A0A3Q0KRX1_SCHMA Loading...

Putative 4.1 G protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,086 aa.

						>A0A3Q0KRX1_SCHMA|A0A3Q0KRX1
MSYAMEPPAMSTFLSDNETVGESTNLLHLEGHSWSQLQDGTIEITDRLPKKEYYMSLRRFNSTGPNSGTAHRLGSISSGSAAVLANGSSGLLGGNSSSPRPGGGTLRGSSHPSIVDFKPSGKIVDCTVVMLDGTTREFRLDKAAYGQQLLDAVCTHLGLLEVEFFGITYYDSTNNWFWLQTDQRIAKQIGKNEWQFEFQVKFYPCDIDSIKEDITRYYLCLQVRQDIVSGQLPCSFVTYCILGSYIVQSEAGDHDPSQHIGIKYIQDHPFAPHMLQTPEMLGRIVELHKLHRGKTPEEADRLFLNNARKLALYGVDLHKVKTSQGQDITLGVYYGGILLYRNRIRLMRISWPRIISLSHRGRNFIIARRPGDDSLDRNMTFKCISPTLAKRLYNVCVDHHNFFRLRGSSRPKKPSLFPSFATRKYHYPGTTMNSSSIDAPVGVDGHNQTSRPLSKFRPMPAHPSETGWFTFANRSEMDHMNGAVASQYQYQPAMVIGDPACMDPTYFCNQNVINGLPIPNAEGVQRYYQPSNNDVTGLINGHHHNSNNNHINNMPTMITRISFEPEHWRITGADCTAGLGIDARGLDVASTRGAGWQGCRANKGVKAPGAYYYEAACLEEGLIRVGWSTNDANLELGADNYGFGYGSDAVGSAGINGTGRVMHRNSGHDYGIMVHQGDVIGCLLDLDKGSISWSCNGKIFRRAFTIPDQLRGEAFLPAASLKDSRILFNFGEEQPLEFPPDGPFIPVAQSADDSQVSNRNPGWRMNQYDATNALDVAPDGSQVQSHFNQGWQGCRSNHGIRGLGRFYFEVTPIESTGLWRVGWSTDDGNLIIGTDQYGFGYGADNEGFGLNGQQGKRIHCDEIENYGEAFSKDDVIGCFLDTIEHTIKWSKNGLEFGDAYQIPSELLHSKNLTALYPTVSLLNSTVELNFGDKPFKYYPGPDWTPVCCAPPECTKRSRRKGPERKVKGWSYIDPTILEPSIRQTMQSIERSEPQIETETFHDENGKMIKRIVKRSEVTTTKTVSERIIASTTGQIVHTNGHPISSNDFDEDLNMALLTVTKLDPDISVLNNPVGQVEIGTKSESVL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	33.1	Very low	32.7	Very low	236 Å²	236	147.3 Å²	147.3	100%	1.163	83%	0.827	S	S	*	*				0	89.2	0	-70.1	178.3	177.5	0	0	106.1
2	S	34.3	Very low	32.7	Very low	98 Å²	98	147.3 Å²	147.3	69%	0.685	83%	0.833	S	S	*	*				70.9	112.5	107.2	55.8	0	0	0	0	111
3	Y	36.5	Very low	32.2	Very low	230 Å²	230	150.6 Å²	150.6	90%	0.902	83%	0.833	S	S	*	*				-151.6	153.8	69.7	-79.8	-95	0	0	0	110.7
4	A	36	Very low	32	Very low	93 Å²	93	150.9 Å²	150.9	77%	0.769	83%	0.832	S	S	*	*			cis	-165.7	152	-7.6	0	0	0	0	0	109.6
5	M	29.5	Very low	31.6	Very low	181 Å²	181	147.4 Å²	147.4	89%	0.892	82%	0.822	S	S	*	*			trans	-85.5	163.6	172	-69.1	-172.6	142.3	0	0	110.5
6	E	30.3	Very low	31.5	Very low	183 Å²	183	147.9 Å²	147.9	86%	0.855	82%	0.822	S	S	*	*				-174.4	161.4	71.7	-86.1	-175.8	149.9	0	0	113.8
7	P	31.9	Very low	31.2	Very low	116 Å²	116	148.5 Å²	148.5	75%	0.753	82%	0.824	S	S	*	*			trans	-112.7	-158.4	166.7	42.7	-28.1	0	0	0	112.6
8	P	43.2	Very low	31.1	Very low	118 Å²	118	150 Å²	150	77%	0.766	82%	0.824	S	S	*	*				-130	-169.3	-94.9	41.2	-21.3	0	0	0	117.3
9	A	29.4	Very low	30.9	Very low	94 Å²	94	150.1 Å²	150.1	78%	0.777	83%	0.829	S	S	*	*			trans	92.8	147.9	159.2	0	0	0	0	0	118
10	M	28.8	Very low	30.8	Very low	176 Å²	176	147.3 Å²	147.3	87%	0.867	82%	0.816	S	S	*	*			cis	-158.6	141	22.9	-88.2	-167.2	-96.1	0	0	111
11	S	27.2	Very low	30.7	Very low	95 Å²	95	143.4 Å²	143.4	66%	0.664	81%	0.809	S	S	*	*				80.4	130.9	104.7	88.6	0	0	0	0	120.8
12	T	31.9	Very low	30.4	Very low	147 Å²	147	140.6 Å²	140.6	90%	0.902	79%	0.793	S	S	*	*			trans	-163.1	141.2	133.7	25.2	0	0	0	0	112.8
13	F	26.7	Very low	30	Very low	191 Å²	191	140.7 Å²	140.7	84%	0.838	79%	0.794	S	S	*	*			trans	-82.3	161	-178.4	-80.6	-106.7	0	0	0	112.7
14	L	28.6	Very low	29.6	Very low	155 Å²	155	136.3 Å²	136.3	81%	0.812	79%	0.792	S	S	*	*				-175.2	150.4	70.9	-87.2	168.7	0	0	0	113.7
15	S	26.7	Very low	29.2	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	78%	0.78	S	S	*	*			trans	51.1	124	152.4	64.4	0	0	0	0	120.5
16	D	30.7	Very low	29.2	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	77%	0.771	S	S	*	*				-152.2	157.6	66.5	-82.2	-38.8	0	0	0	115.1
17	N	26.2	Very low	29.2	Very low	159 Å²	159	130.5 Å²	130.5	85%	0.85	76%	0.756	S	S	*	*			trans	-15.3	116.6	168.2	-81.1	-20.2	0	0	0	119
18	E	28.5	Very low	29.4	Very low	175 Å²	175	133.5 Å²	133.5	82%	0.818	76%	0.76	S	S	*	*			trans	-148.1	104.5	139.3	-76.6	-161.9	150.3	0	0	111.1	V20	E18-V20 HydrophobicContact CB-CG2 4.02Å; E18-V20 PolarHBondContact O-N 3.3Å
19	T	28.2	Very low	28.9	Very low	151 Å²	151	134 Å²	134	93%	0.926	76%	0.755	S	S	*	*			trans	-78.5	93	157.4	38.9	0	0	0	0	108.4	G21	T19-G21 PolarHBondContact O-N 2.98Å
20	V	28.8	Very low	29.1	Very low	95 Å²	95	136.5 Å²	136.5	58%	0.576	75%	0.751	S	S	*	*			trans	-82.1	96.5	173.7	-174.3	0	0	0	0	109.1	E18 E22	E18-V20 HydrophobicContact CB-CG2 4.02Å; E18-V20 PolarHBondContact O-N 3.3Å; V20-E22 HydrophobicContact CG1-CB 4.34Å; V20-E22 HydrophobicContact CG1-CG 3.72Å
21	G	27.8	Very low	29.1	Very low	65 Å²	65	131.4 Å²	131.4	67%	0.67	74%	0.743	S	S	*	*			trans	-78.7	102.1	146.2	0	0	0	0	0	107.1	T19 S23	T19-G21 PolarHBondContact O-N 2.98Å; G21-S23 PolarHBondContact O-N 2.8Å
22	E	28.1	Very low	29.6	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	74%	0.741	S	S	*	*			trans	-68.5	79.4	168.5	-99.3	176.8	-179	0	0	108.6	V20 T24	V20-E22 HydrophobicContact CG1-CB 4.34Å; V20-E22 HydrophobicContact CG1-CG 3.72Å; E22-T24 PolarHBondContact O-N 3.24Å
23	S	26	Very low	29.5	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	74%	0.739	S	S	*	*			trans	-62	110.4	148.3	49.8	0	0	0	0	106.3	G21 N25	G21-S23 PolarHBondContact O-N 2.8Å; S23-N25 VanDerWaalsContact C-N 3.28Å; S23-N25 PolarHBondContact O-N 3.38Å
24	T	27.8	Very low	30.3	Very low	138 Å²	138	129 Å²	129	85%	0.847	72%	0.722	S	S	*	*			trans	-56.3	96.5	169.1	29.5	0	0	0	0	108.5	E22 L26	E22-T24 PolarHBondContact O-N 3.24Å; T24-L26 PolarHBondContact O-N 3.3Å
25	N	26.6	Very low	30.8	Very low	98 Å²	98	125 Å²	125	52%	0.524	71%	0.707	S	S	.	*			trans	-76.8	107.5	179	-158.1	-11.6	0	0	0	107.5	S23 L27 H28	S23-N25 VanDerWaalsContact C-N 3.28Å; S23-N25 PolarHBondContact O-N 3.38Å; N25-L27 PolarHBondContact O-N 2.73Å; N25-L27 WeakPolarHBondContact OD1-CB 3.44Å; N25-L27 WeakPolarHBondContact OD1-CD1 3.49Å; N25-L27 PolarHBondContact OD1-N 3.01Å; N25-H28 PolarHBondContact O-N 3.2Å; N25-H28 VanDerWaalsContact O-N 3.11Å
26	L	29.1	Very low	31.4	Very low	134 Å²	134	126.9 Å²	126.9	70%	0.702	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-56.6	-11.4	174.6	-102.6	143.8	0	0	0	112.9	T24 H28 L29	T24-L26 PolarHBondContact O-N 3.3Å; L26-H28 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 3.44Å
27	L	30.7	Very low	32.2	Very low	104 Å²	104	123.5 Å²	123.5	55%	0.545	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-62.3	-18.7	170.3	-85.6	148.8	0	0	0	114.4	N25 L29 E30	N25-L27 PolarHBondContact O-N 2.73Å; N25-L27 WeakPolarHBondContact OD1-CB 3.44Å; N25-L27 WeakPolarHBondContact OD1-CD1 3.49Å; N25-L27 PolarHBondContact OD1-N 3.01Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.48Å; L27-E30 WeakPolarHBondContact CD2-OE2 3.37Å; L27-E30 PolarHBondContact O-N 3.45Å; L27-E30 VanDerWaalsContact O-N 3.15Å
28	H	35.5	Very low	32.9	Very low	179 Å²	179	126.1 Å²	126.1	83%	0.829	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-78.5	-6.5	175.3	-118.3	98.5	0	0	0	114	N25 L26	N25-H28 PolarHBondContact O-N 3.2Å; N25-H28 VanDerWaalsContact O-N 3.11Å; L26-H28 PolarHBondContact O-N 3.39Å
29	L	33.6	Very low	34.1	Very low	129 Å²	129	123.5 Å²	123.5	68%	0.675	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-90.3	-7	164.7	-105.7	96.5	0	0	0	113.1	L26 L27 G31	L26-L29 PolarHBondContact O-N 3.44Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 PolarHBondContact O-N 3.48Å; L29-G31 VanDerWaalsContact C-N 3.32Å
30	E	33	Very low	34.5	Very low	146 Å²	146	118.2 Å²	118.2	68%	0.682	66%	0.661	S	S	*	*	S	Bend	trans	-90.7	9	179.9	-65.8	-173.3	161.3	0	0	113.1	L27 H32	L27-E30 WeakPolarHBondContact CD2-OE2 3.37Å; L27-E30 PolarHBondContact O-N 3.45Å; L27-E30 VanDerWaalsContact O-N 3.15Å; E30-H32 PolarHBondContact O-N 3.05Å
31	G	29.8	Very low	35	Very low	68 Å²	68	116.8 Å²	116.8	70%	0.701	65%	0.652	S	S	*	*			trans	-85.5	5.2	-178.9	0	0	0	0	0	116.5	L29	L29-G31 VanDerWaalsContact C-N 3.32Å
32	H	36.5	Very low	35.7	Very low	134 Å²	134	118 Å²	118	62%	0.62	64%	0.642	S	S	*	*			trans	-96.6	110.4	176.3	-69.4	65.1	0	0	0	109.1	E30 W34	E30-H32 PolarHBondContact O-N 3.05Å; H32-W34 PolarHBondContact O-N 2.89Å; H32-W34 PolarHBondContact O-NE1 3.26Å
33	S	31.5	Very low	36.5	Very low	123 Å²	123	113.9 Å²	113.9	86%	0.86	62%	0.623	S	S	*	*			trans	-67.2	102.5	171.6	61.6	0	0	0	0	109
34	W	41.9	Very low	37.4	Very low	126 Å²	126	112.3 Å²	112.3	48%	0.477	61%	0.606	S	S	.	*			trans	-73.5	126.3	169.9	-56.5	92	0	0	0	108.4	H32 Q36 I42	H32-W34 PolarHBondContact O-N 2.89Å; H32-W34 PolarHBondContact O-NE1 3.26Å; W34-Q36 VanDerWaalsContact C-N 3.28Å; W34-Q36 PolarHBondContact O-N 2.79Å; W34-I42 HydrophobicContact CB-CG2 4.21Å; W34-I42 HydrophobicContact CD2-CG2 4.35Å; W34-I42 HydrophobicContact CE3-CG2 3.96Å; W34-I42 HydrophobicContact CG-CG2 4.46Å
35	S	39.9	Very low	38.3	Very low	71 Å²	71	108.6 Å²	108.6	50%	0.497	58%	0.583	S	S	.	*			trans	-66	92.9	168.7	32.7	0	0	0	0	108.2	L37 E43	S35-L37 PolarHBondContact O-N 2.71Å; S35-E43 PolarHBondContact OG-OE2 2.88Å
36	Q	39.6	Very low	39.5	Very low	138 Å²	138	107.5 Å²	107.5	65%	0.645	58%	0.578	S	S	*	*	B	Isolated β-bridge	trans	-71.6	117.6	170.2	-162.6	169.5	20.7	0	0	107.1	W34 G40	W34-Q36 VanDerWaalsContact C-N 3.28Å; W34-Q36 PolarHBondContact O-N 2.79Å; Q36-G40 PolarHBondContact NE2-O 2.79Å
37	L	48.1	Very low	40.7	Very low	83 Å²	83	109 Å²	109	44%	0.435	57%	0.574	S	S	.	*			trans	-64.3	155.9	173	-63.1	168.7	0	0	0	108.4	S35 D39 G40 T41	S35-L37 PolarHBondContact O-N 2.71Å; L37-D39 PolarHBondContact O-N 3.32Å; L37-G40 PolarHBondContact O-N 3.48Å; L37-T41 PolarHBondContact N-O 3.24Å
38	Q	40.5	Very low	42.1	Very low	215 Å²	215	106.1 Å²	106.1	100%	1.005	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-18.1	-174	-76.5	-178.5	-16.9	0	0	114.1
39	D	52.7	Low	43.6	Very low	119 Å²	119	101.1 Å²	101.1	64%	0.636	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	3.3	178	70.6	-5.1	0	0	0	114.3	L37 T41	L37-D39 PolarHBondContact O-N 3.32Å; D39-T41 WeakPolarHBondContact OD1-CB 3.48Å; D39-T41 PolarHBondContact OD1-N 3.23Å; D39-T41 PolarHBondContact OD1-OG1 3.41Å; D39-T41 PolarHBondContact OD2-OG1 3.33Å
40	G	37.8	Very low	45.5	Very low	41 Å²	41	95.4 Å²	95.4	42%	0.423	51%	0.512	S	S	.	.	S	Bend	trans	86	2.8	-179.5	0	0	0	0	0	114.8	Q36 L37	Q36-G40 PolarHBondContact NE2-O 2.79Å; L37-G40 PolarHBondContact O-N 3.48Å
41	T	38.2	Very low	47.5	Very low	64 Å²	64	91.5 Å²	91.5	39%	0.393	49%	0.492	S	S	.	.			trans	-81.4	147.9	173.9	59.9	0	0	0	0	112.4	L37 D39	L37-T41 PolarHBondContact N-O 3.24Å; D39-T41 WeakPolarHBondContact OD1-CB 3.48Å; D39-T41 PolarHBondContact OD1-N 3.23Å; D39-T41 PolarHBondContact OD1-OG1 3.41Å; D39-T41 PolarHBondContact OD2-OG1 3.33Å
42	I	43.9	Very low	49.6	Very low	90 Å²	90	92.9 Å²	92.9	46%	0.462	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-95.5	124.3	177.7	-60.1	170.3	0	0	0	107.5	W34 I44	W34-I42 HydrophobicContact CB-CG2 4.21Å; W34-I42 HydrophobicContact CD2-CG2 4.35Å; W34-I42 HydrophobicContact CE3-CG2 3.96Å; W34-I42 HydrophobicContact CG-CG2 4.46Å; I42-I44 PolarHBondContact O-N 2.82Å
43	E	44	Very low	51.7	Low	92 Å²	92	87.1 Å²	87.1	43%	0.43	45%	0.454	S	S	.	.			trans	-70.6	105.9	171.1	-169.5	179.7	-169.9	0	0	109.5	S35 T45	S35-E43 PolarHBondContact OG-OE2 2.88Å; E43-T45 HydrophobicContact CG-CG2 4.23Å; E43-T45 PolarHBondContact O-N 3.06Å
44	I	44.9	Very low	54	Low	66 Å²	66	81.5 Å²	81.5	34%	0.338	41%	0.414	S	S	.	.			trans	-86.7	105.3	171.7	-62.2	158.9	0	0	0	106.8	I42 Y53 L57	I42-I44 PolarHBondContact O-N 2.82Å; I44-Y53 HydrophobicContact CG2-CD2 4.12Å; I44-Y53 HydrophobicContact CG2-CE2 3.82Å; I44-L57 HydrophobicContact CD1-CD2 3.92Å; I44-L57 HydrophobicContact CG2-CD2 4.36Å
45	T	47.4	Very low	55.6	Low	61 Å²	61	77.8 Å²	77.8	37%	0.374	40%	0.402	S	S	.	.			trans	-81.6	119.4	176.7	50.8	0	0	0	0	109.8	E43 R47 L48	E43-T45 HydrophobicContact CG-CG2 4.23Å; E43-T45 PolarHBondContact O-N 3.06Å; T45-R47 PolarHBondContact O-N 2.97Å; T45-L48 PolarHBondContact O-N 2.97Å
46	D	50.1	Low	57	Low	75 Å²	75	75.4 Å²	75.4	40%	0.401	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	14.9	177.5	-156.5	9	0	0	0	113.3	R451	D46-R451 PolarHBondContact O-NE 3.39Å; D46-R451 PolarHBondContact O-NH2 3.45Å; D46-R451 IonicContact OD1-CZ 3.12Å; D46-R451 IonicContact OD1-NH1 2.86Å; D46-R451 IonicContact OD1-NH2 2.94Å; D46-R451 PolarHBondContact OD1-NH2 3.05Å
47	R	54.9	Low	58.5	Low	165 Å²	165	70.8 Å²	70.8	62%	0.623	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-9.8	-179.6	-60.2	-175.2	-176.6	171.5	1.8	113.5	T45	T45-R47 PolarHBondContact O-N 2.97Å
48	L	59.7	Low	59.4	Low	44 Å²	44	70.1 Å²	70.1	23%	0.23	36%	0.357	C	S	.	.	S	Bend	trans	-66.1	147.5	177.7	-69.6	172.8	0	0	0	112	T45 K50 E52 R451	T45-L48 PolarHBondContact O-N 2.97Å; L48-K50 PolarHBondContact O-N 2.85Å; L48-E52 HydrophobicContact CB-CB 4.3Å; L48-R451 PolarHBondContact O-NE 2.9Å; L48-R451 PolarHBondContact O-NH2 2.85Å
49	P	67.8	Low	59.7	Low	73 Å²	73	67.2 Å²	67.2	47%	0.474	34%	0.337	S	S	.	.			trans	-48.1	138.1	165.9	-26.6	33.7	0	0	0	111.6	K51 E52 Y53	P49-K51 VanDerWaalsContact C-N 3.28Å; P49-K51 PolarHBondContact O-N 3.07Å; P49-E52 HydrophobicContact CB-CG 4.49Å; P49-E52 WeakPolarHBondContact CD-OE2 3.33Å; P49-E52 WeakPolarHBondContact O-CA 3.39Å; P49-E52 WeakPolarHBondContact O-CB 3.07Å; P49-E52 PolarHBondContact O-N 2.78Å; P49-Y53 PolarHBondContact O-N 3.02Å
50	K	74.3	Confident	59.1	Low	10 Å²	10	70.2 Å²	70.2	4%	0.043	34%	0.344	C	S	.	.	H	α-helix	trans	-52.5	-39.3	-167.4	-168.4	165.8	174.7	-176.2	0	114.5	L48 E52 Y53 Y54 Y217 S249 E250 D300	L48-K50 PolarHBondContact O-N 2.85Å; K50-E52 PolarHBondContact O-N 3.02Å; K50-Y53 WeakPolarHBondContact O-CB 3.27Å; K50-Y53 PolarHBondContact O-N 2.78Å; K50-Y54 HydrophobicContact CD-CE2 4.17Å; K50-Y54 HydrophobicContact CG-CD2 3.87Å; K50-Y54 HydrophobicContact CG-CE2 3.53Å; K50-Y54 WeakPolarHBondContact O-CD2 3.02Å; K50-Y54 PolarHBondContact O-N 3.03Å; K50-Y217 HydrophobicContact CB-CE2 4.46Å; K50-Y217 HydrophobicContact CD-CD2 3.92Å; K50-Y217 HydrophobicContact CD-CE2 3.43Å; K50-Y217 VanDerWaalsContact CD-CE2 3.43Å; K50-Y217 HydrophobicContact CG-CD2 4.13Å; K50-Y217 HydrophobicContact CG-CE2 3.74Å; K50-S249 WeakPolarHBondContact CE-OG 3.03Å; K50-S249 PolarHBondContact NZ-OG 2.83Å; K50-E250 WeakPolarHBondContact CD-OE1 3.2Å; K50-E250 IonicContact NZ-OE1 2.86Å; K50-E250 PolarHBondContact NZ-OE1 2.83Å; K50-D300 WeakPolarHBondContact CE-OD2 3.3Å; K50-D300 IonicContact NZ-OD1 3.62Å; K50-D300 PolarHBondContact NZ-OD1 2.83Å; K50-D300 VanDerWaalsContact NZ-OD1 3.15Å; K50-D300 IonicContact NZ-OD2 3.63Å; K50-D300 PolarHBondContact NZ-OD2 3.08Å
51	K	74.4	Confident	58.8	Low	63 Å²	63	75.9 Å²	75.9	27%	0.274	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-45.8	173.5	-178	-177.2	176.9	-174.7	0	112.1	P49 Y54 M55 H156	P49-K51 VanDerWaalsContact C-N 3.28Å; P49-K51 PolarHBondContact O-N 3.07Å; K51-Y54 PolarHBondContact O-N 3.15Å; K51-M55 HydrophobicContact CD-CE 4.35Å; K51-M55 HydrophobicContact CG-CE 4.14Å; K51-M55 HydrophobicContact CG-SD 4.43Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.25Å; K51-H156 PolarHBondContact NZ-O 2.92Å
52	E	73.8	Confident	58.4	Low	98 Å²	98	77.9 Å²	77.9	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-70.4	-37.7	-179.3	-65.3	171.8	-164.9	0	0	111.1	L48 P49 K50 M55 S56	L48-E52 HydrophobicContact CB-CB 4.3Å; P49-E52 HydrophobicContact CB-CG 4.49Å; P49-E52 WeakPolarHBondContact CD-OE2 3.33Å; P49-E52 WeakPolarHBondContact O-CA 3.39Å; P49-E52 WeakPolarHBondContact O-CB 3.07Å; P49-E52 PolarHBondContact O-N 2.78Å; K50-E52 PolarHBondContact O-N 3.02Å; E52-M55 PolarHBondContact O-N 3.3Å; E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 3.27Å
53	Y	81.2	Confident	57.8	Low	13 Å²	13	80.6 Å²	80.6	5%	0.051	40%	0.402	C	S	.	.	H	α-helix	trans	-53.8	-55.5	169.8	174.2	-99.4	0	0	0	111.2	I44 P49 K50 M55 S56 L57 P296 E297	I44-Y53 HydrophobicContact CG2-CD2 4.12Å; I44-Y53 HydrophobicContact CG2-CE2 3.82Å; P49-Y53 PolarHBondContact O-N 3.02Å; K50-Y53 WeakPolarHBondContact O-CB 3.27Å; K50-Y53 PolarHBondContact O-N 2.78Å; Y53-M55 VanDerWaalsContact C-N 3.3Å; Y53-M55 PolarHBondContact O-N 3.11Å; Y53-S56 WeakPolarHBondContact O-CB 3.35Å; Y53-S56 PolarHBondContact O-N 3.21Å; Y53-S56 PolarHBondContact O-OG 3.29Å; Y53-L57 HydrophobicContact CD1-CD1 4.34Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CG 4.47Å; Y53-L57 PolarHBondContact O-N 2.78Å; Y53-P296 HydrophobicContact CD1-CB 4.39Å; Y53-P296 HydrophobicContact CD1-CG 4.42Å; Y53-P296 HydrophobicContact CE1-CB 3.89Å; Y53-P296 HydrophobicContact CE1-CG 3.87Å; Y53-E297 HydrophobicContact CE1-CG 4.47Å; Y53-E297 VanDerWaalsContact CE1-OE2 3.32Å; Y53-E297 WeakPolarHBondContact CE1-OE2 3.23Å; Y53-E297 PolarHBondContact OH-OE1 3.45Å; Y53-E297 PolarHBondContact OH-OE2 2.84Å
54	Y	79.8	Confident	57.1	Low	4 Å²	4	78.9 Å²	78.9	2%	0.016	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-33.1	179.6	-77.8	-65.8	0	0	0	113.9	K50 K51 S56 L57 D213 Y217 P296 E297 D300	K50-Y54 HydrophobicContact CD-CE2 4.17Å; K50-Y54 HydrophobicContact CG-CD2 3.87Å; K50-Y54 HydrophobicContact CG-CE2 3.53Å; K50-Y54 WeakPolarHBondContact O-CD2 3.02Å; K50-Y54 PolarHBondContact O-N 3.03Å; K51-Y54 PolarHBondContact O-N 3.15Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; Y54-L57 HydrophobicContact CD1-CD1 3.93Å; Y54-L57 HydrophobicContact CE1-CD1 4.44Å; Y54-L57 PolarHBondContact O-N 3.38Å; Y54-D213 HydrophobicContact CD1-CB 3.55Å; Y54-D213 HydrophobicContact CE1-CB 3.66Å; Y54-Y217 HydrophobicContact CD2-CD1 4.04Å; Y54-Y217 HydrophobicContact CD2-CD2 4.22Å; Y54-Y217 AromaticContact CD2-CG 3.72Å; Y54-Y217 HydrophobicContact CD2-CG 3.72Å; Y54-Y217 HydrophobicContact CE2-CD1 4.38Å; Y54-Y217 AromaticContact CE2-CD2 3.74Å; Y54-Y217 HydrophobicContact CE2-CD2 3.74Å; Y54-Y217 AromaticContact CE2-CG 3.62Å; Y54-Y217 HydrophobicContact CE2-CG 3.62Å; Y54-P296 PolarHBondContact OH-O 3.41Å; Y54-E297 HydrophobicContact CE1-CG 3.88Å; Y54-D300 PolarHBondContact OH-OD2 2.98Å
55	M	74.2	Confident	56.5	Low	48 Å²	48	82 Å²	82	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-66.7	-36.2	173	-73.8	-175.8	172.4	0	0	111.9	K51 E52 Y53 L57 R58 L157 I214	K51-M55 HydrophobicContact CD-CE 4.35Å; K51-M55 HydrophobicContact CG-CE 4.14Å; K51-M55 HydrophobicContact CG-SD 4.43Å; K51-M55 WeakPolarHBondContact O-CG 3.5Å; K51-M55 PolarHBondContact O-N 3.25Å; E52-M55 PolarHBondContact O-N 3.3Å; Y53-M55 VanDerWaalsContact C-N 3.3Å; Y53-M55 PolarHBondContact O-N 3.11Å; M55-L57 VanDerWaalsContact C-N 3.28Å; M55-L57 PolarHBondContact O-N 3.49Å; M55-R58 WeakPolarHBondContact O-CB 3.3Å; M55-R58 PolarHBondContact O-N 3.41Å; M55-L157 WeakPolarHBondContact CE-O 3.25Å; M55-I214 HydrophobicContact CE-CD1 3.96Å; M55-I214 HydrophobicContact CG-CD1 3.8Å
56	S	70.4	Confident	55.7	Low	22 Å²	22	87.3 Å²	87.3	15%	0.154	46%	0.46	C	S	.	.	H	α-helix	trans	-67.5	-25.5	179.2	78.9	0	0	0	0	113.7	E52 Y53 Y54 R58	E52-S56 WeakPolarHBondContact O-CB 3.38Å; E52-S56 PolarHBondContact O-N 3.27Å; Y53-S56 WeakPolarHBondContact O-CB 3.35Å; Y53-S56 PolarHBondContact O-N 3.21Å; Y53-S56 PolarHBondContact O-OG 3.29Å; Y54-S56 VanDerWaalsContact C-N 3.33Å; S56-R58 PolarHBondContact O-N 2.77Å
57	L	69.7	Low	54.6	Low	41 Å²	41	88.8 Å²	88.8	22%	0.215	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.6	177.3	-61.3	174.8	0	0	0	113	I44 Y53 Y54 M55 R59 E297	I44-L57 HydrophobicContact CD1-CD2 3.92Å; I44-L57 HydrophobicContact CG2-CD2 4.36Å; Y53-L57 HydrophobicContact CD1-CD1 4.34Å; Y53-L57 HydrophobicContact CE1-CD1 3.84Å; Y53-L57 HydrophobicContact CE1-CG 4.47Å; Y53-L57 PolarHBondContact O-N 2.78Å; Y54-L57 HydrophobicContact CD1-CD1 3.93Å; Y54-L57 HydrophobicContact CE1-CD1 4.44Å; Y54-L57 PolarHBondContact O-N 3.38Å; M55-L57 VanDerWaalsContact C-N 3.28Å; M55-L57 PolarHBondContact O-N 3.49Å; L57-R59 PolarHBondContact O-N 2.99Å; L57-E297 HydrophobicContact CD1-CG 3.81Å; L57-E297 WeakPolarHBondContact CD1-OE1 3.38Å
58	R	67.3	Low	53.3	Low	68 Å²	68	84 Å²	84	26%	0.257	48%	0.479	S	S	.	.			trans	-72.8	108.5	176.1	-72	-176.9	165.9	157.6	0.6	110.5	M55 S56 G158 E212	M55-R58 WeakPolarHBondContact O-CB 3.3Å; M55-R58 PolarHBondContact O-N 3.41Å; S56-R58 PolarHBondContact O-N 2.77Å; R58-G158 PolarHBondContact NH1-O 3.07Å; R58-G158 PolarHBondContact NH2-O 3.14Å; R58-E212 IonicContact CZ-OE1 3.96Å; R58-E212 IonicContact CZ-OE2 3.92Å; R58-E212 IonicContact NE-OE1 2.7Å; R58-E212 PolarHBondContact NE-OE1 2.83Å; R58-E212 IonicContact NH2-OE1 3.28Å; R58-E212 PolarHBondContact NH2-OE1 3.42Å; R58-E212 IonicContact NH2-OE2 2.75Å; R58-E212 PolarHBondContact NH2-OE2 3.24Å
59	R	47.4	Very low	51.8	Low	155 Å²	155	87.3 Å²	87.3	59%	0.585	50%	0.501	S	S	*	.			trans	-81.5	118.6	166.7	-61.5	-150.8	-162.7	174.7	-1.9	110.5	L57 R423	L57-R59 PolarHBondContact O-N 2.99Å; R59-R423 VanDerWaalsContact NE-NH1 3.11Å
60	F	40.9	Very low	50	Low	182 Å²	182	89 Å²	89	80%	0.798	52%	0.521	S	S	*	.			trans	-72.5	128.8	160.5	-72.2	-81.9	0	0	0	109.1	S62	F60-S62 PolarHBondContact O-N 3.46Å
61	N	30.7	Very low	47.7	Very low	159 Å²	159	96.5 Å²	96.5	85%	0.85	56%	0.556	S	S	*	*			trans	-72.1	92.7	169.6	-109.3	8.1	0	0	0	108.3
62	S	28.7	Very low	45.5	Very low	106 Å²	106	101 Å²	101	74%	0.741	57%	0.571	S	S	*	*			trans	-111.8	89.8	171.4	51.9	0	0	0	0	110.7	F60	F60-S62 PolarHBondContact O-N 3.46Å
63	T	31.7	Very low	43.3	Very low	147 Å²	147	105.3 Å²	105.3	90%	0.902	60%	0.596	S	S	*	*			trans	-135.1	109.3	155.1	39	0	0	0	0	109.5
64	G	29.8	Very low	40.7	Very low	56 Å²	56	107.8 Å²	107.8	58%	0.577	63%	0.626	S	S	*	*			trans	138.9	104.7	168	0	0	0	0	0	114.3	N66	G64-N66 PolarHBondContact O-N 2.85Å
65	P	32.3	Very low	38.1	Very low	132 Å²	132	111 Å²	111	86%	0.857	65%	0.648	S	S	*	*	S	Bend	trans	-81.7	73.8	172.1	34.5	-29.1	0	0	0	108.6
66	N	29.7	Very low	36	Very low	172 Å²	172	114.8 Å²	114.8	92%	0.92	67%	0.669	S	S	*	*	S	Bend	trans	170.8	60.2	164.4	-94.8	-13.4	0	0	0	110.7	G64	G64-N66 PolarHBondContact O-N 2.85Å
67	S	27.9	Very low	34	Very low	106 Å²	106	119.4 Å²	119.4	74%	0.741	70%	0.701	S	S	*	*			trans	-149.5	122.3	158.6	73	0	0	0	0	110
68	G	27.4	Very low	32	Very low	65 Å²	65	123.3 Å²	123.3	67%	0.67	73%	0.731	S	S	*	*			trans	-58.8	154.1	-176.1	0	0	0	0	0	113.9	A70	G68-A70 PolarHBondContact O-N 3.48Å
69	T	29.3	Very low	30.2	Very low	113 Å²	113	123.7 Å²	123.7	69%	0.693	76%	0.757	S	S	*	*			trans	20.2	101.8	155.1	47.4	0	0	0	0	114.7	H71	T69-H71 PolarHBondContact O-N 3.06Å
70	A	28.4	Very low	29.2	Very low	109 Å²	109	122.6 Å²	122.6	90%	0.901	77%	0.773	S	S	*	*			trans	-54.1	94.1	161.5	0	0	0	0	0	108.5	G68 R72	G68-A70 PolarHBondContact O-N 3.48Å; A70-R72 PolarHBondContact O-N 3.38Å
71	H	26.2	Very low	28.7	Very low	167 Å²	167	118.8 Å²	118.8	77%	0.773	78%	0.775	S	S	*	*			trans	-59.1	121.1	174.9	-95.4	-83.2	0	0	0	108.1	T69 L73	T69-H71 PolarHBondContact O-N 3.06Å; H71-L73 PolarHBondContact O-N 3.02Å
72	R	29.8	Very low	28.5	Very low	157 Å²	157	115.9 Å²	115.9	59%	0.592	77%	0.773	S	S	*	*			trans	-46.3	115.1	156	-78.6	-175.3	178.3	-163.9	0.8	108.1	A70 G74 S75	A70-R72 PolarHBondContact O-N 3.38Å; R72-G74 PolarHBondContact O-N 3.16Å; R72-S75 PolarHBondContact NH1-OG 3.19Å
73	L	26.8	Very low	28.5	Very low	190 Å²	190	117.6 Å²	117.6	100%	0.995	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	81.2	152.9	-83.7	161.6	0	0	0	106.5	H71	H71-L73 PolarHBondContact O-N 3.02Å
74	G	25.9	Very low	28.3	Very low	65 Å²	65	118.4 Å²	118.4	67%	0.67	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.8	58	-176.7	0	0	0	0	0	114.1	R72	R72-G74 PolarHBondContact O-N 3.16Å
75	S	26.3	Very low	28.4	Very low	70 Å²	70	120.7 Å²	120.7	49%	0.49	79%	0.79	S	S	.	*			trans	-156.1	124.1	145.9	-164.1	0	0	0	0	111.1	R72 S77	R72-S75 PolarHBondContact NH1-OG 3.19Å; S75-S77 PolarHBondContact O-N 3.46Å
76	I	29.2	Very low	28.3	Very low	129 Å²	129	122.7 Å²	122.7	66%	0.662	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-58.2	117.1	165.4	22.7	172.5	0	0	0	109.2
77	S	28.9	Very low	28.4	Very low	119 Å²	119	117.9 Å²	117.9	83%	0.832	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.8	125	168.2	58	0	0	0	0	110.1	S75	S75-S77 PolarHBondContact O-N 3.46Å
78	S	27.7	Very low	28.5	Very low	122 Å²	122	118.1 Å²	118.1	85%	0.853	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-84.7	135.3	156.2	45.1	0	0	0	0	109.2
79	G	28.7	Very low	28.7	Very low	77 Å²	77	121.2 Å²	121.2	79%	0.794	80%	0.798	S	S	*	*			trans	149.6	68.4	167.1	0	0	0	0	0	115.1
80	S	26.4	Very low	28.8	Very low	132 Å²	132	119.1 Å²	119.1	92%	0.923	80%	0.798	S	S	*	*			trans	-79.1	121.6	158	-63.1	0	0	0	0	109.2
81	A	30.8	Very low	28.8	Very low	101 Å²	101	121.5 Å²	121.5	84%	0.835	80%	0.795	S	S	*	*			trans	-129.2	130.2	154.5	0	0	0	0	0	108.1
82	A	25.9	Very low	29	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	80%	0.8	S	S	*	*			trans	-66.8	151.2	-163.1	0	0	0	0	0	115.2
83	V	30.3	Very low	28.9	Very low	143 Å²	143	117.9 Å²	117.9	87%	0.867	81%	0.811	S	S	*	*				-156.8	142.7	126.3	172.9	0	0	0	0	109.3
84	L	25.9	Very low	29	Very low	163 Å²	163	112.7 Å²	112.7	85%	0.853	80%	0.804	S	S	*	*			trans	-59.5	147.8	-176.2	-61.1	132.8	0	0	0	116
85	A	33.4	Very low	29.1	Very low	104 Å²	104	117.1 Å²	117.1	86%	0.86	81%	0.812	S	S	*	*				172.7	142.7	116.9	0	0	0	0	0	113.9
86	N	28.5	Very low	29.1	Very low	174 Å²	174	118.9 Å²	118.9	93%	0.93	83%	0.825	S	S	*	*			trans	-44.3	154.8	-178.8	-70.7	-28.5	0	0	0	119.7
87	G	32.1	Very low	29.3	Very low	71 Å²	71	118.1 Å²	118.1	73%	0.732	83%	0.831	S	S	*	*			trans	169.8	68.2	158.4	0	0	0	0	0	118.2
88	S	31.6	Very low	29.3	Very low	111 Å²	111	118.3 Å²	118.3	78%	0.776	83%	0.832	S	S	*	*			trans	24	124.9	142.1	52.2	0	0	0	0	124.4
89	S	29.5	Very low	29.6	Very low	130 Å²	130	118.2 Å²	118.2	91%	0.909	83%	0.829	S	S	*	*				90.7	127.4	121.2	-59.6	0	0	0	0	124.5
90	G	31.7	Very low	29.6	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	83%	0.834	S	S	*	*			trans	116.3	98	142	0	0	0	0	0	116.6
91	L	28.9	Very low	29.7	Very low	159 Å²	159	125.6 Å²	125.6	83%	0.832	83%	0.828	S	S	*	*				80.7	124.5	75.6	-86.3	167.6	0	0	0	117.8
92	L	30.8	Very low	29.5	Very low	168 Å²	168	124.5 Å²	124.5	88%	0.88	83%	0.827	S	S	*	*			trans	74.4	140.2	154	-55.2	162	0	0	0	117.5
93	G	26.8	Very low	29.5	Very low	80 Å²	80	123.5 Å²	123.5	83%	0.825	83%	0.826	S	S	*	*			cis	154.6	150.7	6.2	0	0	0	0	0	108.2
94	G	29.4	Very low	29.3	Very low	82 Å²	82	120.3 Å²	120.3	85%	0.845	82%	0.822	S	S	*	*			trans	142.5	133.9	162	0	0	0	0	0	118.8
95	N	27.8	Very low	29.5	Very low	157 Å²	157	118.5 Å²	118.5	84%	0.84	82%	0.818	S	S	*	*			trans	-82.7	157.4	-165	-79.7	-19.8	0	0	0	118.3
96	S	27.6	Very low	29.5	Very low	107 Å²	107	120.2 Å²	120.2	75%	0.748	81%	0.811	S	S	*	*			trans	55.4	120.7	136.9	67.9	0	0	0	0	122.4
97	S	33.2	Very low	29.5	Very low	114 Å²	114	123 Å²	123	80%	0.797	81%	0.809	S	S	*	*				159.6	113.4	108.4	62.6	0	0	0	0	113.7
98	S	29.2	Very low	29.5	Very low	122 Å²	122	122.9 Å²	122.9	85%	0.853	81%	0.808	S	S	*	*			trans	42	156.9	139.9	-82.8	0	0	0	0	124.6
99	P	33.9	Very low	29.6	Very low	120 Å²	120	122.2 Å²	122.2	78%	0.779	80%	0.803	S	S	*	*				-118.7	163.2	-121.8	42	-34.5	0	0	0	116.2
100	R	27	Very low	29.7	Very low	243 Å²	243	120.1 Å²	120.1	92%	0.917	79%	0.788	S	S	*	*			trans	-159.5	161.8	157.4	-110.4	-171	170.5	-162.7	-2.2	111.7
101	P	28.9	Very low	30.2	Very low	122 Å²	122	121 Å²	121	79%	0.792	77%	0.773	S	S	*	*	P	Polyproline II helix		-90.1	123.2	-127.1	35.3	-28.2	0	0	0	113.1
102	G	27.8	Very low	30.7	Very low	78 Å²	78	118.1 Å²	118.1	80%	0.804	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-83	123.6	175.8	0	0	0	0	0	111.8	G104	G102-G104 PolarHBondContact O-N 2.91Å
103	G	26	Very low	31.7	Very low	77 Å²	77	112.4 Å²	112.4	79%	0.794	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-60.7	116.5	165.1	0	0	0	0	0	110.3	T105	G103-T105 PolarHBondContact O-N 3.45Å
104	G	26.3	Very low	33	Very low	75 Å²	75	110.5 Å²	110.5	77%	0.773	71%	0.709	S	S	*	*			trans	-81.3	90.6	173.8	0	0	0	0	0	110.5	G102 L106	G102-G104 PolarHBondContact O-N 2.91Å; G104-L106 PolarHBondContact O-N 2.85Å
105	T	28.5	Very low	34.3	Very low	126 Å²	126	110.5 Å²	110.5	77%	0.773	69%	0.693	S	S	*	*			trans	-69.3	118.4	149.4	44.6	0	0	0	0	107.2	G103 R107	G103-T105 PolarHBondContact O-N 3.45Å; T105-R107 PolarHBondContact O-N 3.1Å
106	L	33.5	Very low	35.7	Very low	139 Å²	139	108.7 Å²	108.7	73%	0.728	68%	0.683	S	S	*	*			trans	-61.4	85	169.7	-75.9	161.2	0	0	0	109.3	G104	G104-L106 PolarHBondContact O-N 2.85Å
107	R	28.5	Very low	37.6	Very low	234 Å²	234	106.7 Å²	106.7	88%	0.883	66%	0.661	S	S	*	*			trans	-67.6	129.1	144.8	-85.6	-171.6	173.9	-143.6	-0.6	105.9	T105 S109	T105-R107 PolarHBondContact O-N 3.1Å; R107-S109 PolarHBondContact O-N 3.34Å
108	G	32.4	Very low	39.7	Very low	68 Å²	68	109.1 Å²	109.1	70%	0.701	66%	0.657	S	S	*	*			trans	-44.9	128.7	179.9	0	0	0	0	0	111.2	S110	G108-S110 PolarHBondContact O-N 3.03Å
109	S	33.7	Very low	42.1	Very low	96 Å²	96	107.6 Å²	107.6	67%	0.671	64%	0.644	S	S	*	*			trans	-67.4	81.5	170.1	175.4	0	0	0	0	108.4	R107 H111	R107-S109 PolarHBondContact O-N 3.34Å; S109-H111 VanDerWaalsContact C-N 3.32Å; S109-H111 PolarHBondContact O-N 3.28Å
110	S	32.9	Very low	44.5	Very low	87 Å²	87	104.6 Å²	104.6	61%	0.608	63%	0.626	S	S	*	*			trans	-68.2	97.6	158.2	53.8	0	0	0	0	106.8	G108	G108-S110 PolarHBondContact O-N 3.03Å
111	H	41.7	Very low	47	Very low	86 Å²	86	96.3 Å²	96.3	40%	0.398	62%	0.617	S	S	.	*			trans	-54.2	131.3	165.6	-92	-85	0	0	0	108.1	S109 S113 I114	S109-H111 VanDerWaalsContact C-N 3.32Å; S109-H111 PolarHBondContact O-N 3.28Å; H111-S113 PolarHBondContact O-N 3.07Å; H111-I114 HydrophobicContact CB-CD1 4.39Å; H111-I114 HydrophobicContact CB-CG1 4.43Å; H111-I114 PolarHBondContact O-N 3.47Å
112	P	39.2	Very low	49.8	Very low	99 Å²	99	97.2 Å²	97.2	64%	0.643	61%	0.608	S	S	*	*	H	α-helix	trans	-55.7	-24.1	-178.5	17.5	-28.6	0	0	0	112.8	I114 V115	P112-I114 VanDerWaalsContact C-N 3.34Å; P112-I114 PolarHBondContact O-N 3.31Å; P112-V115 PolarHBondContact O-N 2.89Å
113	S	50.8	Low	52.8	Low	49 Å²	49	98.3 Å²	98.3	34%	0.343	59%	0.594	S	S	.	*	H	α-helix	trans	-70.4	-17.5	176.6	58.2	0	0	0	0	116	H111 Y145	H111-S113 PolarHBondContact O-N 3.07Å; S113-Y145 PolarHBondContact O-OH 2.68Å
114	I	54.3	Low	55.9	Low	39 Å²	39	96.2 Å²	96.2	20%	0.2	57%	0.566	C	S	.	*	H	α-helix	trans	-83	-30.7	176.3	-62.4	174	0	0	0	110.3	H111 P112 D116 Y145	H111-I114 HydrophobicContact CB-CD1 4.39Å; H111-I114 HydrophobicContact CB-CG1 4.43Å; H111-I114 PolarHBondContact O-N 3.47Å; P112-I114 VanDerWaalsContact C-N 3.34Å; P112-I114 PolarHBondContact O-N 3.31Å; I114-D116 VanDerWaalsContact C-N 3.31Å; I114-Y145 HydrophobicContact CG1-CD1 4.43Å
115	V	56.6	Low	59	Low	82 Å²	82	97.4 Å²	97.4	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-74.2	-25.8	-179.5	-159.5	0	0	0	0	111.3	P112 F117	P112-V115 PolarHBondContact O-N 2.89Å; V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 3.38Å
116	D	58.2	Low	62.1	Low	120 Å²	120	91.4 Å²	91.4	64%	0.642	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	40.8	172.9	-72.3	-30.4	0	0	0	113.2	I114 K118	I114-D116 VanDerWaalsContact C-N 3.31Å; D116-K118 PolarHBondContact O-N 3.48Å
117	F	68.3	Low	65	Low	64 Å²	64	86.8 Å²	86.8	28%	0.281	50%	0.495	S	S	.	.			trans	-67.6	104	172.9	174.4	-103.8	0	0	0	110.2	V115 P119 D141 A143 Y145 Q148	V115-F117 VanDerWaalsContact C-N 3.28Å; V115-F117 PolarHBondContact O-N 3.38Å; F117-P119 HydrophobicContact CE1-CB 3.95Å; F117-P119 HydrophobicContact CE1-CG 4.45Å; F117-P119 HydrophobicContact CZ-CB 4.1Å; F117-D141 HydrophobicContact CE2-CB 4.41Å; F117-D141 HydrophobicContact CZ-CB 3.76Å; F117-A143 HydrophobicContact CE2-CB 4.41Å; F117-Y145 HydrophobicContact CD2-CD2 4.3Å; F117-Q148 VanDerWaalsContact CD2-NE2 3.32Å
118	K	77	Confident	68.2	Low	166 Å²	166	75.6 Å²	75.6	72%	0.722	45%	0.453	S	S	*	.			trans	-94.9	111.8	167.9	-70.6	-173.9	-178.6	-179.2	0	109.2	D116	D116-K118 PolarHBondContact O-N 3.48Å
119	P	78.7	Confident	71	Confident	89 Å²	89	74.2 Å²	74.2	58%	0.578	43%	0.431	S	S	*	.			trans	-61.7	140.9	176.9	24.7	-31.8	0	0	0	110.1	F117 G121 D141	F117-P119 HydrophobicContact CE1-CB 3.95Å; F117-P119 HydrophobicContact CE1-CG 4.45Å; F117-P119 HydrophobicContact CZ-CB 4.1Å; P119-G121 VanDerWaalsContact C-N 3.31Å; P119-D141 WeakPolarHBondContact CB-OD2 3.45Å
120	S	83.7	Confident	73.8	Confident	58 Å²	58	69.9 Å²	69.9	41%	0.406	40%	0.4	S	S	.	.			trans	-80.1	-15.2	175.8	65.4	0	0	0	0	112.9	K122 D141 K142	S120-K122 PolarHBondContact O-N 3.03Å; S120-K122 PolarHBondContact OG-N 3.26Å; S120-K122 PolarHBondContact OG-O 2.98Å; S120-D141 WeakPolarHBondContact CB-OD1 3.4Å; S120-D141 VanDerWaalsContact N-CG 3.26Å; S120-D141 PolarHBondContact N-OD1 3.4Å; S120-D141 PolarHBondContact N-OD2 3.09Å; S120-D141 VanDerWaalsContact OG-CG 3.29Å; S120-D141 PolarHBondContact OG-OD1 2.88Å; S120-D141 PolarHBondContact OG-OD2 2.97Å; S120-K142 WeakPolarHBondContact OG-CB 3.44Å
121	G	80.9	Confident	76.6	Confident	69 Å²	69	65.9 Å²	65.9	71%	0.711	37%	0.372	S	S	*	.	S	Bend	trans	74.3	4.1	-173.9	0	0	0	0	0	113.3	P119 D141	P119-G121 VanDerWaalsContact C-N 3.31Å; G121-D141 PolarHBondContact N-OD2 3.45Å
122	K	87.9	Confident	78.7	Confident	140 Å²	140	64.3 Å²	64.3	61%	0.609	37%	0.366	S	S	*	.			trans	-110.8	116.8	175.3	-66.4	-175	-179.9	-176.6	0	108.5	S120 D141 K142	S120-K122 PolarHBondContact O-N 3.03Å; S120-K122 PolarHBondContact OG-N 3.26Å; S120-K122 PolarHBondContact OG-O 2.98Å; K122-D141 CarbonylContact O-C 3.56Å; K122-K142 HydrophobicContact CB-CB 4.21Å; K122-K142 HydrophobicContact CB-CD 4.49Å; K122-K142 WeakPolarHBondContact O-CB 3.47Å; K122-K142 PolarHBondContact O-N 3.32Å
123	I	90.4	Very high	80.8	Confident	102 Å²	102	60.1 Å²	60.1	52%	0.523	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	139.4	175.6	-61.2	175.8	0	0	0	108.8	R139 L140	I123-R139 HydrophobicContact CG2-CB 3.79Å; I123-L140 CarbonylContact C-O 3.59Å; I123-L140 WeakPolarHBondContact CA-O 3.49Å
124	V	91.6	Very high	82.6	Confident	33 Å²	33	59.6 Å²	59.6	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.8	172.9	-177.4	0	0	0	0	107.1	L140 K142 W194	V124-L140 PolarHBondContact N-O 3.23Å; V124-L140 PolarHBondContact O-N 3.47Å; V124-K142 HydrophobicContact CG2-CB 3.81Å; V124-K142 HydrophobicContact CG2-CD 4.25Å; V124-K142 HydrophobicContact CG2-CG 3.95Å; V124-W194 HydrophobicContact CB-CD2 4.36Å; V124-W194 HydrophobicContact CB-CZ2 4.49Å; V124-W194 HydrophobicContact CG1-CB 4.44Å; V124-W194 HydrophobicContact CG1-CD2 3.77Å; V124-W194 HydrophobicContact CG1-CE3 4.29Å; V124-W194 HydrophobicContact CG1-CG 3.83Å; V124-W194 HydrophobicContact CG2-CZ2 4.45Å
125	D	91.3	Very high	84.3	Confident	99 Å²	99	62 Å²	62	53%	0.529	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.1	172.6	-55.6	-35.4	0	0	0	108.3	R139	D125-R139 WeakPolarHBondContact OD1-CG 3.29Å; D125-R139 IonicContact OD1-CZ 3.11Å; D125-R139 IonicContact OD1-NE 3.03Å; D125-R139 PolarHBondContact OD1-NE 3.2Å
126	C	92.6	Very high	85.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	179.6	61.2	0	0	0	0	111.2	E137 F138 W194 F196	C126-E137 CarbonylContact O-C 3.54Å; C126-E137 WeakPolarHBondContact O-CA 3.48Å; C126-F138 PolarHBondContact N-O 2.92Å; C126-F138 PolarHBondContact O-N 3.47Å; C126-F138 PolarHBondContact SG-O 3.2Å; C126-W194 CarbonylContact C-O 3.57Å; C126-W194 VanDerWaalsContact CA-O 3.27Å; C126-W194 WeakPolarHBondContact CA-O 3.38Å; C126-W194 HydrophobicContact CB-CB 3.54Å; C126-W194 HydrophobicContact CB-CD2 4.47Å; C126-W194 HydrophobicContact CB-CE3 3.93Å; C126-W194 HydrophobicContact CB-CG 4.4Å; C126-W194 WeakPolarHBondContact CB-O 3.33Å; C126-F196 HydrophobicContact CB-CD2 4.25Å; C126-F196 HydrophobicContact CB-CE2 3.94Å
127	T	94.3	Very high	87.6	Confident	41 Å²	41	65.4 Å²	65.4	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.1	179.9	52.5	0	0	0	0	110.1	T135 R136 E137 W194 F196	T127-T135 HydrophobicContact CG2-CG2 4.31Å; T127-R136 CarbonylContact C-O 3.59Å; T127-R136 WeakPolarHBondContact CA-O 3.33Å; T127-E137 HydrophobicContact CG2-CG 3.93Å; T127-W194 PolarHBondContact N-O 2.81Å; T127-F196 PolarHBondContact O-N 3.41Å
128	V	95.3	Very high	88.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	122.1	176.7	-174.1	0	0	0	0	108.6	M130 T135 R136 F138 L149 V153 F196 F198	V128-M130 HydrophobicContact CB-SD 4.26Å; V128-M130 HydrophobicContact CG1-SD 3.9Å; V128-T135 WeakPolarHBondContact O-CA 3.37Å; V128-R136 PolarHBondContact N-O 3.05Å; V128-R136 PolarHBondContact O-N 2.87Å; V128-F138 HydrophobicContact CB-CD2 4.21Å; V128-F138 HydrophobicContact CB-CE2 3.96Å; V128-F138 HydrophobicContact CG2-CD2 3.65Å; V128-F138 HydrophobicContact CG2-CE2 3.83Å; V128-L149 HydrophobicContact CG2-CD1 3.96Å; V128-V153 HydrophobicContact CB-CG2 4.5Å; V128-V153 HydrophobicContact CG1-CG2 4.22Å; V128-V153 HydrophobicContact CG2-CG2 4.01Å; V128-F196 CarbonylContact C-O 3.6Å; V128-F196 VanDerWaalsContact CA-O 3.32Å; V128-F196 WeakPolarHBondContact CA-O 3.46Å; V128-F196 HydrophobicContact CG2-CB 4.22Å; V128-F198 HydrophobicContact CG1-CB 3.99Å
129	V	91.8	Very high	89.6	Confident	38 Å²	38	64.1 Å²	64.1	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.9	167.8	-168.6	0	0	0	0	108.5	F196 E197 F198 M459	V129-F196 PolarHBondContact N-O 3.06Å; V129-E197 HydrophobicContact CB-CG 4.2Å; V129-E197 HydrophobicContact CG2-CG 4.42Å; V129-E197 WeakPolarHBondContact O-CA 3.02Å; V129-F198 PolarHBondContact O-N 2.83Å; V129-M459 HydrophobicContact CB-SD 4.19Å; V129-M459 HydrophobicContact CG1-CG 4.09Å; V129-M459 HydrophobicContact CG1-SD 3.39Å; V129-M459 WeakPolarHBondContact CG1-SD 3.33Å
130	M	92.8	Very high	90.2	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.03	32%	0.321	C	S	.	.			trans	-90.1	167.6	-176.7	-51.4	-59.5	-68.1	0	0	110.9	V128 D132 G133 T134 R136 V153 L157	V128-M130 HydrophobicContact CB-SD 4.26Å; V128-M130 HydrophobicContact CG1-SD 3.9Å; M130-D132 WeakPolarHBondContact CB-OD1 3.46Å; M130-D132 PolarHBondContact O-N 2.84Å; M130-G133 WeakPolarHBondContact O-CA 3.4Å; M130-G133 PolarHBondContact O-N 2.9Å; M130-T134 WeakPolarHBondContact CB-O 3.42Å; M130-T134 WeakPolarHBondContact CG-O 3.37Å; M130-T134 PolarHBondContact N-O 3.03Å; M130-R136 HydrophobicContact CG-CB 4.23Å; M130-R136 HydrophobicContact CG-CG 3.64Å; M130-R136 HydrophobicContact SD-CB 4.22Å; M130-R136 HydrophobicContact SD-CG 4.12Å; M130-V153 HydrophobicContact CE-CG1 3.89Å; M130-V153 HydrophobicContact SD-CG1 4.31Å; M130-L157 HydrophobicContact CE-CD1 3.62Å; M130-L157 HydrophobicContact CE-CD2 3.32Å; M130-L157 HydrophobicContact CE-CG 3.54Å
131	L	90.8	Very high	90.7	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.016	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.9	-176.5	-69.6	171.5	0	0	0	115.2	F165 F198 Y218 L221 Q222	L131-F165 HydrophobicContact CD1-CD1 4.35Å; L131-F165 HydrophobicContact CD1-CE1 4.04Å; L131-F198 HydrophobicContact CD1-CD1 3.88Å; L131-F198 HydrophobicContact CD1-CE1 3.84Å; L131-F198 VanDerWaalsContact CD2-O 3.25Å; L131-F198 WeakPolarHBondContact CD2-O 3.37Å; L131-F198 HydrophobicContact CG-CD1 3.91Å; L131-F198 HydrophobicContact CG-CE1 4.39Å; L131-Y218 HydrophobicContact CD1-CD1 4.23Å; L131-Y218 HydrophobicContact CD1-CG 4.44Å; L131-Y218 WeakPolarHBondContact CD1-O 3.33Å; L131-L221 HydrophobicContact CB-CB 3.89Å; L131-L221 HydrophobicContact CB-CD1 4.18Å; L131-Q222 HydrophobicContact CD2-CB 3.9Å; L131-Q222 HydrophobicContact CD2-CG 4.44Å
132	D	85.7	Confident	91.1	Very high	52 Å²	52	61 Å²	61	28%	0.278	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.2	171.4	63.3	0.2	0	0	0	112.8	M130 T134 L221 R457	M130-D132 WeakPolarHBondContact CB-OD1 3.46Å; M130-D132 PolarHBondContact O-N 2.84Å; D132-T134 VanDerWaalsContact C-N 3.35Å; D132-T134 VanDerWaalsContact OD1-CB 3.31Å; D132-T134 WeakPolarHBondContact OD1-CB 3.22Å; D132-T134 WeakPolarHBondContact OD1-CG2 3.28Å; D132-T134 PolarHBondContact OD1-N 3.38Å; D132-T134 PolarHBondContact OD1-OG1 3.36Å; D132-T134 PolarHBondContact OD2-OG1 2.92Å; D132-L221 HydrophobicContact CB-CD1 4.3Å; D132-R457 PolarHBondContact O-N 2.82Å
133	G	83.6	Confident	91.3	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	27%	0.271	C	S	.	.	S	Bend	trans	79.6	10.3	-176	0	0	0	0	0	114.3	M130	M130-G133 WeakPolarHBondContact O-CA 3.4Å; M130-G133 PolarHBondContact O-N 2.9Å
134	T	88.4	Confident	91.4	Very high	38 Å²	38	50 Å²	50	23%	0.233	25%	0.247	C	C	.	.			trans	-82.5	144.8	172	66.4	0	0	0	0	111.4	M130 D132	M130-T134 WeakPolarHBondContact CB-O 3.42Å; M130-T134 WeakPolarHBondContact CG-O 3.37Å; M130-T134 PolarHBondContact N-O 3.03Å; D132-T134 VanDerWaalsContact C-N 3.35Å; D132-T134 VanDerWaalsContact OD1-CB 3.31Å; D132-T134 WeakPolarHBondContact OD1-CB 3.22Å; D132-T134 WeakPolarHBondContact OD1-CG2 3.28Å; D132-T134 PolarHBondContact OD1-N 3.38Å; D132-T134 PolarHBondContact OD1-OG1 3.36Å; D132-T134 PolarHBondContact OD2-OG1 2.92Å
135	T	89.5	Confident	91.5	Very high	88 Å²	88	49.5 Å²	49.5	54%	0.54	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.2	173.7	-52.5	0	0	0	0	110	T127 V128	T127-T135 HydrophobicContact CG2-CG2 4.31Å; V128-T135 WeakPolarHBondContact O-CA 3.37Å
136	R	91.5	Very high	91.6	Very high	118 Å²	118	44.8 Å²	44.8	45%	0.445	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.4	176	-65.5	-64.1	-179	173.5	0.7	110.8	T127 V128 M130 F138	T127-R136 CarbonylContact C-O 3.59Å; T127-R136 WeakPolarHBondContact CA-O 3.33Å; V128-R136 PolarHBondContact N-O 3.05Å; V128-R136 PolarHBondContact O-N 2.87Å; M130-R136 HydrophobicContact CG-CB 4.23Å; M130-R136 HydrophobicContact CG-CG 3.64Å; M130-R136 HydrophobicContact SD-CB 4.22Å; M130-R136 HydrophobicContact SD-CG 4.12Å; R136-F138 HydrophobicContact CB-CD2 4.48Å; R136-F138 HydrophobicContact CB-CE2 3.73Å; R136-F138 HydrophobicContact CB-CZ 4.28Å
137	E	94.3	Very high	91.7	Very high	157 Å²	157	47.1 Å²	47.1	73%	0.734	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.1	176.2	-72.7	177.1	-175.8	0	0	110.4	C126 T127	C126-E137 CarbonylContact O-C 3.54Å; C126-E137 WeakPolarHBondContact O-CA 3.48Å; T127-E137 HydrophobicContact CG2-CG 3.93Å
138	F	93.5	Very high	91.7	Very high	25 Å²	25	47.6 Å²	47.6	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.9	174.8	-63.7	-94.1	0	0	0	109.1	C126 V128 R136 L149 A152 V153 H156	C126-F138 PolarHBondContact N-O 2.92Å; C126-F138 PolarHBondContact O-N 3.47Å; C126-F138 PolarHBondContact SG-O 3.2Å; V128-F138 HydrophobicContact CB-CD2 4.21Å; V128-F138 HydrophobicContact CB-CE2 3.96Å; V128-F138 HydrophobicContact CG2-CD2 3.65Å; V128-F138 HydrophobicContact CG2-CE2 3.83Å; R136-F138 HydrophobicContact CB-CD2 4.48Å; R136-F138 HydrophobicContact CB-CE2 3.73Å; R136-F138 HydrophobicContact CB-CZ 4.28Å; F138-L149 HydrophobicContact CB-CD1 4.37Å; F138-A152 HydrophobicContact CD1-CB 3.97Å; F138-A152 HydrophobicContact CE1-CB 4.29Å; F138-V153 HydrophobicContact CD2-CG2 4.32Å; F138-V153 HydrophobicContact CE1-CG2 4.25Å; F138-V153 HydrophobicContact CE2-CG2 3.78Å; F138-V153 HydrophobicContact CZ-CB 4.31Å; F138-V153 HydrophobicContact CZ-CG2 3.74Å; F138-H156 HydrophobicContact CE1-CB 4.04Å; F138-H156 HydrophobicContact CZ-CB 4.16Å
139	R	92.9	Very high	91.7	Very high	177 Å²	177	47.6 Å²	47.6	67%	0.668	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.5	179	-56.8	-169.7	75.4	-165.7	0.8	109	I123 D125	I123-R139 HydrophobicContact CG2-CB 3.79Å; D125-R139 WeakPolarHBondContact OD1-CG 3.29Å; D125-R139 IonicContact OD1-CZ 3.11Å; D125-R139 IonicContact OD1-NE 3.03Å; D125-R139 PolarHBondContact OD1-NE 3.2Å
140	L	92.3	Very high	91.8	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152	-176.1	-67.3	177.7	0	0	0	111.4	I123 V124 A144 L149 I185 W194	I123-L140 CarbonylContact C-O 3.59Å; I123-L140 WeakPolarHBondContact CA-O 3.49Å; V124-L140 PolarHBondContact N-O 3.23Å; V124-L140 PolarHBondContact O-N 3.47Å; L140-A144 HydrophobicContact CB-CB 4.18Å; L140-L149 HydrophobicContact CD1-CB 3.6Å; L140-L149 HydrophobicContact CD1-CD1 3.57Å; L140-L149 HydrophobicContact CD1-CG 4.06Å; L140-I185 HydrophobicContact CD1-CD1 4.01Å; L140-W194 HydrophobicContact CB-CZ3 4.14Å; L140-W194 HydrophobicContact CD1-CZ3 4.26Å
141	D	92.5	Very high	91.8	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.134	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	141.7	169.4	-171.8	-80.8	0	0	0	110.4	F117 P119 S120 G121 K122 A143 A144	F117-D141 HydrophobicContact CE2-CB 4.41Å; F117-D141 HydrophobicContact CZ-CB 3.76Å; P119-D141 WeakPolarHBondContact CB-OD2 3.45Å; S120-D141 WeakPolarHBondContact CB-OD1 3.4Å; S120-D141 VanDerWaalsContact N-CG 3.26Å; S120-D141 PolarHBondContact N-OD1 3.4Å; S120-D141 PolarHBondContact N-OD2 3.09Å; S120-D141 VanDerWaalsContact OG-CG 3.29Å; S120-D141 PolarHBondContact OG-OD1 2.88Å; S120-D141 PolarHBondContact OG-OD2 2.97Å; G121-D141 PolarHBondContact N-OD2 3.45Å; K122-D141 CarbonylContact O-C 3.56Å; D141-A143 PolarHBondContact O-N 3.3Å; D141-A143 VanDerWaalsContact O-N 3.07Å; D141-A143 WeakPolarHBondContact OD1-CA 3.43Å; D141-A143 VanDerWaalsContact OD1-CB 3.27Å; D141-A143 WeakPolarHBondContact OD1-CB 3.27Å; D141-A143 PolarHBondContact OD1-N 3.25Å; D141-A144 WeakPolarHBondContact O-CA 3.41Å; D141-A144 WeakPolarHBondContact O-CB 3.34Å; D141-A144 PolarHBondContact O-N 3.43Å
142	K	90.2	Very high	92	Very high	106 Å²	106	50.9 Å²	50.9	46%	0.461	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.4	179.9	-170.6	167.7	-176.5	165	0	113.6	S120 K122 V124 A144	S120-K142 WeakPolarHBondContact OG-CB 3.44Å; K122-K142 HydrophobicContact CB-CB 4.21Å; K122-K142 HydrophobicContact CB-CD 4.49Å; K122-K142 WeakPolarHBondContact O-CB 3.47Å; K122-K142 PolarHBondContact O-N 3.32Å; V124-K142 HydrophobicContact CG2-CB 3.81Å; V124-K142 HydrophobicContact CG2-CD 4.25Å; V124-K142 HydrophobicContact CG2-CG 3.95Å; K142-A144 VanDerWaalsContact C-N 3.34Å
143	A	91.4	Very high	92.4	Very high	10 Å²	10	48.4 Å²	48.4	8%	0.083	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.6	174.4	0	0	0	0	0	113.7	F117 D141	F117-A143 HydrophobicContact CE2-CB 4.41Å; D141-A143 PolarHBondContact O-N 3.3Å; D141-A143 VanDerWaalsContact O-N 3.07Å; D141-A143 WeakPolarHBondContact OD1-CA 3.43Å; D141-A143 VanDerWaalsContact OD1-CB 3.27Å; D141-A143 WeakPolarHBondContact OD1-CB 3.27Å; D141-A143 PolarHBondContact OD1-N 3.25Å
144	A	92.6	Very high	92.9	Very high	1 Å²	1	48 Å²	48	1%	0.008	23%	0.23	C	C	.	.			trans	-58.2	143	-178.7	0	0	0	0	0	112.7	L140 D141 K142 Q148 R184 I185	L140-A144 HydrophobicContact CB-CB 4.18Å; D141-A144 WeakPolarHBondContact O-CA 3.41Å; D141-A144 WeakPolarHBondContact O-CB 3.34Å; D141-A144 PolarHBondContact O-N 3.43Å; K142-A144 VanDerWaalsContact C-N 3.34Å; A144-Q148 VanDerWaalsContact CA-OE1 3.31Å; A144-Q148 HydrophobicContact CB-CB 4.42Å; A144-R184 CarbonylContact O-C 2.89Å; A144-R184 WeakPolarHBondContact O-CA 3.4Å; A144-I185 HydrophobicContact CB-CD1 4.29Å; A144-I185 PolarHBondContact O-N 3.31Å
145	Y	94.2	Very high	93	Very high	23 Å²	23	50.6 Å²	50.6	9%	0.09	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-86.8	156.9	170.8	-72.3	-105.6	0	0	0	110.1	S113 I114 F117 Q147 Q148 D182 Q183 R184	S113-Y145 PolarHBondContact O-OH 2.68Å; I114-Y145 HydrophobicContact CG1-CD1 4.43Å; F117-Y145 HydrophobicContact CD2-CD2 4.3Å; Y145-Q147 PolarHBondContact O-N 2.76Å; Y145-Q147 VanDerWaalsContact O-N 3.14Å; Y145-Q148 PolarHBondContact O-N 2.69Å; Y145-D182 VanDerWaalsContact CD1-O 3.3Å; Y145-D182 WeakPolarHBondContact CD1-O 3.39Å; Y145-D182 WeakPolarHBondContact CE1-O 3.42Å; Y145-Q183 WeakPolarHBondContact CA-O 3.06Å; Y145-Q183 VanDerWaalsContact CD1-C 3.48Å; Y145-R184 HydrophobicContact CD1-CG 4.33Å; Y145-R184 HydrophobicContact CD2-CG 4.11Å; Y145-R184 HydrophobicContact CE1-CG 3.99Å; Y145-R184 HydrophobicContact CE2-CG 3.72Å; Y145-R184 HydrophobicContact CG-CG 4.38Å; Y145-R184 PolarHBondContact OH-NE 2.86Å
146	G	93.7	Very high	93.1	Very high	1 Å²	1	50 Å²	50	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-55.2	-32.2	177.4	0	0	0	0	0	112.9	Q148 L149 L150 Q183	G146-Q148 VanDerWaalsContact C-N 3.3Å; G146-Q148 PolarHBondContact O-N 3.46Å; G146-L149 PolarHBondContact O-N 3.32Å; G146-L150 PolarHBondContact O-N 3.34Å; G146-Q183 PolarHBondContact N-O 3.31Å
147	Q	93.8	Very high	93.1	Very high	50 Å²	50	44.9 Å²	44.9	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-39.9	176.2	-169.2	62.6	54.1	0	0	112.9	Y145 L149 L150 D151 T181	Y145-Q147 PolarHBondContact O-N 2.76Å; Y145-Q147 VanDerWaalsContact O-N 3.14Å; Q147-L149 PolarHBondContact O-N 2.92Å; Q147-L150 PolarHBondContact O-N 2.77Å; Q147-D151 PolarHBondContact NE2-OD1 2.66Å; Q147-D151 WeakPolarHBondContact O-CB 3.49Å; Q147-D151 PolarHBondContact O-N 2.93Å; Q147-T181 WeakPolarHBondContact CB-O 3.45Å; Q147-T181 PolarHBondContact N-O 3.33Å
148	Q	93.9	Very high	92.9	Very high	50 Å²	50	38.3 Å²	38.3	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-69.7	-35.1	-176.7	-69.6	158.8	-76.3	0	0	111.9	F117 A144 Y145 G146 A152	F117-Q148 VanDerWaalsContact CD2-NE2 3.32Å; A144-Q148 VanDerWaalsContact CA-OE1 3.31Å; A144-Q148 HydrophobicContact CB-CB 4.42Å; Y145-Q148 PolarHBondContact O-N 2.69Å; G146-Q148 VanDerWaalsContact C-N 3.3Å; G146-Q148 PolarHBondContact O-N 3.46Å; Q148-A152 WeakPolarHBondContact O-CB 3.36Å; Q148-A152 PolarHBondContact O-N 2.88Å; Q148-A152 VanDerWaalsContact O-N 3.1Å
149	L	95.4	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-45.8	172.2	-179.3	61.5	0	0	0	110.8	V128 F138 L140 G146 Q147 D151 A152 V153 I167 L179 I185 F196	V128-L149 HydrophobicContact CG2-CD1 3.96Å; F138-L149 HydrophobicContact CB-CD1 4.37Å; L140-L149 HydrophobicContact CD1-CB 3.6Å; L140-L149 HydrophobicContact CD1-CD1 3.57Å; L140-L149 HydrophobicContact CD1-CG 4.06Å; G146-L149 PolarHBondContact O-N 3.32Å; Q147-L149 PolarHBondContact O-N 2.92Å; L149-D151 VanDerWaalsContact C-N 3.35Å; L149-D151 PolarHBondContact O-N 2.85Å; L149-A152 PolarHBondContact O-N 3.17Å; L149-V153 HydrophobicContact CD1-CG2 4.18Å; L149-V153 HydrophobicContact CG-CG2 4.46Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 2.96Å; L149-I167 HydrophobicContact CB-CD1 4.18Å; L149-I167 HydrophobicContact CD2-CD1 3.72Å; L149-I167 HydrophobicContact CD2-CG2 4.18Å; L149-I167 HydrophobicContact CG-CD1 3.51Å; L149-L179 HydrophobicContact CD2-CD2 4.01Å; L149-I185 HydrophobicContact CB-CD1 3.88Å; L149-I185 HydrophobicContact CD2-CD1 4.32Å; L149-F196 HydrophobicContact CD2-CB 4.47Å; L149-F196 HydrophobicContact CD2-CD1 4.24Å; L149-F196 HydrophobicContact CD2-CD2 3.5Å; L149-F196 VanDerWaalsContact CD2-CD2 3.5Å; L149-F196 HydrophobicContact CD2-CE1 4.44Å; L149-F196 HydrophobicContact CD2-CE2 3.67Å; L149-F196 HydrophobicContact CD2-CG 3.81Å; L149-F196 HydrophobicContact CD2-CZ 4.18Å
150	L	95.1	Very high	92.5	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.073	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-46.6	177.7	-178.1	62.5	0	0	0	111.5	G146 Q147 A152 V153 C154 I167 T181 F198	G146-L150 PolarHBondContact O-N 3.34Å; Q147-L150 PolarHBondContact O-N 2.77Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.01Å; L150-V153 PolarHBondContact O-N 3.17Å; L150-C154 WeakPolarHBondContact O-CB 3.41Å; L150-C154 PolarHBondContact O-N 2.87Å; L150-C154 PolarHBondContact O-SG 2.81Å; L150-C154 VanDerWaalsContact O-SG 3.32Å; L150-I167 HydrophobicContact CB-CD1 4.24Å; L150-I167 HydrophobicContact CD1-CD1 4.36Å; L150-I167 HydrophobicContact CD1-CG1 4.15Å; L150-T181 HydrophobicContact CD2-CG2 3.97Å; L150-F198 HydrophobicContact CD1-CE2 4.06Å
151	D	93.3	Very high	92.5	Very high	71 Å²	71	34.8 Å²	34.8	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-41.5	178.2	-68.2	-13.3	0	0	0	111.8	Q147 L149 T155	Q147-D151 PolarHBondContact NE2-OD1 2.66Å; Q147-D151 WeakPolarHBondContact O-CB 3.49Å; Q147-D151 PolarHBondContact O-N 2.93Å; L149-D151 VanDerWaalsContact C-N 3.35Å; L149-D151 PolarHBondContact O-N 2.85Å; D151-T155 VanDerWaalsContact O-CB 3.22Å; D151-T155 WeakPolarHBondContact O-CB 3.32Å; D151-T155 PolarHBondContact O-N 2.81Å; D151-T155 PolarHBondContact O-OG1 2.59Å
152	A	93.3	Very high	92.5	Very high	32 Å²	32	35.8 Å²	35.8	26%	0.264	19%	0.193	S	C	.	.	H	α-helix	trans	-63.5	-44.8	177.5	0	0	0	0	0	111.7	F138 Q148 L149 L150 T155 H156	F138-A152 HydrophobicContact CD1-CB 3.97Å; F138-A152 HydrophobicContact CE1-CB 4.29Å; Q148-A152 WeakPolarHBondContact O-CB 3.36Å; Q148-A152 PolarHBondContact O-N 2.88Å; Q148-A152 VanDerWaalsContact O-N 3.1Å; L149-A152 PolarHBondContact O-N 3.17Å; L150-A152 VanDerWaalsContact C-N 3.34Å; L150-A152 PolarHBondContact O-N 3.01Å; A152-T155 PolarHBondContact O-N 2.94Å; A152-H156 PolarHBondContact O-N 3.26Å
153	V	95	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-50	177.5	174.2	0	0	0	0	110.9	V128 M130 F138 L149 L150 T155 H156 L157 I167 F198	V128-V153 HydrophobicContact CB-CG2 4.5Å; V128-V153 HydrophobicContact CG1-CG2 4.22Å; V128-V153 HydrophobicContact CG2-CG2 4.01Å; M130-V153 HydrophobicContact CE-CG1 3.89Å; M130-V153 HydrophobicContact SD-CG1 4.31Å; F138-V153 HydrophobicContact CD2-CG2 4.32Å; F138-V153 HydrophobicContact CE1-CG2 4.25Å; F138-V153 HydrophobicContact CE2-CG2 3.78Å; F138-V153 HydrophobicContact CZ-CB 4.31Å; F138-V153 HydrophobicContact CZ-CG2 3.74Å; L149-V153 HydrophobicContact CD1-CG2 4.18Å; L149-V153 HydrophobicContact CG-CG2 4.46Å; L149-V153 VanDerWaalsContact O-CG2 3.28Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 2.96Å; L150-V153 PolarHBondContact O-N 3.17Å; V153-T155 VanDerWaalsContact C-N 3.31Å; V153-T155 PolarHBondContact O-N 3.03Å; V153-H156 WeakPolarHBondContact O-CB 3.26Å; V153-H156 PolarHBondContact O-N 3.26Å; V153-L157 HydrophobicContact CG1-CD1 4.31Å; V153-L157 WeakPolarHBondContact O-CG 3.44Å; V153-L157 PolarHBondContact O-N 3.38Å; V153-I167 HydrophobicContact CG2-CD1 4.17Å; V153-F198 HydrophobicContact CG1-CB 4.19Å; V153-F198 HydrophobicContact CG1-CD1 4.46Å; V153-F198 HydrophobicContact CG1-CD2 3.55Å; V153-F198 HydrophobicContact CG1-CE2 3.96Å; V153-F198 HydrophobicContact CG1-CG 3.82Å
154	C	93.8	Very high	92.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-37.7	178.7	-69.2	0	0	0	0	112.1	L150 L157 G158 L159 V162	L150-C154 WeakPolarHBondContact O-CB 3.41Å; L150-C154 PolarHBondContact O-N 2.87Å; L150-C154 PolarHBondContact O-SG 2.81Å; L150-C154 VanDerWaalsContact O-SG 3.32Å; C154-L157 CarbonylContact O-C 3.53Å; C154-L157 PolarHBondContact O-N 3.39Å; C154-G158 PolarHBondContact O-N 2.96Å; C154-L159 HydrophobicContact CB-CB 4.37Å; C154-L159 PolarHBondContact O-N 3.46Å; C154-V162 HydrophobicContact CB-CG1 3.59Å
155	T	91.6	Very high	92.8	Very high	92 Å²	92	34.2 Å²	34.2	56%	0.564	19%	0.186	S	C	*	.	H	α-helix	trans	-63.1	-43.7	174.4	-59.6	0	0	0	0	111.2	D151 A152 V153 L157 G158	D151-T155 VanDerWaalsContact O-CB 3.22Å; D151-T155 WeakPolarHBondContact O-CB 3.32Å; D151-T155 PolarHBondContact O-N 2.81Å; D151-T155 PolarHBondContact O-OG1 2.59Å; A152-T155 PolarHBondContact O-N 2.94Å; V153-T155 VanDerWaalsContact C-N 3.31Å; V153-T155 PolarHBondContact O-N 3.03Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.91Å; T155-G158 PolarHBondContact O-N 3.4Å
156	H	91.4	Very high	92.8	Very high	76 Å²	76	33.5 Å²	33.5	35%	0.352	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-34.8	176.7	176.4	77.2	0	0	0	113.2	K51 F138 A152 V153 G158	K51-H156 PolarHBondContact NZ-O 2.92Å; F138-H156 HydrophobicContact CE1-CB 4.04Å; F138-H156 HydrophobicContact CZ-CB 4.16Å; A152-H156 PolarHBondContact O-N 3.26Å; V153-H156 WeakPolarHBondContact O-CB 3.26Å; V153-H156 PolarHBondContact O-N 3.26Å; H156-G158 VanDerWaalsContact C-N 3.27Å
157	L	90.5	Very high	93	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.058	19%	0.185	C	C	.	.	H	α-helix	trans	-79.4	-11.1	174.4	-66.3	-177.8	0	0	0	113.1	M55 M130 V153 C154 T155 L159 F198 Y218	M55-L157 WeakPolarHBondContact CE-O 3.25Å; M130-L157 HydrophobicContact CE-CD1 3.62Å; M130-L157 HydrophobicContact CE-CD2 3.32Å; M130-L157 HydrophobicContact CE-CG 3.54Å; V153-L157 HydrophobicContact CG1-CD1 4.31Å; V153-L157 WeakPolarHBondContact O-CG 3.44Å; V153-L157 PolarHBondContact O-N 3.38Å; C154-L157 CarbonylContact O-C 3.53Å; C154-L157 PolarHBondContact O-N 3.39Å; T155-L157 VanDerWaalsContact C-N 3.3Å; T155-L157 PolarHBondContact O-N 2.91Å; L157-L159 VanDerWaalsContact C-N 3.25Å; L157-L159 HydrophobicContact CB-CB 4.34Å; L157-L159 PolarHBondContact O-N 3.44Å; L157-F198 HydrophobicContact CD1-CD1 3.78Å; L157-F198 HydrophobicContact CD1-CE1 3.37Å; L157-F198 HydrophobicContact CD1-CZ 3.87Å; L157-Y218 HydrophobicContact CB-CE2 4.02Å; L157-Y218 HydrophobicContact CD1-CE1 4.31Å; L157-Y218 HydrophobicContact CD1-CE2 4.49Å; L157-Y218 HydrophobicContact CD2-CE1 3.94Å; L157-Y218 WeakPolarHBondContact CD2-OH 3.27Å; L157-Y218 PolarHBondContact O-OH 3.33Å
158	G	89.9	Confident	93	Very high	19 Å²	19	31.3 Å²	31.3	20%	0.196	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	34.4	-170.3	0	0	0	0	0	112.1	R58 C154 T155 H156	R58-G158 PolarHBondContact NH1-O 3.07Å; R58-G158 PolarHBondContact NH2-O 3.14Å; C154-G158 PolarHBondContact O-N 2.96Å; T155-G158 PolarHBondContact O-N 3.4Å; H156-G158 VanDerWaalsContact C-N 3.27Å
159	L	90.3	Very high	92.9	Very high	7 Å²	7	30 Å²	30	4%	0.037	17%	0.168	C	C	.	.			trans	-88.2	128.3	-178.1	-172.5	82.6	0	0	0	110.8	C154 L157 V162 F165 F198 T215 Y218	C154-L159 HydrophobicContact CB-CB 4.37Å; C154-L159 PolarHBondContact O-N 3.46Å; L157-L159 VanDerWaalsContact C-N 3.25Å; L157-L159 HydrophobicContact CB-CB 4.34Å; L157-L159 PolarHBondContact O-N 3.44Å; L159-V162 HydrophobicContact CD2-CG1 4.33Å; L159-V162 WeakPolarHBondContact O-CG1 3.41Å; L159-F165 HydrophobicContact CD1-CE2 3.83Å; L159-F165 HydrophobicContact CD1-CZ 4.13Å; L159-F165 HydrophobicContact CD2-CD2 3.24Å; L159-F165 HydrophobicContact CD2-CE2 3.31Å; L159-F165 HydrophobicContact CD2-CG 3.97Å; L159-F165 HydrophobicContact CD2-CZ 4.09Å; L159-F165 HydrophobicContact CG-CD2 4.46Å; L159-F165 HydrophobicContact CG-CE2 4.14Å; L159-F198 HydrophobicContact CD2-CZ 4.33Å; L159-T215 HydrophobicContact CD1-CG2 4.43Å; L159-Y218 HydrophobicContact CD1-CD2 3.78Å; L159-Y218 HydrophobicContact CD1-CE2 4.31Å
160	L	89	Confident	92.6	Very high	120 Å²	120	32.9 Å²	32.9	63%	0.628	18%	0.179	S	C	*	.	S	Bend	trans	-96.3	-37.6	175.1	-57.5	179.4	0	0	0	113	V162 E212	L160-V162 PolarHBondContact O-N 3.37Å; L160-E212 VanDerWaalsContact CB-OE2 3.29Å; L160-E212 WeakPolarHBondContact CB-OE2 3.22Å; L160-E212 WeakPolarHBondContact CD1-OE1 3.43Å; L160-E212 PolarHBondContact N-OE2 2.95Å
161	E	91.4	Very high	92.1	Very high	20 Å²	20	34.1 Å²	34.1	9%	0.093	19%	0.185	C	C	.	.			trans	-82.2	61.7	178	-62.6	178.4	108.1	0	0	111	E163 F164 I210 K211 E212 T215	E161-E163 PolarHBondContact O-N 2.89Å; E161-F164 HydrophobicContact CB-CD2 4.08Å; E161-F164 HydrophobicContact CB-CE2 4.04Å; E161-I210 WeakPolarHBondContact OE2-CG2 3.35Å; E161-K211 WeakPolarHBondContact OE1-CB 3.45Å; E161-K211 PolarHBondContact OE1-N 3.23Å; E161-K211 PolarHBondContact OE2-N 3.43Å; E161-E212 PolarHBondContact OE2-N 2.87Å; E161-T215 HydrophobicContact CB-CG2 4.05Å; E161-T215 WeakPolarHBondContact OE2-CB 3.38Å; E161-T215 PolarHBondContact OE2-OG1 3.14Å
162	V	92.5	Very high	91.5	Very high	45 Å²	45	35.7 Å²	35.7	27%	0.273	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-66.3	-20.5	-172.5	-57.4	0	0	0	0	113.8	C154 L159 L160 F164 F165	C154-V162 HydrophobicContact CB-CG1 3.59Å; L159-V162 HydrophobicContact CD2-CG1 4.33Å; L159-V162 WeakPolarHBondContact O-CG1 3.41Å; L160-V162 PolarHBondContact O-N 3.37Å; V162-F164 PolarHBondContact O-N 3.29Å; V162-F165 PolarHBondContact O-N 2.76Å; V162-F165 VanDerWaalsContact O-N 3.15Å
163	E	90.6	Very high	91	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.299	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.5	-21	-172.3	62.6	-110.2	-122.7	0	0	115.4	E161 F165 F202 F402 R406	E161-E163 PolarHBondContact O-N 2.89Å; E163-F165 VanDerWaalsContact C-N 3.26Å; E163-F202 VanDerWaalsContact O-CD2 3.25Å; E163-F202 WeakPolarHBondContact O-CD2 3.25Å; E163-F402 HydrophobicContact CB-CE2 4.07Å; E163-F402 HydrophobicContact CG-CE2 3.99Å; E163-F402 HydrophobicContact CG-CZ 4.3Å; E163-R406 VanDerWaalsContact CD-NH2 3.3Å; E163-R406 IonicContact OE1-CZ 3.98Å; E163-R406 VanDerWaalsContact OE1-CZ 3.23Å; E163-R406 IonicContact OE1-NH1 2.76Å; E163-R406 PolarHBondContact OE1-NH1 3.26Å; E163-R406 IonicContact OE1-NH2 3.79Å; E163-R406 PolarHBondContact OE1-NH2 2.84Å
164	F	94	Very high	90.3	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.053	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-78.5	-15	179.9	-63.3	-75.7	0	0	0	112.1	E161 V162 K201 F202 P204 I210 T215 F402	E161-F164 HydrophobicContact CB-CD2 4.08Å; E161-F164 HydrophobicContact CB-CE2 4.04Å; V162-F164 PolarHBondContact O-N 3.29Å; F164-K201 PolarHBondContact O-N 3.44Å; F164-F202 PolarHBondContact O-N 3.48Å; F164-P204 HydrophobicContact CD1-CG 4.33Å; F164-P204 HydrophobicContact CE1-CB 4.13Å; F164-P204 HydrophobicContact CE1-CG 4.05Å; F164-I210 HydrophobicContact CE2-CG1 4.45Å; F164-I210 HydrophobicContact CZ-CG1 4.25Å; F164-T215 HydrophobicContact CD2-CG2 4.05Å; F164-T215 HydrophobicContact CE2-CG2 4.45Å; F164-F402 HydrophobicContact CD1-CE1 4.25Å; F164-F402 AromaticContact CD1-CZ 3.69Å; F164-F402 HydrophobicContact CD1-CZ 3.69Å; F164-F402 HydrophobicContact CE1-CE1 4.13Å; F164-F402 AromaticContact CE1-CZ 3.68Å; F164-F402 HydrophobicContact CE1-CZ 3.68Å
165	F	95.8	Very high	89.8	Confident	9 Å²	9	44.4 Å²	44.4	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	162.8	-168.4	-56.5	-93.8	0	0	0	112	L131 L159 V162 E163 F198 Q199 V200 T215	L131-F165 HydrophobicContact CD1-CD1 4.35Å; L131-F165 HydrophobicContact CD1-CE1 4.04Å; L159-F165 HydrophobicContact CD1-CE2 3.83Å; L159-F165 HydrophobicContact CD1-CZ 4.13Å; L159-F165 HydrophobicContact CD2-CD2 3.24Å; L159-F165 HydrophobicContact CD2-CE2 3.31Å; L159-F165 HydrophobicContact CD2-CG 3.97Å; L159-F165 HydrophobicContact CD2-CZ 4.09Å; L159-F165 HydrophobicContact CG-CD2 4.46Å; L159-F165 HydrophobicContact CG-CE2 4.14Å; V162-F165 PolarHBondContact O-N 2.76Å; V162-F165 VanDerWaalsContact O-N 3.15Å; E163-F165 VanDerWaalsContact C-N 3.26Å; F165-F198 HydrophobicContact CB-CE1 4.34Å; F165-F198 HydrophobicContact CB-CE2 3.54Å; F165-F198 HydrophobicContact CB-CZ 3.41Å; F165-F198 VanDerWaalsContact CB-CZ 3.41Å; F165-F198 AromaticContact CD1-CE1 3.55Å; F165-F198 HydrophobicContact CD1-CE1 3.55Å; F165-F198 HydrophobicContact CD1-CE2 4.32Å; F165-F198 AromaticContact CD1-CZ 3.42Å; F165-F198 HydrophobicContact CD1-CZ 3.42Å; F165-F198 VanDerWaalsContact CD1-CZ 3.42Å; F165-F198 HydrophobicContact CD2-CZ 4.34Å; F165-F198 HydrophobicContact CE1-CE1 4.13Å; F165-F198 HydrophobicContact CE1-CZ 4.27Å; F165-F198 HydrophobicContact CG-CE1 4.1Å; F165-F198 HydrophobicContact CG-CE2 4.14Å; F165-F198 AromaticContact CG-CZ 3.45Å; F165-F198 HydrophobicContact CG-CZ 3.45Å; F165-F198 VanDerWaalsContact CG-CZ 3.45Å; F165-Q199 WeakPolarHBondContact CA-O 3.32Å; F165-V200 HydrophobicContact CD1-CG2 3.95Å; F165-V200 HydrophobicContact CE1-CG2 3.7Å; F165-T215 HydrophobicContact CE2-CG2 3.96Å; F165-T215 HydrophobicContact CZ-CG2 4.17Å
166	G	95.6	Very high	89.5	Confident	7 Å²	7	40.9 Å²	40.9	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	179.4	175.2	0	0	0	0	0	111.2	Q199	G166-Q199 PolarHBondContact N-O 2.76Å; G166-Q199 PolarHBondContact O-N 2.7Å
167	I	96.2	Very high	89.6	Confident	5 Å²	5	38.4 Å²	38.4	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.9	176.7	-64.8	-176.5	0	0	0	108.4	L149 L150 V153 L179 F196 E197 F198	L149-I167 HydrophobicContact CB-CD1 4.18Å; L149-I167 HydrophobicContact CD2-CD1 3.72Å; L149-I167 HydrophobicContact CD2-CG2 4.18Å; L149-I167 HydrophobicContact CG-CD1 3.51Å; L150-I167 HydrophobicContact CB-CD1 4.24Å; L150-I167 HydrophobicContact CD1-CD1 4.36Å; L150-I167 HydrophobicContact CD1-CG1 4.15Å; V153-I167 HydrophobicContact CG2-CD1 4.17Å; I167-L179 HydrophobicContact CB-CB 4.18Å; I167-L179 HydrophobicContact CB-CD2 4.21Å; I167-L179 HydrophobicContact CG2-CB 4.27Å; I167-L179 HydrophobicContact CG2-CD2 4.02Å; I167-L179 WeakPolarHBondContact O-CB 3.44Å; I167-L179 PolarHBondContact O-N 3.42Å; I167-F196 HydrophobicContact CG2-CB 3.61Å; I167-F196 HydrophobicContact CG2-CD1 3.82Å; I167-F196 HydrophobicContact CG2-CG 3.93Å; I167-E197 CarbonylContact C-O 3.56Å; I167-E197 WeakPolarHBondContact CA-O 3.26Å; I167-F198 HydrophobicContact CG1-CD2 4.31Å
168	T	94.4	Very high	89.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	154.2	174.6	53.5	0	0	0	0	111.4	W176 F177 W178 F196 E197 Q199	T168-W176 HydrophobicContact CG2-CE3 3.65Å; T168-W176 HydrophobicContact CG2-CZ3 3.64Å; T168-F177 CarbonylContact C-O 3.58Å; T168-F177 VanDerWaalsContact CA-O 3.22Å; T168-F177 WeakPolarHBondContact CA-O 3.35Å; T168-W178 HydrophobicContact CG2-CD2 3.9Å; T168-W178 HydrophobicContact CG2-CE3 3.51Å; T168-W178 HydrophobicContact CG2-CH2 4.02Å; T168-W178 HydrophobicContact CG2-CZ2 4.37Å; T168-W178 HydrophobicContact CG2-CZ3 3.58Å; T168-F196 CarbonylContact O-C 3.59Å; T168-F196 VanDerWaalsContact O-CA 3.28Å; T168-F196 WeakPolarHBondContact O-CA 3.28Å; T168-E197 PolarHBondContact N-O 3.31Å; T168-E197 PolarHBondContact O-N 3.03Å; T168-E197 WeakPolarHBondContact OG1-CB 3.1Å; T168-E197 PolarHBondContact OG1-O 3.45Å; T168-Q199 PolarHBondContact OG1-NE2 3.43Å
169	Y	92.7	Very high	90	Very high	24 Å²	24	38.6 Å²	38.6	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.4	171.6	72.4	-84.1	0	0	0	110.1	W176 F177 L179 Q188 I189	Y169-W176 CarbonylContact O-C 3.51Å; Y169-W176 VanDerWaalsContact O-CA 3.27Å; Y169-W176 WeakPolarHBondContact O-CA 3.01Å; Y169-F177 HydrophobicContact CD1-CB 4.25Å; Y169-F177 HydrophobicContact CE1-CB 3.69Å; Y169-F177 HydrophobicContact CE2-CB 4.48Å; Y169-F177 PolarHBondContact N-O 2.85Å; Y169-F177 PolarHBondContact O-N 2.87Å; Y169-L179 HydrophobicContact CD1-CB 4.35Å; Y169-L179 HydrophobicContact CD1-CD1 4.15Å; Y169-L179 HydrophobicContact CE1-CD1 4.29Å; Y169-Q188 HydrophobicContact CE1-CB 4.34Å; Y169-Q188 PolarHBondContact OH-O 2.63Å; Y169-Q188 VanDerWaalsContact OH-O 3.09Å; Y169-I189 HydrophobicContact CD1-CG2 4.48Å; Y169-I189 HydrophobicContact CD2-CB 4.49Å; Y169-I189 HydrophobicContact CD2-CG2 3.73Å; Y169-I189 HydrophobicContact CE2-CG2 4.02Å; Y169-I189 HydrophobicContact CG-CG2 3.98Å
170	Y	87.5	Confident	90.1	Very high	60 Å²	60	40.5 Å²	40.5	24%	0.235	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	137.3	172.8	-67.1	-89.7	0	0	0	111.2	W176 E197 H462 P463	Y170-W176 HydrophobicContact CD1-CB 3.98Å; Y170-W176 HydrophobicContact CE1-CB 3.93Å; Y170-E197 WeakPolarHBondContact CE2-OE1 3.36Å; Y170-H462 AromaticContact CE1-CE1 3.5Å; Y170-H462 VanDerWaalsContact CE1-CE1 3.5Å; Y170-H462 WeakPolarHBondContact CE1-CE1 3.39Å; Y170-H462 AromaticContact CE1-ND1 3.11Å; Y170-H462 WeakPolarHBondContact CE1-ND1 3.49Å; Y170-H462 AromaticContact CE2-CE1 3.68Å; Y170-H462 AromaticContact CZ-CE1 3.11Å; Y170-H462 AromaticContact CZ-ND1 3.09Å; Y170-H462 PolarHBondContact OH-CE1 3.29Å; Y170-H462 PolarHBondContact OH-ND1 3.22Å; Y170-P463 HydrophobicContact CE1-CG 3.91Å
171	D	84.6	Confident	90.3	Very high	39 Å²	39	37.3 Å²	37.3	21%	0.209	20%	0.201	C	C	.	.			trans	-82.4	178.5	169.1	80.4	-1.2	0	0	0	111.9	T173 N174 N175 F177	D171-T173 PolarHBondContact O-N 3.01Å; D171-T173 VanDerWaalsContact O-N 3.13Å; D171-T173 VanDerWaalsContact OD1-CA 3.27Å; D171-T173 WeakPolarHBondContact OD1-CA 3.47Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 3.15Å; D171-T173 PolarHBondContact OD1-OG1 3.18Å; D171-T173 PolarHBondContact OD2-OG1 3.49Å; D171-N174 PolarHBondContact O-N 2.89Å; D171-N174 VanDerWaalsContact O-N 3.1Å; D171-N174 PolarHBondContact OD1-N 2.79Å; D171-N174 VanDerWaalsContact OD1-N 3.16Å; D171-N175 PolarHBondContact N-O 2.96Å; D171-N175 PolarHBondContact OD1-N 2.87Å; D171-F177 HydrophobicContact CB-CD2 4.25Å; D171-F177 HydrophobicContact CB-CE2 3.96Å; D171-F177 WeakPolarHBondContact OD2-CE2 3.4Å
172	S	82	Confident	90.3	Very high	105 Å²	105	38.7 Å²	38.7	73%	0.734	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.7	178.5	59.4	0	0	0	0	114.5	N192	S172-N192 PolarHBondContact N-ND2 3.41Å
173	T	82.4	Confident	90.3	Very high	85 Å²	85	40.7 Å²	40.7	52%	0.521	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	10.1	176.8	66.9	0	0	0	0	112.4	D171 N175	D171-T173 PolarHBondContact O-N 3.01Å; D171-T173 VanDerWaalsContact O-N 3.13Å; D171-T173 VanDerWaalsContact OD1-CA 3.27Å; D171-T173 WeakPolarHBondContact OD1-CA 3.47Å; D171-T173 WeakPolarHBondContact OD1-CB 3.32Å; D171-T173 PolarHBondContact OD1-N 3.15Å; D171-T173 PolarHBondContact OD1-OG1 3.18Å; D171-T173 PolarHBondContact OD2-OG1 3.49Å; T173-N175 PolarHBondContact O-N 3.17Å; T173-N175 PolarHBondContact OG1-ND2 3.31Å
174	N	80.4	Confident	90.4	Very high	89 Å²	89	41.8 Å²	41.8	48%	0.476	22%	0.217	S	C	.	.	S	Bend	trans	61.3	24	-177	-154.3	28.8	0	0	0	113.3	D171 P463	D171-N174 PolarHBondContact O-N 2.89Å; D171-N174 VanDerWaalsContact O-N 3.1Å; D171-N174 PolarHBondContact OD1-N 2.79Å; D171-N174 VanDerWaalsContact OD1-N 3.16Å; N174-P463 WeakPolarHBondContact ND2-CB 3.44Å; N174-P463 WeakPolarHBondContact ND2-CG 3.36Å
175	N	82.3	Confident	90.4	Very high	43 Å²	43	41.2 Å²	41.2	23%	0.23	21%	0.214	C	C	.	.			trans	-93.1	135.1	169.1	-73.8	-67.6	0	0	0	108.8	D171 T173 F177	D171-N175 PolarHBondContact N-O 2.96Å; D171-N175 PolarHBondContact OD1-N 2.87Å; T173-N175 PolarHBondContact O-N 3.17Å; T173-N175 PolarHBondContact OG1-ND2 3.31Å; N175-F177 HydrophobicContact CB-CE2 3.78Å; N175-F177 HydrophobicContact CB-CZ 4.23Å; N175-F177 WeakPolarHBondContact O-CD2 3.46Å; N175-F177 WeakPolarHBondContact O-CE2 3.47Å
176	W	87.2	Confident	90.2	Very high	18 Å²	18	42.4 Å²	42.4	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.3	179.4	72	-91.4	0	0	0	112.8	T168 Y169 Y170 W178 R391 H462	T168-W176 HydrophobicContact CG2-CE3 3.65Å; T168-W176 HydrophobicContact CG2-CZ3 3.64Å; Y169-W176 CarbonylContact O-C 3.51Å; Y169-W176 VanDerWaalsContact O-CA 3.27Å; Y169-W176 WeakPolarHBondContact O-CA 3.01Å; Y170-W176 HydrophobicContact CD1-CB 3.98Å; Y170-W176 HydrophobicContact CE1-CB 3.93Å; W176-W178 HydrophobicContact CH2-CZ2 4.15Å; W176-W178 AromaticContact CH2-NE1 3.71Å; W176-W178 AromaticContact CZ3-CD1 3.92Å; W176-W178 HydrophobicContact CZ3-CD2 4.15Å; W176-W178 AromaticContact CZ3-CE2 3.64Å; W176-W178 HydrophobicContact CZ3-CG 4.31Å; W176-W178 HydrophobicContact CZ3-CZ2 4.01Å; W176-W178 AromaticContact CZ3-NE1 3.5Å; W176-R391 VanDerWaalsContact O-CZ 3.27Å; W176-R391 PolarHBondContact O-NE 2.92Å; W176-R391 PolarHBondContact O-NH1 2.99Å; W176-H462 WeakPolarHBondContact CB-CE1 2.95Å; W176-H462 WeakPolarHBondContact CB-ND1 3.48Å; W176-H462 AromaticContact CD1-CE1 3.83Å; W176-H462 AromaticContact CD1-CG 3.36Å; W176-H462 AromaticContact CD1-ND1 3.08Å; W176-H462 AromaticContact CD2-CE1 3.85Å; W176-H462 AromaticContact CD2-ND1 3.86Å; W176-H462 HydrophobicContact CG-CB 4.44Å; W176-H462 AromaticContact CG-CE1 3.34Å; W176-H462 AromaticContact CG-CG 3.65Å; W176-H462 AromaticContact CG-ND1 3.06Å; W176-H462 AromaticContact CG-NE2 3.97Å; W176-H462 AromaticContact NE1-CG 3.61Å; W176-H462 AromaticContact NE1-ND1 3.83Å
177	F	91.7	Very high	90	Very high	24 Å²	24	49.8 Å²	49.8	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.1	-180	-66.1	-91	0	0	0	111.1	T168 Y169 D171 N175 L179 T387 R391	T168-F177 CarbonylContact C-O 3.58Å; T168-F177 VanDerWaalsContact CA-O 3.22Å; T168-F177 WeakPolarHBondContact CA-O 3.35Å; Y169-F177 HydrophobicContact CD1-CB 4.25Å; Y169-F177 HydrophobicContact CE1-CB 3.69Å; Y169-F177 HydrophobicContact CE2-CB 4.48Å; Y169-F177 PolarHBondContact N-O 2.85Å; Y169-F177 PolarHBondContact O-N 2.87Å; D171-F177 HydrophobicContact CB-CD2 4.25Å; D171-F177 HydrophobicContact CB-CE2 3.96Å; D171-F177 WeakPolarHBondContact OD2-CE2 3.4Å; N175-F177 HydrophobicContact CB-CE2 3.78Å; N175-F177 HydrophobicContact CB-CZ 4.23Å; N175-F177 WeakPolarHBondContact O-CD2 3.46Å; N175-F177 WeakPolarHBondContact O-CE2 3.47Å; F177-L179 PolarHBondContact O-N 2.96Å; F177-T387 HydrophobicContact CE1-CG2 3.83Å; F177-T387 HydrophobicContact CZ-CG2 3.77Å; F177-R391 HydrophobicContact CD1-CB 4.25Å; F177-R391 HydrophobicContact CD1-CG 4.17Å; F177-R391 HydrophobicContact CE1-CB 4.01Å; F177-R391 HydrophobicContact CE1-CG 4.31Å
178	W	94.2	Very high	89.8	Confident	23 Å²	23	50.8 Å²	50.8	9%	0.087	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.1	165.1	-68	107.1	0	0	0	110.1	T168 W176 Q180 Q199 K201	T168-W178 HydrophobicContact CG2-CD2 3.9Å; T168-W178 HydrophobicContact CG2-CE3 3.51Å; T168-W178 HydrophobicContact CG2-CH2 4.02Å; T168-W178 HydrophobicContact CG2-CZ2 4.37Å; T168-W178 HydrophobicContact CG2-CZ3 3.58Å; W176-W178 HydrophobicContact CH2-CZ2 4.15Å; W176-W178 AromaticContact CH2-NE1 3.71Å; W176-W178 AromaticContact CZ3-CD1 3.92Å; W176-W178 HydrophobicContact CZ3-CD2 4.15Å; W176-W178 AromaticContact CZ3-CE2 3.64Å; W176-W178 HydrophobicContact CZ3-CG 4.31Å; W176-W178 HydrophobicContact CZ3-CZ2 4.01Å; W176-W178 AromaticContact CZ3-NE1 3.5Å; W178-Q180 PolarHBondContact O-N 3.43Å; W178-Q180 PolarHBondContact O-NE2 3.28Å; W178-Q199 HydrophobicContact CH2-CB 3.91Å; W178-Q199 HydrophobicContact CZ3-CB 4.14Å; W178-K201 HydrophobicContact CD2-CD 4.01Å; W178-K201 HydrophobicContact CD2-CG 4.08Å; W178-K201 HydrophobicContact CE3-CB 4.29Å; W178-K201 HydrophobicContact CE3-CD 4.04Å; W178-K201 HydrophobicContact CE3-CG 4.18Å; W178-K201 HydrophobicContact CG-CD 4.47Å; W178-K201 VanDerWaalsContact CH2-CA 3.48Å; W178-K201 HydrophobicContact CH2-CB 3.62Å; W178-K201 HydrophobicContact CH2-CG 3.98Å; W178-K201 HydrophobicContact CZ2-CB 3.97Å; W178-K201 HydrophobicContact CZ2-CG 3.84Å; W178-K201 HydrophobicContact CZ3-CB 3.78Å; W178-K201 HydrophobicContact CZ3-CD 4.39Å; W178-K201 HydrophobicContact CZ3-CG 4.13Å
179	L	94.8	Very high	89.5	Confident	11 Å²	11	51.3 Å²	51.3	6%	0.058	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-62.1	119.2	172.5	-171.7	69.9	0	0	0	109.2	L149 I167 Y169 F177 T181 I185 Q188 F196	L149-L179 HydrophobicContact CD2-CD2 4.01Å; I167-L179 HydrophobicContact CB-CB 4.18Å; I167-L179 HydrophobicContact CB-CD2 4.21Å; I167-L179 HydrophobicContact CG2-CB 4.27Å; I167-L179 HydrophobicContact CG2-CD2 4.02Å; I167-L179 WeakPolarHBondContact O-CB 3.44Å; I167-L179 PolarHBondContact O-N 3.42Å; Y169-L179 HydrophobicContact CD1-CB 4.35Å; Y169-L179 HydrophobicContact CD1-CD1 4.15Å; Y169-L179 HydrophobicContact CE1-CD1 4.29Å; F177-L179 PolarHBondContact O-N 2.96Å; L179-T181 PolarHBondContact O-N 3.11Å; L179-I185 HydrophobicContact CD1-CG1 4.42Å; L179-I185 HydrophobicContact CD2-CG1 4.29Å; L179-Q188 HydrophobicContact CD1-CB 4.36Å; L179-F196 HydrophobicContact CD1-CE1 4.24Å; L179-F196 HydrophobicContact CD2-CE1 4.34Å
180	Q	93.8	Very high	89.2	Confident	48 Å²	48	52.5 Å²	52.5	22%	0.224	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-73.2	121.5	177.7	-55.3	-62.3	-65.2	0	0	108.9	W178 D182 Q183 Q188	W178-Q180 PolarHBondContact O-N 3.43Å; W178-Q180 PolarHBondContact O-NE2 3.28Å; Q180-D182 VanDerWaalsContact C-N 3.28Å; Q180-D182 PolarHBondContact O-N 3.1Å; Q180-Q183 HydrophobicContact CB-CB 4.2Å; Q180-Q183 HydrophobicContact CB-CG 4.25Å; Q180-Q183 PolarHBondContact O-N 3.4Å; Q180-Q188 VanDerWaalsContact CB-OE1 3.3Å; Q180-Q188 PolarHBondContact O-NE2 3.35Å
181	T	92.6	Very high	89	Confident	53 Å²	53	59.9 Å²	59.9	33%	0.325	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.3	-173.9	52.8	0	0	0	0	112.8	Q147 L150 L179	Q147-T181 WeakPolarHBondContact CB-O 3.45Å; Q147-T181 PolarHBondContact N-O 3.33Å; L150-T181 HydrophobicContact CD2-CG2 3.97Å; L179-T181 PolarHBondContact O-N 3.11Å
182	D	90.4	Very high	89	Confident	49 Å²	49	61 Å²	61	26%	0.262	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.5	-179.9	70.8	-34.1	0	0	0	114.1	Y145 Q180	Y145-D182 VanDerWaalsContact CD1-O 3.3Å; Y145-D182 WeakPolarHBondContact CD1-O 3.39Å; Y145-D182 WeakPolarHBondContact CE1-O 3.42Å; Q180-D182 VanDerWaalsContact C-N 3.28Å; Q180-D182 PolarHBondContact O-N 3.1Å
183	Q	92.3	Very high	89.3	Confident	86 Å²	86	63 Å²	63	40%	0.402	32%	0.32	S	S	.	.	S	Bend	trans	-119.6	150.9	-179.4	-66	-178.7	35.8	0	0	112.9	Y145 G146 Q180 I185 Q188	Y145-Q183 WeakPolarHBondContact CA-O 3.06Å; Y145-Q183 VanDerWaalsContact CD1-C 3.48Å; G146-Q183 PolarHBondContact N-O 3.31Å; Q180-Q183 HydrophobicContact CB-CB 4.2Å; Q180-Q183 HydrophobicContact CB-CG 4.25Å; Q180-Q183 PolarHBondContact O-N 3.4Å; Q183-I185 PolarHBondContact O-N 3.29Å; Q183-Q188 HydrophobicContact CB-CG 4.16Å; Q183-Q188 PolarHBondContact O-NE2 2.88Å; Q183-Q188 VanDerWaalsContact O-NE2 3.16Å
184	R	92.7	Very high	89.8	Confident	88 Å²	88	60.1 Å²	60.1	33%	0.332	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-63.1	132.1	175	-65.6	-172	-174.3	-174.2	-3.2	110.9	A144 Y145 A186 K187 Q188	A144-R184 CarbonylContact O-C 2.89Å; A144-R184 WeakPolarHBondContact O-CA 3.4Å; Y145-R184 HydrophobicContact CD1-CG 4.33Å; Y145-R184 HydrophobicContact CD2-CG 4.11Å; Y145-R184 HydrophobicContact CE1-CG 3.99Å; Y145-R184 HydrophobicContact CE2-CG 3.72Å; Y145-R184 HydrophobicContact CG-CG 4.38Å; Y145-R184 PolarHBondContact OH-NE 2.86Å; R184-A186 VanDerWaalsContact C-N 3.34Å; R184-A186 PolarHBondContact O-N 2.85Å; R184-K187 HydrophobicContact CB-CD 4.47Å; R184-K187 HydrophobicContact CB-CG 4.27Å; R184-K187 PolarHBondContact O-N 3.31Å; R184-Q188 PolarHBondContact O-N 3.5Å
185	I	94.1	Very high	90.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.7	-49.1	-178.8	-63.9	173.4	0	0	0	110.3	L140 A144 L149 L179 Q183 K187 Q188 I189 W194 F196	L140-I185 HydrophobicContact CD1-CD1 4.01Å; A144-I185 HydrophobicContact CB-CD1 4.29Å; A144-I185 PolarHBondContact O-N 3.31Å; L149-I185 HydrophobicContact CB-CD1 3.88Å; L149-I185 HydrophobicContact CD2-CD1 4.32Å; L179-I185 HydrophobicContact CD1-CG1 4.42Å; L179-I185 HydrophobicContact CD2-CG1 4.29Å; Q183-I185 PolarHBondContact O-N 3.29Å; I185-K187 PolarHBondContact O-N 3.19Å; I185-Q188 PolarHBondContact O-N 3.04Å; I185-I189 HydrophobicContact CG2-CD1 3.78Å; I185-I189 HydrophobicContact CG2-CG2 4.46Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 2.81Å; I185-W194 HydrophobicContact CB-CE3 4.42Å; I185-W194 HydrophobicContact CB-CH2 3.69Å; I185-W194 HydrophobicContact CB-CZ2 4.11Å; I185-W194 HydrophobicContact CB-CZ3 3.87Å; I185-W194 HydrophobicContact CD1-CE3 4.33Å; I185-W194 HydrophobicContact CD1-CH2 4.26Å; I185-W194 HydrophobicContact CD1-CZ3 3.7Å; I185-W194 HydrophobicContact CG1-CZ3 4.38Å; I185-W194 HydrophobicContact CG2-CD2 3.84Å; I185-W194 HydrophobicContact CG2-CE3 3.68Å; I185-W194 HydrophobicContact CG2-CH2 3.73Å; I185-W194 HydrophobicContact CG2-CZ2 3.86Å; I185-W194 HydrophobicContact CG2-CZ3 3.65Å; I185-F196 HydrophobicContact CG2-CE1 4.3Å; I185-F196 HydrophobicContact CG2-CE2 4.43Å; I185-F196 HydrophobicContact CG2-CZ 3.56Å
186	A	91.8	Very high	90.9	Very high	33 Å²	33	59.3 Å²	59.3	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-56	-25.6	179.1	0	0	0	0	0	114.5	R184 G190 W194	R184-A186 VanDerWaalsContact C-N 3.34Å; R184-A186 PolarHBondContact O-N 2.85Å; A186-G190 PolarHBondContact O-N 2.84Å; A186-W194 HydrophobicContact CB-CZ2 4.15Å
187	K	91.3	Very high	91.2	Very high	162 Å²	162	59.5 Å²	59.5	70%	0.704	29%	0.293	S	S	*	.	H	α-helix	trans	-82.3	-25.5	177.1	-71.7	-172.4	175.3	-176.1	0	113	R184 I185	R184-K187 HydrophobicContact CB-CD 4.47Å; R184-K187 HydrophobicContact CB-CG 4.27Å; R184-K187 PolarHBondContact O-N 3.31Å; I185-K187 PolarHBondContact O-N 3.19Å
188	Q	92.4	Very high	91.4	Very high	27 Å²	27	58.3 Å²	58.3	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-86.5	-42.1	-175.4	-63.9	-175.8	69.6	0	0	112	Y169 L179 Q180 Q183 R184 I185	Y169-Q188 HydrophobicContact CE1-CB 4.34Å; Y169-Q188 PolarHBondContact OH-O 2.63Å; Y169-Q188 VanDerWaalsContact OH-O 3.09Å; L179-Q188 HydrophobicContact CD1-CB 4.36Å; Q180-Q188 VanDerWaalsContact CB-OE1 3.3Å; Q180-Q188 PolarHBondContact O-NE2 3.35Å; Q183-Q188 HydrophobicContact CB-CG 4.16Å; Q183-Q188 PolarHBondContact O-NE2 2.88Å; Q183-Q188 VanDerWaalsContact O-NE2 3.16Å; R184-Q188 PolarHBondContact O-N 3.5Å; I185-Q188 PolarHBondContact O-N 3.04Å
189	I	88.6	Confident	91.5	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-90	-15.6	-178.2	70	-174.6	0	0	0	113.1	Y169 I185 K191 N192 W194 F196	Y169-I189 HydrophobicContact CD1-CG2 4.48Å; Y169-I189 HydrophobicContact CD2-CB 4.49Å; Y169-I189 HydrophobicContact CD2-CG2 3.73Å; Y169-I189 HydrophobicContact CE2-CG2 4.02Å; Y169-I189 HydrophobicContact CG-CG2 3.98Å; I185-I189 HydrophobicContact CG2-CD1 3.78Å; I185-I189 HydrophobicContact CG2-CG2 4.46Å; I185-I189 WeakPolarHBondContact O-CG1 3.36Å; I185-I189 PolarHBondContact O-N 2.81Å; I189-K191 PolarHBondContact O-N 3.04Å; I189-N192 WeakPolarHBondContact O-CB 3.35Å; I189-N192 PolarHBondContact O-N 3.46Å; I189-W194 HydrophobicContact CD1-CB 4.44Å; I189-W194 HydrophobicContact CD1-CD2 3.92Å; I189-W194 HydrophobicContact CD1-CG 3.6Å; I189-F196 HydrophobicContact CD1-CZ 4.39Å; I189-F196 HydrophobicContact CG2-CE1 3.99Å; I189-F196 HydrophobicContact CG2-CZ 4.28Å
190	G	85.2	Confident	91.5	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	-121	-178.1	0	0	0	0	0	112.9	A186	A186-G190 PolarHBondContact O-N 2.84Å
191	K	84.2	Confident	91.6	Very high	214 Å²	214	57 Å²	57	93%	0.93	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.7	-179.5	-65.7	-175.4	-179.4	179.8	0	113.3	I189	I189-K191 PolarHBondContact O-N 3.04Å
192	N	84.3	Confident	91.7	Very high	63 Å²	63	55.4 Å²	55.4	34%	0.337	27%	0.27	S	S	.	.	S	Bend	trans	-69.1	156.7	179.5	-65.8	-3	0	0	0	110.8	S172 I189	S172-N192 PolarHBondContact N-ND2 3.41Å; I189-N192 WeakPolarHBondContact O-CB 3.35Å; I189-N192 PolarHBondContact O-N 3.46Å
193	E	87.9	Confident	91.9	Very high	147 Å²	147	54.3 Å²	54.3	69%	0.687	26%	0.263	S	S	*	.			trans	-61.7	148.1	171	-65.8	-174.7	171.7	0	0	110.7	Q195	E193-Q195 HydrophobicContact CB-CG 3.99Å; E193-Q195 PolarHBondContact O-N 3.48Å; E193-Q195 PolarHBondContact OE2-NE2 2.93Å
194	W	92.7	Very high	91.7	Very high	25 Å²	25	50.5 Å²	50.5	10%	0.095	25%	0.245	C	C	.	.			trans	-79.4	70.3	-178.7	-75	46.1	0	0	0	109.9	V124 C126 T127 L140 I185 A186 I189 F196	V124-W194 HydrophobicContact CB-CD2 4.36Å; V124-W194 HydrophobicContact CB-CZ2 4.49Å; V124-W194 HydrophobicContact CG1-CB 4.44Å; V124-W194 HydrophobicContact CG1-CD2 3.77Å; V124-W194 HydrophobicContact CG1-CE3 4.29Å; V124-W194 HydrophobicContact CG1-CG 3.83Å; V124-W194 HydrophobicContact CG2-CZ2 4.45Å; C126-W194 CarbonylContact C-O 3.57Å; C126-W194 VanDerWaalsContact CA-O 3.27Å; C126-W194 WeakPolarHBondContact CA-O 3.38Å; C126-W194 HydrophobicContact CB-CB 3.54Å; C126-W194 HydrophobicContact CB-CD2 4.47Å; C126-W194 HydrophobicContact CB-CE3 3.93Å; C126-W194 HydrophobicContact CB-CG 4.4Å; C126-W194 WeakPolarHBondContact CB-O 3.33Å; T127-W194 PolarHBondContact N-O 2.81Å; L140-W194 HydrophobicContact CB-CZ3 4.14Å; L140-W194 HydrophobicContact CD1-CZ3 4.26Å; I185-W194 HydrophobicContact CB-CE3 4.42Å; I185-W194 HydrophobicContact CB-CH2 3.69Å; I185-W194 HydrophobicContact CB-CZ2 4.11Å; I185-W194 HydrophobicContact CB-CZ3 3.87Å; I185-W194 HydrophobicContact CD1-CE3 4.33Å; I185-W194 HydrophobicContact CD1-CH2 4.26Å; I185-W194 HydrophobicContact CD1-CZ3 3.7Å; I185-W194 HydrophobicContact CG1-CZ3 4.38Å; I185-W194 HydrophobicContact CG2-CD2 3.84Å; I185-W194 HydrophobicContact CG2-CE3 3.68Å; I185-W194 HydrophobicContact CG2-CH2 3.73Å; I185-W194 HydrophobicContact CG2-CZ2 3.86Å; I185-W194 HydrophobicContact CG2-CZ3 3.65Å; A186-W194 HydrophobicContact CB-CZ2 4.15Å; I189-W194 HydrophobicContact CD1-CB 4.44Å; I189-W194 HydrophobicContact CD1-CD2 3.92Å; I189-W194 HydrophobicContact CD1-CG 3.6Å; W194-F196 HydrophobicContact CB-CE2 3.76Å; W194-F196 HydrophobicContact CB-CZ 4.22Å; W194-F196 HydrophobicContact CD2-CE2 4.5Å; W194-F196 HydrophobicContact CE3-CE2 4.24Å; W194-F196 HydrophobicContact CE3-CZ 4.48Å; W194-F196 HydrophobicContact CG-CE2 4.36Å; W194-F196 HydrophobicContact CG-CZ 4.47Å
195	Q	92.1	Very high	91.4	Very high	109 Å²	109	47.9 Å²	47.9	51%	0.509	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	177.6	-55.8	-171.8	-2.2	0	0	110.1	E193	E193-Q195 HydrophobicContact CB-CG 3.99Å; E193-Q195 PolarHBondContact O-N 3.48Å; E193-Q195 PolarHBondContact OE2-NE2 2.93Å
196	F	95.4	Very high	91.1	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164	-170.9	-57.8	-73.8	0	0	0	112.2	C126 T127 V128 V129 L149 I167 T168 L179 I185 I189 W194	C126-F196 HydrophobicContact CB-CD2 4.25Å; C126-F196 HydrophobicContact CB-CE2 3.94Å; T127-F196 PolarHBondContact O-N 3.41Å; V128-F196 CarbonylContact C-O 3.6Å; V128-F196 VanDerWaalsContact CA-O 3.32Å; V128-F196 WeakPolarHBondContact CA-O 3.46Å; V128-F196 HydrophobicContact CG2-CB 4.22Å; V129-F196 PolarHBondContact N-O 3.06Å; L149-F196 HydrophobicContact CD2-CB 4.47Å; L149-F196 HydrophobicContact CD2-CD1 4.24Å; L149-F196 HydrophobicContact CD2-CD2 3.5Å; L149-F196 VanDerWaalsContact CD2-CD2 3.5Å; L149-F196 HydrophobicContact CD2-CE1 4.44Å; L149-F196 HydrophobicContact CD2-CE2 3.67Å; L149-F196 HydrophobicContact CD2-CG 3.81Å; L149-F196 HydrophobicContact CD2-CZ 4.18Å; I167-F196 HydrophobicContact CG2-CB 3.61Å; I167-F196 HydrophobicContact CG2-CD1 3.82Å; I167-F196 HydrophobicContact CG2-CG 3.93Å; T168-F196 CarbonylContact O-C 3.59Å; T168-F196 VanDerWaalsContact O-CA 3.28Å; T168-F196 WeakPolarHBondContact O-CA 3.28Å; L179-F196 HydrophobicContact CD1-CE1 4.24Å; L179-F196 HydrophobicContact CD2-CE1 4.34Å; I185-F196 HydrophobicContact CG2-CE1 4.3Å; I185-F196 HydrophobicContact CG2-CE2 4.43Å; I185-F196 HydrophobicContact CG2-CZ 3.56Å; I189-F196 HydrophobicContact CD1-CZ 4.39Å; I189-F196 HydrophobicContact CG2-CE1 3.99Å; I189-F196 HydrophobicContact CG2-CZ 4.28Å; W194-F196 HydrophobicContact CB-CE2 3.76Å; W194-F196 HydrophobicContact CB-CZ 4.22Å; W194-F196 HydrophobicContact CD2-CE2 4.5Å; W194-F196 HydrophobicContact CE3-CE2 4.24Å; W194-F196 HydrophobicContact CE3-CZ 4.48Å; W194-F196 HydrophobicContact CG-CE2 4.36Å; W194-F196 HydrophobicContact CG-CZ 4.47Å
197	E	93.4	Very high	91	Very high	22 Å²	22	50.3 Å²	50.3	10%	0.103	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.5	170.5	-53.7	172.9	170.8	0	0	109.6	V129 I167 T168 Y170 Q199 H462	V129-E197 HydrophobicContact CB-CG 4.2Å; V129-E197 HydrophobicContact CG2-CG 4.42Å; V129-E197 WeakPolarHBondContact O-CA 3.02Å; I167-E197 CarbonylContact C-O 3.56Å; I167-E197 WeakPolarHBondContact CA-O 3.26Å; T168-E197 PolarHBondContact N-O 3.31Å; T168-E197 PolarHBondContact O-N 3.03Å; T168-E197 WeakPolarHBondContact OG1-CB 3.1Å; T168-E197 PolarHBondContact OG1-O 3.45Å; Y170-E197 WeakPolarHBondContact CE2-OE1 3.36Å; E197-Q199 HydrophobicContact CB-CG 4.33Å; E197-Q199 PolarHBondContact OE2-NE2 2.78Å; E197-H462 IonicContact OE2-CE1 2.77Å; E197-H462 IonicContact OE2-NE2 2.92Å; E197-H462 PolarHBondContact OE2-NE2 3.43Å
198	F	96.2	Very high	90.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.7	173.3	-178.9	-108.3	0	0	0	109.3	V128 V129 L131 L150 V153 L157 L159 F165 I167	V128-F198 HydrophobicContact CG1-CB 3.99Å; V129-F198 PolarHBondContact O-N 2.83Å; L131-F198 HydrophobicContact CD1-CD1 3.88Å; L131-F198 HydrophobicContact CD1-CE1 3.84Å; L131-F198 VanDerWaalsContact CD2-O 3.25Å; L131-F198 WeakPolarHBondContact CD2-O 3.37Å; L131-F198 HydrophobicContact CG-CD1 3.91Å; L131-F198 HydrophobicContact CG-CE1 4.39Å; L150-F198 HydrophobicContact CD1-CE2 4.06Å; V153-F198 HydrophobicContact CG1-CB 4.19Å; V153-F198 HydrophobicContact CG1-CD1 4.46Å; V153-F198 HydrophobicContact CG1-CD2 3.55Å; V153-F198 HydrophobicContact CG1-CE2 3.96Å; V153-F198 HydrophobicContact CG1-CG 3.82Å; L157-F198 HydrophobicContact CD1-CD1 3.78Å; L157-F198 HydrophobicContact CD1-CE1 3.37Å; L157-F198 HydrophobicContact CD1-CZ 3.87Å; L159-F198 HydrophobicContact CD2-CZ 4.33Å; F165-F198 HydrophobicContact CB-CE1 4.34Å; F165-F198 HydrophobicContact CB-CE2 3.54Å; F165-F198 HydrophobicContact CB-CZ 3.41Å; F165-F198 VanDerWaalsContact CB-CZ 3.41Å; F165-F198 AromaticContact CD1-CE1 3.55Å; F165-F198 HydrophobicContact CD1-CE1 3.55Å; F165-F198 HydrophobicContact CD1-CE2 4.32Å; F165-F198 AromaticContact CD1-CZ 3.42Å; F165-F198 HydrophobicContact CD1-CZ 3.42Å; F165-F198 VanDerWaalsContact CD1-CZ 3.42Å; F165-F198 HydrophobicContact CD2-CZ 4.34Å; F165-F198 HydrophobicContact CE1-CE1 4.13Å; F165-F198 HydrophobicContact CE1-CZ 4.27Å; F165-F198 HydrophobicContact CG-CE1 4.1Å; F165-F198 HydrophobicContact CG-CE2 4.14Å; F165-F198 AromaticContact CG-CZ 3.45Å; F165-F198 HydrophobicContact CG-CZ 3.45Å; F165-F198 VanDerWaalsContact CG-CZ 3.45Å; I167-F198 HydrophobicContact CG1-CD2 4.31Å
199	Q	95.5	Very high	90.4	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.089	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.6	-173.6	-61.3	-162.1	11.5	0	0	112.3	F165 G166 T168 W178 E197 K201 Q222 H462	F165-Q199 WeakPolarHBondContact CA-O 3.32Å; G166-Q199 PolarHBondContact N-O 2.76Å; G166-Q199 PolarHBondContact O-N 2.7Å; T168-Q199 PolarHBondContact OG1-NE2 3.43Å; W178-Q199 HydrophobicContact CH2-CB 3.91Å; W178-Q199 HydrophobicContact CZ3-CB 4.14Å; E197-Q199 HydrophobicContact CB-CG 4.33Å; E197-Q199 PolarHBondContact OE2-NE2 2.78Å; Q199-K201 PolarHBondContact O-N 3.24Å; Q199-Q222 VanDerWaalsContact CA-OE1 3.28Å; Q199-H462 PolarHBondContact NE2-NE2 3.15Å
200	V	95.5	Very high	90.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.3	165.9	179.8	0	0	0	0	108.6	F165 Y203 L219 Q222	F165-V200 HydrophobicContact CD1-CG2 3.95Å; F165-V200 HydrophobicContact CE1-CG2 3.7Å; V200-Y203 HydrophobicContact CB-CD2 4.39Å; V200-Y203 HydrophobicContact CB-CE2 3.9Å; V200-Y203 HydrophobicContact CG1-CD1 4.37Å; V200-Y203 HydrophobicContact CG1-CD2 3.74Å; V200-Y203 HydrophobicContact CG1-CE1 4.44Å; V200-Y203 HydrophobicContact CG1-CE2 3.77Å; V200-Y203 HydrophobicContact CG1-CG 4.05Å; V200-Y203 WeakPolarHBondContact O-CE2 3.48Å; V200-L219 HydrophobicContact CB-CD1 4.41Å; V200-L219 HydrophobicContact CG1-CD1 3.9Å; V200-L219 HydrophobicContact CG2-CD1 3.91Å; V200-Q222 HydrophobicContact CB-CB 4.22Å; V200-Q222 HydrophobicContact CB-CG 3.82Å; V200-Q222 HydrophobicContact CG2-CB 3.49Å; V200-Q222 VanDerWaalsContact CG2-CB 3.49Å; V200-Q222 HydrophobicContact CG2-CG 3.69Å
201	K	94.8	Very high	90.5	Very high	33 Å²	33	53.5 Å²	53.5	14%	0.143	26%	0.259	C	S	.	.	S	Bend	trans	-93	-36.2	177.3	-174.9	173.1	178.9	-176.7	0	112.3	F164 W178 Q199 D398	F164-K201 PolarHBondContact O-N 3.44Å; W178-K201 HydrophobicContact CD2-CD 4.01Å; W178-K201 HydrophobicContact CD2-CG 4.08Å; W178-K201 HydrophobicContact CE3-CB 4.29Å; W178-K201 HydrophobicContact CE3-CD 4.04Å; W178-K201 HydrophobicContact CE3-CG 4.18Å; W178-K201 HydrophobicContact CG-CD 4.47Å; W178-K201 VanDerWaalsContact CH2-CA 3.48Å; W178-K201 HydrophobicContact CH2-CB 3.62Å; W178-K201 HydrophobicContact CH2-CG 3.98Å; W178-K201 HydrophobicContact CZ2-CB 3.97Å; W178-K201 HydrophobicContact CZ2-CG 3.84Å; W178-K201 HydrophobicContact CZ3-CB 3.78Å; W178-K201 HydrophobicContact CZ3-CD 4.39Å; W178-K201 HydrophobicContact CZ3-CG 4.13Å; Q199-K201 PolarHBondContact O-N 3.24Å; K201-D398 WeakPolarHBondContact CE-OD2 2.96Å; K201-D398 IonicContact NZ-OD2 2.82Å; K201-D398 PolarHBondContact NZ-OD2 3.28Å
202	F	94.6	Very high	90.7	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.079	22%	0.222	C	C	.	.			trans	-126.7	110.5	-177.7	-54.2	-71.8	0	0	0	110.3	E163 F164 P204 D398 H399 F402 F403	E163-F202 VanDerWaalsContact O-CD2 3.25Å; E163-F202 WeakPolarHBondContact O-CD2 3.25Å; F164-F202 PolarHBondContact O-N 3.48Å; F202-P204 VanDerWaalsContact O-CD 3.31Å; F202-P204 WeakPolarHBondContact O-CD 3.33Å; F202-D398 HydrophobicContact CE1-CB 4.08Å; F202-D398 HydrophobicContact CZ-CB 4Å; F202-H399 AromaticContact CE1-ND1 3.91Å; F202-F402 HydrophobicContact CB-CD1 3.79Å; F202-F402 HydrophobicContact CB-CD2 4.43Å; F202-F402 HydrophobicContact CB-CE1 3.65Å; F202-F402 HydrophobicContact CB-CE2 4.3Å; F202-F402 HydrophobicContact CB-CG 4.19Å; F202-F402 HydrophobicContact CB-CZ 3.92Å; F202-F402 HydrophobicContact CD1-CB 3.93Å; F202-F402 HydrophobicContact CD1-CD1 4.11Å; F202-F402 HydrophobicContact CD1-CD2 4.37Å; F202-F402 AromaticContact CD1-CG 3.89Å; F202-F402 HydrophobicContact CD1-CG 3.89Å; F202-F402 HydrophobicContact CD2-CD1 4.4Å; F202-F402 AromaticContact CD2-CD2 3.61Å; F202-F402 HydrophobicContact CD2-CD2 3.61Å; F202-F402 AromaticContact CD2-CE2 3.76Å; F202-F402 HydrophobicContact CD2-CE2 3.76Å; F202-F402 AromaticContact CD2-CG 3.95Å; F202-F402 HydrophobicContact CD2-CG 3.95Å; F202-F402 HydrophobicContact CD2-CZ 4.24Å; F202-F402 HydrophobicContact CE1-CB 3.84Å; F202-F402 HydrophobicContact CE1-CG 4.19Å; F202-F402 HydrophobicContact CE2-CB 4.5Å; F202-F402 AromaticContact CE2-CD2 3.8Å; F202-F402 HydrophobicContact CE2-CD2 3.8Å; F202-F402 HydrophobicContact CE2-CE2 4.29Å; F202-F402 HydrophobicContact CE2-CG 4.24Å; F202-F402 HydrophobicContact CG-CB 4.29Å; F202-F402 AromaticContact CG-CD1 3.85Å; F202-F402 HydrophobicContact CG-CD1 3.85Å; F202-F402 AromaticContact CG-CD2 3.89Å; F202-F402 HydrophobicContact CG-CD2 3.89Å; F202-F402 HydrophobicContact CG-CE1 4.12Å; F202-F402 HydrophobicContact CG-CE2 4.14Å; F202-F402 AromaticContact CG-CG 3.74Å; F202-F402 HydrophobicContact CG-CG 3.74Å; F202-F402 HydrophobicContact CG-CZ 4.25Å; F202-F402 HydrophobicContact CZ-CB 4.12Å; F202-F402 HydrophobicContact CZ-CD2 4.26Å; F202-F402 HydrophobicContact CZ-CG 4.33Å; F202-F403 HydrophobicContact CB-CE2 4.25Å; F202-F403 HydrophobicContact CB-CZ 3.98Å; F202-F403 HydrophobicContact CD1-CE2 4.13Å
203	Y	94.2	Very high	90.9	Very high	26 Å²	26	44.2 Å²	44.2	10%	0.102	22%	0.218	C	C	.	.			trans	-88.3	111.3	179.4	-69.9	-112.7	0	0	0	109.5	V200 L219 Q222 V223 D226 Y313 F403	V200-Y203 HydrophobicContact CB-CD2 4.39Å; V200-Y203 HydrophobicContact CB-CE2 3.9Å; V200-Y203 HydrophobicContact CG1-CD1 4.37Å; V200-Y203 HydrophobicContact CG1-CD2 3.74Å; V200-Y203 HydrophobicContact CG1-CE1 4.44Å; V200-Y203 HydrophobicContact CG1-CE2 3.77Å; V200-Y203 HydrophobicContact CG1-CG 4.05Å; V200-Y203 WeakPolarHBondContact O-CE2 3.48Å; Y203-L219 HydrophobicContact CD1-CD1 3.94Å; Y203-L219 HydrophobicContact CE1-CD1 4.29Å; Y203-Q222 HydrophobicContact CE1-CG 4.08Å; Y203-Q222 WeakPolarHBondContact OH-CG 3.27Å; Y203-V223 HydrophobicContact CD1-CG2 4.34Å; Y203-V223 HydrophobicContact CE1-CG2 4.05Å; Y203-D226 WeakPolarHBondContact CE1-OD2 3.32Å; Y203-D226 PolarHBondContact OH-OD2 3.13Å; Y203-Y313 HydrophobicContact CD1-CD2 4.46Å; Y203-Y313 HydrophobicContact CD1-CE1 4.33Å; Y203-Y313 AromaticContact CD1-CE2 3.96Å; Y203-Y313 HydrophobicContact CD1-CE2 3.96Å; Y203-Y313 AromaticContact CD1-CZ 3.87Å; Y203-F403 WeakPolarHBondContact O-CZ 3.41Å
204	P	89.1	Confident	91	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.039	19%	0.186	C	C	.	.			trans	-72.5	135.8	179.7	28.2	-31	0	0	0	110.9	F164 F202 I210 L219 Y313	F164-P204 HydrophobicContact CD1-CG 4.33Å; F164-P204 HydrophobicContact CE1-CB 4.13Å; F164-P204 HydrophobicContact CE1-CG 4.05Å; F202-P204 VanDerWaalsContact O-CD 3.31Å; F202-P204 WeakPolarHBondContact O-CD 3.33Å; P204-I210 HydrophobicContact CG-CD1 3.71Å; P204-I210 HydrophobicContact CG-CG1 3.97Å; P204-L219 HydrophobicContact CG-CD2 4.12Å; P204-Y313 PolarHBondContact O-OH 3.07Å
205	C	86.3	Confident	91.1	Very high	33 Å²	33	36.2 Å²	36.2	22%	0.223	18%	0.182	C	C	.	.	S	Bend	trans	-72.7	-38.4	169.1	-177	0	0	0	0	111.1	I207 R308 Y334	C205-I207 PolarHBondContact O-N 2.89Å; C205-R308 VanDerWaalsContact O-CD 3.22Å; C205-R308 WeakPolarHBondContact O-CD 3.31Å; C205-R308 PolarHBondContact O-NH1 3Å; C205-Y334 HydrophobicContact CB-CD1 3.76Å; C205-Y334 HydrophobicContact CB-CD2 3.49Å; C205-Y334 VanDerWaalsContact CB-CD2 3.49Å; C205-Y334 HydrophobicContact CB-CE1 3.66Å; C205-Y334 HydrophobicContact CB-CE2 3.42Å; C205-Y334 VanDerWaalsContact CB-CE2 3.42Å; C205-Y334 HydrophobicContact CB-CG 3.69Å; C205-Y334 PolarHBondContact SG-OH 3.21Å
206	D	87.9	Confident	91.2	Very high	84 Å²	84	32.2 Å²	32.2	45%	0.449	16%	0.162	S	C	.	.			trans	-87.7	100	175.7	-175.7	13.1	0	0	0	110.3	D208 S209	D206-D208 PolarHBondContact O-N 2.97Å; D206-D208 PolarHBondContact OD1-N 2.99Å; D206-S209 WeakPolarHBondContact O-CB 3.49Å; D206-S209 PolarHBondContact O-N 3.39Å; D206-S209 PolarHBondContact O-OG 3.48Å
207	I	90.1	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-66	-27	-178.3	-56	-54.7	0	0	0	111.2	C205 S209 I210 R216 L219 L304 R308	C205-I207 PolarHBondContact O-N 2.89Å; I207-S209 PolarHBondContact O-N 2.92Å; I207-I210 WeakPolarHBondContact O-CB 3.32Å; I207-I210 PolarHBondContact O-N 2.98Å; I207-R216 HydrophobicContact CG2-CG 4.38Å; I207-L219 HydrophobicContact CD1-CD2 4.34Å; I207-L304 HydrophobicContact CD1-CB 3.96Å; I207-L304 HydrophobicContact CG1-CB 3.98Å; I207-L304 HydrophobicContact CG2-CB 3.86Å; I207-L304 HydrophobicContact CG2-CD1 3.86Å; I207-R308 HydrophobicContact CD1-CB 4.31Å; I207-R308 HydrophobicContact CG1-CB 4.47Å
208	D	85.3	Confident	91.1	Very high	77 Å²	77	32.1 Å²	32.1	41%	0.412	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-78.6	-12	-178.7	-64	-9.3	0	0	0	112.1	D206 I210 R301	D206-D208 PolarHBondContact O-N 2.97Å; D206-D208 PolarHBondContact OD1-N 2.99Å; D208-I210 PolarHBondContact O-N 3.46Å; D208-R301 IonicContact OD1-CZ 3.64Å; D208-R301 IonicContact OD1-NH1 3.46Å; D208-R301 PolarHBondContact OD1-NH1 3.39Å; D208-R301 IonicContact OD1-NH2 2.64Å; D208-R301 PolarHBondContact OD1-NH2 2.87Å; D208-R301 IonicContact OD2-CZ 3.42Å; D208-R301 IonicContact OD2-NH1 3.3Å; D208-R301 PolarHBondContact OD2-NH1 3.41Å; D208-R301 IonicContact OD2-NH2 3.56Å; D208-R301 PolarHBondContact OD2-NH2 2.88Å
209	S	84.7	Confident	91.1	Very high	57 Å²	57	32.4 Å²	32.4	40%	0.399	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-70.5	-19.9	170.9	75.4	0	0	0	0	113.2	D206 I207	D206-S209 WeakPolarHBondContact O-CB 3.49Å; D206-S209 PolarHBondContact O-N 3.39Å; D206-S209 PolarHBondContact O-OG 3.48Å; I207-S209 PolarHBondContact O-N 2.92Å
210	I	88	Confident	91.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.161	C	C	.	.			trans	-76.9	127.8	174.5	-58.2	174.6	0	0	0	108.6	E161 F164 P204 I207 D208 T215 R216 L219	E161-I210 WeakPolarHBondContact OE2-CG2 3.35Å; F164-I210 HydrophobicContact CE2-CG1 4.45Å; F164-I210 HydrophobicContact CZ-CG1 4.25Å; P204-I210 HydrophobicContact CG-CD1 3.71Å; P204-I210 HydrophobicContact CG-CG1 3.97Å; I207-I210 WeakPolarHBondContact O-CB 3.32Å; I207-I210 PolarHBondContact O-N 2.98Å; D208-I210 PolarHBondContact O-N 3.46Å; I210-T215 VanDerWaalsContact CG2-CB 3.47Å; I210-T215 HydrophobicContact CG2-CG2 3.51Å; I210-R216 HydrophobicContact CB-CG 4.27Å; I210-R216 HydrophobicContact CD1-CG 4.14Å; I210-R216 HydrophobicContact CG2-CG 4.05Å; I210-R216 PolarHBondContact O-NH1 3.2Å; I210-L219 HydrophobicContact CD1-CD2 3.65Å
211	K	87.9	Confident	91.1	Very high	179 Å²	179	31.9 Å²	31.9	78%	0.778	16%	0.161	S	C	*	.			trans	-86.1	-39.3	-174.1	-63.1	177.5	-176.2	173	0	112.9	E161	E161-K211 WeakPolarHBondContact OE1-CB 3.45Å; E161-K211 PolarHBondContact OE1-N 3.23Å; E161-K211 PolarHBondContact OE2-N 3.43Å
212	E	88.1	Confident	91.1	Very high	33 Å²	33	30.5 Å²	30.5	15%	0.154	16%	0.155	C	C	.	.			trans	-99.8	136.7	-175.4	-55.1	-165.1	105.1	0	0	112.6	R58 L160 E161 I214 T215 R216	R58-E212 IonicContact CZ-OE1 3.96Å; R58-E212 IonicContact CZ-OE2 3.92Å; R58-E212 IonicContact NE-OE1 2.7Å; R58-E212 PolarHBondContact NE-OE1 2.83Å; R58-E212 IonicContact NH2-OE1 3.28Å; R58-E212 PolarHBondContact NH2-OE1 3.42Å; R58-E212 IonicContact NH2-OE2 2.75Å; R58-E212 PolarHBondContact NH2-OE2 3.24Å; L160-E212 VanDerWaalsContact CB-OE2 3.29Å; L160-E212 WeakPolarHBondContact CB-OE2 3.22Å; L160-E212 WeakPolarHBondContact CD1-OE1 3.43Å; L160-E212 PolarHBondContact N-OE2 2.95Å; E161-E212 PolarHBondContact OE2-N 2.87Å; E212-I214 VanDerWaalsContact C-N 3.25Å; E212-I214 HydrophobicContact CB-CG2 4.03Å; E212-I214 PolarHBondContact O-N 3.44Å; E212-T215 WeakPolarHBondContact O-CB 3.42Å; E212-T215 PolarHBondContact O-N 3.29Å; E212-T215 VanDerWaalsContact O-N 3.11Å; E212-R216 PolarHBondContact O-N 2.94Å
213	D	88.8	Confident	91.1	Very high	48 Å²	48	29.7 Å²	29.7	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-62.2	-33.7	174.8	-67.9	-62.5	0	0	0	112.6	Y54 T215 R216 Y217 E297	Y54-D213 HydrophobicContact CD1-CB 3.55Å; Y54-D213 HydrophobicContact CE1-CB 3.66Å; D213-T215 VanDerWaalsContact C-N 3.25Å; D213-T215 PolarHBondContact O-N 2.94Å; D213-R216 VanDerWaalsContact CG-NH2 3.26Å; D213-R216 WeakPolarHBondContact O-CB 3.34Å; D213-R216 PolarHBondContact O-N 3.36Å; D213-R216 VanDerWaalsContact O-N 3.14Å; D213-R216 IonicContact OD1-CZ 3.21Å; D213-R216 VanDerWaalsContact OD1-CZ 3.27Å; D213-R216 IonicContact OD1-NE 3.17Å; D213-R216 PolarHBondContact OD1-NE 3.44Å; D213-R216 VanDerWaalsContact OD1-NE 3.11Å; D213-R216 IonicContact OD1-NH2 2.76Å; D213-R216 PolarHBondContact OD1-NH2 2.9Å; D213-R216 IonicContact OD2-NH2 3.23Å; D213-Y217 PolarHBondContact O-N 2.99Å; D213-E297 HydrophobicContact CB-CG 4.28Å
214	I	90.9	Very high	91.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-32.9	175.8	-157.8	175	0	0	0	112.1	M55 E212 Y217 Y218	M55-I214 HydrophobicContact CE-CD1 3.96Å; M55-I214 HydrophobicContact CG-CD1 3.8Å; E212-I214 VanDerWaalsContact C-N 3.25Å; E212-I214 HydrophobicContact CB-CG2 4.03Å; E212-I214 PolarHBondContact O-N 3.44Å; I214-Y217 WeakPolarHBondContact O-CB 3.38Å; I214-Y217 PolarHBondContact O-N 2.95Å; I214-Y218 HydrophobicContact CD1-CE2 4.02Å; I214-Y218 HydrophobicContact CG1-CD2 4.18Å; I214-Y218 HydrophobicContact CG1-CE2 3.66Å; I214-Y218 WeakPolarHBondContact O-CD2 3.31Å; I214-Y218 PolarHBondContact O-N 3.19Å; I214-Y218 VanDerWaalsContact O-N 3.1Å
215	T	93.5	Very high	91.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-68.2	-42.3	174.7	-54.1	0	0	0	0	110.4	L159 E161 F164 F165 I210 E212 D213 Y217 Y218 L219	L159-T215 HydrophobicContact CD1-CG2 4.43Å; E161-T215 HydrophobicContact CB-CG2 4.05Å; E161-T215 WeakPolarHBondContact OE2-CB 3.38Å; E161-T215 PolarHBondContact OE2-OG1 3.14Å; F164-T215 HydrophobicContact CD2-CG2 4.05Å; F164-T215 HydrophobicContact CE2-CG2 4.45Å; F165-T215 HydrophobicContact CE2-CG2 3.96Å; F165-T215 HydrophobicContact CZ-CG2 4.17Å; I210-T215 VanDerWaalsContact CG2-CB 3.47Å; I210-T215 HydrophobicContact CG2-CG2 3.51Å; E212-T215 WeakPolarHBondContact O-CB 3.42Å; E212-T215 PolarHBondContact O-N 3.29Å; E212-T215 VanDerWaalsContact O-N 3.11Å; D213-T215 VanDerWaalsContact C-N 3.25Å; D213-T215 PolarHBondContact O-N 2.94Å; T215-Y217 VanDerWaalsContact C-N 3.34Å; T215-Y218 PolarHBondContact O-N 3.47Å; T215-L219 PolarHBondContact O-N 3.08Å
216	R	94	Very high	91.4	Very high	26 Å²	26	27.6 Å²	27.6	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-43.2	172.2	-79	-175.7	-82.1	-78.8	-0.5	111.6	I207 I210 E212 D213 Y218 L219 C220 L304	I207-R216 HydrophobicContact CG2-CG 4.38Å; I210-R216 HydrophobicContact CB-CG 4.27Å; I210-R216 HydrophobicContact CD1-CG 4.14Å; I210-R216 HydrophobicContact CG2-CG 4.05Å; I210-R216 PolarHBondContact O-NH1 3.2Å; E212-R216 PolarHBondContact O-N 2.94Å; D213-R216 VanDerWaalsContact CG-NH2 3.26Å; D213-R216 WeakPolarHBondContact O-CB 3.34Å; D213-R216 PolarHBondContact O-N 3.36Å; D213-R216 VanDerWaalsContact O-N 3.14Å; D213-R216 IonicContact OD1-CZ 3.21Å; D213-R216 VanDerWaalsContact OD1-CZ 3.27Å; D213-R216 IonicContact OD1-NE 3.17Å; D213-R216 PolarHBondContact OD1-NE 3.44Å; D213-R216 VanDerWaalsContact OD1-NE 3.11Å; D213-R216 IonicContact OD1-NH2 2.76Å; D213-R216 PolarHBondContact OD1-NH2 2.9Å; D213-R216 IonicContact OD2-NH2 3.23Å; R216-Y218 PolarHBondContact O-N 3.32Å; R216-L219 CarbonylContact O-C 3.56Å; R216-L219 WeakPolarHBondContact O-CA 3.39Å; R216-L219 WeakPolarHBondContact O-CB 3.37Å; R216-L219 PolarHBondContact O-N 3.26Å; R216-L219 VanDerWaalsContact O-N 3.13Å; R216-C220 PolarHBondContact O-N 3.39Å; R216-C220 PolarHBondContact O-SG 3.03Å; R216-C220 VanDerWaalsContact O-SG 3.39Å; R216-L304 HydrophobicContact CB-CD1 3.84Å; R216-L304 HydrophobicContact CG-CD1 3.89Å
217	Y	93.5	Very high	91.5	Very high	14 Å²	14	23.7 Å²	23.7	6%	0.055	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-48.3	177.5	169.4	-118.7	0	0	0	112.2	K50 Y54 D213 I214 T215 L219 C220 L221	K50-Y217 HydrophobicContact CB-CE2 4.46Å; K50-Y217 HydrophobicContact CD-CD2 3.92Å; K50-Y217 HydrophobicContact CD-CE2 3.43Å; K50-Y217 VanDerWaalsContact CD-CE2 3.43Å; K50-Y217 HydrophobicContact CG-CD2 4.13Å; K50-Y217 HydrophobicContact CG-CE2 3.74Å; Y54-Y217 HydrophobicContact CD2-CD1 4.04Å; Y54-Y217 HydrophobicContact CD2-CD2 4.22Å; Y54-Y217 AromaticContact CD2-CG 3.72Å; Y54-Y217 HydrophobicContact CD2-CG 3.72Å; Y54-Y217 HydrophobicContact CE2-CD1 4.38Å; Y54-Y217 AromaticContact CE2-CD2 3.74Å; Y54-Y217 HydrophobicContact CE2-CD2 3.74Å; Y54-Y217 AromaticContact CE2-CG 3.62Å; Y54-Y217 HydrophobicContact CE2-CG 3.62Å; D213-Y217 PolarHBondContact O-N 2.99Å; I214-Y217 WeakPolarHBondContact O-CB 3.38Å; I214-Y217 PolarHBondContact O-N 2.95Å; T215-Y217 VanDerWaalsContact C-N 3.34Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 3.16Å; Y217-C220 WeakPolarHBondContact O-CB 3.44Å; Y217-C220 PolarHBondContact O-N 3.26Å; Y217-C220 VanDerWaalsContact O-N 3.13Å; Y217-L221 HydrophobicContact CD2-CG 4.43Å; Y217-L221 HydrophobicContact CE1-CD1 3.89Å; Y217-L221 HydrophobicContact CE2-CD1 4.13Å; Y217-L221 HydrophobicContact CE2-CD2 4.02Å; Y217-L221 HydrophobicContact CE2-CG 3.93Å; Y217-L221 PolarHBondContact O-N 2.89Å
218	Y	94.8	Very high	91.4	Very high	11 Å²	11	24.4 Å²	24.4	4%	0.043	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-35	175.9	-71.3	-56.6	0	0	0	112.3	L131 L157 L159 I214 T215 R216 L221 Q222	L131-Y218 HydrophobicContact CD1-CD1 4.23Å; L131-Y218 HydrophobicContact CD1-CG 4.44Å; L131-Y218 WeakPolarHBondContact CD1-O 3.33Å; L157-Y218 HydrophobicContact CB-CE2 4.02Å; L157-Y218 HydrophobicContact CD1-CE1 4.31Å; L157-Y218 HydrophobicContact CD1-CE2 4.49Å; L157-Y218 HydrophobicContact CD2-CE1 3.94Å; L157-Y218 WeakPolarHBondContact CD2-OH 3.27Å; L157-Y218 PolarHBondContact O-OH 3.33Å; L159-Y218 HydrophobicContact CD1-CD2 3.78Å; L159-Y218 HydrophobicContact CD1-CE2 4.31Å; I214-Y218 HydrophobicContact CD1-CE2 4.02Å; I214-Y218 HydrophobicContact CG1-CD2 4.18Å; I214-Y218 HydrophobicContact CG1-CE2 3.66Å; I214-Y218 WeakPolarHBondContact O-CD2 3.31Å; I214-Y218 PolarHBondContact O-N 3.19Å; I214-Y218 VanDerWaalsContact O-N 3.1Å; T215-Y218 PolarHBondContact O-N 3.47Å; R216-Y218 PolarHBondContact O-N 3.32Å; Y218-L221 HydrophobicContact CD1-CD1 4.06Å; Y218-L221 HydrophobicContact CE1-CD1 4.43Å; Y218-L221 PolarHBondContact O-N 2.98Å; Y218-Q222 PolarHBondContact O-N 3.38Å; Y218-Q222 VanDerWaalsContact O-N 3.09Å
219	L	95.3	Very high	91.3	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-40.4	171.3	-176.6	60.5	0	0	0	112	V200 Y203 P204 I207 I210 T215 R216 Y217 L221 Q222 V223 L304	V200-L219 HydrophobicContact CB-CD1 4.41Å; V200-L219 HydrophobicContact CG1-CD1 3.9Å; V200-L219 HydrophobicContact CG2-CD1 3.91Å; Y203-L219 HydrophobicContact CD1-CD1 3.94Å; Y203-L219 HydrophobicContact CE1-CD1 4.29Å; P204-L219 HydrophobicContact CG-CD2 4.12Å; I207-L219 HydrophobicContact CD1-CD2 4.34Å; I210-L219 HydrophobicContact CD1-CD2 3.65Å; T215-L219 PolarHBondContact O-N 3.08Å; R216-L219 CarbonylContact O-C 3.56Å; R216-L219 WeakPolarHBondContact O-CA 3.39Å; R216-L219 WeakPolarHBondContact O-CB 3.37Å; R216-L219 PolarHBondContact O-N 3.26Å; R216-L219 VanDerWaalsContact O-N 3.13Å; Y217-L219 VanDerWaalsContact C-N 3.3Å; Y217-L219 PolarHBondContact O-N 3.16Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.44Å; L219-Q222 PolarHBondContact O-N 3.44Å; L219-V223 HydrophobicContact CD1-CG2 4.21Å; L219-V223 HydrophobicContact CG-CG2 4.38Å; L219-V223 WeakPolarHBondContact O-CB 3.35Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.78Å; L219-L304 HydrophobicContact CB-CD1 4.43Å; L219-L304 HydrophobicContact CB-CD2 4.29Å; L219-L304 HydrophobicContact CD2-CD1 4.04Å; L219-L304 HydrophobicContact CD2-CD2 3.94Å; L219-L304 HydrophobicContact CG-CD1 4.37Å; L219-L304 HydrophobicContact CG-CD2 3.69Å
220	C	95.8	Very high	91	Very high	8 Å²	8	19.1 Å²	19.1	5%	0.054	9%	0.091	C	C	.	.	H	α-helix	trans	-59.1	-44.5	173.6	-70.9	0	0	0	0	111.5	R216 Y217 Q222 V223 R224 D300 F303 L304	R216-C220 PolarHBondContact O-N 3.39Å; R216-C220 PolarHBondContact O-SG 3.03Å; R216-C220 VanDerWaalsContact O-SG 3.39Å; Y217-C220 WeakPolarHBondContact O-CB 3.44Å; Y217-C220 PolarHBondContact O-N 3.26Å; Y217-C220 VanDerWaalsContact O-N 3.13Å; C220-Q222 PolarHBondContact O-N 3.27Å; C220-V223 PolarHBondContact O-N 3.48Å; C220-R224 WeakPolarHBondContact O-CB 3.45Å; C220-R224 PolarHBondContact O-N 3.36Å; C220-D300 VanDerWaalsContact SG-CB 3.56Å; C220-F303 HydrophobicContact CB-CD1 4.11Å; C220-F303 HydrophobicContact CB-CE1 4.18Å; C220-L304 VanDerWaalsContact SG-CG 3.52Å
221	L	94.5	Very high	90.8	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-45.1	178.2	-70.1	-177.8	0	0	0	111.9	L131 D132 Y217 Y218 L219 R224 Q225 F456	L131-L221 HydrophobicContact CB-CB 3.89Å; L131-L221 HydrophobicContact CB-CD1 4.18Å; D132-L221 HydrophobicContact CB-CD1 4.3Å; Y217-L221 HydrophobicContact CD2-CG 4.43Å; Y217-L221 HydrophobicContact CE1-CD1 3.89Å; Y217-L221 HydrophobicContact CE2-CD1 4.13Å; Y217-L221 HydrophobicContact CE2-CD2 4.02Å; Y217-L221 HydrophobicContact CE2-CG 3.93Å; Y217-L221 PolarHBondContact O-N 2.89Å; Y218-L221 HydrophobicContact CD1-CD1 4.06Å; Y218-L221 HydrophobicContact CE1-CD1 4.43Å; Y218-L221 PolarHBondContact O-N 2.98Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.44Å; L221-R224 PolarHBondContact O-N 3.19Å; L221-Q225 PolarHBondContact O-N 3.38Å; L221-F456 HydrophobicContact CD2-CD2 4.01Å; L221-F456 HydrophobicContact CD2-CE2 4.33Å
222	Q	95.3	Very high	90.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-62.4	-50.5	175.1	179.5	73.5	63.2	0	0	111.8	L131 Q199 V200 Y203 Y218 L219 C220 R224 Q225 D226	L131-Q222 HydrophobicContact CD2-CB 3.9Å; L131-Q222 HydrophobicContact CD2-CG 4.44Å; Q199-Q222 VanDerWaalsContact CA-OE1 3.28Å; V200-Q222 HydrophobicContact CB-CB 4.22Å; V200-Q222 HydrophobicContact CB-CG 3.82Å; V200-Q222 HydrophobicContact CG2-CB 3.49Å; V200-Q222 VanDerWaalsContact CG2-CB 3.49Å; V200-Q222 HydrophobicContact CG2-CG 3.69Å; Y203-Q222 HydrophobicContact CE1-CG 4.08Å; Y203-Q222 WeakPolarHBondContact OH-CG 3.27Å; Y218-Q222 PolarHBondContact O-N 3.38Å; Y218-Q222 VanDerWaalsContact O-N 3.09Å; L219-Q222 PolarHBondContact O-N 3.44Å; C220-Q222 PolarHBondContact O-N 3.27Å; Q222-R224 PolarHBondContact O-N 2.61Å; Q222-Q225 CarbonylContact O-C 3.58Å; Q222-Q225 WeakPolarHBondContact O-CA 3.49Å; Q222-Q225 VanDerWaalsContact O-CB 3.23Å; Q222-Q225 WeakPolarHBondContact O-CB 3.1Å; Q222-Q225 PolarHBondContact O-N 3.27Å; Q222-D226 PolarHBondContact NE2-OD1 2.83Å; Q222-D226 PolarHBondContact O-N 3.04Å
223	V	95.3	Very high	90.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.1	-37.1	-179	169.3	0	0	0	0	110.6	Y203 L219 C220 Q225 D226 I227 L232 F303 L304 A307 Y313	Y203-V223 HydrophobicContact CD1-CG2 4.34Å; Y203-V223 HydrophobicContact CE1-CG2 4.05Å; L219-V223 HydrophobicContact CD1-CG2 4.21Å; L219-V223 HydrophobicContact CG-CG2 4.38Å; L219-V223 WeakPolarHBondContact O-CB 3.35Å; L219-V223 VanDerWaalsContact O-CG2 3.24Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 2.78Å; C220-V223 PolarHBondContact O-N 3.48Å; V223-Q225 VanDerWaalsContact C-N 3.34Å; V223-D226 WeakPolarHBondContact O-CB 3.11Å; V223-D226 PolarHBondContact O-N 2.88Å; V223-I227 HydrophobicContact CG1-CD1 4.02Å; V223-I227 VanDerWaalsContact O-CG1 3.22Å; V223-I227 WeakPolarHBondContact O-CG1 3.39Å; V223-I227 PolarHBondContact O-N 2.72Å; V223-L232 HydrophobicContact CG1-CD2 3.9Å; V223-F303 HydrophobicContact CB-CE1 3.85Å; V223-F303 HydrophobicContact CB-CZ 4.29Å; V223-F303 HydrophobicContact CG1-CE1 3.52Å; V223-F303 HydrophobicContact CG1-CZ 3.72Å; V223-L304 HydrophobicContact CG2-CD2 4.18Å; V223-A307 HydrophobicContact CG1-CB 3.51Å; V223-Y313 HydrophobicContact CG2-CD2 4.35Å; V223-Y313 HydrophobicContact CG2-CE2 3.67Å
224	R	94.2	Very high	89.4	Confident	5 Å²	5	10 Å²	10	2%	0.019	5%	0.051	C	C	.	.	H	α-helix	trans	-64.3	-39.8	173.8	-171.6	179.3	171.1	-161.4	-11.8	111.9	C220 L221 Q222 D226 I227 V228 I246 H268 P269 F303 F456	C220-R224 WeakPolarHBondContact O-CB 3.45Å; C220-R224 PolarHBondContact O-N 3.36Å; L221-R224 PolarHBondContact O-N 3.19Å; Q222-R224 PolarHBondContact O-N 2.61Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-I227 PolarHBondContact O-N 2.71Å; R224-V228 WeakPolarHBondContact O-CG2 3.39Å; R224-V228 PolarHBondContact O-N 3.42Å; R224-I246 HydrophobicContact CG-CD1 3.92Å; R224-H268 PolarHBondContact NH1-CE1 2.92Å; R224-H268 PolarHBondContact NH1-NE2 2.97Å; R224-H268 PolarHBondContact NH2-CD2 3.36Å; R224-H268 PolarHBondContact NH2-CE1 3.49Å; R224-H268 VanDerWaalsContact NH2-CG 3.35Å; R224-H268 PolarHBondContact NH2-ND1 2.92Å; R224-H268 PolarHBondContact NH2-NE2 3.34Å; R224-P269 PolarHBondContact NE-O 3.42Å; R224-P269 PolarHBondContact NH2-O 2.97Å; R224-F303 HydrophobicContact CB-CZ 4.41Å; R224-F456 HydrophobicContact CB-CE2 4.29Å; R224-F456 HydrophobicContact CB-CZ 4.16Å; R224-F456 HydrophobicContact CG-CE1 4.09Å; R224-F456 HydrophobicContact CG-CE2 4.18Å; R224-F456 HydrophobicContact CG-CZ 3.83Å
225	Q	90.9	Very high	88.5	Confident	7 Å²	7	10.8 Å²	10.8	3%	0.033	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-40.9	172.1	-177.2	56.3	45	0	0	111.7	L221 Q222 V223 I227 S229 F456 M459	L221-Q225 PolarHBondContact O-N 3.38Å; Q222-Q225 CarbonylContact O-C 3.58Å; Q222-Q225 WeakPolarHBondContact O-CA 3.49Å; Q222-Q225 VanDerWaalsContact O-CB 3.23Å; Q222-Q225 WeakPolarHBondContact O-CB 3.1Å; Q222-Q225 PolarHBondContact O-N 3.27Å; V223-Q225 VanDerWaalsContact C-N 3.34Å; Q225-I227 PolarHBondContact O-N 3.05Å; Q225-S229 WeakPolarHBondContact O-CB 3.5Å; Q225-S229 PolarHBondContact O-N 2.8Å; Q225-S229 PolarHBondContact O-OG 2.98Å; Q225-F456 HydrophobicContact CB-CZ 4.27Å; Q225-M459 VanDerWaalsContact CD-N 3.26Å; Q225-M459 HydrophobicContact CG-CB 4.36Å; Q225-M459 HydrophobicContact CG-CE 3.8Å; Q225-M459 PolarHBondContact NE2-O 3.16Å
226	D	90.8	Very high	87.7	Confident	9 Å²	9	13.7 Å²	13.7	5%	0.048	7%	0.069	C	C	.	.	H	α-helix	trans	-65.6	-39.1	177.9	-54.1	-19.2	0	0	0	111.2	Y203 Q222 V223 R224 S229 G230 Q231 L232	Y203-D226 WeakPolarHBondContact CE1-OD2 3.32Å; Y203-D226 PolarHBondContact OH-OD2 3.13Å; Q222-D226 PolarHBondContact NE2-OD1 2.83Å; Q222-D226 PolarHBondContact O-N 3.04Å; V223-D226 WeakPolarHBondContact O-CB 3.11Å; V223-D226 PolarHBondContact O-N 2.88Å; R224-D226 VanDerWaalsContact C-N 3.32Å; D226-S229 WeakPolarHBondContact CA-OG 3.09Å; D226-S229 PolarHBondContact O-OG 2.67Å; D226-S229 VanDerWaalsContact O-OG 3.07Å; D226-G230 PolarHBondContact O-N 2.79Å; D226-Q231 HydrophobicContact CB-CB 4.35Å; D226-Q231 PolarHBondContact O-N 2.64Å; D226-L232 HydrophobicContact CB-CB 3.75Å; D226-L232 HydrophobicContact CB-CD2 4.46Å; D226-L232 PolarHBondContact O-N 3.11Å
227	I	89	Confident	86.7	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-53.1	176.1	-71.1	168.5	0	0	0	110.9	V223 R224 Q225 S229 G230 L232 Y239 L242 F270 P272 F303	V223-I227 HydrophobicContact CG1-CD1 4.02Å; V223-I227 VanDerWaalsContact O-CG1 3.22Å; V223-I227 WeakPolarHBondContact O-CG1 3.39Å; V223-I227 PolarHBondContact O-N 2.72Å; R224-I227 PolarHBondContact O-N 2.71Å; Q225-I227 PolarHBondContact O-N 3.05Å; I227-S229 VanDerWaalsContact C-N 3.35Å; I227-S229 PolarHBondContact O-N 3.04Å; I227-G230 PolarHBondContact O-N 3.23Å; I227-L232 HydrophobicContact CG1-CB 4.12Å; I227-L232 HydrophobicContact CG1-CD2 3.99Å; I227-L232 HydrophobicContact CG1-CG 4.18Å; I227-Y239 HydrophobicContact CG2-CD1 3.71Å; I227-Y239 HydrophobicContact CG2-CE1 3.4Å; I227-Y239 VanDerWaalsContact CG2-CE1 3.4Å; I227-L242 HydrophobicContact CD1-CD1 3.61Å; I227-F270 VanDerWaalsContact CG2-O 3.24Å; I227-F270 WeakPolarHBondContact CG2-O 3.48Å; I227-P272 WeakPolarHBondContact O-CD 3.44Å; I227-F303 HydrophobicContact CD1-CE2 4.18Å; I227-F303 HydrophobicContact CD1-CZ 3.87Å
228	V	89.2	Confident	85.8	Confident	16 Å²	16	14.8 Å²	14.8	10%	0.097	8%	0.08	C	C	.	.	H	α-helix	trans	-68.4	-34.8	-175.6	174.1	0	0	0	0	111.9	R224 G230 P269 P272 F456 P458	R224-V228 WeakPolarHBondContact O-CG2 3.39Å; R224-V228 PolarHBondContact O-N 3.42Å; V228-G230 PolarHBondContact O-N 3.1Å; V228-P269 HydrophobicContact CG1-CB 3.89Å; V228-P269 HydrophobicContact CG2-CB 3.91Å; V228-P269 HydrophobicContact CG2-CG 4.43Å; V228-P272 WeakPolarHBondContact O-CA 3.36Å; V228-F456 HydrophobicContact CG2-CE1 4.37Å; V228-P458 HydrophobicContact CG1-CB 3.82Å; V228-P458 HydrophobicContact CG1-CG 3.82Å
229	S	82.8	Confident	85.3	Confident	22 Å²	22	14.4 Å²	14.4	15%	0.154	8%	0.079	C	C	.	.	H	α-helix	trans	-72.3	-16.2	173.4	64.4	0	0	0	0	113.2	Q225 D226 I227 Q231	Q225-S229 WeakPolarHBondContact O-CB 3.5Å; Q225-S229 PolarHBondContact O-N 2.8Å; Q225-S229 PolarHBondContact O-OG 2.98Å; D226-S229 WeakPolarHBondContact CA-OG 3.09Å; D226-S229 PolarHBondContact O-OG 2.67Å; D226-S229 VanDerWaalsContact O-OG 3.07Å; I227-S229 VanDerWaalsContact C-N 3.35Å; I227-S229 PolarHBondContact O-N 3.04Å; S229-Q231 VanDerWaalsContact C-N 3.33Å; S229-Q231 WeakPolarHBondContact OG-CG 3.33Å
230	G	78.6	Confident	84.7	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	8	-177.4	0	0	0	0	0	115.1	D226 I227 V228 T470	D226-G230 PolarHBondContact O-N 2.79Å; I227-G230 PolarHBondContact O-N 3.23Å; V228-G230 PolarHBondContact O-N 3.1Å; G230-T470 VanDerWaalsContact CA-CG2 3.48Å
231	Q	83.3	Confident	84	Confident	57 Å²	57	14.5 Å²	14.5	27%	0.266	8%	0.079	S	C	.	.	S	Bend	trans	-65.6	-30.8	169.7	-68.5	-175.3	7.8	0	0	111.7	D226 S229 P233 T466	D226-Q231 HydrophobicContact CB-CB 4.35Å; D226-Q231 PolarHBondContact O-N 2.64Å; S229-Q231 VanDerWaalsContact C-N 3.33Å; S229-Q231 WeakPolarHBondContact OG-CG 3.33Å; Q231-P233 VanDerWaalsContact C-CD 3.41Å; Q231-P233 WeakPolarHBondContact O-CD 3.46Å; Q231-T466 HydrophobicContact CG-CG2 4.05Å
232	L	85.4	Confident	83.8	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.078	C	C	.	.	S	Bend	trans	-113.6	76.6	176.5	-170.3	55.6	0	0	0	111	V223 D226 I227 L310 L312 Y313	V223-L232 HydrophobicContact CG1-CD2 3.9Å; D226-L232 HydrophobicContact CB-CB 3.75Å; D226-L232 HydrophobicContact CB-CD2 4.46Å; D226-L232 PolarHBondContact O-N 3.11Å; I227-L232 HydrophobicContact CG1-CB 4.12Å; I227-L232 HydrophobicContact CG1-CD2 3.99Å; I227-L232 HydrophobicContact CG1-CG 4.18Å; L232-L310 HydrophobicContact CD1-CB 3.63Å; L232-L310 HydrophobicContact CD1-CD1 4Å; L232-L310 HydrophobicContact CD1-CG 4.47Å; L232-L310 HydrophobicContact CD2-CD1 3.87Å; L232-L310 HydrophobicContact CG-CB 4.28Å; L232-L310 HydrophobicContact CG-CD1 3.68Å; L232-L312 HydrophobicContact CD1-CB 4.03Å; L232-Y313 VanDerWaalsContact CD1-N 3.31Å; L232-Y313 HydrophobicContact CD2-CD2 4.36Å
233	P	75.6	Confident	83.6	Confident	16 Å²	16	14.3 Å²	14.3	10%	0.104	8%	0.078	C	C	.	.			trans	-67.7	139.1	176.5	29.9	-35.5	0	0	0	110.8	Q231 L312 F469	Q231-P233 VanDerWaalsContact C-CD 3.41Å; Q231-P233 WeakPolarHBondContact O-CD 3.46Å; P233-L312 HydrophobicContact CG-CD1 3.74Å; P233-F469 HydrophobicContact CG-CB 4.22Å; P233-F469 HydrophobicContact CG-CG 4.47Å
234	C	74.5	Confident	83.5	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.			trans	-144.5	168.2	175	67	0	0	0	0	110.8	T238 Y239 L310 Q489	C234-T238 HydrophobicContact CB-CG2 3.76Å; C234-Y239 WeakPolarHBondContact O-CD2 3.43Å; C234-Y239 WeakPolarHBondContact O-CE2 3.25Å; C234-Y239 VanDerWaalsContact SG-CD1 3.51Å; C234-Y239 VanDerWaalsContact SG-CG 3.54Å; C234-L310 HydrophobicContact CB-CD1 3.73Å; C234-L310 HydrophobicContact CB-CD2 3.44Å; C234-L310 VanDerWaalsContact CB-CD2 3.44Å; C234-L310 HydrophobicContact CB-CG 4.26Å; C234-Q489 VanDerWaalsContact O-CB 3.26Å; C234-Q489 WeakPolarHBondContact O-CB 3.48Å; C234-Q489 WeakPolarHBondContact O-CG 3.28Å; C234-Q489 PolarHBondContact O-NE2 3.14Å; C234-Q489 PolarHBondContact O-OE1 2.85Å
235	S	71.8	Confident	83.5	Confident	19 Å²	19	14.9 Å²	14.9	13%	0.133	8%	0.08	C	C	.	.			trans	-64.9	155	-178.7	68.8	0	0	0	0	112.4	V237 T238 Y239 Q489	S235-V237 PolarHBondContact O-N 3.41Å; S235-T238 CarbonylContact O-C 3.59Å; S235-T238 WeakPolarHBondContact O-CA 3.43Å; S235-T238 WeakPolarHBondContact O-CB 3.35Å; S235-T238 PolarHBondContact O-N 3.46Å; S235-T238 WeakPolarHBondContact OG-CB 3.32Å; S235-T238 PolarHBondContact OG-N 3.41Å; S235-T238 VanDerWaalsContact OG-N 3.15Å; S235-T238 PolarHBondContact OG-OG1 2.8Å; S235-Y239 WeakPolarHBondContact O-CD2 3.31Å; S235-Y239 PolarHBondContact O-N 3.09Å; S235-Q489 VanDerWaalsContact CA-OE1 3.23Å
236	F	77.4	Confident	83.6	Confident	62 Å²	62	15 Å²	15	27%	0.272	8%	0.081	S	C	.	.	H	α-helix	trans	-46.2	-47.2	171.5	175.5	-91.1	0	0	0	110.9	T238 Y239 C240 E279 M280	F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.13Å; F236-Y239 WeakPolarHBondContact O-CB 3.12Å; F236-Y239 PolarHBondContact O-N 3.33Å; F236-C240 PolarHBondContact O-N 2.67Å; F236-C240 PolarHBondContact O-SG 2.83Å; F236-E279 HydrophobicContact CZ-CG 4.09Å; F236-M280 HydrophobicContact CD2-CB 4.46Å; F236-M280 HydrophobicContact CD2-CE 3.68Å; F236-M280 HydrophobicContact CE2-CB 3.62Å; F236-M280 HydrophobicContact CE2-CE 4.01Å; F236-M280 HydrophobicContact CE2-CG 4.28Å; F236-M280 HydrophobicContact CG-CE 4.49Å; F236-M280 HydrophobicContact CZ-CB 4.02Å
237	V	72	Confident	83.7	Confident	57 Å²	57	14.6 Å²	14.6	35%	0.345	8%	0.079	S	C	.	.	H	α-helix	trans	-59.7	-43.3	175.7	177.8	0	0	0	0	111.5	S235 C240 I241	S235-V237 PolarHBondContact O-N 3.41Å; V237-C240 WeakPolarHBondContact O-CB 3.39Å; V237-C240 PolarHBondContact O-N 3.13Å; V237-I241 HydrophobicContact CG1-CD1 3.77Å; V237-I241 HydrophobicContact CG1-CG1 4.46Å; V237-I241 WeakPolarHBondContact O-CG1 3.12Å; V237-I241 PolarHBondContact O-N 3.01Å
238	T	76.2	Confident	83.9	Confident	5 Å²	5	14.5 Å²	14.5	3%	0.031	8%	0.078	C	C	.	.	H	α-helix	trans	-68.7	-38.2	179.3	-52	0	0	0	0	111.9	C234 S235 F236 C240 I241 L242 L310 Q491	C234-T238 HydrophobicContact CB-CG2 3.76Å; S235-T238 CarbonylContact O-C 3.59Å; S235-T238 WeakPolarHBondContact O-CA 3.43Å; S235-T238 WeakPolarHBondContact O-CB 3.35Å; S235-T238 PolarHBondContact O-N 3.46Å; S235-T238 WeakPolarHBondContact OG-CB 3.32Å; S235-T238 PolarHBondContact OG-N 3.41Å; S235-T238 VanDerWaalsContact OG-N 3.15Å; S235-T238 PolarHBondContact OG-OG1 2.8Å; F236-T238 VanDerWaalsContact C-N 3.33Å; F236-T238 PolarHBondContact O-N 3.13Å; T238-C240 VanDerWaalsContact C-N 3.29Å; T238-C240 PolarHBondContact O-N 3Å; T238-I241 PolarHBondContact O-N 3.39Å; T238-L242 HydrophobicContact CG2-CD1 3.8Å; T238-L242 HydrophobicContact CG2-CG 3.97Å; T238-L242 VanDerWaalsContact O-CB 3.29Å; T238-L242 WeakPolarHBondContact O-CB 3.39Å; T238-L242 VanDerWaalsContact O-CG 3.24Å; T238-L242 WeakPolarHBondContact O-CG 3.43Å; T238-L242 PolarHBondContact O-N 2.88Å; T238-L310 HydrophobicContact CG2-CD2 4.07Å; T238-Q491 WeakPolarHBondContact OG1-CG 3.5Å
239	Y	83.6	Confident	84	Confident	3 Å²	3	13.8 Å²	13.8	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-58	-43.3	169.6	-76.3	-67.8	0	0	0	111.1	I227 C234 S235 F236 G243 F270 A271 P272 L275 M280	I227-Y239 HydrophobicContact CG2-CD1 3.71Å; I227-Y239 HydrophobicContact CG2-CE1 3.4Å; I227-Y239 VanDerWaalsContact CG2-CE1 3.4Å; C234-Y239 WeakPolarHBondContact O-CD2 3.43Å; C234-Y239 WeakPolarHBondContact O-CE2 3.25Å; C234-Y239 VanDerWaalsContact SG-CD1 3.51Å; C234-Y239 VanDerWaalsContact SG-CG 3.54Å; S235-Y239 WeakPolarHBondContact O-CD2 3.31Å; S235-Y239 PolarHBondContact O-N 3.09Å; F236-Y239 WeakPolarHBondContact O-CB 3.12Å; F236-Y239 PolarHBondContact O-N 3.33Å; Y239-G243 WeakPolarHBondContact O-CA 3.41Å; Y239-G243 PolarHBondContact O-N 2.9Å; Y239-F270 WeakPolarHBondContact CD1-O 3.39Å; Y239-A271 HydrophobicContact CD1-CB 3.55Å; Y239-A271 HydrophobicContact CD2-CB 4.45Å; Y239-A271 HydrophobicContact CE1-CB 3.64Å; Y239-A271 HydrophobicContact CG-CB 3.99Å; Y239-P272 WeakPolarHBondContact OH-CD 3.46Å; Y239-L275 HydrophobicContact CE2-CD1 4.06Å; Y239-M280 HydrophobicContact CD2-CE 3.96Å; Y239-M280 HydrophobicContact CG-CE 3.93Å
240	C	82.7	Confident	84.2	Confident	2 Å²	2	13 Å²	13	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-62.9	-43.8	177.6	-65.3	0	0	0	0	112.1	F236 V237 T238 S244 R283 I284 L287	F236-C240 PolarHBondContact O-N 2.67Å; F236-C240 PolarHBondContact O-SG 2.83Å; V237-C240 WeakPolarHBondContact O-CB 3.39Å; V237-C240 PolarHBondContact O-N 3.13Å; T238-C240 VanDerWaalsContact C-N 3.29Å; T238-C240 PolarHBondContact O-N 3Å; C240-S244 WeakPolarHBondContact O-CB 3.35Å; C240-S244 PolarHBondContact O-N 2.65Å; C240-R283 HydrophobicContact CB-CB 4.42Å; C240-I284 HydrophobicContact CB-CG1 4.2Å; C240-I284 WeakPolarHBondContact O-CG1 3.19Å; C240-L287 HydrophobicContact CB-CD1 3.82Å; C240-L287 WeakPolarHBondContact O-CD1 3.14Å
241	I	81.4	Confident	84.6	Confident	14 Å²	14	13.3 Å²	13.3	7%	0.072	7%	0.07	C	C	.	.	H	α-helix	trans	-70.1	-49.1	-179.1	-63.9	166.7	0	0	0	111.4	V237 T238 G243 S244 Y245 L287 M502	V237-I241 HydrophobicContact CG1-CD1 3.77Å; V237-I241 HydrophobicContact CG1-CG1 4.46Å; V237-I241 WeakPolarHBondContact O-CG1 3.12Å; V237-I241 PolarHBondContact O-N 3.01Å; T238-I241 PolarHBondContact O-N 3.39Å; I241-G243 VanDerWaalsContact C-N 3.28Å; I241-G243 PolarHBondContact O-N 2.56Å; I241-S244 PolarHBondContact O-N 3.2Å; I241-S244 VanDerWaalsContact O-N 3.11Å; I241-S244 PolarHBondContact O-OG 2.86Å; I241-Y245 HydrophobicContact CG2-CD2 4.05Å; I241-Y245 HydrophobicContact CG2-CE2 3.4Å; I241-Y245 WeakPolarHBondContact O-CD2 3.33Å; I241-Y245 PolarHBondContact O-N 3.45Å; I241-Y245 VanDerWaalsContact O-N 3.12Å; I241-L287 HydrophobicContact CG1-CD1 3.86Å; I241-M502 HydrophobicContact CB-CE 3.91Å; I241-M502 HydrophobicContact CD1-CE 3.57Å; I241-M502 HydrophobicContact CD1-SD 3.63Å; I241-M502 HydrophobicContact CG1-CE 4.29Å; I241-M502 HydrophobicContact CG2-CE 3.29Å; I241-M502 HydrophobicContact CG2-SD 4.2Å
242	L	89.6	Confident	84.8	Confident	2 Å²	2	11.3 Å²	11.3	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-60.3	-41.3	175.3	-67	-177.9	0	0	0	111.1	I227 T238 S244 Y245 I246 F303 N306 A307 L310	I227-L242 HydrophobicContact CD1-CD1 3.61Å; T238-L242 HydrophobicContact CG2-CD1 3.8Å; T238-L242 HydrophobicContact CG2-CG 3.97Å; T238-L242 VanDerWaalsContact O-CB 3.29Å; T238-L242 WeakPolarHBondContact O-CB 3.39Å; T238-L242 VanDerWaalsContact O-CG 3.24Å; T238-L242 WeakPolarHBondContact O-CG 3.43Å; T238-L242 PolarHBondContact O-N 2.88Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.2Å; L242-Y245 PolarHBondContact O-N 3.06Å; L242-I246 WeakPolarHBondContact O-CG1 3.47Å; L242-I246 PolarHBondContact O-N 2.86Å; L242-F303 HydrophobicContact CB-CD2 3.94Å; L242-F303 HydrophobicContact CB-CE2 3.77Å; L242-F303 HydrophobicContact CD2-CD2 3.76Å; L242-F303 HydrophobicContact CD2-CE2 4.05Å; L242-F303 HydrophobicContact CD2-CG 4.32Å; L242-F303 WeakPolarHBondContact CD2-O 3.36Å; L242-F303 HydrophobicContact CG-CD2 4.39Å; L242-F303 HydrophobicContact CG-CE2 4.32Å; L242-N306 HydrophobicContact CD2-CB 3.71Å; L242-A307 HydrophobicContact CD1-CB 4.5Å; L242-A307 HydrophobicContact CD2-CB 4.34Å; L242-L310 HydrophobicContact CD1-CD1 4.13Å
243	G	91.8	Very high	84.9	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-58.8	-42.7	173.1	0	0	0	0	0	112.5	Y239 I241 Y245 I246 V247	Y239-G243 WeakPolarHBondContact O-CA 3.41Å; Y239-G243 PolarHBondContact O-N 2.9Å; I241-G243 VanDerWaalsContact C-N 3.28Å; I241-G243 PolarHBondContact O-N 2.56Å; G243-Y245 PolarHBondContact O-N 2.79Å; G243-I246 WeakPolarHBondContact O-CB 3.19Å; G243-I246 PolarHBondContact O-N 3.09Å; G243-V247 VanDerWaalsContact O-CG2 3.3Å; G243-V247 WeakPolarHBondContact O-CG2 3.41Å; G243-V247 PolarHBondContact O-N 3.47Å
244	S	92.6	Very high	85.5	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.2	-36.1	178.4	74.6	0	0	0	0	113.6	C240 I241 L242 V247 Q248 H291	C240-S244 WeakPolarHBondContact O-CB 3.35Å; C240-S244 PolarHBondContact O-N 2.65Å; I241-S244 PolarHBondContact O-N 3.2Å; I241-S244 VanDerWaalsContact O-N 3.11Å; I241-S244 PolarHBondContact O-OG 2.86Å; L242-S244 VanDerWaalsContact C-N 3.33Å; L242-S244 PolarHBondContact O-N 3.2Å; S244-V247 PolarHBondContact O-N 3.26Å; S244-Q248 WeakPolarHBondContact O-CB 3.35Å; S244-Q248 PolarHBondContact O-N 3.34Å; S244-H291 PolarHBondContact OG-NE2 3.31Å
245	Y	93.6	Very high	86.1	Confident	17 Å²	17	17.2 Å²	17.2	7%	0.067	10%	0.095	C	C	.	.	H	α-helix	trans	-70.5	-38.3	173.3	-64.4	-48	0	0	0	112.1	I241 L242 G243 V247 Q248 S249 H291 L302 F303 N306	I241-Y245 HydrophobicContact CG2-CD2 4.05Å; I241-Y245 HydrophobicContact CG2-CE2 3.4Å; I241-Y245 WeakPolarHBondContact O-CD2 3.33Å; I241-Y245 PolarHBondContact O-N 3.45Å; I241-Y245 VanDerWaalsContact O-N 3.12Å; L242-Y245 PolarHBondContact O-N 3.06Å; G243-Y245 PolarHBondContact O-N 2.79Å; Y245-V247 VanDerWaalsContact C-N 3.32Å; Y245-V247 PolarHBondContact O-N 2.87Å; Y245-Q248 PolarHBondContact O-N 2.99Å; Y245-S249 VanDerWaalsContact O-CB 3.26Å; Y245-S249 WeakPolarHBondContact O-CB 3.35Å; Y245-S249 PolarHBondContact O-N 3.06Å; Y245-H291 AromaticContact CD1-NE2 3.8Å; Y245-H291 AromaticContact CE1-CE1 3.39Å; Y245-H291 WeakPolarHBondContact CE1-CE1 3.23Å; Y245-H291 AromaticContact CE1-ND1 3.88Å; Y245-H291 AromaticContact CE1-NE2 3.6Å; Y245-L302 HydrophobicContact CD1-CB 3.91Å; Y245-L302 HydrophobicContact CD1-CD1 4.26Å; Y245-L302 HydrophobicContact CD2-CB 4.23Å; Y245-L302 HydrophobicContact CE1-CB 3.67Å; Y245-L302 HydrophobicContact CE1-CD1 3.67Å; Y245-L302 HydrophobicContact CE1-CG 4.24Å; Y245-L302 HydrophobicContact CE2-CB 3.99Å; Y245-L302 HydrophobicContact CG-CB 4.19Å; Y245-F303 HydrophobicContact CD2-CB 4.37Å; Y245-F303 HydrophobicContact CG-CB 4.47Å; Y245-N306 VanDerWaalsContact CE2-ND2 3.34Å; Y245-N306 WeakPolarHBondContact CE2-ND2 3.32Å
246	I	94.2	Very high	86.7	Confident	11 Å²	11	21 Å²	21	6%	0.056	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-48.7	172.3	-70.7	163.9	0	0	0	109.4	R224 L242 G243 S249 E250 H268 F270 F303	R224-I246 HydrophobicContact CG-CD1 3.92Å; L242-I246 WeakPolarHBondContact O-CG1 3.47Å; L242-I246 PolarHBondContact O-N 2.86Å; G243-I246 WeakPolarHBondContact O-CB 3.19Å; G243-I246 PolarHBondContact O-N 3.09Å; I246-S249 PolarHBondContact O-N 2.88Å; I246-E250 HydrophobicContact CG2-CG 4.22Å; I246-E250 WeakPolarHBondContact O-CB 3.33Å; I246-E250 WeakPolarHBondContact O-CG 3.16Å; I246-E250 PolarHBondContact O-N 2.79Å; I246-H268 WeakPolarHBondContact CG2-CE1 3.36Å; I246-F270 HydrophobicContact CB-CD1 4.43Å; I246-F270 HydrophobicContact CB-CE1 4.15Å; I246-F270 HydrophobicContact CD1-CD1 4.22Å; I246-F270 HydrophobicContact CG2-CD1 4.35Å; I246-F270 HydrophobicContact CG2-CE1 3.86Å; I246-F303 HydrophobicContact CD1-CD2 4.22Å; I246-F303 HydrophobicContact CD1-CE2 3.57Å; I246-F303 HydrophobicContact CD1-CZ 4.32Å; I246-F303 HydrophobicContact CG1-CD2 3.83Å; I246-F303 HydrophobicContact CG1-CE2 3.66Å; I246-F303 HydrophobicContact CG1-CZ 4.49Å
247	V	93.3	Very high	87	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-48.3	179.5	178.5	0	0	0	0	110.9	G243 S244 Y245 S249 E250 A251 Y264 I265 F270 I284 H288	G243-V247 VanDerWaalsContact O-CG2 3.3Å; G243-V247 WeakPolarHBondContact O-CG2 3.41Å; G243-V247 PolarHBondContact O-N 3.47Å; S244-V247 PolarHBondContact O-N 3.26Å; Y245-V247 VanDerWaalsContact C-N 3.32Å; Y245-V247 PolarHBondContact O-N 2.87Å; V247-S249 VanDerWaalsContact C-N 3.28Å; V247-S249 PolarHBondContact O-N 3.24Å; V247-E250 PolarHBondContact O-N 2.81Å; V247-A251 HydrophobicContact CG1-CB 4.26Å; V247-A251 WeakPolarHBondContact O-CB 3.5Å; V247-A251 PolarHBondContact O-N 3Å; V247-Y264 HydrophobicContact CG1-CE2 3.64Å; V247-I265 HydrophobicContact CG1-CG2 3.96Å; V247-I265 HydrophobicContact CG2-CB 4.48Å; V247-I265 HydrophobicContact CG2-CG2 3.66Å; V247-F270 HydrophobicContact CG2-CE1 3.64Å; V247-F270 HydrophobicContact CG2-CZ 3.45Å; V247-F270 VanDerWaalsContact CG2-CZ 3.45Å; V247-I284 HydrophobicContact CG2-CG2 3.75Å; V247-H288 HydrophobicContact CG1-CB 4.28Å; V247-H288 VanDerWaalsContact CG1-CE1 3.48Å; V247-H288 WeakPolarHBondContact CG1-CE1 3.22Å; V247-H288 VanDerWaalsContact CG1-ND1 3.33Å; V247-H288 WeakPolarHBondContact CG1-ND1 3.45Å
248	Q	92.6	Very high	87.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57	-42.3	177.2	-178.5	66.5	29.9	0	0	111.8	S244 Y245 G252 D253 H288 H291 K294 A299	S244-Q248 WeakPolarHBondContact O-CB 3.35Å; S244-Q248 PolarHBondContact O-N 3.34Å; Y245-Q248 PolarHBondContact O-N 2.99Å; Q248-G252 WeakPolarHBondContact O-CA 3.24Å; Q248-G252 PolarHBondContact O-N 2.84Å; Q248-D253 PolarHBondContact NE2-OD1 2.79Å; Q248-H288 PolarHBondContact OE1-CD2 2.99Å; Q248-H288 VanDerWaalsContact OE1-CD2 3.26Å; Q248-H288 PolarHBondContact OE1-NE2 2.89Å; Q248-H291 HydrophobicContact CB-CB 4.14Å; Q248-H291 HydrophobicContact CG-CB 3.81Å; Q248-H291 PolarHBondContact NE2-O 2.84Å; Q248-H291 PolarHBondContact OE1-O 2.87Å; Q248-K294 HydrophobicContact CG-CB 4.13Å; Q248-K294 PolarHBondContact NE2-O 2.74Å; Q248-A299 HydrophobicContact CB-CB 4.17Å; Q248-A299 HydrophobicContact CG-CB 3.99Å
249	S	91.8	Very high	88	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-73.7	-28.9	-177.9	-169	0	0	0	0	113.5	K50 Y245 I246 V247 P296 D300	K50-S249 WeakPolarHBondContact CE-OG 3.03Å; K50-S249 PolarHBondContact NZ-OG 2.83Å; Y245-S249 VanDerWaalsContact O-CB 3.26Å; Y245-S249 WeakPolarHBondContact O-CB 3.35Å; Y245-S249 PolarHBondContact O-N 3.06Å; I246-S249 PolarHBondContact O-N 2.88Å; V247-S249 VanDerWaalsContact C-N 3.28Å; V247-S249 PolarHBondContact O-N 3.24Å; S249-P296 PolarHBondContact OG-O 3.1Å; S249-D300 WeakPolarHBondContact CB-OD1 3.35Å; S249-D300 VanDerWaalsContact OG-CG 3.31Å; S249-D300 PolarHBondContact OG-OD1 3.34Å; S249-D300 PolarHBondContact OG-OD2 3.22Å
250	E	87.2	Confident	88.1	Confident	5 Å²	5	28 Å²	28	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-93.3	-41	-178	-63.8	-70.2	150.9	0	0	113.1	K50 I246 V247 R451 L453 S454	K50-E250 WeakPolarHBondContact CD-OE1 3.2Å; K50-E250 IonicContact NZ-OE1 2.86Å; K50-E250 PolarHBondContact NZ-OE1 2.83Å; I246-E250 HydrophobicContact CG2-CG 4.22Å; I246-E250 WeakPolarHBondContact O-CB 3.33Å; I246-E250 WeakPolarHBondContact O-CG 3.16Å; I246-E250 PolarHBondContact O-N 2.79Å; V247-E250 PolarHBondContact O-N 2.81Å; E250-R451 WeakPolarHBondContact O-CD 3.45Å; E250-L453 HydrophobicContact CB-CD2 3.75Å; E250-S454 VanDerWaalsContact CD-OG 3.3Å; E250-S454 WeakPolarHBondContact OE2-CB 3.43Å; E250-S454 PolarHBondContact OE2-N 3.06Å; E250-S454 PolarHBondContact OE2-OG 3.13Å
251	A	86.1	Confident	88.2	Confident	7 Å²	7	30.1 Å²	30.1	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-100.3	-12.7	-175.3	0	0	0	0	0	113.7	V247 L453	V247-A251 HydrophobicContact CG1-CB 4.26Å; V247-A251 WeakPolarHBondContact O-CB 3.5Å; V247-A251 PolarHBondContact O-N 3Å; A251-L453 HydrophobicContact CB-CD2 4.29Å; A251-L453 HydrophobicContact CB-CG 4.43Å
252	G	87.4	Confident	88.7	Confident	16 Å²	16	31.9 Å²	31.9	17%	0.165	19%	0.192	C	C	.	.			trans	72.8	-158.2	-172	0	0	0	0	0	111.7	Q248 H288	Q248-G252 WeakPolarHBondContact O-CA 3.24Å; Q248-G252 PolarHBondContact O-N 2.84Å; G252-H288 PolarHBondContact O-NE2 3.04Å
253	D	88.6	Confident	88.6	Confident	63 Å²	63	39.3 Å²	39.3	34%	0.337	22%	0.224	S	C	.	.	S	Bend	trans	-61.5	146.1	-178.4	-79	-5.7	0	0	0	113.9	Q248 D255 H259 R292 G293	Q248-D253 PolarHBondContact NE2-OD1 2.79Å; D253-D255 PolarHBondContact O-N 3.21Å; D253-H259 PolarHBondContact O-CE1 2.89Å; D253-R292 HydrophobicContact CB-CG 4.3Å; D253-R292 WeakPolarHBondContact OD1-CA 3.47Å; D253-R292 VanDerWaalsContact OD2-CG 3.27Å; D253-R292 WeakPolarHBondContact OD2-CG 3.21Å; D253-G293 VanDerWaalsContact CG-N 3.28Å; D253-G293 PolarHBondContact OD1-N 2.87Å; D253-G293 PolarHBondContact OD2-N 2.78Å
254	H	87.7	Confident	88.5	Confident	30 Å²	30	40.9 Å²	40.9	14%	0.139	23%	0.23	C	C	.	.			trans	-63.6	102.3	174.3	-180	-71.2	0	0	0	112.6	H259 H288 K289	H254-H259 WeakPolarHBondContact CA-ND1 3.46Å; H254-H259 PolarHBondContact NE2-O 3.35Å; H254-H288 AromaticContact CD2-ND1 3.93Å; H254-K289 HydrophobicContact CB-CG 4.12Å; H254-K289 VanDerWaalsContact CD2-CG 3.45Å; H254-K289 WeakPolarHBondContact CD2-CG 3.3Å; H254-K289 VanDerWaalsContact NE2-CE 3.29Å; H254-K289 WeakPolarHBondContact NE2-CE 3.3Å
255	D	86.8	Confident	88.5	Confident	48 Å²	48	40.9 Å²	40.9	26%	0.257	23%	0.23	S	C	.	.			trans	-88.9	115	166.5	-177	-10.3	0	0	0	112.3	D253 S257 Q258 H259	D253-D255 PolarHBondContact O-N 3.21Å; D255-S257 PolarHBondContact O-N 2.79Å; D255-S257 VanDerWaalsContact O-N 3.11Å; D255-S257 WeakPolarHBondContact OD1-CB 3.2Å; D255-S257 PolarHBondContact OD1-N 3.22Å; D255-S257 PolarHBondContact OD1-OG 3.32Å; D255-S257 PolarHBondContact OD2-OG 3.38Å; D255-Q258 HydrophobicContact CB-CB 4.41Å; D255-Q258 HydrophobicContact CB-CG 4.45Å; D255-Q258 PolarHBondContact O-N 3.32Å; D255-Q258 VanDerWaalsContact O-N 3.12Å; D255-Q258 WeakPolarHBondContact OD2-CG 3.45Å; D255-Q258 PolarHBondContact OD2-NE2 2.72Å; D255-Q258 VanDerWaalsContact OD2-NE2 3.13Å; D255-H259 PolarHBondContact N-ND1 3.37Å; D255-H259 VanDerWaalsContact O-CB 3.28Å; D255-H259 WeakPolarHBondContact O-CB 3.23Å; D255-H259 PolarHBondContact O-N 3.38Å
256	P	84.2	Confident	88.1	Confident	98 Å²	98	44.5 Å²	44.5	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.4	177.3	-23.3	33.9	0	0	0	115.3
257	S	83.7	Confident	87.6	Confident	84 Å²	84	50.8 Å²	50.8	59%	0.587	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.3	179.5	72.8	0	0	0	0	113.1	D255	D255-S257 PolarHBondContact O-N 2.79Å; D255-S257 VanDerWaalsContact O-N 3.11Å; D255-S257 WeakPolarHBondContact OD1-CB 3.2Å; D255-S257 PolarHBondContact OD1-N 3.22Å; D255-S257 PolarHBondContact OD1-OG 3.32Å; D255-S257 PolarHBondContact OD2-OG 3.38Å
258	Q	80.8	Confident	87.4	Confident	63 Å²	63	51.4 Å²	51.4	29%	0.294	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-31.3	-176.5	-51.8	-167.9	40.9	0	0	112.2	D255 I260 Q448 S450	D255-Q258 HydrophobicContact CB-CB 4.41Å; D255-Q258 HydrophobicContact CB-CG 4.45Å; D255-Q258 PolarHBondContact O-N 3.32Å; D255-Q258 VanDerWaalsContact O-N 3.12Å; D255-Q258 WeakPolarHBondContact OD2-CG 3.45Å; D255-Q258 PolarHBondContact OD2-NE2 2.72Å; D255-Q258 VanDerWaalsContact OD2-NE2 3.13Å; Q258-I260 PolarHBondContact O-N 3.21Å; Q258-Q448 PolarHBondContact NE2-O 3.37Å; Q258-S450 VanDerWaalsContact OE1-N 3.11Å; Q258-S450 PolarHBondContact OE1-OG 3.38Å
259	H	89	Confident	87.2	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.06	29%	0.29	C	S	.	.			trans	-100.6	68	-176.2	-58.1	142.7	0	0	0	111.7	D253 H254 D255 Y264 H288	D253-H259 PolarHBondContact O-CE1 2.89Å; H254-H259 WeakPolarHBondContact CA-ND1 3.46Å; H254-H259 PolarHBondContact NE2-O 3.35Å; D255-H259 PolarHBondContact N-ND1 3.37Å; D255-H259 VanDerWaalsContact O-CB 3.28Å; D255-H259 WeakPolarHBondContact O-CB 3.23Å; D255-H259 PolarHBondContact O-N 3.38Å; H259-Y264 HydrophobicContact CB-CD1 3.87Å; H259-Y264 HydrophobicContact CB-CD2 4.2Å; H259-Y264 HydrophobicContact CB-CE1 3.71Å; H259-Y264 HydrophobicContact CB-CE2 4.03Å; H259-Y264 HydrophobicContact CB-CG 4.13Å; H259-Y264 AromaticContact CD2-CD2 3.27Å; H259-Y264 WeakPolarHBondContact CD2-CD2 3.21Å; H259-Y264 AromaticContact CD2-CE2 3.6Å; H259-Y264 AromaticContact CD2-CG 3.69Å; H259-Y264 AromaticContact CG-CD2 3.86Å; H259-Y264 AromaticContact CG-CE2 3.77Å; H259-Y264 AromaticContact NE2-CD2 3.99Å; H259-H288 AromaticContact ND1-CE1 3.9Å
260	I	84.3	Confident	87.2	Confident	115 Å²	115	52.5 Å²	52.5	59%	0.59	29%	0.291	S	S	*	.			trans	-88.4	114.9	-177.8	-56.3	174.6	0	0	0	110.9	Q258	Q258-I260 PolarHBondContact O-N 3.21Å
261	G	86.4	Confident	87.1	Confident	46 Å²	46	52.2 Å²	52.2	47%	0.474	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-144.9	178	0	0	0	0	0	111.9	Y264 V285	G261-Y264 WeakPolarHBondContact O-CD1 3.21Å; G261-Y264 WeakPolarHBondContact O-CE1 3.45Å; G261-V285 WeakPolarHBondContact O-CG2 3.41Å
262	I	90.2	Very high	87	Confident	51 Å²	51	52.3 Å²	52.3	26%	0.262	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.7	179.1	64.1	172.8	0	0	0	113.9	Y264 I265 Q266 P278 L281 V285	I262-Y264 VanDerWaalsContact C-N 3.32Å; I262-Y264 PolarHBondContact O-N 2.6Å; I262-I265 VanDerWaalsContact O-CG1 3.3Å; I262-I265 WeakPolarHBondContact O-CG1 3.42Å; I262-I265 PolarHBondContact O-N 2.66Å; I262-I265 VanDerWaalsContact O-N 3.07Å; I262-Q266 PolarHBondContact O-N 2.86Å; I262-P278 HydrophobicContact CD1-CB 4.07Å; I262-L281 HydrophobicContact CB-CB 3.89Å; I262-L281 HydrophobicContact CB-CD1 4.48Å; I262-L281 HydrophobicContact CD1-CB 4.36Å; I262-L281 HydrophobicContact CD1-CD1 4.15Å; I262-L281 HydrophobicContact CG2-CB 3.71Å; I262-V285 HydrophobicContact CG2-CG2 4.23Å
263	K	87.7	Confident	86.7	Confident	158 Å²	158	59.1 Å²	59.1	69%	0.687	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.5	-38.3	-168.6	-72.4	-175.2	178.1	-179.9	0	113.2	I265 Q266	K263-I265 PolarHBondContact O-N 2.87Å; K263-Q266 VanDerWaalsContact O-CG 3.3Å; K263-Q266 WeakPolarHBondContact O-CG 3.37Å; K263-Q266 PolarHBondContact O-N 3.42Å
264	Y	90.2	Very high	86.1	Confident	34 Å²	34	61.4 Å²	61.4	13%	0.133	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-69.9	-18.3	-178.5	75.5	-76.3	0	0	0	113.1	V247 H259 G261 I262 V285 H288 L453	V247-Y264 HydrophobicContact CG1-CE2 3.64Å; H259-Y264 HydrophobicContact CB-CD1 3.87Å; H259-Y264 HydrophobicContact CB-CD2 4.2Å; H259-Y264 HydrophobicContact CB-CE1 3.71Å; H259-Y264 HydrophobicContact CB-CE2 4.03Å; H259-Y264 HydrophobicContact CB-CG 4.13Å; H259-Y264 AromaticContact CD2-CD2 3.27Å; H259-Y264 WeakPolarHBondContact CD2-CD2 3.21Å; H259-Y264 AromaticContact CD2-CE2 3.6Å; H259-Y264 AromaticContact CD2-CG 3.69Å; H259-Y264 AromaticContact CG-CD2 3.86Å; H259-Y264 AromaticContact CG-CE2 3.77Å; H259-Y264 AromaticContact NE2-CD2 3.99Å; G261-Y264 WeakPolarHBondContact O-CD1 3.21Å; G261-Y264 WeakPolarHBondContact O-CE1 3.45Å; I262-Y264 VanDerWaalsContact C-N 3.32Å; I262-Y264 PolarHBondContact O-N 2.6Å; Y264-V285 HydrophobicContact CE1-CG1 4.19Å; Y264-V285 HydrophobicContact CE1-CG2 3.67Å; Y264-H288 AromaticContact CE2-ND1 3.77Å; Y264-H288 AromaticContact CZ-ND1 3.69Å; Y264-H288 PolarHBondContact OH-ND1 3.17Å; Y264-L453 WeakPolarHBondContact O-CD1 3.36Å
265	I	92.1	Very high	85.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-114.9	-1.1	179.6	64.5	166.5	0	0	0	113.7	V247 I262 K263 D267 H268 F270 L281 I284 V285	V247-I265 HydrophobicContact CG1-CG2 3.96Å; V247-I265 HydrophobicContact CG2-CB 4.48Å; V247-I265 HydrophobicContact CG2-CG2 3.66Å; I262-I265 VanDerWaalsContact O-CG1 3.3Å; I262-I265 WeakPolarHBondContact O-CG1 3.42Å; I262-I265 PolarHBondContact O-N 2.66Å; I262-I265 VanDerWaalsContact O-N 3.07Å; K263-I265 PolarHBondContact O-N 2.87Å; I265-D267 VanDerWaalsContact C-N 3.26Å; I265-D267 PolarHBondContact O-N 2.88Å; I265-H268 WeakPolarHBondContact O-CB 3.19Å; I265-H268 PolarHBondContact O-N 2.94Å; I265-H268 VanDerWaalsContact O-N 3.07Å; I265-F270 HydrophobicContact CB-CE2 3.87Å; I265-F270 HydrophobicContact CB-CZ 3.96Å; I265-F270 HydrophobicContact CD1-CE2 4.16Å; I265-F270 HydrophobicContact CG1-CE2 4.39Å; I265-F270 HydrophobicContact CG2-CZ 4.35Å; I265-L281 HydrophobicContact CD1-CB 4.05Å; I265-L281 HydrophobicContact CD1-CD2 3.88Å; I265-L281 WeakPolarHBondContact CD1-O 3.37Å; I265-L281 HydrophobicContact CG1-CB 4.47Å; I265-L281 HydrophobicContact CG1-CD2 4.14Å; I265-I284 HydrophobicContact CD1-CB 4Å; I265-I284 HydrophobicContact CD1-CG2 3.7Å; I265-V285 HydrophobicContact CD1-CG2 3.56Å; I265-V285 HydrophobicContact CG1-CG2 4.12Å
266	Q	86.3	Confident	85.4	Confident	93 Å²	93	61.3 Å²	61.3	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.2	-169.8	75.1	-170.9	1	0	0	113.2	I262 K263 H268	I262-Q266 PolarHBondContact O-N 2.86Å; K263-Q266 VanDerWaalsContact O-CG 3.3Å; K263-Q266 WeakPolarHBondContact O-CG 3.37Å; K263-Q266 PolarHBondContact O-N 3.42Å; Q266-H268 VanDerWaalsContact C-N 3.3Å
267	D	83.5	Confident	85.3	Confident	143 Å²	143	59 Å²	59	77%	0.765	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-1	-175.7	-61.3	-51	0	0	0	112.2	I265	I265-D267 VanDerWaalsContact C-N 3.26Å; I265-D267 PolarHBondContact O-N 2.88Å
268	H	87.8	Confident	85.1	Confident	12 Å²	12	59.5 Å²	59.5	6%	0.056	31%	0.311	C	S	.	.	S	Bend	trans	-95.1	122.4	-175.7	-153.2	-115	0	0	0	109.9	R224 I246 I265 Q266 F270 Q276	R224-H268 PolarHBondContact NH1-CE1 2.92Å; R224-H268 PolarHBondContact NH1-NE2 2.97Å; R224-H268 PolarHBondContact NH2-CD2 3.36Å; R224-H268 PolarHBondContact NH2-CE1 3.49Å; R224-H268 VanDerWaalsContact NH2-CG 3.35Å; R224-H268 PolarHBondContact NH2-ND1 2.92Å; R224-H268 PolarHBondContact NH2-NE2 3.34Å; I246-H268 WeakPolarHBondContact CG2-CE1 3.36Å; I265-H268 WeakPolarHBondContact O-CB 3.19Å; I265-H268 PolarHBondContact O-N 2.94Å; I265-H268 VanDerWaalsContact O-N 3.07Å; Q266-H268 VanDerWaalsContact C-N 3.3Å; H268-F270 HydrophobicContact CB-CE1 4.45Å; H268-F270 HydrophobicContact CB-CE2 3.83Å; H268-F270 HydrophobicContact CB-CZ 3.71Å; H268-F270 AromaticContact CG-CZ 3.92Å; H268-F270 AromaticContact ND1-CE1 3.27Å; H268-F270 VanDerWaalsContact ND1-CE1 3.27Å; H268-F270 WeakPolarHBondContact ND1-CE1 3.48Å; H268-F270 AromaticContact ND1-CZ 3.35Å; H268-F270 WeakPolarHBondContact ND1-CZ 3.16Å; H268-F270 WeakPolarHBondContact O-CD2 3.26Å; H268-F270 VanDerWaalsContact O-CE2 3.25Å; H268-F270 WeakPolarHBondContact O-CE2 3.17Å; H268-F270 PolarHBondContact O-N 3.47Å; H268-Q276 PolarHBondContact O-NE2 3.36Å
269	P	90.1	Very high	85.1	Confident	20 Å²	20	61.9 Å²	61.9	13%	0.13	32%	0.322	C	S	.	.			trans	-78.9	122.4	-178.7	30.6	-34.9	0	0	0	110	R224 V228 F456 P458	R224-P269 PolarHBondContact NE-O 3.42Å; R224-P269 PolarHBondContact NH2-O 2.97Å; V228-P269 HydrophobicContact CG1-CB 3.89Å; V228-P269 HydrophobicContact CG2-CB 3.91Å; V228-P269 HydrophobicContact CG2-CG 4.43Å; P269-F456 HydrophobicContact CG-CD1 3.65Å; P269-F456 HydrophobicContact CG-CE1 4.02Å; P269-P458 HydrophobicContact CB-CG 4.04Å; P269-P458 HydrophobicContact CG-CG 3.68Å
270	F	90.3	Very high	84.9	Confident	3 Å²	3	61.4 Å²	61.4	1%	0.013	32%	0.32	C	S	.	.			trans	-114.2	-23.2	176.5	-58.9	-70.8	0	0	0	112.7	I227 Y239 I246 V247 I265 H268 L281 I284	I227-F270 VanDerWaalsContact CG2-O 3.24Å; I227-F270 WeakPolarHBondContact CG2-O 3.48Å; Y239-F270 WeakPolarHBondContact CD1-O 3.39Å; I246-F270 HydrophobicContact CB-CD1 4.43Å; I246-F270 HydrophobicContact CB-CE1 4.15Å; I246-F270 HydrophobicContact CD1-CD1 4.22Å; I246-F270 HydrophobicContact CG2-CD1 4.35Å; I246-F270 HydrophobicContact CG2-CE1 3.86Å; V247-F270 HydrophobicContact CG2-CE1 3.64Å; V247-F270 HydrophobicContact CG2-CZ 3.45Å; V247-F270 VanDerWaalsContact CG2-CZ 3.45Å; I265-F270 HydrophobicContact CB-CE2 3.87Å; I265-F270 HydrophobicContact CB-CZ 3.96Å; I265-F270 HydrophobicContact CD1-CE2 4.16Å; I265-F270 HydrophobicContact CG1-CE2 4.39Å; I265-F270 HydrophobicContact CG2-CZ 4.35Å; H268-F270 HydrophobicContact CB-CE1 4.45Å; H268-F270 HydrophobicContact CB-CE2 3.83Å; H268-F270 HydrophobicContact CB-CZ 3.71Å; H268-F270 AromaticContact CG-CZ 3.92Å; H268-F270 AromaticContact ND1-CE1 3.27Å; H268-F270 VanDerWaalsContact ND1-CE1 3.27Å; H268-F270 WeakPolarHBondContact ND1-CE1 3.48Å; H268-F270 AromaticContact ND1-CZ 3.35Å; H268-F270 WeakPolarHBondContact ND1-CZ 3.16Å; H268-F270 WeakPolarHBondContact O-CD2 3.26Å; H268-F270 VanDerWaalsContact O-CE2 3.25Å; H268-F270 WeakPolarHBondContact O-CE2 3.17Å; H268-F270 PolarHBondContact O-N 3.47Å; F270-L281 HydrophobicContact CD2-CD2 3.68Å; F270-L281 HydrophobicContact CE2-CD2 3.78Å; F270-I284 HydrophobicContact CB-CD1 3.99Å; F270-I284 HydrophobicContact CD1-CD1 4.33Å; F270-I284 HydrophobicContact CD2-CD1 3.7Å; F270-I284 HydrophobicContact CE2-CD1 4.24Å; F270-I284 HydrophobicContact CG-CD1 3.74Å
271	A	86.1	Confident	85.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-140.7	169.1	179.9	0	0	0	0	0	109.6	Y239 H273 L275 M280	Y239-A271 HydrophobicContact CD1-CB 3.55Å; Y239-A271 HydrophobicContact CD2-CB 4.45Å; Y239-A271 HydrophobicContact CE1-CB 3.64Å; Y239-A271 HydrophobicContact CG-CB 3.99Å; A271-H273 PolarHBondContact O-N 2.84Å; A271-L275 HydrophobicContact CB-CB 4.16Å; A271-M280 HydrophobicContact CB-CE 4.1Å; A271-M280 HydrophobicContact CB-SD 3.76Å
272	P	84	Confident	84.9	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.052	28%	0.283	C	S	.	.			trans	-49.9	137.3	165.9	-26.9	35.7	0	0	0	110.3	I227 V228 Y239 M274 L275 Q276 T470	I227-P272 WeakPolarHBondContact O-CD 3.44Å; V228-P272 WeakPolarHBondContact O-CA 3.36Å; Y239-P272 WeakPolarHBondContact OH-CD 3.46Å; P272-M274 PolarHBondContact O-N 2.96Å; P272-L275 HydrophobicContact CB-CD1 4.49Å; P272-L275 HydrophobicContact CG-CD1 4.25Å; P272-L275 WeakPolarHBondContact O-CA 3.49Å; P272-L275 WeakPolarHBondContact O-CB 3.39Å; P272-L275 PolarHBondContact O-N 2.88Å; P272-Q276 PolarHBondContact O-N 3.05Å; P272-T470 HydrophobicContact CG-CG2 4.27Å
273	H	80.8	Confident	84.3	Confident	159 Å²	159	56 Å²	56	74%	0.736	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-32	-169.7	73.7	-81.9	0	0	0	114.2	A271 L275	A271-H273 PolarHBondContact O-N 2.84Å; H273-L275 VanDerWaalsContact C-N 3.29Å; H273-L275 PolarHBondContact O-N 3.25Å
274	M	76.6	Confident	84.2	Confident	112 Å²	112	48.4 Å²	48.4	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.4	178.1	-56.4	-169.4	-62	0	0	114.3	P272 F471	P272-M274 PolarHBondContact O-N 2.96Å; M274-F471 HydrophobicContact CE-CB 4.09Å; M274-F471 HydrophobicContact CE-CD1 4.35Å; M274-F471 HydrophobicContact CE-CD2 3.04Å; M274-F471 HydrophobicContact CE-CE2 3.49Å; M274-F471 VanDerWaalsContact CE-CE2 3.49Å; M274-F471 HydrophobicContact CE-CG 3.53Å; M274-F471 HydrophobicContact CE-CZ 4.32Å
275	L	75.2	Confident	84.1	Confident	31 Å²	31	47.2 Å²	47.2	16%	0.162	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-14.4	179.4	-68.2	179.3	0	0	0	113.4	Y239 A271 P272 H273 T277 F471	Y239-L275 HydrophobicContact CE2-CD1 4.06Å; A271-L275 HydrophobicContact CB-CB 4.16Å; P272-L275 HydrophobicContact CB-CD1 4.49Å; P272-L275 HydrophobicContact CG-CD1 4.25Å; P272-L275 WeakPolarHBondContact O-CA 3.49Å; P272-L275 WeakPolarHBondContact O-CB 3.39Å; P272-L275 PolarHBondContact O-N 2.88Å; H273-L275 VanDerWaalsContact C-N 3.29Å; H273-L275 PolarHBondContact O-N 3.25Å; L275-T277 PolarHBondContact O-N 2.72Å; L275-T277 VanDerWaalsContact O-N 3.07Å; L275-F471 HydrophobicContact CD1-CE2 4.41Å; L275-F471 HydrophobicContact CD1-CZ 3.78Å; L275-F471 HydrophobicContact CD2-CE1 4.07Å; L275-F471 HydrophobicContact CD2-CZ 3.6Å; L275-F471 HydrophobicContact CG-CE1 4.49Å; L275-F471 HydrophobicContact CG-CE2 4.29Å; L275-F471 HydrophobicContact CG-CZ 3.55Å
276	Q	83.6	Confident	83.7	Confident	44 Å²	44	51.5 Å²	51.5	21%	0.206	27%	0.266	C	S	.	.			trans	-78.1	96.9	-178	-173.5	157	-39.3	0	0	110	H268 P272 L281	H268-Q276 PolarHBondContact O-NE2 3.36Å; P272-Q276 PolarHBondContact O-N 3.05Å; Q276-L281 HydrophobicContact CG-CD2 4.23Å; Q276-L281 HydrophobicContact CG-CG 4.46Å
277	T	82.3	Confident	83.4	Confident	50 Å²	50	47.6 Å²	47.6	31%	0.307	25%	0.247	S	C	.	.			trans	-99.8	157.4	179.8	64	0	0	0	0	111.7	L275 E279 M280 L281	L275-T277 PolarHBondContact O-N 2.72Å; L275-T277 VanDerWaalsContact O-N 3.07Å; T277-E279 PolarHBondContact O-N 2.98Å; T277-M280 WeakPolarHBondContact O-CB 3.25Å; T277-M280 PolarHBondContact O-N 3.32Å; T277-M280 VanDerWaalsContact O-N 3.13Å; T277-M280 PolarHBondContact OG1-N 3.28Å; T277-M280 VanDerWaalsContact OG1-N 3.14Å; T277-L281 PolarHBondContact O-N 3.24Å; T277-L281 VanDerWaalsContact O-N 3.08Å
278	P	80.1	Confident	83.7	Confident	95 Å²	95	40.8 Å²	40.8	62%	0.617	21%	0.211	S	C	*	.	H	α-helix	trans	-56.8	-31.5	170.8	-26	35.3	0	0	0	113.3	I262 L281 G282	I262-P278 HydrophobicContact CD1-CB 4.07Å; P278-L281 PolarHBondContact O-N 2.98Å; P278-G282 PolarHBondContact O-N 3.16Å
279	E	80.5	Confident	83.7	Confident	113 Å²	113	45.2 Å²	45.2	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-47.5	174.1	-174.2	-169.1	167	0	0	111.6	F236 T277 L281 G282 R283	F236-E279 HydrophobicContact CZ-CG 4.09Å; T277-E279 PolarHBondContact O-N 2.98Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 3.15Å; E279-G282 PolarHBondContact O-N 3.21Å; E279-R283 PolarHBondContact O-N 3.47Å
280	M	83.9	Confident	83.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-55.9	-47.9	174	-179.8	178	-76.2	0	0	110.7	F236 Y239 A271 T277 G282 R283 I284	F236-M280 HydrophobicContact CD2-CB 4.46Å; F236-M280 HydrophobicContact CD2-CE 3.68Å; F236-M280 HydrophobicContact CE2-CB 3.62Å; F236-M280 HydrophobicContact CE2-CE 4.01Å; F236-M280 HydrophobicContact CE2-CG 4.28Å; F236-M280 HydrophobicContact CG-CE 4.49Å; F236-M280 HydrophobicContact CZ-CB 4.02Å; Y239-M280 HydrophobicContact CD2-CE 3.96Å; Y239-M280 HydrophobicContact CG-CE 3.93Å; A271-M280 HydrophobicContact CB-CE 4.1Å; A271-M280 HydrophobicContact CB-SD 3.76Å; T277-M280 WeakPolarHBondContact O-CB 3.25Å; T277-M280 PolarHBondContact O-N 3.32Å; T277-M280 VanDerWaalsContact O-N 3.13Å; T277-M280 PolarHBondContact OG1-N 3.28Å; T277-M280 VanDerWaalsContact OG1-N 3.14Å; M280-G282 PolarHBondContact O-N 2.91Å; M280-R283 PolarHBondContact O-N 3.48Å; M280-I284 HydrophobicContact CG-CD1 3.95Å; M280-I284 VanDerWaalsContact O-CG1 3.3Å; M280-I284 WeakPolarHBondContact O-CG1 3.37Å; M280-I284 PolarHBondContact O-N 2.72Å
281	L	88.8	Confident	83	Confident	12 Å²	12	49.1 Å²	49.1	6%	0.063	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-43.8	177.9	-63.5	178.8	0	0	0	111.3	I262 I265 F270 Q276 T277 P278 E279 R283 I284 V285	I262-L281 HydrophobicContact CB-CB 3.89Å; I262-L281 HydrophobicContact CB-CD1 4.48Å; I262-L281 HydrophobicContact CD1-CB 4.36Å; I262-L281 HydrophobicContact CD1-CD1 4.15Å; I262-L281 HydrophobicContact CG2-CB 3.71Å; I265-L281 HydrophobicContact CD1-CB 4.05Å; I265-L281 HydrophobicContact CD1-CD2 3.88Å; I265-L281 WeakPolarHBondContact CD1-O 3.37Å; I265-L281 HydrophobicContact CG1-CB 4.47Å; I265-L281 HydrophobicContact CG1-CD2 4.14Å; F270-L281 HydrophobicContact CD2-CD2 3.68Å; F270-L281 HydrophobicContact CE2-CD2 3.78Å; Q276-L281 HydrophobicContact CG-CD2 4.23Å; Q276-L281 HydrophobicContact CG-CG 4.46Å; T277-L281 PolarHBondContact O-N 3.24Å; T277-L281 VanDerWaalsContact O-N 3.08Å; P278-L281 PolarHBondContact O-N 2.98Å; E279-L281 VanDerWaalsContact C-N 3.3Å; E279-L281 PolarHBondContact O-N 3.15Å; L281-R283 VanDerWaalsContact C-N 3.28Å; L281-R283 PolarHBondContact O-N 2.85Å; L281-I284 HydrophobicContact CD2-CD1 4.42Å; L281-I284 WeakPolarHBondContact O-CB 3.47Å; L281-I284 PolarHBondContact O-N 2.92Å; L281-V285 WeakPolarHBondContact O-CG2 3.21Å; L281-V285 PolarHBondContact O-N 3.22Å
282	G	82.3	Confident	82.9	Confident	23 Å²	23	58.6 Å²	58.6	24%	0.237	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-44.6	175.6	0	0	0	0	0	111.8	P278 E279 M280 V285 E286	P278-G282 PolarHBondContact O-N 3.16Å; E279-G282 PolarHBondContact O-N 3.21Å; M280-G282 PolarHBondContact O-N 2.91Å; G282-V285 WeakPolarHBondContact O-CB 3.37Å; G282-V285 PolarHBondContact O-N 3.23Å; G282-E286 WeakPolarHBondContact O-CG 3.29Å; G282-E286 PolarHBondContact O-N 2.97Å
283	R	78.2	Confident	82.9	Confident	63 Å²	63	60.7 Å²	60.7	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-71	-34.7	-179.7	-149.3	55.3	163.4	128.1	7.4	112.8	C240 E279 M280 L281 V285 E286 L287 F507	C240-R283 HydrophobicContact CB-CB 4.42Å; E279-R283 PolarHBondContact O-N 3.47Å; M280-R283 PolarHBondContact O-N 3.48Å; L281-R283 VanDerWaalsContact C-N 3.28Å; L281-R283 PolarHBondContact O-N 2.85Å; R283-V285 VanDerWaalsContact C-N 3.35Å; R283-E286 WeakPolarHBondContact CD-OE2 3.48Å; R283-E286 IonicContact CZ-OE2 2.87Å; R283-E286 IonicContact NE-OE2 2.89Å; R283-E286 IonicContact NH1-OE2 3.77Å; R283-E286 PolarHBondContact NH1-OE2 2.92Å; R283-E286 PolarHBondContact O-N 3.44Å; R283-L287 WeakPolarHBondContact O-CB 3.48Å; R283-L287 WeakPolarHBondContact O-CG 3.26Å; R283-L287 PolarHBondContact O-N 3.04Å; R283-F507 HydrophobicContact CG-CD1 4.11Å; R283-F507 HydrophobicContact CG-CE1 3.54Å; R283-F507 VanDerWaalsContact NH1-CE1 3.27Å
284	I	86.2	Confident	83.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-44.7	169.5	-71.4	167.1	0	0	0	110.7	C240 V247 I265 F270 M280 L281 E286 L287 H288	C240-I284 HydrophobicContact CB-CG1 4.2Å; C240-I284 WeakPolarHBondContact O-CG1 3.19Å; V247-I284 HydrophobicContact CG2-CG2 3.75Å; I265-I284 HydrophobicContact CD1-CB 4Å; I265-I284 HydrophobicContact CD1-CG2 3.7Å; F270-I284 HydrophobicContact CB-CD1 3.99Å; F270-I284 HydrophobicContact CD1-CD1 4.33Å; F270-I284 HydrophobicContact CD2-CD1 3.7Å; F270-I284 HydrophobicContact CE2-CD1 4.24Å; F270-I284 HydrophobicContact CG-CD1 3.74Å; M280-I284 HydrophobicContact CG-CD1 3.95Å; M280-I284 VanDerWaalsContact O-CG1 3.3Å; M280-I284 WeakPolarHBondContact O-CG1 3.37Å; M280-I284 PolarHBondContact O-N 2.72Å; L281-I284 HydrophobicContact CD2-CD1 4.42Å; L281-I284 WeakPolarHBondContact O-CB 3.47Å; L281-I284 PolarHBondContact O-N 2.92Å; I284-E286 VanDerWaalsContact C-N 3.35Å; I284-E286 PolarHBondContact O-N 2.57Å; I284-L287 PolarHBondContact O-N 2.95Å; I284-H288 VanDerWaalsContact O-CB 3.31Å; I284-H288 WeakPolarHBondContact O-CB 3.48Å; I284-H288 PolarHBondContact O-N 3.4Å
285	V	87.9	Confident	83.7	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-41.6	178.5	173.6	0	0	0	0	111.2	G261 I262 Y264 I265 L281 G282 R283 H288 K289	G261-V285 WeakPolarHBondContact O-CG2 3.41Å; I262-V285 HydrophobicContact CG2-CG2 4.23Å; Y264-V285 HydrophobicContact CE1-CG1 4.19Å; Y264-V285 HydrophobicContact CE1-CG2 3.67Å; I265-V285 HydrophobicContact CD1-CG2 3.56Å; I265-V285 HydrophobicContact CG1-CG2 4.12Å; L281-V285 WeakPolarHBondContact O-CG2 3.21Å; L281-V285 PolarHBondContact O-N 3.22Å; G282-V285 WeakPolarHBondContact O-CB 3.37Å; G282-V285 PolarHBondContact O-N 3.23Å; R283-V285 VanDerWaalsContact C-N 3.35Å; V285-H288 PolarHBondContact O-N 3.39Å; V285-K289 WeakPolarHBondContact O-CG 2.97Å; V285-K289 PolarHBondContact O-N 2.56Å
286	E	84.2	Confident	84.3	Confident	91 Å²	91	51.2 Å²	51.2	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-42.6	176.7	-72.1	177.2	170.2	0	0	112.2	G282 R283 I284 K289	G282-E286 WeakPolarHBondContact O-CG 3.29Å; G282-E286 PolarHBondContact O-N 2.97Å; R283-E286 WeakPolarHBondContact CD-OE2 3.48Å; R283-E286 IonicContact CZ-OE2 2.87Å; R283-E286 IonicContact NE-OE2 2.89Å; R283-E286 IonicContact NH1-OE2 3.77Å; R283-E286 PolarHBondContact NH1-OE2 2.92Å; R283-E286 PolarHBondContact O-N 3.44Å; I284-E286 VanDerWaalsContact C-N 3.35Å; I284-E286 PolarHBondContact O-N 2.57Å; E286-K289 WeakPolarHBondContact O-CB 3.46Å; E286-K289 PolarHBondContact O-N 3.17Å
287	L	79.6	Confident	84.7	Confident	10 Å²	10	50.5 Å²	50.5	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41.7	174	-80.2	166.7	0	0	0	112.8	C240 I241 R283 I284 K289 L290 H291 F507	C240-L287 HydrophobicContact CB-CD1 3.82Å; C240-L287 WeakPolarHBondContact O-CD1 3.14Å; I241-L287 HydrophobicContact CG1-CD1 3.86Å; R283-L287 WeakPolarHBondContact O-CB 3.48Å; R283-L287 WeakPolarHBondContact O-CG 3.26Å; R283-L287 PolarHBondContact O-N 3.04Å; I284-L287 PolarHBondContact O-N 2.95Å; L287-K289 PolarHBondContact O-N 3Å; L287-L290 WeakPolarHBondContact O-CB 3.41Å; L287-L290 PolarHBondContact O-N 3.47Å; L287-H291 PolarHBondContact O-CD2 3.29Å; L287-F507 HydrophobicContact CD1-CE1 4.32Å; L287-F507 HydrophobicContact CD1-CE2 4.33Å; L287-F507 HydrophobicContact CD1-CZ 3.86Å; L287-F507 HydrophobicContact CD2-CD2 4.5Å; L287-F507 HydrophobicContact CD2-CE1 4.33Å; L287-F507 HydrophobicContact CD2-CE2 3.24Å; L287-F507 HydrophobicContact CD2-CZ 3.19Å; L287-F507 HydrophobicContact CG-CE1 4.15Å; L287-F507 HydrophobicContact CG-CE2 3.94Å; L287-F507 HydrophobicContact CG-CZ 3.36Å
288	H	88.6	Confident	85	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-38.2	179.4	176.3	-145.9	0	0	0	111.7	V247 Q248 G252 H254 H259 Y264 I284 V285 L290 H291	V247-H288 HydrophobicContact CG1-CB 4.28Å; V247-H288 VanDerWaalsContact CG1-CE1 3.48Å; V247-H288 WeakPolarHBondContact CG1-CE1 3.22Å; V247-H288 VanDerWaalsContact CG1-ND1 3.33Å; V247-H288 WeakPolarHBondContact CG1-ND1 3.45Å; Q248-H288 PolarHBondContact OE1-CD2 2.99Å; Q248-H288 VanDerWaalsContact OE1-CD2 3.26Å; Q248-H288 PolarHBondContact OE1-NE2 2.89Å; G252-H288 PolarHBondContact O-NE2 3.04Å; H254-H288 AromaticContact CD2-ND1 3.93Å; H259-H288 AromaticContact ND1-CE1 3.9Å; Y264-H288 AromaticContact CE2-ND1 3.77Å; Y264-H288 AromaticContact CZ-ND1 3.69Å; Y264-H288 PolarHBondContact OH-ND1 3.17Å; I284-H288 VanDerWaalsContact O-CB 3.31Å; I284-H288 WeakPolarHBondContact O-CB 3.48Å; I284-H288 PolarHBondContact O-N 3.4Å; V285-H288 PolarHBondContact O-N 3.39Å; H288-L290 PolarHBondContact O-N 3.42Å; H288-L290 VanDerWaalsContact O-N 3.15Å; H288-H291 PolarHBondContact O-N 3.39Å; H288-H291 VanDerWaalsContact O-N 3.14Å
289	K	87.8	Confident	85.5	Confident	106 Å²	106	48 Å²	48	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-58.2	-28.5	175.1	-68.1	168.4	-175.4	176.7	0	113.7	H254 V285 E286 L287	H254-K289 HydrophobicContact CB-CG 4.12Å; H254-K289 VanDerWaalsContact CD2-CG 3.45Å; H254-K289 WeakPolarHBondContact CD2-CG 3.3Å; H254-K289 VanDerWaalsContact NE2-CE 3.29Å; H254-K289 WeakPolarHBondContact NE2-CE 3.3Å; V285-K289 WeakPolarHBondContact O-CG 2.97Å; V285-K289 PolarHBondContact O-N 2.56Å; E286-K289 WeakPolarHBondContact O-CB 3.46Å; E286-K289 PolarHBondContact O-N 3.17Å; L287-K289 PolarHBondContact O-N 3Å
290	L	83.5	Confident	86.1	Confident	85 Å²	85	42.7 Å²	42.7	45%	0.445	21%	0.211	S	C	.	.	H	α-helix	trans	-83.6	-15.6	-177	-56.4	176.3	0	0	0	112.9	L287 H288 R292 Y506	L287-L290 WeakPolarHBondContact O-CB 3.41Å; L287-L290 PolarHBondContact O-N 3.47Å; H288-L290 PolarHBondContact O-N 3.42Å; H288-L290 VanDerWaalsContact O-N 3.15Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.88Å; L290-Y506 HydrophobicContact CD1-CD1 3.56Å; L290-Y506 HydrophobicContact CD1-CE1 3.81Å; L290-Y506 HydrophobicContact CD1-CG 4.31Å
291	H	82.1	Confident	86.5	Confident	19 Å²	19	46.4 Å²	46.4	9%	0.088	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	11.7	-177.2	-63.3	-41.1	0	0	0	113.9	S244 Y245 Q248 L287 H288 G293 K294	S244-H291 PolarHBondContact OG-NE2 3.31Å; Y245-H291 AromaticContact CD1-NE2 3.8Å; Y245-H291 AromaticContact CE1-CE1 3.39Å; Y245-H291 WeakPolarHBondContact CE1-CE1 3.23Å; Y245-H291 AromaticContact CE1-ND1 3.88Å; Y245-H291 AromaticContact CE1-NE2 3.6Å; Q248-H291 HydrophobicContact CB-CB 4.14Å; Q248-H291 HydrophobicContact CG-CB 3.81Å; Q248-H291 PolarHBondContact NE2-O 2.84Å; Q248-H291 PolarHBondContact OE1-O 2.87Å; L287-H291 PolarHBondContact O-CD2 3.29Å; H288-H291 PolarHBondContact O-N 3.39Å; H288-H291 VanDerWaalsContact O-N 3.14Å; H291-G293 PolarHBondContact O-N 2.81Å; H291-K294 HydrophobicContact CB-CD 4.15Å; H291-K294 VanDerWaalsContact O-CB 3.27Å; H291-K294 WeakPolarHBondContact O-CB 3.37Å; H291-K294 VanDerWaalsContact O-CG 3.3Å; H291-K294 WeakPolarHBondContact O-CG 3.37Å; H291-K294 PolarHBondContact O-N 3.03Å
292	R	84.4	Confident	86.5	Confident	199 Å²	199	46.8 Å²	46.8	75%	0.751	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.1	-178.7	-167.9	-177.8	-176.9	-174.8	1.3	111.8	D253 L290	D253-R292 HydrophobicContact CB-CG 4.3Å; D253-R292 WeakPolarHBondContact OD1-CA 3.47Å; D253-R292 VanDerWaalsContact OD2-CG 3.27Å; D253-R292 WeakPolarHBondContact OD2-CG 3.21Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.88Å
293	G	83.6	Confident	87.1	Confident	53 Å²	53	45.7 Å²	45.7	55%	0.546	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	0.2	-179.1	0	0	0	0	0	114.5	D253 H291	D253-G293 VanDerWaalsContact CG-N 3.28Å; D253-G293 PolarHBondContact OD1-N 2.87Å; D253-G293 PolarHBondContact OD2-N 2.78Å; H291-G293 PolarHBondContact O-N 2.81Å
294	K	85.3	Confident	87.8	Confident	77 Å²	77	42.7 Å²	42.7	34%	0.335	21%	0.205	S	C	.	.			trans	-84.8	128.8	175.3	-66.9	-171.1	-177.9	-53.4	0	111.2	Q248 H291 L302	Q248-K294 HydrophobicContact CG-CB 4.13Å; Q248-K294 PolarHBondContact NE2-O 2.74Å; H291-K294 HydrophobicContact CB-CD 4.15Å; H291-K294 VanDerWaalsContact O-CB 3.27Å; H291-K294 WeakPolarHBondContact O-CB 3.37Å; H291-K294 VanDerWaalsContact O-CG 3.3Å; H291-K294 WeakPolarHBondContact O-CG 3.37Å; H291-K294 PolarHBondContact O-N 3.03Å; K294-L302 HydrophobicContact CD-CD1 3.7Å
295	T	89.2	Confident	87.9	Confident	23 Å²	23	43.3 Å²	43.3	14%	0.141	21%	0.208	C	C	.	.			trans	-71	159.8	175.5	58.4	0	0	0	0	112.1	E297 E298 A299 Y427	T295-E297 WeakPolarHBondContact CB-OE2 3.36Å; T295-E297 PolarHBondContact O-N 2.91Å; T295-E298 PolarHBondContact N-OE2 2.9Å; T295-E298 PolarHBondContact O-N 2.77Å; T295-E298 WeakPolarHBondContact OG1-CB 3.38Å; T295-E298 WeakPolarHBondContact OG1-CG 3.45Å; T295-E298 PolarHBondContact OG1-N 3.08Å; T295-E298 PolarHBondContact OG1-OE2 3.12Å; T295-E298 VanDerWaalsContact OG1-OE2 3.05Å; T295-A299 WeakPolarHBondContact O-CB 3.48Å; T295-A299 PolarHBondContact O-N 2.74Å; T295-Y427 WeakPolarHBondContact CG2-OH 3.47Å
296	P	89	Confident	87.6	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-53.8	-38	173.4	-27.8	35.6	0	0	0	114	Y53 Y54 S249 A299 D300	Y53-P296 HydrophobicContact CD1-CB 4.39Å; Y53-P296 HydrophobicContact CD1-CG 4.42Å; Y53-P296 HydrophobicContact CE1-CB 3.89Å; Y53-P296 HydrophobicContact CE1-CG 3.87Å; Y54-P296 PolarHBondContact OH-O 3.41Å; S249-P296 PolarHBondContact OG-O 3.1Å; P296-A299 PolarHBondContact O-N 2.83Å; P296-D300 VanDerWaalsContact O-CB 3.3Å; P296-D300 WeakPolarHBondContact O-CB 3.47Å; P296-D300 PolarHBondContact O-N 2.87Å
297	E	90.9	Very high	87.7	Confident	29 Å²	29	38.9 Å²	38.9	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-46.5	177.8	-57.5	89.5	137.6	0	0	111.4	Y53 Y54 L57 D213 T295 R301	Y53-E297 HydrophobicContact CE1-CG 4.47Å; Y53-E297 VanDerWaalsContact CE1-OE2 3.32Å; Y53-E297 WeakPolarHBondContact CE1-OE2 3.23Å; Y53-E297 PolarHBondContact OH-OE1 3.45Å; Y53-E297 PolarHBondContact OH-OE2 2.84Å; Y54-E297 HydrophobicContact CE1-CG 3.88Å; L57-E297 HydrophobicContact CD1-CG 3.81Å; L57-E297 WeakPolarHBondContact CD1-OE1 3.38Å; D213-E297 HydrophobicContact CB-CG 4.28Å; T295-E297 WeakPolarHBondContact CB-OE2 3.36Å; T295-E297 PolarHBondContact O-N 2.91Å; E297-R301 WeakPolarHBondContact O-CB 3.27Å; E297-R301 PolarHBondContact O-N 2.86Å
298	E	89.6	Confident	88.1	Confident	91 Å²	91	41.1 Å²	41.1	43%	0.425	20%	0.195	S	C	.	.	H	α-helix	trans	-67	-41.6	177.8	-72.8	170.8	146.5	0	0	111.3	T295 R301 L302	T295-E298 PolarHBondContact N-OE2 2.9Å; T295-E298 PolarHBondContact O-N 2.77Å; T295-E298 WeakPolarHBondContact OG1-CB 3.38Å; T295-E298 WeakPolarHBondContact OG1-CG 3.45Å; T295-E298 PolarHBondContact OG1-N 3.08Å; T295-E298 PolarHBondContact OG1-OE2 3.12Å; T295-E298 VanDerWaalsContact OG1-OE2 3.05Å; E298-R301 PolarHBondContact O-N 3.25Å; E298-L302 WeakPolarHBondContact O-CB 3.33Å; E298-L302 VanDerWaalsContact O-CG 3.23Å; E298-L302 WeakPolarHBondContact O-CG 3.42Å; E298-L302 PolarHBondContact O-N 3.29Å
299	A	90.3	Very high	87.6	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-44.6	176.4	0	0	0	0	0	111.5	Q248 T295 P296 L302 F303	Q248-A299 HydrophobicContact CB-CB 4.17Å; Q248-A299 HydrophobicContact CG-CB 3.99Å; T295-A299 WeakPolarHBondContact O-CB 3.48Å; T295-A299 PolarHBondContact O-N 2.74Å; P296-A299 PolarHBondContact O-N 2.83Å; A299-L302 PolarHBondContact O-N 3.48Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.43Å
300	D	93.1	Very high	87.2	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-40.1	176.1	-82.1	-12.6	0	0	0	111.2	K50 Y54 C220 S249 P296 F303 L304	K50-D300 WeakPolarHBondContact CE-OD2 3.3Å; K50-D300 IonicContact NZ-OD1 3.62Å; K50-D300 PolarHBondContact NZ-OD1 2.83Å; K50-D300 VanDerWaalsContact NZ-OD1 3.15Å; K50-D300 IonicContact NZ-OD2 3.63Å; K50-D300 PolarHBondContact NZ-OD2 3.08Å; Y54-D300 PolarHBondContact OH-OD2 2.98Å; C220-D300 VanDerWaalsContact SG-CB 3.56Å; S249-D300 WeakPolarHBondContact CB-OD1 3.35Å; S249-D300 VanDerWaalsContact OG-CG 3.31Å; S249-D300 PolarHBondContact OG-OD1 3.34Å; S249-D300 PolarHBondContact OG-OD2 3.22Å; P296-D300 VanDerWaalsContact O-CB 3.3Å; P296-D300 WeakPolarHBondContact O-CB 3.47Å; P296-D300 PolarHBondContact O-N 2.87Å; D300-F303 WeakPolarHBondContact O-CB 3.19Å; D300-F303 PolarHBondContact O-N 2.69Å; D300-L304 WeakPolarHBondContact O-CG 3.21Å; D300-L304 PolarHBondContact O-N 3.25Å
301	R	91.2	Very high	86.7	Confident	80 Å²	80	35.6 Å²	35.6	30%	0.302	17%	0.173	S	C	.	.	H	α-helix	trans	-61.2	-44.6	172.8	178.5	-172.9	164.2	96.4	12.5	111.5	D208 E297 E298 L304 N305 D498	D208-R301 IonicContact OD1-CZ 3.64Å; D208-R301 IonicContact OD1-NH1 3.46Å; D208-R301 PolarHBondContact OD1-NH1 3.39Å; D208-R301 IonicContact OD1-NH2 2.64Å; D208-R301 PolarHBondContact OD1-NH2 2.87Å; D208-R301 IonicContact OD2-CZ 3.42Å; D208-R301 IonicContact OD2-NH1 3.3Å; D208-R301 PolarHBondContact OD2-NH1 3.41Å; D208-R301 IonicContact OD2-NH2 3.56Å; D208-R301 PolarHBondContact OD2-NH2 2.88Å; E297-R301 WeakPolarHBondContact O-CB 3.27Å; E297-R301 PolarHBondContact O-N 2.86Å; E298-R301 PolarHBondContact O-N 3.25Å; R301-L304 PolarHBondContact O-N 3.32Å; R301-N305 VanDerWaalsContact O-CB 3.3Å; R301-N305 WeakPolarHBondContact O-CB 3.41Å; R301-N305 PolarHBondContact O-N 2.83Å; R301-N305 PolarHBondContact O-ND2 2.84Å; R301-D498 IonicContact NH2-OD2 3.11Å
302	L	89.4	Confident	86.9	Confident	19 Å²	19	35.4 Å²	35.4	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-41.5	176.8	-74.9	168.6	0	0	0	111.7	Y245 K294 E298 A299 N305 N306	Y245-L302 HydrophobicContact CD1-CB 3.91Å; Y245-L302 HydrophobicContact CD1-CD1 4.26Å; Y245-L302 HydrophobicContact CD2-CB 4.23Å; Y245-L302 HydrophobicContact CE1-CB 3.67Å; Y245-L302 HydrophobicContact CE1-CD1 3.67Å; Y245-L302 HydrophobicContact CE1-CG 4.24Å; Y245-L302 HydrophobicContact CE2-CB 3.99Å; Y245-L302 HydrophobicContact CG-CB 4.19Å; K294-L302 HydrophobicContact CD-CD1 3.7Å; E298-L302 WeakPolarHBondContact O-CB 3.33Å; E298-L302 VanDerWaalsContact O-CG 3.23Å; E298-L302 WeakPolarHBondContact O-CG 3.42Å; E298-L302 PolarHBondContact O-N 3.29Å; A299-L302 PolarHBondContact O-N 3.48Å; L302-N305 PolarHBondContact O-N 2.92Å; L302-N306 PolarHBondContact O-N 3.22Å; L302-N306 VanDerWaalsContact O-N 3.08Å; L302-N306 PolarHBondContact O-ND2 2.8Å
303	F	94.5	Very high	87.1	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-55.8	-52.4	173	174.2	-90.3	0	0	0	110.8	C220 V223 R224 I227 L242 Y245 I246 A299 D300 N305 N306 A307	C220-F303 HydrophobicContact CB-CD1 4.11Å; C220-F303 HydrophobicContact CB-CE1 4.18Å; V223-F303 HydrophobicContact CB-CE1 3.85Å; V223-F303 HydrophobicContact CB-CZ 4.29Å; V223-F303 HydrophobicContact CG1-CE1 3.52Å; V223-F303 HydrophobicContact CG1-CZ 3.72Å; R224-F303 HydrophobicContact CB-CZ 4.41Å; I227-F303 HydrophobicContact CD1-CE2 4.18Å; I227-F303 HydrophobicContact CD1-CZ 3.87Å; L242-F303 HydrophobicContact CB-CD2 3.94Å; L242-F303 HydrophobicContact CB-CE2 3.77Å; L242-F303 HydrophobicContact CD2-CD2 3.76Å; L242-F303 HydrophobicContact CD2-CE2 4.05Å; L242-F303 HydrophobicContact CD2-CG 4.32Å; L242-F303 WeakPolarHBondContact CD2-O 3.36Å; L242-F303 HydrophobicContact CG-CD2 4.39Å; L242-F303 HydrophobicContact CG-CE2 4.32Å; Y245-F303 HydrophobicContact CD2-CB 4.37Å; Y245-F303 HydrophobicContact CG-CB 4.47Å; I246-F303 HydrophobicContact CD1-CD2 4.22Å; I246-F303 HydrophobicContact CD1-CE2 3.57Å; I246-F303 HydrophobicContact CD1-CZ 4.32Å; I246-F303 HydrophobicContact CG1-CD2 3.83Å; I246-F303 HydrophobicContact CG1-CE2 3.66Å; I246-F303 HydrophobicContact CG1-CZ 4.49Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.43Å; D300-F303 WeakPolarHBondContact O-CB 3.19Å; D300-F303 PolarHBondContact O-N 2.69Å; F303-N305 PolarHBondContact O-N 2.84Å; F303-N306 PolarHBondContact O-N 2.85Å; F303-A307 HydrophobicContact CE1-CB 4.48Å; F303-A307 WeakPolarHBondContact O-CB 3.27Å; F303-A307 PolarHBondContact O-N 2.83Å
304	L	93.3	Very high	87.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-39.9	179.6	-68.9	174.8	0	0	0	112.7	I207 R216 L219 C220 V223 D300 R301 N306 A307 R308	I207-L304 HydrophobicContact CD1-CB 3.96Å; I207-L304 HydrophobicContact CG1-CB 3.98Å; I207-L304 HydrophobicContact CG2-CB 3.86Å; I207-L304 HydrophobicContact CG2-CD1 3.86Å; R216-L304 HydrophobicContact CB-CD1 3.84Å; R216-L304 HydrophobicContact CG-CD1 3.89Å; L219-L304 HydrophobicContact CB-CD1 4.43Å; L219-L304 HydrophobicContact CB-CD2 4.29Å; L219-L304 HydrophobicContact CD2-CD1 4.04Å; L219-L304 HydrophobicContact CD2-CD2 3.94Å; L219-L304 HydrophobicContact CG-CD1 4.37Å; L219-L304 HydrophobicContact CG-CD2 3.69Å; C220-L304 VanDerWaalsContact SG-CG 3.52Å; V223-L304 HydrophobicContact CG2-CD2 4.18Å; D300-L304 WeakPolarHBondContact O-CG 3.21Å; D300-L304 PolarHBondContact O-N 3.25Å; R301-L304 PolarHBondContact O-N 3.32Å; L304-N306 PolarHBondContact O-N 3.41Å; L304-A307 PolarHBondContact O-N 2.77Å; L304-R308 VanDerWaalsContact O-CB 3.26Å; L304-R308 WeakPolarHBondContact O-CB 3.14Å; L304-R308 WeakPolarHBondContact O-CG 3.46Å; L304-R308 PolarHBondContact O-N 3.31Å
305	N	87.5	Confident	87.7	Confident	12 Å²	12	21.6 Å²	21.6	6%	0.064	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-24	177.5	-83.4	-29.9	0	0	0	113.3	R301 L302 F303 R308 K309	R301-N305 VanDerWaalsContact O-CB 3.3Å; R301-N305 WeakPolarHBondContact O-CB 3.41Å; R301-N305 PolarHBondContact O-N 2.83Å; R301-N305 PolarHBondContact O-ND2 2.84Å; L302-N305 PolarHBondContact O-N 2.92Å; F303-N305 PolarHBondContact O-N 2.84Å; N305-R308 WeakPolarHBondContact O-CG 3.24Å; N305-K309 VanDerWaalsContact O-CE 3.28Å; N305-K309 WeakPolarHBondContact O-CE 3.3Å; N305-K309 WeakPolarHBondContact O-CG 3.3Å
306	N	82.2	Confident	87.8	Confident	7 Å²	7	21.7 Å²	21.7	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-89.1	-43.3	172.9	-73.9	-61.3	0	0	0	112.1	L242 Y245 L302 F303 L304 R308 K309 M502	L242-N306 HydrophobicContact CD2-CB 3.71Å; Y245-N306 VanDerWaalsContact CE2-ND2 3.34Å; Y245-N306 WeakPolarHBondContact CE2-ND2 3.32Å; L302-N306 PolarHBondContact O-N 3.22Å; L302-N306 VanDerWaalsContact O-N 3.08Å; L302-N306 PolarHBondContact O-ND2 2.8Å; F303-N306 PolarHBondContact O-N 2.85Å; L304-N306 PolarHBondContact O-N 3.41Å; N306-R308 VanDerWaalsContact C-N 3.35Å; N306-R308 PolarHBondContact O-N 2.94Å; N306-K309 WeakPolarHBondContact O-CB 3.49Å; N306-K309 PolarHBondContact O-N 3.22Å; N306-M502 HydrophobicContact CB-CE 3.93Å; N306-M502 WeakPolarHBondContact OD1-CE 3.35Å; N306-M502 WeakPolarHBondContact OD1-CG 3.36Å
307	A	87.3	Confident	87.9	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.9	-37.7	178.1	0	0	0	0	0	112.6	V223 L242 F303 L304 K309 L310 Y313	V223-A307 HydrophobicContact CG1-CB 3.51Å; L242-A307 HydrophobicContact CD1-CB 4.5Å; L242-A307 HydrophobicContact CD2-CB 4.34Å; F303-A307 HydrophobicContact CE1-CB 4.48Å; F303-A307 WeakPolarHBondContact O-CB 3.27Å; F303-A307 PolarHBondContact O-N 2.83Å; L304-A307 PolarHBondContact O-N 2.77Å; A307-K309 PolarHBondContact O-N 2.94Å; A307-K309 VanDerWaalsContact O-N 3.08Å; A307-L310 VanDerWaalsContact O-CB 3.23Å; A307-L310 WeakPolarHBondContact O-CB 3.4Å; A307-L310 WeakPolarHBondContact O-CG 3.27Å; A307-L310 PolarHBondContact O-N 2.95Å; A307-Y313 HydrophobicContact CB-CD2 4.4Å; A307-Y313 WeakPolarHBondContact O-CB 3.31Å; A307-Y313 WeakPolarHBondContact O-CD2 2.96Å
308	R	87.4	Confident	87.9	Confident	57 Å²	57	23.2 Å²	23.2	22%	0.215	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.3	179	78.7	178.1	-149.9	169.8	-8.8	113.6	C205 I207 L304 N305 N306 L310 Y313	C205-R308 VanDerWaalsContact O-CD 3.22Å; C205-R308 WeakPolarHBondContact O-CD 3.31Å; C205-R308 PolarHBondContact O-NH1 3Å; I207-R308 HydrophobicContact CD1-CB 4.31Å; I207-R308 HydrophobicContact CG1-CB 4.47Å; L304-R308 VanDerWaalsContact O-CB 3.26Å; L304-R308 WeakPolarHBondContact O-CB 3.14Å; L304-R308 WeakPolarHBondContact O-CG 3.46Å; L304-R308 PolarHBondContact O-N 3.31Å; N305-R308 WeakPolarHBondContact O-CG 3.24Å; N306-R308 VanDerWaalsContact C-N 3.35Å; N306-R308 PolarHBondContact O-N 2.94Å; R308-L310 VanDerWaalsContact C-N 3.3Å; R308-Y313 HydrophobicContact CB-CD1 4.23Å; R308-Y313 HydrophobicContact CB-CE1 4.01Å; R308-Y313 HydrophobicContact CB-CE2 4.42Å
309	K	78.9	Confident	88	Confident	39 Å²	39	23 Å²	23	17%	0.17	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-37	178.7	-62.5	175.5	-178.7	175.3	0	107.7	N305 N306 A307 A311 P492 C501	N305-K309 VanDerWaalsContact O-CE 3.28Å; N305-K309 WeakPolarHBondContact O-CE 3.3Å; N305-K309 WeakPolarHBondContact O-CG 3.3Å; N306-K309 WeakPolarHBondContact O-CB 3.49Å; N306-K309 PolarHBondContact O-N 3.22Å; A307-K309 PolarHBondContact O-N 2.94Å; A307-K309 VanDerWaalsContact O-N 3.08Å; K309-A311 PolarHBondContact O-N 3.45Å; K309-P492 HydrophobicContact CB-CB 3.69Å; K309-P492 HydrophobicContact CB-CG 3.46Å; K309-P492 VanDerWaalsContact CB-CG 3.46Å; K309-P492 WeakPolarHBondContact O-CB 3.37Å; K309-P492 WeakPolarHBondContact O-CG 3.33Å; K309-C501 PolarHBondContact NZ-O 2.97Å; K309-C501 PolarHBondContact NZ-SG 3.25Å; K309-C501 VanDerWaalsContact NZ-SG 3.37Å
310	L	77.9	Confident	88.1	Confident	5 Å²	5	23.2 Å²	23.2	3%	0.026	11%	0.114	C	C	.	.	S	Bend	trans	-52.3	137.1	-169.3	-64.7	175.4	0	0	0	112.9	L232 C234 T238 L242 A307 R308 L312 Y313 P492	L232-L310 HydrophobicContact CD1-CB 3.63Å; L232-L310 HydrophobicContact CD1-CD1 4Å; L232-L310 HydrophobicContact CD1-CG 4.47Å; L232-L310 HydrophobicContact CD2-CD1 3.87Å; L232-L310 HydrophobicContact CG-CB 4.28Å; L232-L310 HydrophobicContact CG-CD1 3.68Å; C234-L310 HydrophobicContact CB-CD1 3.73Å; C234-L310 HydrophobicContact CB-CD2 3.44Å; C234-L310 VanDerWaalsContact CB-CD2 3.44Å; C234-L310 HydrophobicContact CB-CG 4.26Å; T238-L310 HydrophobicContact CG2-CD2 4.07Å; L242-L310 HydrophobicContact CD1-CD1 4.13Å; A307-L310 VanDerWaalsContact O-CB 3.23Å; A307-L310 WeakPolarHBondContact O-CB 3.4Å; A307-L310 WeakPolarHBondContact O-CG 3.27Å; A307-L310 PolarHBondContact O-N 2.95Å; R308-L310 VanDerWaalsContact C-N 3.3Å; L310-L312 PolarHBondContact O-N 3.49Å; L310-Y313 WeakPolarHBondContact O-CB 3.22Å; L310-Y313 PolarHBondContact O-N 3.36Å; L310-P492 VanDerWaalsContact CA-CG 3.4Å; L310-P492 HydrophobicContact CB-CG 4.49Å; L310-P492 HydrophobicContact CD2-CG 3.93Å; L310-P492 HydrophobicContact CG-CG 4.45Å; L310-P492 VanDerWaalsContact N-CG 3.28Å
311	A	74.5	Confident	88.2	Confident	30 Å²	30	27.1 Å²	27.1	25%	0.248	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.4	-169.9	0	0	0	0	0	114.2	K309	K309-A311 PolarHBondContact O-N 3.45Å
312	L	85.3	Confident	88.1	Confident	16 Å²	16	24.6 Å²	24.6	8%	0.084	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	11.6	179.2	-64.6	174.5	0	0	0	113.1	L232 P233 L310 G314 V315 Y340 F469	L232-L312 HydrophobicContact CD1-CB 4.03Å; P233-L312 HydrophobicContact CG-CD1 3.74Å; L310-L312 PolarHBondContact O-N 3.49Å; L312-G314 PolarHBondContact O-N 3.07Å; L312-G314 VanDerWaalsContact O-N 3.08Å; L312-V315 HydrophobicContact CD2-CB 4.24Å; L312-V315 HydrophobicContact CD2-CG1 4.28Å; L312-V315 HydrophobicContact CD2-CG2 4.38Å; L312-V315 PolarHBondContact O-N 2.76Å; L312-V315 VanDerWaalsContact O-N 3.12Å; L312-Y340 HydrophobicContact CD2-CE1 4.38Å; L312-Y340 WeakPolarHBondContact CD2-OH 3.35Å; L312-F469 HydrophobicContact CD1-CD1 4.36Å; L312-F469 HydrophobicContact CD1-CD2 3.46Å; L312-F469 VanDerWaalsContact CD1-CD2 3.46Å; L312-F469 HydrophobicContact CD1-CE1 4.27Å; L312-F469 HydrophobicContact CD1-CE2 3.36Å; L312-F469 HydrophobicContact CD1-CG 4.01Å; L312-F469 HydrophobicContact CD1-CZ 3.81Å; L312-F469 HydrophobicContact CD2-CE2 4.12Å; L312-F469 HydrophobicContact CD2-CZ 4.39Å; L312-F469 HydrophobicContact CG-CE2 4.4Å
313	Y	89	Confident	87.9	Confident	5 Å²	5	28.8 Å²	28.8	2%	0.02	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	115	177.7	175.3	-98	0	0	0	110.6	Y203 P204 V223 L232 A307 R308 L310 V315	Y203-Y313 HydrophobicContact CD1-CD2 4.46Å; Y203-Y313 HydrophobicContact CD1-CE1 4.33Å; Y203-Y313 AromaticContact CD1-CE2 3.96Å; Y203-Y313 HydrophobicContact CD1-CE2 3.96Å; Y203-Y313 AromaticContact CD1-CZ 3.87Å; P204-Y313 PolarHBondContact O-OH 3.07Å; V223-Y313 HydrophobicContact CG2-CD2 4.35Å; V223-Y313 HydrophobicContact CG2-CE2 3.67Å; L232-Y313 VanDerWaalsContact CD1-N 3.31Å; L232-Y313 HydrophobicContact CD2-CD2 4.36Å; A307-Y313 HydrophobicContact CB-CD2 4.4Å; A307-Y313 WeakPolarHBondContact O-CB 3.31Å; A307-Y313 WeakPolarHBondContact O-CD2 2.96Å; R308-Y313 HydrophobicContact CB-CD1 4.23Å; R308-Y313 HydrophobicContact CB-CE1 4.01Å; R308-Y313 HydrophobicContact CB-CE2 4.42Å; L310-Y313 WeakPolarHBondContact O-CB 3.22Å; L310-Y313 PolarHBondContact O-N 3.36Å; Y313-V315 PolarHBondContact O-N 3.18Å
314	G	90.9	Very high	87.5	Confident	11 Å²	11	36.1 Å²	36.1	11%	0.113	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	27.7	-179.8	0	0	0	0	0	114.3	L312	L312-G314 PolarHBondContact O-N 3.07Å; L312-G314 VanDerWaalsContact O-N 3.08Å
315	V	90.4	Very high	87.1	Confident	22 Å²	22	38.1 Å²	38.1	13%	0.133	21%	0.211	C	C	.	.			trans	-92.9	110.5	177.7	-178.1	0	0	0	0	110	L312 Y313 L317 G331 V332 Y333 L338	L312-V315 HydrophobicContact CD2-CB 4.24Å; L312-V315 HydrophobicContact CD2-CG1 4.28Å; L312-V315 HydrophobicContact CD2-CG2 4.38Å; L312-V315 PolarHBondContact O-N 2.76Å; L312-V315 VanDerWaalsContact O-N 3.12Å; Y313-V315 PolarHBondContact O-N 3.18Å; V315-L317 HydrophobicContact CG1-CD2 3.78Å; V315-L317 HydrophobicContact CG1-CG 4.24Å; V315-G331 VanDerWaalsContact CG1-CA 3.49Å; V315-V332 WeakPolarHBondContact CA-O 3.17Å; V315-Y333 HydrophobicContact CG2-CG 4.42Å; V315-L338 HydrophobicContact CG1-CD1 4.3Å; V315-L338 HydrophobicContact CG2-CD1 4.07Å
316	D	91.8	Very high	87.1	Confident	26 Å²	26	41 Å²	41	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.1	172.6	-177.3	17.8	0	0	0	110.1	H318 G331 V332 R391 V395	D316-H318 PolarHBondContact O-CD2 3.5Å; D316-H318 IonicContact OD1-CD2 3.7Å; D316-H318 IonicContact OD1-NE2 2.7Å; D316-H318 PolarHBondContact OD1-NE2 3.29Å; D316-H318 IonicContact OD2-CD2 3.23Å; D316-H318 IonicContact OD2-CE1 3.27Å; D316-H318 IonicContact OD2-NE2 2.76Å; D316-H318 PolarHBondContact OD2-NE2 2.88Å; D316-G331 CarbonylContact O-C 3.56Å; D316-G331 WeakPolarHBondContact O-CA 2.96Å; D316-V332 PolarHBondContact N-O 2.81Å; D316-V332 PolarHBondContact O-N 3.26Å; D316-R391 IonicContact OD1-NH2 3.8Å; D316-V395 WeakPolarHBondContact OD2-CG1 3.28Å
317	L	90.1	Very high	87.4	Confident	47 Å²	47	45.6 Å²	45.6	25%	0.246	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.4	-172	-66.9	171.3	0	0	0	112.6	V315 T329 L330 Y340 F469	V315-L317 HydrophobicContact CG1-CD2 3.78Å; V315-L317 HydrophobicContact CG1-CG 4.24Å; L317-T329 HydrophobicContact CB-CG2 3.85Å; L317-T329 HydrophobicContact CD2-CG2 3.76Å; L317-T329 HydrophobicContact CG-CG2 4.32Å; L317-L330 CarbonylContact C-O 3.54Å; L317-L330 WeakPolarHBondContact CA-O 2.99Å; L317-Y340 HydrophobicContact CD2-CD2 4.19Å; L317-Y340 HydrophobicContact CD2-CE2 4.14Å; L317-F469 HydrophobicContact CD1-CD2 4.29Å; L317-F469 HydrophobicContact CD1-CE2 3.89Å
318	H	92.2	Very high	87.6	Confident	16 Å²	16	45.8 Å²	45.8	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.8	-178.9	-64.9	-102.6	0	0	0	111	D316 T329 L330 L392	D316-H318 PolarHBondContact O-CD2 3.5Å; D316-H318 IonicContact OD1-CD2 3.7Å; D316-H318 IonicContact OD1-NE2 2.7Å; D316-H318 PolarHBondContact OD1-NE2 3.29Å; D316-H318 IonicContact OD2-CD2 3.23Å; D316-H318 IonicContact OD2-CE1 3.27Å; D316-H318 IonicContact OD2-NE2 2.76Å; D316-H318 PolarHBondContact OD2-NE2 2.88Å; H318-T329 WeakPolarHBondContact O-CA 3.29Å; H318-L330 PolarHBondContact N-O 3.5Å; H318-L330 PolarHBondContact O-N 2.89Å; H318-L392 HydrophobicContact CB-CD1 3.99Å; H318-L392 HydrophobicContact CB-CD2 4.31Å
319	K	89.8	Confident	87.7	Confident	86 Å²	86	43.8 Å²	43.8	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.9	175.8	-63.9	-164.9	-174.2	-176.7	0	111.5	E465	K319-E465 WeakPolarHBondContact CD-OE2 3.49Å; K319-E465 WeakPolarHBondContact CE-OE2 3.45Å; K319-E465 IonicContact NZ-OE1 3.25Å; K319-E465 PolarHBondContact NZ-OE1 3.28Å; K319-E465 IonicContact NZ-OE2 2.77Å; K319-E465 PolarHBondContact NZ-OE2 3.19Å
320	V	94	Very high	88.4	Confident	6 Å²	6	42 Å²	42	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.2	179.6	-57	0	0	0	0	110.7	I328 L330 F381 K382 L392	V320-I328 HydrophobicContact CG2-CD1 3.71Å; V320-I328 HydrophobicContact CG2-CG1 3.66Å; V320-I328 PolarHBondContact N-O 3.42Å; V320-I328 CarbonylContact O-C 3.55Å; V320-I328 VanDerWaalsContact O-CG1 3.3Å; V320-I328 WeakPolarHBondContact O-CG1 3.39Å; V320-I328 PolarHBondContact O-N 2.8Å; V320-L330 HydrophobicContact CG1-CD1 4.15Å; V320-L330 HydrophobicContact CG2-CD1 3.82Å; V320-L330 HydrophobicContact CG2-CG 3.77Å; V320-F381 HydrophobicContact CB-CB 4.06Å; V320-F381 HydrophobicContact CG1-CB 4.46Å; V320-F381 HydrophobicContact CG2-CB 3.82Å; V320-F381 HydrophobicContact CG2-CD1 3.93Å; V320-F381 HydrophobicContact CG2-CG 4.11Å; V320-K382 CarbonylContact C-O 3.54Å; V320-K382 WeakPolarHBondContact CA-O 3.13Å; V320-L392 HydrophobicContact CG1-CD2 4.14Å
321	K	93.6	Very high	89	Confident	85 Å²	85	41.8 Å²	41.8	37%	0.37	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.1	170.8	-60.8	-174.2	-175.8	-93	0	111.3	Q326 D327 F381 K382	K321-Q326 CarbonylContact C-O 3.54Å; K321-Q326 VanDerWaalsContact CA-O 3.24Å; K321-Q326 WeakPolarHBondContact CA-O 3.44Å; K321-D327 VanDerWaalsContact CE-OD1 3.22Å; K321-D327 WeakPolarHBondContact CE-OD1 2.72Å; K321-D327 VanDerWaalsContact CG-OD1 3.31Å; K321-D327 WeakPolarHBondContact CG-OD1 3.1Å; K321-D327 IonicContact NZ-OD1 2.62Å; K321-D327 PolarHBondContact NZ-OD1 3.36Å; K321-D327 IonicContact NZ-OD2 3.8Å; K321-D327 PolarHBondContact NZ-OD2 3.49Å; K321-F381 CarbonylContact O-C 3.54Å; K321-F381 WeakPolarHBondContact O-CA 3.37Å; K321-K382 HydrophobicContact CB-CB 4.41Å; K321-K382 PolarHBondContact N-O 3.3Å; K321-K382 PolarHBondContact O-N 3.23Å
322	T	90	Very high	90	Very high	26 Å²	26	40.3 Å²	40.3	16%	0.16	22%	0.223	C	C	.	.			trans	-67.6	170.4	170.8	64.9	0	0	0	0	111.3	Q324 G325 Q326 I328	T322-Q324 PolarHBondContact O-N 3.23Å; T322-Q324 PolarHBondContact OG1-N 3.36Å; T322-G325 PolarHBondContact O-N 3.02Å; T322-G325 PolarHBondContact OG1-N 3.06Å; T322-Q326 HydrophobicContact CG2-CB 4.31Å; T322-Q326 PolarHBondContact N-O 3.06Å; T322-Q326 WeakPolarHBondContact OG1-CB 3.28Å; T322-Q326 PolarHBondContact OG1-N 2.99Å; T322-Q326 VanDerWaalsContact OG1-N 3.13Å; T322-I328 HydrophobicContact CG2-CD1 3.4Å; T322-I328 HydrophobicContact CG2-CG1 3.91Å; T322-I328 HydrophobicContact CG2-CG2 3.94Å
323	S	84.9	Confident	90.3	Very high	108 Å²	108	40.6 Å²	40.6	76%	0.755	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.3	169.6	51.4	0	0	0	0	113.1	G325	S323-G325 VanDerWaalsContact C-N 3.31Å
324	Q	85.6	Confident	90.4	Very high	154 Å²	154	44 Å²	44	72%	0.72	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.1	176.1	-60	177.5	0	0	0	113.3	T322	T322-Q324 PolarHBondContact O-N 3.23Å; T322-Q324 PolarHBondContact OG1-N 3.36Å
325	G	86.2	Confident	90.1	Very high	43 Å²	43	44 Å²	44	44%	0.443	24%	0.237	S	C	.	.			trans	82.9	6.9	177.9	0	0	0	0	0	115.7	T322 S323	T322-G325 PolarHBondContact O-N 3.02Å; T322-G325 PolarHBondContact OG1-N 3.06Å; S323-G325 VanDerWaalsContact C-N 3.31Å
326	Q	87.5	Confident	90.1	Very high	73 Å²	73	43 Å²	43	34%	0.341	23%	0.23	S	C	.	.			trans	-76.1	137.1	178	-61.8	177.2	-0.1	0	0	111	K321 T322	K321-Q326 CarbonylContact C-O 3.54Å; K321-Q326 VanDerWaalsContact CA-O 3.24Å; K321-Q326 WeakPolarHBondContact CA-O 3.44Å; T322-Q326 HydrophobicContact CG2-CB 4.31Å; T322-Q326 PolarHBondContact N-O 3.06Å; T322-Q326 WeakPolarHBondContact OG1-CB 3.28Å; T322-Q326 PolarHBondContact OG1-N 2.99Å; T322-Q326 VanDerWaalsContact OG1-N 3.13Å
327	D	88.4	Confident	90.2	Very high	102 Å²	102	41.9 Å²	41.9	55%	0.545	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.1	175.8	-71.8	-60.2	0	0	0	111.5	K321	K321-D327 VanDerWaalsContact CE-OD1 3.22Å; K321-D327 WeakPolarHBondContact CE-OD1 2.72Å; K321-D327 VanDerWaalsContact CG-OD1 3.31Å; K321-D327 WeakPolarHBondContact CG-OD1 3.1Å; K321-D327 IonicContact NZ-OD1 2.62Å; K321-D327 PolarHBondContact NZ-OD1 3.36Å; K321-D327 IonicContact NZ-OD2 3.8Å; K321-D327 PolarHBondContact NZ-OD2 3.49Å
328	I	90.4	Very high	90	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	164.6	-177.5	51.4	162.8	0	0	0	109.4	V320 T322 L339 Y340 R341 F381	V320-I328 HydrophobicContact CG2-CD1 3.71Å; V320-I328 HydrophobicContact CG2-CG1 3.66Å; V320-I328 PolarHBondContact N-O 3.42Å; V320-I328 CarbonylContact O-C 3.55Å; V320-I328 VanDerWaalsContact O-CG1 3.3Å; V320-I328 WeakPolarHBondContact O-CG1 3.39Å; V320-I328 PolarHBondContact O-N 2.8Å; T322-I328 HydrophobicContact CG2-CD1 3.4Å; T322-I328 HydrophobicContact CG2-CG1 3.91Å; T322-I328 HydrophobicContact CG2-CG2 3.94Å; I328-L339 HydrophobicContact CB-CD1 4.43Å; I328-L339 HydrophobicContact CD1-CD1 3.55Å; I328-Y340 CarbonylContact C-O 3.56Å; I328-Y340 WeakPolarHBondContact CA-O 3.24Å; I328-Y340 WeakPolarHBondContact CB-O 3.29Å; I328-R341 HydrophobicContact CG2-CB 4.24Å; I328-F381 HydrophobicContact CD1-CD1 3.38Å; I328-F381 HydrophobicContact CD1-CE1 3.37Å
329	T	89.6	Confident	89.7	Confident	15 Å²	15	39.8 Å²	39.8	9%	0.092	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.7	176.7	-56.4	0	0	0	0	109.6	L317 H318 Y340	L317-T329 HydrophobicContact CB-CG2 3.85Å; L317-T329 HydrophobicContact CD2-CG2 3.76Å; L317-T329 HydrophobicContact CG-CG2 4.32Å; H318-T329 WeakPolarHBondContact O-CA 3.29Å; T329-Y340 PolarHBondContact N-O 2.82Å; T329-Y340 PolarHBondContact O-N 3Å
330	L	93.4	Very high	89.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127	171.5	-67.9	173.7	0	0	0	109.4	L317 H318 V320 I337 L338 L339 F364 F381 L392	L317-L330 CarbonylContact C-O 3.54Å; L317-L330 WeakPolarHBondContact CA-O 2.99Å; H318-L330 PolarHBondContact N-O 3.5Å; H318-L330 PolarHBondContact O-N 2.89Å; V320-L330 HydrophobicContact CG1-CD1 4.15Å; V320-L330 HydrophobicContact CG2-CD1 3.82Å; V320-L330 HydrophobicContact CG2-CG 3.77Å; L330-I337 HydrophobicContact CB-CG2 4.46Å; L330-I337 HydrophobicContact CD2-CG2 3.96Å; L330-L338 CarbonylContact C-O 3.54Å; L330-L338 VanDerWaalsContact CA-O 3.29Å; L330-L338 WeakPolarHBondContact CA-O 3.16Å; L330-L339 HydrophobicContact CD2-CD1 3.43Å; L330-L339 VanDerWaalsContact CD2-CD1 3.43Å; L330-L339 HydrophobicContact CG-CD1 4.45Å; L330-F364 HydrophobicContact CD1-CD1 4.01Å; L330-F364 HydrophobicContact CD1-CE1 4.17Å; L330-F381 HydrophobicContact CD1-CB 4.24Å; L330-F381 HydrophobicContact CD1-CD1 4.47Å; L330-F381 HydrophobicContact CD1-CD2 3.82Å; L330-F381 HydrophobicContact CD1-CE2 4.25Å; L330-F381 HydrophobicContact CD1-CG 3.91Å; L330-F381 HydrophobicContact CD2-CE1 4.33Å; L330-F381 HydrophobicContact CD2-CE2 4.17Å; L330-F381 HydrophobicContact CD2-CZ 4.04Å; L330-L392 HydrophobicContact CD1-CD2 3.88Å
331	G	92	Very high	88.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.4	172.1	0	0	0	0	0	111.1	V315 D316 I337 L338	V315-G331 VanDerWaalsContact CG1-CA 3.49Å; D316-G331 CarbonylContact O-C 3.56Å; D316-G331 WeakPolarHBondContact O-CA 2.96Å; G331-I337 CarbonylContact O-C 3.54Å; G331-I337 WeakPolarHBondContact O-CA 3.34Å; G331-L338 PolarHBondContact N-O 2.78Å; G331-L338 PolarHBondContact O-N 2.9Å
332	V	94.3	Very high	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.6	175.8	-172.4	0	0	0	0	109	V315 D316 W351 L392 V395 C396 H399	V315-V332 WeakPolarHBondContact CA-O 3.17Å; D316-V332 PolarHBondContact N-O 2.81Å; D316-V332 PolarHBondContact O-N 3.26Å; V332-W351 HydrophobicContact CG1-CH2 3.79Å; V332-W351 HydrophobicContact CG1-CZ2 3.82Å; V332-L392 HydrophobicContact CG2-CD1 3.94Å; V332-V395 HydrophobicContact CB-CG1 4.09Å; V332-V395 HydrophobicContact CG1-CG1 4.05Å; V332-V395 HydrophobicContact CG2-CG1 4.22Å; V332-C396 VanDerWaalsContact CG2-SG 3.51Å; V332-H399 HydrophobicContact CG1-CB 3.96Å
333	Y	92.7	Very high	86.4	Confident	21 Å²	21	43.3 Å²	43.3	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	179.2	-176.4	86.8	-60.4	0	0	0	112.1	V315 G335 G336 L338 R348 W351	V315-Y333 HydrophobicContact CG2-CG 4.42Å; Y333-G335 VanDerWaalsContact CZ-CA 3.49Å; Y333-G335 PolarHBondContact O-N 3.32Å; Y333-G336 WeakPolarHBondContact CD1-O 3.41Å; Y333-G336 PolarHBondContact N-O 3.01Å; Y333-G336 VanDerWaalsContact N-O 3.1Å; Y333-G336 PolarHBondContact O-N 3.26Å; Y333-L338 HydrophobicContact CD1-CD1 3.92Å; Y333-L338 HydrophobicContact CD1-CD2 4.12Å; Y333-L338 HydrophobicContact CD1-CG 3.74Å; Y333-L338 HydrophobicContact CE1-CD1 4.1Å; Y333-L338 HydrophobicContact CE1-CD2 3.55Å; Y333-L338 HydrophobicContact CE1-CG 3.73Å; Y333-L338 HydrophobicContact CG-CD1 4.28Å; Y333-R348 PolarHBondContact OH-NE 3.45Å; Y333-R348 PolarHBondContact OH-NH2 2.97Å; Y333-W351 WeakPolarHBondContact O-CZ2 3.3Å; Y333-W351 PolarHBondContact O-NE1 2.8Å; Y333-W351 VanDerWaalsContact O-NE1 3.13Å
334	Y	89.6	Confident	85.2	Confident	77 Å²	77	41.8 Å²	41.8	30%	0.302	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.9	-174.7	81.2	-94.8	0	0	0	114.1	C205 W351	C205-Y334 HydrophobicContact CB-CD1 3.76Å; C205-Y334 HydrophobicContact CB-CD2 3.49Å; C205-Y334 VanDerWaalsContact CB-CD2 3.49Å; C205-Y334 HydrophobicContact CB-CE1 3.66Å; C205-Y334 HydrophobicContact CB-CE2 3.42Å; C205-Y334 VanDerWaalsContact CB-CE2 3.42Å; C205-Y334 HydrophobicContact CB-CG 3.69Å; C205-Y334 PolarHBondContact SG-OH 3.21Å; Y334-W351 PolarHBondContact O-NE1 3.31Å
335	G	85.9	Confident	84.7	Confident	12 Å²	12	39 Å²	39	12%	0.124	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-12.2	-173.3	0	0	0	0	0	115.4	Y333 S350 W351	Y333-G335 VanDerWaalsContact CZ-CA 3.49Å; Y333-G335 PolarHBondContact O-N 3.32Å; G335-S350 WeakPolarHBondContact O-CA 3.34Å; G335-W351 VanDerWaalsContact C-CD1 3.44Å; G335-W351 PolarHBondContact O-N 2.81Å
336	G	90.2	Very high	84.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.7	-148.1	-174.7	0	0	0	0	0	114.8	Y333 I349 W351	Y333-G336 WeakPolarHBondContact CD1-O 3.41Å; Y333-G336 PolarHBondContact N-O 3.01Å; Y333-G336 VanDerWaalsContact N-O 3.1Å; Y333-G336 PolarHBondContact O-N 3.26Å; G336-I349 CarbonylContact C-O 3.55Å; G336-I349 VanDerWaalsContact CA-O 3.25Å; G336-I349 WeakPolarHBondContact CA-O 3.38Å; G336-W351 VanDerWaalsContact CA-CE2 3.42Å; G336-W351 VanDerWaalsContact N-NE1 3.12Å; G336-W351 WeakPolarHBondContact O-CZ2 3.28Å
337	I	92.8	Very high	83.8	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132	174.5	-59.8	172.2	0	0	0	108.5	L330 G331 I349 W351 I354 L357 F364 I366 C396	L330-I337 HydrophobicContact CB-CG2 4.46Å; L330-I337 HydrophobicContact CD2-CG2 3.96Å; G331-I337 CarbonylContact O-C 3.54Å; G331-I337 WeakPolarHBondContact O-CA 3.34Å; I337-I349 PolarHBondContact N-O 3.22Å; I337-I349 PolarHBondContact O-N 3.13Å; I337-W351 HydrophobicContact CD1-CH2 4.24Å; I337-W351 HydrophobicContact CD1-CZ3 3.95Å; I337-W351 HydrophobicContact CG1-CH2 3.74Å; I337-W351 HydrophobicContact CG1-CZ3 3.8Å; I337-I354 HydrophobicContact CD1-CD1 3.85Å; I337-I354 HydrophobicContact CG1-CD1 4.26Å; I337-L357 HydrophobicContact CD1-CD2 4.14Å; I337-F364 HydrophobicContact CD1-CZ 4.46Å; I337-I366 HydrophobicContact CD1-CD1 3.74Å; I337-I366 HydrophobicContact CD1-CG1 4.44Å; I337-I366 HydrophobicContact CG2-CD1 4.28Å; I337-C396 HydrophobicContact CD1-CB 4.5Å
338	L	86.8	Confident	83.6	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.9	178.9	-55.5	178.4	0	0	0	109	V315 L330 G331 Y333 Y340 R348	V315-L338 HydrophobicContact CG1-CD1 4.3Å; V315-L338 HydrophobicContact CG2-CD1 4.07Å; L330-L338 CarbonylContact C-O 3.54Å; L330-L338 VanDerWaalsContact CA-O 3.29Å; L330-L338 WeakPolarHBondContact CA-O 3.16Å; G331-L338 PolarHBondContact N-O 2.78Å; G331-L338 PolarHBondContact O-N 2.9Å; Y333-L338 HydrophobicContact CD1-CD1 3.92Å; Y333-L338 HydrophobicContact CD1-CD2 4.12Å; Y333-L338 HydrophobicContact CD1-CG 3.74Å; Y333-L338 HydrophobicContact CE1-CD1 4.1Å; Y333-L338 HydrophobicContact CE1-CD2 3.55Å; Y333-L338 HydrophobicContact CE1-CG 3.73Å; Y333-L338 HydrophobicContact CG-CD1 4.28Å; L338-Y340 HydrophobicContact CB-CD2 4.19Å; L338-Y340 HydrophobicContact CB-CE2 3.47Å; L338-Y340 VanDerWaalsContact CB-CE2 3.47Å; L338-Y340 HydrophobicContact CD1-CE2 4.07Å; L338-Y340 VanDerWaalsContact CD1-OH 3.29Å; L338-Y340 WeakPolarHBondContact CD1-OH 3.24Å; L338-Y340 HydrophobicContact CG-CE2 4.41Å; L338-R348 HydrophobicContact CD2-CB 3.91Å; L338-R348 HydrophobicContact CD2-CG 3.76Å
339	L	86	Confident	83.4	Confident	17 Å²	17	41.8 Å²	41.8	9%	0.089	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.6	174.1	-169.7	76.1	0	0	0	108.6	I328 L330 R345 L346 M347 F381	I328-L339 HydrophobicContact CB-CD1 4.43Å; I328-L339 HydrophobicContact CD1-CD1 3.55Å; L330-L339 HydrophobicContact CD2-CD1 3.43Å; L330-L339 VanDerWaalsContact CD2-CD1 3.43Å; L330-L339 HydrophobicContact CG-CD1 4.45Å; L339-R345 CarbonylContact O-C 3.53Å; L339-L346 HydrophobicContact CD2-CB 4.29Å; L339-L346 HydrophobicContact CD2-CD1 4.3Å; L339-L346 PolarHBondContact O-N 2.88Å; L339-M347 HydrophobicContact CB-CB 4.07Å; L339-M347 HydrophobicContact CB-CE 4.31Å; L339-M347 HydrophobicContact CD2-CB 4.45Å; L339-M347 HydrophobicContact CD2-CE 4.08Å; L339-M347 PolarHBondContact N-O 3.41Å; L339-M347 PolarHBondContact O-N 3.43Å; L339-F381 HydrophobicContact CD1-CE1 3.76Å; L339-F381 HydrophobicContact CD1-CZ 3.98Å
340	Y	79.9	Confident	83.3	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.3	175.8	-65	-93.6	0	0	0	110	L312 L317 I328 T329 L338 I344 R345	L312-Y340 HydrophobicContact CD2-CE1 4.38Å; L312-Y340 WeakPolarHBondContact CD2-OH 3.35Å; L317-Y340 HydrophobicContact CD2-CD2 4.19Å; L317-Y340 HydrophobicContact CD2-CE2 4.14Å; I328-Y340 CarbonylContact C-O 3.56Å; I328-Y340 WeakPolarHBondContact CA-O 3.24Å; I328-Y340 WeakPolarHBondContact CB-O 3.29Å; T329-Y340 PolarHBondContact N-O 2.82Å; T329-Y340 PolarHBondContact O-N 3Å; L338-Y340 HydrophobicContact CB-CD2 4.19Å; L338-Y340 HydrophobicContact CB-CE2 3.47Å; L338-Y340 VanDerWaalsContact CB-CE2 3.47Å; L338-Y340 HydrophobicContact CD1-CE2 4.07Å; L338-Y340 VanDerWaalsContact CD1-OH 3.29Å; L338-Y340 WeakPolarHBondContact CD1-OH 3.24Å; L338-Y340 HydrophobicContact CG-CE2 4.41Å; Y340-I344 VanDerWaalsContact CA-O 3.3Å; Y340-I344 WeakPolarHBondContact CA-O 3.33Å; Y340-R345 HydrophobicContact CD1-CB 3.96Å; Y340-R345 HydrophobicContact CE1-CB 3.64Å; Y340-R345 HydrophobicContact CE1-CG 4.23Å
341	R	78.8	Confident	83	Confident	112 Å²	112	43 Å²	43	42%	0.423	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.8	161.8	-179.4	180	-179.6	178.6	-0.8	106.7	I328 R343 I344 L346	I328-R341 HydrophobicContact CG2-CB 4.24Å; R341-R343 PolarHBondContact O-N 2.94Å; R341-I344 PolarHBondContact N-O 2.79Å; R341-I344 PolarHBondContact O-N 2.94Å; R341-L346 HydrophobicContact CB-CD1 3.36Å; R341-L346 HydrophobicContact CB-CD2 4.16Å; R341-L346 HydrophobicContact CB-CG 3.77Å; R341-L346 HydrophobicContact CG-CD1 4.46Å
342	N	72.8	Confident	82.6	Confident	103 Å²	103	46.2 Å²	46.2	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	-141.7	-163.1	-54	-25.8	0	0	0	109.9	I344 W468	N342-I344 PolarHBondContact O-N 3.33Å; N342-W468 HydrophobicContact CB-CH2 3.7Å; N342-W468 HydrophobicContact CB-CZ2 4.47Å; N342-W468 WeakPolarHBondContact O-CH2 3.39Å; N342-W468 WeakPolarHBondContact O-CZ2 3.39Å
343	R	66.7	Low	82.1	Confident	51 Å²	51	51 Å²	51	19%	0.192	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	13.1	-173.9	-65.3	-176.9	-178.6	160.4	2.6	113.1	R341 W468 F469 L850	R341-R343 PolarHBondContact O-N 2.94Å; R343-W468 VanDerWaalsContact CA-CZ2 3.4Å; R343-W468 HydrophobicContact CB-CH2 4.3Å; R343-W468 HydrophobicContact CB-CZ2 3.82Å; R343-W468 HydrophobicContact CG-CH2 3.49Å; R343-W468 VanDerWaalsContact CG-CH2 3.49Å; R343-W468 HydrophobicContact CG-CZ2 3.1Å; R343-W468 VanDerWaalsContact CZ-O 3.29Å; R343-W468 PolarHBondContact NE-O 3.39Å; R343-W468 PolarHBondContact NH2-O 3.27Å; R343-F469 HydrophobicContact CB-CD1 4.21Å; R343-F469 HydrophobicContact CB-CE1 3.75Å; R343-F469 HydrophobicContact CG-CD1 3.78Å; R343-F469 HydrophobicContact CG-CE1 3.74Å; R343-L850 HydrophobicContact CB-CD1 4.03Å; R343-L850 WeakPolarHBondContact O-CD1 3.39Å
344	I	58.8	Low	81.8	Confident	76 Å²	76	50.2 Å²	50.2	39%	0.39	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125	-171.9	-58.7	164.5	0	0	0	108.2	Y340 R341 N342 L346 N865	Y340-I344 VanDerWaalsContact CA-O 3.3Å; Y340-I344 WeakPolarHBondContact CA-O 3.33Å; R341-I344 PolarHBondContact N-O 2.79Å; R341-I344 PolarHBondContact O-N 2.94Å; N342-I344 PolarHBondContact O-N 3.33Å; I344-L346 HydrophobicContact CG2-CD2 4.43Å; I344-L346 PolarHBondContact O-N 2.71Å; I344-N865 WeakPolarHBondContact CD1-ND2 3.41Å
345	R	76.7	Confident	81.7	Confident	97 Å²	97	50.9 Å²	50.9	37%	0.366	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	112.9	169.6	-176.8	176.2	66.7	-158.1	-1.4	107.9	L339 Y340 E846	L339-R345 CarbonylContact O-C 3.53Å; Y340-R345 HydrophobicContact CD1-CB 3.96Å; Y340-R345 HydrophobicContact CE1-CB 3.64Å; Y340-R345 HydrophobicContact CE1-CG 4.23Å; R345-E846 IonicContact CZ-OE1 3.97Å; R345-E846 IonicContact NH1-OE1 2.79Å; R345-E846 PolarHBondContact NH1-OE1 3.07Å; R345-E846 IonicContact NH2-OE1 3.3Å; R345-E846 PolarHBondContact NH2-OE1 2.85Å
346	L	75.3	Confident	81.8	Confident	96 Å²	96	53 Å²	53	50%	0.503	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-37.8	177.7	-63.8	-173.7	0	0	0	112.5	L339 R341 I344	L339-L346 HydrophobicContact CD2-CB 4.29Å; L339-L346 HydrophobicContact CD2-CD1 4.3Å; L339-L346 PolarHBondContact O-N 2.88Å; R341-L346 HydrophobicContact CB-CD1 3.36Å; R341-L346 HydrophobicContact CB-CD2 4.16Å; R341-L346 HydrophobicContact CB-CG 3.77Å; R341-L346 HydrophobicContact CG-CD1 4.46Å; I344-L346 HydrophobicContact CG2-CD2 4.43Å; I344-L346 PolarHBondContact O-N 2.71Å
347	M	78.4	Confident	82	Confident	42 Å²	42	54.1 Å²	54.1	21%	0.207	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.4	-171.7	-173.7	-178.2	54	0	0	111.6	L339 I349 M379	L339-M347 HydrophobicContact CB-CB 4.07Å; L339-M347 HydrophobicContact CB-CE 4.31Å; L339-M347 HydrophobicContact CD2-CB 4.45Å; L339-M347 HydrophobicContact CD2-CE 4.08Å; L339-M347 PolarHBondContact N-O 3.41Å; L339-M347 PolarHBondContact O-N 3.43Å; M347-I349 HydrophobicContact CE-CD1 3.7Å; M347-I349 HydrophobicContact CE-CG1 3.75Å; M347-I349 HydrophobicContact SD-CG1 4.27Å; M347-M379 HydrophobicContact CE-CE 3.49Å; M347-M379 VanDerWaalsContact CE-CE 3.49Å; M347-M379 HydrophobicContact CE-SD 3.68Å
348	R	84.4	Confident	82.1	Confident	136 Å²	136	56.3 Å²	56.3	51%	0.513	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.1	170.4	174.7	-176.7	179.4	-157	5	110.5	Y333 L338	Y333-R348 PolarHBondContact OH-NE 3.45Å; Y333-R348 PolarHBondContact OH-NH2 2.97Å; L338-R348 HydrophobicContact CD2-CB 3.91Å; L338-R348 HydrophobicContact CD2-CG 3.76Å
349	I	85.9	Confident	82.4	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	106.4	174.2	-51	170.6	0	0	0	108.2	G336 I337 M347 I354 I366 R368 M379	G336-I349 CarbonylContact C-O 3.55Å; G336-I349 VanDerWaalsContact CA-O 3.25Å; G336-I349 WeakPolarHBondContact CA-O 3.38Å; I337-I349 PolarHBondContact N-O 3.22Å; I337-I349 PolarHBondContact O-N 3.13Å; M347-I349 HydrophobicContact CE-CD1 3.7Å; M347-I349 HydrophobicContact CE-CG1 3.75Å; M347-I349 HydrophobicContact SD-CG1 4.27Å; I349-I354 HydrophobicContact CG2-CD1 3.93Å; I349-I354 HydrophobicContact CG2-CG1 3.61Å; I349-I366 HydrophobicContact CD1-CD1 4.08Å; I349-R368 HydrophobicContact CG2-CG 4.28Å; I349-M379 HydrophobicContact CD1-SD 3.78Å
350	S	87.2	Confident	82.8	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147	-179.4	65.4	0	0	0	0	112.3	G335 P352 R353	G335-S350 WeakPolarHBondContact O-CA 3.34Å; S350-P352 VanDerWaalsContact C-N 3.28Å; S350-R353 PolarHBondContact O-N 3.34Å; S350-R353 WeakPolarHBondContact OG-CG 3.31Å
351	W	88.3	Confident	83.5	Confident	8 Å²	8	70.3 Å²	70.3	3%	0.03	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-50.1	-41	177.8	-66.2	128	0	0	0	113.8	V332 Y333 Y334 G335 G336 I337 R353 I354 L357 C396 H399 H400 R404	V332-W351 HydrophobicContact CG1-CH2 3.79Å; V332-W351 HydrophobicContact CG1-CZ2 3.82Å; Y333-W351 WeakPolarHBondContact O-CZ2 3.3Å; Y333-W351 PolarHBondContact O-NE1 2.8Å; Y333-W351 VanDerWaalsContact O-NE1 3.13Å; Y334-W351 PolarHBondContact O-NE1 3.31Å; G335-W351 VanDerWaalsContact C-CD1 3.44Å; G335-W351 PolarHBondContact O-N 2.81Å; G336-W351 VanDerWaalsContact CA-CE2 3.42Å; G336-W351 VanDerWaalsContact N-NE1 3.12Å; G336-W351 WeakPolarHBondContact O-CZ2 3.28Å; I337-W351 HydrophobicContact CD1-CH2 4.24Å; I337-W351 HydrophobicContact CD1-CZ3 3.95Å; I337-W351 HydrophobicContact CG1-CH2 3.74Å; I337-W351 HydrophobicContact CG1-CZ3 3.8Å; W351-R353 VanDerWaalsContact C-N 3.31Å; W351-R353 PolarHBondContact O-N 3.22Å; W351-I354 HydrophobicContact CE3-CD1 3.72Å; W351-I354 HydrophobicContact CZ3-CD1 3.91Å; W351-I354 PolarHBondContact O-N 2.91Å; W351-L357 HydrophobicContact CZ3-CD1 4.44Å; W351-C396 HydrophobicContact CH2-CB 4.3Å; W351-H399 HydrophobicContact CH2-CB 4.06Å; W351-H399 HydrophobicContact CZ2-CB 3.53Å; W351-H400 HydrophobicContact CD2-CB 4.24Å; W351-H400 HydrophobicContact CE3-CB 3.87Å; W351-H400 AromaticContact CE3-CD2 3.69Å; W351-H400 HydrophobicContact CZ3-CB 4.05Å; W351-R404 PolarHBondContact O-NH1 3.22Å
352	P	83.5	Confident	84.4	Confident	68 Å²	68	70.7 Å²	70.7	44%	0.442	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-60.6	-31.7	177.2	-27.1	37.8	0	0	0	115.4	S350 I354 R369	S350-P352 VanDerWaalsContact C-N 3.28Å; P352-I354 VanDerWaalsContact C-N 3.32Å; P352-R369 PolarHBondContact O-NE 3.35Å
353	R	84.4	Confident	85.5	Confident	101 Å²	101	68.8 Å²	68.8	38%	0.381	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-77.8	-15.7	-179.6	-70.4	-176.1	80.9	168	5.3	113	S350 W351 R368 R369 D373	S350-R353 PolarHBondContact O-N 3.34Å; S350-R353 WeakPolarHBondContact OG-CG 3.31Å; W351-R353 VanDerWaalsContact C-N 3.31Å; W351-R353 PolarHBondContact O-N 3.22Å; R353-R368 CarbonylContact O-C 3.49Å; R353-R368 WeakPolarHBondContact O-CA 3.27Å; R353-R369 PolarHBondContact O-N 3.21Å; R353-D373 IonicContact NH2-OD2 2.8Å
354	I	86.5	Confident	86.9	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.1	178.5	-60.9	170	0	0	0	109.5	I337 I349 W351 P352 L357 I366	I337-I354 HydrophobicContact CD1-CD1 3.85Å; I337-I354 HydrophobicContact CG1-CD1 4.26Å; I349-I354 HydrophobicContact CG2-CD1 3.93Å; I349-I354 HydrophobicContact CG2-CG1 3.61Å; W351-I354 HydrophobicContact CE3-CD1 3.72Å; W351-I354 HydrophobicContact CZ3-CD1 3.91Å; W351-I354 PolarHBondContact O-N 2.91Å; P352-I354 VanDerWaalsContact C-N 3.32Å; I354-L357 HydrophobicContact CG2-CD2 3.82Å; I354-L357 HydrophobicContact CG2-CG 3.95Å; I354-I366 HydrophobicContact CD1-CG2 4.29Å; I354-I366 HydrophobicContact CG1-CG2 4.01Å; I354-I366 HydrophobicContact CG2-CG2 4.19Å
355	I	86	Confident	88.6	Confident	91 Å²	91	64.7 Å²	64.7	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-53.1	174.1	-62.6	178.7	0	0	0	109.9	A367 R368 R369	I355-A367 PolarHBondContact N-O 2.93Å; I355-R368 WeakPolarHBondContact CD1-O 3.3Å; I355-R369 HydrophobicContact CD1-CB 4.38Å; I355-R369 HydrophobicContact CD1-CG 3.86Å; I355-R369 HydrophobicContact CG1-CB 4.31Å; I355-R369 HydrophobicContact CG1-CG 3.45Å; I355-R369 VanDerWaalsContact CG1-CG 3.45Å
356	S	89.4	Confident	89.4	Confident	56 Å²	56	60.1 Å²	60.1	39%	0.392	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.6	-176.8	63.9	0	0	0	0	111.3	A367	S356-A367 PolarHBondContact N-O 3.45Å; S356-A367 PolarHBondContact O-N 2.95Å; S356-A367 WeakPolarHBondContact OG-CB 3.48Å
357	L	93.3	Very high	90	Very high	24 Å²	24	56.1 Å²	56.1	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.6	169.4	-61.8	168.5	0	0	0	107.9	I337 W351 I354 F364 I366 Y393 C396 V397	I337-L357 HydrophobicContact CD1-CD2 4.14Å; W351-L357 HydrophobicContact CZ3-CD1 4.44Å; I354-L357 HydrophobicContact CG2-CD2 3.82Å; I354-L357 HydrophobicContact CG2-CG 3.95Å; L357-F364 HydrophobicContact CD2-CE2 4.45Å; L357-F364 HydrophobicContact CD2-CZ 3.92Å; L357-I366 HydrophobicContact CD2-CG1 4.14Å; L357-I366 HydrophobicContact CD2-CG2 4.23Å; L357-Y393 HydrophobicContact CB-CD2 4.16Å; L357-Y393 HydrophobicContact CB-CE2 4.03Å; L357-Y393 WeakPolarHBondContact O-CE2 3.33Å; L357-C396 HydrophobicContact CD1-CB 3.57Å; L357-V397 HydrophobicContact CD1-CG2 4.29Å
358	S	94.3	Very high	90.3	Very high	48 Å²	48	55.1 Å²	55.1	34%	0.336	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.2	173.9	62.7	0	0	0	0	111.5	I365	S358-I365 PolarHBondContact N-O 3.13Å; S358-I365 PolarHBondContact O-N 2.97Å
359	H	94.6	Very high	90.1	Very high	69 Å²	69	55 Å²	55	32%	0.319	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.1	171.3	77.1	96.7	0	0	0	110.7	N363 Y393	H359-N363 CarbonylContact C-O 3.57Å; H359-N363 VanDerWaalsContact CA-O 3.25Å; H359-N363 WeakPolarHBondContact CA-O 3.25Å; H359-Y393 HydrophobicContact CB-CG 4.45Å; H359-Y393 AromaticContact CD2-CD1 3.51Å; H359-Y393 AromaticContact CD2-CG 3.54Å
360	R	94.1	Very high	89.2	Confident	209 Å²	209	59.6 Å²	59.6	79%	0.789	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	115.2	175.1	-171.6	179	-178.3	-174.4	0.8	110	R362 N363	R360-R362 PolarHBondContact O-N 3.35Å; R360-N363 PolarHBondContact N-O 2.83Å; R360-N363 PolarHBondContact O-N 2.75Å
361	G	95.2	Very high	88	Confident	47 Å²	47	60.2 Å²	60.2	49%	0.485	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-121.1	-173.3	0	0	0	0	0	110.5	P386	G361-P386 VanDerWaalsContact O-CA 3.32Å; G361-P386 WeakPolarHBondContact O-CA 3.14Å; G361-P386 WeakPolarHBondContact O-CB 3.43Å
362	R	95.9	Very high	86.1	Confident	120 Å²	120	68.2 Å²	68.2	45%	0.453	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.7	176.6	-70.5	-168.4	-75.7	174.4	-6.9	114.4	R360 K382 C383 I384 P386	R360-R362 PolarHBondContact O-N 3.35Å; R362-K382 HydrophobicContact CB-CG 4.42Å; R362-C383 PolarHBondContact O-N 2.82Å; R362-I384 WeakPolarHBondContact CD-O 3.45Å; R362-P386 HydrophobicContact CG-CG 3.92Å
363	N	96.5	Very high	84.7	Confident	63 Å²	63	69.1 Å²	69.1	34%	0.337	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.9	-173.6	-62.5	-14.3	0	0	0	110.6	H359 R360 T380 F381	H359-N363 CarbonylContact C-O 3.57Å; H359-N363 VanDerWaalsContact CA-O 3.25Å; H359-N363 WeakPolarHBondContact CA-O 3.25Å; R360-N363 PolarHBondContact N-O 2.83Å; R360-N363 PolarHBondContact O-N 2.75Å; N363-T380 HydrophobicContact CB-CG2 4.01Å; N363-F381 CarbonylContact C-O 3.42Å; N363-F381 WeakPolarHBondContact CA-O 3.3Å
364	F	96.8	Very high	83.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132	167	175.6	-110.1	0	0	0	108.8	L330 I337 L357 I366 F381 L392 Y393 C396	L330-F364 HydrophobicContact CD1-CD1 4.01Å; L330-F364 HydrophobicContact CD1-CE1 4.17Å; I337-F364 HydrophobicContact CD1-CZ 4.46Å; L357-F364 HydrophobicContact CD2-CE2 4.45Å; L357-F364 HydrophobicContact CD2-CZ 3.92Å; F364-I366 HydrophobicContact CD1-CG1 4.22Å; F364-I366 HydrophobicContact CE1-CD1 3.82Å; F364-I366 HydrophobicContact CE1-CG1 3.55Å; F364-I366 HydrophobicContact CZ-CG1 4.07Å; F364-F381 HydrophobicContact CD1-CD2 4.12Å; F364-F381 PolarHBondContact N-O 2.83Å; F364-F381 PolarHBondContact O-N 2.77Å; F364-L392 HydrophobicContact CB-CD2 4.1Å; F364-L392 HydrophobicContact CD1-CD2 3.6Å; F364-L392 HydrophobicContact CD1-CG 4.16Å; F364-L392 HydrophobicContact CD2-CD2 4.29Å; F364-L392 HydrophobicContact CD2-CG 4.2Å; F364-L392 HydrophobicContact CE1-CD2 4.02Å; F364-L392 HydrophobicContact CE1-CG 4.19Å; F364-L392 HydrophobicContact CE2-CG 4.25Å; F364-L392 HydrophobicContact CG-CD2 3.74Å; F364-L392 HydrophobicContact CG-CG 4.15Å; F364-L392 HydrophobicContact CZ-CG 4.23Å; F364-Y393 HydrophobicContact CE2-CD2 4.44Å; F364-C396 HydrophobicContact CZ-CB 4.27Å
365	I	94.4	Very high	81.9	Confident	41 Å²	41	75.2 Å²	75.2	21%	0.21	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.9	-170.3	-53.7	168.8	0	0	0	109.8	S358 M379 T380	S358-I365 PolarHBondContact N-O 3.13Å; S358-I365 PolarHBondContact O-N 2.97Å; I365-M379 WeakPolarHBondContact CA-O 3.16Å; I365-T380 HydrophobicContact CG1-CG2 4.13Å
366	I	92.6	Very high	80.9	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.7	175	-50.2	178.1	0	0	0	108.6	I337 I349 I354 L357 F364 R368 N378 M379 F381	I337-I366 HydrophobicContact CD1-CD1 3.74Å; I337-I366 HydrophobicContact CD1-CG1 4.44Å; I337-I366 HydrophobicContact CG2-CD1 4.28Å; I349-I366 HydrophobicContact CD1-CD1 4.08Å; I354-I366 HydrophobicContact CD1-CG2 4.29Å; I354-I366 HydrophobicContact CG1-CG2 4.01Å; I354-I366 HydrophobicContact CG2-CG2 4.19Å; L357-I366 HydrophobicContact CD2-CG1 4.14Å; L357-I366 HydrophobicContact CD2-CG2 4.23Å; F364-I366 HydrophobicContact CD1-CG1 4.22Å; F364-I366 HydrophobicContact CE1-CD1 3.82Å; F364-I366 HydrophobicContact CE1-CG1 3.55Å; F364-I366 HydrophobicContact CZ-CG1 4.07Å; I366-R368 HydrophobicContact CG2-CG 4.26Å; I366-N378 WeakPolarHBondContact O-CA 3.04Å; I366-M379 HydrophobicContact CB-CB 4.47Å; I366-M379 PolarHBondContact N-O 2.71Å; I366-M379 PolarHBondContact O-N 3.04Å; I366-F381 HydrophobicContact CD1-CD2 4.34Å; I366-F381 HydrophobicContact CD1-CE2 3.75Å; I366-F381 HydrophobicContact CG1-CE2 4.22Å
367	A	89.4	Confident	80.4	Confident	12 Å²	12	82.2 Å²	82.2	10%	0.099	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.1	170.4	0	0	0	0	0	109.9	I355 S356 N378	I355-A367 PolarHBondContact N-O 2.93Å; S356-A367 PolarHBondContact N-O 3.45Å; S356-A367 PolarHBondContact O-N 2.95Å; S356-A367 WeakPolarHBondContact OG-CB 3.48Å; A367-N378 WeakPolarHBondContact CB-OD1 3.45Å
368	R	84.6	Confident	80.1	Confident	21 Å²	21	85.4 Å²	85.4	8%	0.079	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	154.5	-179.4	-62.6	-173.7	-63.6	175.6	-1.3	111.1	I349 R353 I355 I366 L375 D376 R377	I349-R368 HydrophobicContact CG2-CG 4.28Å; R353-R368 CarbonylContact O-C 3.49Å; R353-R368 WeakPolarHBondContact O-CA 3.27Å; I355-R368 WeakPolarHBondContact CD1-O 3.3Å; I366-R368 HydrophobicContact CG2-CG 4.26Å; R368-L375 VanDerWaalsContact NH2-CB 3.27Å; R368-D376 PolarHBondContact NH2-O 2.89Å; R368-R377 PolarHBondContact N-O 3.25Å
369	R	79.4	Confident	79.8	Confident	134 Å²	134	84.8 Å²	84.8	51%	0.506	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-64.1	138.5	167.5	-73	-177.4	-168.3	177.3	1.8	109.9	P352 R353 I355 G371	P352-R369 PolarHBondContact O-NE 3.35Å; R353-R369 PolarHBondContact O-N 3.21Å; I355-R369 HydrophobicContact CD1-CB 4.38Å; I355-R369 HydrophobicContact CD1-CG 3.86Å; I355-R369 HydrophobicContact CG1-CB 4.31Å; I355-R369 HydrophobicContact CG1-CG 3.45Å; I355-R369 VanDerWaalsContact CG1-CG 3.45Å; R369-G371 PolarHBondContact O-N 3.46Å
370	P	67.3	Low	79.8	Confident	104 Å²	104	84 Å²	84	68%	0.675	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-59	131.7	167.6	24.1	-29.2	0	0	0	108.9
371	G	62.3	Low	79.8	Confident	46 Å²	46	74.4 Å²	74.4	47%	0.474	40%	0.404	S	S	.	.			trans	-128.6	-177.5	170.1	0	0	0	0	0	109.2	R369 D373	R369-G371 PolarHBondContact O-N 3.46Å; G371-D373 PolarHBondContact O-N 3.1Å
372	D	47.8	Very low	79.9	Confident	176 Å²	176	76.6 Å²	76.6	94%	0.941	40%	0.401	S	S	*	.	S	Bend	trans	-66.7	-14.8	-178.7	-74.7	-31	0	0	0	113.7
373	D	54.1	Low	79.8	Confident	87 Å²	87	71.2 Å²	71.2	47%	0.465	38%	0.381	S	S	.	.	S	Bend	trans	-83.9	135.2	179.9	-44.6	-42.8	0	0	0	111.9	R353 G371 L375	R353-D373 IonicContact NH2-OD2 2.8Å; G371-D373 PolarHBondContact O-N 3.1Å; D373-L375 HydrophobicContact CB-CD1 4.3Å; D373-L375 HydrophobicContact CB-CG 4.5Å; D373-L375 PolarHBondContact O-N 3.43Å
374	S	54.8	Low	79.6	Confident	131 Å²	131	74 Å²	74	92%	0.916	40%	0.395	S	S	*	.			trans	-63.6	15.4	-178.8	58.8	0	0	0	0	116.3
375	L	57.1	Low	79.4	Confident	100 Å²	100	75.6 Å²	75.6	52%	0.524	41%	0.406	S	S	.	.			trans	-81.9	144.1	-173.7	-66.8	163.4	0	0	0	112.7	R368 D373 R377	R368-L375 VanDerWaalsContact NH2-CB 3.27Å; D373-L375 HydrophobicContact CB-CD1 4.3Å; D373-L375 HydrophobicContact CB-CG 4.5Å; D373-L375 PolarHBondContact O-N 3.43Å; L375-R377 PolarHBondContact O-N 3.5Å
376	D	65.2	Low	79.4	Confident	129 Å²	129	77 Å²	77	69%	0.69	42%	0.418	S	S	*	.			trans	-48.8	127.7	-178.3	-81.5	-32.8	0	0	0	113.4	R368 N378	R368-D376 PolarHBondContact NH2-O 2.89Å; D376-N378 PolarHBondContact O-N 3.08Å
377	R	79	Confident	79.4	Confident	166 Å²	166	80.9 Å²	80.9	63%	0.626	44%	0.442	S	S	*	.	S	Bend	trans	-59.5	-34.7	179.5	-174.9	177.7	177.2	-177.2	-0.1	112.7	R368 L375	R368-R377 PolarHBondContact N-O 3.25Å; L375-R377 PolarHBondContact O-N 3.5Å
378	N	86.4	Confident	79.6	Confident	91 Å²	91	81.8 Å²	81.8	49%	0.487	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121	-178.6	-68.3	-17.7	0	0	0	110.2	I366 A367 D376	I366-N378 WeakPolarHBondContact O-CA 3.04Å; A367-N378 WeakPolarHBondContact CB-OD1 3.45Å; D376-N378 PolarHBondContact O-N 3.08Å
379	M	89.6	Confident	80.1	Confident	35 Å²	35	80.8 Å²	80.8	17%	0.172	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.4	174.7	-60.4	-173.5	77.1	0	0	109.8	M347 I349 I365 I366 F381	M347-M379 HydrophobicContact CE-CE 3.49Å; M347-M379 VanDerWaalsContact CE-CE 3.49Å; M347-M379 HydrophobicContact CE-SD 3.68Å; I349-M379 HydrophobicContact CD1-SD 3.78Å; I365-M379 WeakPolarHBondContact CA-O 3.16Å; I366-M379 HydrophobicContact CB-CB 4.47Å; I366-M379 PolarHBondContact N-O 2.71Å; I366-M379 PolarHBondContact O-N 3.04Å; M379-F381 HydrophobicContact CB-CE2 3.76Å; M379-F381 HydrophobicContact CB-CZ 4Å; M379-F381 HydrophobicContact CE-CE1 4.38Å; M379-F381 HydrophobicContact CE-CE2 4.46Å; M379-F381 HydrophobicContact CE-CZ 3.64Å; M379-F381 HydrophobicContact SD-CZ 4.37Å
380	T	93.5	Very high	80.8	Confident	53 Å²	53	79.6 Å²	79.6	33%	0.325	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.1	179.4	-58.3	0	0	0	0	110.6	N363 I365	N363-T380 HydrophobicContact CB-CG2 4.01Å; I365-T380 HydrophobicContact CG1-CG2 4.13Å
381	F	94.9	Very high	82	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.026	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.8	-179.6	-58.6	-72.1	0	0	0	110.2	V320 K321 I328 L330 L339 N363 F364 I366 M379	V320-F381 HydrophobicContact CB-CB 4.06Å; V320-F381 HydrophobicContact CG1-CB 4.46Å; V320-F381 HydrophobicContact CG2-CB 3.82Å; V320-F381 HydrophobicContact CG2-CD1 3.93Å; V320-F381 HydrophobicContact CG2-CG 4.11Å; K321-F381 CarbonylContact O-C 3.54Å; K321-F381 WeakPolarHBondContact O-CA 3.37Å; I328-F381 HydrophobicContact CD1-CD1 3.38Å; I328-F381 HydrophobicContact CD1-CE1 3.37Å; L330-F381 HydrophobicContact CD1-CB 4.24Å; L330-F381 HydrophobicContact CD1-CD1 4.47Å; L330-F381 HydrophobicContact CD1-CD2 3.82Å; L330-F381 HydrophobicContact CD1-CE2 4.25Å; L330-F381 HydrophobicContact CD1-CG 3.91Å; L330-F381 HydrophobicContact CD2-CE1 4.33Å; L330-F381 HydrophobicContact CD2-CE2 4.17Å; L330-F381 HydrophobicContact CD2-CZ 4.04Å; L339-F381 HydrophobicContact CD1-CE1 3.76Å; L339-F381 HydrophobicContact CD1-CZ 3.98Å; N363-F381 CarbonylContact C-O 3.42Å; N363-F381 WeakPolarHBondContact CA-O 3.3Å; F364-F381 HydrophobicContact CD1-CD2 4.12Å; F364-F381 PolarHBondContact N-O 2.83Å; F364-F381 PolarHBondContact O-N 2.77Å; I366-F381 HydrophobicContact CD1-CD2 4.34Å; I366-F381 HydrophobicContact CD1-CE2 3.75Å; I366-F381 HydrophobicContact CG1-CE2 4.22Å; M379-F381 HydrophobicContact CB-CE2 3.76Å; M379-F381 HydrophobicContact CB-CZ 4Å; M379-F381 HydrophobicContact CE-CE1 4.38Å; M379-F381 HydrophobicContact CE-CE2 4.46Å; M379-F381 HydrophobicContact CE-CZ 3.64Å; M379-F381 HydrophobicContact SD-CZ 4.37Å
382	K	96.2	Very high	83.6	Confident	94 Å²	94	73.4 Å²	73.4	41%	0.409	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.6	-178	-171.7	176.4	-178	179.8	0	110.3	V320 K321 R362	V320-K382 CarbonylContact C-O 3.54Å; V320-K382 WeakPolarHBondContact CA-O 3.13Å; K321-K382 HydrophobicContact CB-CB 4.41Å; K321-K382 PolarHBondContact N-O 3.3Å; K321-K382 PolarHBondContact O-N 3.23Å; R362-K382 HydrophobicContact CB-CG 4.42Å
383	C	94.1	Very high	85.9	Confident	7 Å²	7	68.2 Å²	68.2	5%	0.047	36%	0.356	C	S	.	.			trans	-82.9	164.3	173.5	-55.7	0	0	0	0	111.1	R362 L388 A389	R362-C383 PolarHBondContact O-N 2.82Å; C383-L388 HydrophobicContact CB-CB 4.48Å; C383-A389 HydrophobicContact CB-CB 3.97Å
384	I	91.7	Very high	87.8	Confident	121 Å²	121	66.2 Å²	66.2	62%	0.621	35%	0.345	S	S	*	.	S	Bend	trans	-62.4	-47	178.6	-62	169.6	0	0	0	110.8	R362 L388	R362-I384 WeakPolarHBondContact CD-O 3.45Å; I384-L388 HydrophobicContact CB-CD1 4.16Å
385	S	92.7	Very high	89.6	Confident	34 Å²	34	60.1 Å²	60.1	24%	0.238	30%	0.302	C	S	.	.	S	Bend	trans	-131.2	157.6	-178.3	76.9	0	0	0	0	112.5	T387 L388 A389	S385-T387 PolarHBondContact O-N 2.89Å; S385-L388 PolarHBondContact O-N 3.05Å; S385-L388 WeakPolarHBondContact OG-CG 3.28Å; S385-L388 PolarHBondContact OG-N 2.98Å; S385-L388 VanDerWaalsContact OG-N 3.16Å; S385-A389 PolarHBondContact O-N 3.23Å; S385-A389 VanDerWaalsContact O-N 3.08Å
386	P	94.5	Very high	91.4	Very high	70 Å²	70	55.3 Å²	55.3	46%	0.455	28%	0.277	S	S	.	.	H	α-helix	trans	-60.8	-32.4	173.5	-22.7	34.1	0	0	0	113.2	G361 R362 A389 K390	G361-P386 VanDerWaalsContact O-CA 3.32Å; G361-P386 WeakPolarHBondContact O-CA 3.14Å; G361-P386 WeakPolarHBondContact O-CB 3.43Å; R362-P386 HydrophobicContact CG-CG 3.92Å; P386-A389 PolarHBondContact O-N 3.26Å; P386-K390 PolarHBondContact O-N 3.37Å
387	T	92.7	Very high	92.7	Very high	82 Å²	82	50.9 Å²	50.9	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.3	-48.6	0	0	0	0	111.2	F177 S385 K390 R391	F177-T387 HydrophobicContact CE1-CG2 3.83Å; F177-T387 HydrophobicContact CZ-CG2 3.77Å; S385-T387 PolarHBondContact O-N 2.89Å; T387-K390 PolarHBondContact O-N 3.42Å; T387-R391 PolarHBondContact O-N 3.34Å
388	L	93.2	Very high	93.3	Very high	30 Å²	30	45 Å²	45	16%	0.157	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-35.1	176.9	-69.5	174.9	0	0	0	112.4	C383 I384 S385 K390 R391 L392	C383-L388 HydrophobicContact CB-CB 4.48Å; I384-L388 HydrophobicContact CB-CD1 4.16Å; S385-L388 PolarHBondContact O-N 3.05Å; S385-L388 WeakPolarHBondContact OG-CG 3.28Å; S385-L388 PolarHBondContact OG-N 2.98Å; S385-L388 VanDerWaalsContact OG-N 3.16Å; L388-K390 VanDerWaalsContact C-N 3.32Å; L388-K390 PolarHBondContact O-N 2.89Å; L388-R391 PolarHBondContact O-N 3.01Å; L388-L392 WeakPolarHBondContact O-CB 3.3Å; L388-L392 PolarHBondContact O-N 2.84Å
389	A	95.2	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-41.3	171.9	0	0	0	0	0	111.8	C383 S385 P386 Y393	C383-A389 HydrophobicContact CB-CB 3.97Å; S385-A389 PolarHBondContact O-N 3.23Å; S385-A389 VanDerWaalsContact O-N 3.08Å; P386-A389 PolarHBondContact O-N 3.26Å; A389-Y393 WeakPolarHBondContact O-CB 3.36Å; A389-Y393 PolarHBondContact O-N 3.41Å
390	K	94.6	Very high	93.5	Very high	109 Å²	109	41.1 Å²	41.1	47%	0.474	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-40.2	174.1	-172.6	177.9	-179.9	-176.4	0	111.9	P386 T387 L388 Y393 N394	P386-K390 PolarHBondContact O-N 3.37Å; T387-K390 PolarHBondContact O-N 3.42Å; L388-K390 VanDerWaalsContact C-N 3.32Å; L388-K390 PolarHBondContact O-N 2.89Å; K390-Y393 PolarHBondContact O-N 2.88Å; K390-N394 PolarHBondContact O-N 3.12Å; K390-N394 PolarHBondContact O-OD1 3.31Å
391	R	93.7	Very high	93.2	Very high	20 Å²	20	41.9 Å²	41.9	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-53.7	174.5	177.3	-178.3	158.1	-160.4	-20.1	111.1	W176 F177 D316 T387 L388 Y393 N394 V395	W176-R391 VanDerWaalsContact O-CZ 3.27Å; W176-R391 PolarHBondContact O-NE 2.92Å; W176-R391 PolarHBondContact O-NH1 2.99Å; F177-R391 HydrophobicContact CD1-CB 4.25Å; F177-R391 HydrophobicContact CD1-CG 4.17Å; F177-R391 HydrophobicContact CE1-CB 4.01Å; F177-R391 HydrophobicContact CE1-CG 4.31Å; D316-R391 IonicContact OD1-NH2 3.8Å; T387-R391 PolarHBondContact O-N 3.34Å; L388-R391 PolarHBondContact O-N 3.01Å; R391-Y393 VanDerWaalsContact C-N 3.28Å; R391-Y393 PolarHBondContact O-N 3.36Å; R391-N394 PolarHBondContact O-N 3.45Å; R391-V395 HydrophobicContact CG-CG2 4.49Å; R391-V395 WeakPolarHBondContact O-CG2 3.34Å; R391-V395 PolarHBondContact O-N 2.66Å
392	L	94.5	Very high	92.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-42.6	178.5	172.2	58.4	0	0	0	111.5	H318 V320 L330 V332 F364 L388 V395 C396	H318-L392 HydrophobicContact CB-CD1 3.99Å; H318-L392 HydrophobicContact CB-CD2 4.31Å; V320-L392 HydrophobicContact CG1-CD2 4.14Å; L330-L392 HydrophobicContact CD1-CD2 3.88Å; V332-L392 HydrophobicContact CG2-CD1 3.94Å; F364-L392 HydrophobicContact CB-CD2 4.1Å; F364-L392 HydrophobicContact CD1-CD2 3.6Å; F364-L392 HydrophobicContact CD1-CG 4.16Å; F364-L392 HydrophobicContact CD2-CD2 4.29Å; F364-L392 HydrophobicContact CD2-CG 4.2Å; F364-L392 HydrophobicContact CE1-CD2 4.02Å; F364-L392 HydrophobicContact CE1-CG 4.19Å; F364-L392 HydrophobicContact CE2-CG 4.25Å; F364-L392 HydrophobicContact CG-CD2 3.74Å; F364-L392 HydrophobicContact CG-CG 4.15Å; F364-L392 HydrophobicContact CZ-CG 4.23Å; L388-L392 WeakPolarHBondContact O-CB 3.3Å; L388-L392 PolarHBondContact O-N 2.84Å; L392-V395 PolarHBondContact O-N 3.11Å; L392-C396 PolarHBondContact O-N 2.87Å; L392-C396 PolarHBondContact O-SG 3.05Å
393	Y	96	Very high	92.3	Very high	67 Å²	67	40.9 Å²	40.9	26%	0.263	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-51.4	174.8	170.6	-101.4	0	0	0	112.4	L357 H359 F364 A389 K390 R391 V395 C396 V397	L357-Y393 HydrophobicContact CB-CD2 4.16Å; L357-Y393 HydrophobicContact CB-CE2 4.03Å; L357-Y393 WeakPolarHBondContact O-CE2 3.33Å; H359-Y393 HydrophobicContact CB-CG 4.45Å; H359-Y393 AromaticContact CD2-CD1 3.51Å; H359-Y393 AromaticContact CD2-CG 3.54Å; F364-Y393 HydrophobicContact CE2-CD2 4.44Å; A389-Y393 WeakPolarHBondContact O-CB 3.36Å; A389-Y393 PolarHBondContact O-N 3.41Å; K390-Y393 PolarHBondContact O-N 2.88Å; R391-Y393 VanDerWaalsContact C-N 3.28Å; R391-Y393 PolarHBondContact O-N 3.36Å; Y393-V395 VanDerWaalsContact C-N 3.35Å; Y393-V395 PolarHBondContact O-N 3.39Å; Y393-C396 PolarHBondContact O-N 2.78Å; Y393-V397 HydrophobicContact CD1-CG2 4.48Å; Y393-V397 HydrophobicContact CD2-CG2 4.04Å; Y393-V397 HydrophobicContact CE1-CG2 4.07Å; Y393-V397 HydrophobicContact CE2-CG2 3.56Å; Y393-V397 HydrophobicContact CG-CG2 4.48Å; Y393-V397 WeakPolarHBondContact O-CG2 3.18Å; Y393-V397 PolarHBondContact O-N 3.28Å
394	N	93.5	Very high	91.3	Very high	44 Å²	44	44.5 Å²	44.5	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-45.4	179.2	-73.2	0.5	0	0	0	111.4	K390 R391 C396 V397 D398	K390-N394 PolarHBondContact O-N 3.12Å; K390-N394 PolarHBondContact O-OD1 3.31Å; R391-N394 PolarHBondContact O-N 3.45Å; N394-C396 PolarHBondContact O-N 3.38Å; N394-V397 PolarHBondContact O-N 3.01Å; N394-D398 VanDerWaalsContact O-CB 3.32Å; N394-D398 WeakPolarHBondContact O-CB 3.18Å; N394-D398 PolarHBondContact O-N 3.4Å
395	V	94	Very high	89.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-47.3	176.8	170.8	0	0	0	0	111.2	D316 V332 R391 L392 Y393 D398 H399	D316-V395 WeakPolarHBondContact OD2-CG1 3.28Å; V332-V395 HydrophobicContact CB-CG1 4.09Å; V332-V395 HydrophobicContact CG1-CG1 4.05Å; V332-V395 HydrophobicContact CG2-CG1 4.22Å; R391-V395 HydrophobicContact CG-CG2 4.49Å; R391-V395 WeakPolarHBondContact O-CG2 3.34Å; R391-V395 PolarHBondContact O-N 2.66Å; L392-V395 PolarHBondContact O-N 3.11Å; Y393-V395 VanDerWaalsContact C-N 3.35Å; Y393-V395 PolarHBondContact O-N 3.39Å; V395-D398 PolarHBondContact O-N 3.14Å; V395-H399 WeakPolarHBondContact O-CB 3.37Å; V395-H399 PolarHBondContact O-N 3.46Å; V395-H399 PolarHBondContact O-ND1 3.45Å
396	C	94.6	Very high	88	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-40.4	-180	-67.2	0	0	0	0	112.4	V332 I337 W351 L357 F364 L392 Y393 N394 H400	V332-C396 VanDerWaalsContact CG2-SG 3.51Å; I337-C396 HydrophobicContact CD1-CB 4.5Å; W351-C396 HydrophobicContact CH2-CB 4.3Å; L357-C396 HydrophobicContact CD1-CB 3.57Å; F364-C396 HydrophobicContact CZ-CB 4.27Å; L392-C396 PolarHBondContact O-N 2.87Å; L392-C396 PolarHBondContact O-SG 3.05Å; Y393-C396 PolarHBondContact O-N 2.78Å; N394-C396 PolarHBondContact O-N 3.38Å; C396-H400 VanDerWaalsContact O-CB 3.26Å; C396-H400 WeakPolarHBondContact O-CB 3.49Å; C396-H400 PolarHBondContact O-N 3.15Å
397	V	92.2	Very high	85.4	Confident	36 Å²	36	47.4 Å²	47.4	22%	0.218	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-45	177.4	169.3	0	0	0	0	110.7	L357 Y393 N394 H399 H400 N401	L357-V397 HydrophobicContact CD1-CG2 4.29Å; Y393-V397 HydrophobicContact CD1-CG2 4.48Å; Y393-V397 HydrophobicContact CD2-CG2 4.04Å; Y393-V397 HydrophobicContact CE1-CG2 4.07Å; Y393-V397 HydrophobicContact CE2-CG2 3.56Å; Y393-V397 HydrophobicContact CG-CG2 4.48Å; Y393-V397 WeakPolarHBondContact O-CG2 3.18Å; Y393-V397 PolarHBondContact O-N 3.28Å; N394-V397 PolarHBondContact O-N 3.01Å; V397-H399 PolarHBondContact O-N 3.26Å; V397-H400 PolarHBondContact O-N 3.41Å; V397-N401 VanDerWaalsContact O-CB 3.32Å; V397-N401 WeakPolarHBondContact O-CB 3.2Å; V397-N401 PolarHBondContact O-N 2.83Å; V397-N401 PolarHBondContact O-ND2 2.99Å
398	D	91.3	Very high	82.4	Confident	42 Å²	42	48.5 Å²	48.5	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-46.9	177.3	-75	-7.1	0	0	0	111.3	K201 F202 N394 V395 N401 F402	K201-D398 WeakPolarHBondContact CE-OD2 2.96Å; K201-D398 IonicContact NZ-OD2 2.82Å; K201-D398 PolarHBondContact NZ-OD2 3.28Å; F202-D398 HydrophobicContact CE1-CB 4.08Å; F202-D398 HydrophobicContact CZ-CB 4Å; N394-D398 VanDerWaalsContact O-CB 3.32Å; N394-D398 WeakPolarHBondContact O-CB 3.18Å; N394-D398 PolarHBondContact O-N 3.4Å; V395-D398 PolarHBondContact O-N 3.14Å; D398-N401 PolarHBondContact O-N 3.26Å; D398-F402 VanDerWaalsContact O-CB 3.31Å; D398-F402 WeakPolarHBondContact O-CB 3.1Å; D398-F402 PolarHBondContact O-N 3.15Å
399	H	92.2	Very high	79.3	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-44.3	178	-78.8	70.7	0	0	0	112.4	F202 V332 W351 V395 V397 N401 F402 F403	F202-H399 AromaticContact CE1-ND1 3.91Å; V332-H399 HydrophobicContact CG1-CB 3.96Å; W351-H399 HydrophobicContact CH2-CB 4.06Å; W351-H399 HydrophobicContact CZ2-CB 3.53Å; V395-H399 WeakPolarHBondContact O-CB 3.37Å; V395-H399 PolarHBondContact O-N 3.46Å; V395-H399 PolarHBondContact O-ND1 3.45Å; V397-H399 PolarHBondContact O-N 3.26Å; H399-N401 VanDerWaalsContact C-N 3.33Å; H399-N401 PolarHBondContact O-N 3.44Å; H399-F402 PolarHBondContact O-N 2.84Å; H399-F403 HydrophobicContact CB-CD2 4.45Å; H399-F403 AromaticContact CD2-CE2 3.86Å; H399-F403 WeakPolarHBondContact O-CD2 2.93Å; H399-F403 PolarHBondContact O-N 3.02Å
400	H	88.3	Confident	76.1	Confident	38 Å²	38	63.1 Å²	63.1	18%	0.176	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-44.5	176.6	-179.3	-88	0	0	0	111	W351 C396 V397 R404	W351-H400 HydrophobicContact CD2-CB 4.24Å; W351-H400 HydrophobicContact CE3-CB 3.87Å; W351-H400 AromaticContact CE3-CD2 3.69Å; W351-H400 HydrophobicContact CZ3-CB 4.05Å; C396-H400 VanDerWaalsContact O-CB 3.26Å; C396-H400 WeakPolarHBondContact O-CB 3.49Å; C396-H400 PolarHBondContact O-N 3.15Å; V397-H400 PolarHBondContact O-N 3.41Å; H400-R404 WeakPolarHBondContact NE2-CD 3.49Å; H400-R404 PolarHBondContact NE2-NH1 3.07Å; H400-R404 WeakPolarHBondContact O-CB 3.46Å; H400-R404 PolarHBondContact O-N 3.49Å
401	N	87	Confident	73.1	Confident	70 Å²	70	64 Å²	64	37%	0.374	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-48.6	176.6	-74.5	-23.7	0	0	0	111.7	V397 D398 H399 L405	V397-N401 VanDerWaalsContact O-CB 3.32Å; V397-N401 WeakPolarHBondContact O-CB 3.2Å; V397-N401 PolarHBondContact O-N 2.83Å; V397-N401 PolarHBondContact O-ND2 2.99Å; D398-N401 PolarHBondContact O-N 3.26Å; H399-N401 VanDerWaalsContact C-N 3.33Å; H399-N401 PolarHBondContact O-N 3.44Å; N401-L405 HydrophobicContact CB-CD1 4.1Å; N401-L405 VanDerWaalsContact O-CB 3.26Å; N401-L405 WeakPolarHBondContact O-CB 3.34Å; N401-L405 PolarHBondContact O-N 3.29Å; N401-L405 VanDerWaalsContact O-N 3.14Å; N401-L405 WeakPolarHBondContact OD1-CD1 3.49Å
402	F	88.2	Confident	70.1	Confident	27 Å²	27	72.8 Å²	72.8	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-52.4	-176.6	-172.6	-91.2	0	0	0	112.1	E163 F164 F202 D398 H399	E163-F402 HydrophobicContact CB-CE2 4.07Å; E163-F402 HydrophobicContact CG-CE2 3.99Å; E163-F402 HydrophobicContact CG-CZ 4.3Å; F164-F402 HydrophobicContact CD1-CE1 4.25Å; F164-F402 AromaticContact CD1-CZ 3.69Å; F164-F402 HydrophobicContact CD1-CZ 3.69Å; F164-F402 HydrophobicContact CE1-CE1 4.13Å; F164-F402 AromaticContact CE1-CZ 3.68Å; F164-F402 HydrophobicContact CE1-CZ 3.68Å; F202-F402 HydrophobicContact CB-CD1 3.79Å; F202-F402 HydrophobicContact CB-CD2 4.43Å; F202-F402 HydrophobicContact CB-CE1 3.65Å; F202-F402 HydrophobicContact CB-CE2 4.3Å; F202-F402 HydrophobicContact CB-CG 4.19Å; F202-F402 HydrophobicContact CB-CZ 3.92Å; F202-F402 HydrophobicContact CD1-CB 3.93Å; F202-F402 HydrophobicContact CD1-CD1 4.11Å; F202-F402 HydrophobicContact CD1-CD2 4.37Å; F202-F402 AromaticContact CD1-CG 3.89Å; F202-F402 HydrophobicContact CD1-CG 3.89Å; F202-F402 HydrophobicContact CD2-CD1 4.4Å; F202-F402 AromaticContact CD2-CD2 3.61Å; F202-F402 HydrophobicContact CD2-CD2 3.61Å; F202-F402 AromaticContact CD2-CE2 3.76Å; F202-F402 HydrophobicContact CD2-CE2 3.76Å; F202-F402 AromaticContact CD2-CG 3.95Å; F202-F402 HydrophobicContact CD2-CG 3.95Å; F202-F402 HydrophobicContact CD2-CZ 4.24Å; F202-F402 HydrophobicContact CE1-CB 3.84Å; F202-F402 HydrophobicContact CE1-CG 4.19Å; F202-F402 HydrophobicContact CE2-CB 4.5Å; F202-F402 AromaticContact CE2-CD2 3.8Å; F202-F402 HydrophobicContact CE2-CD2 3.8Å; F202-F402 HydrophobicContact CE2-CE2 4.29Å; F202-F402 HydrophobicContact CE2-CG 4.24Å; F202-F402 HydrophobicContact CG-CB 4.29Å; F202-F402 AromaticContact CG-CD1 3.85Å; F202-F402 HydrophobicContact CG-CD1 3.85Å; F202-F402 AromaticContact CG-CD2 3.89Å; F202-F402 HydrophobicContact CG-CD2 3.89Å; F202-F402 HydrophobicContact CG-CE1 4.12Å; F202-F402 HydrophobicContact CG-CE2 4.14Å; F202-F402 AromaticContact CG-CG 3.74Å; F202-F402 HydrophobicContact CG-CG 3.74Å; F202-F402 HydrophobicContact CG-CZ 4.25Å; F202-F402 HydrophobicContact CZ-CB 4.12Å; F202-F402 HydrophobicContact CZ-CD2 4.26Å; F202-F402 HydrophobicContact CZ-CG 4.33Å; D398-F402 VanDerWaalsContact O-CB 3.31Å; D398-F402 WeakPolarHBondContact O-CB 3.1Å; D398-F402 PolarHBondContact O-N 3.15Å; H399-F402 PolarHBondContact O-N 2.84Å
403	F	84.4	Confident	66.9	Low	51 Å²	51	82.1 Å²	82.1	22%	0.224	42%	0.418	C	S	.	.	H	α-helix	trans	-85	-27	-172.8	-68.5	-68.8	0	0	0	114.1	F202 Y203 H399	F202-F403 HydrophobicContact CB-CE2 4.25Å; F202-F403 HydrophobicContact CB-CZ 3.98Å; F202-F403 HydrophobicContact CD1-CE2 4.13Å; Y203-F403 WeakPolarHBondContact O-CZ 3.41Å; H399-F403 HydrophobicContact CB-CD2 4.45Å; H399-F403 AromaticContact CD2-CE2 3.86Å; H399-F403 WeakPolarHBondContact O-CD2 2.93Å; H399-F403 PolarHBondContact O-N 3.02Å
404	R	72.6	Confident	64.1	Low	83 Å²	83	84.9 Å²	84.9	31%	0.313	45%	0.445	S	S	.	.	H	α-helix	trans	-92.2	-38.2	-178.2	-163.5	176.6	178	162.8	-1.2	113.3	W351 H400	W351-R404 PolarHBondContact O-NH1 3.22Å; H400-R404 WeakPolarHBondContact NE2-CD 3.49Å; H400-R404 PolarHBondContact NE2-NH1 3.07Å; H400-R404 WeakPolarHBondContact O-CB 3.46Å; H400-R404 PolarHBondContact O-N 3.49Å
405	L	58.8	Low	61.3	Low	95 Å²	95	87.3 Å²	87.3	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-84.6	-18.4	-171.4	-58.5	175.6	0	0	0	113.5	N401 G407	N401-L405 HydrophobicContact CB-CD1 4.1Å; N401-L405 VanDerWaalsContact O-CB 3.26Å; N401-L405 WeakPolarHBondContact O-CB 3.34Å; N401-L405 PolarHBondContact O-N 3.29Å; N401-L405 VanDerWaalsContact O-N 3.14Å; N401-L405 WeakPolarHBondContact OD1-CD1 3.49Å; L405-G407 VanDerWaalsContact C-N 3.33Å
406	R	55.8	Low	58.4	Low	122 Å²	122	95.2 Å²	95.2	46%	0.46	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.1	172.9	-77	-174.5	169.1	-154.9	-7.2	113.8	E163 S408	E163-R406 VanDerWaalsContact CD-NH2 3.3Å; E163-R406 IonicContact OE1-CZ 3.98Å; E163-R406 VanDerWaalsContact OE1-CZ 3.23Å; E163-R406 IonicContact OE1-NH1 2.76Å; E163-R406 PolarHBondContact OE1-NH1 3.26Å; E163-R406 IonicContact OE1-NH2 3.79Å; E163-R406 PolarHBondContact OE1-NH2 2.84Å; R406-S408 PolarHBondContact O-N 2.73Å
407	G	41.5	Very low	55.6	Low	70 Å²	70	103.7 Å²	103.7	72%	0.722	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	17.7	-172.3	0	0	0	0	0	117.5	L405	L405-G407 VanDerWaalsContact C-N 3.33Å
408	S	28.4	Very low	52.6	Low	105 Å²	105	107 Å²	107	73%	0.734	57%	0.565	S	S	*	*			trans	-121.8	42.3	-177.1	68.5	0	0	0	0	115.4	R406	R406-S408 PolarHBondContact O-N 2.73Å
409	S	28	Very low	49.9	Very low	105 Å²	105	110.6 Å²	110.6	73%	0.734	59%	0.594	S	S	*	*			trans	-96.7	102	150.5	64.1	0	0	0	0	108.8
410	R	29.3	Very low	46.7	Very low	232 Å²	232	118.7 Å²	118.7	88%	0.875	63%	0.63	S	S	*	*			trans	-50.3	134.5	161.2	-72.7	-178.7	177.1	-175.1	-2.3	107.7	K412	R410-K412 PolarHBondContact O-N 3.02Å
411	P	30.5	Very low	44	Very low	128 Å²	128	121 Å²	121	83%	0.831	66%	0.656	S	S	*	*			trans	-59.1	114.5	172.9	23.6	-29.6	0	0	0	107.2	K413	P411-K413 PolarHBondContact O-N 2.8Å
412	K	30.7	Very low	41.2	Very low	204 Å²	204	123.8 Å²	123.8	89%	0.887	68%	0.675	S	S	*	*			trans	-61.3	134.2	165.4	-72	-177	178.6	178.9	0	106.1	R410	R410-K412 PolarHBondContact O-N 3.02Å
413	K	27.7	Very low	38.5	Very low	196 Å²	196	128.7 Å²	128.7	85%	0.852	69%	0.693	S	S	*	*			trans	-37.5	139.1	179.1	-72.9	177.5	174.4	-179.4	0	111.4	P411 S415	P411-K413 PolarHBondContact O-N 2.8Å; K413-S415 PolarHBondContact O-N 3.12Å
414	P	36.2	Very low	35.8	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	72%	0.721	S	S	*	*			trans	-59.3	125.5	178.1	24.8	-31.3	0	0	0	109.5
415	S	34.9	Very low	33.8	Very low	94 Å²	94	139 Å²	139	66%	0.657	74%	0.737	S	S	*	*			trans	-68.3	136.6	172.5	168.4	0	0	0	0	109.7	K413 F417	K413-S415 PolarHBondContact O-N 3.12Å; S415-F417 PolarHBondContact O-N 3.11Å
416	L	33.9	Very low	32.3	Very low	169 Å²	169	143.1 Å²	143.1	89%	0.885	75%	0.753	S	S	*	*	S	Bend	trans	-73.2	45.1	-177.6	-93.6	157.5	0	0	0	114.2
417	F	35.6	Very low	31.2	Very low	178 Å²	178	145.1 Å²	145.1	78%	0.781	76%	0.762	S	S	*	*			trans	-135.3	126.2	173.2	-66	-71.3	0	0	0	111.3	S415 S419	S415-F417 PolarHBondContact O-N 3.11Å; F417-S419 PolarHBondContact O-N 3.4Å
418	P	29.6	Very low	30.7	Very low	105 Å²	105	148.3 Å²	148.3	68%	0.682	77%	0.769	S	S	*	*			trans	-83.1	116.1	179.4	33.1	-28.9	0	0	0	109.4	F420	P418-F420 HydrophobicContact CB-CD2 3.99Å; P418-F420 HydrophobicContact CB-CE2 3.77Å; P418-F420 HydrophobicContact CG-CE2 4.37Å
419	S	33.6	Very low	30.6	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	77%	0.765	S	S	*	*			trans	-96.5	93.8	164.5	173.2	0	0	0	0	108.4	F417	F417-S419 PolarHBondContact O-N 3.4Å
420	F	26.7	Very low	30.7	Very low	177 Å²	177	146.7 Å²	146.7	78%	0.776	76%	0.764	S	S	*	*			trans	-75.5	118.3	167.2	-76.1	-88.7	0	0	0	109.7	P418	P418-F420 HydrophobicContact CB-CD2 3.99Å; P418-F420 HydrophobicContact CB-CE2 3.77Å; P418-F420 HydrophobicContact CG-CE2 4.37Å
421	A	30.7	Very low	30.7	Very low	87 Å²	87	141.8 Å²	141.8	72%	0.719	76%	0.76	S	S	*	*			trans	-145.6	67	160.4	0	0	0	0	0	109.4	R423	A421-R423 PolarHBondContact O-N 3.31Å
422	T	28.1	Very low	30.8	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	76%	0.76	S	S	*	*			trans	-71.3	106.1	164.5	-7	0	0	0	0	107.8
423	R	32.3	Very low	30.7	Very low	130 Å²	130	141.5 Å²	141.5	49%	0.491	76%	0.757	S	S	.	*			trans	-84.9	113.8	169.3	-80.6	-176.5	-171.7	168.6	4.8	109	R59 A421	R59-R423 VanDerWaalsContact NE-NH1 3.11Å; A421-R423 PolarHBondContact O-N 3.31Å
424	K	27.4	Very low	31	Very low	191 Å²	191	137.5 Å²	137.5	83%	0.83	75%	0.754	S	S	*	*			trans	-73.3	130.8	165.6	-69.7	177.3	171.7	179	0	108.5
425	Y	30.7	Very low	30.7	Very low	161 Å²	161	137 Å²	137	63%	0.631	75%	0.753	S	S	*	*			trans	-92.8	131.3	164	-65.9	-92	0	0	0	107.7
426	H	27.7	Very low	30.5	Very low	181 Å²	181	137.4 Å²	137.4	84%	0.838	76%	0.756	S	S	*	*			trans	-110.9	117.6	168.6	-101.8	12.6	0	0	0	107.7
427	Y	32.3	Very low	30.5	Very low	164 Å²	164	136.3 Å²	136.3	64%	0.643	75%	0.75	S	S	*	*			trans	-83.8	133	160.4	-64.1	-88.1	0	0	0	106.7	T295 G429	T295-Y427 WeakPolarHBondContact CG2-OH 3.47Å; Y427-G429 PolarHBondContact O-N 3Å
428	P	29.6	Very low	30.2	Very low	136 Å²	136	135.1 Å²	135.1	88%	0.883	75%	0.751	S	S	*	*			trans	-69.6	88	173.5	28.1	-30.4	0	0	0	108.5
429	G	26.1	Very low	30.3	Very low	63 Å²	63	134.7 Å²	134.7	65%	0.649	76%	0.757	S	S	*	*			trans	-93	109.3	156.3	0	0	0	0	0	107.1	Y427	Y427-G429 PolarHBondContact O-N 3Å
430	T	31.3	Very low	30.3	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	76%	0.755	S	S	*	*			trans	-171.5	113.3	139.7	-68.7	0	0	0	0	109.3	M432	T430-M432 PolarHBondContact O-N 2.97Å; T430-M432 VanDerWaalsContact O-N 3.17Å
431	T	29.4	Very low	30.6	Very low	129 Å²	129	133.6 Å²	133.6	79%	0.791	76%	0.762	S	S	*	*			trans	-37.2	105.8	149.5	15.8	0	0	0	0	111.7	N433	T431-N433 PolarHBondContact O-N 3.24Å
432	M	32.2	Very low	30.5	Very low	169 Å²	169	132.6 Å²	132.6	83%	0.833	76%	0.76	S	S	*	*			trans	-76.1	93.9	161.7	-77.5	-83.1	152.7	0	0	108.3	T430	T430-M432 PolarHBondContact O-N 2.97Å; T430-M432 VanDerWaalsContact O-N 3.17Å
433	N	29.1	Very low	30.5	Very low	157 Å²	157	132.7 Å²	132.7	84%	0.84	76%	0.76	S	S	*	*			trans	-90.4	98.5	159.8	-99.3	-1.7	0	0	0	108.1	T431	T431-N433 PolarHBondContact O-N 3.24Å
434	S	34.5	Very low	30.4	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	77%	0.774	S	S	*	*			trans	-113.7	106.6	158.3	59.4	0	0	0	0	108.1
435	S	29.1	Very low	30.3	Very low	115 Å²	115	128 Å²	128	80%	0.804	77%	0.772	S	S	*	*			trans	-83.9	126.7	167.4	36.3	0	0	0	0	109.4
436	S	29.8	Very low	30.3	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	78%	0.784	S	S	*	*				162.9	138	110.6	69.7	0	0	0	0	113.3
437	I	35.2	Very low	30.5	Very low	146 Å²	146	127.5 Å²	127.5	75%	0.749	78%	0.78	S	S	*	*			trans	94.7	104.9	152.3	-57.1	157.1	0	0	0	118.6
438	D	29.7	Very low	30.7	Very low	153 Å²	153	127.1 Å²	127.1	82%	0.818	78%	0.784	S	S	*	*			trans	50.8	123.1	138.3	-63.1	-31.3	0	0	0	124
439	A	30.6	Very low	31.2	Very low	97 Å²	97	124.9 Å²	124.9	80%	0.802	77%	0.768	S	S	*	*			trans	94.1	142	145	0	0	0	0	0	119.5
440	P	34.7	Very low	32.2	Very low	122 Å²	122	124.4 Å²	124.4	79%	0.792	75%	0.754	S	S	*	*			trans	-110.6	128.6	-151.2	34.9	-20.3	0	0	0	113
441	V	33.2	Very low	33.4	Very low	150 Å²	150	120 Å²	120	91%	0.909	73%	0.725	S	S	*	*			trans	-146.3	130.4	160.6	-178.1	0	0	0	0	107.7
442	G	27.3	Very low	34.5	Very low	66 Å²	66	119 Å²	119	68%	0.68	72%	0.721	S	S	*	*			trans	-76.2	-176.2	-164.8	0	0	0	0	0	116.5
443	V	28.7	Very low	35.6	Very low	129 Å²	129	113.4 Å²	113.4	78%	0.782	69%	0.694	S	S	*	*			trans	149.5	125.3	139.9	168.5	0	0	0	0	109.5
444	D	29.9	Very low	37.1	Very low	145 Å²	145	107.7 Å²	107.7	78%	0.775	67%	0.667	S	S	*	*			trans	70.8	109.4	157.4	-59.5	-19.8	0	0	0	122
445	G	26.2	Very low	38.2	Very low	77 Å²	77	110.9 Å²	110.9	79%	0.794	67%	0.666	S	S	*	*			trans	-76.3	123	168.8	0	0	0	0	0	112.4
446	H	30.7	Very low	40.2	Very low	191 Å²	191	106 Å²	106	88%	0.884	63%	0.631	S	S	*	*			trans	-99.6	92.8	153.7	-89.1	-67	0	0	0	108.8	Q448	H446-Q448 PolarHBondContact O-N 3.46Å
447	N	31.2	Very low	42.2	Very low	141 Å²	141	108.2 Å²	108.2	75%	0.754	62%	0.623	S	S	*	*			trans	-50.9	133.2	167.9	-97.3	-18	0	0	0	110.7	T449	N447-T449 HydrophobicContact CB-CG2 4.23Å; N447-T449 PolarHBondContact O-N 3.28Å; N447-T449 VanDerWaalsContact O-N 3.09Å
448	Q	35.4	Very low	43.3	Very low	156 Å²	156	104.6 Å²	104.6	73%	0.729	61%	0.609	S	S	*	*			trans	-68	94.7	167.9	-62.6	172	17	0	0	108.7	Q258 H446	Q258-Q448 PolarHBondContact NE2-O 3.37Å; H446-Q448 PolarHBondContact O-N 3.46Å
449	T	41.2	Very low	44.9	Very low	88 Å²	88	98.1 Å²	98.1	54%	0.54	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-100.5	127.7	178.3	49.2	0	0	0	0	111.3	N447	N447-T449 HydrophobicContact CB-CG2 4.23Å; N447-T449 PolarHBondContact O-N 3.28Å; N447-T449 VanDerWaalsContact O-N 3.09Å
450	S	47.6	Very low	45.8	Very low	53 Å²	53	98.7 Å²	98.7	37%	0.371	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-62.1	162.7	172.8	53.1	0	0	0	0	113	Q258	Q258-S450 VanDerWaalsContact OE1-N 3.11Å; Q258-S450 PolarHBondContact OE1-OG 3.38Å
451	R	56.4	Low	46.6	Very low	21 Å²	21	94.5 Å²	94.5	8%	0.079	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-67.5	124.8	171.3	-176.9	-177.2	-81.1	-179.1	-1	108.8	D46 L48 E250 L453	D46-R451 PolarHBondContact O-NE 3.39Å; D46-R451 PolarHBondContact O-NH2 3.45Å; D46-R451 IonicContact OD1-CZ 3.12Å; D46-R451 IonicContact OD1-NH1 2.86Å; D46-R451 IonicContact OD1-NH2 2.94Å; D46-R451 PolarHBondContact OD1-NH2 3.05Å; L48-R451 PolarHBondContact O-NE 2.9Å; L48-R451 PolarHBondContact O-NH2 2.85Å; E250-R451 WeakPolarHBondContact O-CD 3.45Å; R451-L453 PolarHBondContact O-N 3.19Å
452	P	51.7	Low	47.4	Very low	109 Å²	109	87.8 Å²	87.8	71%	0.708	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-66.4	130	174.5	25	-30.7	0	0	0	110.1	S454	P452-S454 PolarHBondContact O-N 2.75Å
453	L	55	Low	48	Very low	52 Å²	52	87.8 Å²	87.8	27%	0.272	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-50.9	133	175.1	-78.5	145.9	0	0	0	111	E250 A251 Y264 R451	E250-L453 HydrophobicContact CB-CD2 3.75Å; A251-L453 HydrophobicContact CB-CD2 4.29Å; A251-L453 HydrophobicContact CB-CG 4.43Å; Y264-L453 WeakPolarHBondContact O-CD1 3.36Å; R451-L453 PolarHBondContact O-N 3.19Å
454	S	60.3	Low	48.7	Very low	37 Å²	37	83.6 Å²	83.6	26%	0.259	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-66.1	145.4	177.6	72.9	0	0	0	0	111.6	E250 P452 F456	E250-S454 VanDerWaalsContact CD-OG 3.3Å; E250-S454 WeakPolarHBondContact OE2-CB 3.43Å; E250-S454 PolarHBondContact OE2-N 3.06Å; E250-S454 PolarHBondContact OE2-OG 3.13Å; P452-S454 PolarHBondContact O-N 2.75Å; S454-F456 PolarHBondContact O-N 3.41Å
455	K	58.4	Low	49.5	Very low	177 Å²	177	82.1 Å²	82.1	77%	0.77	46%	0.457	S	S	*	.			trans	-79.3	68.3	179	-66.9	-176.6	-179.4	178	0	110.7	R457	K455-R457 PolarHBondContact O-N 3.29Å
456	F	71.5	Confident	50.2	Low	14 Å²	14	80 Å²	80	6%	0.061	43%	0.428	C	S	.	.			trans	-64.1	125.4	172	178.8	-94.3	0	0	0	110.5	L221 R224 Q225 V228 P269 S454 P458	L221-F456 HydrophobicContact CD2-CD2 4.01Å; L221-F456 HydrophobicContact CD2-CE2 4.33Å; R224-F456 HydrophobicContact CB-CE2 4.29Å; R224-F456 HydrophobicContact CB-CZ 4.16Å; R224-F456 HydrophobicContact CG-CE1 4.09Å; R224-F456 HydrophobicContact CG-CE2 4.18Å; R224-F456 HydrophobicContact CG-CZ 3.83Å; Q225-F456 HydrophobicContact CB-CZ 4.27Å; V228-F456 HydrophobicContact CG2-CE1 4.37Å; P269-F456 HydrophobicContact CG-CD1 3.65Å; P269-F456 HydrophobicContact CG-CE1 4.02Å; S454-F456 PolarHBondContact O-N 3.41Å; F456-P458 HydrophobicContact CE1-CG 4.4Å
457	R	71.6	Confident	50.5	Low	149 Å²	149	72.8 Å²	72.8	56%	0.562	41%	0.406	S	S	*	.			trans	-112.4	119.4	178.8	-65.5	-178.1	-176.4	-162.4	-0.3	110.3	D132 K455 M459	D132-R457 PolarHBondContact O-N 2.82Å; K455-R457 PolarHBondContact O-N 3.29Å; R457-M459 PolarHBondContact O-N 3.38Å
458	P	58.9	Low	51	Low	70 Å²	70	69.2 Å²	69.2	46%	0.455	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.1	122.7	173.4	-23.4	34.5	0	0	0	111	V228 P269 F456	V228-P458 HydrophobicContact CG1-CB 3.82Å; V228-P458 HydrophobicContact CG1-CG 3.82Å; P269-P458 HydrophobicContact CB-CG 4.04Å; P269-P458 HydrophobicContact CG-CG 3.68Å; F456-P458 HydrophobicContact CE1-CG 4.4Å
459	M	62.6	Low	51.4	Low	16 Å²	16	62.8 Å²	62.8	8%	0.079	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-74.6	149	166.4	-59	-168.9	-73.6	0	0	110.3	V129 Q225 R457 A461	V129-M459 HydrophobicContact CB-SD 4.19Å; V129-M459 HydrophobicContact CG1-CG 4.09Å; V129-M459 HydrophobicContact CG1-SD 3.39Å; V129-M459 WeakPolarHBondContact CG1-SD 3.33Å; Q225-M459 VanDerWaalsContact CD-N 3.26Å; Q225-M459 HydrophobicContact CG-CB 4.36Å; Q225-M459 HydrophobicContact CG-CE 3.8Å; Q225-M459 PolarHBondContact NE2-O 3.16Å; R457-M459 PolarHBondContact O-N 3.38Å; M459-A461 PolarHBondContact O-N 2.87Å
460	P	49.9	Very low	51.4	Low	110 Å²	110	59.9 Å²	59.9	71%	0.714	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-59.6	137.4	169.5	-19.2	31.4	0	0	0	110.5
461	A	49.8	Very low	50.9	Low	34 Å²	34	59.5 Å²	59.5	28%	0.281	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.3	143	172.1	0	0	0	0	0	110	M459 P463	M459-A461 PolarHBondContact O-N 2.87Å; A461-P463 WeakPolarHBondContact O-CD 3.46Å; A461-P463 VanDerWaalsContact O-N 3.15Å
462	H	51.8	Low	49.7	Very low	8 Å²	8	62 Å²	62	4%	0.037	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-49.5	120.7	174.2	-94.1	-70.5	0	0	0	110.4	Y170 W176 E197 Q199 S464	Y170-H462 AromaticContact CE1-CE1 3.5Å; Y170-H462 VanDerWaalsContact CE1-CE1 3.5Å; Y170-H462 WeakPolarHBondContact CE1-CE1 3.39Å; Y170-H462 AromaticContact CE1-ND1 3.11Å; Y170-H462 WeakPolarHBondContact CE1-ND1 3.49Å; Y170-H462 AromaticContact CE2-CE1 3.68Å; Y170-H462 AromaticContact CZ-CE1 3.11Å; Y170-H462 AromaticContact CZ-ND1 3.09Å; Y170-H462 PolarHBondContact OH-CE1 3.29Å; Y170-H462 PolarHBondContact OH-ND1 3.22Å; W176-H462 WeakPolarHBondContact CB-CE1 2.95Å; W176-H462 WeakPolarHBondContact CB-ND1 3.48Å; W176-H462 AromaticContact CD1-CE1 3.83Å; W176-H462 AromaticContact CD1-CG 3.36Å; W176-H462 AromaticContact CD1-ND1 3.08Å; W176-H462 AromaticContact CD2-CE1 3.85Å; W176-H462 AromaticContact CD2-ND1 3.86Å; W176-H462 HydrophobicContact CG-CB 4.44Å; W176-H462 AromaticContact CG-CE1 3.34Å; W176-H462 AromaticContact CG-CG 3.65Å; W176-H462 AromaticContact CG-ND1 3.06Å; W176-H462 AromaticContact CG-NE2 3.97Å; W176-H462 AromaticContact NE1-CG 3.61Å; W176-H462 AromaticContact NE1-ND1 3.83Å; E197-H462 IonicContact OE2-CE1 2.77Å; E197-H462 IonicContact OE2-NE2 2.92Å; E197-H462 PolarHBondContact OE2-NE2 3.43Å; Q199-H462 PolarHBondContact NE2-NE2 3.15Å; H462-S464 PolarHBondContact O-N 3.41Å
463	P	38.9	Very low	48.8	Very low	67 Å²	67	62.7 Å²	62.7	44%	0.435	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	0.3	-174.8	15.4	-29.9	0	0	0	116.2	Y170 N174 A461 E465	Y170-P463 HydrophobicContact CE1-CG 3.91Å; N174-P463 WeakPolarHBondContact ND2-CB 3.44Å; N174-P463 WeakPolarHBondContact ND2-CG 3.36Å; A461-P463 WeakPolarHBondContact O-CD 3.46Å; A461-P463 VanDerWaalsContact O-N 3.15Å; P463-E465 PolarHBondContact O-N 2.92Å
464	S	43.5	Very low	47.7	Very low	40 Å²	40	71.6 Å²	71.6	28%	0.28	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	75.8	164.6	62.9	0	0	0	0	110.7	H462 T466	H462-S464 PolarHBondContact O-N 3.41Å; S464-T466 VanDerWaalsContact C-N 3.25Å; S464-T466 PolarHBondContact O-N 2.83Å
465	E	46.8	Very low	46.4	Very low	115 Å²	115	74.7 Å²	74.7	54%	0.537	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	30.3	154.3	-56.7	179	107.4	0	0	117.3	K319 P463 G467 W468	K319-E465 WeakPolarHBondContact CD-OE2 3.49Å; K319-E465 WeakPolarHBondContact CE-OE2 3.45Å; K319-E465 IonicContact NZ-OE1 3.25Å; K319-E465 PolarHBondContact NZ-OE1 3.28Å; K319-E465 IonicContact NZ-OE2 2.77Å; K319-E465 PolarHBondContact NZ-OE2 3.19Å; P463-E465 PolarHBondContact O-N 2.92Å; E465-G467 PolarHBondContact O-N 3.2Å; E465-W468 WeakPolarHBondContact O-CB 3.47Å; E465-W468 PolarHBondContact O-N 2.8Å
466	T	40.8	Very low	45.2	Very low	31 Å²	31	73.1 Å²	73.1	19%	0.19	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-72.8	-9.3	175.2	53.2	0	0	0	0	113.4	Q231 S464 W468 T470	Q231-T466 HydrophobicContact CG-CG2 4.05Å; S464-T466 VanDerWaalsContact C-N 3.25Å; S464-T466 PolarHBondContact O-N 2.83Å; T466-W468 PolarHBondContact O-N 3.22Å; T466-T470 PolarHBondContact O-OG1 3.07Å
467	G	38.1	Very low	43.2	Very low	41 Å²	41	80.1 Å²	80.1	42%	0.423	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-58.4	-8.8	164.7	0	0	0	0	0	114	E465 F469 T470	E465-G467 PolarHBondContact O-N 3.2Å; G467-F469 VanDerWaalsContact C-N 3.3Å; G467-F469 PolarHBondContact O-N 3.22Å; G467-T470 WeakPolarHBondContact CA-OG1 3.47Å; G467-T470 CarbonylContact O-C 3.47Å; G467-T470 VanDerWaalsContact O-C 3.24Å; G467-T470 PolarHBondContact O-N 3.33Å
468	W	41.6	Very low	41.1	Very low	66 Å²	66	80.5 Å²	80.5	25%	0.25	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-51.1	-40.8	174.3	153.5	-93.9	0	0	0	114.1	N342 R343 E465 T466	N342-W468 HydrophobicContact CB-CH2 3.7Å; N342-W468 HydrophobicContact CB-CZ2 4.47Å; N342-W468 WeakPolarHBondContact O-CH2 3.39Å; N342-W468 WeakPolarHBondContact O-CZ2 3.39Å; R343-W468 VanDerWaalsContact CA-CZ2 3.4Å; R343-W468 HydrophobicContact CB-CH2 4.3Å; R343-W468 HydrophobicContact CB-CZ2 3.82Å; R343-W468 HydrophobicContact CG-CH2 3.49Å; R343-W468 VanDerWaalsContact CG-CH2 3.49Å; R343-W468 HydrophobicContact CG-CZ2 3.1Å; R343-W468 VanDerWaalsContact CZ-O 3.29Å; R343-W468 PolarHBondContact NE-O 3.39Å; R343-W468 PolarHBondContact NH2-O 3.27Å; E465-W468 WeakPolarHBondContact O-CB 3.47Å; E465-W468 PolarHBondContact O-N 2.8Å; T466-W468 PolarHBondContact O-N 3.22Å
469	F	42.8	Very low	39.5	Very low	20 Å²	20	85.2 Å²	85.2	9%	0.088	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-25.7	172.8	-75.1	-70.6	0	0	0	112.9	P233 L312 L317 R343 G467 F471 L850	P233-F469 HydrophobicContact CG-CB 4.22Å; P233-F469 HydrophobicContact CG-CG 4.47Å; L312-F469 HydrophobicContact CD1-CD1 4.36Å; L312-F469 HydrophobicContact CD1-CD2 3.46Å; L312-F469 VanDerWaalsContact CD1-CD2 3.46Å; L312-F469 HydrophobicContact CD1-CE1 4.27Å; L312-F469 HydrophobicContact CD1-CE2 3.36Å; L312-F469 HydrophobicContact CD1-CG 4.01Å; L312-F469 HydrophobicContact CD1-CZ 3.81Å; L312-F469 HydrophobicContact CD2-CE2 4.12Å; L312-F469 HydrophobicContact CD2-CZ 4.39Å; L312-F469 HydrophobicContact CG-CE2 4.4Å; L317-F469 HydrophobicContact CD1-CD2 4.29Å; L317-F469 HydrophobicContact CD1-CE2 3.89Å; R343-F469 HydrophobicContact CB-CD1 4.21Å; R343-F469 HydrophobicContact CB-CE1 3.75Å; R343-F469 HydrophobicContact CG-CD1 3.78Å; R343-F469 HydrophobicContact CG-CE1 3.74Å; G467-F469 VanDerWaalsContact C-N 3.3Å; G467-F469 PolarHBondContact O-N 3.22Å; F469-F471 PolarHBondContact O-N 2.97Å; F469-L850 HydrophobicContact CD1-CD1 4.35Å; F469-L850 HydrophobicContact CE1-CD1 4.03Å
470	T	40.7	Very low	37.7	Very low	28 Å²	28	93.2 Å²	93.2	17%	0.172	50%	0.499	C	S	.	.	S	Bend	trans	-95.4	86.4	178.8	25	0	0	0	0	112	G230 P272 T466 G467	G230-T470 VanDerWaalsContact CA-CG2 3.48Å; P272-T470 HydrophobicContact CG-CG2 4.27Å; T466-T470 PolarHBondContact O-OG1 3.07Å; G467-T470 WeakPolarHBondContact CA-OG1 3.47Å; G467-T470 CarbonylContact O-C 3.47Å; G467-T470 VanDerWaalsContact O-C 3.24Å; G467-T470 PolarHBondContact O-N 3.33Å
471	F	37.5	Very low	36.6	Very low	45 Å²	45	95.2 Å²	95.2	20%	0.197	50%	0.503	C	S	.	.			trans	69.8	125.1	165.8	-47.9	-76	0	0	0	115.2	M274 L275 F469 N473 A485	M274-F471 HydrophobicContact CE-CB 4.09Å; M274-F471 HydrophobicContact CE-CD1 4.35Å; M274-F471 HydrophobicContact CE-CD2 3.04Å; M274-F471 HydrophobicContact CE-CE2 3.49Å; M274-F471 VanDerWaalsContact CE-CE2 3.49Å; M274-F471 HydrophobicContact CE-CG 3.53Å; M274-F471 HydrophobicContact CE-CZ 4.32Å; L275-F471 HydrophobicContact CD1-CE2 4.41Å; L275-F471 HydrophobicContact CD1-CZ 3.78Å; L275-F471 HydrophobicContact CD2-CE1 4.07Å; L275-F471 HydrophobicContact CD2-CZ 3.6Å; L275-F471 HydrophobicContact CG-CE1 4.49Å; L275-F471 HydrophobicContact CG-CE2 4.29Å; L275-F471 HydrophobicContact CG-CZ 3.55Å; F469-F471 PolarHBondContact O-N 2.97Å; F471-N473 PolarHBondContact O-N 2.78Å; F471-A485 HydrophobicContact CD1-CB 3.39Å; F471-A485 HydrophobicContact CE1-CB 3.43Å; F471-A485 VanDerWaalsContact CE1-CB 3.43Å; F471-A485 WeakPolarHBondContact CE1-O 3.49Å
472	A	30.5	Very low	35.4	Very low	72 Å²	72	97.8 Å²	97.8	60%	0.595	53%	0.533	S	S	*	.			trans	-57.4	134.5	169.7	0	0	0	0	0	109.1	R474	A472-R474 PolarHBondContact O-N 2.86Å
473	N	33.5	Very low	34.1	Very low	125 Å²	125	99.5 Å²	99.5	67%	0.668	55%	0.549	S	S	*	.			trans	-52.8	133.9	171.8	-109.6	-20.4	0	0	0	108.9	F471 S475 E476	F471-N473 PolarHBondContact O-N 2.78Å; N473-S475 PolarHBondContact O-N 2.94Å; N473-E476 PolarHBondContact O-N 3.43Å; N473-E476 VanDerWaalsContact O-N 3.11Å
474	R	32	Very low	33.5	Very low	238 Å²	238	101.9 Å²	101.9	90%	0.898	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-54	-15.1	178.4	-93.7	-174.2	176.5	-165.8	-0.5	114.2	A472	A472-R474 PolarHBondContact O-N 2.86Å
475	S	33.1	Very low	32.6	Very low	102 Å²	102	102.4 Å²	102.4	71%	0.713	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-85	-3.8	-179.8	58.2	0	0	0	0	115.4	N473	N473-S475 PolarHBondContact O-N 2.94Å
476	E	33.2	Very low	31.9	Very low	145 Å²	145	100.6 Å²	100.6	68%	0.678	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-101.8	15.1	179.4	-75.6	-174.7	157.6	0	0	114.2	N473 D478	N473-E476 PolarHBondContact O-N 3.43Å; N473-E476 VanDerWaalsContact O-N 3.11Å; E476-D478 PolarHBondContact O-N 3.36Å; E476-D478 VanDerWaalsContact O-N 3.11Å
477	M	28.7	Very low	31.2	Very low	161 Å²	161	101.5 Å²	101.5	79%	0.793	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-1.4	-177.4	-83	-174.4	78.2	0	0	116.1
478	D	27.5	Very low	30.8	Very low	157 Å²	157	103.1 Å²	103.1	84%	0.84	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	9.3	-177.9	-79.2	-17	0	0	0	115	E476	E476-D478 PolarHBondContact O-N 3.36Å; E476-D478 VanDerWaalsContact O-N 3.11Å
479	H	26.1	Very low	30.1	Very low	169 Å²	169	102 Å²	102	78%	0.782	56%	0.563	S	S	*	*	S	Bend	trans	-118.5	128.6	172.5	-71.8	60.3	0	0	0	111	N481	H479-N481 PolarHBondContact O-N 2.93Å
480	M	24	Very low	29.4	Very low	184 Å²	184	102.3 Å²	102.3	91%	0.906	56%	0.563	S	S	*	*	S	Bend	trans	-48.1	107.5	-169.9	-64.5	-157.8	120.6	0	0	113.8
481	N	27.8	Very low	28.6	Very low	151 Å²	151	105.3 Å²	105.3	81%	0.807	58%	0.575	S	S	*	*			trans	160.3	99.5	137.7	-82.7	-20.1	0	0	0	107.7	H479 A483	H479-N481 PolarHBondContact O-N 2.93Å; N481-A483 PolarHBondContact O-N 3.48Å
482	G	24.3	Very low	28	Very low	88 Å²	88	104.2 Å²	104.2	91%	0.907	57%	0.573	S	S	*	*			trans	-63.5	98.3	176	0	0	0	0	0	111.2
483	A	24.7	Very low	27.8	Very low	45 Å²	45	102.3 Å²	102.3	37%	0.372	56%	0.557	S	S	.	*			trans	-123.1	100.6	170.6	0	0	0	0	0	109.1	N481 A485	N481-A483 PolarHBondContact O-N 3.48Å; A483-A485 PolarHBondContact O-N 2.97Å
484	V	25.5	Very low	27.5	Very low	117 Å²	117	100.3 Å²	100.3	71%	0.709	54%	0.544	S	S	*	.			trans	-64.3	123.6	173.1	-176.1	0	0	0	0	108.5	S486	V484-S486 PolarHBondContact O-N 2.84Å; V484-S486 PolarHBondContact O-OG 3.36Å
485	A	25.9	Very low	27.4	Very low	51 Å²	51	94.3 Å²	94.3	42%	0.421	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	22.7	-28.1	146.6	0	0	0	0	0	123.2	F471 A483	F471-A485 HydrophobicContact CD1-CB 3.39Å; F471-A485 HydrophobicContact CE1-CB 3.43Å; F471-A485 VanDerWaalsContact CE1-CB 3.43Å; F471-A485 WeakPolarHBondContact CE1-O 3.49Å; A483-A485 PolarHBondContact O-N 2.97Å
486	S	30.5	Very low	27.2	Very low	77 Å²	77	97.6 Å²	97.6	54%	0.538	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.6	-177	54.1	0	0	0	0	114.9	V484 Y488	V484-S486 PolarHBondContact O-N 2.84Å; V484-S486 PolarHBondContact O-OG 3.36Å; S486-Y488 PolarHBondContact O-N 3.34Å
487	Q	26.9	Very low	27	Very low	49 Å²	49	93.7 Å²	93.7	23%	0.229	54%	0.54	C	S	.	.	S	Bend	trans	-89.2	33.2	-175.8	-72.1	-177.2	-16.4	0	0	114.7	N851 Q853	Q487-N851 VanDerWaalsContact C-CA 3.47Å; Q487-N851 HydrophobicContact CB-CB 4.05Å; Q487-N851 WeakPolarHBondContact O-CA 3.34Å; Q487-N851 WeakPolarHBondContact O-CB 3.47Å; Q487-N851 PolarHBondContact O-N 3.22Å; Q487-Q853 VanDerWaalsContact NE2-OE1 3.12Å
488	Y	29.4	Very low	27	Very low	75 Å²	75	89.5 Å²	89.5	29%	0.294	52%	0.521	S	S	.	.			trans	-152.8	65.3	-179	-59.2	-78	0	0	0	115.4	S486 L850 N851	S486-Y488 PolarHBondContact O-N 3.34Å; Y488-L850 CarbonylContact C-O 3.57Å; Y488-L850 WeakPolarHBondContact CA-O 3.47Å; Y488-L850 HydrophobicContact CD1-CB 4.19Å; Y488-N851 HydrophobicContact CD1-CB 4.47Å; Y488-N851 HydrophobicContact CE1-CB 4.43Å
489	Q	27.6	Very low	27.2	Very low	44 Å²	44	88.3 Å²	88.3	21%	0.206	52%	0.522	C	S	.	.			trans	-137.7	107.3	174.3	-62.2	174.8	-16.7	0	0	114.8	C234 S235 L850	C234-Q489 VanDerWaalsContact O-CB 3.26Å; C234-Q489 WeakPolarHBondContact O-CB 3.48Å; C234-Q489 WeakPolarHBondContact O-CG 3.28Å; C234-Q489 PolarHBondContact O-NE2 3.14Å; C234-Q489 PolarHBondContact O-OE1 2.85Å; S235-Q489 VanDerWaalsContact CA-OE1 3.23Å; Q489-L850 CarbonylContact C-O 3.45Å; Q489-L850 VanDerWaalsContact C-O 3.24Å; Q489-L850 WeakPolarHBondContact CA-O 3.49Å; Q489-L850 VanDerWaalsContact N-C 3.34Å; Q489-L850 PolarHBondContact N-O 2.88Å
490	Y	27	Very low	27.5	Very low	25 Å²	25	83.5 Å²	83.5	10%	0.098	51%	0.512	C	S	.	.			trans	-77.8	148.7	175.3	-115.5	-117.5	0	0	0	110.9	D844 E846 G849 L850 K856	Y490-D844 PolarHBondContact OH-OD2 3.43Å; Y490-E846 HydrophobicContact CD1-CB 3.28Å; Y490-E846 HydrophobicContact CD1-CG 4.08Å; Y490-E846 WeakPolarHBondContact CD1-OE2 3.36Å; Y490-E846 HydrophobicContact CE1-CB 3.08Å; Y490-E846 HydrophobicContact CE1-CG 3.9Å; Y490-E846 WeakPolarHBondContact CE1-OE2 3.49Å; Y490-G849 WeakPolarHBondContact CD2-O 3.36Å; Y490-L850 HydrophobicContact CD2-CB 3.87Å; Y490-L850 HydrophobicContact CD2-CD2 3.6Å; Y490-L850 HydrophobicContact CD2-CG 3.45Å; Y490-L850 VanDerWaalsContact CD2-CG 3.45Å; Y490-L850 HydrophobicContact CE2-CB 4.47Å; Y490-L850 HydrophobicContact CE2-CG 4.1Å; Y490-L850 HydrophobicContact CG-CD2 4.04Å; Y490-L850 HydrophobicContact CG-CG 4.37Å; Y490-K856 VanDerWaalsContact OH-CE 3.31Å; Y490-K856 WeakPolarHBondContact OH-CE 3.08Å; Y490-K856 PolarHBondContact OH-NZ 2.82Å; Y490-K856 VanDerWaalsContact OH-NZ 3.11Å
491	Q	24.5	Very low	27.9	Very low	92 Å²	92	76 Å²	76	43%	0.43	48%	0.477	S	S	.	.			trans	-106.4	158.2	157.9	-113.8	179.7	-3	0	0	109	T238 E846	T238-Q491 WeakPolarHBondContact OG1-CG 3.5Å; Q491-E846 CarbonylContact O-C 3.59Å; Q491-E846 WeakPolarHBondContact O-CA 3.37Å; Q491-E846 WeakPolarHBondContact O-CB 3.33Å
492	P	26.1	Very low	28.1	Very low	22 Å²	22	71.2 Å²	71.2	14%	0.143	45%	0.451	C	S	.	.			trans	-119.9	153.9	-167.4	6.9	19.9	0	0	0	114.9	K309 L310	K309-P492 HydrophobicContact CB-CB 3.69Å; K309-P492 HydrophobicContact CB-CG 3.46Å; K309-P492 VanDerWaalsContact CB-CG 3.46Å; K309-P492 WeakPolarHBondContact O-CB 3.37Å; K309-P492 WeakPolarHBondContact O-CG 3.33Å; L310-P492 VanDerWaalsContact CA-CG 3.4Å; L310-P492 HydrophobicContact CB-CG 4.49Å; L310-P492 HydrophobicContact CD2-CG 3.93Å; L310-P492 HydrophobicContact CG-CG 4.45Å; L310-P492 VanDerWaalsContact N-CG 3.28Å
493	A	26	Very low	28.5	Very low	31 Å²	31	70.6 Å²	70.6	26%	0.256	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-52.9	128.9	-176.6	0	0	0	0	0	114.6	V495 N845 E846	A493-V495 PolarHBondContact O-N 3.01Å; A493-N845 WeakPolarHBondContact CA-O 3.5Å; A493-N845 HydrophobicContact CB-CB 3.32Å; A493-E846 HydrophobicContact CB-CG 3.87Å
494	M	27.6	Very low	28.9	Very low	83 Å²	83	70.9 Å²	70.9	41%	0.409	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-70.3	120.8	172.7	-51.9	-167.2	-40.4	0	0	110.6	L922	M494-L922 HydrophobicContact CE-CD1 3.56Å; M494-L922 HydrophobicContact CE-CD2 4.44Å
495	V	29.7	Very low	29.2	Very low	113 Å²	113	67.2 Å²	67.2	69%	0.685	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-79.8	132.7	158.9	175.3	0	0	0	0	107.4	A493 G497	A493-V495 PolarHBondContact O-N 3.01Å; V495-G497 PolarHBondContact O-N 3.5Å
496	I	29.1	Very low	29.5	Very low	170 Å²	170	70.2 Å²	70.2	87%	0.872	40%	0.404	S	S	*	.	S	Bend	trans	-58.2	116.4	176.1	-61.8	167.8	0	0	0	108.9
497	G	27.6	Very low	29.5	Very low	63 Å²	63	69.4 Å²	69.4	65%	0.649	39%	0.39	S	S	*	.			trans	123.5	78.9	171.2	0	0	0	0	0	114	V495	V495-G497 PolarHBondContact O-N 3.5Å
498	D	29.9	Very low	29.5	Very low	74 Å²	74	68.7 Å²	68.7	40%	0.396	39%	0.39	S	S	.	.			trans	174.2	107.2	130.5	-156.1	-9.6	0	0	0	108	R301 A500 C501	R301-D498 IonicContact NH2-OD2 3.11Å; D498-A500 PolarHBondContact O-N 3.23Å; D498-C501 PolarHBondContact O-N 3.38Å; D498-C501 PolarHBondContact O-SG 3.03Å
499	P	31.3	Very low	29.3	Very low	132 Å²	132	70.8 Å²	70.8	86%	0.857	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-4.2	-176	24	-31.5	0	0	0	114.3
500	A	32.2	Very low	29.2	Very low	68 Å²	68	76.3 Å²	76.3	56%	0.562	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.5	176.7	0	0	0	0	0	114.8	D498	D498-A500 PolarHBondContact O-N 3.23Å
501	C	32.1	Very low	29.2	Very low	26 Å²	26	82.1 Å²	82.1	18%	0.176	47%	0.465	C	S	.	.	S	Bend	trans	-113.7	99.9	-175.6	72.4	0	0	0	0	113.7	K309 D498	K309-C501 PolarHBondContact NZ-O 2.97Å; K309-C501 PolarHBondContact NZ-SG 3.25Å; K309-C501 VanDerWaalsContact NZ-SG 3.37Å; D498-C501 PolarHBondContact O-N 3.38Å; D498-C501 PolarHBondContact O-SG 3.03Å
502	M	32.2	Very low	29.3	Very low	51 Å²	51	83.7 Å²	83.7	25%	0.251	48%	0.481	S	S	.	.			trans	70.7	92.3	-175.4	-67	-81	-178.8	0	0	114.4	I241 N306 P504	I241-M502 HydrophobicContact CB-CE 3.91Å; I241-M502 HydrophobicContact CD1-CE 3.57Å; I241-M502 HydrophobicContact CD1-SD 3.63Å; I241-M502 HydrophobicContact CG1-CE 4.29Å; I241-M502 HydrophobicContact CG2-CE 3.29Å; I241-M502 HydrophobicContact CG2-SD 4.2Å; N306-M502 HydrophobicContact CB-CE 3.93Å; N306-M502 WeakPolarHBondContact OD1-CE 3.35Å; N306-M502 WeakPolarHBondContact OD1-CG 3.36Å; M502-P504 WeakPolarHBondContact O-CD 3.3Å
503	D	32.9	Very low	29.3	Very low	74 Å²	74	89 Å²	89	40%	0.396	51%	0.507	S	S	.	.			trans	-80.2	115.5	158.9	-172.3	4.3	0	0	0	108.9	T505 Y506	D503-T505 PolarHBondContact O-N 2.9Å; D503-T505 VanDerWaalsContact OD1-CG2 3.24Å; D503-T505 WeakPolarHBondContact OD1-CG2 3.49Å; D503-T505 PolarHBondContact OD1-N 3.36Å; D503-T505 PolarHBondContact OD1-OG1 3.47Å; D503-T505 PolarHBondContact OD2-OG1 3.23Å; D503-Y506 HydrophobicContact CB-CD2 4.42Å; D503-Y506 HydrophobicContact CB-CE2 4.04Å
504	P	32	Very low	29.3	Very low	51 Å²	51	94.6 Å²	94.6	33%	0.331	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-74.6	3.3	-177.8	-7.5	22.8	0	0	0	114.1	M502 Y506 N788 N923	M502-P504 WeakPolarHBondContact O-CD 3.3Å; P504-Y506 PolarHBondContact O-N 3.08Å; P504-N788 WeakPolarHBondContact CD-ND2 3.34Å; P504-N788 WeakPolarHBondContact CD-OD1 3.42Å; P504-N788 WeakPolarHBondContact CG-OD1 3.48Å; P504-N923 WeakPolarHBondContact CG-ND2 3.37Å
505	T	31.9	Very low	29.2	Very low	40 Å²	40	93.6 Å²	93.6	25%	0.245	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-66.4	-6	-174.5	51.2	0	0	0	0	115.1	D503 I558	D503-T505 PolarHBondContact O-N 2.9Å; D503-T505 VanDerWaalsContact OD1-CG2 3.24Å; D503-T505 WeakPolarHBondContact OD1-CG2 3.49Å; D503-T505 PolarHBondContact OD1-N 3.36Å; D503-T505 PolarHBondContact OD1-OG1 3.47Å; D503-T505 PolarHBondContact OD2-OG1 3.23Å; T505-I558 WeakPolarHBondContact O-CD1 3.48Å
506	Y	33.5	Very low	29	Very low	115 Å²	115	96.3 Å²	96.3	45%	0.451	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-103.6	-10.9	-161.5	-66.9	-76.7	0	0	0	118.2	L290 D503 P504	L290-Y506 HydrophobicContact CD1-CD1 3.56Å; L290-Y506 HydrophobicContact CD1-CE1 3.81Å; L290-Y506 HydrophobicContact CD1-CG 4.31Å; D503-Y506 HydrophobicContact CB-CD2 4.42Å; D503-Y506 HydrophobicContact CB-CE2 4.04Å; P504-Y506 PolarHBondContact O-N 3.08Å
507	F	30.5	Very low	28.8	Very low	60 Å²	60	93.6 Å²	93.6	26%	0.263	55%	0.547	S	S	.	.			trans	-138.3	22.6	-171.6	-65.6	-98.8	0	0	0	116.9	R283 L287 N509	R283-F507 HydrophobicContact CG-CD1 4.11Å; R283-F507 HydrophobicContact CG-CE1 3.54Å; R283-F507 VanDerWaalsContact NH1-CE1 3.27Å; L287-F507 HydrophobicContact CD1-CE1 4.32Å; L287-F507 HydrophobicContact CD1-CE2 4.33Å; L287-F507 HydrophobicContact CD1-CZ 3.86Å; L287-F507 HydrophobicContact CD2-CD2 4.5Å; L287-F507 HydrophobicContact CD2-CE1 4.33Å; L287-F507 HydrophobicContact CD2-CE2 3.24Å; L287-F507 HydrophobicContact CD2-CZ 3.19Å; L287-F507 HydrophobicContact CG-CE1 4.15Å; L287-F507 HydrophobicContact CG-CE2 3.94Å; L287-F507 HydrophobicContact CG-CZ 3.36Å; F507-N509 VanDerWaalsContact C-N 3.32Å; F507-N509 PolarHBondContact O-N 3.4Å
508	C	26.1	Very low	28.8	Very low	33 Å²	33	97.5 Å²	97.5	22%	0.223	55%	0.551	C	S	.	*			trans	-77.5	84.2	168	-175.5	0	0	0	0	110	I558 T816	C508-I558 HydrophobicContact CB-CD1 3.29Å; C508-I558 HydrophobicContact CB-CG1 3.91Å; C508-T816 HydrophobicContact CB-CG2 3.74Å
509	N	25.5	Very low	28.7	Very low	120 Å²	120	99.2 Å²	99.2	64%	0.642	57%	0.566	S	S	*	*			trans	167.4	94.4	150.9	-86.1	-16.9	0	0	0	108.9	F507	F507-N509 VanDerWaalsContact C-N 3.32Å; F507-N509 PolarHBondContact O-N 3.4Å
510	Q	26.7	Very low	28.5	Very low	159 Å²	159	100.7 Å²	100.7	74%	0.743	57%	0.567	S	S	*	*			trans	-177	108.6	138.8	-99.8	163.4	20.1	0	0	109.1	V512	Q510-V512 PolarHBondContact O-N 3.42Å
511	N	25.8	Very low	28.5	Very low	147 Å²	147	101.8 Å²	101.8	79%	0.786	58%	0.576	S	S	*	*			trans	-54.5	116.4	164	-68.6	-29.1	0	0	0	108.7	I513	N511-I513 HydrophobicContact CB-CG1 4.19Å; N511-I513 PolarHBondContact O-N 3.13Å
512	V	25.8	Very low	28.2	Very low	125 Å²	125	110.2 Å²	110.2	76%	0.758	61%	0.613	S	S	*	*			trans	-78.5	85	165.1	-178.4	0	0	0	0	107.1	Q510	Q510-V512 PolarHBondContact O-N 3.42Å
513	I	27.2	Very low	27.9	Very low	134 Å²	134	111.1 Å²	111.1	69%	0.687	64%	0.635	S	S	*	*			trans	-77.9	115.4	164.2	-65.7	174.4	0	0	0	106.7	N511 G515	N511-I513 HydrophobicContact CB-CG1 4.19Å; N511-I513 PolarHBondContact O-N 3.13Å; I513-G515 PolarHBondContact O-N 3.24Å; I513-G515 VanDerWaalsContact O-N 3.15Å
514	N	25	Very low	27.8	Very low	148 Å²	148	114.7 Å²	114.7	79%	0.791	66%	0.659	S	S	*	*			trans	-61.6	110.9	159.5	-80.2	-23.6	0	0	0	108.5
515	G	25.8	Very low	27.5	Very low	63 Å²	63	120 Å²	120	65%	0.649	68%	0.68	S	S	*	*			trans	132.2	84.9	159.5	0	0	0	0	0	115.8	I513	I513-G515 PolarHBondContact O-N 3.24Å; I513-G515 VanDerWaalsContact O-N 3.15Å
516	L	26.1	Very low	27.3	Very low	169 Å²	169	128.8 Å²	128.8	89%	0.885	71%	0.708	S	S	*	*			trans	-122.3	132.5	141.9	-83.3	168.2	0	0	0	108.3
517	P	24.4	Very low	26.9	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-75	143.3	-170.8	29	-31.9	0	0	0	111.7
518	I	29	Very low	26.7	Very low	145 Å²	145	140.6 Å²	140.6	74%	0.744	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.7	163.7	-55.7	169.2	0	0	0	107.1	N520	I518-N520 PolarHBondContact O-N 3.46Å
519	P	26.8	Very low	26.6	Very low	110 Å²	110	147.7 Å²	147.7	71%	0.714	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	130	170	-1.6	16.4	0	0	0	108.3
520	N	27.6	Very low	26.7	Very low	162 Å²	162	148 Å²	148	87%	0.866	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.7	48.5	173.3	-54.2	-15.6	0	0	0	118.7	I518	I518-N520 PolarHBondContact O-N 3.46Å
521	A	31.9	Very low	26.8	Very low	91 Å²	91	145.4 Å²	145.4	75%	0.752	79%	0.791	S	S	*	*			trans	-122.3	97.9	155.2	0	0	0	0	0	110.2
522	E	24.7	Very low	27	Very low	204 Å²	204	146.1 Å²	146.1	95%	0.953	80%	0.795	S	S	*	*			trans	-67.2	128.3	170.1	-63.6	-178	155.1	0	0	110
523	G	26.7	Very low	27.3	Very low	70 Å²	70	147 Å²	147	72%	0.722	80%	0.795	S	S	*	*			trans	155.5	92.5	165.3	0	0	0	0	0	117.7
524	V	30.6	Very low	27.5	Very low	148 Å²	148	148.1 Å²	148.1	90%	0.897	80%	0.803	S	S	*	*			trans	83.5	107	147.5	-164.1	0	0	0	0	119.2
525	Q	25.1	Very low	27.9	Very low	163 Å²	163	146.3 Å²	146.3	76%	0.762	80%	0.797	S	S	*	*			trans	-60.8	156	167.8	-62.3	175.1	-31.4	0	0	114.3
526	R	28.4	Very low	28	Very low	224 Å²	224	149.4 Å²	149.4	85%	0.845	80%	0.804	S	S	*	*				173.9	121.5	109.3	-89.1	-178.8	-175.9	-174.1	2	114.3
527	Y	24.9	Very low	28.3	Very low	192 Å²	192	145.3 Å²	145.3	75%	0.753	80%	0.802	S	S	*	*			trans	47.5	118.2	145.7	-64.6	-85.5	0	0	0	122.7
528	Y	27.1	Very low	28.5	Very low	231 Å²	231	146.9 Å²	146.9	91%	0.906	80%	0.803	S	S	*	*				-168.7	134.8	93.7	-102.9	-83.9	0	0	0	110.2
529	Q	23.8	Very low	28.7	Very low	182 Å²	182	146.2 Å²	146.2	85%	0.85	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-94.1	154	175.3	-70.5	175.1	-54.3	0	0	110.7
530	P	28.4	Very low	28.8	Very low	128 Å²	128	148.5 Å²	148.5	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-98.1	129.2	149.1	22.5	-6.3	0	0	0	110.8
531	S	26.8	Very low	28.9	Very low	103 Å²	103	143.7 Å²	143.7	72%	0.72	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.5	138.9	169.2	51.3	0	0	0	0	111.8
532	N	31.8	Very low	28.9	Very low	163 Å²	163	148.7 Å²	148.7	87%	0.872	80%	0.802	S	S	*	*				-144.9	118.9	129.7	-98.4	-10.9	0	0	0	108.9
533	N	32	Very low	29	Very low	142 Å²	142	147.7 Å²	147.7	76%	0.759	80%	0.797	S	S	*	*			trans	-75.6	132.4	163.7	-81	-28.4	0	0	0	108.5
534	D	31.6	Very low	29.3	Very low	158 Å²	158	153.5 Å²	153.5	85%	0.845	81%	0.805	S	S	*	*			trans	-178	85.3	132.3	-89.7	-17	0	0	0	105.9
535	V	32.3	Very low	29.2	Very low	110 Å²	110	153.2 Å²	153.2	67%	0.667	80%	0.799	S	S	*	*				72.7	88.9	87	-179.1	0	0	0	0	113.4
536	T	28.7	Very low	29.5	Very low	129 Å²	129	150.7 Å²	150.7	79%	0.791	80%	0.799	S	S	*	*			trans	60.3	122.5	133.4	65.6	0	0	0	0	121.7
537	G	30.8	Very low	29.3	Very low	82 Å²	82	146.7 Å²	146.7	85%	0.845	80%	0.795	S	S	*	*			trans	-168.6	66.4	166	0	0	0	0	0	113.5
538	L	30.2	Very low	29.5	Very low	148 Å²	148	144.4 Å²	144.4	78%	0.775	80%	0.795	S	S	*	*			trans	-26.5	138.5	170	-73.5	155.7	0	0	0	120.6
539	I	31.8	Very low	29.6	Very low	130 Å²	130	140.7 Å²	140.7	67%	0.667	79%	0.791	S	S	*	*				91.9	116.3	125	-67.9	171.9	0	0	0	121.3
540	N	30	Very low	29.7	Very low	158 Å²	158	141.4 Å²	141.4	85%	0.845	79%	0.794	S	S	*	*			trans	59.5	124.1	142.7	-64.8	-10.1	0	0	0	122.6
541	G	29.4	Very low	29.6	Very low	62 Å²	62	141.8 Å²	141.8	64%	0.639	79%	0.788	S	S	*	*			trans	159.6	106.6	134.2	0	0	0	0	0	117.2
542	H	32.4	Very low	29.6	Very low	195 Å²	195	143.5 Å²	143.5	90%	0.903	79%	0.789	S	S	*	*			trans	92.2	109.6	146.1	-65.8	68.4	0	0	0	120.5
543	H	27.1	Very low	29.4	Very low	183 Å²	183	144.2 Å²	144.2	85%	0.847	79%	0.792	S	S	*	*			trans	-45.7	136.1	157	-82.3	-78.7	0	0	0	113.6
544	H	33.2	Very low	29	Very low	193 Å²	193	144.7 Å²	144.7	89%	0.894	79%	0.792	S	S	*	*			trans	-140.1	129.8	130.7	-111.3	-57.3	0	0	0	111.3
545	N	26.5	Very low	28.8	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	78%	0.784	S	S	*	*			trans	-82.6	128.2	-178.4	-161.3	10.5	0	0	0	109.3
546	S	32.3	Very low	28.7	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	78%	0.783	S	S	*	*			trans	-154.5	87.7	166.7	171.6	0	0	0	0	110.4
547	N	25	Very low	28.7	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	78%	0.784	S	S	*	*			trans	-73.7	114.5	156	-83.5	-22.7	0	0	0	108.5
548	N	27.5	Very low	29.3	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	75%	0.752	S	S	*	*			trans	172.9	110.3	144.4	-93.2	-14.8	0	0	0	109.6
549	N	30.7	Very low	30.2	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	75%	0.753	S	S	*	*			trans	-179.2	81	133.3	-89.1	-11.8	0	0	0	110.2
550	H	25	Very low	31.8	Very low	197 Å²	197	136.2 Å²	136.2	91%	0.912	73%	0.729	S	S	*	*			trans	-84.3	90.9	149.4	-106.6	-29.4	0	0	0	106.9
551	I	26.4	Very low	33.6	Very low	135 Å²	135	131.7 Å²	131.7	69%	0.692	70%	0.704	S	S	*	*			trans	-164.3	110.3	158.8	-83.3	127.6	0	0	0	105.2
552	N	27.1	Very low	35.6	Very low	140 Å²	140	131.4 Å²	131.4	75%	0.749	69%	0.692	S	S	*	*			trans	150.1	71.5	152.2	-74.6	-18.9	0	0	0	111.4	M554	N552-M554 VanDerWaalsContact C-N 3.33Å
553	N	27.1	Very low	37.9	Very low	177 Å²	177	123 Å²	123	95%	0.947	65%	0.653	S	S	*	*			trans	-95.8	65.4	154.9	-97.4	5.8	0	0	0	108.5
554	M	23.9	Very low	40.2	Very low	153 Å²	153	121.4 Å²	121.4	75%	0.754	65%	0.646	S	S	*	*			trans	-86.6	140.8	159.3	-81.9	-67.3	-152.9	0	0	107.8	N552 T556	N552-M554 VanDerWaalsContact C-N 3.33Å; M554-T556 PolarHBondContact O-N 2.84Å
555	P	27.6	Very low	42.3	Very low	104 Å²	104	116.9 Å²	116.9	68%	0.675	63%	0.633	S	S	*	*			trans	-64	113.1	173.8	28.7	-31.7	0	0	0	107.2	M557	P555-M557 PolarHBondContact O-N 2.72Å
556	T	30	Very low	45	Very low	105 Å²	105	112 Å²	112	64%	0.644	61%	0.606	S	S	*	*			trans	-61	104.4	172.4	41.7	0	0	0	0	107.6	M554 I558	M554-T556 PolarHBondContact O-N 2.84Å; T556-I558 PolarHBondContact O-N 3.31Å
557	M	29.6	Very low	47.8	Very low	163 Å²	163	110.4 Å²	110.4	80%	0.803	59%	0.586	S	S	*	*			trans	-50.4	125	160.2	-83.8	-165.2	158.1	0	0	106.9	P555 T559	P555-M557 PolarHBondContact O-N 2.72Å; M557-T559 PolarHBondContact O-N 3.04Å
558	I	43.5	Very low	51	Low	37 Å²	37	104 Å²	104	19%	0.19	55%	0.552	C	S	.	*			trans	-68.8	86.8	173.9	-57.2	171.2	0	0	0	106	T505 C508 T556 R560 F787	T505-I558 WeakPolarHBondContact O-CD1 3.48Å; C508-I558 HydrophobicContact CB-CD1 3.29Å; C508-I558 HydrophobicContact CB-CG1 3.91Å; T556-I558 PolarHBondContact O-N 3.31Å; I558-R560 PolarHBondContact O-N 3.09Å; I558-F787 HydrophobicContact CG2-CZ 4.26Å
559	T	48	Very low	54.1	Low	129 Å²	129	99.4 Å²	99.4	79%	0.791	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-64.9	117.3	167.8	26.2	0	0	0	0	107	M557	M557-T559 PolarHBondContact O-N 3.04Å
560	R	65.3	Low	57.2	Low	40 Å²	40	92.2 Å²	92.2	15%	0.151	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.2	174.8	-76.1	-73.6	-71.9	-93.8	-19.3	109.6	I558 S562 Q784 S785 F787 E814	I558-R560 PolarHBondContact O-N 3.09Å; R560-S562 PolarHBondContact O-N 3.02Å; R560-Q784 VanDerWaalsContact NE-CD 3.27Å; R560-S785 PolarHBondContact NH1-O 3.23Å; R560-S785 PolarHBondContact NH2-O 3.07Å; R560-F787 HydrophobicContact CG-CD2 3.84Å; R560-F787 HydrophobicContact CG-CE2 3.32Å; R560-F787 HydrophobicContact CG-CZ 4.05Å; R560-E814 WeakPolarHBondContact CD-OE1 3.48Å; R560-E814 IonicContact NE-OE1 3.67Å
561	I	68.4	Low	60.2	Low	63 Å²	63	83.3 Å²	83.3	32%	0.323	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-57.5	117.7	174.7	-55.1	173.8	0	0	0	106.9	Q784 I813 E814	I561-Q784 PolarHBondContact O-NE2 2.85Å; I561-I813 HydrophobicContact CD1-CB 4.09Å; I561-I813 HydrophobicContact CD1-CG2 3.5Å; I561-I813 VanDerWaalsContact CD1-CG2 3.5Å; I561-E814 HydrophobicContact CD1-CG 3.78Å; I561-E814 HydrophobicContact CG1-CG 4.39Å
562	S	70.8	Confident	62.9	Low	56 Å²	56	79.1 Å²	79.1	39%	0.392	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-78.2	128.2	171	-65.8	0	0	0	0	107.2	R560 E564	R560-S562 PolarHBondContact O-N 3.02Å; S562-E564 PolarHBondContact O-N 3.22Å
563	F	81.7	Confident	65.7	Low	19 Å²	19	74.3 Å²	74.3	8%	0.083	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-63.7	128	176.8	-69.1	-46.7	0	0	0	109.9	D775 A777 Q782 Q784 T925 Y971	F563-D775 HydrophobicContact CE2-CB 3.81Å; F563-A777 HydrophobicContact CB-CB 4.41Å; F563-A777 HydrophobicContact CD1-CB 3.75Å; F563-A777 HydrophobicContact CD2-CB 4.27Å; F563-A777 HydrophobicContact CE1-CB 3.93Å; F563-A777 HydrophobicContact CE2-CB 4.37Å; F563-A777 HydrophobicContact CG-CB 3.91Å; F563-A777 HydrophobicContact CZ-CB 4.19Å; F563-Q782 HydrophobicContact CD1-CB 4.38Å; F563-Q782 HydrophobicContact CE1-CB 3.7Å; F563-Q782 HydrophobicContact CZ-CB 4.37Å; F563-Q784 HydrophobicContact CE1-CG 4.47Å; F563-Q784 HydrophobicContact CE2-CB 4.03Å; F563-Q784 HydrophobicContact CZ-CB 3.63Å; F563-Q784 HydrophobicContact CZ-CG 4.04Å; F563-T925 HydrophobicContact CE1-CG2 4.46Å; F563-Y971 HydrophobicContact CB-CE1 4.45Å; F563-Y971 VanDerWaalsContact CB-OH 3.3Å; F563-Y971 WeakPolarHBondContact CB-OH 3.4Å; F563-Y971 WeakPolarHBondContact CD2-OH 3.3Å
564	E	74.8	Confident	68.7	Low	150 Å²	150	66.2 Å²	66.2	70%	0.701	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-66.3	143.3	174.4	-65.8	-162	162.1	0	0	110.3	S562	S562-E564 PolarHBondContact O-N 3.22Å
565	P	77.3	Confident	71.9	Confident	97 Å²	97	60.5 Å²	60.5	63%	0.63	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-57.1	142.3	172	-19.5	30.5	0	0	0	110.5	H567	P565-H567 PolarHBondContact O-N 2.96Å
566	E	83.8	Confident	75	Confident	38 Å²	38	57.2 Å²	57.2	18%	0.178	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-67.9	117.6	176.2	-175.8	-175.5	-165.1	0	0	110.6	N602 K603 P778 D779	E566-N602 VanDerWaalsContact CG-ND2 3.33Å; E566-N602 WeakPolarHBondContact CG-ND2 3.49Å; E566-N602 PolarHBondContact OE1-ND2 2.91Å; E566-K603 WeakPolarHBondContact O-CE 3.18Å; E566-K603 PolarHBondContact O-NZ 3.42Å; E566-K603 WeakPolarHBondContact OE2-CE 3.32Å; E566-P778 HydrophobicContact CB-CB 4.11Å; E566-D779 HydrophobicContact CB-CB 4.5Å; E566-D779 HydrophobicContact CG-CB 4Å
567	H	89.5	Confident	77.5	Confident	77 Å²	77	57.6 Å²	57.6	36%	0.356	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-67.5	155.1	176.2	-63.3	-61.5	0	0	0	113.1	P565 R569 N602 E732	P565-H567 PolarHBondContact O-N 2.96Å; H567-R569 PolarHBondContact O-N 3.11Å; H567-N602 PolarHBondContact O-ND2 3.42Å; H567-E732 WeakPolarHBondContact CA-OE2 3.49Å; H567-E732 IonicContact CE1-OE1 3.66Å; H567-E732 IonicContact CG-OE1 2.69Å; H567-E732 IonicContact ND1-OE1 3.28Å; H567-E732 PolarHBondContact ND1-OE1 3.43Å; H567-E732 IonicContact ND1-OE2 3.09Å
568	W	93	Very high	80.2	Confident	6 Å²	6	50.4 Å²	50.4	2%	0.023	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-72.8	120.3	171.8	-79.9	75	0	0	0	110.3	K603 V605 P717 F730 E732 V747 A748 Q755	W568-K603 HydrophobicContact CD2-CB 4.14Å; W568-K603 HydrophobicContact CD2-CD 4.33Å; W568-K603 HydrophobicContact CE3-CB 4.02Å; W568-K603 HydrophobicContact CH2-CB 3.71Å; W568-K603 HydrophobicContact CZ2-CB 3.84Å; W568-K603 HydrophobicContact CZ2-CD 4.34Å; W568-K603 HydrophobicContact CZ3-CB 3.8Å; W568-K603 WeakPolarHBondContact CZ3-O 3.45Å; W568-V605 HydrophobicContact CH2-CG1 3.91Å; W568-P717 HydrophobicContact CZ3-CG 4.1Å; W568-F730 HydrophobicContact CB-CB 3.76Å; W568-F730 HydrophobicContact CB-CD2 3.73Å; W568-F730 HydrophobicContact CB-CG 3.83Å; W568-F730 HydrophobicContact CE3-CD1 4.45Å; W568-F730 HydrophobicContact CG-CB 4.4Å; W568-F730 VanDerWaalsContact O-CD2 3.27Å; W568-F730 WeakPolarHBondContact O-CD2 3.4Å; W568-E732 PolarHBondContact N-OE2 2.8Å; W568-V747 HydrophobicContact CD2-CB 4.48Å; W568-V747 HydrophobicContact CD2-CG2 4.22Å; W568-V747 HydrophobicContact CE3-CB 4.09Å; W568-V747 HydrophobicContact CE3-CG2 3.78Å; W568-V747 HydrophobicContact CH2-CB 3.86Å; W568-V747 HydrophobicContact CH2-CG2 4.47Å; W568-V747 HydrophobicContact CZ2-CB 4.24Å; W568-V747 WeakPolarHBondContact CZ2-O 3.39Å; W568-V747 HydrophobicContact CZ3-CB 3.78Å; W568-V747 HydrophobicContact CZ3-CG2 3.93Å; W568-A748 HydrophobicContact CG-CB 4.27Å; W568-Q755 HydrophobicContact CZ2-CG 4.06Å
569	R	93.2	Very high	82.4	Confident	48 Å²	48	49.6 Å²	49.6	18%	0.181	30%	0.302	C	S	.	.			trans	-153.3	158.4	-177.5	63.5	178.7	175.1	-164.7	-6.7	111.9	H567 R584 A601 N602 D779	H567-R569 PolarHBondContact O-N 3.11Å; R569-R584 VanDerWaalsContact CB-O 3.23Å; R569-R584 WeakPolarHBondContact CB-O 3.44Å; R569-A601 CarbonylContact O-C 3.24Å; R569-A601 VanDerWaalsContact O-CA 3.25Å; R569-A601 WeakPolarHBondContact O-CA 3.35Å; R569-N602 HydrophobicContact CG-CB 4.42Å; R569-N602 PolarHBondContact N-OD1 3.46Å; R569-N602 PolarHBondContact O-N 2.62Å; R569-N602 PolarHBondContact O-OD1 3.03Å; R569-D779 IonicContact NH2-OD2 2.77Å; R569-D779 PolarHBondContact NH2-OD2 2.96Å
570	I	94.7	Very high	84.2	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.4	161.6	-59.7	-55.1	0	0	0	108.9	I581 G585 V588 C599 A601 F728 F730	I570-I581 HydrophobicContact CG2-CD1 3.92Å; I570-G585 WeakPolarHBondContact CB-O 3.29Å; I570-G585 PolarHBondContact N-O 2.69Å; I570-V588 HydrophobicContact CB-CG2 4.12Å; I570-V588 HydrophobicContact CG1-CG2 3.96Å; I570-V588 HydrophobicContact CG2-CG2 4.18Å; I570-C599 HydrophobicContact CG2-CB 3.54Å; I570-A601 HydrophobicContact CD1-CB 4.28Å; I570-F728 HydrophobicContact CD1-CD1 4.31Å; I570-F728 HydrophobicContact CD1-CD2 4.04Å; I570-F728 HydrophobicContact CD1-CE1 3.97Å; I570-F728 HydrophobicContact CD1-CE2 3.68Å; I570-F728 HydrophobicContact CD1-CG 4.33Å; I570-F728 HydrophobicContact CD1-CZ 3.61Å; I570-F728 HydrophobicContact CG1-CD2 3.53Å; I570-F728 HydrophobicContact CG1-CE2 3.43Å; I570-F728 VanDerWaalsContact CG1-CE2 3.43Å; I570-F728 HydrophobicContact CG1-CG 4.14Å; I570-F728 HydrophobicContact CG1-CZ 3.95Å; I570-F730 HydrophobicContact CD1-CZ 4.03Å; I570-F730 HydrophobicContact CG1-CZ 4.44Å
571	T	89	Confident	85.3	Confident	10 Å²	10	45.9 Å²	45.9	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.1	179.6	179.2	0	0	0	0	110.8	A573 D574 R600	T571-A573 PolarHBondContact O-N 2.88Å; T571-A573 WeakPolarHBondContact OG1-CB 3.46Å; T571-A573 PolarHBondContact OG1-N 3.08Å; T571-D574 HydrophobicContact CG2-CB 3.64Å; T571-D574 PolarHBondContact O-N 3Å; T571-R600 WeakPolarHBondContact CG2-O 3.45Å; T571-R600 PolarHBondContact N-O 3.15Å; T571-R600 VanDerWaalsContact N-O 3.13Å
572	G	83.6	Confident	86.1	Confident	47 Å²	47	45.2 Å²	45.2	49%	0.485	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-9.5	171.5	0	0	0	0	0	113.8	C575	G572-C575 PolarHBondContact O-SG 3.35Å
573	A	84.1	Confident	86.5	Confident	38 Å²	38	47.5 Å²	47.5	31%	0.314	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-19.2	177.1	0	0	0	0	0	114.1	T571 N760 G762	T571-A573 PolarHBondContact O-N 2.88Å; T571-A573 WeakPolarHBondContact OG1-CB 3.46Å; T571-A573 PolarHBondContact OG1-N 3.08Å; A573-N760 WeakPolarHBondContact CB-O 3.43Å; A573-G762 VanDerWaalsContact CB-N 3.33Å
574	D	90.8	Very high	86.8	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	53.5	-176.5	-158.4	15.9	0	0	0	109.7	T571 C599 R600 L634 N758 N760	T571-D574 HydrophobicContact CG2-CB 3.64Å; T571-D574 PolarHBondContact O-N 3Å; D574-C599 WeakPolarHBondContact O-CA 3.27Å; D574-R600 HydrophobicContact CB-CB 4.44Å; D574-R600 VanDerWaalsContact CG-NE 3.32Å; D574-R600 PolarHBondContact O-N 3.11Å; D574-R600 IonicContact OD1-CZ 3.23Å; D574-R600 IonicContact OD1-NE 3.38Å; D574-R600 PolarHBondContact OD1-NE 3.42Å; D574-R600 IonicContact OD1-NH2 3.84Å; D574-R600 PolarHBondContact OD1-NH2 2.65Å; D574-R600 IonicContact OD2-CZ 2.69Å; D574-R600 IonicContact OD2-NE 3.92Å; D574-R600 PolarHBondContact OD2-NE 3.05Å; D574-R600 IonicContact OD2-NH2 2.62Å; D574-R600 PolarHBondContact OD2-NH2 3.36Å; D574-L634 WeakPolarHBondContact O-CD2 3.4Å; D574-N758 PolarHBondContact OD2-ND2 2.86Å; D574-N758 PolarHBondContact OD2-OD1 3.13Å; D574-N760 HydrophobicContact CB-CB 3.98Å; D574-N760 PolarHBondContact OD1-ND2 2.96Å
575	C	92.1	Very high	87.5	Confident	33 Å²	33	45.5 Å²	45.5	22%	0.223	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162	179.9	76.9	0	0	0	0	111.6	G572 L579 I581 G598 C599	G572-C575 PolarHBondContact O-SG 3.35Å; C575-L579 HydrophobicContact CB-CD1 4.12Å; C575-I581 HydrophobicContact CB-CD1 4.21Å; C575-G598 CarbonylContact C-O 3.52Å; C575-G598 WeakPolarHBondContact CA-O 3.45Å; C575-C599 HydrophobicContact CB-CB 3.75Å
576	T	91.5	Very high	88.3	Confident	35 Å²	35	42.3 Å²	42.3	22%	0.215	27%	0.272	C	S	.	.			trans	-80.1	151.7	171.7	58.8	0	0	0	0	110.8	G578 L579 Q597 G598 L634	T576-G578 PolarHBondContact O-N 2.78Å; T576-G578 VanDerWaalsContact O-N 3.12Å; T576-L579 PolarHBondContact O-N 3.04Å; T576-Q597 WeakPolarHBondContact OG1-CA 3.41Å; T576-Q597 WeakPolarHBondContact OG1-CB 3.28Å; T576-Q597 PolarHBondContact OG1-OE1 3.13Å; T576-G598 PolarHBondContact N-O 2.58Å; T576-G598 PolarHBondContact OG1-N 2.93Å; T576-L634 HydrophobicContact CG2-CB 3.96Å; T576-L634 HydrophobicContact CG2-CD1 3.8Å
577	A	83.6	Confident	88.8	Confident	113 Å²	113	41.6 Å²	41.6	93%	0.934	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-173.1	0	0	0	0	0	115	L579	A577-L579 VanDerWaalsContact C-N 3.32Å
578	G	85.9	Confident	89.1	Confident	13 Å²	13	38 Å²	38	13%	0.134	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.8	178.7	0	0	0	0	0	114.8	T576 T591 Q597	T576-G578 PolarHBondContact O-N 2.78Å; T576-G578 VanDerWaalsContact O-N 3.12Å; G578-T591 WeakPolarHBondContact O-CB 3.31Å; G578-T591 PolarHBondContact O-N 3.41Å; G578-T591 PolarHBondContact O-OG1 2.75Å; G578-Q597 VanDerWaalsContact CA-OE1 3.25Å
579	L	89.2	Confident	89.1	Confident	20 Å²	20	39.1 Å²	39.1	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.2	174.1	-70.6	179	0	0	0	111.8	C575 T576 A577 I581 V588 A589 Q597 G598 C599 L721	C575-L579 HydrophobicContact CB-CD1 4.12Å; T576-L579 PolarHBondContact O-N 3.04Å; A577-L579 VanDerWaalsContact C-N 3.32Å; L579-I581 HydrophobicContact CB-CG1 4.5Å; L579-V588 HydrophobicContact CD1-CG1 4.05Å; L579-V588 HydrophobicContact CD2-CG1 3.91Å; L579-V588 HydrophobicContact CG-CG1 4.37Å; L579-A589 CarbonylContact C-O 3.11Å; L579-A589 WeakPolarHBondContact CA-O 3.39Å; L579-A589 WeakPolarHBondContact CD2-O 3.42Å; L579-Q597 HydrophobicContact CD2-CB 3.57Å; L579-Q597 HydrophobicContact CG-CB 3.76Å; L579-G598 VanDerWaalsContact CD1-C 3.49Å; L579-G598 WeakPolarHBondContact CD1-O 3.3Å; L579-C599 HydrophobicContact CD1-CB 3.58Å; L579-L721 HydrophobicContact CD2-CD1 4.17Å
580	G	85.3	Confident	89.2	Confident	41 Å²	41	37.5 Å²	37.5	42%	0.423	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.3	159	0	0	0	0	0	109.5	V588 A589	G580-V588 WeakPolarHBondContact O-CA 3.33Å; G580-A589 PolarHBondContact N-O 2.6Å; G580-A589 PolarHBondContact O-N 2.75Å
581	I	88.5	Confident	88.8	Confident	50 Å²	50	41.1 Å²	41.1	26%	0.256	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.4	180	-58.2	167.9	0	0	0	107.6	I570 C575 L579 D587 V588	I570-I581 HydrophobicContact CG2-CD1 3.92Å; C575-I581 HydrophobicContact CB-CD1 4.21Å; L579-I581 HydrophobicContact CB-CG1 4.5Å; I581-D587 WeakPolarHBondContact CA-O 3.33Å; I581-V588 HydrophobicContact CG1-CG1 4.29Å; I581-V588 HydrophobicContact CG1-CG2 4.3Å; I581-V588 HydrophobicContact CG2-CG2 4.45Å
582	D	86.1	Confident	88.8	Confident	48 Å²	48	51.1 Å²	51.1	26%	0.257	32%	0.319	S	S	.	.			trans	-69.1	168	176	82.2	-31	0	0	0	112.7	R584 G585 L586 D587	D582-R584 PolarHBondContact O-N 3.34Å; D582-R584 VanDerWaalsContact O-N 3.13Å; D582-R584 IonicContact OD2-CZ 3.51Å; D582-R584 IonicContact OD2-NE 2.65Å; D582-R584 PolarHBondContact OD2-NE 2.8Å; D582-R584 VanDerWaalsContact OD2-NE 3.09Å; D582-R584 IonicContact OD2-NH2 3.34Å; D582-R584 PolarHBondContact OD2-NH2 3.48Å; D582-G585 PolarHBondContact O-N 2.83Å; D582-G585 WeakPolarHBondContact OD1-CA 3.44Å; D582-G585 PolarHBondContact OD1-N 3.08Å; D582-L586 PolarHBondContact OD1-N 3.37Å; D582-D587 HydrophobicContact CB-CB 3.93Å; D582-D587 PolarHBondContact N-O 3.19Å; D582-D587 PolarHBondContact OD1-N 3.01Å
583	A	79.4	Confident	89	Confident	105 Å²	105	52.2 Å²	52.2	87%	0.868	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.2	-177	0	0	0	0	0	113.9
584	R	86.5	Confident	89.1	Confident	124 Å²	124	52.4 Å²	52.4	47%	0.468	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.9	176.5	-61.6	176.3	-62.1	167.8	4.4	112.4	R569 D582 L586	R569-R584 VanDerWaalsContact CB-O 3.23Å; R569-R584 WeakPolarHBondContact CB-O 3.44Å; D582-R584 PolarHBondContact O-N 3.34Å; D582-R584 VanDerWaalsContact O-N 3.13Å; D582-R584 IonicContact OD2-CZ 3.51Å; D582-R584 IonicContact OD2-NE 2.65Å; D582-R584 PolarHBondContact OD2-NE 2.8Å; D582-R584 VanDerWaalsContact OD2-NE 3.09Å; D582-R584 IonicContact OD2-NH2 3.34Å; D582-R584 PolarHBondContact OD2-NH2 3.48Å; R584-L586 HydrophobicContact CB-CD1 4.42Å; R584-L586 HydrophobicContact CB-CG 4.21Å
585	G	89.8	Confident	89.1	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.031	34%	0.341	C	S	.	.	S	Bend	trans	73.5	28.1	-175.3	0	0	0	0	0	113.7	I570 D582	I570-G585 WeakPolarHBondContact CB-O 3.29Å; I570-G585 PolarHBondContact N-O 2.69Å; D582-G585 PolarHBondContact O-N 2.83Å; D582-G585 WeakPolarHBondContact OD1-CA 3.44Å; D582-G585 PolarHBondContact OD1-N 3.08Å
586	L	94.5	Very high	89.2	Confident	30 Å²	30	53.6 Å²	53.6	16%	0.157	34%	0.338	C	S	.	.			trans	-108.5	-33	178.5	-60.2	-179.4	0	0	0	111.6	D582 R584 L727 F728 F730	D582-L586 PolarHBondContact OD1-N 3.37Å; R584-L586 HydrophobicContact CB-CD1 4.42Å; R584-L586 HydrophobicContact CB-CG 4.21Å; L586-L727 HydrophobicContact CB-CD1 4.02Å; L586-L727 CarbonylContact O-C 3.38Å; L586-L727 WeakPolarHBondContact O-CA 3.46Å; L586-F728 PolarHBondContact O-N 2.82Å; L586-F730 HydrophobicContact CD2-CD2 3.77Å; L586-F730 HydrophobicContact CD2-CE2 3.78Å
587	D	94.3	Very high	89.4	Confident	23 Å²	23	53.2 Å²	53.2	12%	0.123	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.7	-179.8	-169.8	-36.3	0	0	0	109.8	I581 D582 R725 L727	I581-D587 WeakPolarHBondContact CA-O 3.33Å; D582-D587 HydrophobicContact CB-CB 3.93Å; D582-D587 PolarHBondContact N-O 3.19Å; D582-D587 PolarHBondContact OD1-N 3.01Å; D587-R725 IonicContact OD1-CZ 3.8Å; D587-R725 IonicContact OD1-NE 3.47Å; D587-R725 PolarHBondContact OD1-NE 2.9Å; D587-R725 IonicContact OD1-NH2 2.91Å; D587-R725 IonicContact OD2-CZ 3.81Å; D587-R725 IonicContact OD2-NE 3.13Å; D587-R725 PolarHBondContact OD2-NE 2.98Å; D587-R725 IonicContact OD2-NH2 3.26Å; D587-R725 PolarHBondContact OD2-NH2 3.15Å; D587-L727 HydrophobicContact CB-CD1 3.99Å
588	V	95.4	Very high	90	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.2	-173.7	-175	0	0	0	0	109.8	I570 L579 G580 I581 L721 R725 I726 F728	I570-V588 HydrophobicContact CB-CG2 4.12Å; I570-V588 HydrophobicContact CG1-CG2 3.96Å; I570-V588 HydrophobicContact CG2-CG2 4.18Å; L579-V588 HydrophobicContact CD1-CG1 4.05Å; L579-V588 HydrophobicContact CD2-CG1 3.91Å; L579-V588 HydrophobicContact CG-CG1 4.37Å; G580-V588 WeakPolarHBondContact O-CA 3.33Å; I581-V588 HydrophobicContact CG1-CG1 4.29Å; I581-V588 HydrophobicContact CG1-CG2 4.3Å; I581-V588 HydrophobicContact CG2-CG2 4.45Å; V588-L721 HydrophobicContact CB-CD1 4.23Å; V588-L721 HydrophobicContact CG1-CD1 3.78Å; V588-L721 VanDerWaalsContact O-CD1 3.31Å; V588-L721 WeakPolarHBondContact O-CD1 3.43Å; V588-R725 CarbonylContact O-C 3.43Å; V588-R725 VanDerWaalsContact O-CA 3.24Å; V588-R725 WeakPolarHBondContact O-CA 3.33Å; V588-R725 WeakPolarHBondContact O-CG 3.46Å; V588-I726 HydrophobicContact CB-CG1 4.37Å; V588-I726 PolarHBondContact N-O 3.24Å; V588-I726 PolarHBondContact O-N 3.11Å; V588-F728 HydrophobicContact CB-CE2 4.39Å; V588-F728 HydrophobicContact CG2-CD2 4.06Å; V588-F728 HydrophobicContact CG2-CE2 3.85Å
589	A	93.8	Very high	90.5	Very high	30 Å²	30	47.3 Å²	47.3	25%	0.248	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.6	179	0	0	0	0	0	111.1	L579 G580 R725	L579-A589 CarbonylContact C-O 3.11Å; L579-A589 WeakPolarHBondContact CA-O 3.39Å; L579-A589 WeakPolarHBondContact CD2-O 3.42Å; G580-A589 PolarHBondContact N-O 2.6Å; G580-A589 PolarHBondContact O-N 2.75Å; A589-R725 HydrophobicContact CB-CB 4.01Å; A589-R725 HydrophobicContact CB-CG 3.83Å
590	S	94.5	Very high	90.9	Very high	14 Å²	14	46.9 Å²	46.9	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	141	170.8	53.8	0	0	0	0	111.8	R592 D723 S724	S590-R592 PolarHBondContact O-N 3.14Å; S590-D723 PolarHBondContact OG-N 2.97Å; S590-S724 PolarHBondContact N-O 2.87Å; S590-S724 PolarHBondContact OG-N 3.33Å; S590-S724 PolarHBondContact OG-O 2.82Å
591	T	87.3	Confident	91.5	Very high	80 Å²	80	44.9 Å²	44.9	49%	0.491	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-65.8	129.8	173.2	-57.9	0	0	0	0	109.7	G578 G593 A594	G578-T591 WeakPolarHBondContact O-CB 3.31Å; G578-T591 PolarHBondContact O-N 3.41Å; G578-T591 PolarHBondContact O-OG1 2.75Å; T591-G593 PolarHBondContact O-N 2.95Å; T591-A594 VanDerWaalsContact O-CB 3.28Å; T591-A594 WeakPolarHBondContact O-CB 3.31Å; T591-A594 PolarHBondContact O-N 3.47Å; T591-A594 VanDerWaalsContact O-N 3.14Å
592	R	87.9	Confident	91.7	Very high	220 Å²	220	42.9 Å²	42.9	83%	0.83	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.4	177.8	-90.6	-170.5	176.4	-156.2	-0.7	111.9	S590 A594 D723	S590-R592 PolarHBondContact O-N 3.14Å; R592-A594 VanDerWaalsContact C-N 3.27Å; R592-A594 PolarHBondContact O-N 2.83Å; R592-D723 WeakPolarHBondContact CA-OD1 3.22Å
593	G	87.7	Confident	92.1	Very high	69 Å²	69	41.9 Å²	41.9	71%	0.711	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.7	-1.2	178.9	0	0	0	0	0	115.1	T591 G595 D723	T591-G593 PolarHBondContact O-N 2.95Å; G593-G595 PolarHBondContact O-N 3.13Å; G593-D723 PolarHBondContact N-OD1 3.1Å
594	A	87.3	Confident	92.9	Very high	42 Å²	42	36.9 Å²	36.9	35%	0.347	20%	0.202	S	C	.	.	S	Bend	trans	-77.4	-1.2	-179	0	0	0	0	0	114	T591 R592 Q597	T591-A594 VanDerWaalsContact O-CB 3.28Å; T591-A594 WeakPolarHBondContact O-CB 3.31Å; T591-A594 PolarHBondContact O-N 3.47Å; T591-A594 VanDerWaalsContact O-N 3.14Å; R592-A594 VanDerWaalsContact C-N 3.27Å; R592-A594 PolarHBondContact O-N 2.83Å; A594-Q597 HydrophobicContact CB-CG 4.03Å; A594-Q597 PolarHBondContact O-NE2 3.38Å
595	G	91.3	Very high	93.4	Very high	23 Å²	23	31 Å²	31	24%	0.237	18%	0.18	C	C	.	.			trans	75.3	-155.2	-173.7	0	0	0	0	0	112.3	G593 K722	G593-G595 PolarHBondContact O-N 3.13Å; G595-K722 WeakPolarHBondContact O-CB 3.3Å
596	W	93.7	Very high	93.7	Very high	42 Å²	42	34.3 Å²	34.3	16%	0.159	19%	0.193	C	C	.	.			trans	-72.7	127.7	176.9	-74.6	109.4	0	0	0	110.9	L622 R624 E635 S720 K722	W596-L622 HydrophobicContact CH2-CB 3.52Å; W596-L622 HydrophobicContact CZ2-CB 3.83Å; W596-L622 HydrophobicContact CZ2-CD1 4.03Å; W596-L622 HydrophobicContact CZ3-CB 4.19Å; W596-R624 HydrophobicContact CH2-CG 3.76Å; W596-R624 HydrophobicContact CZ3-CB 4.47Å; W596-R624 HydrophobicContact CZ3-CG 3.92Å; W596-E635 HydrophobicContact CB-CG 3.94Å; W596-E635 HydrophobicContact CG-CG 4.2Å; W596-S720 WeakPolarHBondContact CZ3-O 3.47Å; W596-K722 HydrophobicContact CD2-CB 3.98Å; W596-K722 HydrophobicContact CE3-CB 3.99Å; W596-K722 HydrophobicContact CG-CB 4.39Å; W596-K722 HydrophobicContact CZ3-CB 4.41Å
597	Q	96	Very high	93.6	Very high	27 Å²	27	35.1 Å²	35.1	13%	0.126	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	128.1	-178	-62.5	-61.1	-46.1	0	0	108.7	T576 G578 L579 A594 S720 L721	T576-Q597 WeakPolarHBondContact OG1-CA 3.41Å; T576-Q597 WeakPolarHBondContact OG1-CB 3.28Å; T576-Q597 PolarHBondContact OG1-OE1 3.13Å; G578-Q597 VanDerWaalsContact CA-OE1 3.25Å; L579-Q597 HydrophobicContact CD2-CB 3.57Å; L579-Q597 HydrophobicContact CG-CB 3.76Å; A594-Q597 HydrophobicContact CB-CG 4.03Å; A594-Q597 PolarHBondContact O-NE2 3.38Å; Q597-S720 CarbonylContact O-C 3.51Å; Q597-S720 VanDerWaalsContact O-CA 3.22Å; Q597-S720 WeakPolarHBondContact O-CA 3.39Å; Q597-L721 PolarHBondContact N-O 3.46Å; Q597-L721 PolarHBondContact O-N 3.4Å
598	G	96.2	Very high	93.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.8	-165.1	0	0	0	0	0	114.8	C575 T576 L579 L634 A719	C575-G598 CarbonylContact C-O 3.52Å; C575-G598 WeakPolarHBondContact CA-O 3.45Å; T576-G598 PolarHBondContact N-O 2.58Å; T576-G598 PolarHBondContact OG1-N 2.93Å; L579-G598 VanDerWaalsContact CD1-C 3.49Å; L579-G598 WeakPolarHBondContact CD1-O 3.3Å; G598-L634 WeakPolarHBondContact CA-O 3.29Å; G598-A719 CarbonylContact C-O 3.56Å; G598-A719 VanDerWaalsContact CA-O 3.23Å; G598-A719 WeakPolarHBondContact CA-O 3.3Å
599	C	96.8	Very high	93.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	161.1	-178.2	62.1	0	0	0	0	113.2	I570 D574 C575 L579 A718 A719	I570-C599 HydrophobicContact CG2-CB 3.54Å; D574-C599 WeakPolarHBondContact O-CA 3.27Å; C575-C599 HydrophobicContact CB-CB 3.75Å; L579-C599 HydrophobicContact CD1-CB 3.58Å; C599-A718 VanDerWaalsContact O-CA 3.31Å; C599-A718 WeakPolarHBondContact O-CA 3.31Å; C599-A718 WeakPolarHBondContact O-CB 3.37Å; C599-A719 PolarHBondContact N-O 3.36Å; C599-A719 PolarHBondContact O-N 2.87Å; C599-A719 VanDerWaalsContact O-N 3.09Å
600	R	97.2	Very high	93.5	Very high	10 Å²	10	38 Å²	38	4%	0.038	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.2	171.5	-80.4	-178.8	-75.2	-113.2	-3.4	111.8	T571 D574 S628 T629 A632 L634 L716 A718	T571-R600 WeakPolarHBondContact CG2-O 3.45Å; T571-R600 PolarHBondContact N-O 3.15Å; T571-R600 VanDerWaalsContact N-O 3.13Å; D574-R600 HydrophobicContact CB-CB 4.44Å; D574-R600 VanDerWaalsContact CG-NE 3.32Å; D574-R600 PolarHBondContact O-N 3.11Å; D574-R600 IonicContact OD1-CZ 3.23Å; D574-R600 IonicContact OD1-NE 3.38Å; D574-R600 PolarHBondContact OD1-NE 3.42Å; D574-R600 IonicContact OD1-NH2 3.84Å; D574-R600 PolarHBondContact OD1-NH2 2.65Å; D574-R600 IonicContact OD2-CZ 2.69Å; D574-R600 IonicContact OD2-NE 3.92Å; D574-R600 PolarHBondContact OD2-NE 3.05Å; D574-R600 IonicContact OD2-NH2 2.62Å; D574-R600 PolarHBondContact OD2-NH2 3.36Å; R600-S628 VanDerWaalsContact CD-OG 3.29Å; R600-S628 WeakPolarHBondContact CD-OG 3.4Å; R600-S628 WeakPolarHBondContact CG-OG 3.48Å; R600-T629 PolarHBondContact NH1-O 2.96Å; R600-A632 PolarHBondContact NH1-O 3.23Å; R600-L634 HydrophobicContact CG-CD2 4.46Å; R600-L716 HydrophobicContact CG-CB 4.5Å; R600-A718 HydrophobicContact CG-CB 3.96Å
601	A	96.8	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	159.5	170.5	0	0	0	0	0	112.3	R569 I570 K603 L716 P717 F730 N758	R569-A601 CarbonylContact O-C 3.24Å; R569-A601 VanDerWaalsContact O-CA 3.25Å; R569-A601 WeakPolarHBondContact O-CA 3.35Å; I570-A601 HydrophobicContact CD1-CB 4.28Å; A601-K603 WeakPolarHBondContact CB-O 3.04Å; A601-K603 PolarHBondContact O-N 2.83Å; A601-L716 WeakPolarHBondContact O-CD2 3.41Å; A601-P717 HydrophobicContact CB-CB 4.03Å; A601-P717 HydrophobicContact CB-CG 4.2Å; A601-P717 PolarHBondContact N-O 3.36Å; A601-F730 HydrophobicContact CB-CZ 4.39Å; A601-N758 PolarHBondContact O-ND2 2.95Å
602	N	93.4	Very high	94.2	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.043	20%	0.197	C	C	.	.	S	Bend	trans	-68.2	-18.4	173.3	64.4	-29.7	0	0	0	113.3	E566 H567 R569 N758	E566-N602 VanDerWaalsContact CG-ND2 3.33Å; E566-N602 WeakPolarHBondContact CG-ND2 3.49Å; E566-N602 PolarHBondContact OE1-ND2 2.91Å; H567-N602 PolarHBondContact O-ND2 3.42Å; R569-N602 HydrophobicContact CG-CB 4.42Å; R569-N602 PolarHBondContact N-OD1 3.46Å; R569-N602 PolarHBondContact O-N 2.62Å; R569-N602 PolarHBondContact O-OD1 3.03Å; N602-N758 WeakPolarHBondContact O-CB 3.36Å; N602-N758 PolarHBondContact O-N 3.15Å
603	K	94	Very high	94.7	Very high	26 Å²	26	23.1 Å²	23.1	11%	0.113	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.4	-178.7	-63.1	174.4	-179.7	-173.4	0	110.9	E566 W568 A601 V756	E566-K603 WeakPolarHBondContact O-CE 3.18Å; E566-K603 PolarHBondContact O-NZ 3.42Å; E566-K603 WeakPolarHBondContact OE2-CE 3.32Å; W568-K603 HydrophobicContact CD2-CB 4.14Å; W568-K603 HydrophobicContact CD2-CD 4.33Å; W568-K603 HydrophobicContact CE3-CB 4.02Å; W568-K603 HydrophobicContact CH2-CB 3.71Å; W568-K603 HydrophobicContact CZ2-CB 3.84Å; W568-K603 HydrophobicContact CZ2-CD 4.34Å; W568-K603 HydrophobicContact CZ3-CB 3.8Å; W568-K603 WeakPolarHBondContact CZ3-O 3.45Å; A601-K603 WeakPolarHBondContact CB-O 3.04Å; A601-K603 PolarHBondContact O-N 2.83Å; K603-V756 CarbonylContact C-O 3.54Å; K603-V756 WeakPolarHBondContact CA-O 3.25Å
604	G	96	Very high	95.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	-179.2	172.9	0	0	0	0	0	111.4	F715 Q755 V756	G604-F715 CarbonylContact C-O 3.52Å; G604-F715 WeakPolarHBondContact CA-O 3.47Å; G604-Q755 WeakPolarHBondContact O-CA 3.26Å; G604-V756 PolarHBondContact N-O 2.86Å; G604-V756 PolarHBondContact O-N 2.93Å
605	V	97.4	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.2	-177.5	-64.3	0	0	0	0	110.3	W568 Y611 W627 L684 A714 F715 V747 S754	W568-V605 HydrophobicContact CH2-CG1 3.91Å; V605-Y611 HydrophobicContact CB-CD1 4.12Å; V605-Y611 HydrophobicContact CB-CD2 3.66Å; V605-Y611 HydrophobicContact CB-CE1 4.19Å; V605-Y611 HydrophobicContact CB-CE2 3.72Å; V605-Y611 HydrophobicContact CB-CG 3.84Å; V605-Y611 HydrophobicContact CG1-CD1 3.77Å; V605-Y611 HydrophobicContact CG1-CD2 4.23Å; V605-Y611 HydrophobicContact CG1-CE1 3.99Å; V605-Y611 HydrophobicContact CG1-CE2 4.41Å; V605-Y611 HydrophobicContact CG1-CG 3.88Å; V605-Y611 HydrophobicContact CG2-CD1 4.38Å; V605-Y611 HydrophobicContact CG2-CD2 3.41Å; V605-Y611 VanDerWaalsContact CG2-CD2 3.41Å; V605-Y611 HydrophobicContact CG2-CE2 3.96Å; V605-Y611 HydrophobicContact CG2-CG 3.64Å; V605-W627 HydrophobicContact CG2-CH2 4.16Å; V605-W627 HydrophobicContact CG2-CZ3 3.78Å; V605-L684 HydrophobicContact CG2-CD2 4.01Å; V605-A714 WeakPolarHBondContact O-CA 3.4Å; V605-F715 PolarHBondContact N-O 2.84Å; V605-F715 PolarHBondContact O-N 2.91Å; V605-V747 HydrophobicContact CG1-CG1 4.29Å; V605-S754 WeakPolarHBondContact CA-O 3.22Å
606	K	95.5	Very high	95.9	Very high	73 Å²	73	18 Å²	18	32%	0.317	11%	0.105	S	C	.	.			trans	-130.3	164.3	172	66.7	178.2	176.1	-172.9	0	110.3	Y611 A714 D753 S754 V756	K606-Y611 PolarHBondContact O-OH 3.43Å; K606-A714 HydrophobicContact CB-CB 4.25Å; K606-D753 WeakPolarHBondContact CE-O 3.23Å; K606-D753 PolarHBondContact NZ-O 3.26Å; K606-S754 WeakPolarHBondContact CG-O 3.41Å; K606-S754 PolarHBondContact N-O 3.35Å; K606-V756 HydrophobicContact CB-CG2 4.05Å; K606-V756 HydrophobicContact CD-CG2 3.68Å; K606-V756 HydrophobicContact CG-CG2 3.8Å
607	A	92.5	Very high	96	Very high	48 Å²	48	16.2 Å²	16.2	40%	0.397	10%	0.099	S	C	.	.	S	Bend	trans	-60.6	150.8	-179.3	0	0	0	0	0	111.9	L686	A607-L686 HydrophobicContact CB-CB 3.98Å; A607-L686 HydrophobicContact CB-CD1 4.32Å
608	P	93.8	Very high	95.8	Very high	92 Å²	92	17.6 Å²	17.6	60%	0.597	11%	0.107	S	C	*	.	S	Bend	cis	-86.4	157.9	1.3	35.1	-34.6	0	0	0	113.2	Y611 D687	P608-Y611 PolarHBondContact O-OH 2.91Å; P608-D687 VanDerWaalsContact CA-OD1 3.3Å; P608-D687 WeakPolarHBondContact CA-OD1 3.38Å; P608-D687 VanDerWaalsContact CB-OD1 3.27Å; P608-D687 WeakPolarHBondContact CB-OD1 2.99Å
609	G	93.2	Very high	95.6	Very high	8 Å²	8	21.6 Å²	21.6	8%	0.082	13%	0.125	C	C	.	.	S	Bend	trans	137.9	162.3	170.5	0	0	0	0	0	115.5	L686 D687	G609-L686 WeakPolarHBondContact O-CB 3.31Å; G609-L686 PolarHBondContact O-N 3.08Å; G609-D687 WeakPolarHBondContact CA-OD2 3.46Å; G609-D687 VanDerWaalsContact N-CG 3.33Å; G609-D687 PolarHBondContact N-OD1 3.18Å; G609-D687 PolarHBondContact N-OD2 2.7Å
610	A	95.9	Very high	95.1	Very high	12 Å²	12	27 Å²	27	10%	0.099	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.8	169.7	0	0	0	0	0	110	L684 D685 F744 I745	A610-L684 CarbonylContact C-O 3.55Å; A610-L684 WeakPolarHBondContact CA-O 3.24Å; A610-D685 HydrophobicContact CB-CB 4.1Å; A610-F744 CarbonylContact O-C 3.54Å; A610-I745 PolarHBondContact O-N 3Å
611	Y	97.8	Very high	94.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.8	-169.7	-59.7	-74.8	0	0	0	112.1	V605 K606 P608 L684 L686 I745 S754	V605-Y611 HydrophobicContact CB-CD1 4.12Å; V605-Y611 HydrophobicContact CB-CD2 3.66Å; V605-Y611 HydrophobicContact CB-CE1 4.19Å; V605-Y611 HydrophobicContact CB-CE2 3.72Å; V605-Y611 HydrophobicContact CB-CG 3.84Å; V605-Y611 HydrophobicContact CG1-CD1 3.77Å; V605-Y611 HydrophobicContact CG1-CD2 4.23Å; V605-Y611 HydrophobicContact CG1-CE1 3.99Å; V605-Y611 HydrophobicContact CG1-CE2 4.41Å; V605-Y611 HydrophobicContact CG1-CG 3.88Å; V605-Y611 HydrophobicContact CG2-CD1 4.38Å; V605-Y611 HydrophobicContact CG2-CD2 3.41Å; V605-Y611 VanDerWaalsContact CG2-CD2 3.41Å; V605-Y611 HydrophobicContact CG2-CE2 3.96Å; V605-Y611 HydrophobicContact CG2-CG 3.64Å; K606-Y611 PolarHBondContact O-OH 3.43Å; P608-Y611 PolarHBondContact O-OH 2.91Å; Y611-L684 PolarHBondContact N-O 3.41Å; Y611-L684 PolarHBondContact O-N 2.94Å; Y611-L686 HydrophobicContact CD2-CD1 4.13Å; Y611-L686 HydrophobicContact CE2-CD1 3.94Å; Y611-I745 CarbonylContact C-O 3.58Å; Y611-I745 VanDerWaalsContact CA-O 3.28Å; Y611-I745 WeakPolarHBondContact CA-O 3.39Å; Y611-I745 HydrophobicContact CD1-CB 4.07Å; Y611-I745 HydrophobicContact CD1-CG2 4.34Å; Y611-I745 HydrophobicContact CE1-CB 4.27Å; Y611-I745 HydrophobicContact CE1-CD1 4.28Å; Y611-I745 HydrophobicContact CE1-CG2 4.35Å; Y611-S754 WeakPolarHBondContact OH-CB 3.44Å; Y611-S754 PolarHBondContact OH-OG 3.46Å; Y611-S754 VanDerWaalsContact OH-OG 3.06Å
612	Y	97.9	Very high	94.4	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146	-175.3	-176.1	-96.9	0	0	0	112.4	E614 G681 C682 L683 S694 L736 F738 P740 F744 I745 P746 V747	Y612-E614 HydrophobicContact CE1-CG 3.59Å; Y612-E614 WeakPolarHBondContact CE1-OE1 3.27Å; Y612-E614 WeakPolarHBondContact OH-CG 3.42Å; Y612-E614 PolarHBondContact OH-OE1 3.14Å; Y612-G681 WeakPolarHBondContact OH-CA 3.2Å; Y612-C682 WeakPolarHBondContact CA-O 3.25Å; Y612-L683 HydrophobicContact CD2-CB 4.04Å; Y612-L683 HydrophobicContact CD2-CD1 4.28Å; Y612-S694 PolarHBondContact OH-OG 2.65Å; Y612-L736 HydrophobicContact CD1-CD1 3.6Å; Y612-L736 HydrophobicContact CD1-CD2 4.17Å; Y612-L736 HydrophobicContact CD1-CG 4.45Å; Y612-L736 HydrophobicContact CE1-CD1 3.93Å; Y612-L736 HydrophobicContact CE1-CD2 4.1Å; Y612-L736 HydrophobicContact CE1-CG 4.43Å; Y612-F738 PolarHBondContact OH-O 2.65Å; Y612-P740 HydrophobicContact CD1-CG 4.48Å; Y612-P740 HydrophobicContact CD2-CG 3.88Å; Y612-P740 HydrophobicContact CE2-CG 4.05Å; Y612-P740 HydrophobicContact CG-CG 4.09Å; Y612-F744 HydrophobicContact CD1-CD2 4.34Å; Y612-F744 HydrophobicContact CD1-CE2 4.2Å; Y612-F744 HydrophobicContact CG-CD2 4.25Å; Y612-I745 PolarHBondContact N-O 2.89Å; Y612-P746 WeakPolarHBondContact O-CA 3.49Å; Y612-V747 PolarHBondContact O-N 3.36Å
613	Y	98	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	168	168.3	75.7	-86.8	0	0	0	109.8	V625 G626 W627 C682 P717 A718 F728 F730 V747	Y613-V625 HydrophobicContact CE2-CG1 3.95Å; Y613-V625 WeakPolarHBondContact OH-CG1 3.01Å; Y613-G626 WeakPolarHBondContact OH-CA 3.48Å; Y613-G626 PolarHBondContact OH-N 3.14Å; Y613-G626 PolarHBondContact OH-O 2.79Å; Y613-W627 AromaticContact CD1-CH2 3.8Å; Y613-W627 HydrophobicContact CD1-CH2 3.8Å; Y613-W627 AromaticContact CD1-CZ2 3.58Å; Y613-W627 HydrophobicContact CD1-CZ2 3.58Å; Y613-W627 HydrophobicContact CD1-CZ3 4.47Å; Y613-W627 HydrophobicContact CE1-CD2 4.16Å; Y613-W627 AromaticContact CE1-CE2 3.7Å; Y613-W627 HydrophobicContact CE1-CE3 4.43Å; Y613-W627 HydrophobicContact CE1-CH2 4.03Å; Y613-W627 AromaticContact CE1-CZ2 3.66Å; Y613-W627 HydrophobicContact CE1-CZ2 3.66Å; Y613-W627 HydrophobicContact CE1-CZ3 4.38Å; Y613-C682 HydrophobicContact CD1-CB 3.84Å; Y613-C682 HydrophobicContact CE1-CB 3.39Å; Y613-C682 HydrophobicContact CE2-CB 4.17Å; Y613-C682 HydrophobicContact CG-CB 4.4Å; Y613-C682 PolarHBondContact N-O 2.93Å; Y613-C682 PolarHBondContact O-N 3.03Å; Y613-P717 HydrophobicContact CD1-CB 3.99Å; Y613-P717 HydrophobicContact CD1-CG 3.94Å; Y613-P717 HydrophobicContact CD2-CB 4.45Å; Y613-P717 HydrophobicContact CE1-CB 3.6Å; Y613-P717 HydrophobicContact CE1-CG 3.95Å; Y613-P717 HydrophobicContact CE2-CB 4.14Å; Y613-P717 HydrophobicContact CG-CB 4.39Å; Y613-P717 HydrophobicContact CG-CG 4.48Å; Y613-A718 PolarHBondContact OH-O 2.82Å; Y613-F728 HydrophobicContact CD2-CD1 4.13Å; Y613-F728 AromaticContact CE2-CD1 3.83Å; Y613-F728 HydrophobicContact CE2-CD1 3.83Å; Y613-F728 AromaticContact CE2-CE1 3.82Å; Y613-F728 HydrophobicContact CE2-CE1 3.82Å; Y613-F730 HydrophobicContact CD2-CD1 4.26Å; Y613-F730 HydrophobicContact CD2-CE1 4.1Å; Y613-F730 HydrophobicContact CG-CD1 4.21Å; Y613-F730 HydrophobicContact CG-CE1 4.37Å; Y613-V747 HydrophobicContact CD1-CG1 4.49Å
614	E	98.1	Very high	94.5	Very high	3 Å²	3	28 Å²	28	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.8	-178.8	-75.8	169.7	177.9	0	0	112.7	Y612 V679 I680 N729 L736 E737 F738	Y612-E614 HydrophobicContact CE1-CG 3.59Å; Y612-E614 WeakPolarHBondContact CE1-OE1 3.27Å; Y612-E614 WeakPolarHBondContact OH-CG 3.42Å; Y612-E614 PolarHBondContact OH-OE1 3.14Å; E614-V679 HydrophobicContact CB-CG1 3.95Å; E614-V679 HydrophobicContact CG-CG1 4.05Å; E614-I680 CarbonylContact C-O 3.4Å; E614-I680 VanDerWaalsContact CA-O 3.3Å; E614-I680 WeakPolarHBondContact CA-O 3.42Å; E614-N729 HydrophobicContact CB-CB 4.21Å; E614-N729 PolarHBondContact N-O 2.89Å; E614-N729 PolarHBondContact O-N 2.72Å; E614-L736 HydrophobicContact CB-CD2 4.19Å; E614-L736 HydrophobicContact CG-CD2 3.95Å; E614-L736 WeakPolarHBondContact OE2-CA 3.24Å; E614-E737 PolarHBondContact OE2-N 3.15Å; E614-F738 VanDerWaalsContact OE1-CA 3.27Å; E614-F738 WeakPolarHBondContact OE1-CA 3.24Å; E614-F738 PolarHBondContact OE1-N 3.17Å
615	A	97.7	Very high	94.6	Very high	1 Å²	1	28 Å²	28	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	121.6	168.8	0	0	0	0	0	110.5	V625 I680 I726 L727 F728	A615-V625 HydrophobicContact CB-CG1 3.78Å; A615-V625 HydrophobicContact CB-CG2 4.18Å; A615-I680 PolarHBondContact N-O 3.38Å; A615-I680 PolarHBondContact O-N 2.69Å; A615-I726 HydrophobicContact CB-CD1 4.34Å; A615-L727 CarbonylContact C-O 3.53Å; A615-L727 VanDerWaalsContact CA-O 3.28Å; A615-L727 WeakPolarHBondContact CA-O 3.49Å; A615-F728 HydrophobicContact CB-CD1 4.42Å
616	A	96.9	Very high	94.6	Very high	21 Å²	21	28 Å²	28	17%	0.174	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.2	175.5	0	0	0	0	0	110.7	L618 D678 V679 I726 L727	A616-L618 PolarHBondContact O-N 3.29Å; A616-D678 WeakPolarHBondContact CA-O 3.41Å; A616-V679 HydrophobicContact CB-CG2 4.09Å; A616-I726 CarbonylContact O-C 3.51Å; A616-I726 WeakPolarHBondContact O-CA 3.26Å; A616-I726 WeakPolarHBondContact O-CB 3.14Å; A616-L727 HydrophobicContact CB-CB 4.42Å; A616-L727 PolarHBondContact N-O 2.87Å; A616-L727 PolarHBondContact O-N 3.09Å
617	C	94.8	Very high	94.7	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.034	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	110.4	175	-172.4	0	0	0	0	109.9	E619 I623 V674 H675 G677 D678	C617-E619 PolarHBondContact SG-O 2.62Å; C617-I623 HydrophobicContact CB-CD1 4.13Å; C617-V674 HydrophobicContact CB-CG1 4.31Å; C617-H675 WeakPolarHBondContact CB-O 3.46Å; C617-G677 WeakPolarHBondContact O-CA 3.42Å; C617-G677 PolarHBondContact O-N 3.03Å; C617-D678 PolarHBondContact N-O 3.23Å
618	L	92.5	Very high	94.9	Very high	57 Å²	57	22.3 Å²	22.3	30%	0.298	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-28.9	-176.2	-62.5	-173.3	0	0	0	113.2	A616 Q676 R725 L727	A616-L618 PolarHBondContact O-N 3.29Å; L618-Q676 WeakPolarHBondContact O-CG 3.45Å; L618-Q676 PolarHBondContact O-NE2 2.93Å; L618-R725 HydrophobicContact CB-CB 4.32Å; L618-R725 HydrophobicContact CB-CG 4.06Å; L618-R725 HydrophobicContact CD1-CG 4.08Å; L618-R725 PolarHBondContact N-O 3.3Å; L618-L727 HydrophobicContact CD1-CB 3.88Å; L618-L727 HydrophobicContact CD2-CB 4.21Å; L618-L727 HydrophobicContact CG-CB 4.06Å
619	E	90.9	Very high	95.1	Very high	84 Å²	84	18 Å²	18	39%	0.393	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.9	-179.4	-66.9	178.4	-159.1	0	0	111	C617 S724 R725	C617-E619 PolarHBondContact SG-O 2.62Å; E619-S724 PolarHBondContact O-OG 2.77Å; E619-R725 HydrophobicContact CB-CB 3.98Å; E619-R725 HydrophobicContact CG-CB 3.94Å; E619-R725 PolarHBondContact N-O 2.87Å; E619-R725 WeakPolarHBondContact OE1-CD 3.13Å; E619-R725 IonicContact OE1-NH1 3.76Å
620	E	86.2	Confident	95.1	Very high	115 Å²	115	18.1 Å²	18.1	54%	0.537	10%	0.1	S	C	.	.	S	Bend	trans	-51.7	142.8	172.1	-85.4	-80.1	153.6	0	0	111.6	H675 Q676	E620-H675 IonicContact OE1-ND1 2.61Å; E620-Q676 HydrophobicContact CG-CB 4.05Å
621	G	87.9	Confident	95	Very high	25 Å²	25	22 Å²	22	26%	0.258	12%	0.119	S	C	.	.	S	Bend	trans	150.1	-166	178.6	0	0	0	0	0	111.5	S647	G621-S647 PolarHBondContact O-OG 3.48Å
622	L	91.9	Very high	94.9	Very high	31 Å²	31	22.3 Å²	22.3	16%	0.162	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.8	-179.7	-51.8	-179.3	0	0	0	110.4	W596 S647 A649 K722	W596-L622 HydrophobicContact CH2-CB 3.52Å; W596-L622 HydrophobicContact CZ2-CB 3.83Å; W596-L622 HydrophobicContact CZ2-CD1 4.03Å; W596-L622 HydrophobicContact CZ3-CB 4.19Å; L622-S647 WeakPolarHBondContact CA-O 3.17Å; L622-S647 WeakPolarHBondContact CA-OG 3.24Å; L622-S647 WeakPolarHBondContact CB-O 3.36Å; L622-A649 HydrophobicContact CD1-CB 3.41Å; L622-A649 VanDerWaalsContact CD1-CB 3.41Å; L622-A649 HydrophobicContact CD2-CB 4.09Å; L622-A649 HydrophobicContact CG-CB 4.35Å; L622-K722 HydrophobicContact CB-CB 4.23Å; L622-K722 HydrophobicContact CD1-CD 4.19Å; L622-K722 PolarHBondContact N-O 3.27Å; L622-K722 PolarHBondContact O-N 3.25Å
623	I	94.3	Very high	94.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.2	179.6	66.8	173.3	0	0	0	111.5	C617 G646 S647 V674 I680 S720 L721 S724 I726	C617-I623 HydrophobicContact CB-CD1 4.13Å; I623-G646 CarbonylContact O-C 3.4Å; I623-G646 WeakPolarHBondContact O-CA 3.47Å; I623-S647 PolarHBondContact N-O 2.88Å; I623-S647 VanDerWaalsContact N-O 3.15Å; I623-S647 PolarHBondContact N-OG 2.89Å; I623-S647 PolarHBondContact O-N 2.84Å; I623-V674 HydrophobicContact CD1-CG1 3.97Å; I623-I680 HydrophobicContact CD1-CD1 3.66Å; I623-I680 HydrophobicContact CG1-CD1 4.4Å; I623-S720 CarbonylContact C-O 3.54Å; I623-S720 WeakPolarHBondContact CA-O 3.39Å; I623-L721 HydrophobicContact CB-CD2 3.98Å; I623-L721 HydrophobicContact CG2-CD2 3.54Å; I623-S724 WeakPolarHBondContact CG2-OG 3.33Å; I623-I726 HydrophobicContact CD1-CG2 4.21Å; I623-I726 HydrophobicContact CG2-CG2 4.07Å
624	R	95.4	Very high	94.6	Very high	8 Å²	8	27.8 Å²	27.8	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.9	166.6	-63.5	178	-169.8	150.9	4	107.4	W596 E635 L636 Y645 D648 A719 S720	W596-R624 HydrophobicContact CH2-CG 3.76Å; W596-R624 HydrophobicContact CZ3-CB 4.47Å; W596-R624 HydrophobicContact CZ3-CG 3.92Å; R624-E635 IonicContact CZ-OE1 2.77Å; R624-E635 IonicContact NH1-OE1 2.87Å; R624-E635 PolarHBondContact NH1-OE1 3.43Å; R624-E635 IonicContact NH2-OE1 2.74Å; R624-L636 HydrophobicContact CB-CB 4.38Å; R624-L636 HydrophobicContact CB-CD2 4.4Å; R624-L636 WeakPolarHBondContact CD-O 3.28Å; R624-L636 PolarHBondContact NH1-O 3.1Å; R624-Y645 CarbonylContact C-O 3.55Å; R624-Y645 WeakPolarHBondContact CA-O 3.15Å; R624-D648 IonicContact CZ-OD2 3.21Å; R624-D648 IonicContact NE-OD2 3.86Å; R624-D648 PolarHBondContact NE-OD2 3.11Å; R624-D648 IonicContact NH2-OD1 3.51Å; R624-D648 IonicContact NH2-OD2 3.38Å; R624-D648 PolarHBondContact NH2-OD2 2.84Å; R624-A719 CarbonylContact O-C 3.57Å; R624-A719 WeakPolarHBondContact O-CA 3.27Å; R624-A719 WeakPolarHBondContact O-CB 3.42Å; R624-S720 PolarHBondContact N-O 3.36Å; R624-S720 PolarHBondContact O-N 3.07Å
625	V	97.2	Very high	94.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.3	177.2	-170	0	0	0	0	109.3	Y613 A615 Y645 I680 W693 A719 I726 F728	Y613-V625 HydrophobicContact CE2-CG1 3.95Å; Y613-V625 WeakPolarHBondContact OH-CG1 3.01Å; A615-V625 HydrophobicContact CB-CG1 3.78Å; A615-V625 HydrophobicContact CB-CG2 4.18Å; V625-Y645 PolarHBondContact N-O 2.63Å; V625-Y645 PolarHBondContact O-N 3.33Å; V625-I680 HydrophobicContact CB-CD1 4.46Å; V625-I680 HydrophobicContact CG2-CD1 4.11Å; V625-W693 PolarHBondContact O-NE1 2.66Å; V625-A719 HydrophobicContact CG2-CB 4.28Å; V625-I726 HydrophobicContact CG2-CD1 4.08Å; V625-F728 HydrophobicContact CG1-CE1 4.41Å
626	G	97.7	Very high	94.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-141.1	177.4	0	0	0	0	0	113.8	Y613 F643 A718	Y613-G626 WeakPolarHBondContact OH-CA 3.48Å; Y613-G626 PolarHBondContact OH-N 3.14Å; Y613-G626 PolarHBondContact OH-O 2.79Å; G626-F643 CarbonylContact C-O 3.53Å; G626-F643 WeakPolarHBondContact CA-O 3.32Å; G626-A718 PolarHBondContact N-O 2.83Å; G626-A718 PolarHBondContact O-N 2.87Å; G626-A718 VanDerWaalsContact O-O 3.13Å
627	W	98.2	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.3	-165	-61.4	94	0	0	0	111.1	V605 Y613 F643 L684 F715 P717 V747	V605-W627 HydrophobicContact CG2-CH2 4.16Å; V605-W627 HydrophobicContact CG2-CZ3 3.78Å; Y613-W627 AromaticContact CD1-CH2 3.8Å; Y613-W627 HydrophobicContact CD1-CH2 3.8Å; Y613-W627 AromaticContact CD1-CZ2 3.58Å; Y613-W627 HydrophobicContact CD1-CZ2 3.58Å; Y613-W627 HydrophobicContact CD1-CZ3 4.47Å; Y613-W627 HydrophobicContact CE1-CD2 4.16Å; Y613-W627 AromaticContact CE1-CE2 3.7Å; Y613-W627 HydrophobicContact CE1-CE3 4.43Å; Y613-W627 HydrophobicContact CE1-CH2 4.03Å; Y613-W627 AromaticContact CE1-CZ2 3.66Å; Y613-W627 HydrophobicContact CE1-CZ2 3.66Å; Y613-W627 HydrophobicContact CE1-CZ3 4.38Å; W627-F643 PolarHBondContact N-O 2.89Å; W627-F643 PolarHBondContact O-N 3.21Å; W627-L684 HydrophobicContact CD2-CB 3.8Å; W627-L684 HydrophobicContact CD2-CD2 3.75Å; W627-L684 HydrophobicContact CD2-CG 4.32Å; W627-L684 HydrophobicContact CE3-CB 4.4Å; W627-L684 HydrophobicContact CE3-CD2 3.65Å; W627-L684 HydrophobicContact CG-CB 4.19Å; W627-L684 HydrophobicContact CG-CD2 4.27Å; W627-L684 HydrophobicContact CH2-CB 4.12Å; W627-L684 HydrophobicContact CH2-CD2 4.2Å; W627-L684 HydrophobicContact CZ2-CB 3.53Å; W627-L684 HydrophobicContact CZ2-CD2 4.36Å; W627-L684 HydrophobicContact CZ3-CD2 3.88Å; W627-F715 HydrophobicContact CB-CB 4.42Å; W627-F715 HydrophobicContact CB-CD1 4.05Å; W627-F715 HydrophobicContact CE3-CB 3.95Å; W627-P717 HydrophobicContact CE3-CG 4.49Å; W627-P717 HydrophobicContact CH2-CG 4.42Å; W627-P717 HydrophobicContact CZ3-CG 3.95Å; W627-V747 HydrophobicContact CH2-CG1 3.55Å; W627-V747 HydrophobicContact CZ3-CG1 4.25Å
628	S	97.7	Very high	94.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.6	174.4	66.8	0	0	0	0	111.7	R600 Y641 F715 L716 A718	R600-S628 VanDerWaalsContact CD-OG 3.29Å; R600-S628 WeakPolarHBondContact CD-OG 3.4Å; R600-S628 WeakPolarHBondContact CG-OG 3.48Å; S628-Y641 WeakPolarHBondContact CA-O 3.28Å; S628-F715 CarbonylContact O-C 3.56Å; S628-F715 WeakPolarHBondContact O-CA 3.47Å; S628-L716 PolarHBondContact N-O 2.77Å; S628-L716 PolarHBondContact O-N 2.73Å; S628-A718 WeakPolarHBondContact OG-CB 3.44Å
629	T	96.4	Very high	94.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.154	C	C	.	.			trans	-77.6	166	163.7	75.7	0	0	0	0	109.9	R600 D631 A632 Y641 L710 E713 F715	R600-T629 PolarHBondContact NH1-O 2.96Å; T629-D631 PolarHBondContact O-N 2.87Å; T629-D631 PolarHBondContact OG1-N 3.07Å; T629-A632 WeakPolarHBondContact O-CB 3.27Å; T629-A632 PolarHBondContact O-N 3.28Å; T629-Y641 PolarHBondContact N-O 3.42Å; T629-Y641 VanDerWaalsContact N-O 3.08Å; T629-L710 HydrophobicContact CG2-CD2 4.45Å; T629-E713 HydrophobicContact CG2-CB 4.19Å; T629-F715 HydrophobicContact CG2-CD1 4.25Å; T629-F715 HydrophobicContact CG2-CE1 3.89Å; T629-F715 HydrophobicContact CG2-CZ 4.15Å
630	N	93.9	Very high	94.5	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	174.3	-99.1	114.2	0	0	0	114.2	A632 L716 N758 R759	N630-A632 VanDerWaalsContact C-N 3.33Å; N630-L716 HydrophobicContact CB-CD1 4.4Å; N630-L716 WeakPolarHBondContact OD1-CD1 3.44Å; N630-N758 PolarHBondContact ND2-OD1 2.84Å; N630-R759 HydrophobicContact CB-CB 4.33Å; N630-R759 HydrophobicContact CB-CG 4.18Å; N630-R759 PolarHBondContact ND2-N 2.83Å; N630-R759 PolarHBondContact OD1-N 3.16Å
631	D	93.7	Very high	95	Very high	94 Å²	94	26.5 Å²	26.5	50%	0.503	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.4	-177.8	-58.6	-53.4	0	0	0	112.6	T629 R759	T629-D631 PolarHBondContact O-N 2.87Å; T629-D631 PolarHBondContact OG1-N 3.07Å; D631-R759 VanDerWaalsContact CG-NH1 3.26Å; D631-R759 IonicContact OD1-CZ 3.47Å; D631-R759 IonicContact OD1-NH1 2.65Å; D631-R759 PolarHBondContact OD1-NH1 3.24Å; D631-R759 IonicContact OD1-NH2 3.84Å; D631-R759 IonicContact OD2-CZ 2.7Å; D631-R759 VanDerWaalsContact OD2-CZ 3.3Å; D631-R759 IonicContact OD2-NH1 3.44Å; D631-R759 PolarHBondContact OD2-NH1 2.9Å; D631-R759 IonicContact OD2-NH2 2.97Å; D631-R759 PolarHBondContact OD2-NH2 2.88Å
632	A	95.1	Very high	95.4	Very high	8 Å²	8	25.3 Å²	25.3	7%	0.066	13%	0.13	C	C	.	.	S	Bend	trans	-72	154.2	179.1	0	0	0	0	0	112.8	R600 T629 N630 D639	R600-A632 PolarHBondContact NH1-O 3.23Å; T629-A632 WeakPolarHBondContact O-CB 3.27Å; T629-A632 PolarHBondContact O-N 3.28Å; N630-A632 VanDerWaalsContact C-N 3.33Å; A632-D639 VanDerWaalsContact CA-OD2 3.25Å; A632-D639 WeakPolarHBondContact CA-OD2 3.39Å
633	N	95.6	Very high	95.7	Very high	84 Å²	84	23.9 Å²	23.9	45%	0.449	12%	0.122	S	C	.	.			trans	-59.7	139.8	162.7	-165.8	-35.9	0	0	0	109.5	E635 A638 D639	N633-E635 PolarHBondContact O-N 2.85Å; N633-E635 PolarHBondContact OD1-N 3.32Å; N633-A638 HydrophobicContact CB-CB 4.48Å; N633-D639 HydrophobicContact CB-CB 4.43Å; N633-D639 PolarHBondContact N-OD2 2.86Å
634	L	95.3	Very high	95.8	Very high	33 Å²	33	23.9 Å²	23.9	17%	0.173	12%	0.122	C	C	.	.	S	Bend	trans	-66.3	-25.5	175.3	-73	174.1	0	0	0	112	D574 T576 G598 R600 L636 S720	D574-L634 WeakPolarHBondContact O-CD2 3.4Å; T576-L634 HydrophobicContact CG2-CB 3.96Å; T576-L634 HydrophobicContact CG2-CD1 3.8Å; G598-L634 WeakPolarHBondContact CA-O 3.29Å; R600-L634 HydrophobicContact CG-CD2 4.46Å; L634-L636 PolarHBondContact O-N 2.8Å; L634-S720 PolarHBondContact O-OG 2.59Å
635	E	95.2	Very high	95.8	Very high	60 Å²	60	23.5 Å²	23.5	28%	0.28	12%	0.12	S	C	.	.	S	Bend	trans	-71.4	94.8	163.9	-168.7	-179.8	159	0	0	109.7	W596 R624 N633 G637 A638 S720	W596-E635 HydrophobicContact CB-CG 3.94Å; W596-E635 HydrophobicContact CG-CG 4.2Å; R624-E635 IonicContact CZ-OE1 2.77Å; R624-E635 IonicContact NH1-OE1 2.87Å; R624-E635 PolarHBondContact NH1-OE1 3.43Å; R624-E635 IonicContact NH2-OE1 2.74Å; N633-E635 PolarHBondContact O-N 2.85Å; N633-E635 PolarHBondContact OD1-N 3.32Å; E635-G637 PolarHBondContact O-N 2.78Å; E635-A638 HydrophobicContact CB-CB 4.13Å; E635-A638 HydrophobicContact CG-CB 4.28Å; E635-A638 WeakPolarHBondContact O-CB 3.2Å; E635-A638 PolarHBondContact O-N 3.23Å; E635-S720 WeakPolarHBondContact CA-OG 3.39Å
636	L	96.3	Very high	95.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.8	-171.3	-173.8	64.2	0	0	0	111.3	R624 L634 A718 S720	R624-L636 HydrophobicContact CB-CB 4.38Å; R624-L636 HydrophobicContact CB-CD2 4.4Å; R624-L636 WeakPolarHBondContact CD-O 3.28Å; R624-L636 PolarHBondContact NH1-O 3.1Å; L634-L636 PolarHBondContact O-N 2.8Å; L636-A718 HydrophobicContact CD1-CB 4.01Å; L636-A718 HydrophobicContact CD2-CB 4.36Å; L636-S720 WeakPolarHBondContact CB-OG 3.36Å; L636-S720 PolarHBondContact N-OG 3.42Å
637	G	93.9	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	0.5	-178	0	0	0	0	0	114.6	E635 D639 M662 H663 R664 N665	E635-G637 PolarHBondContact O-N 2.78Å; G637-D639 VanDerWaalsContact C-N 3.3Å; G637-D639 PolarHBondContact O-N 2.87Å; G637-M662 WeakPolarHBondContact CA-O 3.5Å; G637-H663 CarbonylContact O-C 3.53Å; G637-H663 VanDerWaalsContact O-C 3.24Å; G637-H663 WeakPolarHBondContact O-CA 3.45Å; G637-R664 PolarHBondContact O-N 3.06Å; G637-N665 PolarHBondContact O-N 3.25Å
638	A	94.1	Very high	93.8	Very high	12 Å²	12	25.3 Å²	25.3	10%	0.099	13%	0.132	C	C	.	.	S	Bend	trans	-73.7	-19.7	178.4	0	0	0	0	0	113.9	N633 E635 N665	N633-A638 HydrophobicContact CB-CB 4.48Å; E635-A638 HydrophobicContact CB-CB 4.13Å; E635-A638 HydrophobicContact CG-CB 4.28Å; E635-A638 WeakPolarHBondContact O-CB 3.2Å; E635-A638 PolarHBondContact O-N 3.23Å; A638-N665 VanDerWaalsContact CA-OD1 3.27Å; A638-N665 WeakPolarHBondContact CA-OD1 3.42Å; A638-N665 PolarHBondContact O-N 2.94Å; A638-N665 PolarHBondContact O-ND2 2.83Å
639	D	94.8	Very high	92.2	Very high	34 Å²	34	28.3 Å²	28.3	18%	0.182	16%	0.157	C	C	.	.	S	Bend	trans	-132	-169.1	-173.6	72.5	5.5	0	0	0	113.6	A632 N633 G637 Y641 G642 H663 R664	A632-D639 VanDerWaalsContact CA-OD2 3.25Å; A632-D639 WeakPolarHBondContact CA-OD2 3.39Å; N633-D639 HydrophobicContact CB-CB 4.43Å; N633-D639 PolarHBondContact N-OD2 2.86Å; G637-D639 VanDerWaalsContact C-N 3.3Å; G637-D639 PolarHBondContact O-N 2.87Å; D639-Y641 PolarHBondContact O-N 3Å; D639-Y641 WeakPolarHBondContact OD1-CA 3.32Å; D639-Y641 PolarHBondContact OD1-N 3.1Å; D639-G642 PolarHBondContact OD1-N 2.9Å; D639-H663 PolarHBondContact O-ND1 2.61Å; D639-R664 VanDerWaalsContact O-CA 3.29Å; D639-R664 WeakPolarHBondContact O-CA 3.43Å; D639-R664 WeakPolarHBondContact O-CG 3.49Å; D639-R664 PolarHBondContact O-N 2.88Å
640	N	94.3	Very high	90	Very high	63 Å²	63	33.2 Å²	33.2	34%	0.337	19%	0.186	S	C	.	.	S	Bend	trans	-78.6	-1.5	-178.5	-61.9	-27.1	0	0	0	114.4	H663 R664	N640-H663 PolarHBondContact O-CE1 3.21Å; N640-R664 HydrophobicContact CB-CG 4.48Å; N640-R664 WeakPolarHBondContact OD1-CD 3.49Å; N640-R664 WeakPolarHBondContact OD1-CG 3.48Å; N640-R664 PolarHBondContact OD1-NE 3.01Å; N640-R664 VanDerWaalsContact OD1-NE 3.14Å
641	Y	96.6	Very high	87.5	Confident	88 Å²	88	35.3 Å²	35.3	35%	0.345	21%	0.211	S	C	.	.	S	Bend	trans	-123.2	-10.8	-166	-60.5	-73.8	0	0	0	113.3	S628 T629 D639 L710	S628-Y641 WeakPolarHBondContact CA-O 3.28Å; T629-Y641 PolarHBondContact N-O 3.42Å; T629-Y641 VanDerWaalsContact N-O 3.08Å; D639-Y641 PolarHBondContact O-N 3Å; D639-Y641 WeakPolarHBondContact OD1-CA 3.32Å; D639-Y641 PolarHBondContact OD1-N 3.1Å; Y641-L710 HydrophobicContact CD1-CD2 3.51Å; Y641-L710 HydrophobicContact CE1-CD2 3.77Å
642	G	96.5	Very high	84.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.3	175	0	0	0	0	0	113.9	D639 H663	D639-G642 PolarHBondContact OD1-N 2.9Å; G642-H663 PolarHBondContact O-ND1 3.02Å
643	F	97.2	Very high	82.4	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	119.1	178.1	-56.4	-91.6	0	0	0	109.1	G626 W627 H663 I691 W693 F704 P707 L710 F715	G626-F643 CarbonylContact C-O 3.53Å; G626-F643 WeakPolarHBondContact CA-O 3.32Å; W627-F643 PolarHBondContact N-O 2.89Å; W627-F643 PolarHBondContact O-N 3.21Å; F643-H663 HydrophobicContact CD1-CB 4.11Å; F643-H663 AromaticContact CD1-CE1 3.96Å; F643-H663 AromaticContact CD1-CG 3.76Å; F643-H663 AromaticContact CD1-ND1 3.48Å; F643-H663 WeakPolarHBondContact CD1-ND1 3.29Å; F643-H663 HydrophobicContact CE1-CB 4.42Å; F643-H663 AromaticContact CE1-CD2 3.83Å; F643-H663 AromaticContact CE1-CE1 3.28Å; F643-H663 WeakPolarHBondContact CE1-CE1 3.41Å; F643-H663 AromaticContact CE1-CG 3.63Å; F643-H663 AromaticContact CE1-ND1 3.28Å; F643-H663 VanDerWaalsContact CE1-ND1 3.28Å; F643-H663 WeakPolarHBondContact CE1-ND1 3.24Å; F643-H663 AromaticContact CE1-NE2 3.65Å; F643-H663 AromaticContact CZ-CE1 3.39Å; F643-H663 WeakPolarHBondContact CZ-CE1 3.29Å; F643-H663 AromaticContact CZ-ND1 3.76Å; F643-H663 AromaticContact CZ-NE2 3.97Å; F643-I691 HydrophobicContact CB-CD1 3.99Å; F643-I691 HydrophobicContact CD1-CD1 3.83Å; F643-I691 HydrophobicContact CD2-CD1 3.43Å; F643-I691 VanDerWaalsContact CD2-CD1 3.43Å; F643-I691 HydrophobicContact CE1-CD1 4.13Å; F643-I691 HydrophobicContact CE2-CD1 3.79Å; F643-I691 HydrophobicContact CG-CD1 3.47Å; F643-I691 VanDerWaalsContact CG-CD1 3.47Å; F643-I691 HydrophobicContact CZ-CD1 4.12Å; F643-W693 HydrophobicContact CB-CH2 4.07Å; F643-W693 HydrophobicContact CB-CZ2 4.29Å; F643-F704 HydrophobicContact CD1-CB 4.19Å; F643-F704 AromaticContact CD1-CD2 3.71Å; F643-F704 HydrophobicContact CD1-CD2 3.71Å; F643-F704 HydrophobicContact CD1-CE2 4.21Å; F643-F704 AromaticContact CD1-CG 3.96Å; F643-F704 HydrophobicContact CD1-CG 3.96Å; F643-F704 HydrophobicContact CE1-CB 4.24Å; F643-F704 HydrophobicContact CE1-CD2 4.47Å; F643-F704 HydrophobicContact CE1-CG 4.27Å; F643-P707 HydrophobicContact CZ-CG 4.37Å; F643-L710 HydrophobicContact CE2-CD1 3.89Å; F643-L710 HydrophobicContact CZ-CD1 4.02Å; F643-F715 HydrophobicContact CD2-CE1 4.2Å; F643-F715 AromaticContact CE2-CE1 3.88Å; F643-F715 HydrophobicContact CE2-CE1 3.88Å; F643-F715 HydrophobicContact CE2-CZ 4.43Å
644	G	96	Very high	80.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.5	-177	0	0	0	0	0	113.1	V661 M662	G644-V661 CarbonylContact O-C 3.59Å; G644-V661 VanDerWaalsContact O-CA 3.29Å; G644-V661 WeakPolarHBondContact O-CA 3.22Å; G644-M662 PolarHBondContact N-O 3.31Å; G644-M662 VanDerWaalsContact N-O 3.07Å; G644-M662 PolarHBondContact O-N 3.04Å
645	Y	95.3	Very high	77.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.1	171.8	167.8	-106	0	0	0	111	R624 V625 R660 V661 Y670 I672 V674 I680 W693 F700	R624-Y645 CarbonylContact C-O 3.55Å; R624-Y645 WeakPolarHBondContact CA-O 3.15Å; V625-Y645 PolarHBondContact N-O 2.63Å; V625-Y645 PolarHBondContact O-N 3.33Å; Y645-R660 VanDerWaalsContact CA-O 3.31Å; Y645-R660 WeakPolarHBondContact CA-O 3.31Å; Y645-R660 WeakPolarHBondContact CD2-O 3.29Å; Y645-V661 HydrophobicContact CD2-CG1 3.8Å; Y645-V661 HydrophobicContact CG-CG1 4.38Å; Y645-Y670 AromaticContact CD2-CD1 3.77Å; Y645-Y670 HydrophobicContact CD2-CD1 3.77Å; Y645-Y670 HydrophobicContact CD2-CE1 4.41Å; Y645-Y670 AromaticContact CE2-CD1 3.76Å; Y645-Y670 HydrophobicContact CE2-CD1 3.76Å; Y645-Y670 HydrophobicContact CE2-CE1 4.48Å; Y645-Y670 WeakPolarHBondContact CE2-O 2.87Å; Y645-I672 PolarHBondContact OH-N 2.74Å; Y645-I672 PolarHBondContact OH-O 2.99Å; Y645-V674 HydrophobicContact CE1-CG2 3.95Å; Y645-I680 HydrophobicContact CD1-CD1 4.32Å; Y645-I680 HydrophobicContact CD1-CG2 3.75Å; Y645-I680 HydrophobicContact CE1-CD1 4.42Å; Y645-I680 HydrophobicContact CE1-CG1 4.4Å; Y645-I680 HydrophobicContact CE1-CG2 4.11Å; Y645-W693 VanDerWaalsContact CB-CD2 3.45Å; Y645-W693 HydrophobicContact CD1-CB 3.83Å; Y645-W693 AromaticContact CD1-CD1 3.99Å; Y645-W693 AromaticContact CD1-CG 3.9Å; Y645-W693 HydrophobicContact CD1-CG 3.9Å; Y645-W693 HydrophobicContact CE1-CB 4.36Å; Y645-W693 HydrophobicContact CG-CB 4.06Å; Y645-W693 HydrophobicContact CG-CD2 4.14Å; Y645-W693 AromaticContact CG-CG 3.87Å; Y645-W693 HydrophobicContact CG-CG 3.87Å; Y645-F700 HydrophobicContact CE1-CE2 4.17Å; Y645-F700 HydrophobicContact CE2-CE2 4.44Å; Y645-F700 AromaticContact CZ-CE2 3.74Å; Y645-F700 VanDerWaalsContact OH-CE2 3.29Å; Y645-F700 WeakPolarHBondContact OH-CE2 3.49Å
646	G	92.1	Very high	76	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.4	-142.4	169	0	0	0	0	0	113.4	I623 R660	I623-G646 CarbonylContact O-C 3.4Å; I623-G646 WeakPolarHBondContact O-CA 3.47Å; G646-R660 PolarHBondContact N-O 2.67Å; G646-R660 PolarHBondContact O-N 3.28Å
647	S	86.3	Confident	74.7	Confident	18 Å²	18	44.6 Å²	44.6	13%	0.126	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.9	179.9	51.8	0	0	0	0	111.2	G621 L622 I623	G621-S647 PolarHBondContact O-OG 3.48Å; L622-S647 WeakPolarHBondContact CA-O 3.17Å; L622-S647 WeakPolarHBondContact CA-OG 3.24Å; L622-S647 WeakPolarHBondContact CB-O 3.36Å; I623-S647 PolarHBondContact N-O 2.88Å; I623-S647 VanDerWaalsContact N-O 3.15Å; I623-S647 PolarHBondContact N-OG 2.89Å; I623-S647 PolarHBondContact O-N 2.84Å
648	D	73.6	Confident	74.1	Confident	19 Å²	19	46.3 Å²	46.3	10%	0.102	30%	0.299	C	S	.	.			trans	-137	149	179.4	-158.9	-27.8	0	0	0	111.1	R624 V650	R624-D648 IonicContact CZ-OD2 3.21Å; R624-D648 IonicContact NE-OD2 3.86Å; R624-D648 PolarHBondContact NE-OD2 3.11Å; R624-D648 IonicContact NH2-OD1 3.51Å; R624-D648 IonicContact NH2-OD2 3.38Å; R624-D648 PolarHBondContact NH2-OD2 2.84Å; D648-V650 PolarHBondContact OD1-N 2.97Å
649	A	64.5	Low	73.7	Confident	65 Å²	65	46 Å²	46	54%	0.537	30%	0.296	S	S	.	.			trans	-99.1	-7.5	-175.3	0	0	0	0	0	114.8	L622 G651	L622-A649 HydrophobicContact CD1-CB 3.41Å; L622-A649 VanDerWaalsContact CD1-CB 3.41Å; L622-A649 HydrophobicContact CD2-CB 4.09Å; L622-A649 HydrophobicContact CG-CB 4.35Å; A649-G651 PolarHBondContact O-N 2.77Å; A649-G651 VanDerWaalsContact O-N 3.11Å
650	V	49.8	Very low	73.5	Confident	104 Å²	104	46.9 Å²	46.9	63%	0.63	30%	0.297	S	S	*	.	S	Bend	trans	-89.1	87.9	-171	-169.1	0	0	0	0	112.5	D648 R660	D648-V650 PolarHBondContact OD1-N 2.97Å; V650-R660 PolarHBondContact O-NH1 2.71Å
651	G	40.8	Very low	73.4	Confident	55 Å²	55	44.2 Å²	44.2	57%	0.567	28%	0.283	S	S	*	.	S	Bend	trans	89.3	96.2	166.1	0	0	0	0	0	113	A649	A649-G651 PolarHBondContact O-N 2.77Å; A649-G651 VanDerWaalsContact O-N 3.11Å
652	S	37.4	Very low	73.3	Confident	78 Å²	78	40.6 Å²	40.6	55%	0.545	27%	0.27	S	S	.	.			trans	55	85.7	-177	-64.2	0	0	0	0	113	G654	S652-G654 WeakPolarHBondContact O-CA 3.2Å; S652-G654 PolarHBondContact O-N 2.79Å
653	A	45.4	Very low	73.2	Confident	73 Å²	73	41.5 Å²	41.5	60%	0.603	27%	0.274	S	S	*	.	S	Bend	trans	-42.2	118.8	149.7	0	0	0	0	0	106.6	I655 M673	A653-I655 PolarHBondContact O-N 2.81Å; A653-I655 VanDerWaalsContact O-N 3.16Å; A653-M673 HydrophobicContact CB-CE 4.5Å
654	G	47.7	Very low	72.9	Confident	11 Å²	11	46.7 Å²	46.7	11%	0.113	29%	0.293	C	S	.	.			trans	-41.3	121.9	-152.2	0	0	0	0	0	111.9	S652 N656 G657	S652-G654 WeakPolarHBondContact O-CA 3.2Å; S652-G654 PolarHBondContact O-N 2.79Å; G654-N656 PolarHBondContact O-N 2.93Å; G654-G657 PolarHBondContact O-N 2.9Å
655	I	48.3	Very low	72.6	Confident	143 Å²	143	51.9 Å²	51.9	73%	0.733	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-15	175.1	-67.3	169.6	0	0	0	110.9	A653	A653-I655 PolarHBondContact O-N 2.81Å; A653-I655 VanDerWaalsContact O-N 3.16Å
656	N	55.2	Low	72.3	Confident	131 Å²	131	54.5 Å²	54.5	70%	0.701	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	14.3	-177.7	-56.9	-30.6	0	0	0	115.8	G654	G654-N656 PolarHBondContact O-N 2.93Å
657	G	68.9	Low	71.9	Confident	41 Å²	41	55.1 Å²	55.1	42%	0.423	35%	0.346	S	S	.	.	S	Bend	trans	74.7	27	177.4	0	0	0	0	0	115.3	G654 M673	G654-G657 PolarHBondContact O-N 2.9Å; G657-M673 PolarHBondContact O-N 2.75Å
658	T	80.4	Confident	72	Confident	35 Å²	35	59.4 Å²	59.4	22%	0.215	36%	0.364	C	S	.	.			trans	-100.3	154	-179.9	53.5	0	0	0	0	112.3
659	G	87.4	Confident	72.6	Confident	5 Å²	5	63 Å²	63	5%	0.052	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-170.5	168.9	0	0	0	0	0	111.1	Y670 I672	G659-Y670 CarbonylContact C-O 3.58Å; G659-Y670 VanDerWaalsContact CA-O 3.28Å; G659-Y670 WeakPolarHBondContact CA-O 2.88Å; G659-Y670 PolarHBondContact N-O 3.11Å; G659-Y670 VanDerWaalsContact N-O 3.08Å; G659-Y670 PolarHBondContact O-N 3.42Å; G659-I672 VanDerWaalsContact CA-O 3.29Å; G659-I672 WeakPolarHBondContact CA-O 3.48Å; G659-I672 PolarHBondContact N-O 3.45Å; G659-I672 VanDerWaalsContact N-O 3.09Å
660	R	89.9	Confident	73.8	Confident	54 Å²	54	60.9 Å²	60.9	20%	0.204	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.4	-177.8	-151.6	176	-170.2	169.5	-1.4	112.5	Y645 G646 V650 M662 G667 H668	Y645-R660 VanDerWaalsContact CA-O 3.31Å; Y645-R660 WeakPolarHBondContact CA-O 3.31Å; Y645-R660 WeakPolarHBondContact CD2-O 3.29Å; G646-R660 PolarHBondContact N-O 2.67Å; G646-R660 PolarHBondContact O-N 3.28Å; V650-R660 PolarHBondContact O-NH1 2.71Å; R660-M662 HydrophobicContact CG-SD 4.37Å; R660-G667 PolarHBondContact NE-O 3.39Å; R660-G667 PolarHBondContact NH2-O 3.25Å; R660-H668 WeakPolarHBondContact CA-O 3.05Å; R660-H668 WeakPolarHBondContact CG-O 3.27Å
661	V	93	Very high	75.7	Confident	6 Å²	6	57 Å²	57	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.8	167.7	-70.4	0	0	0	0	110.3	G644 Y645 G667 H668 Y670 W693 A703 F704	G644-V661 CarbonylContact O-C 3.59Å; G644-V661 VanDerWaalsContact O-CA 3.29Å; G644-V661 WeakPolarHBondContact O-CA 3.22Å; Y645-V661 HydrophobicContact CD2-CG1 3.8Å; Y645-V661 HydrophobicContact CG-CG1 4.38Å; V661-G667 VanDerWaalsContact O-CA 3.24Å; V661-G667 WeakPolarHBondContact O-CA 3.01Å; V661-H668 HydrophobicContact CG2-CB 4.37Å; V661-H668 PolarHBondContact N-O 3.07Å; V661-H668 PolarHBondContact O-N 3.06Å; V661-Y670 HydrophobicContact CG1-CD1 3.42Å; V661-Y670 VanDerWaalsContact CG1-CD1 3.42Å; V661-Y670 HydrophobicContact CG1-CD2 4.3Å; V661-Y670 HydrophobicContact CG1-CE1 3.99Å; V661-Y670 HydrophobicContact CG1-CG 3.58Å; V661-Y670 HydrophobicContact CG2-CG 4.23Å; V661-W693 HydrophobicContact CB-CZ3 4.33Å; V661-W693 HydrophobicContact CG1-CE3 3.76Å; V661-W693 HydrophobicContact CG1-CH2 4.33Å; V661-W693 HydrophobicContact CG1-CZ3 3.55Å; V661-A703 HydrophobicContact CG1-CB 4.07Å; V661-F704 HydrophobicContact CB-CE2 3.77Å; V661-F704 HydrophobicContact CB-CZ 3.98Å; V661-F704 HydrophobicContact CG1-CE2 4.48Å; V661-F704 HydrophobicContact CG2-CE2 4.1Å; V661-F704 HydrophobicContact CG2-CZ 3.88Å
662	M	93.7	Very high	78	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.059	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.9	-174.5	-63.9	-65.6	-71.9	0	0	110.9	G637 G644 R660 G667	G637-M662 WeakPolarHBondContact CA-O 3.5Å; G644-M662 PolarHBondContact N-O 3.31Å; G644-M662 VanDerWaalsContact N-O 3.07Å; G644-M662 PolarHBondContact O-N 3.04Å; R660-M662 HydrophobicContact CG-SD 4.37Å; M662-G667 WeakPolarHBondContact SD-CA 3.43Å
663	H	93.9	Very high	80.4	Confident	19 Å²	19	55.7 Å²	55.7	9%	0.088	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	134.3	170.5	-178.8	58.6	0	0	0	108.7	G637 D639 N640 G642 F643 N665 S666 F704	G637-H663 CarbonylContact O-C 3.53Å; G637-H663 VanDerWaalsContact O-C 3.24Å; G637-H663 WeakPolarHBondContact O-CA 3.45Å; D639-H663 PolarHBondContact O-ND1 2.61Å; N640-H663 PolarHBondContact O-CE1 3.21Å; G642-H663 PolarHBondContact O-ND1 3.02Å; F643-H663 HydrophobicContact CD1-CB 4.11Å; F643-H663 AromaticContact CD1-CE1 3.96Å; F643-H663 AromaticContact CD1-CG 3.76Å; F643-H663 AromaticContact CD1-ND1 3.48Å; F643-H663 WeakPolarHBondContact CD1-ND1 3.29Å; F643-H663 HydrophobicContact CE1-CB 4.42Å; F643-H663 AromaticContact CE1-CD2 3.83Å; F643-H663 AromaticContact CE1-CE1 3.28Å; F643-H663 WeakPolarHBondContact CE1-CE1 3.41Å; F643-H663 AromaticContact CE1-CG 3.63Å; F643-H663 AromaticContact CE1-ND1 3.28Å; F643-H663 VanDerWaalsContact CE1-ND1 3.28Å; F643-H663 WeakPolarHBondContact CE1-ND1 3.24Å; F643-H663 AromaticContact CE1-NE2 3.65Å; F643-H663 AromaticContact CZ-CE1 3.39Å; F643-H663 WeakPolarHBondContact CZ-CE1 3.29Å; F643-H663 AromaticContact CZ-ND1 3.76Å; F643-H663 AromaticContact CZ-NE2 3.97Å; H663-N665 VanDerWaalsContact C-N 3.3Å; H663-N665 PolarHBondContact O-N 3.05Å; H663-S666 PolarHBondContact N-O 3.22Å; H663-S666 VanDerWaalsContact N-O 3.09Å; H663-S666 WeakPolarHBondContact O-CA 3.3Å; H663-S666 WeakPolarHBondContact O-CB 3.35Å; H663-S666 PolarHBondContact O-N 3.28Å; H663-F704 HydrophobicContact CB-CE1 3.91Å; H663-F704 HydrophobicContact CB-CE2 4.17Å; H663-F704 HydrophobicContact CB-CZ 3.67Å
664	R	92.4	Very high	82.5	Confident	111 Å²	111	52.6 Å²	52.6	42%	0.419	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37	-179	-48.1	-179.7	-179.5	-163.7	-8.6	114.5	G637 D639 N640 S666	G637-R664 PolarHBondContact O-N 3.06Å; D639-R664 VanDerWaalsContact O-CA 3.29Å; D639-R664 WeakPolarHBondContact O-CA 3.43Å; D639-R664 WeakPolarHBondContact O-CG 3.49Å; D639-R664 PolarHBondContact O-N 2.88Å; N640-R664 HydrophobicContact CB-CG 4.48Å; N640-R664 WeakPolarHBondContact OD1-CD 3.49Å; N640-R664 WeakPolarHBondContact OD1-CG 3.48Å; N640-R664 PolarHBondContact OD1-NE 3.01Å; N640-R664 VanDerWaalsContact OD1-NE 3.14Å; R664-S666 PolarHBondContact O-N 3.29Å
665	N	89.7	Confident	84.5	Confident	109 Å²	109	56.2 Å²	56.2	58%	0.583	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	15.2	-171.4	-81.6	-30.4	0	0	0	114.1	G637 A638 H663	G637-N665 PolarHBondContact O-N 3.25Å; A638-N665 VanDerWaalsContact CA-OD1 3.27Å; A638-N665 WeakPolarHBondContact CA-OD1 3.42Å; A638-N665 PolarHBondContact O-N 2.94Å; A638-N665 PolarHBondContact O-ND2 2.83Å; H663-N665 VanDerWaalsContact C-N 3.3Å; H663-N665 PolarHBondContact O-N 3.05Å
666	S	88.5	Confident	86.5	Confident	54 Å²	54	54.9 Å²	54.9	38%	0.378	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.8	173.5	-174.1	0	0	0	0	109.4	H663 R664 H668	H663-S666 PolarHBondContact N-O 3.22Å; H663-S666 VanDerWaalsContact N-O 3.09Å; H663-S666 WeakPolarHBondContact O-CA 3.3Å; H663-S666 WeakPolarHBondContact O-CB 3.35Å; H663-S666 PolarHBondContact O-N 3.28Å; R664-S666 PolarHBondContact O-N 3.29Å; S666-H668 PolarHBondContact OG-NE2 2.99Å
667	G	83.8	Confident	88.3	Confident	15 Å²	15	51.3 Å²	51.3	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132	-177.5	0	0	0	0	0	113.4	R660 V661 M662	R660-G667 PolarHBondContact NE-O 3.39Å; R660-G667 PolarHBondContact NH2-O 3.25Å; V661-G667 VanDerWaalsContact O-CA 3.24Å; V661-G667 WeakPolarHBondContact O-CA 3.01Å; M662-G667 WeakPolarHBondContact SD-CA 3.43Å
668	H	87	Confident	89.5	Confident	107 Å²	107	50.5 Å²	50.5	50%	0.495	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146	176.9	-53.2	-68.6	0	0	0	111.8	R660 V661 S666 Y670	R660-H668 WeakPolarHBondContact CA-O 3.05Å; R660-H668 WeakPolarHBondContact CG-O 3.27Å; V661-H668 HydrophobicContact CG2-CB 4.37Å; V661-H668 PolarHBondContact N-O 3.07Å; V661-H668 PolarHBondContact O-N 3.06Å; S666-H668 PolarHBondContact OG-NE2 2.99Å; H668-Y670 PolarHBondContact O-N 2.96Å
669	D	87.7	Confident	90.3	Very high	95 Å²	95	49.2 Å²	49.2	51%	0.508	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.9	175.5	-70.8	-15.2	0	0	0	110.7
670	Y	89.6	Confident	90.7	Very high	21 Å²	21	49 Å²	49	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.4	-174.2	-177.8	-93.5	0	0	0	111.1	Y645 G659 V661 H668 I672 W693 F700 R701 A703	Y645-Y670 AromaticContact CD2-CD1 3.77Å; Y645-Y670 HydrophobicContact CD2-CD1 3.77Å; Y645-Y670 HydrophobicContact CD2-CE1 4.41Å; Y645-Y670 AromaticContact CE2-CD1 3.76Å; Y645-Y670 HydrophobicContact CE2-CD1 3.76Å; Y645-Y670 HydrophobicContact CE2-CE1 4.48Å; Y645-Y670 WeakPolarHBondContact CE2-O 2.87Å; G659-Y670 CarbonylContact C-O 3.58Å; G659-Y670 VanDerWaalsContact CA-O 3.28Å; G659-Y670 WeakPolarHBondContact CA-O 2.88Å; G659-Y670 PolarHBondContact N-O 3.11Å; G659-Y670 VanDerWaalsContact N-O 3.08Å; G659-Y670 PolarHBondContact O-N 3.42Å; V661-Y670 HydrophobicContact CG1-CD1 3.42Å; V661-Y670 VanDerWaalsContact CG1-CD1 3.42Å; V661-Y670 HydrophobicContact CG1-CD2 4.3Å; V661-Y670 HydrophobicContact CG1-CE1 3.99Å; V661-Y670 HydrophobicContact CG1-CG 3.58Å; V661-Y670 HydrophobicContact CG2-CG 4.23Å; H668-Y670 PolarHBondContact O-N 2.96Å; Y670-I672 PolarHBondContact O-N 3.24Å; Y670-W693 HydrophobicContact CE1-CB 4.32Å; Y670-W693 HydrophobicContact CE1-CE3 4.09Å; Y670-F700 HydrophobicContact CD1-CB 4.48Å; Y670-F700 HydrophobicContact CD1-CD2 4.05Å; Y670-F700 HydrophobicContact CE1-CB 3.58Å; Y670-F700 AromaticContact CE1-CD2 3.49Å; Y670-F700 HydrophobicContact CE1-CD2 3.49Å; Y670-F700 VanDerWaalsContact CE1-CD2 3.49Å; Y670-F700 AromaticContact CE1-CG 3.9Å; Y670-F700 HydrophobicContact CE1-CG 3.9Å; Y670-F700 HydrophobicContact CE2-CB 4.16Å; Y670-F700 VanDerWaalsContact OH-CB 3.24Å; Y670-F700 WeakPolarHBondContact OH-CB 3.45Å; Y670-R701 WeakPolarHBondContact CE2-O 3.24Å; Y670-R701 VanDerWaalsContact CZ-O 3.22Å; Y670-R701 PolarHBondContact OH-O 2.86Å; Y670-A703 HydrophobicContact CD2-CB 4.15Å; Y670-A703 HydrophobicContact CE1-CB 4.29Å; Y670-A703 HydrophobicContact CE2-CB 3.56Å
671	G	89	Confident	91.1	Very high	22 Å²	22	46.4 Å²	46.4	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	62.5	-134.4	175.2	0	0	0	0	0	113.5
672	I	89.2	Confident	91.3	Very high	48 Å²	48	46.1 Å²	46.1	25%	0.246	25%	0.251	C	S	.	.			trans	-129.1	155.9	-178.1	68.9	-172.1	0	0	0	109.8	Y645 G659 Y670 V674 C695 F700	Y645-I672 PolarHBondContact OH-N 2.74Å; Y645-I672 PolarHBondContact OH-O 2.99Å; G659-I672 VanDerWaalsContact CA-O 3.29Å; G659-I672 WeakPolarHBondContact CA-O 3.48Å; G659-I672 PolarHBondContact N-O 3.45Å; G659-I672 VanDerWaalsContact N-O 3.09Å; Y670-I672 PolarHBondContact O-N 3.24Å; I672-V674 PolarHBondContact O-N 3.27Å; I672-C695 HydrophobicContact CD1-CB 3.65Å; I672-C695 HydrophobicContact CG1-CB 3.79Å; I672-F700 HydrophobicContact CB-CZ 4.42Å; I672-F700 HydrophobicContact CD1-CZ 4.3Å; I672-F700 HydrophobicContact CG1-CZ 3.91Å; I672-F700 HydrophobicContact CG2-CE1 4.1Å; I672-F700 HydrophobicContact CG2-CZ 4.22Å
673	M	87.8	Confident	91.5	Very high	58 Å²	58	47 Å²	47	29%	0.286	26%	0.256	S	S	.	.			trans	-61.1	136.6	174.3	-166.6	165.7	-64	0	0	110.1	A653 G657	A653-M673 HydrophobicContact CB-CE 4.5Å; G657-M673 PolarHBondContact O-N 2.75Å
674	V	90.2	Very high	91.6	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	25%	0.252	C	S	.	.			trans	-96.3	130.2	179.3	-174.6	0	0	0	0	109.2	C617 I623 Y645 I672 D678 I680	C617-V674 HydrophobicContact CB-CG1 4.31Å; I623-V674 HydrophobicContact CD1-CG1 3.97Å; Y645-V674 HydrophobicContact CE1-CG2 3.95Å; I672-V674 PolarHBondContact O-N 3.27Å; V674-D678 WeakPolarHBondContact CA-OD2 3.49Å; V674-D678 HydrophobicContact CG1-CB 3.86Å; V674-I680 HydrophobicContact CG1-CD1 4.06Å; V674-I680 HydrophobicContact CG1-CG1 4.18Å; V674-I680 HydrophobicContact CG2-CD1 4.01Å; V674-I680 HydrophobicContact CG2-CG1 4.21Å
675	H	89.5	Confident	91.7	Very high	86 Å²	86	41.4 Å²	41.4	40%	0.398	24%	0.235	S	C	.	.			trans	-119.3	170.8	179.1	-66	-71.5	0	0	0	111.4	C617 E620 G677 D678	C617-H675 WeakPolarHBondContact CB-O 3.46Å; E620-H675 IonicContact OE1-ND1 2.61Å; H675-G677 PolarHBondContact O-N 2.92Å; H675-D678 PolarHBondContact N-OD2 3.07Å; H675-D678 WeakPolarHBondContact O-CB 3.35Å; H675-D678 PolarHBondContact O-N 3.19Å
676	Q	90.4	Very high	92	Very high	116 Å²	116	37.5 Å²	37.5	54%	0.542	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	132.1	169.4	179.8	179.3	24	0	0	110.7	L618 E620	L618-Q676 WeakPolarHBondContact O-CG 3.45Å; L618-Q676 PolarHBondContact O-NE2 2.93Å; E620-Q676 HydrophobicContact CG-CB 4.05Å
677	G	91.5	Very high	92.2	Very high	56 Å²	56	40 Å²	40	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.3	-12.7	-177.5	0	0	0	0	0	114.5	C617 H675	C617-G677 WeakPolarHBondContact O-CA 3.42Å; C617-G677 PolarHBondContact O-N 3.03Å; H675-G677 PolarHBondContact O-N 2.92Å
678	D	95	Very high	92.5	Very high	24 Å²	24	46 Å²	46	13%	0.128	24%	0.244	C	C	.	.			trans	-75	145.6	179.1	-74.1	-21.5	0	0	0	112.4	A616 C617 V674 H675 N696	A616-D678 WeakPolarHBondContact CA-O 3.41Å; C617-D678 PolarHBondContact N-O 3.23Å; V674-D678 WeakPolarHBondContact CA-OD2 3.49Å; V674-D678 HydrophobicContact CG1-CB 3.86Å; H675-D678 PolarHBondContact N-OD2 3.07Å; H675-D678 WeakPolarHBondContact O-CB 3.35Å; H675-D678 PolarHBondContact O-N 3.19Å; D678-N696 WeakPolarHBondContact CA-OD1 3.18Å; D678-N696 PolarHBondContact OD1-ND2 3Å
679	V	96.7	Very high	92.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.6	176	-176.2	0	0	0	0	110.1	E614 A616 C695 N696 E737 F738	E614-V679 HydrophobicContact CB-CG1 3.95Å; E614-V679 HydrophobicContact CG-CG1 4.05Å; A616-V679 HydrophobicContact CB-CG2 4.09Å; V679-C695 CarbonylContact O-C 3.6Å; V679-C695 WeakPolarHBondContact O-CA 3.46Å; V679-N696 PolarHBondContact N-OD1 3.15Å; V679-N696 PolarHBondContact O-N 3.46Å; V679-E737 WeakPolarHBondContact CG2-OE2 3.38Å; V679-F738 HydrophobicContact CB-CD2 3.7Å; V679-F738 HydrophobicContact CB-CE2 3.79Å; V679-F738 HydrophobicContact CG1-CD2 3.92Å; V679-F738 HydrophobicContact CG1-CE2 4.44Å; V679-F738 HydrophobicContact CG2-CD2 4.18Å; V679-F738 HydrophobicContact CG2-CE2 3.84Å
680	I	97.1	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.1	175.5	-57.2	175.3	0	0	0	109.1	E614 A615 I623 V625 Y645 V674 S694	E614-I680 CarbonylContact C-O 3.4Å; E614-I680 VanDerWaalsContact CA-O 3.3Å; E614-I680 WeakPolarHBondContact CA-O 3.42Å; A615-I680 PolarHBondContact N-O 3.38Å; A615-I680 PolarHBondContact O-N 2.69Å; I623-I680 HydrophobicContact CD1-CD1 3.66Å; I623-I680 HydrophobicContact CG1-CD1 4.4Å; V625-I680 HydrophobicContact CB-CD1 4.46Å; V625-I680 HydrophobicContact CG2-CD1 4.11Å; Y645-I680 HydrophobicContact CD1-CD1 4.32Å; Y645-I680 HydrophobicContact CD1-CG2 3.75Å; Y645-I680 HydrophobicContact CE1-CD1 4.42Å; Y645-I680 HydrophobicContact CE1-CG1 4.4Å; Y645-I680 HydrophobicContact CE1-CG2 4.11Å; V674-I680 HydrophobicContact CG1-CD1 4.06Å; V674-I680 HydrophobicContact CG1-CG1 4.18Å; V674-I680 HydrophobicContact CG2-CD1 4.01Å; V674-I680 HydrophobicContact CG2-CG1 4.21Å; I680-S694 WeakPolarHBondContact CA-O 3.41Å
681	G	97.4	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.4	167.6	0	0	0	0	0	112.1	Y612 W693 S694	Y612-G681 WeakPolarHBondContact OH-CA 3.2Å; G681-W693 CarbonylContact O-C 3.11Å; G681-W693 WeakPolarHBondContact O-CA 3.43Å; G681-W693 WeakPolarHBondContact O-CB 3.09Å; G681-S694 VanDerWaalsContact CA-OG 3.26Å; G681-S694 WeakPolarHBondContact CA-OG 3.48Å; G681-S694 PolarHBondContact N-O 3.04Å; G681-S694 PolarHBondContact N-OG 3.3Å; G681-S694 PolarHBondContact O-N 2.78Å
682	C	97.6	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.8	-177.1	-64.4	0	0	0	0	110.3	Y612 Y613 W693	Y612-C682 WeakPolarHBondContact CA-O 3.25Å; Y613-C682 HydrophobicContact CD1-CB 3.84Å; Y613-C682 HydrophobicContact CE1-CB 3.39Å; Y613-C682 HydrophobicContact CE2-CB 4.17Å; Y613-C682 HydrophobicContact CG-CB 4.4Å; Y613-C682 PolarHBondContact N-O 2.93Å; Y613-C682 PolarHBondContact O-N 3.03Å; C682-W693 VanDerWaalsContact SG-CD1 3.51Å
683	L	97.1	Very high	94.1	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.168	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.8	-178.4	-177.6	64.5	0	0	0	111.3	Y612 S692 F744	Y612-L683 HydrophobicContact CD2-CB 4.04Å; Y612-L683 HydrophobicContact CD2-CD1 4.28Å; L683-S692 WeakPolarHBondContact CA-O 3.37Å; L683-S692 PolarHBondContact N-O 3.42Å; L683-S692 PolarHBondContact O-N 2.86Å; L683-F744 HydrophobicContact CD1-CB 4.4Å
684	L	96.9	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.5	173.8	174.8	69.2	0	0	0	109.5	V605 A610 Y611 W627 L686 I691 I706 F715	V605-L684 HydrophobicContact CG2-CD2 4.01Å; A610-L684 CarbonylContact C-O 3.55Å; A610-L684 WeakPolarHBondContact CA-O 3.24Å; Y611-L684 PolarHBondContact N-O 3.41Å; Y611-L684 PolarHBondContact O-N 2.94Å; W627-L684 HydrophobicContact CD2-CB 3.8Å; W627-L684 HydrophobicContact CD2-CD2 3.75Å; W627-L684 HydrophobicContact CD2-CG 4.32Å; W627-L684 HydrophobicContact CE3-CB 4.4Å; W627-L684 HydrophobicContact CE3-CD2 3.65Å; W627-L684 HydrophobicContact CG-CB 4.19Å; W627-L684 HydrophobicContact CG-CD2 4.27Å; W627-L684 HydrophobicContact CH2-CB 4.12Å; W627-L684 HydrophobicContact CH2-CD2 4.2Å; W627-L684 HydrophobicContact CZ2-CB 3.53Å; W627-L684 HydrophobicContact CZ2-CD2 4.36Å; W627-L684 HydrophobicContact CZ3-CD2 3.88Å; L684-L686 HydrophobicContact CD1-CD2 3.77Å; L684-L686 HydrophobicContact CD1-CG 4.45Å; L684-L686 HydrophobicContact CD2-CD1 4.32Å; L684-L686 HydrophobicContact CD2-CD2 3.88Å; L684-L686 HydrophobicContact CD2-CG 4.07Å; L684-L686 HydrophobicContact CG-CD2 3.77Å; L684-L686 HydrophobicContact CG-CG 3.94Å; L684-I691 HydrophobicContact CD1-CD1 4.23Å; L684-I691 HydrophobicContact CD1-CG1 3.73Å; L684-I706 HydrophobicContact CD1-CD1 3.75Å; L684-F715 HydrophobicContact CD2-CB 3.52Å; L684-F715 HydrophobicContact CD2-CD2 4.19Å; L684-F715 HydrophobicContact CD2-CG 3.95Å
685	D	95.1	Very high	94.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.064	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	97.1	176	-172.4	-27.2	0	0	0	109	A610 D687 K688 G689 S690	A610-D685 HydrophobicContact CB-CB 4.1Å; D685-D687 VanDerWaalsContact C-N 3.31Å; D685-D687 PolarHBondContact OD1-N 3.14Å; D685-K688 HydrophobicContact CB-CB 4.35Å; D685-K688 PolarHBondContact OD1-N 2.82Å; D685-K688 VanDerWaalsContact OD2-CD 3.27Å; D685-K688 WeakPolarHBondContact OD2-CD 3.47Å; D685-K688 WeakPolarHBondContact OD2-CE 3.31Å; D685-K688 VanDerWaalsContact OD2-CG 3.27Å; D685-K688 WeakPolarHBondContact OD2-CG 3.49Å; D685-K688 IonicContact OD2-NZ 3.5Å; D685-K688 PolarHBondContact OD2-NZ 3.05Å; D685-G689 CarbonylContact O-C 3.49Å; D685-G689 VanDerWaalsContact O-CA 3.3Å; D685-G689 WeakPolarHBondContact O-CA 3.5Å; D685-G689 PolarHBondContact O-N 2.94Å; D685-S690 PolarHBondContact N-O 2.99Å; D685-S690 PolarHBondContact O-N 2.79Å
686	L	94.8	Very high	95	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.141	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.7	-178.7	-64.8	179.1	0	0	0	112.4	A607 G609 Y611 L684 I706 F715	A607-L686 HydrophobicContact CB-CB 3.98Å; A607-L686 HydrophobicContact CB-CD1 4.32Å; G609-L686 WeakPolarHBondContact O-CB 3.31Å; G609-L686 PolarHBondContact O-N 3.08Å; Y611-L686 HydrophobicContact CD2-CD1 4.13Å; Y611-L686 HydrophobicContact CE2-CD1 3.94Å; L684-L686 HydrophobicContact CD1-CD2 3.77Å; L684-L686 HydrophobicContact CD1-CG 4.45Å; L684-L686 HydrophobicContact CD2-CD1 4.32Å; L684-L686 HydrophobicContact CD2-CD2 3.88Å; L684-L686 HydrophobicContact CD2-CG 4.07Å; L684-L686 HydrophobicContact CG-CD2 3.77Å; L684-L686 HydrophobicContact CG-CG 3.94Å; L686-I706 HydrophobicContact CD2-CD1 3.61Å; L686-F715 HydrophobicContact CD2-CD2 4.04Å; L686-F715 HydrophobicContact CD2-CE2 4.28Å
687	D	92.3	Very high	95	Very high	105 Å²	105	25.5 Å²	25.5	56%	0.561	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.5	176.6	-62.3	-29.2	0	0	0	110.9	P608 G609 D685	P608-D687 VanDerWaalsContact CA-OD1 3.3Å; P608-D687 WeakPolarHBondContact CA-OD1 3.38Å; P608-D687 VanDerWaalsContact CB-OD1 3.27Å; P608-D687 WeakPolarHBondContact CB-OD1 2.99Å; G609-D687 WeakPolarHBondContact CA-OD2 3.46Å; G609-D687 VanDerWaalsContact N-CG 3.33Å; G609-D687 PolarHBondContact N-OD1 3.18Å; G609-D687 PolarHBondContact N-OD2 2.7Å; D685-D687 VanDerWaalsContact C-N 3.31Å; D685-D687 PolarHBondContact OD1-N 3.14Å
688	K	91.6	Very high	95	Very high	141 Å²	141	29 Å²	29	61%	0.613	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-14	173.9	-60.8	-168.9	-166	97.8	0	113.3	D685	D685-K688 HydrophobicContact CB-CB 4.35Å; D685-K688 PolarHBondContact OD1-N 2.82Å; D685-K688 VanDerWaalsContact OD2-CD 3.27Å; D685-K688 WeakPolarHBondContact OD2-CD 3.47Å; D685-K688 WeakPolarHBondContact OD2-CE 3.31Å; D685-K688 VanDerWaalsContact OD2-CG 3.27Å; D685-K688 WeakPolarHBondContact OD2-CG 3.49Å; D685-K688 IonicContact OD2-NZ 3.5Å; D685-K688 PolarHBondContact OD2-NZ 3.05Å
689	G	93.4	Very high	94.7	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	43.5	-174.8	0	0	0	0	0	112.5	D685 T705 I706	D685-G689 CarbonylContact O-C 3.49Å; D685-G689 VanDerWaalsContact O-CA 3.3Å; D685-G689 WeakPolarHBondContact O-CA 3.5Å; D685-G689 PolarHBondContact O-N 2.94Å; G689-T705 CarbonylContact O-C 3.41Å; G689-T705 WeakPolarHBondContact O-CA 3.48Å; G689-T705 WeakPolarHBondContact O-CG2 3.19Å; G689-I706 PolarHBondContact O-N 2.95Å
690	S	94.4	Very high	94.4	Very high	11 Å²	11	32 Å²	32	8%	0.077	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146	-175.7	56.5	0	0	0	0	113.7	D685 F704	D685-S690 PolarHBondContact N-O 2.99Å; D685-S690 PolarHBondContact O-N 2.79Å; S690-F704 WeakPolarHBondContact CA-O 3.18Å
691	I	95.9	Very high	93.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.6	174.9	-52.2	176.9	0	0	0	108.7	F643 L684 W693 A703 F704 I706	F643-I691 HydrophobicContact CB-CD1 3.99Å; F643-I691 HydrophobicContact CD1-CD1 3.83Å; F643-I691 HydrophobicContact CD2-CD1 3.43Å; F643-I691 VanDerWaalsContact CD2-CD1 3.43Å; F643-I691 HydrophobicContact CE1-CD1 4.13Å; F643-I691 HydrophobicContact CE2-CD1 3.79Å; F643-I691 HydrophobicContact CG-CD1 3.47Å; F643-I691 VanDerWaalsContact CG-CD1 3.47Å; F643-I691 HydrophobicContact CZ-CD1 4.12Å; L684-I691 HydrophobicContact CD1-CD1 4.23Å; L684-I691 HydrophobicContact CD1-CG1 3.73Å; I691-W693 HydrophobicContact CG2-CH2 3.61Å; I691-W693 HydrophobicContact CG2-CZ2 3.8Å; I691-W693 HydrophobicContact CG2-CZ3 4Å; I691-A703 PolarHBondContact O-N 3.25Å; I691-A703 VanDerWaalsContact O-N 3.09Å; I691-F704 HydrophobicContact CB-CB 4.43Å; I691-F704 PolarHBondContact N-O 3.08Å; I691-F704 PolarHBondContact O-N 2.76Å; I691-I706 HydrophobicContact CD1-CG1 4.14Å; I691-I706 HydrophobicContact CG1-CD1 4.45Å; I691-I706 HydrophobicContact CG1-CG1 3.96Å
692	S	95.7	Very high	93.4	Very high	12 Å²	12	50 Å²	50	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.7	178.5	46.3	0	0	0	0	111.1	L683	L683-S692 WeakPolarHBondContact CA-O 3.37Å; L683-S692 PolarHBondContact N-O 3.42Å; L683-S692 PolarHBondContact O-N 2.86Å
693	W	96.6	Very high	92.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.4	178.8	-66	-94.7	0	0	0	111.2	V625 F643 Y645 V661 Y670 G681 C682 I691 F700 A703 F704	V625-W693 PolarHBondContact O-NE1 2.66Å; F643-W693 HydrophobicContact CB-CH2 4.07Å; F643-W693 HydrophobicContact CB-CZ2 4.29Å; Y645-W693 VanDerWaalsContact CB-CD2 3.45Å; Y645-W693 HydrophobicContact CD1-CB 3.83Å; Y645-W693 AromaticContact CD1-CD1 3.99Å; Y645-W693 AromaticContact CD1-CG 3.9Å; Y645-W693 HydrophobicContact CD1-CG 3.9Å; Y645-W693 HydrophobicContact CE1-CB 4.36Å; Y645-W693 HydrophobicContact CG-CB 4.06Å; Y645-W693 HydrophobicContact CG-CD2 4.14Å; Y645-W693 AromaticContact CG-CG 3.87Å; Y645-W693 HydrophobicContact CG-CG 3.87Å; V661-W693 HydrophobicContact CB-CZ3 4.33Å; V661-W693 HydrophobicContact CG1-CE3 3.76Å; V661-W693 HydrophobicContact CG1-CH2 4.33Å; V661-W693 HydrophobicContact CG1-CZ3 3.55Å; Y670-W693 HydrophobicContact CE1-CB 4.32Å; Y670-W693 HydrophobicContact CE1-CE3 4.09Å; G681-W693 CarbonylContact O-C 3.11Å; G681-W693 WeakPolarHBondContact O-CA 3.43Å; G681-W693 WeakPolarHBondContact O-CB 3.09Å; C682-W693 VanDerWaalsContact SG-CD1 3.51Å; I691-W693 HydrophobicContact CG2-CH2 3.61Å; I691-W693 HydrophobicContact CG2-CZ2 3.8Å; I691-W693 HydrophobicContact CG2-CZ3 4Å; W693-F700 HydrophobicContact CB-CD2 4.42Å; W693-F700 WeakPolarHBondContact O-CB 3.35Å; W693-F700 WeakPolarHBondContact O-CD2 3.48Å; W693-F700 PolarHBondContact O-N 3.4Å; W693-A703 HydrophobicContact CE3-CB 3.77Å; W693-A703 HydrophobicContact CZ3-CB 3.4Å; W693-F704 AromaticContact CH2-CD2 3.88Å; W693-F704 HydrophobicContact CH2-CD2 3.88Å; W693-F704 HydrophobicContact CH2-CE2 4Å; W693-F704 AromaticContact CZ3-CD2 3.91Å; W693-F704 HydrophobicContact CZ3-CD2 3.91Å; W693-F704 HydrophobicContact CZ3-CE2 4.08Å
694	S	95.5	Very high	92.7	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	160	167	60.1	0	0	0	0	109.7	Y612 I680 G681 K698	Y612-S694 PolarHBondContact OH-OG 2.65Å; I680-S694 WeakPolarHBondContact CA-O 3.41Å; G681-S694 VanDerWaalsContact CA-OG 3.26Å; G681-S694 WeakPolarHBondContact CA-OG 3.48Å; G681-S694 PolarHBondContact N-O 3.04Å; G681-S694 PolarHBondContact N-OG 3.3Å; G681-S694 PolarHBondContact O-N 2.78Å; S694-K698 VanDerWaalsContact CA-O 3.27Å; S694-K698 WeakPolarHBondContact CA-O 3.25Å; S694-K698 WeakPolarHBondContact CB-O 3.3Å
695	C	94.8	Very high	92.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.4	167.3	-170	0	0	0	0	108.4	I672 V679 G697 K698 F700	I672-C695 HydrophobicContact CD1-CB 3.65Å; I672-C695 HydrophobicContact CG1-CB 3.79Å; V679-C695 CarbonylContact O-C 3.6Å; V679-C695 WeakPolarHBondContact O-CA 3.46Å; C695-G697 VanDerWaalsContact C-N 3.28Å; C695-G697 PolarHBondContact O-N 2.66Å; C695-K698 PolarHBondContact N-O 3.45Å; C695-K698 WeakPolarHBondContact O-CB 3.31Å; C695-K698 PolarHBondContact O-N 2.89Å; C695-F700 HydrophobicContact CB-CE2 4.04Å; C695-F700 HydrophobicContact CB-CZ 3.76Å
696	N	94.8	Very high	92.5	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	48.3	-175.8	-56.5	-27.2	0	0	0	112.2	D678 V679 K698 F738	D678-N696 WeakPolarHBondContact CA-OD1 3.18Å; D678-N696 PolarHBondContact OD1-ND2 3Å; V679-N696 PolarHBondContact N-OD1 3.15Å; V679-N696 PolarHBondContact O-N 3.46Å; N696-K698 PolarHBondContact O-N 3.02Å; N696-K698 VanDerWaalsContact O-N 3.15Å; N696-F738 HydrophobicContact CB-CE2 4.48Å; N696-F738 HydrophobicContact CB-CZ 4.3Å
697	G	90.8	Very high	92.3	Very high	36 Å²	36	54.9 Å²	54.9	37%	0.371	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-11.6	-179	0	0	0	0	0	116.3	C695 I699	C695-G697 VanDerWaalsContact C-N 3.28Å; C695-G697 PolarHBondContact O-N 2.66Å; G697-I699 PolarHBondContact O-N 3.05Å; G697-I699 VanDerWaalsContact O-N 3.08Å
698	K	92.5	Very high	92.2	Very high	129 Å²	129	55.9 Å²	55.9	56%	0.561	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	96.9	176.7	-172.4	179	178.1	-177.8	0	110.7	S694 C695 N696 F700	S694-K698 VanDerWaalsContact CA-O 3.27Å; S694-K698 WeakPolarHBondContact CA-O 3.25Å; S694-K698 WeakPolarHBondContact CB-O 3.3Å; C695-K698 PolarHBondContact N-O 3.45Å; C695-K698 WeakPolarHBondContact O-CB 3.31Å; C695-K698 PolarHBondContact O-N 2.89Å; N696-K698 PolarHBondContact O-N 3.02Å; N696-K698 VanDerWaalsContact O-N 3.15Å; K698-F700 HydrophobicContact CB-CE1 4.39Å; K698-F700 HydrophobicContact CD-CE1 4.13Å; K698-F700 HydrophobicContact CG-CE1 4.03Å; K698-F700 WeakPolarHBondContact O-CE1 3.33Å
699	I	87.8	Confident	92.2	Very high	73 Å²	73	54.5 Å²	54.5	37%	0.374	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.4	175.6	-59.3	171.8	0	0	0	110.5	G697 P740	G697-I699 PolarHBondContact O-N 3.05Å; G697-I699 VanDerWaalsContact O-N 3.08Å; I699-P740 HydrophobicContact CD1-CB 3.44Å; I699-P740 VanDerWaalsContact CD1-CB 3.44Å; I699-P740 HydrophobicContact CG1-CB 4.26Å
700	F	89.8	Confident	92.1	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.088	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-94.3	154.4	174.3	-51.4	-45.9	0	0	0	111.3	Y645 Y670 I672 W693 C695 K698	Y645-F700 HydrophobicContact CE1-CE2 4.17Å; Y645-F700 HydrophobicContact CE2-CE2 4.44Å; Y645-F700 AromaticContact CZ-CE2 3.74Å; Y645-F700 VanDerWaalsContact OH-CE2 3.29Å; Y645-F700 WeakPolarHBondContact OH-CE2 3.49Å; Y670-F700 HydrophobicContact CD1-CB 4.48Å; Y670-F700 HydrophobicContact CD1-CD2 4.05Å; Y670-F700 HydrophobicContact CE1-CB 3.58Å; Y670-F700 AromaticContact CE1-CD2 3.49Å; Y670-F700 HydrophobicContact CE1-CD2 3.49Å; Y670-F700 VanDerWaalsContact CE1-CD2 3.49Å; Y670-F700 AromaticContact CE1-CG 3.9Å; Y670-F700 HydrophobicContact CE1-CG 3.9Å; Y670-F700 HydrophobicContact CE2-CB 4.16Å; Y670-F700 VanDerWaalsContact OH-CB 3.24Å; Y670-F700 WeakPolarHBondContact OH-CB 3.45Å; I672-F700 HydrophobicContact CB-CZ 4.42Å; I672-F700 HydrophobicContact CD1-CZ 4.3Å; I672-F700 HydrophobicContact CG1-CZ 3.91Å; I672-F700 HydrophobicContact CG2-CE1 4.1Å; I672-F700 HydrophobicContact CG2-CZ 4.22Å; W693-F700 HydrophobicContact CB-CD2 4.42Å; W693-F700 WeakPolarHBondContact O-CB 3.35Å; W693-F700 WeakPolarHBondContact O-CD2 3.48Å; W693-F700 PolarHBondContact O-N 3.4Å; C695-F700 HydrophobicContact CB-CE2 4.04Å; C695-F700 HydrophobicContact CB-CZ 3.76Å; K698-F700 HydrophobicContact CB-CE1 4.39Å; K698-F700 HydrophobicContact CD-CE1 4.13Å; K698-F700 HydrophobicContact CG-CE1 4.03Å; K698-F700 WeakPolarHBondContact O-CE1 3.33Å
701	R	86.1	Confident	91.8	Very high	224 Å²	224	61.4 Å²	61.4	85%	0.845	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-58	145.4	172.2	49.5	-178.5	166.4	-150.8	-2.7	110.6	Y670 A703	Y670-R701 WeakPolarHBondContact CE2-O 3.24Å; Y670-R701 VanDerWaalsContact CZ-O 3.22Å; Y670-R701 PolarHBondContact OH-O 2.86Å; R701-A703 PolarHBondContact O-N 3.02Å
702	R	87.6	Confident	91.3	Very high	155 Å²	155	64.6 Å²	64.6	59%	0.585	33%	0.326	S	S	*	.			trans	-34.1	123.5	177.4	-174.7	-172	-31.7	-176.9	8	113.6	F704	R702-F704 WeakPolarHBondContact CG-O 2.93Å
703	A	86.9	Confident	91.2	Very high	28 Å²	28	67.7 Å²	67.7	23%	0.231	34%	0.339	C	S	.	.			trans	-86.1	-51.2	176.4	0	0	0	0	0	111.8	V661 Y670 I691 W693 R701	V661-A703 HydrophobicContact CG1-CB 4.07Å; Y670-A703 HydrophobicContact CD2-CB 4.15Å; Y670-A703 HydrophobicContact CE1-CB 4.29Å; Y670-A703 HydrophobicContact CE2-CB 3.56Å; I691-A703 PolarHBondContact O-N 3.25Å; I691-A703 VanDerWaalsContact O-N 3.09Å; W693-A703 HydrophobicContact CE3-CB 3.77Å; W693-A703 HydrophobicContact CZ3-CB 3.4Å; R701-A703 PolarHBondContact O-N 3.02Å
704	F	92.8	Very high	91.1	Very high	34 Å²	34	68.4 Å²	68.4	15%	0.149	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.2	-177.1	-61.2	-69	0	0	0	111.6	F643 V661 H663 S690 I691 W693 R702	F643-F704 HydrophobicContact CD1-CB 4.19Å; F643-F704 AromaticContact CD1-CD2 3.71Å; F643-F704 HydrophobicContact CD1-CD2 3.71Å; F643-F704 HydrophobicContact CD1-CE2 4.21Å; F643-F704 AromaticContact CD1-CG 3.96Å; F643-F704 HydrophobicContact CD1-CG 3.96Å; F643-F704 HydrophobicContact CE1-CB 4.24Å; F643-F704 HydrophobicContact CE1-CD2 4.47Å; F643-F704 HydrophobicContact CE1-CG 4.27Å; V661-F704 HydrophobicContact CB-CE2 3.77Å; V661-F704 HydrophobicContact CB-CZ 3.98Å; V661-F704 HydrophobicContact CG1-CE2 4.48Å; V661-F704 HydrophobicContact CG2-CE2 4.1Å; V661-F704 HydrophobicContact CG2-CZ 3.88Å; H663-F704 HydrophobicContact CB-CE1 3.91Å; H663-F704 HydrophobicContact CB-CE2 4.17Å; H663-F704 HydrophobicContact CB-CZ 3.67Å; S690-F704 WeakPolarHBondContact CA-O 3.18Å; I691-F704 HydrophobicContact CB-CB 4.43Å; I691-F704 PolarHBondContact N-O 3.08Å; I691-F704 PolarHBondContact O-N 2.76Å; W693-F704 AromaticContact CH2-CD2 3.88Å; W693-F704 HydrophobicContact CH2-CD2 3.88Å; W693-F704 HydrophobicContact CH2-CE2 4Å; W693-F704 AromaticContact CZ3-CD2 3.91Å; W693-F704 HydrophobicContact CZ3-CD2 3.91Å; W693-F704 HydrophobicContact CZ3-CE2 4.08Å; R702-F704 WeakPolarHBondContact CG-O 2.93Å
705	T	93.9	Very high	91.2	Very high	77 Å²	77	68.3 Å²	68.3	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.3	162	-57.9	0	0	0	0	106.9	G689 P707	G689-T705 CarbonylContact O-C 3.41Å; G689-T705 WeakPolarHBondContact O-CA 3.48Å; G689-T705 WeakPolarHBondContact O-CG2 3.19Å; T705-P707 WeakPolarHBondContact O-CD 3.34Å
706	I	93.9	Very high	91.4	Very high	5 Å²	5	68.4 Å²	68.4	3%	0.026	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-61.2	121	-179.1	-60.7	177.1	0	0	0	108.1	L684 L686 G689 I691 L710 F715	L684-I706 HydrophobicContact CD1-CD1 3.75Å; L686-I706 HydrophobicContact CD2-CD1 3.61Å; G689-I706 PolarHBondContact O-N 2.95Å; I691-I706 HydrophobicContact CD1-CG1 4.14Å; I691-I706 HydrophobicContact CG1-CD1 4.45Å; I691-I706 HydrophobicContact CG1-CG1 3.96Å; I706-L710 HydrophobicContact CG2-CB 3.89Å; I706-F715 HydrophobicContact CD1-CE2 4.44Å; I706-F715 HydrophobicContact CG2-CE2 4.43Å; I706-F715 HydrophobicContact CG2-CZ 4.18Å
707	P	92.3	Very high	91.6	Very high	29 Å²	29	65.4 Å²	65.4	19%	0.188	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-56.6	143.4	177.4	-25.4	34.8	0	0	0	111.5	F643 T705 Q709 L710 R711	F643-P707 HydrophobicContact CZ-CG 4.37Å; T705-P707 WeakPolarHBondContact O-CD 3.34Å; P707-Q709 HydrophobicContact CB-CG 3.99Å; P707-Q709 PolarHBondContact O-N 2.92Å; P707-Q709 VanDerWaalsContact O-N 3.08Å; P707-L710 PolarHBondContact O-N 2.88Å; P707-R711 PolarHBondContact O-N 2.86Å
708	D	89.6	Confident	91.9	Very high	127 Å²	127	63.8 Å²	63.8	68%	0.679	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-54.9	-34.1	-177.1	-68	-34.5	0	0	0	113.1	L710 R711	D708-L710 PolarHBondContact O-N 3.32Å; D708-R711 WeakPolarHBondContact O-CB 3.33Å; D708-R711 PolarHBondContact O-N 3.03Å; D708-R711 VanDerWaalsContact O-N 3.13Å; D708-R711 IonicContact OD1-CZ 2.74Å; D708-R711 IonicContact OD1-NE 3.53Å; D708-R711 PolarHBondContact OD1-NE 2.77Å
709	Q	90.9	Very high	92.2	Very high	111 Å²	111	57.7 Å²	57.7	52%	0.519	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.3	-21.4	176.2	67.9	177.3	20.8	0	0	114.3	P707	P707-Q709 HydrophobicContact CB-CG 3.99Å; P707-Q709 PolarHBondContact O-N 2.92Å; P707-Q709 VanDerWaalsContact O-N 3.08Å
710	L	92.4	Very high	92.6	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-103.6	0.5	178.5	-54.7	-174	0	0	0	112.3	T629 Y641 F643 I706 P707 D708 G712 E713 F715	T629-L710 HydrophobicContact CG2-CD2 4.45Å; Y641-L710 HydrophobicContact CD1-CD2 3.51Å; Y641-L710 HydrophobicContact CE1-CD2 3.77Å; F643-L710 HydrophobicContact CE2-CD1 3.89Å; F643-L710 HydrophobicContact CZ-CD1 4.02Å; I706-L710 HydrophobicContact CG2-CB 3.89Å; P707-L710 PolarHBondContact O-N 2.88Å; D708-L710 PolarHBondContact O-N 3.32Å; L710-G712 PolarHBondContact O-N 2.94Å; L710-E713 WeakPolarHBondContact O-CB 3.34Å; L710-E713 PolarHBondContact O-N 2.95Å; L710-E713 VanDerWaalsContact O-N 3.16Å; L710-F715 HydrophobicContact CB-CZ 4.04Å; L710-F715 HydrophobicContact CD1-CE1 4.42Å; L710-F715 HydrophobicContact CD1-CZ 4.1Å
711	R	87.2	Confident	92.9	Very high	158 Å²	158	53.2 Å²	53.2	60%	0.596	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	125.9	176.5	-76	-171	176.3	-168.5	-0	109.8	P707 D708 E713	P707-R711 PolarHBondContact O-N 2.86Å; D708-R711 WeakPolarHBondContact O-CB 3.33Å; D708-R711 PolarHBondContact O-N 3.03Å; D708-R711 VanDerWaalsContact O-N 3.13Å; D708-R711 IonicContact OD1-CZ 2.74Å; D708-R711 IonicContact OD1-NE 3.53Å; D708-R711 PolarHBondContact OD1-NE 2.77Å; R711-E713 VanDerWaalsContact C-N 3.34Å
712	G	86.2	Confident	93.3	Very high	66 Å²	66	45.9 Å²	45.9	68%	0.68	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	-7	-176.3	0	0	0	0	0	114.2	L710	L710-G712 PolarHBondContact O-N 2.94Å
713	E	93	Very high	93.5	Very high	78 Å²	78	41.2 Å²	41.2	36%	0.364	22%	0.224	S	C	.	.			trans	-71.8	158.5	168.5	-68.5	-59.8	146	0	0	111.4	T629 L710 R711	T629-E713 HydrophobicContact CG2-CB 4.19Å; L710-E713 WeakPolarHBondContact O-CB 3.34Å; L710-E713 PolarHBondContact O-N 2.95Å; L710-E713 VanDerWaalsContact O-N 3.16Å; R711-E713 VanDerWaalsContact C-N 3.34Å
714	A	95.2	Very high	93.8	Very high	16 Å²	16	39.9 Å²	39.9	13%	0.132	21%	0.213	C	C	.	.			trans	-90.6	143.2	171.5	0	0	0	0	0	110.5	V605 K606 V756	V605-A714 WeakPolarHBondContact O-CA 3.4Å; K606-A714 HydrophobicContact CB-CB 4.25Å; A714-V756 HydrophobicContact CB-CB 3.8Å; A714-V756 HydrophobicContact CB-CG1 3.83Å; A714-V756 HydrophobicContact CB-CG2 3.73Å
715	F	97.8	Very high	93.9	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-118.1	135.1	178.3	-73.8	-90.2	0	0	0	110.6	G604 V605 W627 S628 T629 F643 L684 L686 I706 L710	G604-F715 CarbonylContact C-O 3.52Å; G604-F715 WeakPolarHBondContact CA-O 3.47Å; V605-F715 PolarHBondContact N-O 2.84Å; V605-F715 PolarHBondContact O-N 2.91Å; W627-F715 HydrophobicContact CB-CB 4.42Å; W627-F715 HydrophobicContact CB-CD1 4.05Å; W627-F715 HydrophobicContact CE3-CB 3.95Å; S628-F715 CarbonylContact O-C 3.56Å; S628-F715 WeakPolarHBondContact O-CA 3.47Å; T629-F715 HydrophobicContact CG2-CD1 4.25Å; T629-F715 HydrophobicContact CG2-CE1 3.89Å; T629-F715 HydrophobicContact CG2-CZ 4.15Å; F643-F715 HydrophobicContact CD2-CE1 4.2Å; F643-F715 AromaticContact CE2-CE1 3.88Å; F643-F715 HydrophobicContact CE2-CE1 3.88Å; F643-F715 HydrophobicContact CE2-CZ 4.43Å; L684-F715 HydrophobicContact CD2-CB 3.52Å; L684-F715 HydrophobicContact CD2-CD2 4.19Å; L684-F715 HydrophobicContact CD2-CG 3.95Å; L686-F715 HydrophobicContact CD2-CD2 4.04Å; L686-F715 HydrophobicContact CD2-CE2 4.28Å; I706-F715 HydrophobicContact CD1-CE2 4.44Å; I706-F715 HydrophobicContact CG2-CE2 4.43Å; I706-F715 HydrophobicContact CG2-CZ 4.18Å; L710-F715 HydrophobicContact CB-CZ 4.04Å; L710-F715 HydrophobicContact CD1-CE1 4.42Å; L710-F715 HydrophobicContact CD1-CZ 4.1Å
716	L	98.1	Very high	94	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	138.5	177.7	-59.3	90.7	0	0	0	108.8	R600 A601 S628 N630 A718 N758	R600-L716 HydrophobicContact CG-CB 4.5Å; A601-L716 WeakPolarHBondContact O-CD2 3.41Å; S628-L716 PolarHBondContact N-O 2.77Å; S628-L716 PolarHBondContact O-N 2.73Å; N630-L716 HydrophobicContact CB-CD1 4.4Å; N630-L716 WeakPolarHBondContact OD1-CD1 3.44Å; L716-A718 PolarHBondContact O-N 3.18Å; L716-N758 HydrophobicContact CD2-CB 3.67Å
717	P	98.3	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	133.3	160.6	-26	35.1	0	0	0	110.5	W568 A601 Y613 W627 F730 V747	W568-P717 HydrophobicContact CZ3-CG 4.1Å; A601-P717 HydrophobicContact CB-CB 4.03Å; A601-P717 HydrophobicContact CB-CG 4.2Å; A601-P717 PolarHBondContact N-O 3.36Å; Y613-P717 HydrophobicContact CD1-CB 3.99Å; Y613-P717 HydrophobicContact CD1-CG 3.94Å; Y613-P717 HydrophobicContact CD2-CB 4.45Å; Y613-P717 HydrophobicContact CE1-CB 3.6Å; Y613-P717 HydrophobicContact CE1-CG 3.95Å; Y613-P717 HydrophobicContact CE2-CB 4.14Å; Y613-P717 HydrophobicContact CG-CB 4.39Å; Y613-P717 HydrophobicContact CG-CG 4.48Å; W627-P717 HydrophobicContact CE3-CG 4.49Å; W627-P717 HydrophobicContact CH2-CG 4.42Å; W627-P717 HydrophobicContact CZ3-CG 3.95Å; P717-F730 HydrophobicContact CB-CD1 4.49Å; P717-F730 HydrophobicContact CB-CE1 3.65Å; P717-F730 HydrophobicContact CB-CZ 4.45Å; P717-F730 HydrophobicContact CG-CD1 4.37Å; P717-F730 HydrophobicContact CG-CE1 3.95Å; P717-V747 HydrophobicContact CG-CG1 4.49Å
718	A	98.3	Very high	94.5	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	156.2	-173.7	0	0	0	0	0	111.2	C599 R600 Y613 G626 S628 L636 L716	C599-A718 VanDerWaalsContact O-CA 3.31Å; C599-A718 WeakPolarHBondContact O-CA 3.31Å; C599-A718 WeakPolarHBondContact O-CB 3.37Å; R600-A718 HydrophobicContact CG-CB 3.96Å; Y613-A718 PolarHBondContact OH-O 2.82Å; G626-A718 PolarHBondContact N-O 2.83Å; G626-A718 PolarHBondContact O-N 2.87Å; G626-A718 VanDerWaalsContact O-O 3.13Å; S628-A718 WeakPolarHBondContact OG-CB 3.44Å; L636-A718 HydrophobicContact CD1-CB 4.01Å; L636-A718 HydrophobicContact CD2-CB 4.36Å; L716-A718 PolarHBondContact O-N 3.18Å
719	A	97.9	Very high	94.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.2	169.3	0	0	0	0	0	112.4	G598 C599 R624 V625 I726 F728	G598-A719 CarbonylContact C-O 3.56Å; G598-A719 VanDerWaalsContact CA-O 3.23Å; G598-A719 WeakPolarHBondContact CA-O 3.3Å; C599-A719 PolarHBondContact N-O 3.36Å; C599-A719 PolarHBondContact O-N 2.87Å; C599-A719 VanDerWaalsContact O-N 3.09Å; R624-A719 CarbonylContact O-C 3.57Å; R624-A719 WeakPolarHBondContact O-CA 3.27Å; R624-A719 WeakPolarHBondContact O-CB 3.42Å; V625-A719 HydrophobicContact CG2-CB 4.28Å; A719-I726 HydrophobicContact CB-CD1 3.6Å; A719-F728 HydrophobicContact CB-CE1 4.47Å; A719-F728 HydrophobicContact CB-CE2 4.43Å; A719-F728 HydrophobicContact CB-CZ 3.62Å
720	S	96.7	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.3	161.8	-53.9	0	0	0	0	110.2	W596 Q597 I623 R624 L634 E635 L636	W596-S720 WeakPolarHBondContact CZ3-O 3.47Å; Q597-S720 CarbonylContact O-C 3.51Å; Q597-S720 VanDerWaalsContact O-CA 3.22Å; Q597-S720 WeakPolarHBondContact O-CA 3.39Å; I623-S720 CarbonylContact C-O 3.54Å; I623-S720 WeakPolarHBondContact CA-O 3.39Å; R624-S720 PolarHBondContact N-O 3.36Å; R624-S720 PolarHBondContact O-N 3.07Å; L634-S720 PolarHBondContact O-OG 2.59Å; E635-S720 WeakPolarHBondContact CA-OG 3.39Å; L636-S720 WeakPolarHBondContact CB-OG 3.36Å; L636-S720 PolarHBondContact N-OG 3.42Å
721	L	95.6	Very high	95.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.3	-173.8	-52.5	177.6	0	0	0	109.1	L579 V588 Q597 I623 I726	L579-L721 HydrophobicContact CD2-CD1 4.17Å; V588-L721 HydrophobicContact CB-CD1 4.23Å; V588-L721 HydrophobicContact CG1-CD1 3.78Å; V588-L721 VanDerWaalsContact O-CD1 3.31Å; V588-L721 WeakPolarHBondContact O-CD1 3.43Å; Q597-L721 PolarHBondContact N-O 3.46Å; Q597-L721 PolarHBondContact O-N 3.4Å; I623-L721 HydrophobicContact CB-CD2 3.98Å; I623-L721 HydrophobicContact CG2-CD2 3.54Å; L721-I726 HydrophobicContact CD1-CG1 4.05Å; L721-I726 HydrophobicContact CD2-CB 4.42Å; L721-I726 HydrophobicContact CD2-CD1 3.9Å; L721-I726 HydrophobicContact CD2-CG1 3.92Å; L721-I726 HydrophobicContact CD2-CG2 3.69Å
722	K	93.8	Very high	95.3	Very high	69 Å²	69	26 Å²	26	30%	0.3	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	117	168.2	173.9	175.8	174.4	-171.5	0	109.1	G595 W596 L622 S724	G595-K722 WeakPolarHBondContact O-CB 3.3Å; W596-K722 HydrophobicContact CD2-CB 3.98Å; W596-K722 HydrophobicContact CE3-CB 3.99Å; W596-K722 HydrophobicContact CG-CB 4.39Å; W596-K722 HydrophobicContact CZ3-CB 4.41Å; L622-K722 HydrophobicContact CB-CB 4.23Å; L622-K722 HydrophobicContact CD1-CD 4.19Å; L622-K722 PolarHBondContact N-O 3.27Å; L622-K722 PolarHBondContact O-N 3.25Å; K722-S724 PolarHBondContact O-N 2.8Å
723	D	92.5	Very high	95.1	Very high	57 Å²	57	29.2 Å²	29.2	31%	0.305	14%	0.14	S	C	.	.	S	Bend	trans	56	29.3	-177.1	-54.2	-55	0	0	0	113.2	S590 R592 G593	S590-D723 PolarHBondContact OG-N 2.97Å; R592-D723 WeakPolarHBondContact CA-OD1 3.22Å; G593-D723 PolarHBondContact N-OD1 3.1Å
724	S	93.1	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.148	C	C	.	.			trans	-138.1	172.6	-175.2	-175.2	0	0	0	0	112.3	S590 E619 I623 K722	S590-S724 PolarHBondContact N-O 2.87Å; S590-S724 PolarHBondContact OG-N 3.33Å; S590-S724 PolarHBondContact OG-O 2.82Å; E619-S724 PolarHBondContact O-OG 2.77Å; I623-S724 WeakPolarHBondContact CG2-OG 3.33Å; K722-S724 PolarHBondContact O-N 2.8Å
725	R	95.6	Very high	94.6	Very high	84 Å²	84	35.7 Å²	35.7	32%	0.317	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	138.7	-179.8	179.7	-178.1	178.7	-173.9	-0.4	110.7	D587 V588 A589 L618 E619	D587-R725 IonicContact OD1-CZ 3.8Å; D587-R725 IonicContact OD1-NE 3.47Å; D587-R725 PolarHBondContact OD1-NE 2.9Å; D587-R725 IonicContact OD1-NH2 2.91Å; D587-R725 IonicContact OD2-CZ 3.81Å; D587-R725 IonicContact OD2-NE 3.13Å; D587-R725 PolarHBondContact OD2-NE 2.98Å; D587-R725 IonicContact OD2-NH2 3.26Å; D587-R725 PolarHBondContact OD2-NH2 3.15Å; V588-R725 CarbonylContact O-C 3.43Å; V588-R725 VanDerWaalsContact O-CA 3.24Å; V588-R725 WeakPolarHBondContact O-CA 3.33Å; V588-R725 WeakPolarHBondContact O-CG 3.46Å; A589-R725 HydrophobicContact CB-CB 4.01Å; A589-R725 HydrophobicContact CB-CG 3.83Å; L618-R725 HydrophobicContact CB-CB 4.32Å; L618-R725 HydrophobicContact CB-CG 4.06Å; L618-R725 HydrophobicContact CD1-CG 4.08Å; L618-R725 PolarHBondContact N-O 3.3Å; E619-R725 HydrophobicContact CB-CB 3.98Å; E619-R725 HydrophobicContact CG-CB 3.94Å; E619-R725 PolarHBondContact N-O 2.87Å; E619-R725 WeakPolarHBondContact OE1-CD 3.13Å; E619-R725 IonicContact OE1-NH1 3.76Å
726	I	96.2	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.6	177.9	64.6	170.4	0	0	0	111.8	V588 A615 A616 I623 V625 A719 L721 F728	V588-I726 HydrophobicContact CB-CG1 4.37Å; V588-I726 PolarHBondContact N-O 3.24Å; V588-I726 PolarHBondContact O-N 3.11Å; A615-I726 HydrophobicContact CB-CD1 4.34Å; A616-I726 CarbonylContact O-C 3.51Å; A616-I726 WeakPolarHBondContact O-CA 3.26Å; A616-I726 WeakPolarHBondContact O-CB 3.14Å; I623-I726 HydrophobicContact CD1-CG2 4.21Å; I623-I726 HydrophobicContact CG2-CG2 4.07Å; V625-I726 HydrophobicContact CG2-CD1 4.08Å; A719-I726 HydrophobicContact CB-CD1 3.6Å; L721-I726 HydrophobicContact CD1-CG1 4.05Å; L721-I726 HydrophobicContact CD2-CB 4.42Å; L721-I726 HydrophobicContact CD2-CD1 3.9Å; L721-I726 HydrophobicContact CD2-CG1 3.92Å; L721-I726 HydrophobicContact CD2-CG2 3.69Å; I726-F728 HydrophobicContact CD1-CD2 4.15Å; I726-F728 HydrophobicContact CD1-CE1 4.3Å; I726-F728 HydrophobicContact CD1-CE2 3.4Å; I726-F728 HydrophobicContact CD1-CZ 3.51Å; I726-F728 HydrophobicContact CG1-CD2 4.38Å; I726-F728 HydrophobicContact CG1-CE2 3.92Å
727	L	97.5	Very high	94.4	Very high	52 Å²	52	42.8 Å²	42.8	27%	0.272	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.9	171.8	-178.4	69.8	0	0	0	109.9	L586 D587 A615 A616 L618	L586-L727 HydrophobicContact CB-CD1 4.02Å; L586-L727 CarbonylContact O-C 3.38Å; L586-L727 WeakPolarHBondContact O-CA 3.46Å; D587-L727 HydrophobicContact CB-CD1 3.99Å; A615-L727 CarbonylContact C-O 3.53Å; A615-L727 VanDerWaalsContact CA-O 3.28Å; A615-L727 WeakPolarHBondContact CA-O 3.49Å; A616-L727 HydrophobicContact CB-CB 4.42Å; A616-L727 PolarHBondContact N-O 2.87Å; A616-L727 PolarHBondContact O-N 3.09Å; L618-L727 HydrophobicContact CD1-CB 3.88Å; L618-L727 HydrophobicContact CD2-CB 4.21Å; L618-L727 HydrophobicContact CG-CB 4.06Å
728	F	97.9	Very high	94.3	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.3	175.9	-73.2	-91.3	0	0	0	112	I570 L586 V588 Y613 A615 V625 A719 I726 F730	I570-F728 HydrophobicContact CD1-CD1 4.31Å; I570-F728 HydrophobicContact CD1-CD2 4.04Å; I570-F728 HydrophobicContact CD1-CE1 3.97Å; I570-F728 HydrophobicContact CD1-CE2 3.68Å; I570-F728 HydrophobicContact CD1-CG 4.33Å; I570-F728 HydrophobicContact CD1-CZ 3.61Å; I570-F728 HydrophobicContact CG1-CD2 3.53Å; I570-F728 HydrophobicContact CG1-CE2 3.43Å; I570-F728 VanDerWaalsContact CG1-CE2 3.43Å; I570-F728 HydrophobicContact CG1-CG 4.14Å; I570-F728 HydrophobicContact CG1-CZ 3.95Å; L586-F728 PolarHBondContact O-N 2.82Å; V588-F728 HydrophobicContact CB-CE2 4.39Å; V588-F728 HydrophobicContact CG2-CD2 4.06Å; V588-F728 HydrophobicContact CG2-CE2 3.85Å; Y613-F728 HydrophobicContact CD2-CD1 4.13Å; Y613-F728 AromaticContact CE2-CD1 3.83Å; Y613-F728 HydrophobicContact CE2-CD1 3.83Å; Y613-F728 AromaticContact CE2-CE1 3.82Å; Y613-F728 HydrophobicContact CE2-CE1 3.82Å; A615-F728 HydrophobicContact CB-CD1 4.42Å; V625-F728 HydrophobicContact CG1-CE1 4.41Å; A719-F728 HydrophobicContact CB-CE1 4.47Å; A719-F728 HydrophobicContact CB-CE2 4.43Å; A719-F728 HydrophobicContact CB-CZ 3.62Å; I726-F728 HydrophobicContact CD1-CD2 4.15Å; I726-F728 HydrophobicContact CD1-CE1 4.3Å; I726-F728 HydrophobicContact CD1-CE2 3.4Å; I726-F728 HydrophobicContact CD1-CZ 3.51Å; I726-F728 HydrophobicContact CG1-CD2 4.38Å; I726-F728 HydrophobicContact CG1-CE2 3.92Å; F728-F730 HydrophobicContact CB-CD2 4.42Å; F728-F730 HydrophobicContact CB-CE1 4.28Å; F728-F730 HydrophobicContact CB-CE2 3.76Å; F728-F730 HydrophobicContact CB-CZ 3.69Å; F728-F730 AromaticContact CD1-CE1 3.83Å; F728-F730 HydrophobicContact CD1-CE1 3.83Å; F728-F730 AromaticContact CD1-CZ 3.66Å; F728-F730 HydrophobicContact CD1-CZ 3.66Å; F728-F730 HydrophobicContact CE1-CZ 4.46Å; F728-F730 HydrophobicContact CG-CE1 4.36Å; F728-F730 HydrophobicContact CG-CE2 4.32Å; F728-F730 AromaticContact CG-CZ 3.8Å; F728-F730 HydrophobicContact CG-CZ 3.8Å
729	N	97.4	Very high	94	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.3	167.1	-178.2	-0	0	0	0	109.5	E614 G731 Q734 P735	E614-N729 HydrophobicContact CB-CB 4.21Å; E614-N729 PolarHBondContact N-O 2.89Å; E614-N729 PolarHBondContact O-N 2.72Å; N729-G731 PolarHBondContact OD1-N 3.03Å; N729-Q734 PolarHBondContact OD1-O 3.2Å; N729-P735 PolarHBondContact ND2-O 3.01Å
730	F	97.5	Very high	93.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	25%	0.248	C	C	.	.			trans	-89.7	-4.3	-179.2	-63.2	-58.7	0	0	0	113.7	W568 I570 L586 A601 Y613 P717 F728 V747 A748	W568-F730 HydrophobicContact CB-CB 3.76Å; W568-F730 HydrophobicContact CB-CD2 3.73Å; W568-F730 HydrophobicContact CB-CG 3.83Å; W568-F730 HydrophobicContact CE3-CD1 4.45Å; W568-F730 HydrophobicContact CG-CB 4.4Å; W568-F730 VanDerWaalsContact O-CD2 3.27Å; W568-F730 WeakPolarHBondContact O-CD2 3.4Å; I570-F730 HydrophobicContact CD1-CZ 4.03Å; I570-F730 HydrophobicContact CG1-CZ 4.44Å; L586-F730 HydrophobicContact CD2-CD2 3.77Å; L586-F730 HydrophobicContact CD2-CE2 3.78Å; A601-F730 HydrophobicContact CB-CZ 4.39Å; Y613-F730 HydrophobicContact CD2-CD1 4.26Å; Y613-F730 HydrophobicContact CD2-CE1 4.1Å; Y613-F730 HydrophobicContact CG-CD1 4.21Å; Y613-F730 HydrophobicContact CG-CE1 4.37Å; P717-F730 HydrophobicContact CB-CD1 4.49Å; P717-F730 HydrophobicContact CB-CE1 3.65Å; P717-F730 HydrophobicContact CB-CZ 4.45Å; P717-F730 HydrophobicContact CG-CD1 4.37Å; P717-F730 HydrophobicContact CG-CE1 3.95Å; F728-F730 HydrophobicContact CB-CD2 4.42Å; F728-F730 HydrophobicContact CB-CE1 4.28Å; F728-F730 HydrophobicContact CB-CE2 3.76Å; F728-F730 HydrophobicContact CB-CZ 3.69Å; F728-F730 AromaticContact CD1-CE1 3.83Å; F728-F730 HydrophobicContact CD1-CE1 3.83Å; F728-F730 AromaticContact CD1-CZ 3.66Å; F728-F730 HydrophobicContact CD1-CZ 3.66Å; F728-F730 HydrophobicContact CE1-CZ 4.46Å; F728-F730 HydrophobicContact CG-CE1 4.36Å; F728-F730 HydrophobicContact CG-CE2 4.32Å; F728-F730 AromaticContact CG-CZ 3.8Å; F728-F730 HydrophobicContact CG-CZ 3.8Å; F730-V747 HydrophobicContact CB-CG2 3.72Å; F730-V747 HydrophobicContact CD1-CG2 3.63Å; F730-V747 HydrophobicContact CG-CG2 4.08Å; F730-V747 WeakPolarHBondContact O-CG2 3.49Å; F730-A748 HydrophobicContact CB-CB 4.3Å; F730-A748 WeakPolarHBondContact O-CB 3.43Å; F730-A748 PolarHBondContact O-N 3.22Å; F730-A748 VanDerWaalsContact O-N 3.08Å
731	G	93.8	Very high	93.1	Very high	4 Å²	4	57 Å²	57	4%	0.041	29%	0.289	C	S	.	.	S	Bend	trans	82	27.5	-177.4	0	0	0	0	0	114.7	N729 Q749	N729-G731 PolarHBondContact OD1-N 3.03Å; G731-Q749 PolarHBondContact O-NE2 3.19Å
732	E	88.6	Confident	92.6	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.369	32%	0.315	S	S	.	.	S	Bend	trans	-93.6	-76.8	179.6	-164.6	167.3	-169.7	0	0	111.7	H567 W568 A748	H567-E732 WeakPolarHBondContact CA-OE2 3.49Å; H567-E732 IonicContact CE1-OE1 3.66Å; H567-E732 IonicContact CG-OE1 2.69Å; H567-E732 IonicContact ND1-OE1 3.28Å; H567-E732 PolarHBondContact ND1-OE1 3.43Å; H567-E732 IonicContact ND1-OE2 3.09Å; W568-E732 PolarHBondContact N-OE2 2.8Å; E732-A748 HydrophobicContact CB-CB 3.55Å; E732-A748 HydrophobicContact CG-CB 4.2Å
733	E	81.6	Confident	92.5	Very high	133 Å²	133	62.1 Å²	62.1	62%	0.621	34%	0.339	S	S	*	.	S	Bend	trans	-81.8	-37	-179	-64	-174.7	167.5	0	0	112.9
734	Q	85.6	Confident	92.5	Very high	114 Å²	114	62 Å²	62	53%	0.533	34%	0.336	S	S	.	.	S	Bend	trans	-110.9	138.3	-178.3	-64.8	-171.9	10	0	0	110.1	N729	N729-Q734 PolarHBondContact OD1-O 3.2Å
735	P	92	Very high	92.7	Very high	116 Å²	116	65 Å²	65	75%	0.753	35%	0.351	S	S	*	.			trans	-61.1	149.3	170.4	27.1	-32.6	0	0	0	109.9	N729	N729-P735 PolarHBondContact ND2-O 3.01Å
736	L	96.1	Very high	92.8	Very high	23 Å²	23	61.6 Å²	61.6	12%	0.12	34%	0.34	C	S	.	.			trans	-63.2	136.7	170.8	-64.3	163.1	0	0	0	109.2	Y612 E614 P739 F744 P746	Y612-L736 HydrophobicContact CD1-CD1 3.6Å; Y612-L736 HydrophobicContact CD1-CD2 4.17Å; Y612-L736 HydrophobicContact CD1-CG 4.45Å; Y612-L736 HydrophobicContact CE1-CD1 3.93Å; Y612-L736 HydrophobicContact CE1-CD2 4.1Å; Y612-L736 HydrophobicContact CE1-CG 4.43Å; E614-L736 HydrophobicContact CB-CD2 4.19Å; E614-L736 HydrophobicContact CG-CD2 3.95Å; E614-L736 WeakPolarHBondContact OE2-CA 3.24Å; L736-P739 HydrophobicContact CB-CB 4.48Å; L736-F744 HydrophobicContact CD1-CE2 3.72Å; L736-F744 HydrophobicContact CD1-CZ 4.32Å; L736-P746 HydrophobicContact CD1-CB 4.02Å; L736-P746 HydrophobicContact CD1-CG 3.84Å
737	E	95.7	Very high	92.8	Very high	128 Å²	128	61.6 Å²	61.6	60%	0.598	34%	0.34	S	S	*	.	S	Bend	trans	-76.2	-37.6	-177.2	-168.5	174.1	170.5	0	0	111.3	E614 V679 P739	E614-E737 PolarHBondContact OE2-N 3.15Å; V679-E737 WeakPolarHBondContact CG2-OE2 3.38Å; E737-P739 VanDerWaalsContact C-CD 3.49Å
738	F	96	Very high	92.7	Very high	58 Å²	58	60 Å²	60	25%	0.254	34%	0.335	S	S	.	.	S	Bend	trans	-130.5	62.5	-176.7	-63.1	-73.4	0	0	0	112.4	Y612 E614 V679 N696	Y612-F738 PolarHBondContact OH-O 2.65Å; E614-F738 VanDerWaalsContact OE1-CA 3.27Å; E614-F738 WeakPolarHBondContact OE1-CA 3.24Å; E614-F738 PolarHBondContact OE1-N 3.17Å; V679-F738 HydrophobicContact CB-CD2 3.7Å; V679-F738 HydrophobicContact CB-CE2 3.79Å; V679-F738 HydrophobicContact CG1-CD2 3.92Å; V679-F738 HydrophobicContact CG1-CE2 4.44Å; V679-F738 HydrophobicContact CG2-CD2 4.18Å; V679-F738 HydrophobicContact CG2-CE2 3.84Å; N696-F738 HydrophobicContact CB-CE2 4.48Å; N696-F738 HydrophobicContact CB-CZ 4.3Å
739	P	93.4	Very high	92.5	Very high	68 Å²	68	66 Å²	66	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-60.4	138.4	178.9	26.3	-34.3	0	0	0	111.5	L736 E737 F744	L736-P739 HydrophobicContact CB-CB 4.48Å; E737-P739 VanDerWaalsContact C-CD 3.49Å; P739-F744 HydrophobicContact CB-CE1 3.95Å; P739-F744 HydrophobicContact CB-CE2 4.45Å; P739-F744 HydrophobicContact CB-CZ 3.48Å; P739-F744 VanDerWaalsContact CB-CZ 3.48Å
740	P	92	Very high	92.3	Very high	14 Å²	14	64.9 Å²	64.9	9%	0.091	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.7	150.1	-178.2	26.9	-32.6	0	0	0	112.8	Y612 I699 G742 F744	Y612-P740 HydrophobicContact CD1-CG 4.48Å; Y612-P740 HydrophobicContact CD2-CG 3.88Å; Y612-P740 HydrophobicContact CE2-CG 4.05Å; Y612-P740 HydrophobicContact CG-CG 4.09Å; I699-P740 HydrophobicContact CD1-CB 3.44Å; I699-P740 VanDerWaalsContact CD1-CB 3.44Å; I699-P740 HydrophobicContact CG1-CB 4.26Å; P740-G742 PolarHBondContact O-N 3.17Å; P740-F744 HydrophobicContact CG-CB 4.24Å; P740-F744 HydrophobicContact CG-CD1 3.6Å; P740-F744 HydrophobicContact CG-CD2 4.24Å; P740-F744 HydrophobicContact CG-CE1 3.97Å; P740-F744 HydrophobicContact CG-CG 3.75Å; P740-F744 HydrophobicContact CG-CZ 4.44Å; P740-F744 WeakPolarHBondContact O-CD1 3.38Å; P740-F744 WeakPolarHBondContact O-CE1 3.17Å
741	D	84.3	Confident	92	Very high	161 Å²	161	67.7 Å²	67.7	86%	0.861	38%	0.381	S	S	*	.	S	Bend	trans	-67.7	120.9	172.3	-67.6	-39.6	0	0	0	110.8
742	G	85.1	Confident	91.6	Very high	54 Å²	54	72.8 Å²	72.8	56%	0.557	41%	0.407	S	S	*	.	S	Bend	trans	118.2	-171.6	175.9	0	0	0	0	0	114.3	P740 F744	P740-G742 PolarHBondContact O-N 3.17Å; G742-F744 WeakPolarHBondContact O-CD1 3.28Å; G742-F744 PolarHBondContact O-N 2.78Å
743	P	89.9	Confident	91.6	Very high	124 Å²	124	74.9 Å²	74.9	81%	0.805	42%	0.421	S	S	*	.	S	Bend	trans	-75.4	119.1	-179.4	29.2	-32.1	0	0	0	110.8
744	F	94.1	Very high	92.1	Very high	53 Å²	53	69.2 Å²	69.2	23%	0.232	40%	0.396	C	S	.	.			trans	-147.8	164.9	171	74.3	-85	0	0	0	109.5	A610 Y612 L683 L736 P739 P740 G742 P746	A610-F744 CarbonylContact O-C 3.54Å; Y612-F744 HydrophobicContact CD1-CD2 4.34Å; Y612-F744 HydrophobicContact CD1-CE2 4.2Å; Y612-F744 HydrophobicContact CG-CD2 4.25Å; L683-F744 HydrophobicContact CD1-CB 4.4Å; L736-F744 HydrophobicContact CD1-CE2 3.72Å; L736-F744 HydrophobicContact CD1-CZ 4.32Å; P739-F744 HydrophobicContact CB-CE1 3.95Å; P739-F744 HydrophobicContact CB-CE2 4.45Å; P739-F744 HydrophobicContact CB-CZ 3.48Å; P739-F744 VanDerWaalsContact CB-CZ 3.48Å; P740-F744 HydrophobicContact CG-CB 4.24Å; P740-F744 HydrophobicContact CG-CD1 3.6Å; P740-F744 HydrophobicContact CG-CD2 4.24Å; P740-F744 HydrophobicContact CG-CE1 3.97Å; P740-F744 HydrophobicContact CG-CG 3.75Å; P740-F744 HydrophobicContact CG-CZ 4.44Å; P740-F744 WeakPolarHBondContact O-CD1 3.38Å; P740-F744 WeakPolarHBondContact O-CE1 3.17Å; G742-F744 WeakPolarHBondContact O-CD1 3.28Å; G742-F744 PolarHBondContact O-N 2.78Å; F744-P746 HydrophobicContact CD2-CG 4.49Å; F744-P746 HydrophobicContact CE2-CG 3.91Å
745	I	96.6	Very high	92.5	Very high	64 Å²	64	65 Å²	65	33%	0.328	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.5	177.1	-56	171	0	0	0	107.6	A610 Y611 Y612 V747 Q749	A610-I745 PolarHBondContact O-N 3Å; Y611-I745 CarbonylContact C-O 3.58Å; Y611-I745 VanDerWaalsContact CA-O 3.28Å; Y611-I745 WeakPolarHBondContact CA-O 3.39Å; Y611-I745 HydrophobicContact CD1-CB 4.07Å; Y611-I745 HydrophobicContact CD1-CG2 4.34Å; Y611-I745 HydrophobicContact CE1-CB 4.27Å; Y611-I745 HydrophobicContact CE1-CD1 4.28Å; Y611-I745 HydrophobicContact CE1-CG2 4.35Å; Y612-I745 PolarHBondContact N-O 2.89Å; I745-V747 PolarHBondContact O-N 3.36Å; I745-Q749 HydrophobicContact CG2-CB 4.44Å
746	P	96.8	Very high	92.5	Very high	13 Å²	13	61.3 Å²	61.3	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	134.6	166.8	-22.3	31.9	0	0	0	109.6	Y612 L736 F744 A748 Q749 S750	Y612-P746 WeakPolarHBondContact O-CA 3.49Å; L736-P746 HydrophobicContact CD1-CB 4.02Å; L736-P746 HydrophobicContact CD1-CG 3.84Å; F744-P746 HydrophobicContact CD2-CG 4.49Å; F744-P746 HydrophobicContact CE2-CG 3.91Å; P746-A748 PolarHBondContact O-N 3.13Å; P746-A748 VanDerWaalsContact O-N 3.12Å; P746-Q749 HydrophobicContact CB-CB 4.34Å; P746-Q749 HydrophobicContact CB-CG 4.16Å; P746-Q749 HydrophobicContact CG-CG 4.37Å; P746-Q749 WeakPolarHBondContact O-CA 3.44Å; P746-Q749 PolarHBondContact O-N 2.9Å; P746-S750 PolarHBondContact O-N 2.87Å
747	V	97.1	Very high	92.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-55.9	-36	-174.7	-67.4	0	0	0	0	112.7	W568 V605 Y612 Y613 W627 P717 F730 I745 Q749 S750	W568-V747 HydrophobicContact CD2-CB 4.48Å; W568-V747 HydrophobicContact CD2-CG2 4.22Å; W568-V747 HydrophobicContact CE3-CB 4.09Å; W568-V747 HydrophobicContact CE3-CG2 3.78Å; W568-V747 HydrophobicContact CH2-CB 3.86Å; W568-V747 HydrophobicContact CH2-CG2 4.47Å; W568-V747 HydrophobicContact CZ2-CB 4.24Å; W568-V747 WeakPolarHBondContact CZ2-O 3.39Å; W568-V747 HydrophobicContact CZ3-CB 3.78Å; W568-V747 HydrophobicContact CZ3-CG2 3.93Å; V605-V747 HydrophobicContact CG1-CG1 4.29Å; Y612-V747 PolarHBondContact O-N 3.36Å; Y613-V747 HydrophobicContact CD1-CG1 4.49Å; W627-V747 HydrophobicContact CH2-CG1 3.55Å; W627-V747 HydrophobicContact CZ3-CG1 4.25Å; P717-V747 HydrophobicContact CG-CG1 4.49Å; F730-V747 HydrophobicContact CB-CG2 3.72Å; F730-V747 HydrophobicContact CD1-CG2 3.63Å; F730-V747 HydrophobicContact CG-CG2 4.08Å; F730-V747 WeakPolarHBondContact O-CG2 3.49Å; I745-V747 PolarHBondContact O-N 3.36Å; V747-Q749 PolarHBondContact O-N 3.36Å; V747-S750 VanDerWaalsContact O-CB 3.32Å; V747-S750 WeakPolarHBondContact O-CB 3.35Å; V747-S750 PolarHBondContact O-N 2.85Å; V747-S750 VanDerWaalsContact O-N 3.16Å; V747-S750 PolarHBondContact O-OG 3.28Å
748	A	94.3	Very high	91.9	Very high	19 Å²	19	57.9 Å²	57.9	16%	0.157	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-63.4	-23	176.1	0	0	0	0	0	114.6	W568 F730 E732 P746	W568-A748 HydrophobicContact CG-CB 4.27Å; F730-A748 HydrophobicContact CB-CB 4.3Å; F730-A748 WeakPolarHBondContact O-CB 3.43Å; F730-A748 PolarHBondContact O-N 3.22Å; F730-A748 VanDerWaalsContact O-N 3.08Å; E732-A748 HydrophobicContact CB-CB 3.55Å; E732-A748 HydrophobicContact CG-CB 4.2Å; P746-A748 PolarHBondContact O-N 3.13Å; P746-A748 VanDerWaalsContact O-N 3.12Å
749	Q	94.3	Very high	91.6	Very high	129 Å²	129	60.7 Å²	60.7	60%	0.603	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-101.7	8.1	-179.1	-59.3	175.3	15.6	0	0	112.2	G731 I745 P746 V747	G731-Q749 PolarHBondContact O-NE2 3.19Å; I745-Q749 HydrophobicContact CG2-CB 4.44Å; P746-Q749 HydrophobicContact CB-CB 4.34Å; P746-Q749 HydrophobicContact CB-CG 4.16Å; P746-Q749 HydrophobicContact CG-CG 4.37Å; P746-Q749 WeakPolarHBondContact O-CA 3.44Å; P746-Q749 PolarHBondContact O-N 2.9Å; V747-Q749 PolarHBondContact O-N 3.36Å
750	S	93.9	Very high	91.2	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.035	35%	0.346	C	S	.	.	S	Bend	trans	-67.1	142.3	175.9	62.1	0	0	0	0	111.5	P746 V747 Q755	P746-S750 PolarHBondContact O-N 2.87Å; V747-S750 VanDerWaalsContact O-CB 3.32Å; V747-S750 WeakPolarHBondContact O-CB 3.35Å; V747-S750 PolarHBondContact O-N 2.85Å; V747-S750 VanDerWaalsContact O-N 3.16Å; V747-S750 PolarHBondContact O-OG 3.28Å; S750-Q755 PolarHBondContact O-NE2 2.82Å; S750-Q755 WeakPolarHBondContact OG-CG 3.31Å; S750-Q755 PolarHBondContact OG-NE2 3.23Å
751	A	91.6	Very high	90.6	Very high	63 Å²	63	62.1 Å²	62.1	52%	0.521	36%	0.358	S	S	.	.			trans	-63.6	145.9	178.8	0	0	0	0	0	112	D753 S754 Q755	A751-D753 PolarHBondContact O-N 2.98Å; A751-D753 VanDerWaalsContact O-N 3.09Å; A751-S754 WeakPolarHBondContact O-CA 3.47Å; A751-S754 WeakPolarHBondContact O-CB 3.48Å; A751-S754 PolarHBondContact O-N 2.82Å; A751-Q755 PolarHBondContact O-N 2.89Å
752	D	84.9	Confident	90.8	Very high	110 Å²	110	55.3 Å²	55.3	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.1	-178.1	-70.1	-15	0	0	0	114.2	S754 Q755	D752-S754 VanDerWaalsContact C-N 3.27Å; D752-S754 PolarHBondContact O-N 3Å; D752-Q755 PolarHBondContact O-N 2.91Å
753	D	88.4	Confident	91.2	Very high	123 Å²	123	53.6 Å²	53.6	66%	0.658	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.6	177.9	-89.6	-9.6	0	0	0	112.9	K606 A751	K606-D753 WeakPolarHBondContact CE-O 3.23Å; K606-D753 PolarHBondContact NZ-O 3.26Å; A751-D753 PolarHBondContact O-N 2.98Å; A751-D753 VanDerWaalsContact O-N 3.09Å
754	S	93	Very high	91.3	Very high	15 Å²	15	48.8 Å²	48.8	11%	0.105	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-19.1	174.7	-67.7	0	0	0	0	112.8	V605 K606 Y611 A751 D752	V605-S754 WeakPolarHBondContact CA-O 3.22Å; K606-S754 WeakPolarHBondContact CG-O 3.41Å; K606-S754 PolarHBondContact N-O 3.35Å; Y611-S754 WeakPolarHBondContact OH-CB 3.44Å; Y611-S754 PolarHBondContact OH-OG 3.46Å; Y611-S754 VanDerWaalsContact OH-OG 3.06Å; A751-S754 WeakPolarHBondContact O-CA 3.47Å; A751-S754 WeakPolarHBondContact O-CB 3.48Å; A751-S754 PolarHBondContact O-N 2.82Å; D752-S754 VanDerWaalsContact C-N 3.27Å; D752-S754 PolarHBondContact O-N 3Å
755	Q	93.3	Very high	91.4	Very high	24 Å²	24	46.7 Å²	46.7	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.4	176.1	-66.6	-169.7	23	0	0	111.8	W568 G604 S750 A751 D752	W568-Q755 HydrophobicContact CZ2-CG 4.06Å; G604-Q755 WeakPolarHBondContact O-CA 3.26Å; S750-Q755 PolarHBondContact O-NE2 2.82Å; S750-Q755 WeakPolarHBondContact OG-CG 3.31Å; S750-Q755 PolarHBondContact OG-NE2 3.23Å; A751-Q755 PolarHBondContact O-N 2.89Å; D752-Q755 PolarHBondContact O-N 2.91Å
756	V	91.7	Very high	91.2	Very high	39 Å²	39	44.4 Å²	44.4	24%	0.236	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124	177.7	-175.8	0	0	0	0	109	K603 G604 K606 A714	K603-V756 CarbonylContact C-O 3.54Å; K603-V756 WeakPolarHBondContact CA-O 3.25Å; G604-V756 PolarHBondContact N-O 2.86Å; G604-V756 PolarHBondContact O-N 2.93Å; K606-V756 HydrophobicContact CB-CG2 4.05Å; K606-V756 HydrophobicContact CD-CG2 3.68Å; K606-V756 HydrophobicContact CG-CG2 3.8Å; A714-V756 HydrophobicContact CB-CB 3.8Å; A714-V756 HydrophobicContact CB-CG1 3.83Å; A714-V756 HydrophobicContact CB-CG2 3.73Å
757	S	88.9	Confident	90.9	Very high	68 Å²	68	49.1 Å²	49.1	48%	0.476	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.5	175.8	-52.5	0	0	0	0	110.8	R759	S757-R759 PolarHBondContact O-N 3.35Å
758	N	91.1	Very high	90.7	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.059	29%	0.289	C	S	.	.			trans	-60.2	132.4	172.7	-173.7	-29.8	0	0	0	110.5	D574 A601 N602 N630 L716 N760	D574-N758 PolarHBondContact OD2-ND2 2.86Å; D574-N758 PolarHBondContact OD2-OD1 3.13Å; A601-N758 PolarHBondContact O-ND2 2.95Å; N602-N758 WeakPolarHBondContact O-CB 3.36Å; N602-N758 PolarHBondContact O-N 3.15Å; N630-N758 PolarHBondContact ND2-OD1 2.84Å; L716-N758 HydrophobicContact CD2-CB 3.67Å; N758-N760 PolarHBondContact O-N 2.96Å; N758-N760 PolarHBondContact OD1-N 3.46Å
759	R	88	Confident	90.7	Very high	117 Å²	117	53.6 Å²	53.6	44%	0.442	28%	0.283	S	S	.	.	S	Bend	trans	-68.4	-13.8	178.8	-61.4	-172.2	-123.5	154.9	0.1	114.2	N630 D631 S757 P761	N630-R759 HydrophobicContact CB-CB 4.33Å; N630-R759 HydrophobicContact CB-CG 4.18Å; N630-R759 PolarHBondContact ND2-N 2.83Å; N630-R759 PolarHBondContact OD1-N 3.16Å; D631-R759 VanDerWaalsContact CG-NH1 3.26Å; D631-R759 IonicContact OD1-CZ 3.47Å; D631-R759 IonicContact OD1-NH1 2.65Å; D631-R759 PolarHBondContact OD1-NH1 3.24Å; D631-R759 IonicContact OD1-NH2 3.84Å; D631-R759 IonicContact OD2-CZ 2.7Å; D631-R759 VanDerWaalsContact OD2-CZ 3.3Å; D631-R759 IonicContact OD2-NH1 3.44Å; D631-R759 PolarHBondContact OD2-NH1 2.9Å; D631-R759 IonicContact OD2-NH2 2.97Å; D631-R759 PolarHBondContact OD2-NH2 2.88Å; S757-R759 PolarHBondContact O-N 3.35Å; R759-P761 WeakPolarHBondContact O-CD 3.35Å
760	N	85.5	Confident	90.6	Very high	59 Å²	59	48.5 Å²	48.5	32%	0.316	26%	0.263	S	S	.	.			trans	-110.2	72.1	176.6	-66.3	-22	0	0	0	110.8	A573 D574 N758 G762	A573-N760 WeakPolarHBondContact CB-O 3.43Å; D574-N760 HydrophobicContact CB-CB 3.98Å; D574-N760 PolarHBondContact OD1-ND2 2.96Å; N758-N760 PolarHBondContact O-N 2.96Å; N758-N760 PolarHBondContact OD1-N 3.46Å; N760-G762 PolarHBondContact O-N 3.35Å
761	P	80.6	Confident	90.6	Very high	53 Å²	53	49.7 Å²	49.7	34%	0.344	27%	0.27	S	S	.	.			trans	-75.7	-5.5	-179.6	33	-38	0	0	0	113.5	R759 R764	R759-P761 WeakPolarHBondContact O-CD 3.35Å; P761-R764 HydrophobicContact CB-CG 4.31Å; P761-R764 WeakPolarHBondContact O-CG 3.3Å; P761-R764 VanDerWaalsContact O-CZ 3.24Å; P761-R764 PolarHBondContact O-NE 2.84Å
762	G	87.9	Confident	90.4	Very high	19 Å²	19	54.9 Å²	54.9	20%	0.196	29%	0.289	C	S	.	.			trans	75.9	-154.2	-173.5	0	0	0	0	0	113	A573 N760 N797	A573-G762 VanDerWaalsContact CB-N 3.33Å; N760-G762 PolarHBondContact O-N 3.35Å; G762-N797 PolarHBondContact O-ND2 2.99Å; G762-N797 PolarHBondContact O-OD1 3.19Å
763	W	92.3	Very high	90.6	Very high	18 Å²	18	50.1 Å²	50.1	7%	0.068	27%	0.265	C	S	.	.	S	Bend	trans	-82.1	118.1	176.6	-79.8	68.4	0	0	0	110.2	H798 I800 P917 F930 V946 C947 T954	W763-H798 HydrophobicContact CD2-CB 3.76Å; W763-H798 HydrophobicContact CE3-CB 3.87Å; W763-H798 HydrophobicContact CG-CB 4.47Å; W763-H798 HydrophobicContact CH2-CB 3.74Å; W763-H798 HydrophobicContact CZ2-CB 3.62Å; W763-H798 HydrophobicContact CZ3-CB 3.85Å; W763-H798 WeakPolarHBondContact CZ3-O 3.44Å; W763-I800 HydrophobicContact CH2-CD1 3.69Å; W763-I800 HydrophobicContact CH2-CG1 4.16Å; W763-I800 HydrophobicContact CZ2-CD1 4.09Å; W763-P917 HydrophobicContact CZ3-CG 4.12Å; W763-F930 HydrophobicContact CB-CB 3.71Å; W763-F930 HydrophobicContact CB-CD1 4.46Å; W763-F930 HydrophobicContact CB-CD2 4.04Å; W763-F930 HydrophobicContact CB-CG 3.82Å; W763-F930 HydrophobicContact CE3-CD1 4.33Å; W763-F930 WeakPolarHBondContact O-CD2 3.4Å; W763-V946 HydrophobicContact CD2-CB 4.36Å; W763-V946 HydrophobicContact CD2-CG2 4.2Å; W763-V946 HydrophobicContact CE3-CB 4Å; W763-V946 HydrophobicContact CE3-CG2 3.77Å; W763-V946 HydrophobicContact CH2-CB 3.97Å; W763-V946 HydrophobicContact CZ2-CB 4.3Å; W763-V946 WeakPolarHBondContact CZ2-O 3.04Å; W763-V946 HydrophobicContact CZ3-CB 3.81Å; W763-V946 HydrophobicContact CZ3-CG1 4.49Å; W763-V946 HydrophobicContact CZ3-CG2 4.02Å; W763-V946 PolarHBondContact NE1-O 2.58Å; W763-C947 HydrophobicContact CB-CB 4.38Å; W763-C947 VanDerWaalsContact CD1-CA 3.47Å; W763-C947 HydrophobicContact CG-CB 4.2Å; W763-T954 HydrophobicContact CZ2-CG2 3.76Å
764	R	92.6	Very high	90.8	Very high	23 Å²	23	44.8 Å²	44.8	9%	0.087	24%	0.237	C	C	.	.			trans	-146.4	160.5	-173.6	-63.4	-57.6	-176.7	-106.5	7.1	111.3	P761 D779 S796 N797 D932	P761-R764 HydrophobicContact CB-CG 4.31Å; P761-R764 WeakPolarHBondContact O-CG 3.3Å; P761-R764 VanDerWaalsContact O-CZ 3.24Å; P761-R764 PolarHBondContact O-NE 2.84Å; R764-D779 WeakPolarHBondContact CD-O 3.43Å; R764-D779 PolarHBondContact NE-O 3.07Å; R764-S796 CarbonylContact O-C 3.49Å; R764-S796 VanDerWaalsContact O-CA 3.28Å; R764-S796 WeakPolarHBondContact O-CA 3.5Å; R764-N797 PolarHBondContact N-OD1 3.32Å; R764-N797 PolarHBondContact O-N 3.44Å; R764-N797 PolarHBondContact O-OD1 2.73Å; R764-N797 VanDerWaalsContact O-OD1 3.13Å; R764-D932 IonicContact CZ-OD2 3.77Å; R764-D932 IonicContact NH1-OD1 3.49Å; R764-D932 IonicContact NH1-OD2 3.71Å; R764-D932 PolarHBondContact NH1-OD2 3.28Å; R764-D932 IonicContact NH2-OD2 3.62Å; R764-D932 PolarHBondContact NH2-OD2 2.95Å
765	M	95.8	Very high	90.8	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.039	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.5	165.9	-64.5	-52.4	-67.4	0	0	110.4	V776 G780 V783 C794 V919 L928 F930	M765-V776 HydrophobicContact CB-CG1 3.76Å; M765-G780 PolarHBondContact N-O 2.96Å; M765-V783 HydrophobicContact CB-CG1 3.79Å; M765-V783 HydrophobicContact CE-CG1 4.42Å; M765-V783 HydrophobicContact CG-CG1 3.81Å; M765-C794 HydrophobicContact CE-CB 3.57Å; M765-C794 VanDerWaalsContact CE-O 3.25Å; M765-C794 WeakPolarHBondContact CE-O 3.47Å; M765-C794 VanDerWaalsContact CE-SG 3.59Å; M765-V919 HydrophobicContact CE-CG2 3.63Å; M765-L928 HydrophobicContact CG-CD1 3.69Å; M765-L928 HydrophobicContact CG-CD2 4.21Å; M765-L928 HydrophobicContact CG-CG 4.47Å; M765-L928 HydrophobicContact SD-CD1 4.04Å; M765-L928 HydrophobicContact SD-CD2 3.48Å; M765-L928 WeakPolarHBondContact SD-CD2 3.36Å; M765-L928 HydrophobicContact SD-CG 4.35Å; M765-F930 HydrophobicContact CG-CZ 4.43Å; M765-F930 HydrophobicContact SD-CZ 3.82Å
766	N	93.5	Very high	90.7	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	103.7	-174.8	-174.8	7.7	0	0	0	110.7	Y768 D769 C794 R795 N797 R959	N766-Y768 PolarHBondContact O-N 2.84Å; N766-Y768 WeakPolarHBondContact OD1-CB 2.92Å; N766-Y768 WeakPolarHBondContact OD1-CD2 3.04Å; N766-Y768 PolarHBondContact OD1-N 3.19Å; N766-D769 HydrophobicContact CB-CB 4.03Å; N766-D769 WeakPolarHBondContact ND2-CB 3.1Å; N766-D769 CarbonylContact O-C 3.54Å; N766-D769 PolarHBondContact O-N 2.88Å; N766-C794 PolarHBondContact O-SG 2.97Å; N766-C794 VanDerWaalsContact O-SG 3.4Å; N766-R795 VanDerWaalsContact CB-O 3.31Å; N766-R795 WeakPolarHBondContact CB-O 3.09Å; N766-R795 PolarHBondContact N-O 2.72Å; N766-N797 HydrophobicContact CB-CB 4.13Å; N766-R959 PolarHBondContact ND2-O 2.91Å
767	Q	91	Very high	90.7	Very high	112 Å²	112	45 Å²	45	52%	0.523	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	-21.1	174.8	67.9	-178.5	-13.8	0	0	114.4	V776	Q767-V776 HydrophobicContact CB-CB 4.1Å; Q767-V776 HydrophobicContact CB-CG2 3.93Å
768	Y	91.2	Very high	90.5	Very high	108 Å²	108	44.3 Å²	44.3	42%	0.424	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-5	178	-52.4	-71.4	0	0	0	113.5	N766 G961	N766-Y768 PolarHBondContact O-N 2.84Å; N766-Y768 WeakPolarHBondContact OD1-CB 2.92Å; N766-Y768 WeakPolarHBondContact OD1-CD2 3.04Å; N766-Y768 PolarHBondContact OD1-N 3.19Å; Y768-G961 VanDerWaalsContact CG-CA 3.49Å; Y768-G961 VanDerWaalsContact CZ-CA 3.46Å
769	D	94.2	Very high	90.1	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	50.5	175	-156.6	12.6	0	0	0	109.8	N766 C794 R795 R959	N766-D769 HydrophobicContact CB-CB 4.03Å; N766-D769 WeakPolarHBondContact ND2-CB 3.1Å; N766-D769 CarbonylContact O-C 3.54Å; N766-D769 PolarHBondContact O-N 2.88Å; D769-C794 WeakPolarHBondContact O-CA 3.15Å; D769-R795 HydrophobicContact CB-CB 4.47Å; D769-R795 PolarHBondContact O-N 2.93Å; D769-R795 IonicContact OD1-CZ 3.89Å; D769-R795 IonicContact OD1-NE 3.65Å; D769-R795 PolarHBondContact OD1-NE 3.01Å; D769-R795 IonicContact OD1-NH2 3.21Å; D769-R795 PolarHBondContact OD1-NH2 2.88Å; D769-R795 IonicContact OD2-CZ 3.32Å; D769-R795 IonicContact OD2-NE 2.89Å; D769-R795 PolarHBondContact OD2-NE 2.9Å; D769-R795 IonicContact OD2-NH2 3.09Å; D769-R795 PolarHBondContact OD2-NH2 2.89Å; D769-R959 HydrophobicContact CB-CB 3.9Å; D769-R959 HydrophobicContact CB-CG 4.09Å; D769-R959 IonicContact OD1-NE 2.79Å
770	A	94	Very high	90.2	Very high	22 Å²	22	39.8 Å²	39.8	18%	0.182	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157	-178.2	0	0	0	0	0	110.6	L774 G793 C794	A770-L774 HydrophobicContact CB-CD2 4.11Å; A770-G793 CarbonylContact C-O 3.59Å; A770-G793 VanDerWaalsContact CA-O 3.32Å; A770-G793 WeakPolarHBondContact CA-O 3.27Å; A770-C794 HydrophobicContact CB-CB 4.18Å
771	T	92.7	Very high	90.4	Very high	31 Å²	31	37.5 Å²	37.5	19%	0.19	21%	0.205	C	C	.	.			trans	-75.8	156.9	169.3	55.5	0	0	0	0	111.1	A773 L774 Q792 G793 L830 I831	T771-A773 PolarHBondContact O-N 2.98Å; T771-A773 VanDerWaalsContact O-N 3.1Å; T771-L774 PolarHBondContact O-N 2.83Å; T771-Q792 VanDerWaalsContact OG1-CA 3.24Å; T771-Q792 WeakPolarHBondContact OG1-CA 3.49Å; T771-Q792 VanDerWaalsContact OG1-CB 3.32Å; T771-Q792 WeakPolarHBondContact OG1-CB 3.17Å; T771-Q792 PolarHBondContact OG1-OE1 2.79Å; T771-G793 PolarHBondContact N-O 2.95Å; T771-G793 PolarHBondContact OG1-N 3.47Å; T771-G793 PolarHBondContact OG1-O 3.28Å; T771-L830 HydrophobicContact CG2-CB 3.94Å; T771-L830 HydrophobicContact CG2-CD1 3.79Å; T771-I831 HydrophobicContact CG2-CD1 4.39Å
772	N	88.1	Confident	91	Very high	171 Å²	171	36.9 Å²	36.9	91%	0.914	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.2	-167.9	-65.7	-5.5	0	0	0	115.6
773	A	89.7	Confident	91.4	Very high	10 Å²	10	36 Å²	36	8%	0.083	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	35.1	-177.9	0	0	0	0	0	111.5	T771 H786 Q789 Q792	T771-A773 PolarHBondContact O-N 2.98Å; T771-A773 VanDerWaalsContact O-N 3.1Å; A773-H786 HydrophobicContact CB-CB 4.03Å; A773-H786 PolarHBondContact O-N 2.87Å; A773-Q789 HydrophobicContact CB-CB 3.65Å; A773-Q789 HydrophobicContact CB-CG 3.76Å; A773-Q792 HydrophobicContact CB-CG 4.18Å
774	L	92.4	Very high	91.4	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.5	174.4	-170.7	143.8	0	0	0	109.8	A770 T771 V776 V783 Q784 Q792 C794 L921	A770-L774 HydrophobicContact CB-CD2 4.11Å; T771-L774 PolarHBondContact O-N 2.83Å; L774-V776 HydrophobicContact CD2-CG2 3.86Å; L774-V783 HydrophobicContact CD2-CB 4Å; L774-V783 HydrophobicContact CD2-CG1 3.94Å; L774-Q784 CarbonylContact C-O 3.49Å; L774-Q784 VanDerWaalsContact CA-O 3.29Å; L774-Q784 WeakPolarHBondContact CA-O 3.29Å; L774-Q792 HydrophobicContact CB-CB 4.06Å; L774-Q792 HydrophobicContact CD1-CB 4.01Å; L774-C794 HydrophobicContact CD1-CB 4.11Å; L774-C794 HydrophobicContact CD2-CB 3.69Å; L774-L921 HydrophobicContact CD1-CD1 4.47Å
775	D	91.7	Very high	91.4	Very high	64 Å²	64	34.6 Å²	34.6	34%	0.342	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.9	174.5	-59	-37.4	0	0	0	109.7	F563 V783 Q784 H786	F563-D775 HydrophobicContact CE2-CB 3.81Å; D775-V783 CarbonylContact O-C 3.24Å; D775-V783 VanDerWaalsContact O-CA 3.31Å; D775-V783 WeakPolarHBondContact O-CA 3.39Å; D775-Q784 HydrophobicContact CB-CB 4.39Å; D775-Q784 PolarHBondContact N-O 3.03Å; D775-Q784 PolarHBondContact O-N 3.46Å; D775-H786 IonicContact OD1-CE1 3.31Å; D775-H786 IonicContact OD1-NE2 3.99Å; D775-H786 PolarHBondContact OD1-NE2 3.3Å; D775-H786 VanDerWaalsContact OD1-NE2 3.11Å; D775-H786 IonicContact OD2-CD2 3.15Å; D775-H786 PolarHBondContact OD2-CD2 2.7Å; D775-H786 VanDerWaalsContact OD2-CD2 3.28Å; D775-H786 IonicContact OD2-CE1 3.24Å; D775-H786 IonicContact OD2-NE2 2.6Å; D775-H786 PolarHBondContact OD2-NE2 2.8Å
776	V	92.6	Very high	90.8	Very high	12 Å²	12	37.4 Å²	37.4	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.5	173.7	-172.8	0	0	0	0	107.6	M765 Q767 L774 V783	M765-V776 HydrophobicContact CB-CG1 3.76Å; Q767-V776 HydrophobicContact CB-CB 4.1Å; Q767-V776 HydrophobicContact CB-CG2 3.93Å; L774-V776 HydrophobicContact CD2-CG2 3.86Å; V776-V783 HydrophobicContact CB-CG1 4.29Å; V776-V783 HydrophobicContact CG1-CG1 4.05Å; V776-V783 HydrophobicContact CG2-CG1 3.94Å
777	A	90.9	Very high	89.9	Confident	7 Å²	7	39 Å²	39	6%	0.058	20%	0.203	C	C	.	.			trans	-58.6	153.3	176.6	0	0	0	0	0	111.1	F563 D779 G780 Q782	F563-A777 HydrophobicContact CB-CB 4.41Å; F563-A777 HydrophobicContact CD1-CB 3.75Å; F563-A777 HydrophobicContact CD2-CB 4.27Å; F563-A777 HydrophobicContact CE1-CB 3.93Å; F563-A777 HydrophobicContact CE2-CB 4.37Å; F563-A777 HydrophobicContact CG-CB 3.91Å; F563-A777 HydrophobicContact CZ-CB 4.19Å; A777-D779 PolarHBondContact O-N 3.07Å; A777-G780 WeakPolarHBondContact O-CA 3.32Å; A777-G780 PolarHBondContact O-N 3.2Å; A777-Q782 HydrophobicContact CB-CB 3.87Å; A777-Q782 PolarHBondContact N-O 2.78Å
778	P	83.5	Confident	89	Confident	52 Å²	52	36.7 Å²	36.7	34%	0.338	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.7	-171.5	-17.9	29.9	0	0	0	112.7	E566 G780 Y971	E566-P778 HydrophobicContact CB-CB 4.11Å; P778-G780 PolarHBondContact O-N 3.39Å; P778-Y971 HydrophobicContact CB-CE2 4.42Å; P778-Y971 VanDerWaalsContact CD-OH 3.31Å; P778-Y971 WeakPolarHBondContact CD-OH 3.25Å; P778-Y971 HydrophobicContact CG-CD1 4.49Å; P778-Y971 HydrophobicContact CG-CD2 4.22Å; P778-Y971 HydrophobicContact CG-CE1 3.98Å; P778-Y971 HydrophobicContact CG-CE2 3.69Å
779	D	83.6	Confident	88.3	Confident	28 Å²	28	37 Å²	37	15%	0.15	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.5	177.3	83.8	-18.6	0	0	0	113.3	E566 R569 R764 A777 S781	E566-D779 HydrophobicContact CB-CB 4.5Å; E566-D779 HydrophobicContact CG-CB 4Å; R569-D779 IonicContact NH2-OD2 2.77Å; R569-D779 PolarHBondContact NH2-OD2 2.96Å; R764-D779 WeakPolarHBondContact CD-O 3.43Å; R764-D779 PolarHBondContact NE-O 3.07Å; A777-D779 PolarHBondContact O-N 3.07Å; D779-S781 VanDerWaalsContact C-N 3.33Å; D779-S781 VanDerWaalsContact CG-OG 3.24Å; D779-S781 PolarHBondContact O-N 3.32Å; D779-S781 VanDerWaalsContact OD1-CB 3.28Å; D779-S781 WeakPolarHBondContact OD1-CB 3.3Å; D779-S781 PolarHBondContact OD1-N 3.42Å; D779-S781 PolarHBondContact OD1-OG 3.11Å; D779-S781 PolarHBondContact OD2-OG 3.42Å
780	G	89.9	Confident	87.6	Confident	5 Å²	5	37.5 Å²	37.5	5%	0.052	21%	0.206	C	C	.	.	S	Bend	trans	75.3	11	177.9	0	0	0	0	0	115.9	M765 A777 P778	M765-G780 PolarHBondContact N-O 2.96Å; A777-G780 WeakPolarHBondContact O-CA 3.32Å; A777-G780 PolarHBondContact O-N 3.2Å; P778-G780 PolarHBondContact O-N 3.39Å
781	S	89.9	Confident	87.4	Confident	11 Å²	11	38.4 Å²	38.4	8%	0.077	20%	0.204	C	C	.	.	S	Bend	trans	-87.2	-23.9	-179.1	67.9	0	0	0	0	113.8	D779 E927 L928	D779-S781 VanDerWaalsContact C-N 3.33Å; D779-S781 VanDerWaalsContact CG-OG 3.24Å; D779-S781 PolarHBondContact O-N 3.32Å; D779-S781 VanDerWaalsContact OD1-CB 3.28Å; D779-S781 WeakPolarHBondContact OD1-CB 3.3Å; D779-S781 PolarHBondContact OD1-N 3.42Å; D779-S781 PolarHBondContact OD1-OG 3.11Å; D779-S781 PolarHBondContact OD2-OG 3.42Å; S781-E927 CarbonylContact O-C 3.54Å; S781-E927 WeakPolarHBondContact O-CA 3.47Å; S781-L928 PolarHBondContact O-N 2.8Å
782	Q	94.1	Very high	87.4	Confident	41 Å²	41	38 Å²	38	19%	0.192	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.8	-178.6	-57.5	178.8	6.9	0	0	112.3	F563 A777 I813 V926 E927	F563-Q782 HydrophobicContact CD1-CB 4.38Å; F563-Q782 HydrophobicContact CE1-CB 3.7Å; F563-Q782 HydrophobicContact CZ-CB 4.37Å; A777-Q782 HydrophobicContact CB-CB 3.87Å; A777-Q782 PolarHBondContact N-O 2.78Å; Q782-I813 VanDerWaalsContact CD-CD1 3.47Å; Q782-I813 HydrophobicContact CG-CD1 3.95Å; Q782-V926 VanDerWaalsContact CA-O 3.25Å; Q782-V926 WeakPolarHBondContact CA-O 3.39Å; Q782-E927 HydrophobicContact CG-CB 4Å; Q782-E927 HydrophobicContact CG-CG 4.04Å
783	V	95	Very high	87.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.1	174.9	-72.6	0	0	0	0	111.6	M765 L774 D775 V776 C794 V919 L921 T925 V926 L928	M765-V783 HydrophobicContact CB-CG1 3.79Å; M765-V783 HydrophobicContact CE-CG1 4.42Å; M765-V783 HydrophobicContact CG-CG1 3.81Å; L774-V783 HydrophobicContact CD2-CB 4Å; L774-V783 HydrophobicContact CD2-CG1 3.94Å; D775-V783 CarbonylContact O-C 3.24Å; D775-V783 VanDerWaalsContact O-CA 3.31Å; D775-V783 WeakPolarHBondContact O-CA 3.39Å; V776-V783 HydrophobicContact CB-CG1 4.29Å; V776-V783 HydrophobicContact CG1-CG1 4.05Å; V776-V783 HydrophobicContact CG2-CG1 3.94Å; V783-C794 HydrophobicContact CG1-CB 4.44Å; V783-V919 HydrophobicContact CG2-CG2 3.72Å; V783-L921 HydrophobicContact CB-CD1 4.3Å; V783-L921 HydrophobicContact CG2-CD1 3.76Å; V783-L921 WeakPolarHBondContact O-CD1 3.4Å; V783-T925 WeakPolarHBondContact O-CA 3.19Å; V783-V926 HydrophobicContact CG2-CG2 3.44Å; V783-V926 VanDerWaalsContact CG2-CG2 3.44Å; V783-V926 PolarHBondContact N-O 3.31Å; V783-V926 PolarHBondContact O-N 3.09Å; V783-V926 VanDerWaalsContact O-N 3.07Å; V783-L928 HydrophobicContact CG2-CD1 4.04Å
784	Q	93.5	Very high	88.2	Confident	12 Å²	12	29.3 Å²	29.3	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.5	-177.5	-118	-165.3	20.6	0	0	111.5	R560 I561 F563 L774 D775 T925	R560-Q784 VanDerWaalsContact NE-CD 3.27Å; I561-Q784 PolarHBondContact O-NE2 2.85Å; F563-Q784 HydrophobicContact CE1-CG 4.47Å; F563-Q784 HydrophobicContact CE2-CB 4.03Å; F563-Q784 HydrophobicContact CZ-CB 3.63Å; F563-Q784 HydrophobicContact CZ-CG 4.04Å; L774-Q784 CarbonylContact C-O 3.49Å; L774-Q784 VanDerWaalsContact CA-O 3.29Å; L774-Q784 WeakPolarHBondContact CA-O 3.29Å; D775-Q784 HydrophobicContact CB-CB 4.39Å; D775-Q784 PolarHBondContact N-O 3.03Å; D775-Q784 PolarHBondContact O-N 3.46Å; Q784-T925 HydrophobicContact CG-CG2 3.76Å; Q784-T925 WeakPolarHBondContact CG-OG1 3.26Å; Q784-T925 PolarHBondContact NE2-OG1 2.9Å
785	S	91.7	Very high	88.4	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	170.9	49.8	0	0	0	0	111.5	R560 L921 N923 S924	R560-S785 PolarHBondContact NH1-O 3.23Å; R560-S785 PolarHBondContact NH2-O 3.07Å; S785-L921 WeakPolarHBondContact OG-CB 3.14Å; S785-N923 PolarHBondContact OG-N 2.92Å; S785-S924 PolarHBondContact N-O 2.77Å; S785-S924 PolarHBondContact OG-N 2.96Å; S785-S924 PolarHBondContact OG-O 2.83Å
786	H	83	Confident	88.6	Confident	66 Å²	66	26 Å²	26	31%	0.306	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-58.7	148	177.1	-64.6	-176.5	0	0	0	111.4	A773 D775 N788 Q789	A773-H786 HydrophobicContact CB-CB 4.03Å; A773-H786 PolarHBondContact O-N 2.87Å; D775-H786 IonicContact OD1-CE1 3.31Å; D775-H786 IonicContact OD1-NE2 3.99Å; D775-H786 PolarHBondContact OD1-NE2 3.3Å; D775-H786 VanDerWaalsContact OD1-NE2 3.11Å; D775-H786 IonicContact OD2-CD2 3.15Å; D775-H786 PolarHBondContact OD2-CD2 2.7Å; D775-H786 VanDerWaalsContact OD2-CD2 3.28Å; D775-H786 IonicContact OD2-CE1 3.24Å; D775-H786 IonicContact OD2-NE2 2.6Å; D775-H786 PolarHBondContact OD2-NE2 2.8Å; H786-N788 PolarHBondContact O-N 2.94Å; H786-Q789 HydrophobicContact CB-CB 4.39Å; H786-Q789 HydrophobicContact CB-CG 3.86Å
787	F	76.1	Confident	88.7	Confident	49 Å²	49	26.4 Å²	26.4	22%	0.215	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	138	177.3	-81	-57.2	0	0	0	111.7	I558 R560 Q789 N923	I558-F787 HydrophobicContact CG2-CZ 4.26Å; R560-F787 HydrophobicContact CG-CD2 3.84Å; R560-F787 HydrophobicContact CG-CE2 3.32Å; R560-F787 HydrophobicContact CG-CZ 4.05Å; F787-Q789 PolarHBondContact O-N 2.77Å; F787-Q789 VanDerWaalsContact O-N 3.14Å; F787-N923 WeakPolarHBondContact CA-OD1 3.49Å; F787-N923 HydrophobicContact CD1-CB 3.8Å; F787-N923 HydrophobicContact CE1-CB 4.02Å
788	N	70.7	Confident	88.9	Confident	65 Å²	65	27.2 Å²	27.2	35%	0.348	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	21.5	169.7	-56.1	-28.8	0	0	0	115.2	P504 H786 N923	P504-N788 WeakPolarHBondContact CD-ND2 3.34Å; P504-N788 WeakPolarHBondContact CD-OD1 3.42Å; P504-N788 WeakPolarHBondContact CG-OD1 3.48Å; H786-N788 PolarHBondContact O-N 2.94Å; N788-N923 PolarHBondContact N-OD1 2.91Å
789	Q	76.5	Confident	89.5	Confident	115 Å²	115	24.8 Å²	24.8	54%	0.537	12%	0.123	S	C	.	.	S	Bend	trans	-98.5	13.1	176.1	-65.5	-68	-14	0	0	113.2	A773 H786 F787 Q792	A773-Q789 HydrophobicContact CB-CB 3.65Å; A773-Q789 HydrophobicContact CB-CG 3.76Å; H786-Q789 HydrophobicContact CB-CB 4.39Å; H786-Q789 HydrophobicContact CB-CG 3.86Å; F787-Q789 PolarHBondContact O-N 2.77Å; F787-Q789 VanDerWaalsContact O-N 3.14Å; Q789-Q792 PolarHBondContact O-NE2 2.81Å
790	G	79.3	Confident	90.1	Very high	14 Å²	14	23.4 Å²	23.4	14%	0.144	12%	0.116	C	C	.	.			trans	72.1	-165.6	-175.7	0	0	0	0	0	112.7	Q792 L922	G790-Q792 PolarHBondContact O-N 3.4Å; G790-L922 VanDerWaalsContact O-CD1 3.3Å; G790-L922 WeakPolarHBondContact O-CD1 2.77Å
791	W	90.4	Very high	90.2	Very high	41 Å²	41	27.3 Å²	27.3	16%	0.155	13%	0.129	C	C	.	.			trans	-67.2	132.7	177.1	-73	91.1	0	0	0	110.4	L818 R820 I831 N845 S920 L921 L922	W791-L818 HydrophobicContact CH2-CB 3.72Å; W791-L818 HydrophobicContact CZ2-CB 3.88Å; W791-L818 HydrophobicContact CZ2-CD1 4.29Å; W791-R820 HydrophobicContact CH2-CG 3.85Å; W791-R820 HydrophobicContact CZ3-CB 4.37Å; W791-R820 HydrophobicContact CZ3-CG 3.76Å; W791-I831 HydrophobicContact CB-CD1 3.9Å; W791-I831 HydrophobicContact CB-CG1 4.34Å; W791-I831 HydrophobicContact CB-CG2 3.87Å; W791-I831 HydrophobicContact CG-CG2 4.3Å; W791-I831 VanDerWaalsContact O-CD1 3.28Å; W791-I831 WeakPolarHBondContact O-CD1 3.39Å; W791-N845 PolarHBondContact NE1-OD1 2.84Å; W791-S920 WeakPolarHBondContact CZ3-O 3.39Å; W791-L921 WeakPolarHBondContact CA-O 3.38Å; W791-L922 HydrophobicContact CD2-CB 4.14Å; W791-L922 HydrophobicContact CE3-CB 4.29Å
792	Q	93.8	Very high	90.1	Very high	22 Å²	22	27.2 Å²	27.2	10%	0.103	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	179.1	-61.7	-61.3	-46.1	0	0	108.8	T771 A773 L774 Q789 G790 S920 L921	T771-Q792 VanDerWaalsContact OG1-CA 3.24Å; T771-Q792 WeakPolarHBondContact OG1-CA 3.49Å; T771-Q792 VanDerWaalsContact OG1-CB 3.32Å; T771-Q792 WeakPolarHBondContact OG1-CB 3.17Å; T771-Q792 PolarHBondContact OG1-OE1 2.79Å; A773-Q792 HydrophobicContact CB-CG 4.18Å; L774-Q792 HydrophobicContact CB-CB 4.06Å; L774-Q792 HydrophobicContact CD1-CB 4.01Å; Q789-Q792 PolarHBondContact O-NE2 2.81Å; G790-Q792 PolarHBondContact O-N 3.4Å; Q792-S920 CarbonylContact O-C 3.51Å; Q792-S920 WeakPolarHBondContact O-CA 3.48Å; Q792-L921 PolarHBondContact N-O 2.84Å; Q792-L921 PolarHBondContact O-N 2.95Å
793	G	95.6	Very high	89.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	-170.3	0	0	0	0	0	113.5	A770 T771 L830 V919	A770-G793 CarbonylContact C-O 3.59Å; A770-G793 VanDerWaalsContact CA-O 3.32Å; A770-G793 WeakPolarHBondContact CA-O 3.27Å; T771-G793 PolarHBondContact N-O 2.95Å; T771-G793 PolarHBondContact OG1-N 3.47Å; T771-G793 PolarHBondContact OG1-O 3.28Å; G793-L830 WeakPolarHBondContact CA-O 3.47Å; G793-V919 VanDerWaalsContact CA-O 3.28Å; G793-V919 WeakPolarHBondContact CA-O 2.94Å
794	C	97.2	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.8	178.5	-168.3	0	0	0	0	110.5	M765 N766 D769 A770 L774 V783 T918 V919	M765-C794 HydrophobicContact CE-CB 3.57Å; M765-C794 VanDerWaalsContact CE-O 3.25Å; M765-C794 WeakPolarHBondContact CE-O 3.47Å; M765-C794 VanDerWaalsContact CE-SG 3.59Å; N766-C794 PolarHBondContact O-SG 2.97Å; N766-C794 VanDerWaalsContact O-SG 3.4Å; D769-C794 WeakPolarHBondContact O-CA 3.15Å; A770-C794 HydrophobicContact CB-CB 4.18Å; L774-C794 HydrophobicContact CD1-CB 4.11Å; L774-C794 HydrophobicContact CD2-CB 3.69Å; V783-C794 HydrophobicContact CG1-CB 4.44Å; C794-T918 WeakPolarHBondContact O-CA 3.35Å; C794-V919 HydrophobicContact CB-CG2 4.41Å; C794-V919 PolarHBondContact N-O 2.62Å; C794-V919 PolarHBondContact O-N 2.79Å
795	R	97	Very high	89.9	Confident	7 Å²	7	35.5 Å²	35.5	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156	170.9	-71.6	-176.6	-62.9	-153.3	-5.2	111.4	N766 D769 S824 T825 D826 G828 L830 T918	N766-R795 VanDerWaalsContact CB-O 3.31Å; N766-R795 WeakPolarHBondContact CB-O 3.09Å; N766-R795 PolarHBondContact N-O 2.72Å; D769-R795 HydrophobicContact CB-CB 4.47Å; D769-R795 PolarHBondContact O-N 2.93Å; D769-R795 IonicContact OD1-CZ 3.89Å; D769-R795 IonicContact OD1-NE 3.65Å; D769-R795 PolarHBondContact OD1-NE 3.01Å; D769-R795 IonicContact OD1-NH2 3.21Å; D769-R795 PolarHBondContact OD1-NH2 2.88Å; D769-R795 IonicContact OD2-CZ 3.32Å; D769-R795 IonicContact OD2-NE 2.89Å; D769-R795 PolarHBondContact OD2-NE 2.9Å; D769-R795 IonicContact OD2-NH2 3.09Å; D769-R795 PolarHBondContact OD2-NH2 2.89Å; R795-S824 WeakPolarHBondContact CD-OG 3.18Å; R795-T825 PolarHBondContact NH1-O 3.49Å; R795-D826 VanDerWaalsContact CZ-O 3.32Å; R795-D826 PolarHBondContact NH1-O 2.8Å; R795-D826 PolarHBondContact NH2-O 2.87Å; R795-D826 VanDerWaalsContact NH2-O 3.14Å; R795-G828 PolarHBondContact NH1-O 2.97Å; R795-L830 HydrophobicContact CB-CD2 4.34Å; R795-L830 HydrophobicContact CG-CD2 3.64Å; R795-T918 HydrophobicContact CG-CG2 3.77Å; R795-T918 WeakPolarHBondContact CG-OG1 3.41Å
796	S	97	Very high	90.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	161.5	172	52.2	0	0	0	0	112.7	R764 H798 P917	R764-S796 CarbonylContact O-C 3.49Å; R764-S796 VanDerWaalsContact O-CA 3.28Å; R764-S796 WeakPolarHBondContact O-CA 3.5Å; S796-H798 VanDerWaalsContact C-N 3.3Å; S796-H798 PolarHBondContact O-N 3.44Å; S796-H798 PolarHBondContact OG-O 2.84Å; S796-P917 PolarHBondContact N-O 3.09Å; S796-P917 WeakPolarHBondContact OG-CB 3.23Å; S796-P917 WeakPolarHBondContact OG-CD 3.32Å; S796-P917 PolarHBondContact OG-O 2.86Å
797	N	94.3	Very high	90.9	Very high	20 Å²	20	32.6 Å²	32.6	11%	0.107	16%	0.159	C	C	.	.	S	Bend	trans	-76.7	-12.8	-178.6	67.3	-13.6	0	0	0	114.2	G762 R764 N766 S957	G762-N797 PolarHBondContact O-ND2 2.99Å; G762-N797 PolarHBondContact O-OD1 3.19Å; R764-N797 PolarHBondContact N-OD1 3.32Å; R764-N797 PolarHBondContact O-N 3.44Å; R764-N797 PolarHBondContact O-OD1 2.73Å; R764-N797 VanDerWaalsContact O-OD1 3.13Å; N766-N797 HydrophobicContact CB-CB 4.13Å; N797-S957 PolarHBondContact O-N 2.84Å
798	H	95	Very high	92	Very high	24 Å²	24	30.2 Å²	30.2	11%	0.111	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.8	176.6	-62.3	83	0	0	0	110.3	W763 S796 Y916 K955 R956	W763-H798 HydrophobicContact CD2-CB 3.76Å; W763-H798 HydrophobicContact CE3-CB 3.87Å; W763-H798 HydrophobicContact CG-CB 4.47Å; W763-H798 HydrophobicContact CH2-CB 3.74Å; W763-H798 HydrophobicContact CZ2-CB 3.62Å; W763-H798 HydrophobicContact CZ3-CB 3.85Å; W763-H798 WeakPolarHBondContact CZ3-O 3.44Å; S796-H798 VanDerWaalsContact C-N 3.3Å; S796-H798 PolarHBondContact O-N 3.44Å; S796-H798 PolarHBondContact OG-O 2.84Å; H798-Y916 VanDerWaalsContact C-CE1 3.41Å; H798-Y916 VanDerWaalsContact O-CD1 3.26Å; H798-Y916 WeakPolarHBondContact O-CD1 3.22Å; H798-K955 CarbonylContact C-O 3.5Å; H798-K955 WeakPolarHBondContact CA-O 3.14Å; H798-R956 PolarHBondContact NE2-NE 3.46Å
799	G	95.6	Very high	93.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.9	176.1	0	0	0	0	0	111.2	L915 Y916 T954 K955	G799-L915 CarbonylContact C-O 3.24Å; G799-L915 VanDerWaalsContact CA-O 3.24Å; G799-L915 WeakPolarHBondContact CA-O 3.36Å; G799-Y916 VanDerWaalsContact N-CD1 3.33Å; G799-T954 CarbonylContact O-C 3.52Å; G799-T954 VanDerWaalsContact O-CA 3.3Å; G799-T954 WeakPolarHBondContact O-CA 3.49Å; G799-K955 PolarHBondContact N-O 2.81Å; G799-K955 PolarHBondContact O-N 3Å
800	I	95.7	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.6	-179.4	-61.9	-59	0	0	0	110.1	W763 F806 W823 L880 T882 A914 L915 V946 A949	W763-I800 HydrophobicContact CH2-CD1 3.69Å; W763-I800 HydrophobicContact CH2-CG1 4.16Å; W763-I800 HydrophobicContact CZ2-CD1 4.09Å; I800-F806 HydrophobicContact CB-CD2 4.43Å; I800-F806 HydrophobicContact CD1-CD1 3.7Å; I800-F806 HydrophobicContact CD1-CD2 4.42Å; I800-F806 HydrophobicContact CD1-CE1 3.93Å; I800-F806 HydrophobicContact CD1-CG 3.96Å; I800-F806 HydrophobicContact CD1-CZ 4.36Å; I800-F806 HydrophobicContact CG1-CB 4.28Å; I800-F806 HydrophobicContact CG1-CD1 4.27Å; I800-F806 HydrophobicContact CG1-CD2 4.24Å; I800-F806 HydrophobicContact CG1-CG 3.99Å; I800-F806 HydrophobicContact CG2-CD2 3.44Å; I800-F806 VanDerWaalsContact CG2-CD2 3.44Å; I800-F806 HydrophobicContact CG2-CE1 4.48Å; I800-F806 HydrophobicContact CG2-CE2 3.33Å; I800-F806 HydrophobicContact CG2-CG 4.06Å; I800-F806 HydrophobicContact CG2-CZ 3.9Å; I800-W823 HydrophobicContact CG1-CZ3 4.3Å; I800-L880 HydrophobicContact CB-CD2 3.98Å; I800-L880 HydrophobicContact CG1-CD2 4.42Å; I800-L880 HydrophobicContact CG2-CD2 4.01Å; I800-T882 HydrophobicContact CG2-CG2 4.27Å; I800-A914 CarbonylContact O-C 3.53Å; I800-A914 WeakPolarHBondContact O-CA 3.41Å; I800-L915 PolarHBondContact N-O 2.87Å; I800-L915 PolarHBondContact O-N 2.84Å; I800-V946 HydrophobicContact CD1-CG1 4.39Å; I800-V946 HydrophobicContact CG1-CG1 4.32Å; I800-A949 HydrophobicContact CD1-CB 3.65Å
801	R	92.6	Very high	95.1	Very high	86 Å²	86	22.9 Å²	22.9	33%	0.325	11%	0.11	S	C	.	.			trans	-130	-1.2	177.6	71.4	161.6	-170.6	166.1	4.9	114.8	L912 A914 E952 C953 T954 K955	R801-L912 WeakPolarHBondContact CB-O 3.49Å; R801-L912 VanDerWaalsContact O-CB 3.27Å; R801-L912 WeakPolarHBondContact O-CB 3.43Å; R801-L912 PolarHBondContact O-N 2.86Å; R801-A914 HydrophobicContact CB-CB 4.03Å; R801-E952 PolarHBondContact NE-O 2.81Å; R801-E952 PolarHBondContact NH2-O 3.29Å; R801-E952 VanDerWaalsContact NH2-O 3.11Å; R801-C953 PolarHBondContact N-O 2.87Å; R801-T954 PolarHBondContact NE-O 3.09Å; R801-K955 HydrophobicContact CG-CB 4.4Å
802	G	88.9	Confident	95.2	Very high	10 Å²	10	20.9 Å²	20.9	10%	0.103	10%	0.103	C	C	.	.	S	Bend	trans	-109.4	170.4	-178.1	0	0	0	0	0	112.5	T882 C953	G802-T882 PolarHBondContact O-OG1 3.07Å; G802-T882 VanDerWaalsContact O-OG1 3.07Å; G802-C953 PolarHBondContact N-O 2.87Å
803	L	89.6	Confident	95.1	Very high	131 Å²	131	21.5 Å²	21.5	69%	0.686	11%	0.107	S	C	*	.	S	Bend	trans	-72	143.3	175.9	-65.8	175.4	0	0	0	111	T882	L803-T882 VanDerWaalsContact CA-OG1 3.25Å; L803-T882 WeakPolarHBondContact CA-OG1 3.35Å; L803-T882 WeakPolarHBondContact CD2-O 3.42Å
804	G	91.9	Very high	94.4	Very high	14 Å²	14	22.4 Å²	22.4	14%	0.144	11%	0.111	C	C	.	.	S	Bend	trans	146.7	176.2	-177.6	0	0	0	0	0	113.3	F806 T882	G804-F806 VanDerWaalsContact C-CE2 3.47Å; G804-T882 PolarHBondContact N-OG1 2.84Å; G804-T882 PolarHBondContact O-N 3.29Å; G804-T882 PolarHBondContact O-OG1 3.21Å
805	R	96.2	Very high	93.2	Very high	81 Å²	81	26.1 Å²	26.1	31%	0.306	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.2	174.2	-75.2	177.9	-179	158.9	4.2	108.5	L880 D881 D942 W943 T944	R805-L880 WeakPolarHBondContact CA-O 3.45Å; R805-D881 HydrophobicContact CG-CB 4.21Å; R805-D881 WeakPolarHBondContact CG-OD2 3.31Å; R805-D881 IonicContact CZ-OD2 3.53Å; R805-D881 IonicContact NE-OD2 3.47Å; R805-D881 PolarHBondContact NE-OD2 3.2Å; R805-D881 IonicContact NH2-OD2 3.49Å; R805-D942 WeakPolarHBondContact CB-O 3.39Å; R805-W943 HydrophobicContact CB-CD2 4.04Å; R805-W943 HydrophobicContact CB-CE3 3.64Å; R805-W943 HydrophobicContact CB-CH2 4.41Å; R805-W943 HydrophobicContact CB-CZ3 3.83Å; R805-W943 HydrophobicContact CG-CE3 4.4Å; R805-W943 HydrophobicContact CG-CH2 4.34Å; R805-W943 HydrophobicContact CG-CZ3 4.2Å; R805-T944 WeakPolarHBondContact O-CB 3.29Å; R805-T944 PolarHBondContact O-N 2.9Å
806	F	97.5	Very high	91.9	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.2	-171.8	-56.6	-82.6	0	0	0	112	I800 G804 L880 T882 T944 V946 A949 C953	I800-F806 HydrophobicContact CB-CD2 4.43Å; I800-F806 HydrophobicContact CD1-CD1 3.7Å; I800-F806 HydrophobicContact CD1-CD2 4.42Å; I800-F806 HydrophobicContact CD1-CE1 3.93Å; I800-F806 HydrophobicContact CD1-CG 3.96Å; I800-F806 HydrophobicContact CD1-CZ 4.36Å; I800-F806 HydrophobicContact CG1-CB 4.28Å; I800-F806 HydrophobicContact CG1-CD1 4.27Å; I800-F806 HydrophobicContact CG1-CD2 4.24Å; I800-F806 HydrophobicContact CG1-CG 3.99Å; I800-F806 HydrophobicContact CG2-CD2 3.44Å; I800-F806 VanDerWaalsContact CG2-CD2 3.44Å; I800-F806 HydrophobicContact CG2-CE1 4.48Å; I800-F806 HydrophobicContact CG2-CE2 3.33Å; I800-F806 HydrophobicContact CG2-CG 4.06Å; I800-F806 HydrophobicContact CG2-CZ 3.9Å; G804-F806 VanDerWaalsContact C-CE2 3.47Å; F806-L880 PolarHBondContact N-O 3.22Å; F806-L880 PolarHBondContact O-N 3.32Å; F806-T882 HydrophobicContact CD2-CG2 4.39Å; F806-T882 HydrophobicContact CE2-CG2 4.37Å; F806-T944 CarbonylContact C-O 3.56Å; F806-T944 VanDerWaalsContact CA-O 3.26Å; F806-T944 WeakPolarHBondContact CA-O 3.47Å; F806-V946 HydrophobicContact CB-CG1 4.01Å; F806-A949 HydrophobicContact CD1-CB 4.01Å; F806-A949 HydrophobicContact CE1-CB 3.61Å; F806-C953 HydrophobicContact CZ-CB 4.42Å
807	Y	98.3	Very high	91	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143.8	-173.1	-178.1	-100.8	0	0	0	112.8	E809 G877 C878 F879 F935 Y937 P939 T944 V946	Y807-E809 HydrophobicContact CE1-CG 3.55Å; Y807-E809 WeakPolarHBondContact OH-CG 3.43Å; Y807-E809 PolarHBondContact OH-OE1 3.45Å; Y807-G877 WeakPolarHBondContact OH-CA 3.48Å; Y807-C878 WeakPolarHBondContact CA-O 3.22Å; Y807-F879 AromaticContact CD2-CD1 3.88Å; Y807-F879 HydrophobicContact CD2-CD1 3.88Å; Y807-F879 HydrophobicContact CD2-CD2 4.23Å; Y807-F879 AromaticContact CD2-CE1 3.81Å; Y807-F879 HydrophobicContact CD2-CE1 3.81Å; Y807-F879 HydrophobicContact CD2-CE2 4.14Å; Y807-F879 HydrophobicContact CD2-CG 4.1Å; Y807-F879 AromaticContact CD2-CZ 3.94Å; Y807-F879 HydrophobicContact CD2-CZ 3.94Å; Y807-F879 HydrophobicContact CE2-CD1 4.34Å; Y807-F879 HydrophobicContact CE2-CD2 4.18Å; Y807-F879 AromaticContact CE2-CE1 3.91Å; Y807-F879 HydrophobicContact CE2-CE1 3.91Å; Y807-F879 AromaticContact CE2-CE2 3.7Å; Y807-F879 HydrophobicContact CE2-CE2 3.7Å; Y807-F879 HydrophobicContact CE2-CG 4.48Å; Y807-F879 AromaticContact CE2-CZ 3.56Å; Y807-F879 HydrophobicContact CE2-CZ 3.56Å; Y807-F935 HydrophobicContact CD1-CD1 4.49Å; Y807-F935 HydrophobicContact CD1-CD2 4.05Å; Y807-F935 HydrophobicContact CD1-CE1 4.24Å; Y807-F935 AromaticContact CD1-CE2 3.72Å; Y807-F935 HydrophobicContact CD1-CE2 3.72Å; Y807-F935 HydrophobicContact CD1-CG 4.4Å; Y807-F935 AromaticContact CD1-CZ 3.84Å; Y807-F935 HydrophobicContact CD1-CZ 3.84Å; Y807-F935 HydrophobicContact CE1-CD1 4.09Å; Y807-F935 HydrophobicContact CE1-CD2 4.09Å; Y807-F935 HydrophobicContact CE1-CE1 4.23Å; Y807-F935 HydrophobicContact CE1-CE2 4.17Å; Y807-F935 HydrophobicContact CE1-CG 4.02Å; Y807-F935 HydrophobicContact CE1-CZ 4.26Å; Y807-Y937 PolarHBondContact OH-O 3.04Å; Y807-Y937 VanDerWaalsContact OH-O 3.09Å; Y807-P939 HydrophobicContact CD1-CG 4.29Å; Y807-P939 HydrophobicContact CD2-CG 3.91Å; Y807-P939 HydrophobicContact CE1-CG 4.45Å; Y807-P939 HydrophobicContact CE2-CG 4.09Å; Y807-P939 HydrophobicContact CG-CG 4.01Å; Y807-T944 PolarHBondContact N-O 2.79Å; Y807-V946 PolarHBondContact O-N 2.65Å
808	F	98.3	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.9	166.7	76.1	-83.3	0	0	0	110.8	V810 V821 W823 C878 P917 L928 N929 F930 V946	F808-V810 HydrophobicContact CD2-CG2 3.85Å; F808-V810 HydrophobicContact CE2-CG2 3.4Å; F808-V810 VanDerWaalsContact CE2-CG2 3.4Å; F808-V810 HydrophobicContact CZ-CG2 4.48Å; F808-V821 HydrophobicContact CE2-CG2 4.06Å; F808-V821 HydrophobicContact CZ-CG2 3.98Å; F808-W823 AromaticContact CD1-CH2 3.66Å; F808-W823 HydrophobicContact CD1-CH2 3.66Å; F808-W823 AromaticContact CD1-CZ2 3.59Å; F808-W823 HydrophobicContact CD1-CZ2 3.59Å; F808-W823 HydrophobicContact CD1-CZ3 4.46Å; F808-W823 HydrophobicContact CE1-CD2 4.3Å; F808-W823 AromaticContact CE1-CE2 3.73Å; F808-W823 AromaticContact CE1-CH2 3.73Å; F808-W823 HydrophobicContact CE1-CH2 3.73Å; F808-W823 AromaticContact CE1-CZ2 3.44Å; F808-W823 HydrophobicContact CE1-CZ2 3.44Å; F808-W823 VanDerWaalsContact CE1-CZ2 3.44Å; F808-W823 HydrophobicContact CE1-CZ3 4.26Å; F808-C878 HydrophobicContact CD1-CB 3.61Å; F808-C878 HydrophobicContact CD2-CB 4.38Å; F808-C878 HydrophobicContact CE1-CB 3.26Å; F808-C878 HydrophobicContact CE2-CB 4.09Å; F808-C878 HydrophobicContact CG-CB 4.16Å; F808-C878 HydrophobicContact CZ-CB 3.52Å; F808-C878 PolarHBondContact N-O 3.25Å; F808-C878 PolarHBondContact O-N 3.14Å; F808-P917 HydrophobicContact CD1-CB 4.28Å; F808-P917 HydrophobicContact CD1-CG 4.09Å; F808-P917 HydrophobicContact CE1-CB 3.82Å; F808-P917 HydrophobicContact CE1-CG 3.96Å; F808-P917 HydrophobicContact CE2-CB 4.06Å; F808-P917 HydrophobicContact CZ-CB 3.71Å; F808-P917 HydrophobicContact CZ-CG 4.37Å; F808-L928 HydrophobicContact CE2-CD2 4.26Å; F808-N929 WeakPolarHBondContact CB-O 3.18Å; F808-F930 HydrophobicContact CB-CD1 4.28Å; F808-F930 HydrophobicContact CD2-CE1 4.43Å; F808-V946 HydrophobicContact CB-CG2 3.97Å
809	E	98.3	Very high	90.4	Very high	6 Å²	6	29 Å²	29	3%	0.028	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148	179.9	-72.6	-178.9	168.3	0	0	111.8	Y807 V875 I876 L928 N929 F935 K936 Y937	Y807-E809 HydrophobicContact CE1-CG 3.55Å; Y807-E809 WeakPolarHBondContact OH-CG 3.43Å; Y807-E809 PolarHBondContact OH-OE1 3.45Å; E809-V875 HydrophobicContact CB-CG1 3.94Å; E809-V875 HydrophobicContact CG-CG1 3.88Å; E809-I876 WeakPolarHBondContact CA-O 3.4Å; E809-L928 WeakPolarHBondContact O-CA 3.4Å; E809-N929 HydrophobicContact CB-CB 4.32Å; E809-N929 PolarHBondContact N-O 2.88Å; E809-N929 PolarHBondContact O-N 2.63Å; E809-F935 HydrophobicContact CB-CD1 4.06Å; E809-F935 HydrophobicContact CB-CE1 4.33Å; E809-F935 HydrophobicContact CG-CD1 3.68Å; E809-F935 HydrophobicContact CG-CE1 4.18Å; E809-F935 HydrophobicContact CG-CG 4.41Å; E809-F935 WeakPolarHBondContact OE2-CA 3.42Å; E809-K936 PolarHBondContact OE2-N 3.34Å; E809-Y937 VanDerWaalsContact OE1-C 3.26Å; E809-Y937 WeakPolarHBondContact OE1-CA 3.37Å; E809-Y937 PolarHBondContact OE1-N 2.77Å
810	V	97.9	Very high	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.1	171.8	-177.6	0	0	0	0	109.7	F808 V821 I876 V926 E927 L928	F808-V810 HydrophobicContact CD2-CG2 3.85Å; F808-V810 HydrophobicContact CE2-CG2 3.4Å; F808-V810 VanDerWaalsContact CE2-CG2 3.4Å; F808-V810 HydrophobicContact CZ-CG2 4.48Å; V810-V821 HydrophobicContact CB-CG2 4.3Å; V810-V821 HydrophobicContact CG2-CG2 3.63Å; V810-I876 PolarHBondContact N-O 2.8Å; V810-I876 PolarHBondContact O-N 2.92Å; V810-V926 HydrophobicContact CG1-CB 3.91Å; V810-V926 HydrophobicContact CG1-CG1 4.37Å; V810-V926 HydrophobicContact CG1-CG2 4.11Å; V810-E927 CarbonylContact C-O 3.32Å; V810-E927 WeakPolarHBondContact CA-O 3.24Å; V810-L928 HydrophobicContact CG1-CG 4.44Å; V810-L928 HydrophobicContact CG2-CD2 4Å; V810-L928 HydrophobicContact CG2-CG 3.95Å
811	T	96.9	Very high	90.5	Very high	33 Å²	33	29.3 Å²	29.3	20%	0.202	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.3	178.7	-56.9	0	0	0	0	110.1	V926 E927	T811-V926 CarbonylContact O-C 3.49Å; T811-V926 WeakPolarHBondContact O-CA 3.28Å; T811-E927 PolarHBondContact N-O 3.14Å; T811-E927 PolarHBondContact O-N 3.25Å
812	P	92.3	Very high	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	132.2	171.2	35.1	-34.9	0	0	0	110.4	W819 S871 D873 D874 V926	P812-W819 HydrophobicContact CB-CD2 4.23Å; P812-W819 HydrophobicContact CB-CE3 4.29Å; P812-W819 HydrophobicContact CB-CH2 3.41Å; P812-W819 VanDerWaalsContact CB-CH2 3.41Å; P812-W819 HydrophobicContact CB-CZ2 3.19Å; P812-W819 HydrophobicContact CB-CZ3 3.93Å; P812-W819 HydrophobicContact CG-CH2 3.09Å; P812-W819 HydrophobicContact CG-CZ2 3.13Å; P812-W819 HydrophobicContact CG-CZ3 3.96Å; P812-S871 WeakPolarHBondContact CG-O 3.28Å; P812-D873 PolarHBondContact O-N 2.78Å; P812-D874 WeakPolarHBondContact CD-O 3.49Å; P812-V926 HydrophobicContact CB-CG1 4.46Å
813	I	90.5	Very high	91.1	Very high	35 Å²	35	24.7 Å²	24.7	18%	0.179	14%	0.142	C	C	.	.			trans	-96.4	-29.5	-178	-43.7	-175.6	0	0	0	110.6	I561 Q782 K872 T925 E927	I561-I813 HydrophobicContact CD1-CB 4.09Å; I561-I813 HydrophobicContact CD1-CG2 3.5Å; I561-I813 VanDerWaalsContact CD1-CG2 3.5Å; Q782-I813 VanDerWaalsContact CD-CD1 3.47Å; Q782-I813 HydrophobicContact CG-CD1 3.95Å; I813-K872 VanDerWaalsContact O-CD 3.29Å; I813-K872 WeakPolarHBondContact O-CD 3.36Å; I813-K872 WeakPolarHBondContact O-CE 3.39Å; I813-K872 WeakPolarHBondContact O-CG 3.38Å; I813-T925 HydrophobicContact CB-CG2 4.33Å; I813-T925 HydrophobicContact CD1-CG2 3.89Å; I813-T925 HydrophobicContact CG1-CG2 4.3Å; I813-T925 PolarHBondContact N-O 2.99Å; I813-E927 HydrophobicContact CD1-CB 3.91Å; I813-E927 HydrophobicContact CG1-CB 4.21Å
814	E	81.6	Confident	91.5	Very high	19 Å²	19	18.5 Å²	18.5	9%	0.089	11%	0.11	C	C	.	.			trans	-100.9	141.9	179	-70	176	156.8	0	0	110.8	R560 I561 T816 S924 T925	R560-E814 WeakPolarHBondContact CD-OE1 3.48Å; R560-E814 IonicContact NE-OE1 3.67Å; I561-E814 HydrophobicContact CD1-CG 3.78Å; I561-E814 HydrophobicContact CG1-CG 4.39Å; E814-T816 PolarHBondContact O-N 2.84Å; E814-S924 VanDerWaalsContact OE2-C 3.29Å; E814-S924 WeakPolarHBondContact OE2-CA 3.43Å; E814-T925 PolarHBondContact OE1-OG1 3.28Å; E814-T925 PolarHBondContact OE2-N 3.37Å; E814-T925 VanDerWaalsContact OE2-N 3.1Å; E814-T925 PolarHBondContact OE2-OG1 3.09Å
815	S	72.1	Confident	91.6	Very high	77 Å²	77	17.9 Å²	17.9	54%	0.538	10%	0.104	S	C	.	.	S	Bend	trans	-76.7	-7.8	171	50.2	0	0	0	0	112.5
816	T	69.4	Low	91.4	Very high	34 Å²	34	14.9 Å²	14.9	21%	0.209	9%	0.094	C	C	.	.	S	Bend	trans	-101.4	152.2	-178.5	56.6	0	0	0	0	112	C508 E814 N923 S924	C508-T816 HydrophobicContact CB-CG2 3.74Å; E814-T816 PolarHBondContact O-N 2.84Å; T816-N923 CarbonylContact C-O 3.55Å; T816-S924 WeakPolarHBondContact O-CB 3.2Å; T816-S924 PolarHBondContact O-OG 2.96Å
817	G	77.5	Confident	91	Very high	33 Å²	33	19.9 Å²	19.9	34%	0.34	12%	0.12	S	C	.	.	S	Bend	trans	93.3	176.6	171.7	0	0	0	0	0	115.2	L922 N923	G817-L922 CarbonylContact C-O 3.54Å; G817-L922 WeakPolarHBondContact CA-O 3.5Å; G817-N923 WeakPolarHBondContact CA-O 3.25Å
818	L	85.8	Confident	90.7	Very high	37 Å²	37	20.2 Å²	20.2	19%	0.194	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.8	178.1	-58.9	-177.5	0	0	0	109.6	W791 A843 L921 L922	W791-L818 HydrophobicContact CH2-CB 3.72Å; W791-L818 HydrophobicContact CZ2-CB 3.88Å; W791-L818 HydrophobicContact CZ2-CD1 4.29Å; L818-A843 HydrophobicContact CB-CB 3.97Å; L818-A843 HydrophobicContact CD1-CB 4.49Å; L818-A843 HydrophobicContact CD2-CB 3.91Å; L818-A843 HydrophobicContact CG-CB 4.35Å; L818-L921 CarbonylContact O-C 3.56Å; L818-L922 HydrophobicContact CB-CB 4.2Å; L818-L922 HydrophobicContact CB-CD2 4.24Å; L818-L922 HydrophobicContact CD1-CD2 4.07Å; L818-L922 HydrophobicContact CG-CD2 4.29Å; L818-L922 PolarHBondContact N-O 2.84Å; L818-L922 PolarHBondContact O-N 3.4Å
819	W	91.4	Very high	90.5	Very high	9 Å²	9	23.7 Å²	23.7	3%	0.034	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.4	-171.3	45.2	-60.1	0	0	0	111.7	P812 G842 A843 F870 I876 S920 L921 V926	P812-W819 HydrophobicContact CB-CD2 4.23Å; P812-W819 HydrophobicContact CB-CE3 4.29Å; P812-W819 HydrophobicContact CB-CH2 3.41Å; P812-W819 VanDerWaalsContact CB-CH2 3.41Å; P812-W819 HydrophobicContact CB-CZ2 3.19Å; P812-W819 HydrophobicContact CB-CZ3 3.93Å; P812-W819 HydrophobicContact CG-CH2 3.09Å; P812-W819 HydrophobicContact CG-CZ2 3.13Å; P812-W819 HydrophobicContact CG-CZ3 3.96Å; W819-G842 WeakPolarHBondContact O-CA 3.42Å; W819-A843 PolarHBondContact O-N 3.04Å; W819-F870 AromaticContact CD2-CD2 3.91Å; W819-F870 HydrophobicContact CD2-CD2 3.91Å; W819-F870 AromaticContact CD2-CE2 3.26Å; W819-F870 HydrophobicContact CD2-CE2 3.26Å; W819-F870 HydrophobicContact CD2-CZ 4.24Å; W819-F870 AromaticContact CE2-CD2 3.26Å; W819-F870 AromaticContact CE2-CE2 3.14Å; W819-F870 HydrophobicContact CE3-CD2 4.14Å; W819-F870 AromaticContact CE3-CE2 3.41Å; W819-F870 HydrophobicContact CE3-CE2 3.41Å; W819-F870 VanDerWaalsContact CE3-CE2 3.41Å; W819-F870 HydrophobicContact CE3-CZ 4.07Å; W819-F870 HydrophobicContact CG-CE2 4Å; W819-F870 HydrophobicContact CH2-CB 4.18Å; W819-F870 AromaticContact CH2-CD2 3.05Å; W819-F870 HydrophobicContact CH2-CD2 3.05Å; W819-F870 AromaticContact CH2-CE2 3.22Å; W819-F870 HydrophobicContact CH2-CE2 3.22Å; W819-F870 AromaticContact CH2-CG 3.74Å; W819-F870 HydrophobicContact CH2-CG 3.74Å; W819-F870 HydrophobicContact CH2-CZ 4.14Å; W819-F870 HydrophobicContact CZ2-CB 4.21Å; W819-F870 AromaticContact CZ2-CD2 2.83Å; W819-F870 HydrophobicContact CZ2-CD2 2.83Å; W819-F870 AromaticContact CZ2-CE2 3.17Å; W819-F870 HydrophobicContact CZ2-CE2 3.17Å; W819-F870 AromaticContact CZ2-CG 3.83Å; W819-F870 HydrophobicContact CZ2-CG 3.83Å; W819-F870 HydrophobicContact CZ2-CZ 4.41Å; W819-F870 AromaticContact CZ3-CD2 3.76Å; W819-F870 HydrophobicContact CZ3-CD2 3.76Å; W819-F870 AromaticContact CZ3-CE2 3.38Å; W819-F870 HydrophobicContact CZ3-CE2 3.38Å; W819-F870 HydrophobicContact CZ3-CZ 4.01Å; W819-F870 AromaticContact NE1-CD2 3.88Å; W819-F870 AromaticContact NE1-CE2 3.78Å; W819-I876 HydrophobicContact CH2-CG1 4.11Å; W819-I876 HydrophobicContact CZ3-CG1 4.1Å; W819-S920 CarbonylContact C-O 3.53Å; W819-S920 VanDerWaalsContact CA-O 3.29Å; W819-S920 WeakPolarHBondContact CA-O 3.43Å; W819-L921 HydrophobicContact CB-CD2 3.64Å; W819-V926 HydrophobicContact CD2-CG1 4.35Å; W819-V926 HydrophobicContact CE3-CG1 3.9Å
820	R	95.5	Very high	90.4	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145	176.8	-63.4	174.9	-171.3	164.5	13.7	108.9	W791 I832 Y841 A843 N845 I858 V919 S920	W791-R820 HydrophobicContact CH2-CG 3.85Å; W791-R820 HydrophobicContact CZ3-CB 4.37Å; W791-R820 HydrophobicContact CZ3-CG 3.76Å; R820-I832 HydrophobicContact CB-CG2 3.44Å; R820-I832 VanDerWaalsContact CB-CG2 3.44Å; R820-I832 HydrophobicContact CG-CG2 4.4Å; R820-I832 PolarHBondContact NH1-O 3.26Å; R820-Y841 CarbonylContact C-O 3.55Å; R820-Y841 VanDerWaalsContact CA-O 3.3Å; R820-Y841 WeakPolarHBondContact CA-O 3.26Å; R820-A843 WeakPolarHBondContact CG-O 3.42Å; R820-A843 PolarHBondContact NE-O 2.92Å; R820-N845 PolarHBondContact NH2-OD1 3.48Å; R820-I858 HydrophobicContact CG-CD1 4.17Å; R820-V919 CarbonylContact O-C 3.6Å; R820-V919 WeakPolarHBondContact O-CA 3.36Å; R820-S920 PolarHBondContact N-O 2.99Å; R820-S920 PolarHBondContact O-N 2.88Å
821	V	97.6	Very high	90.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.2	176.8	60.4	0	0	0	0	109.7	F808 V810 Y841 I876 C878 T918 V919	F808-V821 HydrophobicContact CE2-CG2 4.06Å; F808-V821 HydrophobicContact CZ-CG2 3.98Å; V810-V821 HydrophobicContact CB-CG2 4.3Å; V810-V821 HydrophobicContact CG2-CG2 3.63Å; V821-Y841 PolarHBondContact N-O 3.36Å; V821-Y841 PolarHBondContact O-N 3.17Å; V821-I876 HydrophobicContact CG1-CG2 3.95Å; V821-C878 VanDerWaalsContact CG2-SG 3.54Å; V821-T918 WeakPolarHBondContact CA-O 3.16Å; V821-V919 HydrophobicContact CB-CG1 4.33Å; V821-V919 HydrophobicContact CG2-CG1 4.03Å
822	G	97.5	Very high	90.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168	-141.1	170.1	0	0	0	0	0	113.5	I832 F839 T918	G822-I832 VanDerWaalsContact C-CD1 3.49Å; G822-F839 WeakPolarHBondContact CA-O 3.27Å; G822-T918 PolarHBondContact N-O 2.74Å; G822-T918 PolarHBondContact O-N 3.41Å
823	W	97.7	Very high	90	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131.8	-171.6	-56.4	91.7	0	0	0	110.1	I800 F808 F839 F879 L880 I887 L915 Y916 P917 V946	I800-W823 HydrophobicContact CG1-CZ3 4.3Å; F808-W823 AromaticContact CD1-CH2 3.66Å; F808-W823 HydrophobicContact CD1-CH2 3.66Å; F808-W823 AromaticContact CD1-CZ2 3.59Å; F808-W823 HydrophobicContact CD1-CZ2 3.59Å; F808-W823 HydrophobicContact CD1-CZ3 4.46Å; F808-W823 HydrophobicContact CE1-CD2 4.3Å; F808-W823 AromaticContact CE1-CE2 3.73Å; F808-W823 AromaticContact CE1-CH2 3.73Å; F808-W823 HydrophobicContact CE1-CH2 3.73Å; F808-W823 AromaticContact CE1-CZ2 3.44Å; F808-W823 HydrophobicContact CE1-CZ2 3.44Å; F808-W823 VanDerWaalsContact CE1-CZ2 3.44Å; F808-W823 HydrophobicContact CE1-CZ3 4.26Å; W823-F839 PolarHBondContact N-O 3.06Å; W823-F839 VanDerWaalsContact N-O 3.08Å; W823-F839 PolarHBondContact O-N 3.38Å; W823-F879 PolarHBondContact NE1-O 3.17Å; W823-L880 HydrophobicContact CD2-CB 4.13Å; W823-L880 HydrophobicContact CD2-CD2 4.14Å; W823-L880 HydrophobicContact CE3-CB 4.46Å; W823-L880 HydrophobicContact CE3-CD2 3.8Å; W823-L880 HydrophobicContact CH2-CB 3.83Å; W823-L880 HydrophobicContact CH2-CD2 4.09Å; W823-L880 HydrophobicContact CZ2-CB 3.44Å; W823-L880 VanDerWaalsContact CZ2-CB 3.44Å; W823-L880 HydrophobicContact CZ2-CD2 4.42Å; W823-L880 HydrophobicContact CZ3-CB 4.32Å; W823-L880 HydrophobicContact CZ3-CD2 3.76Å; W823-I887 HydrophobicContact CB-CD1 4.42Å; W823-L915 HydrophobicContact CB-CB 4.32Å; W823-L915 HydrophobicContact CB-CD2 4.48Å; W823-L915 HydrophobicContact CE3-CB 4.28Å; W823-Y916 WeakPolarHBondContact CA-O 3.38Å; W823-P917 HydrophobicContact CE3-CG 4.28Å; W823-P917 HydrophobicContact CH2-CG 4.32Å; W823-P917 HydrophobicContact CZ3-CG 3.79Å; W823-V946 HydrophobicContact CH2-CG1 3.82Å; W823-V946 HydrophobicContact CZ3-CG1 4.36Å
824	S	96.6	Very high	90	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.9	174	72.4	0	0	0	0	111.8	R795 Y837 Y916 T918	R795-S824 WeakPolarHBondContact CD-OG 3.18Å; S824-Y837 CarbonylContact C-O 3.55Å; S824-Y837 VanDerWaalsContact CA-O 3.27Å; S824-Y837 WeakPolarHBondContact CA-O 3.44Å; S824-Y916 PolarHBondContact N-O 2.85Å; S824-Y916 PolarHBondContact O-N 2.91Å; S824-T918 WeakPolarHBondContact CB-OG1 3.39Å; S824-T918 PolarHBondContact N-OG1 3.09Å; S824-T918 PolarHBondContact OG-OG1 3.35Å
825	T	94.5	Very high	90.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	163.1	168.2	82.1	0	0	0	0	110.4	R795 D827 G828 Y837 L906 T913 L915	R795-T825 PolarHBondContact NH1-O 3.49Å; T825-D827 PolarHBondContact O-N 2.89Å; T825-D827 PolarHBondContact OG1-N 3.35Å; T825-G828 PolarHBondContact O-N 3.16Å; T825-G828 PolarHBondContact OG1-N 2.83Å; T825-Y837 PolarHBondContact N-O 3.11Å; T825-Y837 WeakPolarHBondContact OG1-CB 3.1Å; T825-L906 HydrophobicContact CG2-CD2 3.95Å; T825-T913 HydrophobicContact CG2-CG2 3.87Å; T825-L915 HydrophobicContact CG2-CD2 3.94Å
826	D	91.9	Very high	91.3	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-35.2	169.4	-179.8	-18.2	0	0	0	115	R795 Y916 K955 R958	R795-D826 VanDerWaalsContact CZ-O 3.32Å; R795-D826 PolarHBondContact NH1-O 2.8Å; R795-D826 PolarHBondContact NH2-O 2.87Å; R795-D826 VanDerWaalsContact NH2-O 3.14Å; D826-Y916 HydrophobicContact CB-CE2 4.04Å; D826-K955 IonicContact OD2-NZ 3.35Å; D826-K955 PolarHBondContact OD2-NZ 2.83Å; D826-R958 IonicContact OD1-CZ 2.93Å; D826-R958 IonicContact OD1-NE 2.69Å; D826-R958 PolarHBondContact OD1-NE 2.65Å; D826-R958 IonicContact OD1-NH2 3.47Å; D826-R958 PolarHBondContact OD1-NH2 2.75Å; D826-R958 WeakPolarHBondContact OD2-CD 3.17Å; D826-R958 WeakPolarHBondContact OD2-CG 3.42Å; D826-R958 IonicContact OD2-CZ 2.71Å; D826-R958 IonicContact OD2-NE 2.92Å; D826-R958 PolarHBondContact OD2-NE 3.34Å; D826-R958 IonicContact OD2-NH2 3.94Å; D826-R958 PolarHBondContact OD2-NH2 2.95Å
827	D	90.3	Very high	92.5	Very high	109 Å²	109	29 Å²	29	58%	0.583	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.7	179.8	-64.9	-58.8	0	0	0	113.1	T825 R958	T825-D827 PolarHBondContact O-N 2.89Å; T825-D827 PolarHBondContact OG1-N 3.35Å; D827-R958 VanDerWaalsContact CG-NH2 3.29Å; D827-R958 IonicContact OD1-CZ 2.85Å; D827-R958 IonicContact OD1-NH2 3.87Å; D827-R958 PolarHBondContact OD1-NH2 3.05Å; D827-R958 IonicContact OD2-NH2 3.58Å; D827-R958 PolarHBondContact OD2-NH2 2.92Å
828	G	91.5	Very high	93.3	Very high	8 Å²	8	27.4 Å²	27.4	8%	0.082	14%	0.139	C	C	.	.	S	Bend	trans	-75.8	158.8	-179.4	0	0	0	0	0	114.5	R795 T825 D835 Y837	R795-G828 PolarHBondContact NH1-O 2.97Å; T825-G828 PolarHBondContact O-N 3.16Å; T825-G828 PolarHBondContact OG1-N 2.83Å; G828-D835 WeakPolarHBondContact CA-OD2 3.45Å; G828-Y837 VanDerWaalsContact CA-CB 3.47Å
829	N	94.1	Very high	93.9	Very high	73 Å²	73	25.8 Å²	25.8	39%	0.39	13%	0.13	S	C	.	.			trans	-65.9	138.5	173	-167.3	-25.1	0	0	0	110.5	I831 T834 D835	N829-I831 PolarHBondContact O-N 2.79Å; N829-I831 PolarHBondContact OD1-N 3.27Å; N829-T834 WeakPolarHBondContact CB-OG1 3.46Å; N829-T834 PolarHBondContact ND2-OG1 3.46Å; N829-T834 VanDerWaalsContact ND2-OG1 3.11Å; N829-D835 WeakPolarHBondContact CB-OD2 3.4Å; N829-D835 PolarHBondContact N-OD2 3.27Å
830	L	94.8	Very high	94.1	Very high	25 Å²	25	25.3 Å²	25.3	13%	0.131	13%	0.129	C	C	.	.	S	Bend	trans	-66.5	-22.5	176.2	-64.5	179.3	0	0	0	112.5	T771 G793 R795 I832 S920	T771-L830 HydrophobicContact CG2-CB 3.94Å; T771-L830 HydrophobicContact CG2-CD1 3.79Å; G793-L830 WeakPolarHBondContact CA-O 3.47Å; R795-L830 HydrophobicContact CB-CD2 4.34Å; R795-L830 HydrophobicContact CG-CD2 3.64Å; L830-I832 PolarHBondContact O-N 3.44Å; L830-S920 PolarHBondContact O-OG 2.89Å
831	I	94.3	Very high	94.2	Very high	26 Å²	26	25.1 Å²	25.1	13%	0.133	13%	0.128	C	C	.	.	S	Bend	trans	-82.9	93.1	168.3	-46.3	-48	0	0	0	108	T771 W791 N829 T834 S920	T771-I831 HydrophobicContact CG2-CD1 4.39Å; W791-I831 HydrophobicContact CB-CD1 3.9Å; W791-I831 HydrophobicContact CB-CG1 4.34Å; W791-I831 HydrophobicContact CB-CG2 3.87Å; W791-I831 HydrophobicContact CG-CG2 4.3Å; W791-I831 VanDerWaalsContact O-CD1 3.28Å; W791-I831 WeakPolarHBondContact O-CD1 3.39Å; N829-I831 PolarHBondContact O-N 2.79Å; N829-I831 PolarHBondContact OD1-N 3.27Å; I831-T834 HydrophobicContact CB-CG2 4.07Å; I831-T834 HydrophobicContact CG2-CG2 3.79Å; I831-T834 WeakPolarHBondContact O-CB 3.5Å; I831-T834 WeakPolarHBondContact O-CG2 3.4Å; I831-T834 PolarHBondContact O-N 2.75Å; I831-T834 PolarHBondContact O-OG1 2.82Å; I831-S920 WeakPolarHBondContact CA-OG 3.49Å
832	I	95.3	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	139.2	-168.1	-159.8	176.3	0	0	0	112	R820 G822 L830 T834 F839 T918 S920	R820-I832 HydrophobicContact CB-CG2 3.44Å; R820-I832 VanDerWaalsContact CB-CG2 3.44Å; R820-I832 HydrophobicContact CG-CG2 4.4Å; R820-I832 PolarHBondContact NH1-O 3.26Å; G822-I832 VanDerWaalsContact C-CD1 3.49Å; L830-I832 PolarHBondContact O-N 3.44Å; I832-T834 VanDerWaalsContact C-N 3.34Å; I832-F839 WeakPolarHBondContact CD1-O 3.11Å; I832-T918 HydrophobicContact CB-CG2 4.21Å; I832-T918 HydrophobicContact CD1-CG2 4.1Å; I832-T918 HydrophobicContact CG1-CG2 4.35Å; I832-S920 WeakPolarHBondContact CG2-OG 3.46Å; I832-S920 PolarHBondContact N-OG 3.38Å
833	G	90.5	Very high	93.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-2.3	179.7	0	0	0	0	0	115.1	D835 I858 H859 C860 D861	G833-D835 VanDerWaalsContact C-N 3.33Å; G833-I858 VanDerWaalsContact CA-O 3.28Å; G833-I858 WeakPolarHBondContact CA-O 3.33Å; G833-H859 CarbonylContact O-C 3.55Å; G833-H859 VanDerWaalsContact O-C 3.24Å; G833-H859 WeakPolarHBondContact O-CA 3.3Å; G833-C860 PolarHBondContact O-N 3.16Å; G833-D861 PolarHBondContact O-N 2.77Å
834	T	89.2	Confident	92.7	Very high	32 Å²	32	25.3 Å²	25.3	20%	0.196	13%	0.129	C	C	.	.	S	Bend	trans	-82.1	-10.1	179.3	58.3	0	0	0	0	114.1	N829 I831 I832 D861	N829-T834 WeakPolarHBondContact CB-OG1 3.46Å; N829-T834 PolarHBondContact ND2-OG1 3.46Å; N829-T834 VanDerWaalsContact ND2-OG1 3.11Å; I831-T834 HydrophobicContact CB-CG2 4.07Å; I831-T834 HydrophobicContact CG2-CG2 3.79Å; I831-T834 WeakPolarHBondContact O-CB 3.5Å; I831-T834 WeakPolarHBondContact O-CG2 3.4Å; I831-T834 PolarHBondContact O-N 2.75Å; I831-T834 PolarHBondContact O-OG1 2.82Å; I832-T834 VanDerWaalsContact C-N 3.34Å; T834-D861 WeakPolarHBondContact CA-OD1 3.25Å
835	D	91.3	Very high	91.7	Very high	37 Å²	37	28.6 Å²	28.6	20%	0.198	15%	0.146	C	C	.	.	S	Bend	trans	-137.7	-178.9	176.5	66.6	19.2	0	0	0	111.5	G828 N829 G833 Y837 G838 C860	G828-D835 WeakPolarHBondContact CA-OD2 3.45Å; N829-D835 WeakPolarHBondContact CB-OD2 3.4Å; N829-D835 PolarHBondContact N-OD2 3.27Å; G833-D835 VanDerWaalsContact C-N 3.33Å; D835-Y837 PolarHBondContact O-N 3.27Å; D835-Y837 WeakPolarHBondContact OD1-CA 3.49Å; D835-Y837 WeakPolarHBondContact OD1-CB 3.44Å; D835-Y837 PolarHBondContact OD1-N 3.4Å; D835-G838 PolarHBondContact OD1-N 3.07Å; D835-G838 VanDerWaalsContact OD1-N 3.16Å; D835-C860 PolarHBondContact O-N 3.22Å; D835-C860 VanDerWaalsContact O-N 3.09Å
836	Q	91.1	Very high	90.2	Very high	111 Å²	111	29.9 Å²	29.9	52%	0.519	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.7	178.7	68.8	-177.1	-17.3	0	0	114.6	H859 C860	Q836-H859 PolarHBondContact O-CE1 3.32Å; Q836-C860 WeakPolarHBondContact CA-SG 3.13Å; Q836-C860 VanDerWaalsContact CB-SG 3.57Å
837	Y	93.9	Very high	89.3	Confident	84 Å²	84	29.4 Å²	29.4	33%	0.329	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.8	-173.1	-60	-59.3	0	0	0	112.7	S824 T825 G828 D835	S824-Y837 CarbonylContact C-O 3.55Å; S824-Y837 VanDerWaalsContact CA-O 3.27Å; S824-Y837 WeakPolarHBondContact CA-O 3.44Å; T825-Y837 PolarHBondContact N-O 3.11Å; T825-Y837 WeakPolarHBondContact OG1-CB 3.1Å; G828-Y837 VanDerWaalsContact CA-CB 3.47Å; D835-Y837 PolarHBondContact O-N 3.27Å; D835-Y837 WeakPolarHBondContact OD1-CA 3.49Å; D835-Y837 WeakPolarHBondContact OD1-CB 3.44Å; D835-Y837 PolarHBondContact OD1-N 3.4Å
838	G	95	Very high	88.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.3	178.7	0	0	0	0	0	113.3	D835 H859	D835-G838 PolarHBondContact OD1-N 3.07Å; D835-G838 VanDerWaalsContact OD1-N 3.16Å; G838-H859 PolarHBondContact O-ND1 3.49Å
839	F	97.2	Very high	86.4	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.7	177	-53.5	-86.5	0	0	0	108.6	G822 W823 I832 H859 I887 Y900 P903 L906 L915	G822-F839 WeakPolarHBondContact CA-O 3.27Å; W823-F839 PolarHBondContact N-O 3.06Å; W823-F839 VanDerWaalsContact N-O 3.08Å; W823-F839 PolarHBondContact O-N 3.38Å; I832-F839 WeakPolarHBondContact CD1-O 3.11Å; F839-H859 AromaticContact CD1-CE1 3.78Å; F839-H859 AromaticContact CD1-ND1 3.52Å; F839-H859 AromaticContact CE1-CE1 3.29Å; F839-H859 WeakPolarHBondContact CE1-CE1 3.38Å; F839-H859 AromaticContact CE1-ND1 3.56Å; F839-H859 AromaticContact CE1-NE2 3.81Å; F839-H859 AromaticContact CZ-CE1 3.76Å; F839-I887 HydrophobicContact CB-CD1 3.88Å; F839-I887 HydrophobicContact CD1-CD1 4.33Å; F839-I887 HydrophobicContact CD2-CD1 3.66Å; F839-I887 HydrophobicContact CE2-CD1 4.3Å; F839-I887 HydrophobicContact CG-CD1 3.69Å; F839-Y900 HydrophobicContact CB-CD2 3.96Å; F839-Y900 HydrophobicContact CB-CE2 4.03Å; F839-Y900 HydrophobicContact CD1-CD1 4.05Å; F839-Y900 HydrophobicContact CD1-CD2 4.14Å; F839-Y900 HydrophobicContact CD1-CE1 4.5Å; F839-Y900 AromaticContact CD1-CG 3.83Å; F839-Y900 HydrophobicContact CD1-CG 3.83Å; F839-Y900 HydrophobicContact CG-CD2 4.47Å; F839-P903 HydrophobicContact CE1-CG 4.46Å; F839-P903 HydrophobicContact CZ-CG 4.18Å; F839-L906 HydrophobicContact CE2-CD1 3.9Å; F839-L906 HydrophobicContact CZ-CD1 3.92Å; F839-L915 HydrophobicContact CE2-CD2 4.39Å
840	G	96.8	Very high	83.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.7	-173	0	0	0	0	0	113.7	R857 I858 Y900	G840-R857 CarbonylContact O-C 3.51Å; G840-R857 WeakPolarHBondContact O-CA 3.18Å; G840-I858 PolarHBondContact N-O 2.83Å; G840-I858 PolarHBondContact O-N 3.21Å; G840-Y900 PolarHBondContact O-OH 2.99Å
841	Y	97.1	Very high	81.3	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.4	166.3	167.7	-122.7	0	0	0	109.8	R820 V821 K856 Y866 E868 F870 I876 W889 F896	R820-Y841 CarbonylContact C-O 3.55Å; R820-Y841 VanDerWaalsContact CA-O 3.3Å; R820-Y841 WeakPolarHBondContact CA-O 3.26Å; V821-Y841 PolarHBondContact N-O 3.36Å; V821-Y841 PolarHBondContact O-N 3.17Å; Y841-K856 CarbonylContact C-O 3.54Å; Y841-K856 VanDerWaalsContact CA-O 3.29Å; Y841-K856 WeakPolarHBondContact CA-O 3.36Å; Y841-K856 VanDerWaalsContact CD2-O 3.31Å; Y841-K856 WeakPolarHBondContact CD2-O 3.36Å; Y841-Y866 AromaticContact CD2-CD1 3.67Å; Y841-Y866 HydrophobicContact CD2-CD1 3.67Å; Y841-Y866 HydrophobicContact CD2-CE1 4.1Å; Y841-Y866 AromaticContact CE2-CD1 3.94Å; Y841-Y866 HydrophobicContact CE2-CD1 3.94Å; Y841-Y866 HydrophobicContact CE2-CE1 4.37Å; Y841-Y866 WeakPolarHBondContact CE2-O 3.49Å; Y841-Y866 HydrophobicContact CG-CD1 4.45Å; Y841-E868 PolarHBondContact OH-N 2.85Å; Y841-E868 PolarHBondContact OH-O 3.35Å; Y841-F870 AromaticContact CD1-CE1 3.86Å; Y841-F870 HydrophobicContact CD1-CE1 3.86Å; Y841-F870 AromaticContact CE1-CD1 3.84Å; Y841-F870 HydrophobicContact CE1-CD1 3.84Å; Y841-F870 AromaticContact CE1-CE1 3.35Å; Y841-F870 HydrophobicContact CE1-CE1 3.35Å; Y841-F870 HydrophobicContact CE1-CZ 4.47Å; Y841-F870 HydrophobicContact CE2-CE1 4.26Å; Y841-F870 AromaticContact CZ-CD1 3.84Å; Y841-F870 AromaticContact CZ-CE1 3.54Å; Y841-I876 HydrophobicContact CD1-CG2 3.96Å; Y841-I876 HydrophobicContact CE1-CD1 4.42Å; Y841-I876 HydrophobicContact CE1-CG2 3.88Å; Y841-W889 VanDerWaalsContact CB-CE2 3.42Å; Y841-W889 HydrophobicContact CD1-CB 3.55Å; Y841-W889 AromaticContact CD1-CD1 3.55Å; Y841-W889 AromaticContact CD1-CD2 3.99Å; Y841-W889 HydrophobicContact CD1-CD2 3.99Å; Y841-W889 AromaticContact CD1-CG 3.39Å; Y841-W889 HydrophobicContact CD1-CG 3.39Å; Y841-W889 HydrophobicContact CE1-CB 3.83Å; Y841-W889 HydrophobicContact CE1-CG 4.18Å; Y841-W889 HydrophobicContact CG-CB 4.15Å; Y841-W889 AromaticContact CG-CD2 3.9Å; Y841-W889 HydrophobicContact CG-CD2 3.9Å; Y841-W889 HydrophobicContact CG-CE3 4.31Å; Y841-W889 AromaticContact CG-CG 3.81Å; Y841-W889 HydrophobicContact CG-CG 3.81Å; Y841-F896 HydrophobicContact CE1-CE2 4.05Å; Y841-F896 HydrophobicContact CE2-CE2 4.48Å; Y841-F896 AromaticContact CZ-CE2 3.68Å; Y841-F896 WeakPolarHBondContact OH-CE2 3.32Å
842	G	93.8	Very high	79.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150	-140.6	173.9	0	0	0	0	0	112.9	W819 F848 K856 F870	W819-G842 WeakPolarHBondContact O-CA 3.42Å; G842-F848 WeakPolarHBondContact O-CE1 3.46Å; G842-K856 PolarHBondContact N-O 2.62Å; G842-K856 WeakPolarHBondContact O-CA 3.5Å; G842-K856 WeakPolarHBondContact O-CB 3.47Å; G842-K856 PolarHBondContact O-N 3Å; G842-F870 VanDerWaalsContact CA-CZ 3.45Å
843	A	87.9	Confident	78.5	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.			trans	-82.5	143.5	178	0	0	0	0	0	111.2	L818 W819 R820 F848	L818-A843 HydrophobicContact CB-CB 3.97Å; L818-A843 HydrophobicContact CD1-CB 4.49Å; L818-A843 HydrophobicContact CD2-CB 3.91Å; L818-A843 HydrophobicContact CG-CB 4.35Å; W819-A843 PolarHBondContact O-N 3.04Å; R820-A843 WeakPolarHBondContact CG-O 3.42Å; R820-A843 PolarHBondContact NE-O 2.92Å; A843-F848 HydrophobicContact CB-CD1 4.46Å; A843-F848 HydrophobicContact CB-CD2 4.25Å; A843-F848 HydrophobicContact CB-CE1 4.17Å; A843-F848 HydrophobicContact CB-CE2 3.92Å; A843-F848 HydrophobicContact CB-CG 4.46Å; A843-F848 HydrophobicContact CB-CZ 3.82Å
844	D	80.8	Confident	78.1	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.021	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-77.2	-175.6	163.6	66.6	26.4	0	0	0	110.4	Y490 E846 G847 K856 I863	Y490-D844 PolarHBondContact OH-OD2 3.43Å; D844-E846 PolarHBondContact O-N 3.34Å; D844-E846 VanDerWaalsContact OD1-C 3.24Å; D844-E846 VanDerWaalsContact OD1-CA 3.27Å; D844-E846 WeakPolarHBondContact OD1-CA 3.16Å; D844-E846 VanDerWaalsContact OD1-CB 3.28Å; D844-E846 WeakPolarHBondContact OD1-CB 3.43Å; D844-E846 PolarHBondContact OD1-N 3Å; D844-G847 PolarHBondContact N-O 2.89Å; D844-G847 VanDerWaalsContact N-O 3.08Å; D844-G847 PolarHBondContact O-N 2.98Å; D844-G847 VanDerWaalsContact O-N 3.15Å; D844-G847 PolarHBondContact OD1-N 3.28Å; D844-G847 VanDerWaalsContact OD1-O 3.07Å; D844-K856 HydrophobicContact CB-CG 4.2Å; D844-K856 IonicContact OD2-NZ 3.35Å; D844-I863 HydrophobicContact CB-CD1 3.81Å; D844-I863 HydrophobicContact CB-CG1 4.29Å; D844-I863 HydrophobicContact CB-CG2 3.73Å
845	N	74.8	Confident	78	Confident	69 Å²	69	30.2 Å²	30.2	37%	0.369	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	-179.2	-65.5	-19.2	0	0	0	113.4	A493 W791 R820	A493-N845 WeakPolarHBondContact CA-O 3.5Å; A493-N845 HydrophobicContact CB-CB 3.32Å; W791-N845 PolarHBondContact NE1-OD1 2.84Å; R820-N845 PolarHBondContact NH2-OD1 3.48Å
846	E	63.7	Low	77.9	Confident	30 Å²	30	29.1 Å²	29.1	14%	0.14	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	1	-173.3	-59.3	-176.2	-146.9	0	0	110.9	R345 Y490 Q491 A493 D844	R345-E846 IonicContact CZ-OE1 3.97Å; R345-E846 IonicContact NH1-OE1 2.79Å; R345-E846 PolarHBondContact NH1-OE1 3.07Å; R345-E846 IonicContact NH2-OE1 3.3Å; R345-E846 PolarHBondContact NH2-OE1 2.85Å; Y490-E846 HydrophobicContact CD1-CB 3.28Å; Y490-E846 HydrophobicContact CD1-CG 4.08Å; Y490-E846 WeakPolarHBondContact CD1-OE2 3.36Å; Y490-E846 HydrophobicContact CE1-CB 3.08Å; Y490-E846 HydrophobicContact CE1-CG 3.9Å; Y490-E846 WeakPolarHBondContact CE1-OE2 3.49Å; Q491-E846 CarbonylContact O-C 3.59Å; Q491-E846 WeakPolarHBondContact O-CA 3.37Å; Q491-E846 WeakPolarHBondContact O-CB 3.33Å; A493-E846 HydrophobicContact CB-CG 3.87Å; D844-E846 PolarHBondContact O-N 3.34Å; D844-E846 VanDerWaalsContact OD1-C 3.24Å; D844-E846 VanDerWaalsContact OD1-CA 3.27Å; D844-E846 WeakPolarHBondContact OD1-CA 3.16Å; D844-E846 VanDerWaalsContact OD1-CB 3.28Å; D844-E846 WeakPolarHBondContact OD1-CB 3.43Å; D844-E846 PolarHBondContact OD1-N 3Å
847	G	71.8	Confident	78	Confident	7 Å²	7	27.3 Å²	27.3	7%	0.072	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	106.9	-152	175	0	0	0	0	0	115.7	D844 G849	D844-G847 PolarHBondContact N-O 2.89Å; D844-G847 VanDerWaalsContact N-O 3.08Å; D844-G847 PolarHBondContact O-N 2.98Å; D844-G847 VanDerWaalsContact O-N 3.15Å; D844-G847 PolarHBondContact OD1-N 3.28Å; D844-G847 VanDerWaalsContact OD1-O 3.07Å; G847-G849 PolarHBondContact O-N 2.77Å
848	F	74.5	Confident	78	Confident	22 Å²	22	23.4 Å²	23.4	10%	0.096	13%	0.126	C	C	.	.	S	Bend	trans	-95.2	46.9	-174.1	-78.5	-67.3	0	0	0	114.2	G842 A843 N851 G852 Q853 Q854 A869 F870	G842-F848 WeakPolarHBondContact O-CE1 3.46Å; A843-F848 HydrophobicContact CB-CD1 4.46Å; A843-F848 HydrophobicContact CB-CD2 4.25Å; A843-F848 HydrophobicContact CB-CE1 4.17Å; A843-F848 HydrophobicContact CB-CE2 3.92Å; A843-F848 HydrophobicContact CB-CG 4.46Å; A843-F848 HydrophobicContact CB-CZ 3.82Å; F848-N851 PolarHBondContact O-OD1 3.36Å; F848-G852 CarbonylContact O-C 3.56Å; F848-G852 VanDerWaalsContact O-CA 3.27Å; F848-G852 WeakPolarHBondContact O-CA 3.34Å; F848-G852 PolarHBondContact O-N 3.09Å; F848-Q853 PolarHBondContact O-N 3.01Å; F848-Q854 CarbonylContact C-O 3.54Å; F848-Q854 VanDerWaalsContact CA-O 3.3Å; F848-Q854 WeakPolarHBondContact CA-O 3.35Å; F848-Q854 WeakPolarHBondContact CD1-O 3.37Å; F848-Q854 PolarHBondContact O-N 2.85Å; F848-Q854 VanDerWaalsContact O-O 3.12Å; F848-A869 HydrophobicContact CB-CB 3.56Å; F848-A869 HydrophobicContact CD1-CB 3.66Å; F848-A869 HydrophobicContact CD2-CB 4.03Å; F848-A869 HydrophobicContact CE1-CB 4.39Å; F848-A869 HydrophobicContact CG-CB 3.48Å; F848-A869 VanDerWaalsContact CG-CB 3.48Å; F848-F870 HydrophobicContact CE1-CD1 4.28Å; F848-F870 HydrophobicContact CE1-CD2 4.13Å; F848-F870 HydrophobicContact CE1-CE1 4.07Å; F848-F870 HydrophobicContact CE1-CE2 4.04Å; F848-F870 HydrophobicContact CE1-CG 4.4Å; F848-F870 HydrophobicContact CE1-CZ 4.04Å; F848-F870 AromaticContact CE2-CD2 3.92Å; F848-F870 HydrophobicContact CE2-CD2 3.92Å; F848-F870 HydrophobicContact CE2-CE2 4.08Å; F848-F870 HydrophobicContact CZ-CD1 4.28Å; F848-F870 AromaticContact CZ-CD2 3.35Å; F848-F870 HydrophobicContact CZ-CD2 3.35Å; F848-F870 HydrophobicContact CZ-CE1 4.09Å; F848-F870 AromaticContact CZ-CE2 3.24Å; F848-F870 HydrophobicContact CZ-CE2 3.24Å; F848-F870 HydrophobicContact CZ-CG 4.02Å; F848-F870 AromaticContact CZ-CZ 3.68Å; F848-F870 HydrophobicContact CZ-CZ 3.68Å
849	G	46.7	Very low	77.9	Confident	7 Å²	7	25.1 Å²	25.1	7%	0.072	13%	0.134	C	C	.	.			trans	80.9	173.6	-177.6	0	0	0	0	0	112.9	Y490 G847 N851 G852	Y490-G849 WeakPolarHBondContact CD2-O 3.36Å; G847-G849 PolarHBondContact O-N 2.77Å; G849-N851 PolarHBondContact O-N 3.26Å; G849-G852 PolarHBondContact O-N 2.72Å; G849-G852 VanDerWaalsContact O-N 3.13Å
850	L	38.3	Very low	77.5	Confident	26 Å²	26	27.7 Å²	27.7	14%	0.136	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-41.4	178.1	-74.1	166.5	0	0	0	107.6	R343 F469 Y488 Q489 Y490 G852	R343-L850 HydrophobicContact CB-CD1 4.03Å; R343-L850 WeakPolarHBondContact O-CD1 3.39Å; F469-L850 HydrophobicContact CD1-CD1 4.35Å; F469-L850 HydrophobicContact CE1-CD1 4.03Å; Y488-L850 CarbonylContact C-O 3.57Å; Y488-L850 WeakPolarHBondContact CA-O 3.47Å; Y488-L850 HydrophobicContact CD1-CB 4.19Å; Q489-L850 CarbonylContact C-O 3.45Å; Q489-L850 VanDerWaalsContact C-O 3.24Å; Q489-L850 WeakPolarHBondContact CA-O 3.49Å; Q489-L850 VanDerWaalsContact N-C 3.34Å; Q489-L850 PolarHBondContact N-O 2.88Å; Y490-L850 HydrophobicContact CD2-CB 3.87Å; Y490-L850 HydrophobicContact CD2-CD2 3.6Å; Y490-L850 HydrophobicContact CD2-CG 3.45Å; Y490-L850 VanDerWaalsContact CD2-CG 3.45Å; Y490-L850 HydrophobicContact CE2-CB 4.47Å; Y490-L850 HydrophobicContact CE2-CG 4.1Å; Y490-L850 HydrophobicContact CG-CD2 4.04Å; Y490-L850 HydrophobicContact CG-CG 4.37Å; L850-G852 PolarHBondContact O-N 2.86Å
851	N	44.1	Very low	76.9	Confident	43 Å²	43	32.9 Å²	32.9	23%	0.23	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12	178.5	52.9	1.2	0	0	0	115.7	Q487 Y488 F848 G849 Q853 Q854	Q487-N851 VanDerWaalsContact C-CA 3.47Å; Q487-N851 HydrophobicContact CB-CB 4.05Å; Q487-N851 WeakPolarHBondContact O-CA 3.34Å; Q487-N851 WeakPolarHBondContact O-CB 3.47Å; Q487-N851 PolarHBondContact O-N 3.22Å; Y488-N851 HydrophobicContact CD1-CB 4.47Å; Y488-N851 HydrophobicContact CE1-CB 4.43Å; F848-N851 PolarHBondContact O-OD1 3.36Å; G849-N851 PolarHBondContact O-N 3.26Å; N851-Q853 HydrophobicContact CB-CB 4.04Å; N851-Q853 HydrophobicContact CB-CG 4.42Å; N851-Q853 WeakPolarHBondContact O-CG 3.37Å; N851-Q853 PolarHBondContact O-N 2.85Å; N851-Q853 PolarHBondContact OD1-N 3.06Å; N851-Q854 WeakPolarHBondContact OD1-CB 3.29Å; N851-Q854 PolarHBondContact OD1-N 2.67Å
852	G	60.7	Low	76.2	Confident	44 Å²	44	38.8 Å²	38.8	45%	0.454	21%	0.207	S	C	.	.	S	Bend	trans	58.2	14.3	-167.4	0	0	0	0	0	112.7	F848 G849 L850 A869	F848-G852 CarbonylContact O-C 3.56Å; F848-G852 VanDerWaalsContact O-CA 3.27Å; F848-G852 WeakPolarHBondContact O-CA 3.34Å; F848-G852 PolarHBondContact O-N 3.09Å; G849-G852 PolarHBondContact O-N 2.72Å; G849-G852 VanDerWaalsContact O-N 3.13Å; L850-G852 PolarHBondContact O-N 2.86Å; G852-A869 WeakPolarHBondContact O-CB 3.44Å
853	Q	68.5	Low	75.8	Confident	102 Å²	102	41.9 Å²	41.9	48%	0.477	22%	0.222	S	C	.	.			trans	-117.9	-5.9	-175.9	-70.1	-168.9	-18.5	0	0	112.1	Q487 F848 N851 A869	Q487-Q853 VanDerWaalsContact NE2-OE1 3.12Å; F848-Q853 PolarHBondContact O-N 3.01Å; N851-Q853 HydrophobicContact CB-CB 4.04Å; N851-Q853 HydrophobicContact CB-CG 4.42Å; N851-Q853 WeakPolarHBondContact O-CG 3.37Å; N851-Q853 PolarHBondContact O-N 2.85Å; N851-Q853 PolarHBondContact OD1-N 3.06Å; Q853-A869 VanDerWaalsContact CA-CB 3.44Å; Q853-A869 PolarHBondContact O-N 3.2Å
854	Q	83.2	Confident	75.7	Confident	47 Å²	47	46.1 Å²	46.1	22%	0.22	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111.6	-174.2	-175.2	56.7	70.2	0	0	111.3	F848 N851 N865 G867	F848-Q854 CarbonylContact C-O 3.54Å; F848-Q854 VanDerWaalsContact CA-O 3.3Å; F848-Q854 WeakPolarHBondContact CA-O 3.35Å; F848-Q854 WeakPolarHBondContact CD1-O 3.37Å; F848-Q854 PolarHBondContact O-N 2.85Å; F848-Q854 VanDerWaalsContact O-O 3.12Å; N851-Q854 WeakPolarHBondContact OD1-CB 3.29Å; N851-Q854 PolarHBondContact OD1-N 2.67Å; Q854-N865 HydrophobicContact CG-CB 3.8Å; Q854-N865 VanDerWaalsContact CG-CG 3.44Å; Q854-N865 WeakPolarHBondContact CG-OD1 3.36Å; Q854-G867 PolarHBondContact NE2-O 3.44Å
855	G	86.9	Confident	76.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	157.2	166.6	0	0	0	0	0	111.9	Y866 E868	G855-Y866 CarbonylContact C-O 3.32Å; G855-Y866 WeakPolarHBondContact CA-O 3.23Å; G855-Y866 PolarHBondContact O-N 3.16Å; G855-E868 VanDerWaalsContact CA-O 3.24Å; G855-E868 WeakPolarHBondContact CA-O 3.27Å; G855-E868 PolarHBondContact N-O 3.18Å
856	K	89.1	Confident	76.9	Confident	14 Å²	14	46.4 Å²	46.4	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	177.6	-52	-68.6	-175	161.2	0	110.9	Y490 Y841 G842 D844 I858 I863 E864 N865	Y490-K856 VanDerWaalsContact OH-CE 3.31Å; Y490-K856 WeakPolarHBondContact OH-CE 3.08Å; Y490-K856 PolarHBondContact OH-NZ 2.82Å; Y490-K856 VanDerWaalsContact OH-NZ 3.11Å; Y841-K856 CarbonylContact C-O 3.54Å; Y841-K856 VanDerWaalsContact CA-O 3.29Å; Y841-K856 WeakPolarHBondContact CA-O 3.36Å; Y841-K856 VanDerWaalsContact CD2-O 3.31Å; Y841-K856 WeakPolarHBondContact CD2-O 3.36Å; G842-K856 PolarHBondContact N-O 2.62Å; G842-K856 WeakPolarHBondContact O-CA 3.5Å; G842-K856 WeakPolarHBondContact O-CB 3.47Å; G842-K856 PolarHBondContact O-N 3Å; D844-K856 HydrophobicContact CB-CG 4.2Å; D844-K856 IonicContact OD2-NZ 3.35Å; K856-I858 HydrophobicContact CB-CD1 3.99Å; K856-I858 HydrophobicContact CB-CG1 4.3Å; K856-I863 HydrophobicContact CB-CG2 4.07Å; K856-I863 HydrophobicContact CD-CG2 3.96Å; K856-I863 HydrophobicContact CG-CG2 4.11Å; K856-E864 CarbonylContact C-O 3.6Å; K856-E864 WeakPolarHBondContact CA-O 3.39Å; K856-N865 PolarHBondContact NZ-OD1 2.85Å
857	R	94	Very high	78.3	Confident	73 Å²	73	46 Å²	46	28%	0.275	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.4	161.3	75.7	174.8	179.8	-174.7	-1.8	107.8	G840 E864 Y866 A899 Y900	G840-R857 CarbonylContact O-C 3.51Å; G840-R857 WeakPolarHBondContact O-CA 3.18Å; R857-E864 HydrophobicContact CG-CB 3.98Å; R857-E864 IonicContact CZ-OE2 3.17Å; R857-E864 PolarHBondContact N-O 3.13Å; R857-E864 IonicContact NE-OE2 3.87Å; R857-E864 PolarHBondContact NE-OE2 3.31Å; R857-E864 IonicContact NH2-OE2 2.72Å; R857-E864 PolarHBondContact NH2-OE2 3.21Å; R857-E864 PolarHBondContact O-N 3.41Å; R857-Y866 HydrophobicContact CB-CD1 4.28Å; R857-Y866 HydrophobicContact CB-CG 4.08Å; R857-A899 PolarHBondContact NH1-O 2.85Å; R857-Y900 WeakPolarHBondContact CA-OH 3.48Å; R857-Y900 HydrophobicContact CB-CE1 4.45Å; R857-Y900 HydrophobicContact CB-CE2 4.13Å; R857-Y900 WeakPolarHBondContact CB-OH 3.29Å; R857-Y900 HydrophobicContact CG-CE1 4.39Å
858	I	92.9	Very high	79.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.9	-179	-47.1	99.6	0	0	0	111.4	R820 G833 G840 K856 E862 I863 Y900	R820-I858 HydrophobicContact CG-CD1 4.17Å; G833-I858 VanDerWaalsContact CA-O 3.28Å; G833-I858 WeakPolarHBondContact CA-O 3.33Å; G840-I858 PolarHBondContact N-O 2.83Å; G840-I858 PolarHBondContact O-N 3.21Å; K856-I858 HydrophobicContact CB-CD1 3.99Å; K856-I858 HydrophobicContact CB-CG1 4.3Å; I858-E862 VanDerWaalsContact CA-O 3.31Å; I858-E862 WeakPolarHBondContact CA-O 3.41Å; I858-I863 HydrophobicContact CB-CG1 4.43Å; I858-I863 HydrophobicContact CG1-CG1 3.94Å; I858-I863 HydrophobicContact CG1-CG2 4.45Å; I858-I863 HydrophobicContact CG2-CG1 3.83Å; I858-Y900 WeakPolarHBondContact CA-OH 3.11Å; I858-Y900 PolarHBondContact N-OH 2.82Å; I858-Y900 PolarHBondContact O-OH 3.19Å; I858-Y900 VanDerWaalsContact O-OH 3.1Å
859	H	93	Very high	79.9	Confident	37 Å²	37	49.4 Å²	49.4	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	137.6	176.1	-180	67.3	0	0	0	109.7	G833 Q836 G838 F839 D861 E862 Y900	G833-H859 CarbonylContact O-C 3.55Å; G833-H859 VanDerWaalsContact O-C 3.24Å; G833-H859 WeakPolarHBondContact O-CA 3.3Å; Q836-H859 PolarHBondContact O-CE1 3.32Å; G838-H859 PolarHBondContact O-ND1 3.49Å; F839-H859 AromaticContact CD1-CE1 3.78Å; F839-H859 AromaticContact CD1-ND1 3.52Å; F839-H859 AromaticContact CE1-CE1 3.29Å; F839-H859 WeakPolarHBondContact CE1-CE1 3.38Å; F839-H859 AromaticContact CE1-ND1 3.56Å; F839-H859 AromaticContact CE1-NE2 3.81Å; F839-H859 AromaticContact CZ-CE1 3.76Å; H859-D861 PolarHBondContact O-N 2.84Å; H859-E862 PolarHBondContact N-O 3.08Å; H859-E862 VanDerWaalsContact N-O 3.08Å; H859-E862 WeakPolarHBondContact O-CA 3.35Å; H859-E862 WeakPolarHBondContact O-CB 3.43Å; H859-E862 PolarHBondContact O-N 2.83Å; H859-Y900 HydrophobicContact CB-CE1 3.72Å
860	C	89.7	Confident	81.9	Confident	56 Å²	56	49.4 Å²	49.4	38%	0.378	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	36.1	-176.5	-64.7	0	0	0	0	115.1	G833 D835 Q836 E862	G833-C860 PolarHBondContact O-N 3.16Å; D835-C860 PolarHBondContact O-N 3.22Å; D835-C860 VanDerWaalsContact O-N 3.09Å; Q836-C860 WeakPolarHBondContact CA-SG 3.13Å; Q836-C860 VanDerWaalsContact CB-SG 3.57Å; C860-E862 PolarHBondContact O-N 3.36Å
861	D	84.2	Confident	84.1	Confident	109 Å²	109	51.5 Å²	51.5	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	4.6	-170.6	-72.3	-40.5	0	0	0	114.9	G833 T834 H859	G833-D861 PolarHBondContact O-N 2.77Å; T834-D861 WeakPolarHBondContact CA-OD1 3.25Å; H859-D861 PolarHBondContact O-N 2.84Å
862	E	82.7	Confident	86.2	Confident	124 Å²	124	54.1 Å²	54.1	58%	0.579	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.8	170.4	-58.6	-159	143.4	0	0	109.7	I858 H859 C860	I858-E862 VanDerWaalsContact CA-O 3.31Å; I858-E862 WeakPolarHBondContact CA-O 3.41Å; H859-E862 PolarHBondContact N-O 3.08Å; H859-E862 VanDerWaalsContact N-O 3.08Å; H859-E862 WeakPolarHBondContact O-CA 3.35Å; H859-E862 WeakPolarHBondContact O-CB 3.43Å; H859-E862 PolarHBondContact O-N 2.83Å; C860-E862 PolarHBondContact O-N 3.36Å
863	I	85.2	Confident	87.7	Confident	64 Å²	64	56.6 Å²	56.6	33%	0.328	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.8	-174.9	-64.2	157.2	0	0	0	108.1	D844 K856 I858	D844-I863 HydrophobicContact CB-CD1 3.81Å; D844-I863 HydrophobicContact CB-CG1 4.29Å; D844-I863 HydrophobicContact CB-CG2 3.73Å; K856-I863 HydrophobicContact CB-CG2 4.07Å; K856-I863 HydrophobicContact CD-CG2 3.96Å; K856-I863 HydrophobicContact CG-CG2 4.11Å; I858-I863 HydrophobicContact CB-CG1 4.43Å; I858-I863 HydrophobicContact CG1-CG1 3.94Å; I858-I863 HydrophobicContact CG1-CG2 4.45Å; I858-I863 HydrophobicContact CG2-CG1 3.83Å
864	E	86	Confident	89	Confident	89 Å²	89	52.7 Å²	52.7	42%	0.416	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.5	178.1	-63.8	-175	156.4	0	0	111.3	K856 R857 Y866	K856-E864 CarbonylContact C-O 3.6Å; K856-E864 WeakPolarHBondContact CA-O 3.39Å; R857-E864 HydrophobicContact CG-CB 3.98Å; R857-E864 IonicContact CZ-OE2 3.17Å; R857-E864 PolarHBondContact N-O 3.13Å; R857-E864 IonicContact NE-OE2 3.87Å; R857-E864 PolarHBondContact NE-OE2 3.31Å; R857-E864 IonicContact NH2-OE2 2.72Å; R857-E864 PolarHBondContact NH2-OE2 3.21Å; R857-E864 PolarHBondContact O-N 3.41Å; E864-Y866 PolarHBondContact O-N 3.46Å
865	N	87.8	Confident	89.6	Confident	59 Å²	59	50.5 Å²	50.5	32%	0.316	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.1	176.5	-70	-11.5	0	0	0	110.4	I344 Q854 K856	I344-N865 WeakPolarHBondContact CD1-ND2 3.41Å; Q854-N865 HydrophobicContact CG-CB 3.8Å; Q854-N865 VanDerWaalsContact CG-CG 3.44Å; Q854-N865 WeakPolarHBondContact CG-OD1 3.36Å; K856-N865 PolarHBondContact NZ-OD1 2.85Å
866	Y	92.3	Very high	90.2	Very high	21 Å²	21	50.5 Å²	50.5	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	135.8	178.3	171.7	-96	0	0	0	110.1	Y841 G855 R857 E864 W889 F896 G897 A899	Y841-Y866 AromaticContact CD2-CD1 3.67Å; Y841-Y866 HydrophobicContact CD2-CD1 3.67Å; Y841-Y866 HydrophobicContact CD2-CE1 4.1Å; Y841-Y866 AromaticContact CE2-CD1 3.94Å; Y841-Y866 HydrophobicContact CE2-CD1 3.94Å; Y841-Y866 HydrophobicContact CE2-CE1 4.37Å; Y841-Y866 WeakPolarHBondContact CE2-O 3.49Å; Y841-Y866 HydrophobicContact CG-CD1 4.45Å; G855-Y866 CarbonylContact C-O 3.32Å; G855-Y866 WeakPolarHBondContact CA-O 3.23Å; G855-Y866 PolarHBondContact O-N 3.16Å; R857-Y866 HydrophobicContact CB-CD1 4.28Å; R857-Y866 HydrophobicContact CB-CG 4.08Å; E864-Y866 PolarHBondContact O-N 3.46Å; Y866-W889 HydrophobicContact CE1-CB 4.29Å; Y866-W889 AromaticContact CE1-CE3 3.77Å; Y866-W889 HydrophobicContact CE1-CE3 3.77Å; Y866-W889 PolarHBondContact OH-N 3.13Å; Y866-F896 HydrophobicContact CE1-CB 4.18Å; Y866-F896 HydrophobicContact CE1-CD2 4.01Å; Y866-F896 HydrophobicContact CE2-CB 4.05Å; Y866-F896 WeakPolarHBondContact OH-CB 3.18Å; Y866-G897 WeakPolarHBondContact CE2-O 3.38Å; Y866-G897 VanDerWaalsContact CZ-O 3.23Å; Y866-G897 PolarHBondContact OH-O 3.31Å; Y866-A899 HydrophobicContact CD1-CB 4.21Å; Y866-A899 HydrophobicContact CD2-CB 3.98Å; Y866-A899 HydrophobicContact CE1-CB 3.81Å; Y866-A899 HydrophobicContact CE2-CB 3.55Å; Y866-A899 HydrophobicContact CG-CB 4.28Å; Y866-A899 VanDerWaalsContact CZ-CB 3.44Å
867	G	92	Very high	90.6	Very high	22 Å²	22	49.9 Å²	49.9	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.5	-157.1	179.8	0	0	0	0	0	113.7	Q854	Q854-G867 PolarHBondContact NE2-O 3.44Å
868	E	91.5	Very high	90.8	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	165.3	-177.2	-64.3	-175.1	-177.9	0	0	112	Y841 G855 K891 F896	Y841-E868 PolarHBondContact OH-N 2.85Å; Y841-E868 PolarHBondContact OH-O 3.35Å; G855-E868 VanDerWaalsContact CA-O 3.24Å; G855-E868 WeakPolarHBondContact CA-O 3.27Å; G855-E868 PolarHBondContact N-O 3.18Å; E868-K891 HydrophobicContact CB-CD 4.22Å; E868-F896 HydrophobicContact CB-CE1 4.31Å; E868-F896 HydrophobicContact CB-CZ 4.03Å; E868-F896 HydrophobicContact CG-CE1 3.95Å; E868-F896 HydrophobicContact CG-CZ 4.19Å
869	A	88.2	Confident	91.1	Very high	11 Å²	11	46.5 Å²	46.5	9%	0.091	25%	0.247	C	C	.	.			trans	-74.3	160.8	166.5	0	0	0	0	0	111.2	F848 G852 Q853 K891	F848-A869 HydrophobicContact CB-CB 3.56Å; F848-A869 HydrophobicContact CD1-CB 3.66Å; F848-A869 HydrophobicContact CD2-CB 4.03Å; F848-A869 HydrophobicContact CE1-CB 4.39Å; F848-A869 HydrophobicContact CG-CB 3.48Å; F848-A869 VanDerWaalsContact CG-CB 3.48Å; G852-A869 WeakPolarHBondContact O-CB 3.44Å; Q853-A869 VanDerWaalsContact CA-CB 3.44Å; Q853-A869 PolarHBondContact O-N 3.2Å; A869-K891 WeakPolarHBondContact O-CD 3.25Å; A869-K891 WeakPolarHBondContact O-CE 3.34Å; A869-K891 PolarHBondContact O-NZ 3.3Å
870	F	88.5	Confident	91.3	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.035	24%	0.238	C	C	.	.			trans	-141.9	155.1	-179.3	44.9	-116.8	0	0	0	111.4	W819 Y841 G842 F848 D874 I876 K891	W819-F870 AromaticContact CD2-CD2 3.91Å; W819-F870 HydrophobicContact CD2-CD2 3.91Å; W819-F870 AromaticContact CD2-CE2 3.26Å; W819-F870 HydrophobicContact CD2-CE2 3.26Å; W819-F870 HydrophobicContact CD2-CZ 4.24Å; W819-F870 AromaticContact CE2-CD2 3.26Å; W819-F870 AromaticContact CE2-CE2 3.14Å; W819-F870 HydrophobicContact CE3-CD2 4.14Å; W819-F870 AromaticContact CE3-CE2 3.41Å; W819-F870 HydrophobicContact CE3-CE2 3.41Å; W819-F870 VanDerWaalsContact CE3-CE2 3.41Å; W819-F870 HydrophobicContact CE3-CZ 4.07Å; W819-F870 HydrophobicContact CG-CE2 4Å; W819-F870 HydrophobicContact CH2-CB 4.18Å; W819-F870 AromaticContact CH2-CD2 3.05Å; W819-F870 HydrophobicContact CH2-CD2 3.05Å; W819-F870 AromaticContact CH2-CE2 3.22Å; W819-F870 HydrophobicContact CH2-CE2 3.22Å; W819-F870 AromaticContact CH2-CG 3.74Å; W819-F870 HydrophobicContact CH2-CG 3.74Å; W819-F870 HydrophobicContact CH2-CZ 4.14Å; W819-F870 HydrophobicContact CZ2-CB 4.21Å; W819-F870 AromaticContact CZ2-CD2 2.83Å; W819-F870 HydrophobicContact CZ2-CD2 2.83Å; W819-F870 AromaticContact CZ2-CE2 3.17Å; W819-F870 HydrophobicContact CZ2-CE2 3.17Å; W819-F870 AromaticContact CZ2-CG 3.83Å; W819-F870 HydrophobicContact CZ2-CG 3.83Å; W819-F870 HydrophobicContact CZ2-CZ 4.41Å; W819-F870 AromaticContact CZ3-CD2 3.76Å; W819-F870 HydrophobicContact CZ3-CD2 3.76Å; W819-F870 AromaticContact CZ3-CE2 3.38Å; W819-F870 HydrophobicContact CZ3-CE2 3.38Å; W819-F870 HydrophobicContact CZ3-CZ 4.01Å; W819-F870 AromaticContact NE1-CD2 3.88Å; W819-F870 AromaticContact NE1-CE2 3.78Å; Y841-F870 AromaticContact CD1-CE1 3.86Å; Y841-F870 HydrophobicContact CD1-CE1 3.86Å; Y841-F870 AromaticContact CE1-CD1 3.84Å; Y841-F870 HydrophobicContact CE1-CD1 3.84Å; Y841-F870 AromaticContact CE1-CE1 3.35Å; Y841-F870 HydrophobicContact CE1-CE1 3.35Å; Y841-F870 HydrophobicContact CE1-CZ 4.47Å; Y841-F870 HydrophobicContact CE2-CE1 4.26Å; Y841-F870 AromaticContact CZ-CD1 3.84Å; Y841-F870 AromaticContact CZ-CE1 3.54Å; G842-F870 VanDerWaalsContact CA-CZ 3.45Å; F848-F870 HydrophobicContact CE1-CD1 4.28Å; F848-F870 HydrophobicContact CE1-CD2 4.13Å; F848-F870 HydrophobicContact CE1-CE1 4.07Å; F848-F870 HydrophobicContact CE1-CE2 4.04Å; F848-F870 HydrophobicContact CE1-CG 4.4Å; F848-F870 HydrophobicContact CE1-CZ 4.04Å; F848-F870 AromaticContact CE2-CD2 3.92Å; F848-F870 HydrophobicContact CE2-CD2 3.92Å; F848-F870 HydrophobicContact CE2-CE2 4.08Å; F848-F870 HydrophobicContact CZ-CD1 4.28Å; F848-F870 AromaticContact CZ-CD2 3.35Å; F848-F870 HydrophobicContact CZ-CD2 3.35Å; F848-F870 HydrophobicContact CZ-CE1 4.09Å; F848-F870 AromaticContact CZ-CE2 3.24Å; F848-F870 HydrophobicContact CZ-CE2 3.24Å; F848-F870 HydrophobicContact CZ-CG 4.02Å; F848-F870 AromaticContact CZ-CZ 3.68Å; F848-F870 HydrophobicContact CZ-CZ 3.68Å; F870-D874 WeakPolarHBondContact CA-OD2 3.46Å; F870-D874 HydrophobicContact CB-CB 4.03Å; F870-I876 HydrophobicContact CB-CD1 3.78Å; F870-I876 HydrophobicContact CB-CG1 4.5Å; F870-I876 HydrophobicContact CD1-CD1 3.32Å; F870-I876 HydrophobicContact CD1-CG1 3.83Å; F870-I876 HydrophobicContact CE1-CD1 3.97Å; F870-I876 HydrophobicContact CE1-CG1 4.05Å; F870-I876 HydrophobicContact CG-CD1 3.69Å; F870-I876 HydrophobicContact CG-CG1 4.09Å; F870-I876 HydrophobicContact CZ-CG1 4.43Å; F870-K891 HydrophobicContact CB-CD 4.4Å
871	S	86.4	Confident	91.6	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	22%	0.222	S	C	.	.			trans	-141.9	-178.9	-176.2	64.8	0	0	0	0	110.3	P812 D873 D874	P812-S871 WeakPolarHBondContact CG-O 3.28Å; S871-D873 PolarHBondContact O-N 3.47Å; S871-D874 PolarHBondContact N-OD2 3.03Å; S871-D874 VanDerWaalsContact O-CB 3.27Å; S871-D874 WeakPolarHBondContact O-CB 3.39Å; S871-D874 PolarHBondContact O-N 2.77Å; S871-D874 VanDerWaalsContact O-N 3.07Å; S871-D874 PolarHBondContact OG-OD2 3.17Å
872	K	88	Confident	92	Very high	98 Å²	98	37.2 Å²	37.2	43%	0.426	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.5	134.5	177.7	-174.9	179.1	170.4	174.9	0	112.2	I813 D874	I813-K872 VanDerWaalsContact O-CD 3.29Å; I813-K872 WeakPolarHBondContact O-CD 3.36Å; I813-K872 WeakPolarHBondContact O-CE 3.39Å; I813-K872 WeakPolarHBondContact O-CG 3.38Å; K872-D874 PolarHBondContact O-N 3.37Å
873	D	91.5	Very high	92.4	Very high	96 Å²	96	35.5 Å²	35.5	51%	0.513	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-6	178.4	-49.3	-44	0	0	0	116.7	P812 S871	P812-D873 PolarHBondContact O-N 2.78Å; S871-D873 PolarHBondContact O-N 3.47Å
874	D	95	Very high	92.7	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	20%	0.198	C	C	.	.			trans	-67.2	138.3	168.3	-74.9	-46.6	0	0	0	110.6	P812 F870 S871 K872 K891 N892	P812-D874 WeakPolarHBondContact CD-O 3.49Å; F870-D874 WeakPolarHBondContact CA-OD2 3.46Å; F870-D874 HydrophobicContact CB-CB 4.03Å; S871-D874 PolarHBondContact N-OD2 3.03Å; S871-D874 VanDerWaalsContact O-CB 3.27Å; S871-D874 WeakPolarHBondContact O-CB 3.39Å; S871-D874 PolarHBondContact O-N 2.77Å; S871-D874 VanDerWaalsContact O-N 3.07Å; S871-D874 PolarHBondContact OG-OD2 3.17Å; K872-D874 PolarHBondContact O-N 3.37Å; D874-K891 WeakPolarHBondContact OD1-CE 3.47Å; D874-K891 IonicContact OD1-NZ 2.77Å; D874-K891 WeakPolarHBondContact OD2-CE 3.3Å; D874-K891 IonicContact OD2-NZ 3.78Å; D874-K891 PolarHBondContact OD2-NZ 2.89Å; D874-N892 WeakPolarHBondContact CA-OD1 3.5Å; D874-N892 PolarHBondContact OD1-ND2 3.21Å
875	V	97.4	Very high	93.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.191	C	C	.	.			trans	-103.4	123.1	178.3	-176.2	0	0	0	0	110.2	E809 K891 N892 K936 Y937	E809-V875 HydrophobicContact CB-CG1 3.94Å; E809-V875 HydrophobicContact CG-CG1 3.88Å; V875-K891 WeakPolarHBondContact O-CA 3.32Å; V875-N892 PolarHBondContact N-OD1 3.27Å; V875-N892 PolarHBondContact O-N 2.79Å; V875-K936 HydrophobicContact CG2-CB 4.25Å; V875-K936 HydrophobicContact CG2-CD 3.75Å; V875-K936 HydrophobicContact CG2-CG 4.3Å; V875-Y937 HydrophobicContact CB-CD2 3.6Å; V875-Y937 HydrophobicContact CB-CE2 3.69Å; V875-Y937 HydrophobicContact CG1-CD2 3.89Å; V875-Y937 HydrophobicContact CG1-CE2 4.45Å; V875-Y937 HydrophobicContact CG2-CD2 3.95Å; V875-Y937 HydrophobicContact CG2-CE2 3.68Å
876	I	98.1	Very high	93.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.6	176.8	-53.7	-52.8	0	0	0	109.5	E809 V810 W819 V821 Y841 F870 S890 K891	E809-I876 WeakPolarHBondContact CA-O 3.4Å; V810-I876 PolarHBondContact N-O 2.8Å; V810-I876 PolarHBondContact O-N 2.92Å; W819-I876 HydrophobicContact CH2-CG1 4.11Å; W819-I876 HydrophobicContact CZ3-CG1 4.1Å; V821-I876 HydrophobicContact CG1-CG2 3.95Å; Y841-I876 HydrophobicContact CD1-CG2 3.96Å; Y841-I876 HydrophobicContact CE1-CD1 4.42Å; Y841-I876 HydrophobicContact CE1-CG2 3.88Å; F870-I876 HydrophobicContact CB-CD1 3.78Å; F870-I876 HydrophobicContact CB-CG1 4.5Å; F870-I876 HydrophobicContact CD1-CD1 3.32Å; F870-I876 HydrophobicContact CD1-CG1 3.83Å; F870-I876 HydrophobicContact CE1-CD1 3.97Å; F870-I876 HydrophobicContact CE1-CG1 4.05Å; F870-I876 HydrophobicContact CG-CD1 3.69Å; F870-I876 HydrophobicContact CG-CG1 4.09Å; F870-I876 HydrophobicContact CZ-CG1 4.43Å; I876-S890 WeakPolarHBondContact CA-O 3.37Å; I876-K891 HydrophobicContact CD1-CB 4.08Å; I876-K891 HydrophobicContact CD1-CG 4.04Å
877	G	98.4	Very high	93.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.1	172.2	0	0	0	0	0	110.5	Y807 W889 S890	Y807-G877 WeakPolarHBondContact OH-CA 3.48Å; G877-W889 CarbonylContact O-C 3.57Å; G877-W889 WeakPolarHBondContact O-CA 3.27Å; G877-S890 WeakPolarHBondContact CA-OG 3.43Å; G877-S890 PolarHBondContact N-O 2.84Å; G877-S890 VanDerWaalsContact N-O 3.09Å; G877-S890 PolarHBondContact N-OG 2.7Å; G877-S890 PolarHBondContact O-N 3.3Å
878	C	98.5	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.8	-176.7	-62.4	0	0	0	0	110.2	Y807 F808 V821 W889	Y807-C878 WeakPolarHBondContact CA-O 3.22Å; F808-C878 HydrophobicContact CD1-CB 3.61Å; F808-C878 HydrophobicContact CD2-CB 4.38Å; F808-C878 HydrophobicContact CE1-CB 3.26Å; F808-C878 HydrophobicContact CE2-CB 4.09Å; F808-C878 HydrophobicContact CG-CB 4.16Å; F808-C878 HydrophobicContact CZ-CB 3.52Å; F808-C878 PolarHBondContact N-O 3.25Å; F808-C878 PolarHBondContact O-N 3.14Å; V821-C878 VanDerWaalsContact CG2-SG 3.54Å; C878-W889 VanDerWaalsContact SG-CD1 3.52Å
879	F	98.5	Very high	94.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.2	-172.3	-59.4	-106.3	0	0	0	110.7	Y807 W823 K888 S890 E895 P939 W943	Y807-F879 AromaticContact CD2-CD1 3.88Å; Y807-F879 HydrophobicContact CD2-CD1 3.88Å; Y807-F879 HydrophobicContact CD2-CD2 4.23Å; Y807-F879 AromaticContact CD2-CE1 3.81Å; Y807-F879 HydrophobicContact CD2-CE1 3.81Å; Y807-F879 HydrophobicContact CD2-CE2 4.14Å; Y807-F879 HydrophobicContact CD2-CG 4.1Å; Y807-F879 AromaticContact CD2-CZ 3.94Å; Y807-F879 HydrophobicContact CD2-CZ 3.94Å; Y807-F879 HydrophobicContact CE2-CD1 4.34Å; Y807-F879 HydrophobicContact CE2-CD2 4.18Å; Y807-F879 AromaticContact CE2-CE1 3.91Å; Y807-F879 HydrophobicContact CE2-CE1 3.91Å; Y807-F879 AromaticContact CE2-CE2 3.7Å; Y807-F879 HydrophobicContact CE2-CE2 3.7Å; Y807-F879 HydrophobicContact CE2-CG 4.48Å; Y807-F879 AromaticContact CE2-CZ 3.56Å; Y807-F879 HydrophobicContact CE2-CZ 3.56Å; W823-F879 PolarHBondContact NE1-O 3.17Å; F879-K888 HydrophobicContact CB-CG 3.58Å; F879-K888 WeakPolarHBondContact CB-O 3.4Å; F879-K888 HydrophobicContact CD2-CG 4.04Å; F879-K888 WeakPolarHBondContact CD2-O 3.47Å; F879-K888 HydrophobicContact CG-CG 3.86Å; F879-K888 PolarHBondContact N-O 2.83Å; F879-K888 PolarHBondContact O-N 3.44Å; F879-S890 WeakPolarHBondContact CE2-OG 3.49Å; F879-E895 HydrophobicContact CZ-CG 4.07Å; F879-P939 HydrophobicContact CE1-CB 3.67Å; F879-P939 HydrophobicContact CE1-CG 3.74Å; F879-P939 HydrophobicContact CZ-CB 4.13Å; F879-P939 HydrophobicContact CZ-CG 4.32Å; F879-W943 HydrophobicContact CB-CE3 4.45Å; F879-W943 HydrophobicContact CB-CH2 3.84Å; F879-W943 HydrophobicContact CB-CZ3 3.74Å; F879-W943 AromaticContact CD1-CD2 3.8Å; F879-W943 HydrophobicContact CD1-CD2 3.8Å; F879-W943 AromaticContact CD1-CE2 3.7Å; F879-W943 AromaticContact CD1-CE3 3.77Å; F879-W943 HydrophobicContact CD1-CE3 3.77Å; F879-W943 AromaticContact CD1-CH2 3.67Å; F879-W943 HydrophobicContact CD1-CH2 3.67Å; F879-W943 AromaticContact CD1-CZ2 3.65Å; F879-W943 HydrophobicContact CD1-CZ2 3.65Å; F879-W943 AromaticContact CD1-CZ3 3.72Å; F879-W943 HydrophobicContact CD1-CZ3 3.72Å; F879-W943 HydrophobicContact CE1-CD2 4.28Å; F879-W943 HydrophobicContact CE1-CZ2 4.34Å; F879-W943 HydrophobicContact CG-CH2 4.23Å; F879-W943 HydrophobicContact CG-CZ3 4.23Å
880	L	97.6	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	107.7	171.4	175.1	65.6	0	0	0	109.3	I800 R805 F806 W823 T882 I887 I902 L915	I800-L880 HydrophobicContact CB-CD2 3.98Å; I800-L880 HydrophobicContact CG1-CD2 4.42Å; I800-L880 HydrophobicContact CG2-CD2 4.01Å; R805-L880 WeakPolarHBondContact CA-O 3.45Å; F806-L880 PolarHBondContact N-O 3.22Å; F806-L880 PolarHBondContact O-N 3.32Å; W823-L880 HydrophobicContact CD2-CB 4.13Å; W823-L880 HydrophobicContact CD2-CD2 4.14Å; W823-L880 HydrophobicContact CE3-CB 4.46Å; W823-L880 HydrophobicContact CE3-CD2 3.8Å; W823-L880 HydrophobicContact CH2-CB 3.83Å; W823-L880 HydrophobicContact CH2-CD2 4.09Å; W823-L880 HydrophobicContact CZ2-CB 3.44Å; W823-L880 VanDerWaalsContact CZ2-CB 3.44Å; W823-L880 HydrophobicContact CZ2-CD2 4.42Å; W823-L880 HydrophobicContact CZ3-CB 4.32Å; W823-L880 HydrophobicContact CZ3-CD2 3.76Å; L880-T882 HydrophobicContact CD1-CG2 4.2Å; L880-T882 HydrophobicContact CD2-CG2 4.01Å; L880-T882 HydrophobicContact CG-CG2 3.8Å; L880-I887 HydrophobicContact CD1-CD1 4.31Å; L880-I887 HydrophobicContact CD1-CG1 3.85Å; L880-I902 HydrophobicContact CD1-CD1 3.71Å; L880-L915 HydrophobicContact CD1-CD1 3.75Å; L880-L915 HydrophobicContact CD2-CB 4.19Å; L880-L915 HydrophobicContact CD2-CD1 4.21Å
881	D	95.6	Very high	95.2	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	105.9	171.3	-167.1	-29	0	0	0	109.1	R805 I883 E884 H885 T886 W943	R805-D881 HydrophobicContact CG-CB 4.21Å; R805-D881 WeakPolarHBondContact CG-OD2 3.31Å; R805-D881 IonicContact CZ-OD2 3.53Å; R805-D881 IonicContact NE-OD2 3.47Å; R805-D881 PolarHBondContact NE-OD2 3.2Å; R805-D881 IonicContact NH2-OD2 3.49Å; D881-I883 VanDerWaalsContact C-N 3.34Å; D881-I883 WeakPolarHBondContact OD1-CA 3.19Å; D881-I883 VanDerWaalsContact OD1-CB 3.32Å; D881-I883 WeakPolarHBondContact OD1-CB 3.35Å; D881-I883 PolarHBondContact OD1-N 3.29Å; D881-E884 HydrophobicContact CB-CB 4.5Å; D881-E884 PolarHBondContact OD1-N 3.13Å; D881-H885 CarbonylContact O-C 3.44Å; D881-H885 WeakPolarHBondContact O-CA 3.27Å; D881-H885 PolarHBondContact O-N 2.91Å; D881-T886 PolarHBondContact N-O 2.83Å; D881-T886 PolarHBondContact O-N 2.95Å; D881-W943 HydrophobicContact CB-CH2 4.18Å
882	T	92.2	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-5.8	179.1	61.9	0	0	0	0	112.8	I800 G802 L803 G804 F806 L880 H885 L912	I800-T882 HydrophobicContact CG2-CG2 4.27Å; G802-T882 PolarHBondContact O-OG1 3.07Å; G802-T882 VanDerWaalsContact O-OG1 3.07Å; L803-T882 VanDerWaalsContact CA-OG1 3.25Å; L803-T882 WeakPolarHBondContact CA-OG1 3.35Å; L803-T882 WeakPolarHBondContact CD2-O 3.42Å; G804-T882 PolarHBondContact N-OG1 2.84Å; G804-T882 PolarHBondContact O-N 3.29Å; G804-T882 PolarHBondContact O-OG1 3.21Å; F806-T882 HydrophobicContact CD2-CG2 4.39Å; F806-T882 HydrophobicContact CE2-CG2 4.37Å; L880-T882 HydrophobicContact CD1-CG2 4.2Å; L880-T882 HydrophobicContact CD2-CG2 4.01Å; L880-T882 HydrophobicContact CG-CG2 3.8Å; T882-H885 PolarHBondContact O-CE1 3.19Å; T882-H885 PolarHBondContact O-ND1 2.96Å; T882-L912 HydrophobicContact CG2-CD2 3.48Å; T882-L912 VanDerWaalsContact CG2-CD2 3.48Å
883	I	91.6	Very high	96.1	Very high	88 Å²	88	27 Å²	27	45%	0.451	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-52.5	175	-56.3	171.8	0	0	0	109.2	D881 H885	D881-I883 VanDerWaalsContact C-N 3.34Å; D881-I883 WeakPolarHBondContact OD1-CA 3.19Å; D881-I883 VanDerWaalsContact OD1-CB 3.32Å; D881-I883 WeakPolarHBondContact OD1-CB 3.35Å; D881-I883 PolarHBondContact OD1-N 3.29Å; I883-H885 VanDerWaalsContact C-N 3.29Å
884	E	92.7	Very high	96.4	Very high	114 Å²	114	27.5 Å²	27.5	53%	0.533	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.5	176.6	-61.7	-59.6	148.2	0	0	112.6	D881 T886 Q901	D881-E884 HydrophobicContact CB-CB 4.5Å; D881-E884 PolarHBondContact OD1-N 3.13Å; E884-T886 HydrophobicContact CB-CG2 4.47Å; E884-Q901 PolarHBondContact O-NE2 2.71Å
885	H	93.1	Very high	96.4	Very high	58 Å²	58	30.5 Å²	30.5	27%	0.269	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	43.9	178.6	-49.3	-42.7	0	0	0	113	D881 T882 I883 Q901 I902 L907	D881-H885 CarbonylContact O-C 3.44Å; D881-H885 WeakPolarHBondContact O-CA 3.27Å; D881-H885 PolarHBondContact O-N 2.91Å; T882-H885 PolarHBondContact O-CE1 3.19Å; T882-H885 PolarHBondContact O-ND1 2.96Å; I883-H885 VanDerWaalsContact C-N 3.29Å; H885-Q901 CarbonylContact O-C 3.46Å; H885-Q901 WeakPolarHBondContact O-CA 3.27Å; H885-Q901 PolarHBondContact O-NE2 3.49Å; H885-I902 HydrophobicContact CB-CB 4.18Å; H885-I902 PolarHBondContact O-N 2.97Å; H885-L907 HydrophobicContact CB-CD1 4.17Å; H885-L907 VanDerWaalsContact CE1-CD2 3.42Å; H885-L907 WeakPolarHBondContact CE1-CD2 3.5Å; H885-L907 VanDerWaalsContact ND1-CD2 3.3Å; H885-L907 WeakPolarHBondContact ND1-CD2 3.48Å
886	T	96.6	Very high	96.3	Very high	15 Å²	15	31.7 Å²	31.7	9%	0.092	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.7	-179.6	63.4	0	0	0	0	113.1	D881 E884 D898 Y900	D881-T886 PolarHBondContact N-O 2.83Å; D881-T886 PolarHBondContact O-N 2.95Å; E884-T886 HydrophobicContact CB-CG2 4.47Å; T886-D898 HydrophobicContact CG2-CB 4.5Å; T886-Y900 VanDerWaalsContact CA-O 3.31Å; T886-Y900 WeakPolarHBondContact CA-O 3.08Å
887	I	98	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.5	170.6	-56.7	175.7	0	0	0	108.1	W823 F839 L880 W889 A899 Y900 I902	W823-I887 HydrophobicContact CB-CD1 4.42Å; F839-I887 HydrophobicContact CB-CD1 3.88Å; F839-I887 HydrophobicContact CD1-CD1 4.33Å; F839-I887 HydrophobicContact CD2-CD1 3.66Å; F839-I887 HydrophobicContact CE2-CD1 4.3Å; F839-I887 HydrophobicContact CG-CD1 3.69Å; L880-I887 HydrophobicContact CD1-CD1 4.31Å; L880-I887 HydrophobicContact CD1-CG1 3.85Å; I887-W889 HydrophobicContact CB-CH2 4.5Å; I887-W889 HydrophobicContact CG2-CE3 4.39Å; I887-W889 HydrophobicContact CG2-CH2 3.36Å; I887-W889 HydrophobicContact CG2-CZ2 3.81Å; I887-W889 HydrophobicContact CG2-CZ3 3.7Å; I887-A899 PolarHBondContact O-N 3.38Å; I887-Y900 HydrophobicContact CB-CD2 4.32Å; I887-Y900 HydrophobicContact CG2-CD2 4.46Å; I887-Y900 PolarHBondContact N-O 3.08Å; I887-Y900 PolarHBondContact O-N 3.12Å; I887-Y900 VanDerWaalsContact O-N 3.15Å; I887-I902 HydrophobicContact CD1-CG1 4.17Å; I887-I902 HydrophobicContact CG1-CD1 4.29Å; I887-I902 HydrophobicContact CG1-CG1 4.04Å
888	K	97.7	Very high	96	Very high	30 Å²	30	38.7 Å²	38.7	13%	0.13	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	170.5	177.2	69.9	177.9	-175.5	174.7	0	112.1	F879 E895	F879-K888 HydrophobicContact CB-CG 3.58Å; F879-K888 WeakPolarHBondContact CB-O 3.4Å; F879-K888 HydrophobicContact CD2-CG 4.04Å; F879-K888 WeakPolarHBondContact CD2-O 3.47Å; F879-K888 HydrophobicContact CG-CG 3.86Å; F879-K888 PolarHBondContact N-O 2.83Å; F879-K888 PolarHBondContact O-N 3.44Å; K888-E895 IonicContact NZ-OE2 3.64Å; K888-E895 PolarHBondContact NZ-OE2 2.9Å
889	W	98.4	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.6	179	-68.3	-94.4	0	0	0	112.2	Y841 Y866 G877 C878 I887 F896 A899 Y900	Y841-W889 VanDerWaalsContact CB-CE2 3.42Å; Y841-W889 HydrophobicContact CD1-CB 3.55Å; Y841-W889 AromaticContact CD1-CD1 3.55Å; Y841-W889 AromaticContact CD1-CD2 3.99Å; Y841-W889 HydrophobicContact CD1-CD2 3.99Å; Y841-W889 AromaticContact CD1-CG 3.39Å; Y841-W889 HydrophobicContact CD1-CG 3.39Å; Y841-W889 HydrophobicContact CE1-CB 3.83Å; Y841-W889 HydrophobicContact CE1-CG 4.18Å; Y841-W889 HydrophobicContact CG-CB 4.15Å; Y841-W889 AromaticContact CG-CD2 3.9Å; Y841-W889 HydrophobicContact CG-CD2 3.9Å; Y841-W889 HydrophobicContact CG-CE3 4.31Å; Y841-W889 AromaticContact CG-CG 3.81Å; Y841-W889 HydrophobicContact CG-CG 3.81Å; Y866-W889 HydrophobicContact CE1-CB 4.29Å; Y866-W889 AromaticContact CE1-CE3 3.77Å; Y866-W889 HydrophobicContact CE1-CE3 3.77Å; Y866-W889 PolarHBondContact OH-N 3.13Å; G877-W889 CarbonylContact O-C 3.57Å; G877-W889 WeakPolarHBondContact O-CA 3.27Å; C878-W889 VanDerWaalsContact SG-CD1 3.52Å; I887-W889 HydrophobicContact CB-CH2 4.5Å; I887-W889 HydrophobicContact CG2-CE3 4.39Å; I887-W889 HydrophobicContact CG2-CH2 3.36Å; I887-W889 HydrophobicContact CG2-CZ2 3.81Å; I887-W889 HydrophobicContact CG2-CZ3 3.7Å; W889-F896 HydrophobicContact CB-CD2 4.23Å; W889-F896 WeakPolarHBondContact O-CB 3.28Å; W889-F896 VanDerWaalsContact O-CD2 3.23Å; W889-F896 WeakPolarHBondContact O-CD2 3.01Å; W889-F896 PolarHBondContact O-N 2.99Å; W889-A899 HydrophobicContact CE3-CB 3.78Å; W889-A899 HydrophobicContact CZ3-CB 3.44Å; W889-A899 VanDerWaalsContact CZ3-CB 3.44Å; W889-Y900 AromaticContact CH2-CD2 3.76Å; W889-Y900 HydrophobicContact CH2-CD2 3.76Å; W889-Y900 AromaticContact CH2-CE2 3.54Å; W889-Y900 HydrophobicContact CH2-CE2 3.54Å; W889-Y900 AromaticContact CZ3-CD2 3.66Å; W889-Y900 HydrophobicContact CZ3-CD2 3.66Å; W889-Y900 AromaticContact CZ3-CE2 3.53Å; W889-Y900 HydrophobicContact CZ3-CE2 3.53Å
890	S	97.9	Very high	95.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.9	168.9	68.3	0	0	0	0	110.5	I876 G877 F879 L894	I876-S890 WeakPolarHBondContact CA-O 3.37Å; G877-S890 WeakPolarHBondContact CA-OG 3.43Å; G877-S890 PolarHBondContact N-O 2.84Å; G877-S890 VanDerWaalsContact N-O 3.09Å; G877-S890 PolarHBondContact N-OG 2.7Å; G877-S890 PolarHBondContact O-N 3.3Å; F879-S890 WeakPolarHBondContact CE2-OG 3.49Å; S890-L894 WeakPolarHBondContact CA-O 3.39Å; S890-L894 WeakPolarHBondContact CB-O 3.48Å
891	K	97.1	Very high	95.7	Very high	36 Å²	36	45.7 Å²	45.7	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.1	167.3	-179.9	-171.2	177.2	-176.2	0	109	E868 A869 F870 D874 V875 I876 G893 L894 F896	E868-K891 HydrophobicContact CB-CD 4.22Å; A869-K891 WeakPolarHBondContact O-CD 3.25Å; A869-K891 WeakPolarHBondContact O-CE 3.34Å; A869-K891 PolarHBondContact O-NZ 3.3Å; F870-K891 HydrophobicContact CB-CD 4.4Å; D874-K891 WeakPolarHBondContact OD1-CE 3.47Å; D874-K891 IonicContact OD1-NZ 2.77Å; D874-K891 WeakPolarHBondContact OD2-CE 3.3Å; D874-K891 IonicContact OD2-NZ 3.78Å; D874-K891 PolarHBondContact OD2-NZ 2.89Å; V875-K891 WeakPolarHBondContact O-CA 3.32Å; I876-K891 HydrophobicContact CD1-CB 4.08Å; I876-K891 HydrophobicContact CD1-CG 4.04Å; K891-G893 PolarHBondContact O-N 2.87Å; K891-L894 PolarHBondContact N-O 3.02Å; K891-L894 WeakPolarHBondContact O-CB 3.43Å; K891-L894 PolarHBondContact O-N 2.8Å; K891-F896 HydrophobicContact CB-CE2 4.19Å; K891-F896 HydrophobicContact CB-CZ 3.62Å
892	N	97.4	Very high	95.4	Very high	55 Å²	55	45.6 Å²	45.6	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.5	179.5	-58.2	-33.5	0	0	0	113	D874 V875 L894 Y937	D874-N892 WeakPolarHBondContact CA-OD1 3.5Å; D874-N892 PolarHBondContact OD1-ND2 3.21Å; V875-N892 PolarHBondContact N-OD1 3.27Å; V875-N892 PolarHBondContact O-N 2.79Å; N892-L894 VanDerWaalsContact C-N 3.28Å; N892-L894 PolarHBondContact O-N 2.96Å; N892-Y937 VanDerWaalsContact C-CD1 3.49Å; N892-Y937 HydrophobicContact CB-CE1 4.39Å; N892-Y937 HydrophobicContact CB-CE2 4.05Å; N892-Y937 WeakPolarHBondContact O-CD1 3.48Å; N892-Y937 WeakPolarHBondContact O-CE1 3.32Å
893	G	95.7	Very high	95.2	Very high	40 Å²	40	47.4 Å²	47.4	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-8.7	-178	0	0	0	0	0	115.7	K891 E895	K891-G893 PolarHBondContact O-N 2.87Å; G893-E895 PolarHBondContact O-N 2.77Å
894	L	96.6	Very high	94.8	Very high	107 Å²	107	47.6 Å²	47.6	56%	0.56	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	105.7	174.2	-172	72.3	0	0	0	109.9	S890 K891 N892	S890-L894 WeakPolarHBondContact CA-O 3.39Å; S890-L894 WeakPolarHBondContact CB-O 3.48Å; K891-L894 PolarHBondContact N-O 3.02Å; K891-L894 WeakPolarHBondContact O-CB 3.43Å; K891-L894 PolarHBondContact O-N 2.8Å; N892-L894 VanDerWaalsContact C-N 3.28Å; N892-L894 PolarHBondContact O-N 2.96Å
895	E	95.4	Very high	94.3	Very high	85 Å²	85	48.9 Å²	48.9	40%	0.397	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.1	178.5	-62	-172.2	-176.6	0	0	112.4	F879 K888 G893	F879-E895 HydrophobicContact CZ-CG 4.07Å; K888-E895 IonicContact NZ-OE2 3.64Å; K888-E895 PolarHBondContact NZ-OE2 2.9Å; G893-E895 PolarHBondContact O-N 2.77Å
896	F	95.8	Very high	93.8	Very high	25 Å²	25	46.9 Å²	46.9	11%	0.11	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-89.9	169.2	167.3	-50.5	-46.3	0	0	0	110.5	Y841 Y866 E868 W889 K891	Y841-F896 HydrophobicContact CE1-CE2 4.05Å; Y841-F896 HydrophobicContact CE2-CE2 4.48Å; Y841-F896 AromaticContact CZ-CE2 3.68Å; Y841-F896 WeakPolarHBondContact OH-CE2 3.32Å; Y866-F896 HydrophobicContact CE1-CB 4.18Å; Y866-F896 HydrophobicContact CE1-CD2 4.01Å; Y866-F896 HydrophobicContact CE2-CB 4.05Å; Y866-F896 WeakPolarHBondContact OH-CB 3.18Å; E868-F896 HydrophobicContact CB-CE1 4.31Å; E868-F896 HydrophobicContact CB-CZ 4.03Å; E868-F896 HydrophobicContact CG-CE1 3.95Å; E868-F896 HydrophobicContact CG-CZ 4.19Å; W889-F896 HydrophobicContact CB-CD2 4.23Å; W889-F896 WeakPolarHBondContact O-CB 3.28Å; W889-F896 VanDerWaalsContact O-CD2 3.23Å; W889-F896 WeakPolarHBondContact O-CD2 3.01Å; W889-F896 PolarHBondContact O-N 2.99Å; K891-F896 HydrophobicContact CB-CE2 4.19Å; K891-F896 HydrophobicContact CB-CZ 3.62Å
897	G	93.9	Very high	92.8	Very high	53 Å²	53	48.4 Å²	48.4	55%	0.546	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-64.2	173	172.9	0	0	0	0	0	112.5	Y866 A899	Y866-G897 WeakPolarHBondContact CE2-O 3.38Å; Y866-G897 VanDerWaalsContact CZ-O 3.23Å; Y866-G897 PolarHBondContact OH-O 3.31Å; G897-A899 PolarHBondContact O-N 3.23Å
898	D	96.3	Very high	91.3	Very high	95 Å²	95	54.2 Å²	54.2	51%	0.508	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-62.6	129.7	176.5	-64.1	-38	0	0	0	111.1	T886	T886-D898 HydrophobicContact CG2-CB 4.5Å
899	A	96.2	Very high	89.2	Confident	2 Å²	2	58.8 Å²	58.8	2%	0.017	34%	0.335	C	S	.	.			trans	-92	-36.4	179.8	0	0	0	0	0	112.4	R857 Y866 I887 W889 G897	R857-A899 PolarHBondContact NH1-O 2.85Å; Y866-A899 HydrophobicContact CD1-CB 4.21Å; Y866-A899 HydrophobicContact CD2-CB 3.98Å; Y866-A899 HydrophobicContact CE1-CB 3.81Å; Y866-A899 HydrophobicContact CE2-CB 3.55Å; Y866-A899 HydrophobicContact CG-CB 4.28Å; Y866-A899 VanDerWaalsContact CZ-CB 3.44Å; I887-A899 PolarHBondContact O-N 3.38Å; W889-A899 HydrophobicContact CE3-CB 3.78Å; W889-A899 HydrophobicContact CZ3-CB 3.44Å; W889-A899 VanDerWaalsContact CZ3-CB 3.44Å; G897-A899 PolarHBondContact O-N 3.23Å
900	Y	96.3	Very high	87.5	Confident	26 Å²	26	67.7 Å²	67.7	10%	0.102	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.3	-177.9	-57	-75.8	0	0	0	111.6	F839 G840 R857 I858 H859 T886 I887 W889	F839-Y900 HydrophobicContact CB-CD2 3.96Å; F839-Y900 HydrophobicContact CB-CE2 4.03Å; F839-Y900 HydrophobicContact CD1-CD1 4.05Å; F839-Y900 HydrophobicContact CD1-CD2 4.14Å; F839-Y900 HydrophobicContact CD1-CE1 4.5Å; F839-Y900 AromaticContact CD1-CG 3.83Å; F839-Y900 HydrophobicContact CD1-CG 3.83Å; F839-Y900 HydrophobicContact CG-CD2 4.47Å; G840-Y900 PolarHBondContact O-OH 2.99Å; R857-Y900 WeakPolarHBondContact CA-OH 3.48Å; R857-Y900 HydrophobicContact CB-CE1 4.45Å; R857-Y900 HydrophobicContact CB-CE2 4.13Å; R857-Y900 WeakPolarHBondContact CB-OH 3.29Å; R857-Y900 HydrophobicContact CG-CE1 4.39Å; I858-Y900 WeakPolarHBondContact CA-OH 3.11Å; I858-Y900 PolarHBondContact N-OH 2.82Å; I858-Y900 PolarHBondContact O-OH 3.19Å; I858-Y900 VanDerWaalsContact O-OH 3.1Å; H859-Y900 HydrophobicContact CB-CE1 3.72Å; T886-Y900 VanDerWaalsContact CA-O 3.31Å; T886-Y900 WeakPolarHBondContact CA-O 3.08Å; I887-Y900 HydrophobicContact CB-CD2 4.32Å; I887-Y900 HydrophobicContact CG2-CD2 4.46Å; I887-Y900 PolarHBondContact N-O 3.08Å; I887-Y900 PolarHBondContact O-N 3.12Å; I887-Y900 VanDerWaalsContact O-N 3.15Å; W889-Y900 AromaticContact CH2-CD2 3.76Å; W889-Y900 HydrophobicContact CH2-CD2 3.76Å; W889-Y900 AromaticContact CH2-CE2 3.54Å; W889-Y900 HydrophobicContact CH2-CE2 3.54Å; W889-Y900 AromaticContact CZ3-CD2 3.66Å; W889-Y900 HydrophobicContact CZ3-CD2 3.66Å; W889-Y900 AromaticContact CZ3-CE2 3.53Å; W889-Y900 HydrophobicContact CZ3-CE2 3.53Å
901	Q	94.4	Very high	85.9	Confident	121 Å²	121	71.8 Å²	71.8	57%	0.565	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.8	159	-160	71.5	26.8	0	0	107.9	E884 H885 P903	E884-Q901 PolarHBondContact O-NE2 2.71Å; H885-Q901 CarbonylContact O-C 3.46Å; H885-Q901 WeakPolarHBondContact O-CA 3.27Å; H885-Q901 PolarHBondContact O-NE2 3.49Å; Q901-P903 WeakPolarHBondContact O-CD 3.39Å
902	I	90.4	Very high	85	Confident	6 Å²	6	71 Å²	71	3%	0.031	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-66.9	123.9	179.2	-58.4	173.8	0	0	0	108.5	L880 H885 I887 L906 L907 L915	L880-I902 HydrophobicContact CD1-CD1 3.71Å; H885-I902 HydrophobicContact CB-CB 4.18Å; H885-I902 PolarHBondContact O-N 2.97Å; I887-I902 HydrophobicContact CD1-CG1 4.17Å; I887-I902 HydrophobicContact CG1-CD1 4.29Å; I887-I902 HydrophobicContact CG1-CG1 4.04Å; I902-L906 HydrophobicContact CG2-CB 4.06Å; I902-L906 HydrophobicContact CG2-CD1 4.34Å; I902-L907 HydrophobicContact CG2-CG 4.38Å; I902-L915 HydrophobicContact CD1-CD1 4.35Å
903	P	88	Confident	84.7	Confident	37 Å²	37	70.2 Å²	70.2	24%	0.24	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-58.4	145.5	179.7	-24.4	32.6	0	0	0	113	F839 Q901 E905 L906	F839-P903 HydrophobicContact CE1-CG 4.46Å; F839-P903 HydrophobicContact CZ-CG 4.18Å; Q901-P903 WeakPolarHBondContact O-CD 3.39Å; P903-E905 WeakPolarHBondContact CB-OE2 3.28Å; P903-E905 PolarHBondContact O-N 3.08Å; P903-L906 PolarHBondContact O-N 2.88Å; P903-L906 VanDerWaalsContact O-N 3.08Å
904	S	82.5	Confident	84.6	Confident	93 Å²	93	68.6 Å²	68.6	65%	0.65	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.3	-176.3	-20.3	0	0	0	0	112.5	L906 L907	S904-L906 VanDerWaalsContact C-N 3.26Å; S904-L906 PolarHBondContact O-N 3.35Å; S904-L907 CarbonylContact O-C 3.53Å; S904-L907 WeakPolarHBondContact O-CB 3.28Å; S904-L907 PolarHBondContact O-N 2.73Å; S904-L907 VanDerWaalsContact O-N 3.14Å
905	E	82.4	Confident	84.6	Confident	140 Å²	140	63.5 Å²	63.5	65%	0.654	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.6	178.3	-49	82.3	-168.3	0	0	112.2	P903 L907 H908	P903-E905 WeakPolarHBondContact CB-OE2 3.28Å; P903-E905 PolarHBondContact O-N 3.08Å; E905-L907 VanDerWaalsContact C-N 3.3Å; E905-H908 PolarHBondContact O-CE1 3.06Å; E905-H908 PolarHBondContact O-ND1 3.04Å
906	L	82.5	Confident	84.7	Confident	16 Å²	16	59.6 Å²	59.6	8%	0.084	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.2	174.7	-62.7	-179.9	0	0	0	111.8	T825 F839 I902 P903 S904 H908 T913	T825-L906 HydrophobicContact CG2-CD2 3.95Å; F839-L906 HydrophobicContact CE2-CD1 3.9Å; F839-L906 HydrophobicContact CZ-CD1 3.92Å; I902-L906 HydrophobicContact CG2-CB 4.06Å; I902-L906 HydrophobicContact CG2-CD1 4.34Å; P903-L906 PolarHBondContact O-N 2.88Å; P903-L906 VanDerWaalsContact O-N 3.08Å; S904-L906 VanDerWaalsContact C-N 3.26Å; S904-L906 PolarHBondContact O-N 3.35Å; L906-H908 PolarHBondContact O-N 2.83Å; L906-T913 HydrophobicContact CD2-CG2 4.21Å; L906-T913 PolarHBondContact O-N 3.4Å; L906-T913 PolarHBondContact O-OG1 3.12Å
907	L	75.9	Confident	84.8	Confident	47 Å²	47	58.4 Å²	58.4	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	76.3	177.1	-64.9	164.6	0	0	0	110.6	H885 I902 S904 E905 L912	H885-L907 HydrophobicContact CB-CD1 4.17Å; H885-L907 VanDerWaalsContact CE1-CD2 3.42Å; H885-L907 WeakPolarHBondContact CE1-CD2 3.5Å; H885-L907 VanDerWaalsContact ND1-CD2 3.3Å; H885-L907 WeakPolarHBondContact ND1-CD2 3.48Å; I902-L907 HydrophobicContact CG2-CG 4.38Å; S904-L907 CarbonylContact O-C 3.53Å; S904-L907 WeakPolarHBondContact O-CB 3.28Å; S904-L907 PolarHBondContact O-N 2.73Å; S904-L907 VanDerWaalsContact O-N 3.14Å; E905-L907 VanDerWaalsContact C-N 3.3Å; L907-L912 HydrophobicContact CD2-CD1 3.31Å; L907-L912 HydrophobicContact CG-CD1 4.15Å
908	H	67.6	Low	85	Confident	122 Å²	122	55.9 Å²	55.9	57%	0.565	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	143	174.9	-66	70.8	0	0	0	110.8	E905 L906 K910 N911 T913	E905-H908 PolarHBondContact O-CE1 3.06Å; E905-H908 PolarHBondContact O-ND1 3.04Å; L906-H908 PolarHBondContact O-N 2.83Å; H908-K910 PolarHBondContact O-N 3.09Å; H908-N911 WeakPolarHBondContact CB-O 3.44Å; H908-N911 PolarHBondContact O-N 2.89Å; H908-N911 VanDerWaalsContact O-N 3.17Å; H908-T913 PolarHBondContact ND1-OG1 2.84Å
909	S	53.2	Low	85	Confident	127 Å²	127	51.4 Å²	51.4	89%	0.888	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-8.5	-174.1	66.9	0	0	0	0	116.9
910	K	61.6	Low	85.1	Confident	186 Å²	186	51.3 Å²	51.3	81%	0.809	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-17.5	178.6	-68.7	-171.1	177.6	-176.9	0	115.3	H908	H908-K910 PolarHBondContact O-N 3.09Å
911	N	65.1	Low	85	Confident	89 Å²	89	50.1 Å²	50.1	48%	0.476	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	135.9	179.4	-81	-47.9	0	0	0	109.7	H908	H908-N911 WeakPolarHBondContact CB-O 3.44Å; H908-N911 PolarHBondContact O-N 2.89Å; H908-N911 VanDerWaalsContact O-N 3.17Å
912	L	78.4	Confident	84.7	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.099	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	143.2	171.9	-172.6	77.4	0	0	0	109.5	R801 T882 L907 A914	R801-L912 WeakPolarHBondContact CB-O 3.49Å; R801-L912 VanDerWaalsContact O-CB 3.27Å; R801-L912 WeakPolarHBondContact O-CB 3.43Å; R801-L912 PolarHBondContact O-N 2.86Å; T882-L912 HydrophobicContact CG2-CD2 3.48Å; T882-L912 VanDerWaalsContact CG2-CD2 3.48Å; L907-L912 HydrophobicContact CD2-CD1 3.31Å; L907-L912 HydrophobicContact CG-CD1 4.15Å; L912-A914 PolarHBondContact O-N 3.22Å
913	T	90	Very high	84.4	Confident	39 Å²	39	45.3 Å²	45.3	24%	0.239	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-61.4	129.7	166	-53.6	0	0	0	0	108.6	T825 L906 H908 L915	T825-T913 HydrophobicContact CG2-CG2 3.87Å; L906-T913 HydrophobicContact CD2-CG2 4.21Å; L906-T913 PolarHBondContact O-N 3.4Å; L906-T913 PolarHBondContact O-OG1 3.12Å; H908-T913 PolarHBondContact ND1-OG1 2.84Å; T913-L915 PolarHBondContact O-N 2.9Å
914	A	93.8	Very high	84.5	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.041	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-64	127.6	-173.8	0	0	0	0	0	112	I800 R801 L912 Y916 K955	I800-A914 CarbonylContact O-C 3.53Å; I800-A914 WeakPolarHBondContact O-CA 3.41Å; R801-A914 HydrophobicContact CB-CB 4.03Å; L912-A914 PolarHBondContact O-N 3.22Å; A914-Y916 HydrophobicContact CB-CD2 4.46Å; A914-Y916 HydrophobicContact CB-CE2 3.65Å; A914-K955 HydrophobicContact CB-CB 3.74Å; A914-K955 HydrophobicContact CB-CD 3.47Å; A914-K955 VanDerWaalsContact CB-CD 3.47Å; A914-K955 HydrophobicContact CB-CG 4.22Å
915	L	96	Very high	84.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.8	175	-71.8	174	0	0	0	110.2	G799 I800 W823 T825 F839 L880 I902 T913	G799-L915 CarbonylContact C-O 3.24Å; G799-L915 VanDerWaalsContact CA-O 3.24Å; G799-L915 WeakPolarHBondContact CA-O 3.36Å; I800-L915 PolarHBondContact N-O 2.87Å; I800-L915 PolarHBondContact O-N 2.84Å; W823-L915 HydrophobicContact CB-CB 4.32Å; W823-L915 HydrophobicContact CB-CD2 4.48Å; W823-L915 HydrophobicContact CE3-CB 4.28Å; T825-L915 HydrophobicContact CG2-CD2 3.94Å; F839-L915 HydrophobicContact CE2-CD2 4.39Å; L880-L915 HydrophobicContact CD1-CD1 3.75Å; L880-L915 HydrophobicContact CD2-CB 4.19Å; L880-L915 HydrophobicContact CD2-CD1 4.21Å; I902-L915 HydrophobicContact CD1-CD1 4.35Å; T913-L915 PolarHBondContact O-N 2.9Å
916	Y	97.6	Very high	85.6	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	-176	-65.6	-101.5	0	0	0	109.6	H798 G799 W823 S824 D826 A914 T918 K955 R956	H798-Y916 VanDerWaalsContact C-CE1 3.41Å; H798-Y916 VanDerWaalsContact O-CD1 3.26Å; H798-Y916 WeakPolarHBondContact O-CD1 3.22Å; G799-Y916 VanDerWaalsContact N-CD1 3.33Å; W823-Y916 WeakPolarHBondContact CA-O 3.38Å; S824-Y916 PolarHBondContact N-O 2.85Å; S824-Y916 PolarHBondContact O-N 2.91Å; D826-Y916 HydrophobicContact CB-CE2 4.04Å; A914-Y916 HydrophobicContact CB-CD2 4.46Å; A914-Y916 HydrophobicContact CB-CE2 3.65Å; Y916-T918 PolarHBondContact O-N 2.82Å; Y916-T918 PolarHBondContact O-OG1 2.69Å; Y916-K955 WeakPolarHBondContact CE1-O 3.31Å; Y916-K955 WeakPolarHBondContact OH-CD 3.19Å; Y916-K955 WeakPolarHBondContact OH-CG 3.27Å; Y916-K955 PolarHBondContact OH-O 3Å; Y916-R956 PolarHBondContact OH-O 2.88Å
917	P	98.2	Very high	86.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.2	126.2	161	-29.6	34	0	0	0	110.7	W763 S796 F808 W823 F930	W763-P917 HydrophobicContact CZ3-CG 4.12Å; S796-P917 PolarHBondContact N-O 3.09Å; S796-P917 WeakPolarHBondContact OG-CB 3.23Å; S796-P917 WeakPolarHBondContact OG-CD 3.32Å; S796-P917 PolarHBondContact OG-O 2.86Å; F808-P917 HydrophobicContact CD1-CB 4.28Å; F808-P917 HydrophobicContact CD1-CG 4.09Å; F808-P917 HydrophobicContact CE1-CB 3.82Å; F808-P917 HydrophobicContact CE1-CG 3.96Å; F808-P917 HydrophobicContact CE2-CB 4.06Å; F808-P917 HydrophobicContact CZ-CB 3.71Å; F808-P917 HydrophobicContact CZ-CG 4.37Å; W823-P917 HydrophobicContact CE3-CG 4.28Å; W823-P917 HydrophobicContact CH2-CG 4.32Å; W823-P917 HydrophobicContact CZ3-CG 3.79Å; P917-F930 HydrophobicContact CB-CE1 3.77Å; P917-F930 HydrophobicContact CG-CE1 4.06Å
918	T	98.2	Very high	87.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	140.3	-171.2	-52.2	0	0	0	0	109.8	C794 R795 V821 G822 S824 I832 Y916	C794-T918 WeakPolarHBondContact O-CA 3.35Å; R795-T918 HydrophobicContact CG-CG2 3.77Å; R795-T918 WeakPolarHBondContact CG-OG1 3.41Å; V821-T918 WeakPolarHBondContact CA-O 3.16Å; G822-T918 PolarHBondContact N-O 2.74Å; G822-T918 PolarHBondContact O-N 3.41Å; S824-T918 WeakPolarHBondContact CB-OG1 3.39Å; S824-T918 PolarHBondContact N-OG1 3.09Å; S824-T918 PolarHBondContact OG-OG1 3.35Å; I832-T918 HydrophobicContact CB-CG2 4.21Å; I832-T918 HydrophobicContact CD1-CG2 4.1Å; I832-T918 HydrophobicContact CG1-CG2 4.35Å; Y916-T918 PolarHBondContact O-N 2.82Å; Y916-T918 PolarHBondContact O-OG1 2.69Å
919	V	97.9	Very high	88.5	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.5	174.7	-65.4	0	0	0	0	110.2	M765 V783 G793 C794 R820 V821 V926 L928	M765-V919 HydrophobicContact CE-CG2 3.63Å; V783-V919 HydrophobicContact CG2-CG2 3.72Å; G793-V919 VanDerWaalsContact CA-O 3.28Å; G793-V919 WeakPolarHBondContact CA-O 2.94Å; C794-V919 HydrophobicContact CB-CG2 4.41Å; C794-V919 PolarHBondContact N-O 2.62Å; C794-V919 PolarHBondContact O-N 2.79Å; R820-V919 CarbonylContact O-C 3.6Å; R820-V919 WeakPolarHBondContact O-CA 3.36Å; V821-V919 HydrophobicContact CB-CG1 4.33Å; V821-V919 HydrophobicContact CG2-CG1 4.03Å; V919-V926 HydrophobicContact CG1-CG2 4.39Å; V919-L928 HydrophobicContact CG1-CD2 3.99Å
920	S	96.5	Very high	90.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.5	169.8	-46.5	0	0	0	0	109.6	W791 Q792 W819 R820 L830 I831 I832	W791-S920 WeakPolarHBondContact CZ3-O 3.39Å; Q792-S920 CarbonylContact O-C 3.51Å; Q792-S920 WeakPolarHBondContact O-CA 3.48Å; W819-S920 CarbonylContact C-O 3.53Å; W819-S920 VanDerWaalsContact CA-O 3.29Å; W819-S920 WeakPolarHBondContact CA-O 3.43Å; R820-S920 PolarHBondContact N-O 2.99Å; R820-S920 PolarHBondContact O-N 2.88Å; L830-S920 PolarHBondContact O-OG 2.89Å; I831-S920 WeakPolarHBondContact CA-OG 3.49Å; I832-S920 WeakPolarHBondContact CG2-OG 3.46Å; I832-S920 PolarHBondContact N-OG 3.38Å
921	L	94.2	Very high	91.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.2	-169	-53.3	177.6	0	0	0	110.5	L774 V783 S785 W791 Q792 L818 W819 V926	L774-L921 HydrophobicContact CD1-CD1 4.47Å; V783-L921 HydrophobicContact CB-CD1 4.3Å; V783-L921 HydrophobicContact CG2-CD1 3.76Å; V783-L921 WeakPolarHBondContact O-CD1 3.4Å; S785-L921 WeakPolarHBondContact OG-CB 3.14Å; W791-L921 WeakPolarHBondContact CA-O 3.38Å; Q792-L921 PolarHBondContact N-O 2.84Å; Q792-L921 PolarHBondContact O-N 2.95Å; L818-L921 CarbonylContact O-C 3.56Å; W819-L921 HydrophobicContact CB-CD2 3.64Å; L921-V926 HydrophobicContact CD1-CG2 4.15Å; L921-V926 HydrophobicContact CD2-CB 4.45Å; L921-V926 HydrophobicContact CD2-CG1 3.61Å; L921-V926 HydrophobicContact CD2-CG2 3.93Å
922	L	88.5	Confident	92.6	Very high	12 Å²	12	12.5 Å²	12.5	6%	0.063	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	111.3	171.4	173.8	70.4	0	0	0	108	M494 G790 W791 G817 L818 S924	M494-L922 HydrophobicContact CE-CD1 3.56Å; M494-L922 HydrophobicContact CE-CD2 4.44Å; G790-L922 VanDerWaalsContact O-CD1 3.3Å; G790-L922 WeakPolarHBondContact O-CD1 2.77Å; W791-L922 HydrophobicContact CD2-CB 4.14Å; W791-L922 HydrophobicContact CE3-CB 4.29Å; G817-L922 CarbonylContact C-O 3.54Å; G817-L922 WeakPolarHBondContact CA-O 3.5Å; L818-L922 HydrophobicContact CB-CB 4.2Å; L818-L922 HydrophobicContact CB-CD2 4.24Å; L818-L922 HydrophobicContact CD1-CD2 4.07Å; L818-L922 HydrophobicContact CG-CD2 4.29Å; L818-L922 PolarHBondContact N-O 2.84Å; L818-L922 PolarHBondContact O-N 3.4Å; L922-S924 VanDerWaalsContact C-N 3.25Å; L922-S924 PolarHBondContact O-N 3.13Å
923	N	84.6	Confident	92.7	Very high	15 Å²	15	15.3 Å²	15.3	8%	0.08	8%	0.083	C	C	.	.	S	Bend	trans	54.8	38.5	179.3	-57.1	-22.8	0	0	0	113.4	P504 S785 F787 N788 T816 G817	P504-N923 WeakPolarHBondContact CG-ND2 3.37Å; S785-N923 PolarHBondContact OG-N 2.92Å; F787-N923 WeakPolarHBondContact CA-OD1 3.49Å; F787-N923 HydrophobicContact CD1-CB 3.8Å; F787-N923 HydrophobicContact CE1-CB 4.02Å; N788-N923 PolarHBondContact N-OD1 2.91Å; T816-N923 CarbonylContact C-O 3.55Å; G817-N923 WeakPolarHBondContact CA-O 3.25Å
924	S	89.5	Confident	92.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.11	C	C	.	.			trans	-144.8	167	-173.9	-154.7	0	0	0	0	113	S785 E814 T816 L922	S785-S924 PolarHBondContact N-O 2.77Å; S785-S924 PolarHBondContact OG-N 2.96Å; S785-S924 PolarHBondContact OG-O 2.83Å; E814-S924 VanDerWaalsContact OE2-C 3.29Å; E814-S924 WeakPolarHBondContact OE2-CA 3.43Å; T816-S924 WeakPolarHBondContact O-CB 3.2Å; T816-S924 PolarHBondContact O-OG 2.96Å; L922-S924 VanDerWaalsContact C-N 3.25Å; L922-S924 PolarHBondContact O-N 3.13Å
925	T	92.3	Very high	92.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.2	178.3	-51.1	0	0	0	0	110.3	F563 V783 Q784 I813 E814	F563-T925 HydrophobicContact CE1-CG2 4.46Å; V783-T925 WeakPolarHBondContact O-CA 3.19Å; Q784-T925 HydrophobicContact CG-CG2 3.76Å; Q784-T925 WeakPolarHBondContact CG-OG1 3.26Å; Q784-T925 PolarHBondContact NE2-OG1 2.9Å; I813-T925 HydrophobicContact CB-CG2 4.33Å; I813-T925 HydrophobicContact CD1-CG2 3.89Å; I813-T925 HydrophobicContact CG1-CG2 4.3Å; I813-T925 PolarHBondContact N-O 2.99Å; E814-T925 PolarHBondContact OE1-OG1 3.28Å; E814-T925 PolarHBondContact OE2-N 3.37Å; E814-T925 VanDerWaalsContact OE2-N 3.1Å; E814-T925 PolarHBondContact OE2-OG1 3.09Å
926	V	95.2	Very high	92.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.1	174.6	-56.2	0	0	0	0	111.8	Q782 V783 V810 T811 P812 W819 V919 L921 L928	Q782-V926 VanDerWaalsContact CA-O 3.25Å; Q782-V926 WeakPolarHBondContact CA-O 3.39Å; V783-V926 HydrophobicContact CG2-CG2 3.44Å; V783-V926 VanDerWaalsContact CG2-CG2 3.44Å; V783-V926 PolarHBondContact N-O 3.31Å; V783-V926 PolarHBondContact O-N 3.09Å; V783-V926 VanDerWaalsContact O-N 3.07Å; V810-V926 HydrophobicContact CG1-CB 3.91Å; V810-V926 HydrophobicContact CG1-CG1 4.37Å; V810-V926 HydrophobicContact CG1-CG2 4.11Å; T811-V926 CarbonylContact O-C 3.49Å; T811-V926 WeakPolarHBondContact O-CA 3.28Å; P812-V926 HydrophobicContact CB-CG1 4.46Å; W819-V926 HydrophobicContact CD2-CG1 4.35Å; W819-V926 HydrophobicContact CE3-CG1 3.9Å; V919-V926 HydrophobicContact CG1-CG2 4.39Å; L921-V926 HydrophobicContact CD1-CG2 4.15Å; L921-V926 HydrophobicContact CD2-CB 4.45Å; L921-V926 HydrophobicContact CD2-CG1 3.61Å; L921-V926 HydrophobicContact CD2-CG2 3.93Å; V926-L928 HydrophobicContact CG2-CD1 4.06Å
927	E	95.7	Very high	92.3	Very high	60 Å²	60	30.4 Å²	30.4	28%	0.28	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142	166.3	-173.5	174.5	-174.4	0	0	109.7	S781 Q782 V810 T811 I813 K933	S781-E927 CarbonylContact O-C 3.54Å; S781-E927 WeakPolarHBondContact O-CA 3.47Å; Q782-E927 HydrophobicContact CG-CB 4Å; Q782-E927 HydrophobicContact CG-CG 4.04Å; V810-E927 CarbonylContact C-O 3.32Å; V810-E927 WeakPolarHBondContact CA-O 3.24Å; T811-E927 PolarHBondContact N-O 3.14Å; T811-E927 PolarHBondContact O-N 3.25Å; I813-E927 HydrophobicContact CD1-CB 3.91Å; I813-E927 HydrophobicContact CG1-CB 4.21Å; E927-K933 IonicContact OE1-NZ 3.38Å; E927-K933 PolarHBondContact OE1-NZ 3.03Å
928	L	96.6	Very high	92	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.2	175	-62.6	91.2	0	0	0	110.1	M765 S781 V783 F808 E809 V810 V919 V926 F930	M765-L928 HydrophobicContact CG-CD1 3.69Å; M765-L928 HydrophobicContact CG-CD2 4.21Å; M765-L928 HydrophobicContact CG-CG 4.47Å; M765-L928 HydrophobicContact SD-CD1 4.04Å; M765-L928 HydrophobicContact SD-CD2 3.48Å; M765-L928 WeakPolarHBondContact SD-CD2 3.36Å; M765-L928 HydrophobicContact SD-CG 4.35Å; S781-L928 PolarHBondContact O-N 2.8Å; V783-L928 HydrophobicContact CG2-CD1 4.04Å; F808-L928 HydrophobicContact CE2-CD2 4.26Å; E809-L928 WeakPolarHBondContact O-CA 3.4Å; V810-L928 HydrophobicContact CG1-CG 4.44Å; V810-L928 HydrophobicContact CG2-CD2 4Å; V810-L928 HydrophobicContact CG2-CG 3.95Å; V919-L928 HydrophobicContact CG1-CD2 3.99Å; V926-L928 HydrophobicContact CG2-CD1 4.06Å; L928-F930 HydrophobicContact CB-CE2 4.02Å; L928-F930 HydrophobicContact CB-CZ 3.99Å; L928-F930 HydrophobicContact CD2-CE1 4.16Å; L928-F930 HydrophobicContact CD2-CZ 3.79Å
929	N	95.5	Very high	91.7	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	118.1	168.8	-177.5	0.3	0	0	0	108.7	F808 E809 G931 K933 P934 F935	F808-N929 WeakPolarHBondContact CB-O 3.18Å; E809-N929 HydrophobicContact CB-CB 4.32Å; E809-N929 PolarHBondContact N-O 2.88Å; E809-N929 PolarHBondContact O-N 2.63Å; N929-G931 WeakPolarHBondContact OD1-CA 3.27Å; N929-G931 PolarHBondContact OD1-N 3.46Å; N929-K933 PolarHBondContact ND2-O 3.39Å; N929-K933 PolarHBondContact OD1-O 3.47Å; N929-P934 PolarHBondContact ND2-O 2.95Å; N929-F935 HydrophobicContact CB-CD1 4.34Å; N929-F935 HydrophobicContact CB-CE1 4.28Å; N929-F935 WeakPolarHBondContact ND2-CD1 3.44Å; N929-F935 WeakPolarHBondContact O-CE1 3.39Å
930	F	95.6	Very high	91.3	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	20%	0.196	C	C	.	.			trans	-94	-1.3	179.6	-64.7	-67.7	0	0	0	113.2	W763 M765 F808 P917 L928 V946 C947	W763-F930 HydrophobicContact CB-CB 3.71Å; W763-F930 HydrophobicContact CB-CD1 4.46Å; W763-F930 HydrophobicContact CB-CD2 4.04Å; W763-F930 HydrophobicContact CB-CG 3.82Å; W763-F930 HydrophobicContact CE3-CD1 4.33Å; W763-F930 WeakPolarHBondContact O-CD2 3.4Å; M765-F930 HydrophobicContact CG-CZ 4.43Å; M765-F930 HydrophobicContact SD-CZ 3.82Å; F808-F930 HydrophobicContact CB-CD1 4.28Å; F808-F930 HydrophobicContact CD2-CE1 4.43Å; P917-F930 HydrophobicContact CB-CE1 3.77Å; P917-F930 HydrophobicContact CG-CE1 4.06Å; L928-F930 HydrophobicContact CB-CE2 4.02Å; L928-F930 HydrophobicContact CB-CZ 3.99Å; L928-F930 HydrophobicContact CD2-CE1 4.16Å; L928-F930 HydrophobicContact CD2-CZ 3.79Å; F930-V946 HydrophobicContact CB-CG2 3.81Å; F930-V946 HydrophobicContact CD1-CG2 3.71Å; F930-V946 HydrophobicContact CG-CG2 4.23Å; F930-V946 WeakPolarHBondContact O-CG2 3.39Å; F930-V946 PolarHBondContact O-N 3.39Å; F930-C947 HydrophobicContact CB-CB 4.44Å; F930-C947 WeakPolarHBondContact O-CB 3.39Å; F930-C947 PolarHBondContact O-N 2.85Å; F930-C947 VanDerWaalsContact O-N 3.07Å; F930-C947 PolarHBondContact O-SG 2.98Å; F930-C947 VanDerWaalsContact O-SG 3.32Å
931	G	90.4	Very high	91	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	23%	0.233	C	C	.	.	S	Bend	trans	107.9	2.1	-178.4	0	0	0	0	0	114.7	N929 C947	N929-G931 WeakPolarHBondContact OD1-CA 3.27Å; N929-G931 PolarHBondContact OD1-N 3.46Å; G931-C947 WeakPolarHBondContact CA-SG 3.48Å; G931-C947 PolarHBondContact O-SG 3.09Å; G931-C947 VanDerWaalsContact O-SG 3.4Å
932	D	79	Confident	90.9	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	26%	0.262	S	S	.	.	S	Bend	trans	-76.5	-16.7	172.9	62.4	-36.3	0	0	0	112.4	R764	R764-D932 IonicContact CZ-OD2 3.77Å; R764-D932 IonicContact NH1-OD1 3.49Å; R764-D932 IonicContact NH1-OD2 3.71Å; R764-D932 PolarHBondContact NH1-OD2 3.28Å; R764-D932 IonicContact NH2-OD2 3.62Å; R764-D932 PolarHBondContact NH2-OD2 2.95Å
933	K	81	Confident	91.3	Very high	77 Å²	77	50 Å²	50	34%	0.335	26%	0.264	S	S	.	.	S	Bend	trans	-115	153	164.9	-56.4	177.9	-168.1	170.4	0	109.2	E927 N929 F935	E927-K933 IonicContact OE1-NZ 3.38Å; E927-K933 PolarHBondContact OE1-NZ 3.03Å; N929-K933 PolarHBondContact ND2-O 3.39Å; N929-K933 PolarHBondContact OD1-O 3.47Å; K933-F935 PolarHBondContact O-N 2.88Å
934	P	83.8	Confident	91.8	Very high	127 Å²	127	51.5 Å²	51.5	83%	0.825	27%	0.274	S	S	*	.			trans	-52.1	131.6	173.1	-25.6	34.3	0	0	0	111.8	N929	N929-P934 PolarHBondContact ND2-O 2.95Å
935	F	93.7	Very high	92.1	Very high	32 Å²	32	52.5 Å²	52.5	14%	0.14	28%	0.28	C	S	.	.			trans	-70.3	148.5	174	-70.4	-54	0	0	0	111.4	Y807 E809 N929 K933 Y938 P945	Y807-F935 HydrophobicContact CD1-CD1 4.49Å; Y807-F935 HydrophobicContact CD1-CD2 4.05Å; Y807-F935 HydrophobicContact CD1-CE1 4.24Å; Y807-F935 AromaticContact CD1-CE2 3.72Å; Y807-F935 HydrophobicContact CD1-CE2 3.72Å; Y807-F935 HydrophobicContact CD1-CG 4.4Å; Y807-F935 AromaticContact CD1-CZ 3.84Å; Y807-F935 HydrophobicContact CD1-CZ 3.84Å; Y807-F935 HydrophobicContact CE1-CD1 4.09Å; Y807-F935 HydrophobicContact CE1-CD2 4.09Å; Y807-F935 HydrophobicContact CE1-CE1 4.23Å; Y807-F935 HydrophobicContact CE1-CE2 4.17Å; Y807-F935 HydrophobicContact CE1-CG 4.02Å; Y807-F935 HydrophobicContact CE1-CZ 4.26Å; E809-F935 HydrophobicContact CB-CD1 4.06Å; E809-F935 HydrophobicContact CB-CE1 4.33Å; E809-F935 HydrophobicContact CG-CD1 3.68Å; E809-F935 HydrophobicContact CG-CE1 4.18Å; E809-F935 HydrophobicContact CG-CG 4.41Å; E809-F935 WeakPolarHBondContact OE2-CA 3.42Å; N929-F935 HydrophobicContact CB-CD1 4.34Å; N929-F935 HydrophobicContact CB-CE1 4.28Å; N929-F935 WeakPolarHBondContact ND2-CD1 3.44Å; N929-F935 WeakPolarHBondContact O-CE1 3.39Å; K933-F935 PolarHBondContact O-N 2.88Å; F935-Y938 AromaticContact CD2-CD2 3.51Å; F935-Y938 HydrophobicContact CD2-CD2 3.51Å; F935-Y938 HydrophobicContact CD2-CE2 4.17Å; F935-Y938 HydrophobicContact CD2-CG 4.29Å; F935-Y938 HydrophobicContact CE2-CD2 4.07Å; F935-Y938 HydrophobicContact CE2-CE2 4.33Å; F935-Y938 HydrophobicContact CG-CD2 4.48Å; F935-P945 HydrophobicContact CE2-CB 3.67Å; F935-P945 HydrophobicContact CE2-CG 3.83Å; F935-P945 HydrophobicContact CZ-CB 3.96Å
936	K	95.3	Very high	92.3	Very high	127 Å²	127	52.5 Å²	52.5	55%	0.552	28%	0.28	S	S	*	.	S	Bend	trans	-79.2	-32	176	-171.3	162.4	154.6	-164.4	0	111.5	E809 V875	E809-K936 PolarHBondContact OE2-N 3.34Å; V875-K936 HydrophobicContact CG2-CB 4.25Å; V875-K936 HydrophobicContact CG2-CD 3.75Å; V875-K936 HydrophobicContact CG2-CG 4.3Å
937	Y	96.3	Very high	92.1	Very high	79 Å²	79	54.2 Å²	54.2	31%	0.31	29%	0.292	S	S	.	.	S	Bend	trans	-135	59.9	179.7	-60.3	-77.7	0	0	0	111.6	Y807 E809 V875 N892 P939	Y807-Y937 PolarHBondContact OH-O 3.04Å; Y807-Y937 VanDerWaalsContact OH-O 3.09Å; E809-Y937 VanDerWaalsContact OE1-C 3.26Å; E809-Y937 WeakPolarHBondContact OE1-CA 3.37Å; E809-Y937 PolarHBondContact OE1-N 2.77Å; V875-Y937 HydrophobicContact CB-CD2 3.6Å; V875-Y937 HydrophobicContact CB-CE2 3.69Å; V875-Y937 HydrophobicContact CG1-CD2 3.89Å; V875-Y937 HydrophobicContact CG1-CE2 4.45Å; V875-Y937 HydrophobicContact CG2-CD2 3.95Å; V875-Y937 HydrophobicContact CG2-CE2 3.68Å; N892-Y937 VanDerWaalsContact C-CD1 3.49Å; N892-Y937 HydrophobicContact CB-CE1 4.39Å; N892-Y937 HydrophobicContact CB-CE2 4.05Å; N892-Y937 WeakPolarHBondContact O-CD1 3.48Å; N892-Y937 WeakPolarHBondContact O-CE1 3.32Å; Y937-P939 WeakPolarHBondContact O-CD 3.38Å
938	Y	93	Very high	91.8	Very high	105 Å²	105	55.2 Å²	55.2	41%	0.412	31%	0.305	S	S	.	.			trans	-60.8	124.9	176.8	-173.2	-127.5	0	0	0	111.5	F935 G940 W943 P945	F935-Y938 AromaticContact CD2-CD2 3.51Å; F935-Y938 HydrophobicContact CD2-CD2 3.51Å; F935-Y938 HydrophobicContact CD2-CE2 4.17Å; F935-Y938 HydrophobicContact CD2-CG 4.29Å; F935-Y938 HydrophobicContact CE2-CD2 4.07Å; F935-Y938 HydrophobicContact CE2-CE2 4.33Å; F935-Y938 HydrophobicContact CG-CD2 4.48Å; Y938-G940 VanDerWaalsContact CE1-C 3.42Å; Y938-G940 WeakPolarHBondContact CE1-O 3.13Å; Y938-G940 PolarHBondContact O-N 2.9Å; Y938-G940 PolarHBondContact OH-O 2.83Å; Y938-W943 PolarHBondContact OH-O 2.79Å; Y938-P945 HydrophobicContact CE2-CG 4.32Å
939	P	91.5	Very high	91.6	Very high	42 Å²	42	55.6 Å²	55.6	27%	0.273	31%	0.308	S	S	.	.			trans	-75.1	-9.8	-175.7	28.6	-36.5	0	0	0	114.3	Y807 F879 Y937 W943	Y807-P939 HydrophobicContact CD1-CG 4.29Å; Y807-P939 HydrophobicContact CD2-CG 3.91Å; Y807-P939 HydrophobicContact CE1-CG 4.45Å; Y807-P939 HydrophobicContact CE2-CG 4.09Å; Y807-P939 HydrophobicContact CG-CG 4.01Å; F879-P939 HydrophobicContact CE1-CB 3.67Å; F879-P939 HydrophobicContact CE1-CG 3.74Å; F879-P939 HydrophobicContact CZ-CB 4.13Å; F879-P939 HydrophobicContact CZ-CG 4.32Å; Y937-P939 WeakPolarHBondContact O-CD 3.38Å; P939-W943 HydrophobicContact CB-CG 4.27Å; P939-W943 HydrophobicContact CG-CB 3.75Å; P939-W943 HydrophobicContact CG-CD2 4.45Å; P939-W943 HydrophobicContact CG-CG 3.67Å
940	G	89.9	Confident	91.3	Very high	16 Å²	16	57.1 Å²	57.1	17%	0.165	32%	0.319	C	S	.	.			trans	119.7	178.7	176.5	0	0	0	0	0	114.1	Y938 D942 W943	Y938-G940 VanDerWaalsContact CE1-C 3.42Å; Y938-G940 WeakPolarHBondContact CE1-O 3.13Å; Y938-G940 PolarHBondContact O-N 2.9Å; Y938-G940 PolarHBondContact OH-O 2.83Å; G940-D942 VanDerWaalsContact C-N 3.25Å; G940-D942 PolarHBondContact O-N 2.97Å; G940-D942 VanDerWaalsContact O-N 3.17Å; G940-W943 PolarHBondContact O-N 2.99Å
941	P	89.1	Confident	90.9	Very high	121 Å²	121	62 Å²	62	79%	0.786	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.4	-166.2	27	-35.5	0	0	0	115.2	W943	P941-W943 PolarHBondContact O-N 2.77Å
942	D	93.4	Very high	90.8	Very high	114 Å²	114	67.1 Å²	67.1	61%	0.61	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.1	177.8	-67	-21	0	0	0	113.2	R805 G940	R805-D942 WeakPolarHBondContact CB-O 3.39Å; G940-D942 VanDerWaalsContact C-N 3.25Å; G940-D942 PolarHBondContact O-N 2.97Å; G940-D942 VanDerWaalsContact O-N 3.17Å
943	W	96.2	Very high	91.4	Very high	26 Å²	26	65.1 Å²	65.1	10%	0.098	36%	0.361	C	S	.	.	S	Bend	trans	-110.4	123.1	-179.3	-68.6	91.8	0	0	0	110.4	R805 F879 D881 Y938 P939 G940 P941	R805-W943 HydrophobicContact CB-CD2 4.04Å; R805-W943 HydrophobicContact CB-CE3 3.64Å; R805-W943 HydrophobicContact CB-CH2 4.41Å; R805-W943 HydrophobicContact CB-CZ3 3.83Å; R805-W943 HydrophobicContact CG-CE3 4.4Å; R805-W943 HydrophobicContact CG-CH2 4.34Å; R805-W943 HydrophobicContact CG-CZ3 4.2Å; F879-W943 HydrophobicContact CB-CE3 4.45Å; F879-W943 HydrophobicContact CB-CH2 3.84Å; F879-W943 HydrophobicContact CB-CZ3 3.74Å; F879-W943 AromaticContact CD1-CD2 3.8Å; F879-W943 HydrophobicContact CD1-CD2 3.8Å; F879-W943 AromaticContact CD1-CE2 3.7Å; F879-W943 AromaticContact CD1-CE3 3.77Å; F879-W943 HydrophobicContact CD1-CE3 3.77Å; F879-W943 AromaticContact CD1-CH2 3.67Å; F879-W943 HydrophobicContact CD1-CH2 3.67Å; F879-W943 AromaticContact CD1-CZ2 3.65Å; F879-W943 HydrophobicContact CD1-CZ2 3.65Å; F879-W943 AromaticContact CD1-CZ3 3.72Å; F879-W943 HydrophobicContact CD1-CZ3 3.72Å; F879-W943 HydrophobicContact CE1-CD2 4.28Å; F879-W943 HydrophobicContact CE1-CZ2 4.34Å; F879-W943 HydrophobicContact CG-CH2 4.23Å; F879-W943 HydrophobicContact CG-CZ3 4.23Å; D881-W943 HydrophobicContact CB-CH2 4.18Å; Y938-W943 PolarHBondContact OH-O 2.79Å; P939-W943 HydrophobicContact CB-CG 4.27Å; P939-W943 HydrophobicContact CG-CB 3.75Å; P939-W943 HydrophobicContact CG-CD2 4.45Å; P939-W943 HydrophobicContact CG-CG 3.67Å; G940-W943 PolarHBondContact O-N 2.99Å; P941-W943 PolarHBondContact O-N 2.77Å
944	T	95.3	Very high	92	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.294	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.8	179.7	-53	0	0	0	0	109.7	R805 F806 Y807 V946 C948	R805-T944 WeakPolarHBondContact O-CB 3.29Å; R805-T944 PolarHBondContact O-N 2.9Å; F806-T944 CarbonylContact C-O 3.56Å; F806-T944 VanDerWaalsContact CA-O 3.26Å; F806-T944 WeakPolarHBondContact CA-O 3.47Å; Y807-T944 PolarHBondContact N-O 2.79Å; T944-V946 PolarHBondContact O-N 2.83Å; T944-C948 HydrophobicContact CG2-CB 4.11Å
945	P	95.4	Very high	92.4	Very high	21 Å²	21	60 Å²	60	14%	0.136	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	135.2	167.5	-18.7	27.7	0	0	0	110	F935 Y938 C947 C948 A949	F935-P945 HydrophobicContact CE2-CB 3.67Å; F935-P945 HydrophobicContact CE2-CG 3.83Å; F935-P945 HydrophobicContact CZ-CB 3.96Å; Y938-P945 HydrophobicContact CE2-CG 4.32Å; P945-C947 PolarHBondContact O-N 2.86Å; P945-C947 VanDerWaalsContact O-N 3.11Å; P945-C948 HydrophobicContact CB-CB 4.4Å; P945-C948 PolarHBondContact O-N 2.97Å; P945-A949 PolarHBondContact O-N 2.95Å
946	V	96	Very high	92.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-57.6	-32.1	-176.4	-68.2	0	0	0	0	112.6	W763 I800 F806 Y807 F808 W823 F930 T944 C948 A949	W763-V946 HydrophobicContact CD2-CB 4.36Å; W763-V946 HydrophobicContact CD2-CG2 4.2Å; W763-V946 HydrophobicContact CE3-CB 4Å; W763-V946 HydrophobicContact CE3-CG2 3.77Å; W763-V946 HydrophobicContact CH2-CB 3.97Å; W763-V946 HydrophobicContact CZ2-CB 4.3Å; W763-V946 WeakPolarHBondContact CZ2-O 3.04Å; W763-V946 HydrophobicContact CZ3-CB 3.81Å; W763-V946 HydrophobicContact CZ3-CG1 4.49Å; W763-V946 HydrophobicContact CZ3-CG2 4.02Å; W763-V946 PolarHBondContact NE1-O 2.58Å; I800-V946 HydrophobicContact CD1-CG1 4.39Å; I800-V946 HydrophobicContact CG1-CG1 4.32Å; F806-V946 HydrophobicContact CB-CG1 4.01Å; Y807-V946 PolarHBondContact O-N 2.65Å; F808-V946 HydrophobicContact CB-CG2 3.97Å; W823-V946 HydrophobicContact CH2-CG1 3.82Å; W823-V946 HydrophobicContact CZ3-CG1 4.36Å; F930-V946 HydrophobicContact CB-CG2 3.81Å; F930-V946 HydrophobicContact CD1-CG2 3.71Å; F930-V946 HydrophobicContact CG-CG2 4.23Å; F930-V946 WeakPolarHBondContact O-CG2 3.39Å; F930-V946 PolarHBondContact O-N 3.39Å; T944-V946 PolarHBondContact O-N 2.83Å; V946-C948 PolarHBondContact O-N 2.96Å; V946-A949 VanDerWaalsContact O-CB 3.25Å; V946-A949 WeakPolarHBondContact O-CB 3.5Å; V946-A949 PolarHBondContact O-N 3.43Å; V946-A949 VanDerWaalsContact O-N 3.16Å
947	C	91	Very high	92	Very high	37 Å²	37	58.5 Å²	58.5	25%	0.25	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.7	-23.5	176.1	71	0	0	0	0	114.4	W763 F930 G931 P945	W763-C947 HydrophobicContact CB-CB 4.38Å; W763-C947 VanDerWaalsContact CD1-CA 3.47Å; W763-C947 HydrophobicContact CG-CB 4.2Å; F930-C947 HydrophobicContact CB-CB 4.44Å; F930-C947 WeakPolarHBondContact O-CB 3.39Å; F930-C947 PolarHBondContact O-N 2.85Å; F930-C947 VanDerWaalsContact O-N 3.07Å; F930-C947 PolarHBondContact O-SG 2.98Å; F930-C947 VanDerWaalsContact O-SG 3.32Å; G931-C947 WeakPolarHBondContact CA-SG 3.48Å; G931-C947 PolarHBondContact O-SG 3.09Å; G931-C947 VanDerWaalsContact O-SG 3.4Å; P945-C947 PolarHBondContact O-N 2.86Å; P945-C947 VanDerWaalsContact O-N 3.11Å
948	C	90.2	Very high	91.6	Very high	81 Å²	81	61.8 Å²	61.8	55%	0.547	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-96	3.5	179.3	-62.6	0	0	0	0	112.6	T944 P945 V946	T944-C948 HydrophobicContact CG2-CB 4.11Å; P945-C948 HydrophobicContact CB-CB 4.4Å; P945-C948 PolarHBondContact O-N 2.97Å; V946-C948 PolarHBondContact O-N 2.96Å
949	A	92.2	Very high	91.1	Very high	11 Å²	11	64 Å²	64	9%	0.091	34%	0.338	C	S	.	.	S	Bend	trans	-61	134.6	177.9	0	0	0	0	0	110.8	I800 F806 P945 V946 T954	I800-A949 HydrophobicContact CD1-CB 3.65Å; F806-A949 HydrophobicContact CD1-CB 4.01Å; F806-A949 HydrophobicContact CE1-CB 3.61Å; P945-A949 PolarHBondContact O-N 2.95Å; V946-A949 VanDerWaalsContact O-CB 3.25Å; V946-A949 WeakPolarHBondContact O-CB 3.5Å; V946-A949 PolarHBondContact O-N 3.43Å; V946-A949 VanDerWaalsContact O-N 3.16Å; A949-T954 HydrophobicContact CB-CG2 3.61Å
950	P	89.5	Confident	90	Very high	54 Å²	54	68.3 Å²	68.3	35%	0.351	35%	0.352	S	S	.	.			trans	-56.6	141.7	178.9	-25.2	33.2	0	0	0	111.9	E952 C953 T954	P950-E952 HydrophobicContact CB-CG 4.13Å; P950-E952 WeakPolarHBondContact CB-OE1 3.28Å; P950-E952 PolarHBondContact O-N 2.87Å; P950-E952 VanDerWaalsContact O-N 3.09Å; P950-C953 HydrophobicContact CB-CB 4.47Å; P950-C953 WeakPolarHBondContact O-CA 3.03Å; P950-C953 WeakPolarHBondContact O-CB 3.24Å; P950-C953 PolarHBondContact O-N 2.86Å; P950-T954 PolarHBondContact O-N 2.9Å
951	P	87.4	Confident	88.7	Confident	105 Å²	105	68.5 Å²	68.5	68%	0.682	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-51.2	-38.8	-176.5	-28.4	34.8	0	0	0	113.9	C953 T954	P951-C953 VanDerWaalsContact C-N 3.26Å; P951-C953 PolarHBondContact O-N 3.25Å; P951-T954 PolarHBondContact O-N 2.85Å; P951-T954 VanDerWaalsContact O-N 3.09Å; P951-T954 PolarHBondContact O-OG1 2.74Å
952	E	88.8	Confident	87.1	Confident	126 Å²	126	66.4 Å²	66.4	59%	0.589	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-60.6	-33.4	176.4	59.5	-87.8	-154.8	0	0	113.4	R801 P950 T954	R801-E952 PolarHBondContact NE-O 2.81Å; R801-E952 PolarHBondContact NH2-O 3.29Å; R801-E952 VanDerWaalsContact NH2-O 3.11Å; P950-E952 HydrophobicContact CB-CG 4.13Å; P950-E952 WeakPolarHBondContact CB-OE1 3.28Å; P950-E952 PolarHBondContact O-N 2.87Å; P950-E952 VanDerWaalsContact O-N 3.09Å; E952-T954 VanDerWaalsContact C-N 3.33Å
953	C	91.2	Very high	84.9	Confident	19 Å²	19	69.3 Å²	69.3	13%	0.128	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-84.6	-5	177.9	-65	0	0	0	0	112.9	R801 G802 F806 P950 P951	R801-C953 PolarHBondContact N-O 2.87Å; G802-C953 PolarHBondContact N-O 2.87Å; F806-C953 HydrophobicContact CZ-CB 4.42Å; P950-C953 HydrophobicContact CB-CB 4.47Å; P950-C953 WeakPolarHBondContact O-CA 3.03Å; P950-C953 WeakPolarHBondContact O-CB 3.24Å; P950-C953 PolarHBondContact O-N 2.86Å; P951-C953 VanDerWaalsContact C-N 3.26Å; P951-C953 PolarHBondContact O-N 3.25Å
954	T	92.5	Very high	82.3	Confident	26 Å²	26	78.5 Å²	78.5	16%	0.16	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	155.8	179.7	69.6	0	0	0	0	112.2	W763 G799 R801 A949 P950 P951 E952	W763-T954 HydrophobicContact CZ2-CG2 3.76Å; G799-T954 CarbonylContact O-C 3.52Å; G799-T954 VanDerWaalsContact O-CA 3.3Å; G799-T954 WeakPolarHBondContact O-CA 3.49Å; R801-T954 PolarHBondContact NE-O 3.09Å; A949-T954 HydrophobicContact CB-CG2 3.61Å; P950-T954 PolarHBondContact O-N 2.9Å; P951-T954 PolarHBondContact O-N 2.85Å; P951-T954 VanDerWaalsContact O-N 3.09Å; P951-T954 PolarHBondContact O-OG1 2.74Å; E952-T954 VanDerWaalsContact C-N 3.33Å
955	K	93.1	Very high	79.6	Confident	71 Å²	71	82.4 Å²	82.4	31%	0.309	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.5	172.2	-170.4	-170.4	173.7	-157.7	0	109.6	H798 G799 R801 D826 A914 Y916	H798-K955 CarbonylContact C-O 3.5Å; H798-K955 WeakPolarHBondContact CA-O 3.14Å; G799-K955 PolarHBondContact N-O 2.81Å; G799-K955 PolarHBondContact O-N 3Å; R801-K955 HydrophobicContact CG-CB 4.4Å; D826-K955 IonicContact OD2-NZ 3.35Å; D826-K955 PolarHBondContact OD2-NZ 2.83Å; A914-K955 HydrophobicContact CB-CB 3.74Å; A914-K955 HydrophobicContact CB-CD 3.47Å; A914-K955 VanDerWaalsContact CB-CD 3.47Å; A914-K955 HydrophobicContact CB-CG 4.22Å; Y916-K955 WeakPolarHBondContact CE1-O 3.31Å; Y916-K955 WeakPolarHBondContact OH-CD 3.19Å; Y916-K955 WeakPolarHBondContact OH-CG 3.27Å; Y916-K955 PolarHBondContact OH-O 3Å
956	R	91	Very high	76.6	Confident	121 Å²	121	86.3 Å²	86.3	46%	0.457	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.4	173	-146.2	172.2	-139.8	-138.9	11.2	110.6	H798 Y916	H798-R956 PolarHBondContact NE2-NE 3.46Å; Y916-R956 PolarHBondContact OH-O 2.88Å
957	S	90	Very high	73.5	Confident	6 Å²	6	95.6 Å²	95.6	4%	0.042	46%	0.462	C	S	.	.			trans	-60.4	145.5	178.6	177.3	0	0	0	0	111.5	N797 R959	N797-S957 PolarHBondContact O-N 2.84Å; S957-R959 VanDerWaalsContact C-N 3.28Å; S957-R959 PolarHBondContact OG-N 3.35Å
958	R	86.3	Confident	70.6	Confident	147 Å²	147	97.2 Å²	97.2	56%	0.555	49%	0.485	S	S	*	.	S	Bend	trans	-71.1	-24.3	174.7	-67.8	-167.7	-73	-164.7	-7.7	112.3	D826 D827 K960	D826-R958 IonicContact OD1-CZ 2.93Å; D826-R958 IonicContact OD1-NE 2.69Å; D826-R958 PolarHBondContact OD1-NE 2.65Å; D826-R958 IonicContact OD1-NH2 3.47Å; D826-R958 PolarHBondContact OD1-NH2 2.75Å; D826-R958 WeakPolarHBondContact OD2-CD 3.17Å; D826-R958 WeakPolarHBondContact OD2-CG 3.42Å; D826-R958 IonicContact OD2-CZ 2.71Å; D826-R958 IonicContact OD2-NE 2.92Å; D826-R958 PolarHBondContact OD2-NE 3.34Å; D826-R958 IonicContact OD2-NH2 3.94Å; D826-R958 PolarHBondContact OD2-NH2 2.95Å; D827-R958 VanDerWaalsContact CG-NH2 3.29Å; D827-R958 IonicContact OD1-CZ 2.85Å; D827-R958 IonicContact OD1-NH2 3.87Å; D827-R958 PolarHBondContact OD1-NH2 3.05Å; D827-R958 IonicContact OD2-NH2 3.58Å; D827-R958 PolarHBondContact OD2-NH2 2.92Å; R958-K960 VanDerWaalsContact C-N 3.32Å; R958-K960 PolarHBondContact O-N 2.83Å
959	R	82.6	Confident	67.5	Low	151 Å²	151	104.1 Å²	104.1	57%	0.57	50%	0.499	S	S	*	.			trans	-84.4	71.3	-177.6	-62.9	-99.5	-173.8	-171.1	-0.1	110.3	N766 D769 S957	N766-R959 PolarHBondContact ND2-O 2.91Å; D769-R959 HydrophobicContact CB-CB 3.9Å; D769-R959 HydrophobicContact CB-CG 4.09Å; D769-R959 IonicContact OD1-NE 2.79Å; S957-R959 VanDerWaalsContact C-N 3.28Å; S957-R959 PolarHBondContact OG-N 3.35Å
960	K	69.6	Low	64.7	Low	134 Å²	134	107.5 Å²	107.5	58%	0.583	52%	0.522	S	S	*	.			trans	-78.1	134	175.7	-64.2	-176.6	-179	-178.6	0	109.8	R958	R958-K960 VanDerWaalsContact C-N 3.32Å; R958-K960 PolarHBondContact O-N 2.83Å
961	G	63.1	Low	61.9	Low	20 Å²	20	110.4 Å²	110.4	21%	0.206	53%	0.527	C	S	.	.			trans	-63	175.1	167.9	0	0	0	0	0	113.1	Y768 E963	Y768-G961 VanDerWaalsContact CG-CA 3.49Å; Y768-G961 VanDerWaalsContact CZ-CA 3.46Å; G961-E963 PolarHBondContact O-N 3.09Å
962	P	54.4	Low	59.3	Low	76 Å²	76	110.5 Å²	110.5	49%	0.494	52%	0.521	S	S	.	.			trans	-62.4	122.8	175.8	25.7	-31.8	0	0	0	110.7	R964	P962-R964 PolarHBondContact O-N 3.07Å; P962-R964 VanDerWaalsContact O-N 3.15Å
963	E	47.2	Very low	56.8	Low	175 Å²	175	107.9 Å²	107.9	82%	0.818	51%	0.511	S	S	*	.	S	Bend	trans	-65.1	-15.6	179.7	-69.2	-176.6	164.4	0	0	113.4	G961	G961-E963 PolarHBondContact O-N 3.09Å
964	R	40.7	Very low	54.1	Low	220 Å²	220	110.1 Å²	110.1	83%	0.83	53%	0.525	S	S	*	.	S	Bend	trans	-127.4	123.7	170.4	-80.7	178.7	161.9	168.2	-4.6	108.5	P962 V966	P962-R964 PolarHBondContact O-N 3.07Å; P962-R964 VanDerWaalsContact O-N 3.15Å; R964-V966 PolarHBondContact O-N 2.91Å
965	K	40.2	Very low	51.6	Low	130 Å²	130	114 Å²	114	57%	0.565	55%	0.548	S	S	*	.			trans	-49.4	106.1	167.8	-85.3	-172.6	176.9	179.8	0	107.9	K967	K965-K967 PolarHBondContact O-N 3.45Å
966	V	32.4	Very low	49.3	Very low	102 Å²	102	116.1 Å²	116.1	62%	0.618	56%	0.562	S	S	*	*			trans	-64.5	124.4	164.5	-175.4	0	0	0	0	104.9	R964 G968	R964-V966 PolarHBondContact O-N 2.91Å; V966-G968 PolarHBondContact O-N 3.28Å
967	K	30	Very low	46.6	Very low	196 Å²	196	114.9 Å²	114.9	85%	0.852	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.9	112.2	174.3	-95.7	-176	168.2	-174.3	0	108.6	K965	K965-K967 PolarHBondContact O-N 3.45Å
968	G	29.7	Very low	43.8	Very low	71 Å²	71	123 Å²	123	73%	0.732	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	140.8	-2.6	176.2	0	0	0	0	0	118.1	V966	V966-G968 PolarHBondContact O-N 3.28Å
969	W	26	Very low	41.2	Very low	226 Å²	226	122.1 Å²	122.1	86%	0.856	62%	0.615	S	S	*	*			trans	-111.8	91.4	174.3	-68.4	80.4	0	0	0	110.5
970	S	32.8	Very low	39	Very low	82 Å²	82	118.7 Å²	118.7	57%	0.573	61%	0.614	S	S	*	*			trans	-97.5	144.9	160.6	53.9	0	0	0	0	108.7	I972	S970-I972 PolarHBondContact O-N 3.14Å
971	Y	31.8	Very low	37.2	Very low	115 Å²	115	120.2 Å²	120.2	45%	0.451	63%	0.627	S	S	.	*			trans	-58.4	116.4	168.6	-153.9	-102.1	0	0	0	107.4	F563 P778	F563-Y971 HydrophobicContact CB-CE1 4.45Å; F563-Y971 VanDerWaalsContact CB-OH 3.3Å; F563-Y971 WeakPolarHBondContact CB-OH 3.4Å; F563-Y971 WeakPolarHBondContact CD2-OH 3.3Å; P778-Y971 HydrophobicContact CB-CE2 4.42Å; P778-Y971 VanDerWaalsContact CD-OH 3.31Å; P778-Y971 WeakPolarHBondContact CD-OH 3.25Å; P778-Y971 HydrophobicContact CG-CD1 4.49Å; P778-Y971 HydrophobicContact CG-CD2 4.22Å; P778-Y971 HydrophobicContact CG-CE1 3.98Å; P778-Y971 HydrophobicContact CG-CE2 3.69Å
972	I	32.9	Very low	35.8	Very low	107 Å²	107	128.1 Å²	128.1	55%	0.549	65%	0.65	S	S	.	*			trans	-88.5	114	176.8	-60	175.2	0	0	0	106.3	S970 L977	S970-I972 PolarHBondContact O-N 3.14Å; I972-L977 HydrophobicContact CG2-CD1 3.8Å; I972-L977 HydrophobicContact CG2-CG 4.25Å
973	D	34.5	Very low	34.9	Very low	70 Å²	70	133.4 Å²	133.4	37%	0.374	67%	0.669	S	S	.	*			trans	-53.1	123.9	170.8	-175.6	-23.2	0	0	0	109.7	T975 I976	D973-T975 PolarHBondContact O-N 3.41Å; D973-T975 VanDerWaalsContact O-N 3.09Å; D973-T975 WeakPolarHBondContact OD1-CB 3.45Å; D973-T975 WeakPolarHBondContact OD1-CG2 3.17Å; D973-T975 PolarHBondContact OD1-N 2.81Å; D973-T975 PolarHBondContact OD1-OG1 3.24Å; D973-T975 PolarHBondContact OD2-OG1 2.78Å; D973-T975 VanDerWaalsContact OD2-OG1 3.07Å; D973-I976 HydrophobicContact CB-CD1 4.01Å; D973-I976 HydrophobicContact CB-CG1 4.16Å; D973-I976 WeakPolarHBondContact O-CB 3.32Å; D973-I976 PolarHBondContact O-N 2.84Å
974	P	35.1	Very low	34.2	Very low	67 Å²	67	129.2 Å²	129.2	44%	0.435	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-56.4	-23.1	177.7	-22.6	31.4	0	0	0	113.8	I976 L977	P974-I976 PolarHBondContact O-N 2.82Å; P974-L977 PolarHBondContact O-N 3.43Å; P974-L977 VanDerWaalsContact O-N 3.07Å
975	T	40.1	Very low	33.8	Very low	106 Å²	106	126.7 Å²	126.7	65%	0.65	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-68.8	-13.7	176.4	64.5	0	0	0	0	113.3	D973	D973-T975 PolarHBondContact O-N 3.41Å; D973-T975 VanDerWaalsContact O-N 3.09Å; D973-T975 WeakPolarHBondContact OD1-CB 3.45Å; D973-T975 WeakPolarHBondContact OD1-CG2 3.17Å; D973-T975 PolarHBondContact OD1-N 2.81Å; D973-T975 PolarHBondContact OD1-OG1 3.24Å; D973-T975 PolarHBondContact OD2-OG1 2.78Å; D973-T975 VanDerWaalsContact OD2-OG1 3.07Å
976	I	45.5	Very low	33.5	Very low	116 Å²	116	126 Å²	126	60%	0.595	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-91.8	-5	175.3	-53.4	176.1	0	0	0	111.1	D973 P974	D973-I976 HydrophobicContact CB-CD1 4.01Å; D973-I976 HydrophobicContact CB-CG1 4.16Å; D973-I976 WeakPolarHBondContact O-CB 3.32Å; D973-I976 PolarHBondContact O-N 2.84Å; P974-I976 PolarHBondContact O-N 2.82Å
977	L	33.7	Very low	33.9	Very low	95 Å²	95	124.5 Å²	124.5	50%	0.497	65%	0.647	S	S	.	*			trans	-106.1	54.7	-174.6	-90.8	159.8	0	0	0	113.8	I972 P974	I972-L977 HydrophobicContact CG2-CD1 3.8Å; I972-L977 HydrophobicContact CG2-CG 4.25Å; P974-L977 PolarHBondContact O-N 3.43Å; P974-L977 VanDerWaalsContact O-N 3.07Å
978	E	30.7	Very low	34.4	Very low	177 Å²	177	119.9 Å²	119.9	83%	0.827	63%	0.631	S	S	*	*	S	Bend	trans	-151.7	131.1	144.1	-81.2	-150	154.7	0	0	109.7
979	P	33.2	Very low	35	Very low	128 Å²	128	123.6 Å²	123.6	83%	0.831	63%	0.629	S	S	*	*	S	Bend	cis	-117.3	102.7	-10.9	34.2	-16	0	0	0	110.7
980	S	34.8	Very low	36	Very low	80 Å²	80	122.3 Å²	122.3	56%	0.559	62%	0.624	S	S	*	*			trans	-155.1	68.6	167.6	49	0	0	0	0	113.9	R982	S980-R982 PolarHBondContact O-N 3.34Å
981	I	31.8	Very low	37.1	Very low	166 Å²	166	120.8 Å²	120.8	85%	0.851	61%	0.613	S	S	*	*			trans	-72.9	77.9	149.6	-58	177.8	0	0	0	107.1
982	R	34.6	Very low	38.1	Very low	185 Å²	185	123.8 Å²	123.8	70%	0.698	63%	0.632	S	S	*	*			trans	-107.2	96.6	161	-81.5	-172.8	177.2	-167.2	-2.1	107.3	S980 T984	S980-R982 PolarHBondContact O-N 3.34Å; R982-T984 PolarHBondContact O-N 3.27Å; R982-T984 PolarHBondContact O-OG1 2.7Å
983	Q	35.6	Very low	39.1	Very low	188 Å²	188	121.3 Å²	121.3	88%	0.879	62%	0.623	S	S	*	*			trans	-59.9	104.7	164.2	-93.2	-179	-17.8	0	0	108.4
984	T	33.2	Very low	40	Very low	86 Å²	86	124.7 Å²	124.7	53%	0.528	64%	0.636	S	S	.	*			trans	-99	102.2	174.4	-47.7	0	0	0	0	107.2	R982 Q986	R982-T984 PolarHBondContact O-N 3.27Å; R982-T984 PolarHBondContact O-OG1 2.7Å; T984-Q986 HydrophobicContact CG2-CG 4.36Å; T984-Q986 PolarHBondContact O-N 2.85Å
985	M	31.2	Very low	41.6	Very low	168 Å²	168	126.5 Å²	126.5	83%	0.828	64%	0.641	S	S	*	*			trans	-77.9	107.8	164.5	-71	-167.3	91.6	0	0	107.9
986	Q	35	Very low	42.8	Very low	116 Å²	116	125.6 Å²	125.6	54%	0.542	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	114.1	167.2	-90.6	178.6	-23.1	0	0	109	T984	T984-Q986 HydrophobicContact CG2-CG 4.36Å; T984-Q986 PolarHBondContact O-N 2.85Å
987	S	38.9	Very low	44.1	Very low	69 Å²	69	123.2 Å²	123.2	48%	0.483	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.5	123.4	160	59	0	0	0	0	108.6
988	I	42.1	Very low	46	Very low	100 Å²	100	123.5 Å²	123.5	51%	0.513	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.6	111.2	175	-60	173	0	0	0	107.1	R990 V1017	I988-R990 HydrophobicContact CG2-CG 4.27Å; I988-V1017 HydrophobicContact CG2-CG1 3.73Å
989	E	42	Very low	48.2	Very low	148 Å²	148	118.9 Å²	118.9	69%	0.692	60%	0.603	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.1	128.5	166.3	-78.3	-173.4	160.9	0	0	109	T1018	E989-T1018 PolarHBondContact N-O 2.86Å; E989-T1018 PolarHBondContact O-N 2.89Å; E989-T1018 VanDerWaalsContact O-N 3.13Å
990	R	45.8	Very low	50.4	Low	199 Å²	199	117.3 Å²	117.3	75%	0.751	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.6	125.3	175.3	-67.4	-175.4	173.6	170	-2.3	108.2	I988 V1017	I988-R990 HydrophobicContact CG2-CG 4.27Å; R990-V1017 HydrophobicContact CG-CG1 4.46Å; R990-V1017 HydrophobicContact CG-CG2 4.26Å
991	S	57	Low	52.5	Low	50 Å²	50	118.7 Å²	118.7	35%	0.35	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-65.8	153	170.4	58.4	0	0	0	0	111.1	E1016	S991-E1016 PolarHBondContact N-O 2.98Å; S991-E1016 WeakPolarHBondContact OG-CA 3.48Å; S991-E1016 VanDerWaalsContact OG-CB 3.3Å; S991-E1016 WeakPolarHBondContact OG-CB 3.35Å; S991-E1016 PolarHBondContact OG-N 2.98Å; S991-E1016 PolarHBondContact OG-O 2.91Å
992	E	52.9	Low	54.8	Low	179 Å²	179	113.1 Å²	113.1	84%	0.836	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-60.2	132	170.6	-76.1	-167.6	157.2	0	0	109.7	Q994	E992-Q994 PolarHBondContact O-N 2.93Å
993	P	52.9	Low	56.8	Low	55 Å²	55	113.4 Å²	113.4	36%	0.357	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-68.1	123.2	-172.1	25.2	-32.9	0	0	0	111.6	K1013 R1014	P993-K1013 HydrophobicContact CB-CD 4.07Å; P993-K1013 HydrophobicContact CB-CG 3.69Å; P993-R1014 CarbonylContact C-O 3.52Å; P993-R1014 WeakPolarHBondContact CA-O 3.5Å
994	Q	54.6	Low	58.8	Low	140 Å²	140	110.8 Å²	110.8	65%	0.654	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.2	124.7	169.3	-68.5	-166.8	-8.6	0	0	109.6	E992 R1014	E992-Q994 PolarHBondContact O-N 2.93Å; Q994-R1014 PolarHBondContact N-O 3.42Å; Q994-R1014 PolarHBondContact O-N 3.33Å
995	I	68.1	Low	60.7	Low	106 Å²	106	109.3 Å²	109.3	54%	0.544	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	102.3	-179.6	-58.6	176.5	0	0	0	107.4	I1011 K1013	I995-I1011 HydrophobicContact CG2-CG2 3.38Å; I995-K1013 HydrophobicContact CG1-CG 4.24Å
996	E	66.3	Low	62.4	Low	86 Å²	86	108.4 Å²	108.4	40%	0.402	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.6	169.5	-73.5	179.2	163.9	0	0	108.9	I1011 V1012	E996-I1011 CarbonylContact O-C 3.59Å; E996-V1012 PolarHBondContact N-O 2.85Å; E996-V1012 PolarHBondContact O-N 3.4Å
997	T	71.5	Confident	64.3	Low	66 Å²	66	108.7 Å²	108.7	41%	0.405	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114	116.9	175.4	-57.7	0	0	0	0	109.2	K1009 R1010 I1011	T997-K1009 HydrophobicContact CG2-CD 3.75Å; T997-K1009 HydrophobicContact CG2-CG 3.24Å; T997-R1010 WeakPolarHBondContact CA-O 3.31Å; T997-I1011 HydrophobicContact CG2-CG1 4.2Å
998	E	73.1	Confident	65.5	Low	102 Å²	102	108.6 Å²	108.6	48%	0.477	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.5	169.2	-66.7	179.1	163.2	0	0	109.5	K1009 R1010	E998-K1009 CarbonylContact O-C 3.24Å; E998-R1010 PolarHBondContact N-O 2.85Å; E998-R1010 PolarHBondContact O-N 3.31Å
999	T	78.3	Confident	67.1	Low	80 Å²	80	110.4 Å²	110.4	49%	0.491	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	172.1	47.5	0	0	0	0	109.4	M1007 I1008 K1009	T999-M1007 HydrophobicContact CG2-CG 4.46Å; T999-M1007 HydrophobicContact CG2-SD 4.36Å; T999-I1008 WeakPolarHBondContact CA-O 3.47Å; T999-K1009 HydrophobicContact CG2-CB 4Å; T999-K1009 HydrophobicContact CG2-CG 3.82Å
1000	F	78.7	Confident	68.3	Low	94 Å²	94	110.2 Å²	110.2	41%	0.412	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.8	173	49.4	-93.6	0	0	0	109.8	I1008 R1010	F1000-I1008 HydrophobicContact CD2-CB 3.96Å; F1000-I1008 HydrophobicContact CD2-CG2 4.42Å; F1000-I1008 HydrophobicContact CE2-CB 3.68Å; F1000-I1008 HydrophobicContact CE2-CD1 4.1Å; F1000-I1008 HydrophobicContact CE2-CG1 4.43Å; F1000-I1008 HydrophobicContact CE2-CG2 3.67Å; F1000-I1008 HydrophobicContact CZ-CB 4.22Å; F1000-I1008 HydrophobicContact CZ-CG2 3.77Å; F1000-I1008 PolarHBondContact N-O 3.38Å; F1000-I1008 PolarHBondContact O-N 3.26Å; F1000-R1010 HydrophobicContact CD1-CB 4.48Å; F1000-R1010 HydrophobicContact CE1-CB 3.56Å; F1000-R1010 HydrophobicContact CE1-CG 4.41Å; F1000-R1010 HydrophobicContact CZ-CB 4.23Å
1001	H	79.6	Confident	69.7	Low	110 Å²	110	105.7 Å²	105.7	51%	0.509	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.6	175.8	-64.6	74.6	0	0	0	108.4	G1005 K1006	H1001-G1005 PolarHBondContact CD2-O 3.29Å; H1001-K1006 WeakPolarHBondContact CA-O 3.4Å
1002	D	79.5	Confident	69.7	Low	48 Å²	48	105 Å²	105	26%	0.257	52%	0.524	S	S	.	.			trans	-71.4	175.5	171	68.3	12.8	0	0	0	111.6	N1004 G1005 K1006 I1008	D1002-N1004 PolarHBondContact O-N 3.08Å; D1002-N1004 VanDerWaalsContact OD1-C 3.32Å; D1002-N1004 WeakPolarHBondContact OD1-CA 3.26Å; D1002-N1004 WeakPolarHBondContact OD1-CB 3.24Å; D1002-N1004 PolarHBondContact OD1-N 3.29Å; D1002-G1005 PolarHBondContact O-N 2.89Å; D1002-G1005 PolarHBondContact OD1-N 2.82Å; D1002-G1005 VanDerWaalsContact OD1-N 3.13Å; D1002-K1006 PolarHBondContact N-O 3.25Å; D1002-K1006 WeakPolarHBondContact OD1-CB 3.32Å; D1002-K1006 PolarHBondContact OD1-N 3.07Å; D1002-K1006 WeakPolarHBondContact OD2-CB 3.47Å; D1002-I1008 HydrophobicContact CB-CD1 3.83Å
1003	E	76.1	Confident	70.1	Confident	191 Å²	191	103.1 Å²	103.1	89%	0.893	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-14.2	176.6	60.8	-170.2	168.6	0	0	114.3
1004	N	78	Confident	70.3	Confident	133 Å²	133	108.3 Å²	108.3	71%	0.711	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	9.9	176.6	-60.5	-54.7	0	0	0	112.9	D1002 K1006	D1002-N1004 PolarHBondContact O-N 3.08Å; D1002-N1004 VanDerWaalsContact OD1-C 3.32Å; D1002-N1004 WeakPolarHBondContact OD1-CA 3.26Å; D1002-N1004 WeakPolarHBondContact OD1-CB 3.24Å; D1002-N1004 PolarHBondContact OD1-N 3.29Å; N1004-K1006 VanDerWaalsContact C-N 3.3Å; N1004-K1006 PolarHBondContact O-N 3.41Å
1005	G	73.5	Confident	70.2	Confident	55 Å²	55	105.1 Å²	105.1	57%	0.567	52%	0.518	S	S	*	.	S	Bend	trans	74	15.3	179.3	0	0	0	0	0	114.4	H1001 D1002	H1001-G1005 PolarHBondContact CD2-O 3.29Å; D1002-G1005 PolarHBondContact O-N 2.89Å; D1002-G1005 PolarHBondContact OD1-N 2.82Å; D1002-G1005 VanDerWaalsContact OD1-N 3.13Å
1006	K	66.5	Low	69.3	Low	149 Å²	149	107 Å²	107	65%	0.648	53%	0.525	S	S	*	.			trans	-87.2	125.9	177.2	-171.7	-178.9	177.8	-178.3	0	110.3	H1001 D1002 N1004 I1008	H1001-K1006 WeakPolarHBondContact CA-O 3.4Å; D1002-K1006 PolarHBondContact N-O 3.25Å; D1002-K1006 WeakPolarHBondContact OD1-CB 3.32Å; D1002-K1006 PolarHBondContact OD1-N 3.07Å; D1002-K1006 WeakPolarHBondContact OD2-CB 3.47Å; N1004-K1006 VanDerWaalsContact C-N 3.3Å; N1004-K1006 PolarHBondContact O-N 3.41Å; K1006-I1008 PolarHBondContact O-N 2.74Å
1007	M	74.9	Confident	68.3	Low	122 Å²	122	106.3 Å²	106.3	60%	0.601	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.6	178.2	-165.2	-172.7	-60.2	0	0	110.7	T999	T999-M1007 HydrophobicContact CG2-CG 4.46Å; T999-M1007 HydrophobicContact CG2-SD 4.36Å
1008	I	64.9	Low	66.9	Low	68 Å²	68	107 Å²	107	35%	0.349	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.5	174.3	-58.6	-179.6	0	0	0	108.1	T999 F1000 D1002 K1006	T999-I1008 WeakPolarHBondContact CA-O 3.47Å; F1000-I1008 HydrophobicContact CD2-CB 3.96Å; F1000-I1008 HydrophobicContact CD2-CG2 4.42Å; F1000-I1008 HydrophobicContact CE2-CB 3.68Å; F1000-I1008 HydrophobicContact CE2-CD1 4.1Å; F1000-I1008 HydrophobicContact CE2-CG1 4.43Å; F1000-I1008 HydrophobicContact CE2-CG2 3.67Å; F1000-I1008 HydrophobicContact CZ-CB 4.22Å; F1000-I1008 HydrophobicContact CZ-CG2 3.77Å; F1000-I1008 PolarHBondContact N-O 3.38Å; F1000-I1008 PolarHBondContact O-N 3.26Å; D1002-I1008 HydrophobicContact CB-CD1 3.83Å; K1006-I1008 PolarHBondContact O-N 2.74Å
1009	K	75.5	Confident	65.3	Low	137 Å²	137	105.6 Å²	105.6	60%	0.596	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	106	178.2	-170.3	177	-175	-177.7	0	109.2	T997 E998 T999 I1011	T997-K1009 HydrophobicContact CG2-CD 3.75Å; T997-K1009 HydrophobicContact CG2-CG 3.24Å; E998-K1009 CarbonylContact O-C 3.24Å; T999-K1009 HydrophobicContact CG2-CB 4Å; T999-K1009 HydrophobicContact CG2-CG 3.82Å; K1009-I1011 HydrophobicContact CG-CG1 4.46Å
1010	R	67.3	Low	63.5	Low	145 Å²	145	105.1 Å²	105.1	55%	0.547	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.2	172.8	-177	-174.9	-170.5	-175.4	5	109.3	T997 E998 F1000 V1012	T997-R1010 WeakPolarHBondContact CA-O 3.31Å; E998-R1010 PolarHBondContact N-O 2.85Å; E998-R1010 PolarHBondContact O-N 3.31Å; F1000-R1010 HydrophobicContact CD1-CB 4.48Å; F1000-R1010 HydrophobicContact CE1-CB 3.56Å; F1000-R1010 HydrophobicContact CE1-CG 4.41Å; F1000-R1010 HydrophobicContact CZ-CB 4.23Å; R1010-V1012 HydrophobicContact CG-CG2 3.99Å
1011	I	74	Confident	61.6	Low	103 Å²	103	107.3 Å²	107.3	53%	0.528	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.7	174.5	-59	175.5	0	0	0	107.5	I995 E996 T997 K1009	I995-I1011 HydrophobicContact CG2-CG2 3.38Å; E996-I1011 CarbonylContact O-C 3.59Å; T997-I1011 HydrophobicContact CG2-CG1 4.2Å; K1009-I1011 HydrophobicContact CG-CG1 4.46Å
1012	V	58.1	Low	59.4	Low	36 Å²	36	107 Å²	107	22%	0.218	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113.3	176	-174.9	0	0	0	0	108	E996 R1010 R1014	E996-V1012 PolarHBondContact N-O 2.85Å; E996-V1012 PolarHBondContact O-N 3.4Å; R1010-V1012 HydrophobicContact CG-CG2 3.99Å; V1012-R1014 HydrophobicContact CG1-CG 4.17Å
1013	K	60.7	Low	57.2	Low	139 Å²	139	109.3 Å²	109.3	60%	0.604	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.6	107.1	176.1	-167.4	172.9	-177.4	178.5	0	108.5	P993 I995	P993-K1013 HydrophobicContact CB-CD 4.07Å; P993-K1013 HydrophobicContact CB-CG 3.69Å; I995-K1013 HydrophobicContact CG1-CG 4.24Å
1014	R	56.3	Low	55.2	Low	165 Å²	165	105.1 Å²	105.1	62%	0.623	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.4	173.8	-69.8	-176.7	178.9	178.1	2.6	108.6	P993 Q994 V1012	P993-R1014 CarbonylContact C-O 3.52Å; P993-R1014 WeakPolarHBondContact CA-O 3.5Å; Q994-R1014 PolarHBondContact N-O 3.42Å; Q994-R1014 PolarHBondContact O-N 3.33Å; V1012-R1014 HydrophobicContact CG1-CG 4.17Å
1015	S	53.5	Low	53	Low	72 Å²	72	106.1 Å²	106.1	50%	0.503	55%	0.549	S	S	.	.			trans	-119	123.9	169.3	57	0	0	0	0	108.4
1016	E	49.3	Very low	50.9	Low	146 Å²	146	114 Å²	114	68%	0.682	56%	0.562	S	S	*	*			trans	-87.8	126	176.5	-151.4	170.7	-161.6	0	0	108.7	S991	S991-E1016 PolarHBondContact N-O 2.98Å; S991-E1016 WeakPolarHBondContact OG-CA 3.48Å; S991-E1016 VanDerWaalsContact OG-CB 3.3Å; S991-E1016 WeakPolarHBondContact OG-CB 3.35Å; S991-E1016 PolarHBondContact OG-N 2.98Å; S991-E1016 PolarHBondContact OG-O 2.91Å
1017	V	44.8	Very low	49	Very low	71 Å²	71	114 Å²	114	43%	0.43	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	106.7	179.2	-177.1	0	0	0	0	107.8	I988 R990	I988-V1017 HydrophobicContact CG2-CG1 3.73Å; R990-V1017 HydrophobicContact CG-CG1 4.46Å; R990-V1017 HydrophobicContact CG-CG2 4.26Å
1018	T	43.3	Very low	46.9	Very low	81 Å²	81	114.6 Å²	114.6	50%	0.497	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.9	112.9	176.5	-49.8	0	0	0	0	108.2	E989	E989-T1018 PolarHBondContact N-O 2.86Å; E989-T1018 PolarHBondContact O-N 2.89Å; E989-T1018 VanDerWaalsContact O-N 3.13Å
1019	T	38.3	Very low	45	Very low	73 Å²	73	115.2 Å²	115.2	45%	0.448	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	102.8	175.7	-53.5	0	0	0	0	108.9	K1021	T1019-K1021 PolarHBondContact O-N 3.43Å
1020	T	41.7	Very low	42.9	Very low	69 Å²	69	113.7 Å²	113.7	42%	0.423	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.1	107	175.7	-47.3	0	0	0	0	109
1021	K	37.1	Very low	41.1	Very low	141 Å²	141	113 Å²	113	61%	0.613	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.2	106.9	166.9	-85.4	-175.1	176.4	178.9	0	108.6	T1019 V1023	T1019-K1021 PolarHBondContact O-N 3.43Å; K1021-V1023 PolarHBondContact O-N 2.92Å
1022	T	34.9	Very low	39.2	Very low	103 Å²	103	114.5 Å²	114.5	63%	0.632	62%	0.62	S	S	*	*			trans	-84.1	104	167.7	-51.6	0	0	0	0	107.9	S1024	T1022-S1024 PolarHBondContact O-N 3Å
1023	V	32.7	Very low	37.9	Very low	97 Å²	97	116.4 Å²	116.4	59%	0.588	65%	0.647	S	S	*	*			trans	-87.6	98.1	169.4	-177.6	0	0	0	0	107	K1021 E1025	K1021-V1023 PolarHBondContact O-N 2.92Å; V1023-E1025 VanDerWaalsContact C-N 3.31Å; V1023-E1025 HydrophobicContact CG1-CG 4.06Å; V1023-E1025 PolarHBondContact O-N 3.05Å; V1023-E1025 VanDerWaalsContact O-N 3.1Å
1024	S	33.2	Very low	36.6	Very low	103 Å²	103	119 Å²	119	72%	0.72	66%	0.661	S	S	*	*			trans	-77.6	88.2	165.1	57.7	0	0	0	0	108.3	T1022 R1026	T1022-S1024 PolarHBondContact O-N 3Å; S1024-R1026 VanDerWaalsContact C-N 3.35Å; S1024-R1026 PolarHBondContact O-N 2.96Å
1025	E	32.5	Very low	35.5	Very low	154 Å²	154	117.9 Å²	117.9	72%	0.72	67%	0.666	S	S	*	*			trans	-68.8	98.4	160.9	-87.8	-176.8	173.9	0	0	108	V1023 I1027	V1023-E1025 VanDerWaalsContact C-N 3.31Å; V1023-E1025 HydrophobicContact CG1-CG 4.06Å; V1023-E1025 PolarHBondContact O-N 3.05Å; V1023-E1025 VanDerWaalsContact O-N 3.1Å; E1025-I1027 PolarHBondContact O-N 3.15Å
1026	R	29.5	Very low	34.7	Very low	219 Å²	219	121 Å²	121	83%	0.826	68%	0.682	S	S	*	*			trans	-78.3	102.6	158.1	-152	178.1	-166.4	-177.5	3.4	105.9	S1024 I1028	S1024-R1026 VanDerWaalsContact C-N 3.35Å; S1024-R1026 PolarHBondContact O-N 2.96Å; R1026-I1028 PolarHBondContact O-N 3.02Å
1027	I	27.1	Very low	33.9	Very low	149 Å²	149	121.8 Å²	121.8	76%	0.764	69%	0.685	S	S	*	*			trans	-57.6	95	162.7	-60.4	171.1	0	0	0	106.3	E1025	E1025-I1027 PolarHBondContact O-N 3.15Å
1028	I	29.7	Very low	33.3	Very low	135 Å²	135	124.2 Å²	124.2	69%	0.692	70%	0.7	S	S	*	*			trans	-88.2	102.6	158	-60.5	178.8	0	0	0	103.7	R1026 S1030	R1026-I1028 PolarHBondContact O-N 3.02Å; I1028-S1030 VanDerWaalsContact C-N 3.28Å; I1028-S1030 PolarHBondContact O-N 3.01Å
1029	A	26.2	Very low	32.9	Very low	81 Å²	81	128 Å²	128	67%	0.669	72%	0.717	S	S	*	*			trans	-58	94.2	167.5	0	0	0	0	0	108.7	T1031	A1029-T1031 PolarHBondContact O-N 3.24Å
1030	S	31.2	Very low	32.5	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	73%	0.73	S	S	*	*			trans	-74.9	102.4	163.7	56.5	0	0	0	0	107.5	I1028 T1032	I1028-S1030 VanDerWaalsContact C-N 3.28Å; I1028-S1030 PolarHBondContact O-N 3.01Å; S1030-T1032 PolarHBondContact O-N 2.73Å
1031	T	28.6	Very low	32.3	Very low	131 Å²	131	133.1 Å²	133.1	80%	0.804	75%	0.75	S	S	*	*			trans	-80.4	95.4	169.9	-53.7	0	0	0	0	108.1	A1029	A1029-T1031 PolarHBondContact O-N 3.24Å
1032	T	34.8	Very low	32.1	Very low	135 Å²	135	132.1 Å²	132.1	83%	0.828	76%	0.757	S	S	*	*			trans	173.8	116.3	153.4	25	0	0	0	0	106.4	S1030	S1030-T1032 PolarHBondContact O-N 2.73Å
1033	G	29.6	Very low	32	Very low	76 Å²	76	133 Å²	133	78%	0.784	76%	0.757	S	S	*	*			cis	102.8	48.7	26.7	0	0	0	0	0	111.7
1034	Q	34	Very low	32.1	Very low	193 Å²	193	132.2 Å²	132.2	90%	0.902	76%	0.756	S	S	*	*			trans	-144.2	107.3	157.6	-91.5	-166.7	-17.9	0	0	110.4
1035	I	33.6	Very low	32.5	Very low	141 Å²	141	132.9 Å²	132.9	72%	0.723	76%	0.76	S	S	*	*			trans	-90.7	123.6	170.6	-67.4	171.5	0	0	0	107.2	H1037	I1035-H1037 HydrophobicContact CG2-CB 4.36Å; I1035-H1037 WeakPolarHBondContact CG2-CD2 3.41Å
1036	V	36.4	Very low	33	Very low	139 Å²	139	131.2 Å²	131.2	84%	0.842	76%	0.757	S	S	*	*			trans	-99	112.5	158.8	176	0	0	0	0	106.3
1037	H	32.4	Very low	33.8	Very low	162 Å²	162	123.5 Å²	123.5	75%	0.75	73%	0.732	S	S	*	*			trans	-120.8	128.7	165	-85	-57.3	0	0	0	109.5	I1035	I1035-H1037 HydrophobicContact CG2-CB 4.36Å; I1035-H1037 WeakPolarHBondContact CG2-CD2 3.41Å
1038	T	32.5	Very low	34.6	Very low	122 Å²	122	124.4 Å²	124.4	75%	0.748	73%	0.731	S	S	*	*			trans	-164.7	129.7	139.1	46.9	0	0	0	0	105.3
1039	N	34.8	Very low	35.5	Very low	160 Å²	160	123.2 Å²	123.2	86%	0.856	73%	0.726	S	S	*	*			cis	-149.4	157.9	35	-77.1	-49.5	0	0	0	111.4
1040	G	30.2	Very low	36.9	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	72%	0.723	S	S	*	*			trans	-92.8	163.3	-159	0	0	0	0	0	118.7
1041	H	36.6	Very low	38.4	Very low	181 Å²	181	126.2 Å²	126.2	84%	0.838	72%	0.718	S	S	*	*			trans	-166.9	151.4	138	-99.2	-67.2	0	0	0	107.4
1042	P	33.3	Very low	39.7	Very low	119 Å²	119	124.2 Å²	124.2	77%	0.773	70%	0.702	S	S	*	*			trans	-85.5	121.3	-172.2	32.9	-27.7	0	0	0	109.6
1043	I	32.6	Very low	40.8	Very low	121 Å²	121	122.2 Å²	122.2	62%	0.621	69%	0.686	S	S	*	*			trans	-131.8	138.6	172.2	-45.7	176.9	0	0	0	110.4	D1047	I1043-D1047 WeakPolarHBondContact CB-OD2 3.45Å; I1043-D1047 WeakPolarHBondContact CG2-OD2 3.38Å
1044	S	36.2	Very low	42.2	Very low	81 Å²	81	123.7 Å²	123.7	57%	0.566	67%	0.674	S	S	*	*			trans	-54	160.2	-175.4	52.6	0	0	0	0	113.6	N1046 D1047	S1044-N1046 PolarHBondContact O-N 3.46Å; S1044-D1047 PolarHBondContact O-N 3.08Å
1045	S	40	Very low	43.5	Very low	117 Å²	117	117 Å²	117	82%	0.818	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	19.3	-176	58.9	0	0	0	0	117.5
1046	N	43.2	Very low	44.3	Very low	119 Å²	119	114.7 Å²	114.7	64%	0.636	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-10.6	179.4	-70.7	-0.1	0	0	0	113.6	S1044	S1044-N1046 PolarHBondContact O-N 3.46Å
1047	D	46.6	Very low	45.2	Very low	57 Å²	57	110.8 Å²	110.8	31%	0.305	61%	0.614	S	S	.	*	H	α-helix	trans	-83	-22.2	-176.2	-81.6	14	0	0	0	114.1	I1043 S1044 D1049 E1050 D1051	I1043-D1047 WeakPolarHBondContact CB-OD2 3.45Å; I1043-D1047 WeakPolarHBondContact CG2-OD2 3.38Å; S1044-D1047 PolarHBondContact O-N 3.08Å; D1047-D1049 VanDerWaalsContact C-N 3.35Å; D1047-D1049 PolarHBondContact O-N 2.83Å; D1047-E1050 PolarHBondContact O-N 3.25Å; D1047-D1051 PolarHBondContact O-N 3Å
1048	F	44.8	Very low	46.6	Very low	169 Å²	169	107.9 Å²	107.9	74%	0.741	61%	0.608	S	S	*	*	H	α-helix	trans	-69.6	-33.3	-176.5	-159.8	-92.6	0	0	0	112.7	L1052	F1048-L1052 VanDerWaalsContact O-CB 3.28Å; F1048-L1052 WeakPolarHBondContact O-CB 3.48Å; F1048-L1052 PolarHBondContact O-N 3.06Å; F1048-L1052 VanDerWaalsContact O-N 3.15Å
1049	D	48.5	Very low	47.5	Very low	110 Å²	110	108 Å²	108	59%	0.588	61%	0.609	S	S	*	*	H	α-helix	trans	-76.4	-26.8	176.1	-77.1	-23.8	0	0	0	111.9	D1047 N1053	D1047-D1049 VanDerWaalsContact C-N 3.35Å; D1047-D1049 PolarHBondContact O-N 2.83Å; D1049-N1053 VanDerWaalsContact O-CB 3.3Å; D1049-N1053 WeakPolarHBondContact O-CB 3.21Å; D1049-N1053 PolarHBondContact O-N 2.71Å; D1049-N1053 PolarHBondContact O-ND2 3.24Å
1050	E	55.8	Low	48.4	Very low	131 Å²	131	103.6 Å²	103.6	61%	0.612	59%	0.587	S	S	*	*	H	α-helix	trans	-78.5	-41.1	178.7	-138.4	165.4	-157.6	0	0	111.4	D1047 N1053 M1054	D1047-E1050 PolarHBondContact O-N 3.25Å; E1050-N1053 PolarHBondContact O-N 3.46Å; E1050-M1054 WeakPolarHBondContact O-CB 3.28Å; E1050-M1054 PolarHBondContact O-N 3Å
1051	D	61.4	Low	49.6	Very low	117 Å²	117	109.5 Å²	109.5	63%	0.626	59%	0.593	S	S	*	*	H	α-helix	trans	-65.8	-37.1	171.9	-85.7	-18.5	0	0	0	112.3	D1047 A1055	D1047-D1051 PolarHBondContact O-N 3Å; D1051-A1055 VanDerWaalsContact O-CB 3.28Å; D1051-A1055 WeakPolarHBondContact O-CB 3.29Å; D1051-A1055 PolarHBondContact O-N 2.84Å
1052	L	55.4	Low	49.9	Very low	89 Å²	89	106.1 Å²	106.1	47%	0.466	58%	0.581	S	S	.	*	H	α-helix	trans	-67.6	-41.2	174.8	-174.7	64.5	0	0	0	111.6	F1048 A1055 L1056	F1048-L1052 VanDerWaalsContact O-CB 3.28Å; F1048-L1052 WeakPolarHBondContact O-CB 3.48Å; F1048-L1052 PolarHBondContact O-N 3.06Å; F1048-L1052 VanDerWaalsContact O-N 3.15Å; L1052-A1055 PolarHBondContact O-N 3.39Å; L1052-L1056 HydrophobicContact CG-CD1 4.23Å; L1052-L1056 WeakPolarHBondContact O-CB 3.49Å; L1052-L1056 WeakPolarHBondContact O-CG 3.38Å; L1052-L1056 PolarHBondContact O-N 3.21Å
1053	N	58	Low	50.8	Low	93 Å²	93	105.4 Å²	105.4	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-67.5	-38.7	175.4	-85.3	-28.4	0	0	0	112.2	D1049 E1050 L1056 L1057	D1049-N1053 VanDerWaalsContact O-CB 3.3Å; D1049-N1053 WeakPolarHBondContact O-CB 3.21Å; D1049-N1053 PolarHBondContact O-N 2.71Å; D1049-N1053 PolarHBondContact O-ND2 3.24Å; E1050-N1053 PolarHBondContact O-N 3.46Å; N1053-L1056 PolarHBondContact O-N 3.15Å; N1053-L1057 WeakPolarHBondContact O-CB 3.4Å; N1053-L1057 WeakPolarHBondContact O-CD1 3.45Å; N1053-L1057 PolarHBondContact O-N 3.09Å
1054	M	60.7	Low	51.4	Low	108 Å²	108	104.5 Å²	104.5	53%	0.532	57%	0.573	S	S	.	*	H	α-helix	trans	-68.1	-38.9	174.9	-86.4	-62.6	-60	0	0	112.5	E1050 L1056 L1057 T1058	E1050-M1054 WeakPolarHBondContact O-CB 3.28Å; E1050-M1054 PolarHBondContact O-N 3Å; M1054-L1056 VanDerWaalsContact C-N 3.34Å; M1054-L1057 PolarHBondContact O-N 2.76Å; M1054-L1057 HydrophobicContact SD-CD1 4.41Å; M1054-T1058 WeakPolarHBondContact O-CB 3.2Å; M1054-T1058 PolarHBondContact O-N 3.45Å; M1054-T1058 PolarHBondContact O-OG1 2.75Å
1055	A	60.6	Low	52	Low	53 Å²	53	107.8 Å²	107.8	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-40.4	172.5	0	0	0	0	0	111.4	D1051 L1052 T1058 V1059	D1051-A1055 VanDerWaalsContact O-CB 3.28Å; D1051-A1055 WeakPolarHBondContact O-CB 3.29Å; D1051-A1055 PolarHBondContact O-N 2.84Å; L1052-A1055 PolarHBondContact O-N 3.39Å; A1055-T1058 PolarHBondContact O-N 2.78Å; A1055-V1059 WeakPolarHBondContact O-CB 3.41Å; A1055-V1059 VanDerWaalsContact O-CG2 3.24Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.35Å; A1055-V1059 PolarHBondContact O-N 2.78Å
1056	L	49.6	Very low	52	Low	91 Å²	91	107.9 Å²	107.9	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-45	174.1	-85.3	160.3	0	0	0	112.1	L1052 N1053 M1054 T1058 V1059 T1060	L1052-L1056 HydrophobicContact CG-CD1 4.23Å; L1052-L1056 WeakPolarHBondContact O-CB 3.49Å; L1052-L1056 WeakPolarHBondContact O-CG 3.38Å; L1052-L1056 PolarHBondContact O-N 3.21Å; N1053-L1056 PolarHBondContact O-N 3.15Å; M1054-L1056 VanDerWaalsContact C-N 3.34Å; L1056-T1058 VanDerWaalsContact C-N 3.34Å; L1056-T1058 PolarHBondContact O-N 2.8Å; L1056-V1059 PolarHBondContact O-N 2.7Å; L1056-T1060 VanDerWaalsContact O-CB 3.27Å; L1056-T1060 WeakPolarHBondContact O-CB 3.4Å; L1056-T1060 VanDerWaalsContact O-CG2 3.25Å; L1056-T1060 WeakPolarHBondContact O-CG2 3.29Å; L1056-T1060 PolarHBondContact O-N 3.11Å; L1056-T1060 PolarHBondContact O-OG1 3.16Å
1057	L	55.3	Low	51.6	Low	58 Å²	58	107.7 Å²	107.7	30%	0.304	58%	0.582	S	S	.	*	H	α-helix	trans	-61.2	-41	175.1	-85.7	153.4	0	0	0	112	N1053 M1054 K1061 L1062	N1053-L1057 WeakPolarHBondContact O-CB 3.4Å; N1053-L1057 WeakPolarHBondContact O-CD1 3.45Å; N1053-L1057 PolarHBondContact O-N 3.09Å; M1054-L1057 PolarHBondContact O-N 2.76Å; M1054-L1057 HydrophobicContact SD-CD1 4.41Å; L1057-K1061 WeakPolarHBondContact O-CA 3.46Å; L1057-K1061 PolarHBondContact O-N 2.96Å; L1057-L1062 VanDerWaalsContact CD2-O 3.24Å; L1057-L1062 WeakPolarHBondContact CD2-O 3.49Å
1058	T	62.6	Low	51	Low	100 Å²	100	110.4 Å²	110.4	61%	0.613	60%	0.6	S	S	*	*	H	α-helix	trans	-68.9	-38.3	-179.5	-52.4	0	0	0	0	111.9	M1054 A1055 L1056	M1054-T1058 WeakPolarHBondContact O-CB 3.2Å; M1054-T1058 PolarHBondContact O-N 3.45Å; M1054-T1058 PolarHBondContact O-OG1 2.75Å; A1055-T1058 PolarHBondContact O-N 2.78Å; L1056-T1058 VanDerWaalsContact C-N 3.34Å; L1056-T1058 PolarHBondContact O-N 2.8Å
1059	V	52.2	Low	50.4	Low	126 Å²	126	109.8 Å²	109.8	76%	0.764	60%	0.604	S	S	*	*	H	α-helix	trans	-78.9	-31.8	179.1	173.6	0	0	0	0	111.9	A1055 L1056	A1055-V1059 WeakPolarHBondContact O-CB 3.41Å; A1055-V1059 VanDerWaalsContact O-CG2 3.24Å; A1055-V1059 WeakPolarHBondContact O-CG2 3.35Å; A1055-V1059 PolarHBondContact O-N 2.78Å; L1056-V1059 PolarHBondContact O-N 2.7Å
1060	T	53.7	Low	49.7	Very low	66 Å²	66	111.6 Å²	111.6	41%	0.405	61%	0.614	S	S	.	*	H	α-helix	trans	-97.9	-14.1	-174	62.2	0	0	0	0	114.9	L1056 L1062	L1056-T1060 VanDerWaalsContact O-CB 3.27Å; L1056-T1060 WeakPolarHBondContact O-CB 3.4Å; L1056-T1060 VanDerWaalsContact O-CG2 3.25Å; L1056-T1060 WeakPolarHBondContact O-CG2 3.29Å; L1056-T1060 PolarHBondContact O-N 3.11Å; L1056-T1060 PolarHBondContact O-OG1 3.16Å; T1060-L1062 PolarHBondContact O-N 2.77Å
1061	K	54.3	Low	48.6	Very low	193 Å²	193	112.1 Å²	112.1	84%	0.839	62%	0.62	S	S	*	*			trans	51	36.2	-175.1	-62.5	-168.3	177	-175.4	0	114	L1057	L1057-K1061 WeakPolarHBondContact O-CA 3.46Å; L1057-K1061 PolarHBondContact O-N 2.96Å
1062	L	43.4	Very low	47.3	Very low	110 Å²	110	112.3 Å²	112.3	58%	0.576	63%	0.628	S	S	*	*			trans	-85.7	155.7	176.1	-73	165.4	0	0	0	111.5	L1057 T1060	L1057-L1062 VanDerWaalsContact CD2-O 3.24Å; L1057-L1062 WeakPolarHBondContact CD2-O 3.49Å; T1060-L1062 PolarHBondContact O-N 2.77Å
1063	D	52.5	Low	46.4	Very low	104 Å²	104	115.1 Å²	115.1	56%	0.556	65%	0.649	S	S	*	*			trans	-66.4	128.8	-176.4	-158.1	-21	0	0	0	111.1	D1065 I1066	D1063-D1065 PolarHBondContact O-N 2.99Å; D1063-I1066 PolarHBondContact O-N 3.05Å
1064	P	45.7	Very low	45.4	Very low	103 Å²	103	114.2 Å²	114.2	67%	0.669	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-7.1	-174	20.4	-33.5	0	0	0	116.5
1065	D	48.9	Very low	44.1	Very low	150 Å²	150	118.8 Å²	118.8	80%	0.802	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	5.1	179	-73.6	-22.6	0	0	0	114.5	D1063	D1063-D1065 PolarHBondContact O-N 2.99Å
1066	I	38.4	Very low	42.8	Very low	119 Å²	119	122.3 Å²	122.3	61%	0.61	70%	0.697	S	S	*	*			trans	-98.5	103.7	-179.4	-57.4	178.6	0	0	0	111.1	D1063	D1063-I1066 PolarHBondContact O-N 3.05Å
1067	S	35.2	Very low	41.9	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	72%	0.718	S	S	*	*			trans	-79.7	128.5	171.7	53.1	0	0	0	0	111.7
1068	V	33.2	Very low	40.6	Very low	114 Å²	114	132.3 Å²	132.3	69%	0.691	74%	0.743	S	S	*	*			trans	-103.5	113.6	177.6	-179.7	0	0	0	0	109.2
1069	L	33.3	Very low	39.2	Very low	156 Å²	156	130.6 Å²	130.6	82%	0.817	75%	0.745	S	S	*	*			trans	-85.2	110.2	178.1	-141.1	109.7	0	0	0	109.8
1070	N	33.8	Very low	38.2	Very low	149 Å²	149	131.4 Å²	131.4	80%	0.797	75%	0.751	S	S	*	*			trans	-87.1	112.2	174.1	-82.9	-22	0	0	0	110.5
1071	N	33.7	Very low	37.1	Very low	141 Å²	141	138 Å²	138	75%	0.754	77%	0.774	S	S	*	*			trans	-100.3	126.1	167.6	-110.3	-4.8	0	0	0	109.6
1072	P	34	Very low	35.9	Very low	121 Å²	121	133.9 Å²	133.9	79%	0.786	77%	0.769	S	S	*	*			trans	-90.6	123.7	177.4	33.8	-28.2	0	0	0	110.6
1073	V	35.2	Very low	35.4	Very low	149 Å²	149	137 Å²	137	90%	0.903	78%	0.781	S	S	*	*			trans	-139.7	120.3	164.8	-176.7	0	0	0	0	106.7
1074	G	36.7	Very low	34.4	Very low	73 Å²	73	137 Å²	137	75%	0.753	79%	0.789	S	S	*	*			cis	-172.8	145.4	-2.2	0	0	0	0	0	107.8
1075	Q	33.2	Very low	33.6	Very low	205 Å²	205	138 Å²	138	96%	0.958	79%	0.793	S	S	*	*			trans	-82.9	149.2	170.1	-94.4	-176.7	-18.2	0	0	111.1
1076	V	33.5	Very low	32.8	Very low	126 Å²	126	142.3 Å²	142.3	76%	0.764	82%	0.815	S	S	*	*			trans	-57.5	143.6	-179.3	175.3	0	0	0	0	113	I1078	V1076-I1078 HydrophobicContact CG1-CG1 4.45Å
1077	E	31.7	Very low	32.5	Very low	195 Å²	195	143.5 Å²	143.5	91%	0.911	83%	0.825	S	S	*	*			trans	-147.3	126.7	144.9	-116.3	175.4	-159.5	0	0	112.6
1078	I	28.7	Very low	32.4	Very low	164 Å²	164	145.1 Å²	145.1	84%	0.841	83%	0.827	S	S	*	*			trans	-90	120.1	172.6	-66.7	169.6	0	0	0	106.6	V1076	V1076-I1078 HydrophobicContact CG1-CG1 4.45Å
1079	G	31.6	Very low	32.3	Very low	64 Å²	64	146.8 Å²	146.8	66%	0.66	83%	0.834	S	S	*	*			trans	-158.7	93.3	176.3	0	0	0	0	0	112.8
1080	T	31.5	Very low	32.3	Very low	143 Å²	143	146.2 Å²	146.2	88%	0.877	84%	0.835	S	S	*	*			trans	33.7	121.1	147.3	52.8	0	0	0	0	121.3
1081	K	31.2	Very low	32.2	Very low	204 Å²	204	146.1 Å²	146.1	89%	0.887	84%	0.838	S	S	*	*			trans	-40	145.6	168.3	-71.7	178.1	172.4	-179.5	0	115.8
1082	S	29	Very low	32.1	Very low	107 Å²	107	146.4 Å²	146.4	75%	0.748	84%	0.843	S	S	*	*				172.4	150.8	95.5	41.4	0	0	0	0	113.3
1083	E	32.2	Very low	32	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	85%	0.847	S	S	*	*			trans	72.4	109.5	160	-70.7	177.7	179.1	0	0	118.9
1084	S	31.7	Very low	31.7	Very low	103 Å²	103	148.2 Å²	148.2	72%	0.72	84%	0.843	S	S	*	*				75.2	131.1	93.8	91.3	0	0	0	0	111.6
1085	V	29.7	Very low	31.3	Very low	124 Å²	124	154.4 Å²	154.4	75%	0.752	85%	0.851	S	S	*	*			cis	-167.2	155.4	31.9	157.7	0	0	0	0	107.7
1086	L	31.6	Very low	31.1	Very low	242 Å²	242	149.8 Å²	149.8	100%	1.267	84%	0.841	S	S	*	*			trans	91.5	0	169.4	-81.5	157.6	0	0	0	118.2

Retrieved 1,086 of 1,086 residues in 1202.1 ms (Link to these results)

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