWaalsContact CB-O 3.32Å; K853-R869 WeakPolarHBondContact CB-O 3.29Å; P854-R869 HydrophobicContact CG-CB 3.84Å; P854-R869 PolarHBondContact O-N 3.14Å; R869-S886 PolarHBondContact NE-OG 3.22Å; R869-S886 PolarHBondContact NH2-OG 2.76Å; R869-W888 HydrophobicContact CB-CE3 3.96Å; R869-W888 HydrophobicContact CB-CH2 4.07Å; R869-W888 HydrophobicContact CB-CZ3 3.62Å; R869-W888 HydrophobicContact CG-CZ3 4.42Å
870	G	83.4	Confident	80	Confident	14 Å²	14	66.2 Å²	66.2	14%	0.144	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	171.6	179.3	0	0	0	0	0	113.1	T868 S886 C887	T868-G870 PolarHBondContact O-N 3.01Å; G870-S886 WeakPolarHBondContact O-CA 3.49Å; G870-C887 PolarHBondContact N-O 3.01Å; G870-C887 PolarHBondContact O-N 3.2Å
871	L	81.1	Confident	78.8	Confident	106 Å²	106	72.3 Å²	72.3	56%	0.555	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.4	169.1	-69.4	171	0	0	0	108.5	V885	L871-V885 CarbonylContact C-O 3.53Å; L871-V885 WeakPolarHBondContact CA-O 3.5Å
872	Q	81.2	Confident	77.9	Confident	27 Å²	27	69.6 Å²	69.6	13%	0.126	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157	173.8	-68	-61.2	-18.5	0	0	109.9	I676 C687 K884 V885	I676-Q872 HydrophobicContact CD1-CB 4.04Å; I676-Q872 HydrophobicContact CG1-CB 4.44Å; C687-Q872 HydrophobicContact CB-CG 4.17Å; Q872-K884 CarbonylContact O-C 3.6Å; Q872-K884 WeakPolarHBondContact O-CA 3.32Å; Q872-V885 PolarHBondContact N-O 3.26Å; Q872-V885 PolarHBondContact O-N 3.18Å
873	K	78.6	Confident	77.5	Confident	56 Å²	56	63.2 Å²	63.2	24%	0.243	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.9	176.8	-69.9	-177	-176.8	173.1	0	111.6	H674 Y875 A883	H674-K873 PolarHBondContact NE2-O 2.92Å; K873-Y875 HydrophobicContact CB-CD2 4.18Å; K873-Y875 HydrophobicContact CB-CE2 3.48Å; K873-Y875 VanDerWaalsContact CB-CE2 3.48Å; K873-Y875 HydrophobicContact CD-CE2 4.17Å; K873-Y875 WeakPolarHBondContact CD-OH 3.48Å; K873-A883 CarbonylContact C-O 3.46Å; K873-A883 WeakPolarHBondContact CA-O 3.33Å
874	D	77.6	Confident	77.2	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.032	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118	171.3	176.4	7	0	0	0	109.6	I676 H678 Y816 S876 G882 A883 V885	I676-D874 HydrophobicContact CD1-CB 3.91Å; H678-D874 IonicContact NE2-OD2 2.85Å; Y816-D874 WeakPolarHBondContact CD1-OD1 3.14Å; Y816-D874 WeakPolarHBondContact CE1-OD1 3.45Å; D874-S876 VanDerWaalsContact CG-OG 3.25Å; D874-S876 WeakPolarHBondContact OD1-CB 3.42Å; D874-S876 PolarHBondContact OD1-N 2.86Å; D874-S876 PolarHBondContact OD1-OG 3.09Å; D874-S876 PolarHBondContact OD2-OG 3.31Å; D874-S876 VanDerWaalsContact OD2-OG 3.11Å; D874-G882 CarbonylContact O-C 3.56Å; D874-G882 WeakPolarHBondContact O-CA 3.3Å; D874-A883 PolarHBondContact N-O 2.78Å; D874-A883 PolarHBondContact O-N 2.83Å; D874-V885 HydrophobicContact CB-CG2 3.63Å
875	Y	73.2	Confident	76.8	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.039	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.6	-176.7	-61.4	-101.1	0	0	0	113.8	G668 H800 Y816 K873 K877 D878 P879 G882	G668-Y875 PolarHBondContact O-OH 3.45Å; H800-Y875 AromaticContact CE1-CD1 3.67Å; H800-Y875 AromaticContact CE1-CD2 3.76Å; H800-Y875 AromaticContact CE1-CG 3.47Å; H800-Y875 VanDerWaalsContact CE1-CG 3.47Å; Y816-Y875 WeakPolarHBondContact OH-CB 3.26Å; Y816-Y875 WeakPolarHBondContact OH-CD2 3.38Å; K873-Y875 HydrophobicContact CB-CD2 4.18Å; K873-Y875 HydrophobicContact CB-CE2 3.48Å; K873-Y875 VanDerWaalsContact CB-CE2 3.48Å; K873-Y875 HydrophobicContact CD-CE2 4.17Å; K873-Y875 WeakPolarHBondContact CD-OH 3.48Å; Y875-K877 PolarHBondContact O-N 2.92Å; Y875-D878 CarbonylContact O-C 3.58Å; Y875-P879 VanDerWaalsContact O-CA 3.24Å; Y875-P879 WeakPolarHBondContact O-CA 3.43Å; Y875-P879 WeakPolarHBondContact O-CG 3.31Å; Y875-G882 VanDerWaalsContact CD1-CA 3.41Å
876	S	66.2	Low	76.6	Confident	25 Å²	25	58.2 Å²	58.2	18%	0.175	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.7	176	62.4	0	0	0	0	112.9	D874	D874-S876 VanDerWaalsContact CG-OG 3.25Å; D874-S876 WeakPolarHBondContact OD1-CB 3.42Å; D874-S876 PolarHBondContact OD1-N 2.86Å; D874-S876 PolarHBondContact OD1-OG 3.09Å; D874-S876 PolarHBondContact OD2-OG 3.31Å; D874-S876 VanDerWaalsContact OD2-OG 3.11Å
877	K	63.8	Low	76.6	Confident	167 Å²	167	54.7 Å²	54.7	73%	0.726	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-35.4	-178	-62.5	-177.5	-176.5	178.3	0	114	Y875	Y875-K877 PolarHBondContact O-N 2.92Å
878	D	63.8	Low	76.5	Confident	54 Å²	54	55.6 Å²	55.6	29%	0.289	28%	0.275	S	S	.	.			trans	-130.6	89.8	171.9	-175.3	-11.9	0	0	0	109.4	Y875 R880 H881 G882	Y875-D878 CarbonylContact O-C 3.58Å; D878-R880 PolarHBondContact O-N 3.31Å; D878-R880 WeakPolarHBondContact OD1-CA 3.21Å; D878-R880 WeakPolarHBondContact OD1-CB 3.35Å; D878-R880 PolarHBondContact OD1-N 3Å; D878-H881 PolarHBondContact O-N 3.19Å; D878-H881 PolarHBondContact OD1-N 2.83Å; D878-H881 IonicContact OD1-ND1 2.63Å; D878-H881 WeakPolarHBondContact OD2-CB 3.43Å; D878-H881 IonicContact OD2-CG 3.27Å; D878-H881 IonicContact OD2-ND1 3.69Å; D878-H881 PolarHBondContact OD2-ND1 3.06Å; D878-G882 WeakPolarHBondContact O-CA 3.49Å; D878-G882 PolarHBondContact O-N 2.82Å
879	P	61.6	Low	76.5	Confident	39 Å²	39	56.7 Å²	56.7	25%	0.253	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.3	178.6	-26.2	34.8	0	0	0	114.4	V798 Y875	V798-P879 HydrophobicContact CG1-CB 4.1Å; Y875-P879 VanDerWaalsContact O-CA 3.24Å; Y875-P879 WeakPolarHBondContact O-CA 3.43Å; Y875-P879 WeakPolarHBondContact O-CG 3.31Å
880	R	57.3	Low	76.5	Confident	158 Å²	158	54.1 Å²	54.1	60%	0.596	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-42.2	-176.4	-66.4	-176.7	177.6	175.9	2.1	112.8	D878	D878-R880 PolarHBondContact O-N 3.31Å; D878-R880 WeakPolarHBondContact OD1-CA 3.21Å; D878-R880 WeakPolarHBondContact OD1-CB 3.35Å; D878-R880 PolarHBondContact OD1-N 3Å
881	H	63	Low	76.7	Confident	130 Å²	130	57 Å²	57	60%	0.602	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-18.9	-174.6	-47.3	105.3	0	0	0	113.9	D878	D878-H881 PolarHBondContact O-N 3.19Å; D878-H881 PolarHBondContact OD1-N 2.83Å; D878-H881 IonicContact OD1-ND1 2.63Å; D878-H881 WeakPolarHBondContact OD2-CB 3.43Å; D878-H881 IonicContact OD2-CG 3.27Å; D878-H881 IonicContact OD2-ND1 3.69Å; D878-H881 PolarHBondContact OD2-ND1 3.06Å
882	G	66.8	Low	77	Confident	12 Å²	12	58.5 Å²	58.5	12%	0.124	29%	0.287	C	S	.	.			trans	69.8	129.5	-172.8	0	0	0	0	0	111.7	D874 Y875 D878	D874-G882 CarbonylContact O-C 3.56Å; D874-G882 WeakPolarHBondContact O-CA 3.3Å; Y875-G882 VanDerWaalsContact CD1-CA 3.41Å; D878-G882 WeakPolarHBondContact O-CA 3.49Å; D878-G882 PolarHBondContact O-N 2.82Å
883	A	76.8	Confident	77.3	Confident	36 Å²	36	58.5 Å²	58.5	30%	0.298	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.2	171.8	0	0	0	0	0	109.8	K873 D874 V885	K873-A883 CarbonylContact C-O 3.46Å; K873-A883 WeakPolarHBondContact CA-O 3.33Å; D874-A883 PolarHBondContact N-O 2.78Å; D874-A883 PolarHBondContact O-N 2.83Å; A883-V885 PolarHBondContact O-N 2.94Å
884	K	79.8	Confident	77.7	Confident	162 Å²	162	55.9 Å²	55.9	70%	0.704	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.6	174.5	-67.8	-176.9	-179.4	-179.2	0	109.6	Q872	Q872-K884 CarbonylContact O-C 3.6Å; Q872-K884 WeakPolarHBondContact O-CA 3.32Å
885	V	82.5	Confident	78.1	Confident	24 Å²	24	57.9 Å²	57.9	15%	0.145	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126	175.1	178.9	0	0	0	0	108.5	I676 A685 L871 Q872 D874 A883	I676-V885 HydrophobicContact CG2-CG1 4.18Å; A685-V885 HydrophobicContact CB-CG1 3.98Å; L871-V885 CarbonylContact C-O 3.53Å; L871-V885 WeakPolarHBondContact CA-O 3.5Å; Q872-V885 PolarHBondContact N-O 3.26Å; Q872-V885 PolarHBondContact O-N 3.18Å; D874-V885 HydrophobicContact CB-CG2 3.63Å; A883-V885 PolarHBondContact O-N 2.94Å
886	S	87.3	Confident	78.7	Confident	47 Å²	47	58 Å²	58	33%	0.329	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.7	169.8	-170.4	0	0	0	0	109.4	R869 G870	R869-S886 PolarHBondContact NE-OG 3.22Å; R869-S886 PolarHBondContact NH2-OG 2.76Å; G870-S886 WeakPolarHBondContact O-CA 3.49Å
887	C	90.4	Very high	79.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.7	-178.7	56.4	0	0	0	0	112.3	A685 C687 G870	A685-C887 HydrophobicContact CB-CB 3.78Å; A685-C887 VanDerWaalsContact O-CA 3.25Å; A685-C887 WeakPolarHBondContact O-CA 3.41Å; A685-C887 VanDerWaalsContact O-CB 3.24Å; A685-C887 WeakPolarHBondContact O-CB 3.5Å; C687-C887 HydrophobicContact CB-CB 3.96Å; C687-C887 WeakPolarHBondContact CB-SG 3.5Å; C687-C887 WeakPolarHBondContact SG-CB 3.47Å; C687-C887 CovalentContact SG-SG 2.02Å; C687-C887 PolarHBondContact SG-SG 3.03Å; G870-C887 PolarHBondContact N-O 3.01Å; G870-C887 PolarHBondContact O-N 3.2Å
888	W	91.9	Very high	81.2	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	120.1	166.8	-67	108.4	0	0	0	109.4	D684 A685 L686 C687 V842 I845 A856 M858 V867 R869 I890	D684-W888 PolarHBondContact OD2-NE1 2.84Å; A685-W888 PolarHBondContact O-N 2.89Å; L686-W888 HydrophobicContact CD2-CB 4.17Å; C687-W888 PolarHBondContact N-O 3.35Å; V842-W888 HydrophobicContact CG1-CD2 4.5Å; V842-W888 HydrophobicContact CG1-CH2 4.14Å; V842-W888 HydrophobicContact CG1-CZ2 3.81Å; I845-W888 HydrophobicContact CD1-CH2 4.4Å; I845-W888 HydrophobicContact CG1-CH2 4.45Å; A856-W888 HydrophobicContact CB-CE3 4.3Å; A856-W888 HydrophobicContact CB-CH2 3.8Å; A856-W888 HydrophobicContact CB-CZ3 3.59Å; M858-W888 HydrophobicContact CE-CB 3.51Å; M858-W888 HydrophobicContact CE-CG 3.75Å; V867-W888 HydrophobicContact CB-CB 4.23Å; V867-W888 HydrophobicContact CB-CE3 4.34Å; V867-W888 HydrophobicContact CG2-CB 4.18Å; V867-W888 HydrophobicContact CG2-CD2 4.02Å; V867-W888 HydrophobicContact CG2-CE3 3.6Å; V867-W888 HydrophobicContact CG2-CG 4.28Å; V867-W888 HydrophobicContact CG2-CZ3 4.32Å; R869-W888 HydrophobicContact CB-CE3 3.96Å; R869-W888 HydrophobicContact CB-CH2 4.07Å; R869-W888 HydrophobicContact CB-CZ3 3.62Å; R869-W888 HydrophobicContact CG-CZ3 4.42Å; W888-I890 VanDerWaalsContact O-CD1 3.29Å; W888-I890 WeakPolarHBondContact O-CD1 3.5Å
889	F	90	Very high	82.5	Confident	42 Å²	42	49.3 Å²	49.3	18%	0.184	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.6	179.3	-164.6	-89.8	0	0	0	110.4	C687 N689 V867 T868 H891	C687-F889 HydrophobicContact CB-CD2 4.13Å; C687-F889 CarbonylContact O-C 3.59Å; C687-F889 VanDerWaalsContact O-CA 3.3Å; C687-F889 WeakPolarHBondContact O-CA 3.45Å; N689-F889 HydrophobicContact CB-CZ 4.21Å; N689-F889 WeakPolarHBondContact OD1-CE2 3.33Å; V867-F889 VanDerWaalsContact CA-O 3.28Å; V867-F889 WeakPolarHBondContact CA-O 3.34Å; V867-F889 WeakPolarHBondContact CB-O 3.42Å; T868-F889 PolarHBondContact N-O 3.31Å; T868-F889 VanDerWaalsContact O-CB 3.29Å; T868-F889 WeakPolarHBondContact O-CB 3.38Å; T868-F889 PolarHBondContact O-N 2.99Å; F889-H891 AromaticContact CD1-CE1 3.79Å; F889-H891 AromaticContact CD1-ND1 3.66Å; F889-H891 AromaticContact CE1-ND1 3.87Å
890	I	91.4	Very high	83.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.7	175.4	-61.3	74.3	0	0	0	107.5	L686 C687 F688 L865 V867 W888 L897	L686-I890 HydrophobicContact CB-CD1 4.03Å; L686-I890 HydrophobicContact CD2-CD1 4.34Å; C687-I890 WeakPolarHBondContact O-CD1 3.43Å; C687-I890 PolarHBondContact O-N 3.17Å; F688-I890 HydrophobicContact CB-CB 4.24Å; L865-I890 HydrophobicContact CD1-CG2 4.28Å; V867-I890 HydrophobicContact CG1-CD1 4.43Å; V867-I890 HydrophobicContact CG1-CG1 3.95Å; W888-I890 VanDerWaalsContact O-CD1 3.29Å; W888-I890 WeakPolarHBondContact O-CD1 3.5Å; I890-L897 HydrophobicContact CB-CD2 4.47Å; I890-L897 HydrophobicContact CD1-CD2 3.72Å; I890-L897 HydrophobicContact CG1-CB 4.17Å; I890-L897 HydrophobicContact CG1-CD2 3.85Å; I890-L897 HydrophobicContact CG2-CB 4.17Å
891	H	87.1	Confident	85.2	Confident	74 Å²	74	44.2 Å²	44.2	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-73.2	175.9	179.5	-60.5	-68.8	0	0	0	112.4	T868 F889 G894	T868-H891 PolarHBondContact OG1-NE2 3.3Å; F889-H891 AromaticContact CD1-CE1 3.79Å; F889-H891 AromaticContact CD1-ND1 3.66Å; F889-H891 AromaticContact CE1-ND1 3.87Å; H891-G894 PolarHBondContact O-N 2.84Å
892	N	86.5	Confident	86.3	Confident	138 Å²	138	40.7 Å²	40.7	74%	0.738	24%	0.239	S	C	*	.	H	α-helix	trans	56.4	52.8	173.6	-57.8	-27.2	0	0	0	113.3	G894 A895	N892-G894 VanDerWaalsContact C-N 3.26Å; N892-G894 PolarHBondContact O-N 3.28Å; N892-A895 HydrophobicContact CB-CB 4.02Å; N892-A895 WeakPolarHBondContact O-CB 3.48Å; N892-A895 PolarHBondContact O-N 3.22Å
893	N	87	Confident	87.4	Confident	27 Å²	27	43.3 Å²	43.3	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	55.6	37.1	177.1	-66.2	-18.1	0	0	0	114.1	N689 I690 N691 A895 Y902	N689-N893 VanDerWaalsContact O-CA 3.26Å; N689-N893 WeakPolarHBondContact O-CA 3.13Å; I690-N893 HydrophobicContact CD1-CB 3.93Å; I690-N893 WeakPolarHBondContact CD1-O 3.25Å; N691-N893 PolarHBondContact N-OD1 2.79Å; N893-A895 VanDerWaalsContact C-N 3.26Å; N893-A895 PolarHBondContact O-N 2.86Å; N893-Y902 HydrophobicContact CB-CD1 3.57Å; N893-Y902 HydrophobicContact CB-CE1 4.1Å; N893-Y902 HydrophobicContact CB-CG 3.97Å; N893-Y902 WeakPolarHBondContact ND2-CE1 3.4Å
894	G	87.5	Confident	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	74.4	12.8	-179	0	0	0	0	0	114.3	H891 N892 G896 L897 I898	H891-G894 PolarHBondContact O-N 2.84Å; N892-G894 VanDerWaalsContact C-N 3.26Å; N892-G894 PolarHBondContact O-N 3.28Å; G894-G896 PolarHBondContact O-N 2.03Å; G894-L897 WeakPolarHBondContact O-CB 3.45Å; G894-L897 PolarHBondContact O-N 3.3Å; G894-I898 PolarHBondContact O-N 3.02Å; G894-I898 VanDerWaalsContact O-N 3.14Å
895	A	87.4	Confident	88.7	Confident	49 Å²	49	40 Å²	40	41%	0.405	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	129.8	-177.5	0	0	0	0	0	111.9	N892 N893 L897	N892-A895 HydrophobicContact CB-CB 4.02Å; N892-A895 WeakPolarHBondContact O-CB 3.48Å; N892-A895 PolarHBondContact O-N 3.22Å; N893-A895 VanDerWaalsContact C-N 3.26Å; N893-A895 PolarHBondContact O-N 2.86Å; A895-L897 VanDerWaalsContact C-N 3.26Å; A895-L897 PolarHBondContact O-N 3.11Å
896	G	85.8	Confident	89.2	Confident	12 Å²	12	42 Å²	42	12%	0.124	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-21.7	-178.7	0	0	0	0	0	114.9	R863 G894	R863-G896 WeakPolarHBondContact CD-O 3.24Å; G894-G896 PolarHBondContact O-N 2.03Å
897	L	90.6	Very high	89.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-48.9	169.8	174.9	66.5	0	0	0	111.2	I677 L686 F688 F834 I838 V860 K861 L865 I890 G894 A895	I677-L897 HydrophobicContact CD1-CD2 4.2Å; L686-L897 HydrophobicContact CB-CD2 4.4Å; L686-L897 HydrophobicContact CD1-CD1 3.74Å; L686-L897 HydrophobicContact CD1-CD2 4.32Å; F688-L897 HydrophobicContact CD1-CD2 4Å; F688-L897 HydrophobicContact CE1-CD2 4.43Å; F834-L897 HydrophobicContact CE1-CD1 3.98Å; F834-L897 HydrophobicContact CE1-CG 4.07Å; F834-L897 HydrophobicContact CZ-CD1 4.29Å; F834-L897 HydrophobicContact CZ-CD2 4.35Å; F834-L897 HydrophobicContact CZ-CG 3.86Å; I838-L897 HydrophobicContact CD1-CD1 4.15Å; V860-L897 HydrophobicContact CG1-CD1 4.23Å; V860-L897 HydrophobicContact CG2-CD1 3.9Å; K861-L897 WeakPolarHBondContact CE-O 3.03Å; K861-L897 PolarHBondContact NZ-O 3.28Å; L865-L897 HydrophobicContact CD1-CB 4.29Å; I890-L897 HydrophobicContact CB-CD2 4.47Å; I890-L897 HydrophobicContact CD1-CD2 3.72Å; I890-L897 HydrophobicContact CG1-CB 4.17Å; I890-L897 HydrophobicContact CG1-CD2 3.85Å; I890-L897 HydrophobicContact CG2-CB 4.17Å; G894-L897 WeakPolarHBondContact O-CB 3.45Å; G894-L897 PolarHBondContact O-N 3.3Å; A895-L897 VanDerWaalsContact C-N 3.26Å; A895-L897 PolarHBondContact O-N 3.11Å
898	I	91.8	Very high	89.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-74.2	152	175.1	67	-179.1	0	0	0	110.7	F688 L830 F834 G894 Y905	F688-I898 HydrophobicContact CE2-CG2 4.19Å; F688-I898 HydrophobicContact CZ-CG2 4.07Å; L830-I898 HydrophobicContact CD2-CD1 4.35Å; F834-I898 HydrophobicContact CE2-CG2 4.3Å; F834-I898 HydrophobicContact CZ-CG2 4.2Å; G894-I898 PolarHBondContact O-N 3.02Å; G894-I898 VanDerWaalsContact O-N 3.14Å; I898-Y905 HydrophobicContact CB-CE2 4.47Å; I898-Y905 HydrophobicContact CD1-CE2 4.21Å
899	D	89.5	Confident	89.2	Confident	64 Å²	64	52 Å²	52	34%	0.342	31%	0.307	S	S	.	.	S	Bend	trans	-70.5	132.6	170.6	-61.9	-33.7	0	0	0	110	H828 Q833 K861 Y905	H828-D899 IonicContact CE1-OD2 3.35Å; H828-D899 IonicContact NE2-OD2 3.63Å; Q833-D899 PolarHBondContact OE1-OD2 2.85Å; K861-D899 VanDerWaalsContact NZ-CG 3.25Å; K861-D899 IonicContact NZ-OD1 2.65Å; K861-D899 PolarHBondContact NZ-OD1 3.3Å; K861-D899 IonicContact NZ-OD2 2.75Å; K861-D899 PolarHBondContact NZ-OD2 3.39Å; D899-Y905 WeakPolarHBondContact O-CE2 3.34Å; D899-Y905 PolarHBondContact O-OH 2.91Å
900	G	87.9	Confident	89.2	Confident	46 Å²	46	50.2 Å²	50.2	47%	0.474	30%	0.299	S	S	.	.	S	Bend	trans	69	-147.1	-175.8	0	0	0	0	0	114.1	D904	G900-D904 WeakPolarHBondContact CA-OD2 3.12Å
901	A	87.4	Confident	89.1	Confident	44 Å²	44	52.9 Å²	52.9	36%	0.364	31%	0.31	S	S	.	.			trans	-108.7	155.9	172	0	0	0	0	0	110.1	T903 D904	A901-T903 PolarHBondContact O-N 3.06Å; A901-T903 VanDerWaalsContact O-N 3.13Å; A901-D904 PolarHBondContact N-OD2 3.15Å; A901-D904 VanDerWaalsContact O-CB 3.26Å; A901-D904 WeakPolarHBondContact O-CB 3.34Å; A901-D904 PolarHBondContact O-N 3.02Å
902	Y	86.3	Confident	89.2	Confident	55 Å²	55	51.9 Å²	51.9	22%	0.216	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.8	-27.1	-179.1	76.2	-88.3	0	0	0	112.6	I690 E692 N893 D904 Y905 I906	I690-Y902 HydrophobicContact CD1-CG 4.33Å; I690-Y902 HydrophobicContact CG2-CD2 4.21Å; E692-Y902 HydrophobicContact CG-CD2 4.08Å; E692-Y902 HydrophobicContact CG-CE2 3.47Å; E692-Y902 VanDerWaalsContact CG-CE2 3.47Å; E692-Y902 WeakPolarHBondContact OE1-CE2 3.32Å; E692-Y902 PolarHBondContact OE1-OH 3.47Å; N893-Y902 HydrophobicContact CB-CD1 3.57Å; N893-Y902 HydrophobicContact CB-CE1 4.1Å; N893-Y902 HydrophobicContact CB-CG 3.97Å; N893-Y902 WeakPolarHBondContact ND2-CE1 3.4Å; Y902-D904 PolarHBondContact O-N 2.98Å; Y902-Y905 PolarHBondContact O-N 2.94Å; Y902-Y905 VanDerWaalsContact O-N 3.09Å; Y902-I906 HydrophobicContact CE2-CD1 4.34Å
903	T	89.9	Confident	89.4	Confident	68 Å²	68	47.3 Å²	47.3	42%	0.417	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.4	175.4	49.5	0	0	0	0	112.9	A901 Y905 I906	A901-T903 PolarHBondContact O-N 3.06Å; A901-T903 VanDerWaalsContact O-N 3.13Å; T903-Y905 PolarHBondContact O-N 2.94Å; T903-I906 HydrophobicContact CG2-CD1 4.27Å; T903-I906 WeakPolarHBondContact O-CB 3.06Å; T903-I906 PolarHBondContact O-N 2.76Å
904	D	91	Very high	89.5	Confident	109 Å²	109	48.4 Å²	48.4	58%	0.583	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-70.4	-15.5	178.2	-55.8	-26.6	0	0	0	112	G900 A901 Y902	G900-D904 WeakPolarHBondContact CA-OD2 3.12Å; A901-D904 PolarHBondContact N-OD2 3.15Å; A901-D904 VanDerWaalsContact O-CB 3.26Å; A901-D904 WeakPolarHBondContact O-CB 3.34Å; A901-D904 PolarHBondContact O-N 3.02Å; Y902-D904 PolarHBondContact O-N 2.98Å
905	Y	93.4	Very high	89.6	Confident	20 Å²	20	51.3 Å²	51.3	8%	0.078	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-99.9	4.9	177.2	-57	-82.4	0	0	0	113	L698 S699 H828 L830 Q833 I898 D899 Y902 T903	L698-Y905 WeakPolarHBondContact CA-O 3.42Å; S699-Y905 PolarHBondContact N-O 3.27Å; H828-Y905 PolarHBondContact CE1-OH 3.43Å; L830-Y905 HydrophobicContact CD2-CD1 4.42Å; L830-Y905 HydrophobicContact CD2-CD2 3.46Å; L830-Y905 VanDerWaalsContact CD2-CD2 3.46Å; L830-Y905 HydrophobicContact CD2-CE2 3.93Å; L830-Y905 HydrophobicContact CD2-CG 3.71Å; L830-Y905 HydrophobicContact CG-CD1 4.18Å; L830-Y905 HydrophobicContact CG-CD2 4.03Å; L830-Y905 HydrophobicContact CG-CG 3.72Å; Q833-Y905 PolarHBondContact NE2-OH 2.77Å; I898-Y905 HydrophobicContact CB-CE2 4.47Å; I898-Y905 HydrophobicContact CD1-CE2 4.21Å; D899-Y905 WeakPolarHBondContact O-CE2 3.34Å; D899-Y905 PolarHBondContact O-OH 2.91Å; Y902-Y905 PolarHBondContact O-N 2.94Å; Y902-Y905 VanDerWaalsContact O-N 3.09Å; T903-Y905 PolarHBondContact O-N 2.94Å
906	I	93.4	Very high	89.8	Confident	66 Å²	66	51.4 Å²	51.4	34%	0.338	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.5	174.4	-62.2	175.4	0	0	0	109	V696 I697 L698 Y902 T903	V696-I906 HydrophobicContact CG1-CD1 4.05Å; V696-I906 HydrophobicContact CG1-CG1 3.91Å; V696-I906 HydrophobicContact CG1-CG2 4.03Å; I697-I906 WeakPolarHBondContact O-CA 3.39Å; L698-I906 HydrophobicContact CD2-CG1 4.02Å; Y902-I906 HydrophobicContact CE2-CD1 4.34Å; T903-I906 HydrophobicContact CG2-CD1 4.27Å; T903-I906 WeakPolarHBondContact O-CB 3.06Å; T903-I906 PolarHBondContact O-N 2.76Å
907	I	92.6	Very high	90	Very high	57 Å²	57	54.1 Å²	54.1	29%	0.292	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	158.5	179.8	61.7	176	0	0	0	111.2	I697 N711 D909	I697-I907 HydrophobicContact CB-CG1 3.99Å; I697-I907 HydrophobicContact CG2-CD1 3.9Å; I697-I907 HydrophobicContact CG2-CG1 3.59Å; I697-I907 PolarHBondContact O-N 3.44Å; N711-I907 HydrophobicContact CB-CD1 3.74Å; N711-I907 WeakPolarHBondContact ND2-CD1 3.37Å; N711-I907 VanDerWaalsContact OD1-CD1 3.28Å; N711-I907 WeakPolarHBondContact OD1-CD1 3.47Å; I907-D909 WeakPolarHBondContact CD1-O 3.28Å; I907-D909 WeakPolarHBondContact CG1-O 3.45Å
908	S	88.4	Confident	90	Very high	126 Å²	126	57.9 Å²	57.9	88%	0.881	34%	0.34	S	S	*	.	S	Bend	trans	-87.2	-20.8	-176.3	56.8	0	0	0	0	114.3
909	D	89	Confident	89.9	Confident	93 Å²	93	62.4 Å²	62.4	50%	0.497	37%	0.366	S	S	.	.			trans	-131.1	154.9	-178.2	-160.3	-81.1	0	0	0	111.2	I907 F911	I907-D909 WeakPolarHBondContact CD1-O 3.28Å; I907-D909 WeakPolarHBondContact CG1-O 3.45Å; D909-F911 PolarHBondContact OD1-N 3.16Å
910	I	89.7	Confident	89.9	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	37%	0.368	C	S	.	.			trans	-84.6	-17.1	-177.9	-160.2	67.4	0	0	0	112.2	I697 N711 Q713	I697-I910 HydrophobicContact CD1-CB 4.32Å; I697-I910 HydrophobicContact CG2-CD1 3.56Å; N711-I910 HydrophobicContact CB-CD1 4Å; N711-I910 WeakPolarHBondContact CB-O 3.38Å; N711-I910 PolarHBondContact ND2-O 3.25Å; Q713-I910 HydrophobicContact CB-CD1 4.22Å
911	F	89.8	Confident	90.1	Very high	59 Å²	59	63.7 Å²	63.7	26%	0.259	36%	0.359	S	S	.	.			trans	-120	0	-177.9	-71.1	-60.9	0	0	0	114.9	A736 Q743 E745 P755 D909	A736-F911 HydrophobicContact CB-CD1 3.77Å; Q743-F911 HydrophobicContact CB-CD1 3.94Å; Q743-F911 HydrophobicContact CB-CE1 3.72Å; Q743-F911 HydrophobicContact CB-CG 4.48Å; Q743-F911 HydrophobicContact CB-CZ 4.08Å; Q743-F911 HydrophobicContact CG-CD1 3.81Å; Q743-F911 HydrophobicContact CG-CE1 4.14Å; Q743-F911 HydrophobicContact CG-CG 4.11Å; E745-F911 HydrophobicContact CB-CE2 4.43Å; E745-F911 HydrophobicContact CB-CZ 3.91Å; P755-F911 HydrophobicContact CG-CD2 4.45Å; P755-F911 HydrophobicContact CG-CE2 3.49Å; P755-F911 VanDerWaalsContact CG-CE2 3.49Å; P755-F911 HydrophobicContact CG-CZ 3.77Å; D909-F911 PolarHBondContact OD1-N 3.16Å

Retrieved 911 of 911 residues in 248 ms (Link to these results)

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